A0A087XF98_POEFO Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A087XF98, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 996 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
1M79.2Confident89.5Confident32 Ų3262.3 Ų62.316%0.15831%0.307CS..  093.70176.2177.1174.800106.3A4 K7 V12 Y15 F16 V224M1-A4 HydrophobicContact CG-CB 4.24Å; M1-A4 HydrophobicContact SD-CB 4.49Å; M1-K7 HydrophobicContact CE-CB 3.65Å; M1-K7 HydrophobicContact CE-CD 4.27Å; M1-K7 HydrophobicContact CE-CG 3.43Å; M1-K7 VanDerWaalsContact CE-CG 3.43Å; M1-V12 HydrophobicContact CE-CG2 3.74Å; M1-V12 HydrophobicContact SD-CG1 4.49Å; M1-V12 HydrophobicContact SD-CG2 4.22Å; M1-Y15 HydrophobicContact CB-CD1 4.11Å; M1-Y15 HydrophobicContact CB-CE1 3.83Å; M1-Y15 HydrophobicContact CG-CD1 4.31Å; M1-Y15 HydrophobicContact CG-CE1 4.36Å; M1-Y15 HydrophobicContact CG-CG 4.49Å; M1-Y15 HydrophobicContact SD-CD1 3.72Å; M1-Y15 HydrophobicContact SD-CD2 4.28Å; M1-Y15 HydrophobicContact SD-CE1 4.35Å; M1-Y15 HydrophobicContact SD-CG 3.69Å; M1-F16 HydrophobicContact CB-CE2 4.04Å; M1-F16 HydrophobicContact CB-CZ 3.95Å; M1-F16 HydrophobicContact SD-CE2 4.04Å; M1-V224 PolarHBondContact N-O 2.95Å; M1-V224 VanDerWaalsContact N-O 3.14Å
2E75.2Confident89.8Confident181 Ų18157.1 Ų57.185%0.84628%0.282SS*.THydrogen-bonded Turntrans-65.6-44.7-164.1-70.3174.7-179.500113.6A4E2-A4 VanDerWaalsContact C-N 3.28Å; E2-A4 PolarHBondContact O-N 3.32Å
3N88.8Confident90Very high80 Ų8055.5 Ų55.543%0.42827%0.271SS..THydrogen-bonded Turntrans-90.937.6-178.9-67.5-35.1000113.5H5 T6N3-H5 PolarHBondContact O-N 2.82Å; N3-T6 HydrophobicContact CB-CG2 4.42Å; N3-T6 PolarHBondContact O-N 3.29Å; N3-T6 VanDerWaalsContact O-N 3.07Å; N3-T6 PolarHBondContact O-OG1 2.64Å
4A91.6Very high90.2Very high0 Ų057.6 Ų57.60%029%0.294CS..G310 helixtrans-61-25.2-177.100000113.7M1 E2 T6 K7 R164 M207 V224M1-A4 HydrophobicContact CG-CB 4.24Å; M1-A4 HydrophobicContact SD-CB 4.49Å; E2-A4 VanDerWaalsContact C-N 3.28Å; E2-A4 PolarHBondContact O-N 3.32Å; A4-T6 VanDerWaalsContact C-N 3.26Å; A4-T6 PolarHBondContact O-N 2.97Å; A4-K7 PolarHBondContact O-N 2.7Å; A4-R164 HydrophobicContact CB-CB 4.4Å; A4-R164 WeakPolarHBondContact O-CD 3.46Å; A4-R164 PolarHBondContact O-NE 3.48Å; A4-M207 HydrophobicContact CB-SD 4.35Å; A4-V224 HydrophobicContact CB-CB 4Å; A4-V224 HydrophobicContact CB-CG1 3.65Å; A4-V224 HydrophobicContact CB-CG2 4.08Å
5H91.4Very high90.4Very high4 Ų462.5 Ų62.52%0.01931%0.309CS..G310 helixtrans-65.2-28.6175.865.9-73.3000112.8N3 K7 V194 D196 K204 N206 M207N3-H5 PolarHBondContact O-N 2.82Å; H5-K7 VanDerWaalsContact C-N 3.26Å; H5-K7 PolarHBondContact O-N 2.93Å; H5-V194 PolarHBondContact O-N 2.94Å; H5-D196 PolarHBondContact CD2-O 3.4Å; H5-D196 PolarHBondContact NE2-O 2.96Å; H5-K204 HydrophobicContact CB-CB 4.44Å; H5-K204 HydrophobicContact CB-CD 4.48Å; H5-K204 HydrophobicContact CB-CG 4.04Å; H5-N206 WeakPolarHBondContact CA-OD1 3.38Å; H5-N206 WeakPolarHBondContact CB-OD1 3.24Å; H5-N206 PolarHBondContact O-ND2 3.05Å; H5-M207 HydrophobicContact CB-CG 3.81Å; H5-M207 HydrophobicContact CB-SD 4.26Å
6T92.7Very high90.4Very high33 Ų3359.3 Ų59.320%0.20229%0.292CS..G310 helixtrans-79-10.717865.50000114.2N3 A4 P193 V194 P197N3-T6 HydrophobicContact CB-CG2 4.42Å; N3-T6 PolarHBondContact O-N 3.29Å; N3-T6 VanDerWaalsContact O-N 3.07Å; N3-T6 PolarHBondContact O-OG1 2.64Å; A4-T6 VanDerWaalsContact C-N 3.26Å; A4-T6 PolarHBondContact O-N 2.97Å; T6-P193 WeakPolarHBondContact O-CB 3.28Å; T6-V194 VanDerWaalsContact CA-O 3.25Å; T6-V194 WeakPolarHBondContact CA-O 3.21Å; T6-V194 WeakPolarHBondContact CG2-O 3.49Å; T6-P197 HydrophobicContact CG2-CB 4.17Å
7K93.7Very high90.3Very high79 Ų7961.5 Ų61.534%0.34331%0.314SS..SBendtrans-101.9147.8-166.6-62.7-71-177.1-176.60111.2M1 A4 H5 E11 V12 R164M1-K7 HydrophobicContact CE-CB 3.65Å; M1-K7 HydrophobicContact CE-CD 4.27Å; M1-K7 HydrophobicContact CE-CG 3.43Å; M1-K7 VanDerWaalsContact CE-CG 3.43Å; A4-K7 PolarHBondContact O-N 2.7Å; H5-K7 VanDerWaalsContact C-N 3.26Å; H5-K7 PolarHBondContact O-N 2.93Å; K7-E11 VanDerWaalsContact CA-OE2 3.23Å; K7-E11 WeakPolarHBondContact CA-OE2 3.4Å; K7-E11 HydrophobicContact CB-CB 4.26Å; K7-E11 WeakPolarHBondContact CB-OE2 3.35Å; K7-E11 WeakPolarHBondContact CD-OE2 3.33Å; K7-V12 HydrophobicContact CB-CG2 3.91Å; K7-R164 PolarHBondContact O-NE 3.47Å; K7-R164 PolarHBondContact O-NH2 3.28Å
8T93.1Very high90.3Very high48 Ų4858.8 Ų58.829%0.29430%0.301SS..  trans-71.5163.7173.180.90000110.2E10 E11 V12 P193T8-E10 VanDerWaalsContact C-N 3.25Å; T8-E10 VanDerWaalsContact CB-OE2 3.24Å; T8-E10 WeakPolarHBondContact CB-OE2 3.34Å; T8-E10 PolarHBondContact O-N 3.05Å; T8-E10 PolarHBondContact OG1-OE2 3.36Å; T8-E11 PolarHBondContact N-OE2 2.97Å; T8-E11 PolarHBondContact O-N 3.46Å; T8-E11 PolarHBondContact OG1-N 3.49Å; T8-V12 VanDerWaalsContact O-CG2 3.28Å; T8-V12 WeakPolarHBondContact O-CG2 3.44Å; T8-V12 PolarHBondContact O-N 3.37Å; T8-P193 HydrophobicContact CG2-CG 4.31Å
9V92.4Very high90.3Very high18 Ų1860.3 Ų60.311%0.10931%0.309CS..Hα-helixtrans-62-38.8-179.8176.20000110.6V12 Y13 C166V9-V12 PolarHBondContact O-N 3.01Å; V9-Y13 HydrophobicContact CG1-CD2 3.9Å; V9-Y13 HydrophobicContact CG1-CE1 4.44Å; V9-Y13 HydrophobicContact CG1-CE2 3.41Å; V9-Y13 VanDerWaalsContact CG1-CE2 3.41Å; V9-Y13 PolarHBondContact O-N 3.32Å; V9-C166 HydrophobicContact CG1-CB 3.66Å
10E92.7Very high90.1Very high126 Ų12660.1 Ų60.159%0.58931%0.307SS*.Hα-helixtrans-66.1-39.1179-56.374.7-160.500112.2T8 V12 S14T8-E10 VanDerWaalsContact C-N 3.25Å; T8-E10 VanDerWaalsContact CB-OE2 3.24Å; T8-E10 WeakPolarHBondContact CB-OE2 3.34Å; T8-E10 PolarHBondContact O-N 3.05Å; T8-E10 PolarHBondContact OG1-OE2 3.36Å; E10-V12 VanDerWaalsContact C-N 3.32Å; E10-S14 VanDerWaalsContact O-CB 3.32Å; E10-S14 WeakPolarHBondContact O-CB 3.2Å; E10-S14 PolarHBondContact O-N 2.84Å; E10-S14 PolarHBondContact O-OG 2.97Å
11E93.5Very high89.8Confident84 Ų8461.4 Ų61.439%0.39332%0.322SS..Hα-helixtrans-64-39175.5-70.3-180133.300111.4K7 T8 S14 Y15K7-E11 VanDerWaalsContact CA-OE2 3.23Å; K7-E11 WeakPolarHBondContact CA-OE2 3.4Å; K7-E11 HydrophobicContact CB-CB 4.26Å; K7-E11 WeakPolarHBondContact CB-OE2 3.35Å; K7-E11 WeakPolarHBondContact CD-OE2 3.33Å; T8-E11 PolarHBondContact N-OE2 2.97Å; T8-E11 PolarHBondContact O-N 3.46Å; T8-E11 PolarHBondContact OG1-N 3.49Å; E11-S14 PolarHBondContact O-N 3.31Å; E11-Y15 WeakPolarHBondContact O-CB 3.4Å; E11-Y15 PolarHBondContact O-N 3.03Å
12V93Very high90.2Very high0 Ų062.7 Ų62.70%033%0.331CS..Hα-helixtrans-69.9-44179.51770000110.7M1 K7 T8 V9 E10 S14 Y15 F16 R164 V222 V224M1-V12 HydrophobicContact CE-CG2 3.74Å; M1-V12 HydrophobicContact SD-CG1 4.49Å; M1-V12 HydrophobicContact SD-CG2 4.22Å; K7-V12 HydrophobicContact CB-CG2 3.91Å; T8-V12 VanDerWaalsContact O-CG2 3.28Å; T8-V12 WeakPolarHBondContact O-CG2 3.44Å; T8-V12 PolarHBondContact O-N 3.37Å; V9-V12 PolarHBondContact O-N 3.01Å; E10-V12 VanDerWaalsContact C-N 3.32Å; V12-S14 VanDerWaalsContact C-N 3.31Å; V12-S14 PolarHBondContact O-N 2.79Å; V12-Y15 PolarHBondContact O-N 3.27Å; V12-F16 HydrophobicContact CG1-CD2 4.2Å; V12-F16 HydrophobicContact CG1-CE2 4.38Å; V12-F16 WeakPolarHBondContact O-CD2 3.21Å; V12-F16 PolarHBondContact O-N 3.02Å; V12-R164 HydrophobicContact CG1-CB 4.46Å; V12-R164 HydrophobicContact CG1-CG 4.38Å; V12-R164 HydrophobicContact CG2-CG 4.04Å; V12-V222 HydrophobicContact CG1-CB 4.01Å; V12-V222 HydrophobicContact CG1-CG1 4.06Å; V12-V222 HydrophobicContact CG1-CG2 4.24Å; V12-V224 HydrophobicContact CG1-CG1 4.5Å
13Y92.7Very high91Very high36 Ų3654 Ų5414%0.14129%0.291CS..Hα-helixtrans-59.6-42172.5-71.1-28.2000112.1V9 C17 V18 E20 I150 C166 V222V9-Y13 HydrophobicContact CG1-CD2 3.9Å; V9-Y13 HydrophobicContact CG1-CE1 4.44Å; V9-Y13 HydrophobicContact CG1-CE2 3.41Å; V9-Y13 VanDerWaalsContact CG1-CE2 3.41Å; V9-Y13 PolarHBondContact O-N 3.32Å; Y13-C17 WeakPolarHBondContact O-CA 3.39Å; Y13-C17 PolarHBondContact O-N 3.45Å; Y13-V18 HydrophobicContact CD1-CG1 3.95Å; Y13-V18 PolarHBondContact O-N 2.9Å; Y13-E20 HydrophobicContact CE1-CB 4.44Å; Y13-E20 HydrophobicContact CE2-CB 4.29Å; Y13-E20 VanDerWaalsContact OH-CB 3.25Å; Y13-E20 WeakPolarHBondContact OH-CB 3.35Å; Y13-E20 VanDerWaalsContact OH-CD 3.28Å; Y13-E20 VanDerWaalsContact OH-CG 3.24Å; Y13-E20 WeakPolarHBondContact OH-CG 3.37Å; Y13-E20 PolarHBondContact OH-OE2 3.41Å; Y13-I150 HydrophobicContact CD1-CD1 4.46Å; Y13-I150 HydrophobicContact CE1-CD1 3.88Å; Y13-C166 HydrophobicContact CE1-CB 4.21Å; Y13-C166 WeakPolarHBondContact OH-CB 3.27Å; Y13-V222 HydrophobicContact CD1-CG2 3.62Å; Y13-V222 HydrophobicContact CE1-CG2 3.38Å
14S92.4Very high91.2Very high85 Ų8550.3 Ų50.359%0.59427%0.271SS*.Hα-helixtrans-66.1-41.3178-58.60000112E10 E11 V12 F16 C17E10-S14 VanDerWaalsContact O-CB 3.32Å; E10-S14 WeakPolarHBondContact O-CB 3.2Å; E10-S14 PolarHBondContact O-N 2.84Å; E10-S14 PolarHBondContact O-OG 2.97Å; E11-S14 PolarHBondContact O-N 3.31Å; V12-S14 VanDerWaalsContact C-N 3.31Å; V12-S14 PolarHBondContact O-N 2.79Å; S14-F16 PolarHBondContact O-N 2.93Å; S14-C17 PolarHBondContact O-N 2.65Å; S14-C17 PolarHBondContact O-SG 3.43Å
15Y93Very high91.3Very high132 Ų13251.4 Ų51.452%0.51828%0.279SS..Hα-helixtrans-61.5-43.6179.6-178.3-88.4000112.4M1 E11 V12M1-Y15 HydrophobicContact CB-CD1 4.11Å; M1-Y15 HydrophobicContact CB-CE1 3.83Å; M1-Y15 HydrophobicContact CG-CD1 4.31Å; M1-Y15 HydrophobicContact CG-CE1 4.36Å; M1-Y15 HydrophobicContact CG-CG 4.49Å; M1-Y15 HydrophobicContact SD-CD1 3.72Å; M1-Y15 HydrophobicContact SD-CD2 4.28Å; M1-Y15 HydrophobicContact SD-CE1 4.35Å; M1-Y15 HydrophobicContact SD-CG 3.69Å; E11-Y15 WeakPolarHBondContact O-CB 3.4Å; E11-Y15 PolarHBondContact O-N 3.03Å; V12-Y15 PolarHBondContact O-N 3.27Å
16F90.6Very high91.3Very high10 Ų1056 Ų564%0.04430%0.303CS..Hα-helixtrans-89.8-3.5178.4-69.7-73.9000113.8M1 V12 S14 V18 P147 V222 V224M1-F16 HydrophobicContact CB-CE2 4.04Å; M1-F16 HydrophobicContact CB-CZ 3.95Å; M1-F16 HydrophobicContact SD-CE2 4.04Å; V12-F16 HydrophobicContact CG1-CD2 4.2Å; V12-F16 HydrophobicContact CG1-CE2 4.38Å; V12-F16 WeakPolarHBondContact O-CD2 3.21Å; V12-F16 PolarHBondContact O-N 3.02Å; S14-F16 PolarHBondContact O-N 2.93Å; F16-V18 VanDerWaalsContact C-N 3.27Å; F16-V18 HydrophobicContact CB-CB 4.48Å; F16-V18 HydrophobicContact CB-CG1 4.01Å; F16-V18 PolarHBondContact O-N 3.26Å; F16-P147 HydrophobicContact CE1-CB 3.87Å; F16-P147 HydrophobicContact CZ-CB 4.33Å; F16-V222 HydrophobicContact CD2-CG1 3.84Å; F16-V222 HydrophobicContact CE2-CG1 4.25Å; F16-V222 HydrophobicContact CG-CG1 4.46Å; F16-V224 HydrophobicContact CE2-CG1 4.22Å
17C89.5Confident91.3Very high98 Ų9860.9 Ų60.966%0.66233%0.328SS*.THydrogen-bonded Turntrans5440.6-175.4-62.90000113Y13 S14Y13-C17 WeakPolarHBondContact O-CA 3.39Å; Y13-C17 PolarHBondContact O-N 3.45Å; S14-C17 PolarHBondContact O-N 2.65Å; S14-C17 PolarHBondContact O-SG 3.43Å
18V90.6Very high91.2Very high12 Ų1259 Ų597%0.07332%0.32CS..  trans-116148.9-173.369.90000112Y13 F16 L24 I150 V222Y13-V18 HydrophobicContact CD1-CG1 3.95Å; Y13-V18 PolarHBondContact O-N 2.9Å; F16-V18 VanDerWaalsContact C-N 3.27Å; F16-V18 HydrophobicContact CB-CB 4.48Å; F16-V18 HydrophobicContact CB-CG1 4.01Å; F16-V18 PolarHBondContact O-N 3.26Å; V18-L24 HydrophobicContact CB-CD2 4.04Å; V18-L24 HydrophobicContact CG2-CD2 3.9Å; V18-L24 HydrophobicContact CG2-CG 4.2Å; V18-I150 HydrophobicContact CG1-CD1 3.99Å; V18-I150 HydrophobicContact CG2-CD1 3.99Å; V18-I150 HydrophobicContact CG2-CG1 3.74Å; V18-V222 HydrophobicContact CG1-CG2 4.33Å
19N89.4Confident91.2Very high87 Ų8757.4 Ų57.447%0.46531%0.31SS..  trans-109.7133.8174.6-175.8-47.5000110.2S21 T22 G23N19-S21 PolarHBondContact O-N 3.24Å; N19-S21 PolarHBondContact OD1-N 3.23Å; N19-S21 PolarHBondContact OD1-OG 3.17Å; N19-T22 PolarHBondContact O-N 3.08Å; N19-G23 WeakPolarHBondContact O-CA 3.48Å; N19-G23 PolarHBondContact O-N 3.4Å
20E85.8Confident91.3Very high57 Ų5762.8 Ų62.827%0.26633%0.332SS..THydrogen-bonded Turntrans-51.9-38.9179.9-168176151.600113.5Y13 S167 K169 V220Y13-E20 HydrophobicContact CE1-CB 4.44Å; Y13-E20 HydrophobicContact CE2-CB 4.29Å; Y13-E20 VanDerWaalsContact OH-CB 3.25Å; Y13-E20 WeakPolarHBondContact OH-CB 3.35Å; Y13-E20 VanDerWaalsContact OH-CD 3.28Å; Y13-E20 VanDerWaalsContact OH-CG 3.24Å; Y13-E20 WeakPolarHBondContact OH-CG 3.37Å; Y13-E20 PolarHBondContact OH-OE2 3.41Å; E20-S167 WeakPolarHBondContact OE1-CB 3.37Å; E20-K169 IonicContact OE1-NZ 2.64Å; E20-K169 PolarHBondContact OE1-NZ 3.04Å; E20-V220 HydrophobicContact CG-CG1 4.17Å
21S84.3Confident91.3Very high87 Ų8764 Ų6461%0.60833%0.331SS*.THydrogen-bonded Turntrans-81.5-23-170.763.90000114.1N19N19-S21 PolarHBondContact O-N 3.24Å; N19-S21 PolarHBondContact OD1-N 3.23Å; N19-S21 PolarHBondContact OD1-OG 3.17Å
22T87.6Confident91.3Very high59 Ų5960.9 Ų60.936%0.36232%0.317SS..THydrogen-bonded Turntrans-120.4-24-173.761.50000113.4N19 R131 Q132N19-T22 PolarHBondContact O-N 3.08Å; T22-R131 CarbonylContact O-C 3.56Å; T22-R131 WeakPolarHBondContact O-CA 3.37Å; T22-Q132 WeakPolarHBondContact O-CA 3.3Å; T22-Q132 PolarHBondContact O-N 2.95Å
23G92.6Very high91.3Very high0 Ų064.7 Ų64.70%033%0.334CS..  trans66.2-160.8-174.900000114.3N19 Y130 Q132N19-G23 WeakPolarHBondContact O-CA 3.48Å; N19-G23 PolarHBondContact O-N 3.4Å; G23-Y130 WeakPolarHBondContact CA-O 3.23Å; G23-Q132 WeakPolarHBondContact O-CG 3.32Å; G23-Q132 PolarHBondContact O-NE2 2.86Å
24L93.6Very high91.3Very high1 Ų169.8 Ų69.81%0.00536%0.359CS..BIsolated β-bridgetrans-77.4150-178.9-67.9-179.2000112.4V18 E28 V29 R131 Q132 V146 G148V18-L24 HydrophobicContact CB-CD2 4.04Å; V18-L24 HydrophobicContact CG2-CD2 3.9Å; V18-L24 HydrophobicContact CG2-CG 4.2Å; L24-E28 HydrophobicContact CB-CB 4.42Å; L24-E28 HydrophobicContact CD2-CB 4.29Å; L24-V29 HydrophobicContact CB-CG2 3.92Å; L24-V29 HydrophobicContact CD1-CG2 4.29Å; L24-R131 WeakPolarHBondContact O-CA 3.49Å; L24-Q132 PolarHBondContact O-N 3.06Å; L24-V146 HydrophobicContact CD1-CG2 4.11Å; L24-G148 VanDerWaalsContact CD1-C 3.47Å; L24-G148 WeakPolarHBondContact CG-O 3.44Å
25S93.4Very high91.3Very high24 Ų2472.8 Ų72.817%0.16836%0.361CS..  trans-75.4158.1167.1660000111.8D27 E28 V29S25-D27 VanDerWaalsContact C-N 3.26Å; S25-D27 PolarHBondContact O-N 2.69Å; S25-E28 WeakPolarHBondContact CB-OE2 3.47Å; S25-E28 PolarHBondContact N-OE2 3.01Å; S25-E28 PolarHBondContact O-N 2.56Å; S25-E28 WeakPolarHBondContact OG-CB 3.42Å; S25-E28 WeakPolarHBondContact OG-CG 3.39Å; S25-E28 PolarHBondContact OG-N 3.24Å; S25-E28 PolarHBondContact OG-OE2 2.89Å; S25-V29 WeakPolarHBondContact O-CG2 3.2Å; S25-V29 PolarHBondContact O-N 3.31Å
26L91.4Very high91.2Very high100 Ų10070.3 Ų70.352%0.52435%0.351SS..Hα-helixtrans-61.8-33.8178.2-67.4175.4000112.7V29 K30 D133L26-V29 PolarHBondContact O-N 3.3Å; L26-K30 PolarHBondContact O-N 2.65Å; L26-D133 HydrophobicContact CD1-CB 3.99Å; L26-D133 HydrophobicContact CD2-CB 4.45Å; L26-D133 HydrophobicContact CG-CB 4.15Å
27D92.6Very high91.4Very high135 Ų13571.4 Ų71.472%0.72237%0.365SS*.Hα-helixtrans-67.9-39.9176-71.2-24.9000111.5S25 K30 R31S25-D27 VanDerWaalsContact C-N 3.26Å; S25-D27 PolarHBondContact O-N 2.69Å; D27-K30 PolarHBondContact O-N 3.24Å; D27-R31 PolarHBondContact O-N 3.46Å
28E91.9Very high91.6Very high41 Ų4169.7 Ų69.719%0.19235%0.349CS..Hα-helixtrans-66.7-41174-73.9163.2153.400111.9L24 S25 K30 R31 Q32L24-E28 HydrophobicContact CB-CB 4.42Å; L24-E28 HydrophobicContact CD2-CB 4.29Å; S25-E28 WeakPolarHBondContact CB-OE2 3.47Å; S25-E28 PolarHBondContact N-OE2 3.01Å; S25-E28 PolarHBondContact O-N 2.56Å; S25-E28 WeakPolarHBondContact OG-CB 3.42Å; S25-E28 WeakPolarHBondContact OG-CG 3.39Å; S25-E28 PolarHBondContact OG-N 3.24Å; S25-E28 PolarHBondContact OG-OE2 2.89Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 2.96Å; E28-R31 PolarHBondContact O-N 3.34Å; E28-Q32 WeakPolarHBondContact O-CB 3.18Å; E28-Q32 VanDerWaalsContact O-CG 3.3Å; E28-Q32 WeakPolarHBondContact O-CG 3.45Å; E28-Q32 PolarHBondContact O-N 3.26Å
29V93.1Very high91.8Very high14 Ų1469.5 Ų69.59%0.08535%0.347CS..Hα-helixtrans-57.9-45.6174.8171.30000110.2L24 S25 L26 Q32 K33 V146L24-V29 HydrophobicContact CB-CG2 3.92Å; L24-V29 HydrophobicContact CD1-CG2 4.29Å; S25-V29 WeakPolarHBondContact O-CG2 3.2Å; S25-V29 PolarHBondContact O-N 3.31Å; L26-V29 PolarHBondContact O-N 3.3Å; V29-Q32 PolarHBondContact O-N 3.14Å; V29-K33 WeakPolarHBondContact O-CB 3.45Å; V29-K33 PolarHBondContact O-N 2.8Å; V29-V146 HydrophobicContact CG1-CG2 4.3Å
30K93.5Very high91.8Very high131 Ų13169 Ų6957%0.5734%0.342SS*.Hα-helixtrans-61.1-45.9176.6-170.7-179.8176.9-173.30111.6L26 D27 E28 K33 E34L26-K30 PolarHBondContact O-N 2.65Å; D27-K30 PolarHBondContact O-N 3.24Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 2.96Å; K30-K33 PolarHBondContact O-N 2.97Å; K30-E34 VanDerWaalsContact CE-OE1 3.29Å; K30-E34 WeakPolarHBondContact CE-OE1 3.41Å; K30-E34 WeakPolarHBondContact O-CG 3.22Å; K30-E34 PolarHBondContact O-N 2.94Å
31R93.8Very high91.8Very high151 Ų15166.7 Ų66.757%0.5733%0.332SS*.Hα-helixtrans-63.1-42.4178.1-171.3-178.768.8176.1-2.3112.6D27 E28 K35D27-R31 PolarHBondContact O-N 3.46Å; E28-R31 PolarHBondContact O-N 3.34Å; R31-K35 WeakPolarHBondContact O-CB 3.18Å; R31-K35 PolarHBondContact O-N 3.37Å; R31-K35 VanDerWaalsContact O-N 3.08Å
32Q92.4Very high91.6Very high18 Ų1865.4 Ų65.48%0.08432%0.321CS..Hα-helixtrans-68.8-37.5177.3-65.6-65.21.200111.1E28 V29 K35 W36 V146E28-Q32 WeakPolarHBondContact O-CB 3.18Å; E28-Q32 VanDerWaalsContact O-CG 3.3Å; E28-Q32 WeakPolarHBondContact O-CG 3.45Å; E28-Q32 PolarHBondContact O-N 3.26Å; V29-Q32 PolarHBondContact O-N 3.14Å; Q32-K35 PolarHBondContact O-N 3.39Å; Q32-W36 WeakPolarHBondContact O-CB 3.26Å; Q32-W36 VanDerWaalsContact O-CD1 3.29Å; Q32-W36 PolarHBondContact O-N 2.88Å; Q32-V146 HydrophobicContact CB-CB 3.85Å; Q32-V146 HydrophobicContact CB-CG1 4.44Å; Q32-V146 HydrophobicContact CB-CG2 3.78Å; Q32-V146 HydrophobicContact CG-CG2 4.49Å
33K92.6Very high90.8Very high81 Ų8165.9 Ų65.935%0.35233%0.331SS..Hα-helixtrans-64-40.5175.3-171.4173.2177.8167.30112.4V29 K30 K35 G37 L38 V146V29-K33 WeakPolarHBondContact O-CB 3.45Å; V29-K33 PolarHBondContact O-N 2.8Å; K30-K33 PolarHBondContact O-N 2.97Å; K33-K35 VanDerWaalsContact C-N 3.31Å; K33-G37 WeakPolarHBondContact O-CA 3.5Å; K33-G37 PolarHBondContact O-N 2.9Å; K33-L38 HydrophobicContact CD-CD2 4.48Å; K33-V146 HydrophobicContact CB-CG1 3.95Å
34E93.5Very high89.6Confident143 Ų14370.8 Ų70.867%0.66835%0.354SS*.Hα-helixtrans-66.6-33.5173.5-74.8172.5-170.900112.1K30K30-E34 VanDerWaalsContact CE-OE1 3.29Å; K30-E34 WeakPolarHBondContact CE-OE1 3.41Å; K30-E34 WeakPolarHBondContact O-CG 3.22Å; K30-E34 PolarHBondContact O-N 2.94Å
35K93.1Very high88.3Confident148 Ų14880 Ų8064%0.64340%0.397SS*.Hα-helixtrans-78.5-43.2-179.2-176.9175.2178.6177.40113.9R31 Q32 K33R31-K35 WeakPolarHBondContact O-CB 3.18Å; R31-K35 PolarHBondContact O-N 3.37Å; R31-K35 VanDerWaalsContact O-N 3.08Å; Q32-K35 PolarHBondContact O-N 3.39Å; K33-K35 VanDerWaalsContact C-N 3.31Å
36W90.7Very high86.9Confident79 Ų7981.3 Ų81.330%0.29941%0.414SS..Hα-helixtrans-108.2-12.8-170.6-61.7102.9000113.7Q32 P147Q32-W36 WeakPolarHBondContact O-CB 3.26Å; Q32-W36 VanDerWaalsContact O-CD1 3.29Å; Q32-W36 PolarHBondContact O-N 2.88Å; W36-P147 HydrophobicContact CB-CG 4.12Å; W36-P147 HydrophobicContact CD2-CG 3.96Å; W36-P147 HydrophobicContact CG-CB 4.47Å; W36-P147 HydrophobicContact CG-CG 3.7Å
37G93.8Very high85.9Confident33 Ų3380.9 Ų80.934%0.3441%0.408SS..  trans81.6-163.6-174.100000113.4K33K33-G37 WeakPolarHBondContact O-CA 3.5Å; K33-G37 PolarHBondContact O-N 2.9Å
38L93.6Very high85.5Confident62 Ų6276.9 Ų76.933%0.32539%0.39SS..  trans-82.1152.7173.9-69168.6000110.5K33 E40 R143K33-L38 HydrophobicContact CD-CD2 4.48Å; L38-E40 VanDerWaalsContact C-N 3.28Å; L38-E40 HydrophobicContact CB-CG 3.95Å; L38-E40 WeakPolarHBondContact CD1-OE1 3.37Å; L38-E40 PolarHBondContact O-N 2.79Å; L38-E40 VanDerWaalsContact O-N 3.12Å; L38-R143 VanDerWaalsContact CD2-O 3.24Å; L38-R143 WeakPolarHBondContact CD2-O 3.3Å
39N94.8Very high85Confident9 Ų979.4 Ų79.45%0.04841%0.405CS..SBendtrans-85.968.5174179.546.4000110.9A142 R143 I145 P160 T226 G227N39-A142 WeakPolarHBondContact CB-O 3.41Å; N39-A142 PolarHBondContact ND2-O 2.9Å; N39-R143 PolarHBondContact N-O 2.66Å; N39-R143 VanDerWaalsContact O-CA 3.31Å; N39-R143 WeakPolarHBondContact O-CA 3.42Å; N39-I145 VanDerWaalsContact CB-O 3.29Å; N39-I145 WeakPolarHBondContact CB-O 3.26Å; N39-P160 PolarHBondContact ND2-O 3.42Å; N39-T226 HydrophobicContact CB-CG2 3.94Å; N39-T226 VanDerWaalsContact OD1-CA 3.27Å; N39-T226 WeakPolarHBondContact OD1-CA 3.29Å; N39-T226 VanDerWaalsContact OD1-CB 3.23Å; N39-T226 WeakPolarHBondContact OD1-CB 3.46Å; N39-G227 PolarHBondContact OD1-N 2.74Å
40E90.1Very high84.6Confident75 Ų7587.2 Ų87.235%0.3543%0.433SS..SBendtrans-145.2150.1176.963-168.1-174.200109.9L38 E123 R143L38-E40 VanDerWaalsContact C-N 3.28Å; L38-E40 HydrophobicContact CB-CG 3.95Å; L38-E40 WeakPolarHBondContact CD1-OE1 3.37Å; L38-E40 PolarHBondContact O-N 2.79Å; L38-E40 VanDerWaalsContact O-N 3.12Å; E40-E123 WeakPolarHBondContact CA-OE1 3.39Å; E40-R143 HydrophobicContact CB-CB 4.29Å; E40-R143 WeakPolarHBondContact OE2-CD 3.4Å
41L85.6Confident84.2Confident10 Ų1085.6 Ų85.65%0.05243%0.428CS..PPolyproline II helixtrans-76.7133.9171.9-65.7170.7000110.1A43 E123 R236L41-A43 PolarHBondContact O-N 3.01Å; L41-E123 VanDerWaalsContact CG-OE1 3.22Å; L41-E123 WeakPolarHBondContact CG-OE1 3.37Å; L41-E123 PolarHBondContact N-OE1 2.75Å; L41-R236 HydrophobicContact CD1-CB 4.44Å; L41-R236 HydrophobicContact CD1-CG 4.4Å; L41-R236 HydrophobicContact CD2-CB 4.15Å; L41-R236 HydrophobicContact CD2-CG 4.19Å
42P81.1Confident83.6Confident59 Ų5978.6 Ų78.638%0.38340%0.401SS..PPolyproline II helixtrans-61.9139.8-179.4-10.618.7000111.7V228 R236P42-V228 HydrophobicContact CG-CG1 3.99Å; P42-R236 VanDerWaalsContact CD-CZ 3.46Å; P42-R236 PolarHBondContact O-NH2 2.84Å
43A70.3Confident83.4Confident69 Ų6980 Ų8057%0.5741%0.411SS*.PPolyproline II helixtrans-67.9139.4166.200000109.6L41L41-A43 PolarHBondContact O-N 3.01Å
44E66Low83.2Confident103 Ų10380 Ų8048%0.48141%0.414SS..PPolyproline II helixtrans-84.6139.1173.9-148.3164.4-148.600109.1G46 I116E44-G46 PolarHBondContact O-N 3.33Å; E44-I116 WeakPolarHBondContact OE2-CD1 3.38Å
45E66.3Low82.7Confident196 Ų19676.3 Ų76.392%0.91640%0.397SS*.  trans-82.695.2174.2-66.1-176.417400107.4
46G64.2Low82.3Confident51 Ų5172 Ų7253%0.52638%0.379SS..PPolyproline II helixtrans-62150.9173.700000111.3E44E44-G46 PolarHBondContact O-N 3.33Å
47K71.6Confident82.1Confident91 Ų9170.8 Ų70.840%0.39638%0.376SS..PPolyproline II helixtrans-61.2141.1177.9-67.6-174.7-173.1177.50109.7L52 E55K47-L52 HydrophobicContact CB-CD2 4.32Å; K47-L52 HydrophobicContact CB-CG 4.11Å; K47-L52 HydrophobicContact CD-CD2 4.07Å; K47-E55 WeakPolarHBondContact CE-OE1 3.24Å; K47-E55 IonicContact NZ-OE1 3.75Å; K47-E55 PolarHBondContact NZ-OE1 3.35Å; K47-E55 IonicContact NZ-OE2 3.18Å; K47-E55 PolarHBondContact NZ-OE2 3.33Å
48S82.9Confident81.7Confident50 Ų5074.9 Ų74.935%0.3539%0.387SS..PPolyproline II helixtrans-69150.517467.60000110.5W50 E51 L52S48-W50 PolarHBondContact O-N 3.48Å; S48-E51 WeakPolarHBondContact CB-OE2 3.33Å; S48-E51 PolarHBondContact N-OE2 3.13Å; S48-E51 PolarHBondContact O-N 3.37Å; S48-E51 VanDerWaalsContact OG-CG 3.28Å; S48-E51 WeakPolarHBondContact OG-CG 3.38Å; S48-E51 PolarHBondContact OG-N 3.23Å; S48-E51 PolarHBondContact OG-OE2 2.97Å; S48-L52 PolarHBondContact O-N 3.1Å; S48-L52 VanDerWaalsContact O-N 3.09Å
49L81.6Confident81Confident94 Ų9475 Ų7549%0.49239%0.388SS..Hα-helixtrans-54.1-29.5174.6-72.1172000112.6V53 V106L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.45Å; L49-V53 PolarHBondContact O-N 3.41Å; L49-V53 VanDerWaalsContact O-N 3.15Å; L49-V106 HydrophobicContact CD2-CG1 4.26Å
50W85.5Confident80.3Confident179 Ų17978.3 Ų78.368%0.67841%0.405SS*.Hα-helixtrans-72.4-41.1178.3-177.8-107.3000112.6S48 V53 L54S48-W50 PolarHBondContact O-N 3.48Å; W50-V53 PolarHBondContact O-N 3Å; W50-L54 HydrophobicContact CZ2-CD2 4.39Å; W50-L54 WeakPolarHBondContact O-CG 3.15Å; W50-L54 PolarHBondContact O-N 2.75Å
51E85.3Confident79.7Confident97 Ų9776 Ų7645%0.45340%0.395SS..Hα-helixtrans-63.8-43.7174.8-73.1158.216200111S48 V53 L54 E55S48-E51 WeakPolarHBondContact CB-OE2 3.33Å; S48-E51 PolarHBondContact N-OE2 3.13Å; S48-E51 PolarHBondContact O-N 3.37Å; S48-E51 VanDerWaalsContact OG-CG 3.28Å; S48-E51 WeakPolarHBondContact OG-CG 3.38Å; S48-E51 PolarHBondContact OG-N 3.23Å; S48-E51 PolarHBondContact OG-OE2 2.97Å; E51-V53 VanDerWaalsContact C-N 3.3Å; E51-V53 PolarHBondContact O-N 3.42Å; E51-L54 PolarHBondContact O-N 3.15Å; E51-L54 VanDerWaalsContact O-N 3.1Å; E51-E55 PolarHBondContact O-N 3.39Å
52L81.8Confident79.6Confident3 Ų377.1 Ų77.12%0.01640%0.402CS..Hα-helixtrans-58.2-41.3175-71.9169.5000112.2K47 S48 Q56 V106 E109K47-L52 HydrophobicContact CB-CD2 4.32Å; K47-L52 HydrophobicContact CB-CG 4.11Å; K47-L52 HydrophobicContact CD-CD2 4.07Å; S48-L52 PolarHBondContact O-N 3.1Å; S48-L52 VanDerWaalsContact O-N 3.09Å; L52-Q56 WeakPolarHBondContact O-CG 3.37Å; L52-Q56 PolarHBondContact O-N 2.85Å; L52-V106 HydrophobicContact CB-CG1 4.35Å; L52-V106 HydrophobicContact CB-CG2 4.19Å; L52-E109 HydrophobicContact CD2-CB 4.32Å; L52-E109 HydrophobicContact CD2-CG 3.81Å; L52-E109 WeakPolarHBondContact CD2-OE2 3.35Å
53V86.9Confident79.8Confident47 Ų4780.4 Ų80.429%0.28541%0.406SS..Hα-helixtrans-63.8-43.4175.4170.30000111L49 W50 E51 E55 Q56 F57 V106L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.45Å; L49-V53 PolarHBondContact O-N 3.41Å; L49-V53 VanDerWaalsContact O-N 3.15Å; W50-V53 PolarHBondContact O-N 3Å; E51-V53 VanDerWaalsContact C-N 3.3Å; E51-V53 PolarHBondContact O-N 3.42Å; V53-E55 VanDerWaalsContact C-N 3.34Å; V53-E55 PolarHBondContact O-N 3.47Å; V53-Q56 PolarHBondContact O-N 3.25Å; V53-F57 HydrophobicContact CG1-CE2 4.13Å; V53-F57 VanDerWaalsContact O-CD2 3.27Å; V53-F57 WeakPolarHBondContact O-CD2 3.44Å; V53-V106 HydrophobicContact CB-CG2 4.48Å; V53-V106 HydrophobicContact CG2-CG2 3.8Å
54L88.1Confident80.4Confident82 Ų8278.6 Ų78.643%0.42939%0.387SS..Hα-helixtrans-63.1-39.5-179.9-74.7174.1000112.4W50 E51 Q56 F57 E58W50-L54 HydrophobicContact CZ2-CD2 4.39Å; W50-L54 WeakPolarHBondContact O-CG 3.15Å; W50-L54 PolarHBondContact O-N 2.75Å; E51-L54 PolarHBondContact O-N 3.15Å; E51-L54 VanDerWaalsContact O-N 3.1Å; L54-Q56 VanDerWaalsContact C-N 3.25Å; L54-Q56 PolarHBondContact O-N 2.85Å; L54-F57 PolarHBondContact O-N 3.25Å; L54-E58 PolarHBondContact O-N 2.77Å
55E84.3Confident81.1Confident66 Ų6674.1 Ų74.131%0.30837%0.366SS..Hα-helixtrans-59.8-34.4177.7-74.7-179.4177.500112.4K47 E51 V53 F57 E58K47-E55 WeakPolarHBondContact CE-OE1 3.24Å; K47-E55 IonicContact NZ-OE1 3.75Å; K47-E55 PolarHBondContact NZ-OE1 3.35Å; K47-E55 IonicContact NZ-OE2 3.18Å; K47-E55 PolarHBondContact NZ-OE2 3.33Å; E51-E55 PolarHBondContact O-N 3.39Å; V53-E55 VanDerWaalsContact C-N 3.34Å; V53-E55 PolarHBondContact O-N 3.47Å; E55-F57 PolarHBondContact O-N 3.17Å; E55-E58 WeakPolarHBondContact O-CB 3.38Å; E55-E58 PolarHBondContact O-N 2.82Å
56Q83.9Confident82.1Confident56 Ų5667.7 Ų67.726%0.26234%0.338SS..Hα-helixtrans-62.8-23.7175.2-59.4-58.6-47.400113.1L52 V53 L54 A102 V106L52-Q56 WeakPolarHBondContact O-CG 3.37Å; L52-Q56 PolarHBondContact O-N 2.85Å; V53-Q56 PolarHBondContact O-N 3.25Å; L54-Q56 VanDerWaalsContact C-N 3.25Å; L54-Q56 PolarHBondContact O-N 2.85Å; Q56-A102 HydrophobicContact CB-CB 4.07Å; Q56-A102 HydrophobicContact CG-CB 4.42Å; Q56-V106 HydrophobicContact CG-CG2 4.1Å
57F87.6Confident83.1Confident55 Ų5570.3 Ų70.324%0.24134%0.339CS..THydrogen-bonded Turntrans-96.45176.3-66-85.1000113.4V53 L54 E55 V62 R63 L66 L98 A102V53-F57 HydrophobicContact CG1-CE2 4.13Å; V53-F57 VanDerWaalsContact O-CD2 3.27Å; V53-F57 WeakPolarHBondContact O-CD2 3.44Å; L54-F57 PolarHBondContact O-N 3.25Å; E55-F57 PolarHBondContact O-N 3.17Å; F57-V62 HydrophobicContact CD1-CG1 3.8Å; F57-V62 HydrophobicContact CE1-CG1 4.44Å; F57-V62 HydrophobicContact CG-CG1 4.45Å; F57-R63 WeakPolarHBondContact O-CG 3.46Å; F57-R63 PolarHBondContact O-NE 3.45Å; F57-L66 HydrophobicContact CD1-CD2 4.46Å; F57-L98 HydrophobicContact CE1-CB 4.21Å; F57-A102 HydrophobicContact CE2-CB 3.98Å; F57-A102 HydrophobicContact CZ-CB 4.14Å
58E83.6Confident83.6Confident119 Ų11966.2 Ų66.256%0.55632%0.322SS*.THydrogen-bonded Turntrans-82.2-23.1176-68.1-163.6158.100113.7L54 E55 R63L54-E58 PolarHBondContact O-N 2.77Å; E55-E58 WeakPolarHBondContact O-CB 3.38Å; E55-E58 PolarHBondContact O-N 2.82Å; E58-R63 PolarHBondContact O-NE 3.36Å; E58-R63 VanDerWaalsContact O-NE 3.14Å
59D80Confident83.7Confident65 Ų6564.2 Ų64.235%0.34831%0.309SS..SBendtrans-60.4140.3178.8-178.8-99.1000112.4L61 V62 R63D59-L61 PolarHBondContact O-N 3.39Å; D59-L61 VanDerWaalsContact OD1-CB 3.3Å; D59-L61 WeakPolarHBondContact OD1-CB 3.04Å; D59-L61 PolarHBondContact OD1-N 3.48Å; D59-V62 HydrophobicContact CB-CB 4.25Å; D59-V62 HydrophobicContact CB-CG2 4.03Å; D59-V62 PolarHBondContact O-N 3.37Å; D59-V62 PolarHBondContact OD1-N 2.69Å; D59-R63 VanDerWaalsContact O-CG 3.32Å; D59-R63 WeakPolarHBondContact O-CG 3.45Å; D59-R63 PolarHBondContact O-N 2.95Å
60L80.3Confident83.9Confident77 Ų7763 Ų6340%0.40331%0.308SS..Hα-helixtrans-65.3-37.1-173.9-172.166.4000112.5R63 I64 S261L60-R63 PolarHBondContact O-N 3.29Å; L60-I64 WeakPolarHBondContact O-CG1 3.46Å; L60-I64 PolarHBondContact O-N 3.17Å; L60-S261 VanDerWaalsContact CD2-OG 3.28Å; L60-S261 WeakPolarHBondContact CD2-OG 3Å
61L77.4Confident83.7Confident28 Ų2855.8 Ų55.815%0.14728%0.282CS..Hα-helixtrans-69.7-42.9178.5-62.6179.1000110.5D59 R63 I64 L65 L260 I307D59-L61 PolarHBondContact O-N 3.39Å; D59-L61 VanDerWaalsContact OD1-CB 3.3Å; D59-L61 WeakPolarHBondContact OD1-CB 3.04Å; D59-L61 PolarHBondContact OD1-N 3.48Å; L61-R63 VanDerWaalsContact C-N 3.28Å; L61-R63 PolarHBondContact O-N 3.29Å; L61-I64 PolarHBondContact O-N 3.34Å; L61-I64 VanDerWaalsContact O-N 3.12Å; L61-L65 PolarHBondContact O-N 3.46Å; L61-L260 HydrophobicContact CD2-CD2 4.33Å; L61-I307 HydrophobicContact CD2-CG1 4.45Å
62V82.7Confident83.5Confident33 Ų3351.4 Ų51.420%0.226%0.262CS..Hα-helixtrans-60.5-39.9175.5176.90000110.8F57 D59 L65 L66 L98F57-V62 HydrophobicContact CD1-CG1 3.8Å; F57-V62 HydrophobicContact CE1-CG1 4.44Å; F57-V62 HydrophobicContact CG-CG1 4.45Å; D59-V62 HydrophobicContact CB-CB 4.25Å; D59-V62 HydrophobicContact CB-CG2 4.03Å; D59-V62 PolarHBondContact O-N 3.37Å; D59-V62 PolarHBondContact OD1-N 2.69Å; V62-L65 PolarHBondContact O-N 3.2Å; V62-L66 VanDerWaalsContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CB 3.2Å; V62-L66 PolarHBondContact O-N 3.46Å; V62-L98 HydrophobicContact CG1-CD2 3.94Å
63R85.6Confident83.7Confident127 Ų12756.1 Ų56.148%0.47928%0.282SS..Hα-helixtrans-64.5-37.4174.4-73.6174.3176.6176.43.8113.1F57 E58 D59 L60 L61 L66 L67F57-R63 WeakPolarHBondContact O-CG 3.46Å; F57-R63 PolarHBondContact O-NE 3.45Å; E58-R63 PolarHBondContact O-NE 3.36Å; E58-R63 VanDerWaalsContact O-NE 3.14Å; D59-R63 VanDerWaalsContact O-CG 3.32Å; D59-R63 WeakPolarHBondContact O-CG 3.45Å; D59-R63 PolarHBondContact O-N 2.95Å; L60-R63 PolarHBondContact O-N 3.29Å; L61-R63 VanDerWaalsContact C-N 3.28Å; L61-R63 PolarHBondContact O-N 3.29Å; R63-L66 PolarHBondContact O-N 3.08Å; R63-L67 VanDerWaalsContact O-CB 3.3Å; R63-L67 WeakPolarHBondContact O-CB 3.43Å; R63-L67 PolarHBondContact O-N 3.35Å
64I82.3Confident83.5Confident32 Ų3257.4 Ų57.416%0.16429%0.29CS..Hα-helixtrans-66-44.3175-70.8169000110.4L60 L61 L67 A68 S261 A303 I307L60-I64 WeakPolarHBondContact O-CG1 3.46Å; L60-I64 PolarHBondContact O-N 3.17Å; L61-I64 PolarHBondContact O-N 3.34Å; L61-I64 VanDerWaalsContact O-N 3.12Å; I64-L67 WeakPolarHBondContact O-CB 3.41Å; I64-L67 PolarHBondContact O-N 3.38Å; I64-A68 WeakPolarHBondContact O-CB 3.41Å; I64-A68 PolarHBondContact O-N 3.08Å; I64-S261 VanDerWaalsContact CD1-OG 3.29Å; I64-S261 WeakPolarHBondContact CD1-OG 3.21Å; I64-A303 HydrophobicContact CG2-CB 4.1Å; I64-I307 HydrophobicContact CB-CD1 4.49Å; I64-I307 HydrophobicContact CG2-CD1 4.11Å
65L82.1Confident82.9Confident9 Ų955.2 Ų55.25%0.04728%0.279CS..Hα-helixtrans-64.6-39.3174.7-79.5170.7000112.4L61 V62 L67 A68 A69 L98 V304 I307 E309L61-L65 PolarHBondContact O-N 3.46Å; V62-L65 PolarHBondContact O-N 3.2Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-A68 WeakPolarHBondContact O-CB 3.36Å; L65-A68 PolarHBondContact O-N 3.31Å; L65-A69 WeakPolarHBondContact O-CB 3.24Å; L65-A69 PolarHBondContact O-N 3.45Å; L65-L98 HydrophobicContact CB-CD1 4.49Å; L65-L98 HydrophobicContact CB-CD2 4Å; L65-L98 HydrophobicContact CD1-CD2 4.25Å; L65-V304 HydrophobicContact CD2-CG2 4.38Å; L65-I307 HydrophobicContact CD1-CD1 4.22Å; L65-I307 HydrophobicContact CD1-CG2 3.96Å; L65-I307 HydrophobicContact CD2-CD1 4.02Å; L65-I307 HydrophobicContact CG-CD1 3.66Å; L65-E309 HydrophobicContact CD1-CG 4.17Å
66L87Confident82.7Confident60 Ų6052.7 Ų52.731%0.31427%0.269SS..Hα-helixtrans-65-40.3175.9-175.766.2000111.1F57 V62 R63 A69 C70 L98F57-L66 HydrophobicContact CD1-CD2 4.46Å; V62-L66 VanDerWaalsContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CB 3.2Å; V62-L66 PolarHBondContact O-N 3.46Å; R63-L66 PolarHBondContact O-N 3.08Å; L66-A69 PolarHBondContact O-N 2.93Å; L66-C70 PolarHBondContact O-N 3.19Å; L66-C70 PolarHBondContact O-SG 3.4Å; L66-L98 HydrophobicContact CB-CD1 4.1Å; L66-L98 HydrophobicContact CD1-CD1 3.98Å
67L84.9Confident82.6Confident107 Ų10758.2 Ų58.256%0.5629%0.288SS*.Hα-helixtrans-62.3-46173179.463.7000110.8R63 I64 L65 A69 C70 I71R63-L67 VanDerWaalsContact O-CB 3.3Å; R63-L67 WeakPolarHBondContact O-CB 3.43Å; R63-L67 PolarHBondContact O-N 3.35Å; I64-L67 WeakPolarHBondContact O-CB 3.41Å; I64-L67 PolarHBondContact O-N 3.38Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L67-A69 PolarHBondContact O-N 3.47Å; L67-C70 PolarHBondContact O-N 2.64Å; L67-I71 HydrophobicContact CD1-CD1 3.97Å; L67-I71 HydrophobicContact CD1-CG1 4.35Å; L67-I71 HydrophobicContact CG-CD1 3.76Å; L67-I71 WeakPolarHBondContact O-CB 3.25Å; L67-I71 WeakPolarHBondContact O-CD1 3.48Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 2.88Å
68A82Confident82Confident4 Ų463.3 Ų63.33%0.03331%0.31CS..Hα-helixtrans-58-44.317400000112I64 L65 I71 S72 V300I64-A68 WeakPolarHBondContact O-CB 3.41Å; I64-A68 PolarHBondContact O-N 3.08Å; L65-A68 WeakPolarHBondContact O-CB 3.36Å; L65-A68 PolarHBondContact O-N 3.31Å; A68-I71 PolarHBondContact O-N 2.86Å; A68-S72 WeakPolarHBondContact O-CB 3.26Å; A68-S72 PolarHBondContact O-N 2.89Å; A68-V300 HydrophobicContact CB-CG1 4.01Å
69A85.3Confident81.3Confident8 Ų863.3 Ų63.37%0.06631%0.31CS..Hα-helixtrans-62-44.617600000112.2L65 L66 L67 S72 F73 I94L65-A69 WeakPolarHBondContact O-CB 3.24Å; L65-A69 PolarHBondContact O-N 3.45Å; L66-A69 PolarHBondContact O-N 2.93Å; L67-A69 PolarHBondContact O-N 3.47Å; A69-S72 PolarHBondContact O-N 3.25Å; A69-F73 VanDerWaalsContact O-CB 3.31Å; A69-F73 WeakPolarHBondContact O-CB 3.47Å; A69-F73 PolarHBondContact O-N 2.76Å; A69-I94 HydrophobicContact CB-CB 4.13Å; A69-I94 HydrophobicContact CB-CG2 3.71Å
70C86.3Confident80.3Confident70 Ų7068.8 Ų68.847%0.47333%0.334SS..Hα-helixtrans-63.1-42.9177.2-68.50000111.4L66 L67 F73 V74L66-C70 PolarHBondContact O-N 3.19Å; L66-C70 PolarHBondContact O-SG 3.4Å; L67-C70 PolarHBondContact O-N 2.64Å; C70-F73 PolarHBondContact O-N 2.81Å; C70-V74 VanDerWaalsContact O-CG2 3.32Å; C70-V74 WeakPolarHBondContact O-CG2 3.29Å; C70-V74 PolarHBondContact O-N 3.27Å
71I80.4Confident79.2Confident26 Ų2667.8 Ų67.813%0.13334%0.342CS..Hα-helixtrans-65.1-50.1177.5-69.6162.6000110.4L67 A68 F73 V74 L75 F296 V300L67-I71 HydrophobicContact CD1-CD1 3.97Å; L67-I71 HydrophobicContact CD1-CG1 4.35Å; L67-I71 HydrophobicContact CG-CD1 3.76Å; L67-I71 WeakPolarHBondContact O-CB 3.25Å; L67-I71 WeakPolarHBondContact O-CD1 3.48Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 2.88Å; A68-I71 PolarHBondContact O-N 2.86Å; I71-F73 PolarHBondContact O-N 3.46Å; I71-V74 WeakPolarHBondContact O-CB 3.42Å; I71-V74 PolarHBondContact O-N 2.88Å; I71-L75 HydrophobicContact CG2-CD1 3.95Å; I71-L75 HydrophobicContact CG2-CG 4.21Å; I71-L75 WeakPolarHBondContact O-CG 3.22Å; I71-L75 PolarHBondContact O-N 3.49Å; I71-F296 HydrophobicContact CB-CE1 4.17Å; I71-F296 HydrophobicContact CD1-CE1 3.43Å; I71-F296 VanDerWaalsContact CD1-CE1 3.43Å; I71-F296 HydrophobicContact CD1-CZ 3.52Å; I71-F296 HydrophobicContact CG1-CE1 3.72Å; I71-F296 HydrophobicContact CG1-CZ 4.22Å; I71-F296 HydrophobicContact CG2-CD1 3.64Å; I71-F296 HydrophobicContact CG2-CE1 3.35Å; I71-F296 HydrophobicContact CG2-CZ 4.49Å; I71-V300 HydrophobicContact CB-CG2 4.16Å; I71-V300 HydrophobicContact CD1-CG2 4.41Å; I71-V300 HydrophobicContact CG2-CG2 3.64Å
72S80.6Confident77.9Confident5 Ų576.1 Ų76.14%0.03538%0.38CS..Hα-helixtrans-56.5-40.9178.6-174.60000110.9A68 A69 V74 L75 A76 E90 P91A68-S72 WeakPolarHBondContact O-CB 3.26Å; A68-S72 PolarHBondContact O-N 2.89Å; A69-S72 PolarHBondContact O-N 3.25Å; S72-V74 PolarHBondContact O-N 3.5Å; S72-L75 PolarHBondContact O-N 2.89Å; S72-A76 WeakPolarHBondContact O-CB 3.36Å; S72-A76 PolarHBondContact O-N 3.44Å; S72-E90 WeakPolarHBondContact CB-OE1 3.25Å; S72-E90 WeakPolarHBondContact OG-CG 3.47Å; S72-E90 PolarHBondContact OG-OE1 2.92Å; S72-P91 WeakPolarHBondContact OG-CD 3.4Å
73F85.6Confident76.6Confident102 Ų10280.6 Ų80.645%0.44740%0.398SS..Hα-helixtrans-63.1-42.1174.3-171.8-92000112.9A69 C70 I71 W77 F88 P91A69-F73 VanDerWaalsContact O-CB 3.31Å; A69-F73 WeakPolarHBondContact O-CB 3.47Å; A69-F73 PolarHBondContact O-N 2.76Å; C70-F73 PolarHBondContact O-N 2.81Å; I71-F73 PolarHBondContact O-N 3.46Å; F73-W77 HydrophobicContact CE1-CE3 4.34Å; F73-W77 HydrophobicContact CZ-CE3 4.3Å; F73-W77 WeakPolarHBondContact O-CB 3.42Å; F73-W77 PolarHBondContact O-N 3.16Å; F73-W77 VanDerWaalsContact O-N 3.09Å; F73-F88 HydrophobicContact CD2-CD1 4.23Å; F73-F88 HydrophobicContact CD2-CE1 4.26Å; F73-F88 HydrophobicContact CE2-CD1 4.06Å; F73-F88 AromaticContact CE2-CE1 3.93Å; F73-F88 HydrophobicContact CE2-CE1 3.93Å; F73-F88 HydrophobicContact CZ-CE1 4.32Å; F73-P91 HydrophobicContact CB-CB 3.91Å; F73-P91 HydrophobicContact CB-CG 4.43Å; F73-P91 HydrophobicContact CD2-CB 4.28Å; F73-P91 HydrophobicContact CD2-CG 4.35Å
74V83.4Confident75.5Confident74 Ų7479.1 Ų79.145%0.44840%0.404SS..Hα-helixtrans-65.2-44.4176169.60000110.7C70 I71 S72 W77 F78C70-V74 VanDerWaalsContact O-CG2 3.32Å; C70-V74 WeakPolarHBondContact O-CG2 3.29Å; C70-V74 PolarHBondContact O-N 3.27Å; I71-V74 WeakPolarHBondContact O-CB 3.42Å; I71-V74 PolarHBondContact O-N 2.88Å; S72-V74 PolarHBondContact O-N 3.5Å; V74-W77 WeakPolarHBondContact O-CB 3.23Å; V74-W77 PolarHBondContact O-N 3.33Å; V74-F78 HydrophobicContact CG1-CD2 3.7Å; V74-F78 HydrophobicContact CG1-CE2 3.82Å; V74-F78 VanDerWaalsContact O-CD2 3.22Å; V74-F78 WeakPolarHBondContact O-CD2 3.28Å; V74-F78 PolarHBondContact O-N 2.81Å; V74-F78 VanDerWaalsContact O-N 3.12Å
75L76.5Confident74.6Confident37 Ų3784.7 Ų84.719%0.19443%0.432CS..Hα-helixtrans-61.7-48.8178.7-68.8179.2000111.4I71 S72 W77 F78 E79 V293 K297I71-L75 HydrophobicContact CG2-CD1 3.95Å; I71-L75 HydrophobicContact CG2-CG 4.21Å; I71-L75 WeakPolarHBondContact O-CG 3.22Å; I71-L75 PolarHBondContact O-N 3.49Å; S72-L75 PolarHBondContact O-N 2.89Å; L75-W77 PolarHBondContact O-N 3.25Å; L75-F78 PolarHBondContact O-N 3.21Å; L75-F78 VanDerWaalsContact O-N 3.1Å; L75-E79 PolarHBondContact O-N 2.88Å; L75-V293 HydrophobicContact CD2-CG1 3.45Å; L75-V293 VanDerWaalsContact CD2-CG1 3.45Å; L75-K297 HydrophobicContact CD1-CB 4.22Å
76A78.6Confident74Confident12 Ų1286.4 Ų86.410%0.09944%0.443CS..Hα-helixtrans-59.5-30.6175.700000112.8S72 A87 F88S72-A76 WeakPolarHBondContact O-CB 3.36Å; S72-A76 PolarHBondContact O-N 3.44Å; A76-A87 HydrophobicContact CB-CB 4.27Å; A76-A87 WeakPolarHBondContact CB-O 3.07Å; A76-F88 HydrophobicContact CB-CD1 4.13Å; A76-F88 HydrophobicContact CB-CE1 4.13Å
77W81.5Confident73.4Confident172 Ų17284.8 Ų84.865%0.65244%0.438SS*.Hα-helixtrans-74.9-30.8177-168.8-82.6000113.6F73 V74 L75 F88F73-W77 HydrophobicContact CE1-CE3 4.34Å; F73-W77 HydrophobicContact CZ-CE3 4.3Å; F73-W77 WeakPolarHBondContact O-CB 3.42Å; F73-W77 PolarHBondContact O-N 3.16Å; F73-W77 VanDerWaalsContact O-N 3.09Å; V74-W77 WeakPolarHBondContact O-CB 3.23Å; V74-W77 PolarHBondContact O-N 3.33Å; L75-W77 PolarHBondContact O-N 3.25Å; W77-F88 HydrophobicContact CE3-CE1 4.17Å; W77-F88 AromaticContact CE3-CZ 3.9Å; W77-F88 HydrophobicContact CE3-CZ 3.9Å; W77-F88 HydrophobicContact CZ3-CZ 4.49Å
78F75.8Confident73.3Confident162 Ų16283.1 Ų83.171%0.71143%0.427SS*.Hα-helixtrans-97.4-0.3-178.9-76.5-71.7000113.8V74 L75 E80V74-F78 HydrophobicContact CG1-CD2 3.7Å; V74-F78 HydrophobicContact CG1-CE2 3.82Å; V74-F78 VanDerWaalsContact O-CD2 3.22Å; V74-F78 WeakPolarHBondContact O-CD2 3.28Å; V74-F78 PolarHBondContact O-N 2.81Å; V74-F78 VanDerWaalsContact O-N 3.12Å; L75-F78 PolarHBondContact O-N 3.21Å; L75-F78 VanDerWaalsContact O-N 3.1Å; F78-E80 PolarHBondContact O-N 2.91Å
79E69.1Low73.3Confident120 Ų12084.8 Ų84.856%0.56144%0.437SS*.  trans-75.2118.3178.6-159.6159-153.500110.6L75L75-E79 PolarHBondContact O-N 2.88Å
80E59.3Low73Confident180 Ų18085.8 Ų85.884%0.84144%0.44SS*.  trans-92.597.1178.5-69.6178.1160.700109.2F78F78-E80 PolarHBondContact O-N 2.91Å
81G57Low73Confident55 Ų5582.8 Ų82.857%0.56742%0.419SS*.SBendtrans-170.4167.8-179.600000115.7E83G81-E83 VanDerWaalsContact C-N 3.28Å; G81-E83 PolarHBondContact O-N 2.72Å
82E49.9Very low73.4Confident203 Ų20388 Ų8895%0.94944%0.441SS*.SBendtrans-71.4-13.4-176.5-73.3-174.2157.200114.2T84E82-T84 VanDerWaalsContact C-N 3.35Å; E82-T84 PolarHBondContact O-N 3.21Å
83E56.4Low73.6Confident127 Ų12790 Ų9059%0.59345%0.453SS*.  trans-89.942.6-175.6-71.4-159.9-17900115G81 I85 T86 A87G81-E83 VanDerWaalsContact C-N 3.28Å; G81-E83 PolarHBondContact O-N 2.72Å; E83-I85 PolarHBondContact O-N 2.88Å; E83-I85 VanDerWaalsContact O-N 3.08Å; E83-T86 PolarHBondContact O-N 2.69Å; E83-T86 PolarHBondContact O-OG1 2.8Å; E83-T86 PolarHBondContact OE2-OG1 2.71Å; E83-A87 PolarHBondContact O-N 3.07Å
84T60.5Low73.5Confident96 Ų9685.3 Ų85.359%0.58943%0.432SS*.THydrogen-bonded Turntrans-61-22-17554.20000115.5E82E82-T84 VanDerWaalsContact C-N 3.35Å; E82-T84 PolarHBondContact O-N 3.21Å
85I64.5Low73.8Confident150 Ų15085.5 Ų85.577%0.76943%0.43SS*.THydrogen-bonded Turntrans-85.1-36.3-177.5-59.8175.1000111.8E83E83-I85 PolarHBondContact O-N 2.88Å; E83-I85 VanDerWaalsContact O-N 3.08Å
86T69.8Low74.3Confident45 Ų4588.2 Ų88.228%0.27645%0.445SS..THydrogen-bonded Turntrans-84.6-28-177.343.10000112.6E83 F88 V89E83-T86 PolarHBondContact O-N 2.69Å; E83-T86 PolarHBondContact O-OG1 2.8Å; E83-T86 PolarHBondContact OE2-OG1 2.71Å; T86-F88 VanDerWaalsContact C-N 3.28Å; T86-F88 PolarHBondContact O-N 3.12Å; T86-V89 VanDerWaalsContact O-CB 3.29Å; T86-V89 WeakPolarHBondContact O-CB 3.46Å; T86-V89 WeakPolarHBondContact O-CG2 3.24Å; T86-V89 PolarHBondContact O-N 2.74Å
87A73.8Confident74.6Confident25 Ų2588.1 Ų88.121%0.20744%0.443CS..THydrogen-bonded Turntrans-58-33.8-179.900000114.1A76 E83 V89A76-A87 HydrophobicContact CB-CB 4.27Å; A76-A87 WeakPolarHBondContact CB-O 3.07Å; E83-A87 PolarHBondContact O-N 3.07Å; A87-V89 VanDerWaalsContact C-N 3.34Å; A87-V89 PolarHBondContact O-N 2.94Å
88F83.7Confident74.8Confident73 Ų7380.1 Ų80.132%0.3241%0.413SS..THydrogen-bonded Turntrans-84.1-2.5178.7-72.3-76.4000114.5F73 A76 W77 T86 P91 F92F73-F88 HydrophobicContact CD2-CD1 4.23Å; F73-F88 HydrophobicContact CD2-CE1 4.26Å; F73-F88 HydrophobicContact CE2-CD1 4.06Å; F73-F88 AromaticContact CE2-CE1 3.93Å; F73-F88 HydrophobicContact CE2-CE1 3.93Å; F73-F88 HydrophobicContact CZ-CE1 4.32Å; A76-F88 HydrophobicContact CB-CD1 4.13Å; A76-F88 HydrophobicContact CB-CE1 4.13Å; W77-F88 HydrophobicContact CE3-CE1 4.17Å; W77-F88 AromaticContact CE3-CZ 3.9Å; W77-F88 HydrophobicContact CE3-CZ 3.9Å; W77-F88 HydrophobicContact CZ3-CZ 4.49Å; T86-F88 VanDerWaalsContact C-N 3.28Å; T86-F88 PolarHBondContact O-N 3.12Å; F88-P91 HydrophobicContact CD1-CG 4.45Å; F88-P91 WeakPolarHBondContact O-CD 3.41Å; F88-P91 WeakPolarHBondContact O-CG 3.33Å; F88-F92 VanDerWaalsContact O-CB 3.23Å; F88-F92 WeakPolarHBondContact O-CB 3.47Å; F88-F92 PolarHBondContact O-N 2.79Å
89V82.2Confident75.4Confident39 Ų3976.4 Ų76.424%0.23640%0.399CS..Hα-helixtrans-64.9-46.1-179.8174.70000110.6T86 A87 F92 V93 I954T86-V89 VanDerWaalsContact O-CB 3.29Å; T86-V89 WeakPolarHBondContact O-CB 3.46Å; T86-V89 WeakPolarHBondContact O-CG2 3.24Å; T86-V89 PolarHBondContact O-N 2.74Å; A87-V89 VanDerWaalsContact C-N 3.34Å; A87-V89 PolarHBondContact O-N 2.94Å; V89-F92 PolarHBondContact O-N 3.39Å; V89-V93 HydrophobicContact CG1-CG2 3.96Å; V89-V93 WeakPolarHBondContact O-CB 3.44Å; V89-V93 VanDerWaalsContact O-CG2 3.24Å; V89-V93 WeakPolarHBondContact O-CG2 3.5Å; V89-V93 PolarHBondContact O-N 2.76Å; V89-I954 HydrophobicContact CG1-CG2 4.09Å
90E78.8Confident76.1Confident29 Ų2972.7 Ų72.714%0.13639%0.389CS..Hα-helixtrans-56.4-57.6-179.1-172.7-169.3130.100113.1S72 F92 V93 I94 P787 V788S72-E90 WeakPolarHBondContact CB-OE1 3.25Å; S72-E90 WeakPolarHBondContact OG-CG 3.47Å; S72-E90 PolarHBondContact OG-OE1 2.92Å; E90-F92 VanDerWaalsContact C-N 3.27Å; E90-F92 PolarHBondContact O-N 3.37Å; E90-V93 PolarHBondContact O-N 3.31Å; E90-I94 HydrophobicContact CG-CD1 4.25Å; E90-I94 WeakPolarHBondContact O-CG1 3.46Å; E90-I94 PolarHBondContact O-N 3.45Å; E90-I94 VanDerWaalsContact O-N 3.15Å; E90-P787 HydrophobicContact CG-CB 4.15Å; E90-V788 HydrophobicContact CB-CG2 4Å; E90-V788 HydrophobicContact CG-CG2 4.31Å
91P85.9Confident77Confident6 Ų666.3 Ų66.34%0.03936%0.361CS..Hα-helixtrans-65.4-30.8-179.625.3-34.5000112.7S72 F73 F88 L95S72-P91 WeakPolarHBondContact OG-CD 3.4Å; F73-P91 HydrophobicContact CB-CB 3.91Å; F73-P91 HydrophobicContact CB-CG 4.43Å; F73-P91 HydrophobicContact CD2-CB 4.28Å; F73-P91 HydrophobicContact CD2-CG 4.35Å; F88-P91 HydrophobicContact CD1-CG 4.45Å; F88-P91 WeakPolarHBondContact O-CD 3.41Å; F88-P91 WeakPolarHBondContact O-CG 3.33Å; P91-L95 WeakPolarHBondContact O-CB 3.3Å; P91-L95 PolarHBondContact O-N 2.9Å
92F88.2Confident78.3Confident137 Ų13764.1 Ų64.160%0.60134%0.337SS*.Hα-helixtrans-69.7-42.2177.8-174.9-99.8000112.3F88 V89 E90 L95 L96F88-F92 VanDerWaalsContact O-CB 3.23Å; F88-F92 WeakPolarHBondContact O-CB 3.47Å; F88-F92 PolarHBondContact O-N 2.79Å; V89-F92 PolarHBondContact O-N 3.39Å; E90-F92 VanDerWaalsContact C-N 3.27Å; E90-F92 PolarHBondContact O-N 3.37Å; F92-L95 PolarHBondContact O-N 3.07Å; F92-L96 HydrophobicContact CE1-CD1 4.06Å; F92-L96 VanDerWaalsContact O-CB 3.3Å; F92-L96 WeakPolarHBondContact O-CB 3.47Å; F92-L96 PolarHBondContact O-N 2.77Å
93V84.6Confident79.9Confident45 Ų4559.7 Ų59.727%0.27332%0.319SS..Hα-helixtrans-64.9-44177.71740000110.5V89 E90 L95 L96 I97 L791V89-V93 HydrophobicContact CG1-CG2 3.96Å; V89-V93 WeakPolarHBondContact O-CB 3.44Å; V89-V93 VanDerWaalsContact O-CG2 3.24Å; V89-V93 WeakPolarHBondContact O-CG2 3.5Å; V89-V93 PolarHBondContact O-N 2.76Å; E90-V93 PolarHBondContact O-N 3.31Å; V93-L95 PolarHBondContact O-N 2.84Å; V93-L96 PolarHBondContact O-N 2.78Å; V93-I97 HydrophobicContact CG1-CD1 4.09Å; V93-I97 WeakPolarHBondContact O-CG1 3.44Å; V93-I97 PolarHBondContact O-N 2.88Å; V93-L791 HydrophobicContact CG1-CD1 3.87Å
94I84.4Confident80.8Confident4 Ų456.5 Ų56.52%0.02131%0.308CS..Hα-helixtrans-60.6-47176.8-59.9167.7000110.3A69 E90 L96 I97 L98 V304 L791A69-I94 HydrophobicContact CB-CB 4.13Å; A69-I94 HydrophobicContact CB-CG2 3.71Å; E90-I94 HydrophobicContact CG-CD1 4.25Å; E90-I94 WeakPolarHBondContact O-CG1 3.46Å; E90-I94 PolarHBondContact O-N 3.45Å; E90-I94 VanDerWaalsContact O-N 3.15Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 3.25Å; I94-I97 PolarHBondContact O-N 3.39Å; I94-L98 HydrophobicContact CG2-CD1 4.46Å; I94-L98 WeakPolarHBondContact O-CG 3.35Å; I94-L98 PolarHBondContact O-N 3.28Å; I94-V304 HydrophobicContact CD1-CG2 4.31Å; I94-L791 HydrophobicContact CG1-CD1 3.87Å
95L88.9Confident81.4Confident78 Ų7852.4 Ų52.441%0.40829%0.285SS..Hα-helixtrans-62.4-39.8178.5-173.169000112.3P91 F92 V93 I97 L98 I99P91-L95 WeakPolarHBondContact O-CB 3.3Å; P91-L95 PolarHBondContact O-N 2.9Å; F92-L95 PolarHBondContact O-N 3.07Å; V93-L95 PolarHBondContact O-N 2.84Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 2.8Å; L95-L98 PolarHBondContact O-N 3.19Å; L95-I99 HydrophobicContact CG-CD1 4.04Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 2.97Å
96L88Confident82Confident94 Ų9446.1 Ų46.149%0.49225%0.253SS..Hα-helixtrans-61.5-42.5177.2-175.9152.2000111.4F92 V93 I94 I99 A100F92-L96 HydrophobicContact CE1-CD1 4.06Å; F92-L96 VanDerWaalsContact O-CB 3.3Å; F92-L96 WeakPolarHBondContact O-CB 3.47Å; F92-L96 PolarHBondContact O-N 2.77Å; V93-L96 PolarHBondContact O-N 2.78Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 3.25Å; L96-I99 PolarHBondContact O-N 3.47Å; L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 3.15Å
97I84Confident82Confident11 Ų1152.1 Ų52.16%0.05627%0.271CS..Hα-helixtrans-63.4-45.2176.3-69.1168.9000110.5V93 I94 L95 I99 A100 N101 E309 L791 L795V93-I97 HydrophobicContact CG1-CD1 4.09Å; V93-I97 WeakPolarHBondContact O-CG1 3.44Å; V93-I97 PolarHBondContact O-N 2.88Å; I94-I97 PolarHBondContact O-N 3.39Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 2.8Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 PolarHBondContact O-N 3.46Å; I97-A100 PolarHBondContact O-N 3.32Å; I97-N101 WeakPolarHBondContact O-CB 3.46Å; I97-N101 PolarHBondContact O-N 2.86Å; I97-E309 HydrophobicContact CG2-CB 4.3Å; I97-L791 HydrophobicContact CD1-CD2 3.86Å; I97-L795 HydrophobicContact CD1-CD2 4.38Å; I97-L795 HydrophobicContact CG1-CD2 4.41Å
98L86Confident81.6Confident4 Ų454.3 Ų54.32%0.02128%0.277CS..Hα-helixtrans-60-43.1177.4-69.9-178.5000112.3F57 V62 L65 L66 I94 L95 A102F57-L98 HydrophobicContact CE1-CB 4.21Å; V62-L98 HydrophobicContact CG1-CD2 3.94Å; L65-L98 HydrophobicContact CB-CD1 4.49Å; L65-L98 HydrophobicContact CB-CD2 4Å; L65-L98 HydrophobicContact CD1-CD2 4.25Å; L66-L98 HydrophobicContact CB-CD1 4.1Å; L66-L98 HydrophobicContact CD1-CD1 3.98Å; I94-L98 HydrophobicContact CG2-CD1 4.46Å; I94-L98 WeakPolarHBondContact O-CG 3.35Å; I94-L98 PolarHBondContact O-N 3.28Å; L95-L98 PolarHBondContact O-N 3.19Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 3.41Å
99I88.5Confident80.6Confident83 Ų8354.2 Ų54.243%0.42628%0.278SS..Hα-helixtrans-64.6-45.7176.1-69.2168.1000110.8L95 L96 I97 N101 A102 I103L95-I99 HydrophobicContact CG-CD1 4.04Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 2.97Å; L96-I99 PolarHBondContact O-N 3.47Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 PolarHBondContact O-N 3.46Å; I99-N101 VanDerWaalsContact C-N 3.35Å; I99-N101 PolarHBondContact O-N 3.09Å; I99-A102 PolarHBondContact O-N 3.47Å; I99-I103 HydrophobicContact CG2-CD1 3.77Å; I99-I103 HydrophobicContact CG2-CG1 4.4Å; I99-I103 VanDerWaalsContact O-CG1 3.29Å; I99-I103 WeakPolarHBondContact O-CG1 3.35Å; I99-I103 PolarHBondContact O-N 3Å
100A83.6Confident79.8Confident42 Ų4259.7 Ų59.735%0.34729%0.294SS..Hα-helixtrans-60.9-44.8178.900000111.5L96 I97 I103 V104L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 3.15Å; I97-A100 PolarHBondContact O-N 3.32Å; A100-I103 PolarHBondContact O-N 3.5Å; A100-V104 WeakPolarHBondContact O-CG2 3.16Å; A100-V104 PolarHBondContact O-N 3.11Å
101N78.8Confident78.6Confident46 Ų4662.8 Ų62.825%0.24631%0.312CS..Hα-helixtrans-62.3-44.2176.6-74.5-10.1000111.6I97 I99 I103 V104 G105I97-N101 WeakPolarHBondContact O-CB 3.46Å; I97-N101 PolarHBondContact O-N 2.86Å; I99-N101 VanDerWaalsContact C-N 3.35Å; I99-N101 PolarHBondContact O-N 3.09Å; N101-I103 PolarHBondContact O-N 3.34Å; N101-V104 PolarHBondContact O-N 2.82Å; N101-G105 PolarHBondContact O-N 2.9Å
102A83.6Confident77Confident10 Ų1065.6 Ų65.68%0.08334%0.335CS..Hα-helixtrans-63.2-41.2176.900000112.4Q56 F57 L98 I99 G105 V106Q56-A102 HydrophobicContact CB-CB 4.07Å; Q56-A102 HydrophobicContact CG-CB 4.42Å; F57-A102 HydrophobicContact CE2-CB 3.98Å; F57-A102 HydrophobicContact CZ-CB 4.14Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 3.41Å; I99-A102 PolarHBondContact O-N 3.47Å; A102-G105 PolarHBondContact O-N 2.94Å; A102-V106 VanDerWaalsContact O-CG2 3.3Å; A102-V106 WeakPolarHBondContact O-CG2 3.41Å; A102-V106 PolarHBondContact O-N 3.38Å
103I84.1Confident75.4Confident110 Ų11063.8 Ų63.856%0.56433%0.328SS*.Hα-helixtrans-61.9-45.7176.1-70167.5000110.8I99 A100 N101 W107I99-I103 HydrophobicContact CG2-CD1 3.77Å; I99-I103 HydrophobicContact CG2-CG1 4.4Å; I99-I103 VanDerWaalsContact O-CG1 3.29Å; I99-I103 WeakPolarHBondContact O-CG1 3.35Å; I99-I103 PolarHBondContact O-N 3Å; A100-I103 PolarHBondContact O-N 3.5Å; N101-I103 PolarHBondContact O-N 3.34Å; I103-W107 VanDerWaalsContact O-CB 3.29Å; I103-W107 WeakPolarHBondContact O-CB 3.23Å; I103-W107 PolarHBondContact O-N 3.38Å
104V74.6Confident74.2Confident59 Ų5966.2 Ų66.236%0.35834%0.34SS..Hα-helixtrans-62.7-43.7178172.70000110.6A100 N101 W107 Q108A100-V104 WeakPolarHBondContact O-CG2 3.16Å; A100-V104 PolarHBondContact O-N 3.11Å; N101-V104 PolarHBondContact O-N 2.82Å; V104-W107 PolarHBondContact O-N 3.29Å; V104-Q108 VanDerWaalsContact O-CG 3.32Å; V104-Q108 WeakPolarHBondContact O-CG 3.38Å; V104-Q108 PolarHBondContact O-N 3.34Å; V104-Q108 VanDerWaalsContact O-N 3.15Å
105G72.5Confident72.8Confident10 Ų1066.7 Ų66.710%0.10335%0.345CS..Hα-helixtrans-59.6-52.8176.900000112.8N101 A102 W107 Q108 E109N101-G105 PolarHBondContact O-N 2.9Å; A102-G105 PolarHBondContact O-N 2.94Å; G105-W107 VanDerWaalsContact C-N 3.3Å; G105-W107 PolarHBondContact O-N 2.97Å; G105-Q108 WeakPolarHBondContact O-CB 3.08Å; G105-Q108 PolarHBondContact O-N 3.05Å; G105-Q108 VanDerWaalsContact O-N 3.13Å; G105-E109 PolarHBondContact O-N 3.17Å
106V77.7Confident71.4Confident18 Ų1863.9 Ų63.911%0.10933%0.33CS..Hα-helixtrans-62.6-37179.7174.20000112L49 L52 V53 Q56 A102 Q108 E109 R110L49-V106 HydrophobicContact CD2-CG1 4.26Å; L52-V106 HydrophobicContact CB-CG1 4.35Å; L52-V106 HydrophobicContact CB-CG2 4.19Å; V53-V106 HydrophobicContact CB-CG2 4.48Å; V53-V106 HydrophobicContact CG2-CG2 3.8Å; Q56-V106 HydrophobicContact CG-CG2 4.1Å; A102-V106 VanDerWaalsContact O-CG2 3.3Å; A102-V106 WeakPolarHBondContact O-CG2 3.41Å; A102-V106 PolarHBondContact O-N 3.38Å; V106-Q108 VanDerWaalsContact C-N 3.31Å; V106-Q108 PolarHBondContact O-N 3.36Å; V106-E109 PolarHBondContact O-N 3.02Å; V106-R110 PolarHBondContact O-N 3.2Å
107W71.1Confident70.3Confident172 Ų17265.8 Ų65.865%0.65234%0.336SS*.Hα-helixtrans-66.4-33.4177.8-178.153.5000112.7I103 V104 G105 N111I103-W107 VanDerWaalsContact O-CB 3.29Å; I103-W107 WeakPolarHBondContact O-CB 3.23Å; I103-W107 PolarHBondContact O-N 3.38Å; V104-W107 PolarHBondContact O-N 3.29Å; G105-W107 VanDerWaalsContact C-N 3.3Å; G105-W107 PolarHBondContact O-N 2.97Å; W107-N111 PolarHBondContact O-ND2 3.37Å; W107-N111 VanDerWaalsContact O-ND2 3.14Å
108Q63.9Low69.5Low71 Ų7166 Ų6633%0.33234%0.339SS..Hα-helixtrans-69.2-43.1175.8-71.9174.66.700111.8V104 G105 V106 T316V104-Q108 VanDerWaalsContact O-CG 3.32Å; V104-Q108 WeakPolarHBondContact O-CG 3.38Å; V104-Q108 PolarHBondContact O-N 3.34Å; V104-Q108 VanDerWaalsContact O-N 3.15Å; G105-Q108 WeakPolarHBondContact O-CB 3.08Å; G105-Q108 PolarHBondContact O-N 3.05Å; G105-Q108 VanDerWaalsContact O-N 3.13Å; V106-Q108 VanDerWaalsContact C-N 3.31Å; V106-Q108 PolarHBondContact O-N 3.36Å; Q108-T316 PolarHBondContact NE2-OG1 3.33Å
109E64.1Low68.2Low71 Ų7165.8 Ų65.833%0.33234%0.339SS..Hα-helixtrans-71.2-37-173.5-157.6159.2-172.100112.5L52 G105 V106 N111 A112L52-E109 HydrophobicContact CD2-CB 4.32Å; L52-E109 HydrophobicContact CD2-CG 3.81Å; L52-E109 WeakPolarHBondContact CD2-OE2 3.35Å; G105-E109 PolarHBondContact O-N 3.17Å; V106-E109 PolarHBondContact O-N 3.02Å; E109-N111 VanDerWaalsContact C-N 3.26Å; E109-N111 PolarHBondContact O-N 3.4Å; E109-A112 WeakPolarHBondContact O-CB 3.31Å; E109-A112 PolarHBondContact O-N 2.82Å; E109-A112 VanDerWaalsContact O-N 3.14Å
110R64.4Low67.2Low153 Ų15365.4 Ų65.458%0.57733%0.334SS*.Hα-helixtrans-61.9-27.9179.5-173.2175.8176.9171.30.8114.4V106 A112V106-R110 PolarHBondContact O-N 3.2Å; R110-A112 PolarHBondContact O-N 3.49Å
111N54.1Low66.6Low95 Ų9570 Ų7051%0.50835%0.348SS..THydrogen-bonded Turntrans-77.8-4.8-179.2-66.7-41.1000113.1W107 E109W107-N111 PolarHBondContact O-ND2 3.37Å; W107-N111 VanDerWaalsContact O-ND2 3.14Å; E109-N111 VanDerWaalsContact C-N 3.26Å; E109-N111 PolarHBondContact O-N 3.4Å
112A51.6Low66.1Low64 Ų6469.7 Ų69.753%0.52934%0.344SS..THydrogen-bonded Turntrans-93.9-20.3-175.300000114.8E109 R110 D114E109-A112 WeakPolarHBondContact O-CB 3.31Å; E109-A112 PolarHBondContact O-N 2.82Å; E109-A112 VanDerWaalsContact O-N 3.14Å; R110-A112 PolarHBondContact O-N 3.49Å; A112-D114 PolarHBondContact O-N 3.24Å
113E55.3Low65.7Low99 Ų9972 Ų7246%0.46335%0.353SS..  trans-80.1-4.1-166-71.1-174.4152.500116.5A115E113-A115 VanDerWaalsContact C-N 3.25Å; E113-A115 PolarHBondContact O-N 2.91Å
114D58.2Low65.5Low96 Ų9667.9 Ų67.951%0.51333%0.333SS..THydrogen-bonded Turntrans-72.70.5-168.8-68.2-17.5000116.4A112A112-D114 PolarHBondContact O-N 3.24Å
115A55.5Low66.1Low15 Ų1572.7 Ų72.712%0.12435%0.351CS..THydrogen-bonded Turntrans-77.8-40.4-165.200000116.6E113 E117 A118 S727E113-A115 VanDerWaalsContact C-N 3.25Å; E113-A115 PolarHBondContact O-N 2.91Å; A115-E117 VanDerWaalsContact C-N 3.31Å; A115-A118 PolarHBondContact O-N 3.33Å; A115-S727 VanDerWaalsContact CA-CB 3.45Å; A115-S727 VanDerWaalsContact CA-OG 3.23Å; A115-S727 WeakPolarHBondContact CA-OG 3.28Å; A115-S727 WeakPolarHBondContact CB-O 3.33Å; A115-S727 WeakPolarHBondContact CB-OG 3.42Å; A115-S727 PolarHBondContact O-OG 3.33Å; A115-S727 VanDerWaalsContact O-OG 3.09Å
116I58.9Low67Low18 Ų1874.8 Ų74.89%0.09236%0.359CS..THydrogen-bonded Turntrans-78.5-22.6-176.6-72.1167.2000110.8E44 L119E44-I116 WeakPolarHBondContact OE2-CD1 3.38Å; I116-L119 PolarHBondContact O-N 2.9Å
117E66.6Low67.7Low135 Ų13574.3 Ų74.363%0.63136%0.358SS*.Hα-helixtrans-68.8-33.5174.3-164.5162-154.600112.3A115 L119 K120A115-E117 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.09Å; E117-K120 WeakPolarHBondContact O-CB 3.14Å; E117-K120 PolarHBondContact O-N 2.53Å; E117-K120 VanDerWaalsContact O-N 3.09Å
118A65.9Low68.8Low14 Ų1468.5 Ų68.512%0.11634%0.337CS..Hα-helixtrans-63.6-25.1177.100000113.7A115 K120 E121 A723 V724A115-A118 PolarHBondContact O-N 3.33Å; A118-K120 VanDerWaalsContact C-N 3.29Å; A118-K120 PolarHBondContact O-N 2.68Å; A118-E121 PolarHBondContact O-N 3.2Å; A118-A723 HydrophobicContact CB-CB 4.38Å; A118-V724 HydrophobicContact CB-CG2 4.26Å
119L60.1Low70.4Confident1 Ų165.1 Ų65.11%0.00532%0.321CS..Hα-helixtrans-65.7-32.6174.9-79.6165.6000112.1I116 E117 E121 Y122 R236 M239 V703 V724I116-L119 PolarHBondContact O-N 2.9Å; E117-L119 PolarHBondContact O-N 3.09Å; L119-E121 PolarHBondContact O-N 3.24Å; L119-Y122 PolarHBondContact O-N 3.45Å; L119-Y122 VanDerWaalsContact O-N 3.1Å; L119-R236 HydrophobicContact CD1-CB 4.13Å; L119-R236 HydrophobicContact CD1-CG 4.22Å; L119-M239 HydrophobicContact CD1-CE 4.37Å; L119-M239 HydrophobicContact CD1-SD 3.9Å; L119-V703 HydrophobicContact CD2-CG1 3.73Å; L119-V724 HydrophobicContact CB-CG2 4.35Å; L119-V724 HydrophobicContact CD2-CB 4.23Å; L119-V724 HydrophobicContact CD2-CG1 3.52Å; L119-V724 HydrophobicContact CD2-CG2 3.62Å; L119-V724 HydrophobicContact CG-CG1 3.89Å; L119-V724 HydrophobicContact CG-CG2 3.82Å
120K66.9Low71.8Confident75 Ų7564 Ų6433%0.32632%0.315SS..Hα-helixtrans-66.4-23.4-179-67.3-178.6178172.30112.7E117 A118 Y122 E123E117-K120 WeakPolarHBondContact O-CB 3.14Å; E117-K120 PolarHBondContact O-N 2.53Å; E117-K120 VanDerWaalsContact O-N 3.09Å; A118-K120 VanDerWaalsContact C-N 3.29Å; A118-K120 PolarHBondContact O-N 2.68Å; K120-Y122 PolarHBondContact O-N 2.92Å; K120-Y122 VanDerWaalsContact O-N 3.15Å; K120-E123 PolarHBondContact O-N 3.22Å
121E70.5Confident73.2Confident138 Ų13857.5 Ų57.565%0.64529%0.29SS*.THydrogen-bonded Turntrans-63.4-18.1174.4-61.4-170.8160.700113.1A118 L119 K158A118-E121 PolarHBondContact O-N 3.2Å; L119-E121 PolarHBondContact O-N 3.24Å; E121-K158 PolarHBondContact O-NZ 3.45Å
122Y67.6Low74.9Confident40 Ų4058.1 Ų58.116%0.15729%0.29CS..THydrogen-bonded Turntrans-87.7-10.7176.3-66.6-86.6000113.7L119 K120 K158 I179 V703 T722 V724L119-Y122 PolarHBondContact O-N 3.45Å; L119-Y122 VanDerWaalsContact O-N 3.1Å; K120-Y122 PolarHBondContact O-N 2.92Å; K120-Y122 VanDerWaalsContact O-N 3.15Å; Y122-K158 WeakPolarHBondContact O-CD 3.29Å; Y122-I179 HydrophobicContact CD1-CG2 4.27Å; Y122-I179 HydrophobicContact CE1-CG2 3.96Å; Y122-V703 HydrophobicContact CE2-CG2 4.46Å; Y122-T722 WeakPolarHBondContact OH-CB 3.36Å; Y122-V724 HydrophobicContact CD2-CG2 3.85Å; Y122-V724 HydrophobicContact CE2-CB 4.48Å; Y122-V724 HydrophobicContact CE2-CG2 3.48Å; Y122-V724 VanDerWaalsContact CE2-CG2 3.48Å
123E75.4Confident76.8Confident58 Ų5858.4 Ų58.427%0.27128%0.282SS..SBendtrans-78.1124.3171.8-63.9-170.4149.900109.9E40 L41 K120E40-E123 WeakPolarHBondContact CA-OE1 3.39Å; L41-E123 VanDerWaalsContact CG-OE1 3.22Å; L41-E123 WeakPolarHBondContact CG-OE1 3.37Å; L41-E123 PolarHBondContact N-OE1 2.75Å; K120-E123 PolarHBondContact O-N 3.22Å
124P80.8Confident78.3Confident23 Ų2360.8 Ų60.815%0.14929%0.287CS..  trans-69.1142.3173.827.6-31.1000110.1M126 A142 K158 P160P124-M126 PolarHBondContact O-N 3.09Å; P124-A142 HydrophobicContact CG-CB 4.14Å; P124-A142 WeakPolarHBondContact O-CB 3.37Å; P124-K158 HydrophobicContact CB-CB 4.27Å; P124-P160 HydrophobicContact CG-CB 3.81Å
125E86.2Confident79.5Confident160 Ų16066 Ų6675%0.74831%0.305SS*.SBendtrans-64.8-32.2175.8-167-173.9173.100111.9K141 A142E125-K141 WeakPolarHBondContact O-CA 3.47Å; E125-A142 PolarHBondContact O-N 3.36Å
126M91.4Very high81.1Confident55 Ų5570 Ų7027%0.27133%0.328SS..EExtended strand (participates in β ladder)trans-134.9149.8-172.4-58.3-67.8-72.500112.1P124 R139 I140 K141P124-M126 PolarHBondContact O-N 3.09Å; M126-R139 HydrophobicContact CB-CG 4.04Å; M126-R139 HydrophobicContact CE-CG 3.92Å; M126-I140 CarbonylContact C-O 3.51Å; M126-I140 WeakPolarHBondContact CA-O 3.32Å; M126-I140 VanDerWaalsContact CE-C 3.45Å; M126-I140 WeakPolarHBondContact CE-O 3.42Å; M126-K141 HydrophobicContact SD-CB 4.44Å; M126-K141 HydrophobicContact SD-CG 3.92Å
127G92.8Very high82.7Confident7 Ų771.8 Ų71.87%0.07234%0.34CS..EExtended strand (participates in β ladder)trans-135.2166.9170.700000112.5R139 I140G127-R139 CarbonylContact O-C 3.56Å; G127-R139 VanDerWaalsContact O-CA 3.32Å; G127-R139 WeakPolarHBondContact O-CA 3.29Å; G127-I140 PolarHBondContact N-O 2.9Å; G127-I140 PolarHBondContact O-N 2.92Å
128K95.3Very high83.9Confident50 Ų5066.1 Ų66.122%0.21731%0.313CS..EExtended strand (participates in β ladder)trans-109.9123-177.3-77.8174.5-77-167.20110.4V137 Q138 R139 V151 E152 D157K128-V137 HydrophobicContact CB-CG2 3.82Å; K128-V137 HydrophobicContact CG-CG2 4.27Å; K128-Q138 CarbonylContact C-O 3.51Å; K128-Q138 WeakPolarHBondContact CA-O 3.26Å; K128-R139 HydrophobicContact CG-CG 4.49Å; K128-V151 VanDerWaalsContact O-CA 3.25Å; K128-V151 WeakPolarHBondContact O-CA 3.42Å; K128-E152 HydrophobicContact CB-CB 4.31Å; K128-E152 WeakPolarHBondContact CB-O 3.5Å; K128-E152 PolarHBondContact O-N 3.19Å; K128-D157 WeakPolarHBondContact CE-OD2 3.32Å; K128-D157 IonicContact NZ-OD1 2.75Å; K128-D157 PolarHBondContact NZ-OD1 3.11Å; K128-D157 IonicContact NZ-OD2 3.01Å; K128-D157 PolarHBondContact NZ-OD2 2.95Å
129V95.9Very high85.2Confident0 Ų074.3 Ų74.30%034%0.341CS..EExtended strand (participates in β ladder)trans-129.2155.1-177.7-62.80000112.7R131 Q138 I140 I145 D149 I150 V151V129-R131 HydrophobicContact CG2-CG 4.17Å; V129-Q138 HydrophobicContact CG2-CB 4.26Å; V129-Q138 PolarHBondContact N-O 3.21Å; V129-Q138 PolarHBondContact O-N 3.36Å; V129-I140 HydrophobicContact CG1-CD1 4.03Å; V129-I140 HydrophobicContact CG1-CG1 4.35Å; V129-I140 HydrophobicContact CG2-CD1 3.68Å; V129-I140 HydrophobicContact CG2-CG1 3.93Å; V129-I140 HydrophobicContact CG2-CG2 4.29Å; V129-I145 HydrophobicContact CG1-CD1 4.29Å; V129-I145 HydrophobicContact CG1-CG1 4.01Å; V129-D149 HydrophobicContact CG1-CB 4.3Å; V129-I150 CarbonylContact C-O 3.51Å; V129-I150 WeakPolarHBondContact CA-O 3.4Å; V129-V151 HydrophobicContact CG1-CG1 3.78Å
130Y94Very high86.9Confident49 Ų4975.2 Ų75.219%0.19235%0.346CS..EExtended strand (participates in β ladder)trans-104.9128.4161.8-66-86.3000108.7G23 V137 I150 E152G23-Y130 WeakPolarHBondContact CA-O 3.23Å; Y130-V137 HydrophobicContact CD1-CB 4.47Å; Y130-V137 HydrophobicContact CE1-CB 3.89Å; Y130-V137 HydrophobicContact CE2-CB 4.45Å; Y130-V137 HydrophobicContact CE2-CG2 4.32Å; Y130-I150 HydrophobicContact CD2-CG2 4Å; Y130-I150 PolarHBondContact N-O 3.16Å; Y130-E152 HydrophobicContact CE2-CB 3.94Å; Y130-E152 PolarHBondContact OH-OE2 3.45Å
131R93.5Very high88.2Confident16 Ų1676 Ų766%0.0635%0.349CS..EExtended strand (participates in β ladder)trans-139.7151.3178.3-72.1-179.4175.8170.20.6109.1T22 L24 V129 D133 R134 E144 D149T22-R131 CarbonylContact O-C 3.56Å; T22-R131 WeakPolarHBondContact O-CA 3.37Å; L24-R131 WeakPolarHBondContact O-CA 3.49Å; V129-R131 HydrophobicContact CG2-CG 4.17Å; R131-D133 VanDerWaalsContact CB-OD1 3.26Å; R131-D133 WeakPolarHBondContact CB-OD1 3.4Å; R131-D133 PolarHBondContact O-N 2.77Å; R131-D133 VanDerWaalsContact O-N 3.07Å; R131-R134 PolarHBondContact O-N 2.86Å; R131-R134 VanDerWaalsContact O-N 3.14Å; R131-E144 PolarHBondContact NH2-O 3.42Å; R131-D149 IonicContact CZ-OD1 2.71Å; R131-D149 IonicContact CZ-OD2 2.98Å; R131-D149 IonicContact NE-OD1 3.59Å; R131-D149 PolarHBondContact NE-OD1 2.99Å; R131-D149 VanDerWaalsContact NE-OD1 3.11Å; R131-D149 IonicContact NE-OD2 3.24Å; R131-D149 IonicContact NH2-OD1 2.81Å; R131-D149 IonicContact NH2-OD2 2.78Å; R131-D149 PolarHBondContact NH2-OD2 3Å
132Q91.4Very high89.3Confident108 Ų10869.7 Ų69.751%0.50532%0.321SS..THydrogen-bonded Turntrans-64.7-20.5-167.6-67-178.45.200113.9T22 G23 L24 R134T22-Q132 WeakPolarHBondContact O-CA 3.3Å; T22-Q132 PolarHBondContact O-N 2.95Å; G23-Q132 WeakPolarHBondContact O-CG 3.32Å; G23-Q132 PolarHBondContact O-NE2 2.86Å; L24-Q132 PolarHBondContact O-N 3.06Å; Q132-R134 PolarHBondContact O-N 2.58Å
133D90Very high90.6Very high69 Ų6973 Ų7337%0.36933%0.333SS..THydrogen-bonded Turntrans-69.4-19.7179.670.5-56.7000112.9L26 R131 Q138L26-D133 HydrophobicContact CD1-CB 3.99Å; L26-D133 HydrophobicContact CD2-CB 4.45Å; L26-D133 HydrophobicContact CG-CB 4.15Å; R131-D133 VanDerWaalsContact CB-OD1 3.26Å; R131-D133 WeakPolarHBondContact CB-OD1 3.4Å; R131-D133 PolarHBondContact O-N 2.77Å; R131-D133 VanDerWaalsContact O-N 3.07Å; D133-Q138 VanDerWaalsContact CG-NE2 3.31Å; D133-Q138 PolarHBondContact OD1-NE2 2.87Å; D133-Q138 PolarHBondContact OD2-NE2 3.03Å
134R88.4Confident91.5Very high149 Ų14973.3 Ų73.356%0.56233%0.334SS*.EExtended strand (participates in β ladder)trans-140.7143.3175.2-51.9-179.5-164.5-176.5-5112.7R131 Q132 Q138R131-R134 PolarHBondContact O-N 2.86Å; R131-R134 VanDerWaalsContact O-N 3.14Å; Q132-R134 PolarHBondContact O-N 2.58Å; R134-Q138 HydrophobicContact CB-CG 4.23Å; R134-Q138 VanDerWaalsContact CB-NE2 3.27Å; R134-Q138 VanDerWaalsContact CD-CD 3.49Å; R134-Q138 HydrophobicContact CG-CG 4.44Å
135K82.9Confident92.2Very high206 Ų20672.2 Ų72.290%0.89633%0.327SS*.EExtended strand (participates in β ladder)trans-75-24.6177.5-166.3173-178.4178.50113.8
136T89.5Confident92.7Very high100 Ų10064.7 Ų64.761%0.61329%0.292SS*.EExtended strand (participates in β ladder)trans-98.5152.9-179.556.10000111.1Q138T136-Q138 PolarHBondContact O-N 3.12Å
137V90.9Very high92.9Very high54 Ų5462 Ų6233%0.32728%0.279SS..EExtended strand (participates in β ladder)trans-52.5135.7173.569.10000111.1K128 Y130 E152K128-V137 HydrophobicContact CB-CG2 3.82Å; K128-V137 HydrophobicContact CG-CG2 4.27Å; Y130-V137 HydrophobicContact CD1-CB 4.47Å; Y130-V137 HydrophobicContact CE1-CB 3.89Å; Y130-V137 HydrophobicContact CE2-CB 4.45Å; Y130-V137 HydrophobicContact CE2-CG2 4.32Å; V137-E152 HydrophobicContact CG2-CB 4.33Å
138Q92.5Very high93Very high16 Ų1661.7 Ų61.78%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-110.8136.4179.4-48.9-172.32700109.4K128 V129 D133 R134 T136 I140K128-Q138 CarbonylContact C-O 3.51Å; K128-Q138 WeakPolarHBondContact CA-O 3.26Å; V129-Q138 HydrophobicContact CG2-CB 4.26Å; V129-Q138 PolarHBondContact N-O 3.21Å; V129-Q138 PolarHBondContact O-N 3.36Å; D133-Q138 VanDerWaalsContact CG-NE2 3.31Å; D133-Q138 PolarHBondContact OD1-NE2 2.87Å; D133-Q138 PolarHBondContact OD2-NE2 3.03Å; R134-Q138 HydrophobicContact CB-CG 4.23Å; R134-Q138 VanDerWaalsContact CB-NE2 3.27Å; R134-Q138 VanDerWaalsContact CD-CD 3.49Å; R134-Q138 HydrophobicContact CG-CG 4.44Å; T136-Q138 PolarHBondContact O-N 3.12Å; Q138-I140 HydrophobicContact CB-CG2 4.36Å
139R93.4Very high93Very high187 Ų18759.3 Ų59.371%0.70627%0.265SS*.EExtended strand (participates in β ladder)trans-98.2113.9171.6-167.3179.4169.1-171.9-4.8108.6M126 G127 K128M126-R139 HydrophobicContact CB-CG 4.04Å; M126-R139 HydrophobicContact CE-CG 3.92Å; G127-R139 CarbonylContact O-C 3.56Å; G127-R139 VanDerWaalsContact O-CA 3.32Å; G127-R139 WeakPolarHBondContact O-CA 3.29Å; K128-R139 HydrophobicContact CG-CG 4.49Å
140I94.7Very high93.1Very high19 Ų1959.3 Ų59.310%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-121.7169.2-177.664.5169.3000110.4M126 G127 V129 Q138 E144 I145M126-I140 CarbonylContact C-O 3.51Å; M126-I140 WeakPolarHBondContact CA-O 3.32Å; M126-I140 VanDerWaalsContact CE-C 3.45Å; M126-I140 WeakPolarHBondContact CE-O 3.42Å; G127-I140 PolarHBondContact N-O 2.9Å; G127-I140 PolarHBondContact O-N 2.92Å; V129-I140 HydrophobicContact CG1-CD1 4.03Å; V129-I140 HydrophobicContact CG1-CG1 4.35Å; V129-I140 HydrophobicContact CG2-CD1 3.68Å; V129-I140 HydrophobicContact CG2-CG1 3.93Å; V129-I140 HydrophobicContact CG2-CG2 4.29Å; Q138-I140 HydrophobicContact CB-CG2 4.36Å; I140-E144 HydrophobicContact CD1-CB 4.26Å; I140-I145 HydrophobicContact CD1-CG1 3.99Å; I140-I145 HydrophobicContact CG1-CG1 4.3Å
141K94.8Very high93.2Very high93 Ų9357.1 Ų57.140%0.40426%0.257SS..EExtended strand (participates in β ladder)trans-63.6136.1173.2-65.5-171.3175-166.40110E125 M126 R143 E144E125-K141 WeakPolarHBondContact O-CA 3.47Å; M126-K141 HydrophobicContact SD-CB 4.44Å; M126-K141 HydrophobicContact SD-CG 3.92Å; K141-R143 HydrophobicContact CB-CG 4.11Å; K141-R143 PolarHBondContact O-N 3.06Å; K141-E144 HydrophobicContact CB-CG 4.28Å; K141-E144 WeakPolarHBondContact O-CB 3Å; K141-E144 PolarHBondContact O-N 3.16Å
142A93.7Very high93.3Very high5 Ų557.1 Ų57.14%0.04126%0.258CS..G310 helixtrans-61.1-33.8-176.400000112.5N39 P124 E125 E144 I145 P160N39-A142 WeakPolarHBondContact CB-O 3.41Å; N39-A142 PolarHBondContact ND2-O 2.9Å; P124-A142 HydrophobicContact CG-CB 4.14Å; P124-A142 WeakPolarHBondContact O-CB 3.37Å; E125-A142 PolarHBondContact O-N 3.36Å; A142-E144 PolarHBondContact O-N 2.92Å; A142-E144 VanDerWaalsContact O-N 3.12Å; A142-I145 VanDerWaalsContact O-CB 3.29Å; A142-I145 WeakPolarHBondContact O-CB 3.27Å; A142-I145 PolarHBondContact O-N 3.16Å; A142-P160 HydrophobicContact CB-CB 4.12Å
143R94.3Very high93.5Very high108 Ų10852.2 Ų52.241%0.40824%0.235SC..G310 helixtrans-60-18.517472.6179.2-171.3173.33.7115.3L38 N39 E40 K141L38-R143 VanDerWaalsContact CD2-O 3.24Å; L38-R143 WeakPolarHBondContact CD2-O 3.3Å; N39-R143 PolarHBondContact N-O 2.66Å; N39-R143 VanDerWaalsContact O-CA 3.31Å; N39-R143 WeakPolarHBondContact O-CA 3.42Å; E40-R143 HydrophobicContact CB-CB 4.29Å; E40-R143 WeakPolarHBondContact OE2-CD 3.4Å; K141-R143 HydrophobicContact CB-CG 4.11Å; K141-R143 PolarHBondContact O-N 3.06Å
144E94.9Very high93.7Very high66 Ų6650 Ų5031%0.30823%0.226SC..G310 helixtrans-94-1178.7-64.7-179.9-171.300113.5R131 I140 K141 A142R131-E144 PolarHBondContact NH2-O 3.42Å; I140-E144 HydrophobicContact CD1-CB 4.26Å; K141-E144 HydrophobicContact CB-CG 4.28Å; K141-E144 WeakPolarHBondContact O-CB 3Å; K141-E144 PolarHBondContact O-N 3.16Å; A142-E144 PolarHBondContact O-N 2.92Å; A142-E144 VanDerWaalsContact O-N 3.12Å
145I96.3Very high93.9Very high0 Ų047.5 Ų47.50%023%0.227CC..  trans-74138.6172.8-66.5174.9000108.8N39 V129 I140 A142 D149 V151 P160 A161 V223N39-I145 VanDerWaalsContact CB-O 3.29Å; N39-I145 WeakPolarHBondContact CB-O 3.26Å; V129-I145 HydrophobicContact CG1-CD1 4.29Å; V129-I145 HydrophobicContact CG1-CG1 4.01Å; I140-I145 HydrophobicContact CD1-CG1 3.99Å; I140-I145 HydrophobicContact CG1-CG1 4.3Å; A142-I145 VanDerWaalsContact O-CB 3.29Å; A142-I145 WeakPolarHBondContact O-CB 3.27Å; A142-I145 PolarHBondContact O-N 3.16Å; I145-D149 HydrophobicContact CG2-CB 4.36Å; I145-V151 HydrophobicContact CG2-CG1 4.45Å; I145-P160 HydrophobicContact CD1-CB 3.74Å; I145-P160 HydrophobicContact CD1-CG 3.72Å; I145-A161 HydrophobicContact CG2-CB 4.46Å; I145-V223 HydrophobicContact CG2-CB 4.39Å; I145-V223 HydrophobicContact CG2-CG1 4.19Å; I145-V223 HydrophobicContact CG2-CG2 3.61Å
146V96.2Very high94Very high1 Ų141 Ų411%0.00622%0.218CC..  trans-129.4156.9-177.8-64.70000111.7L24 V29 Q32 K33 G148 D149L24-V146 HydrophobicContact CD1-CG2 4.11Å; V29-V146 HydrophobicContact CG1-CG2 4.3Å; Q32-V146 HydrophobicContact CB-CB 3.85Å; Q32-V146 HydrophobicContact CB-CG1 4.44Å; Q32-V146 HydrophobicContact CB-CG2 3.78Å; Q32-V146 HydrophobicContact CG-CG2 4.49Å; K33-V146 HydrophobicContact CB-CG1 3.95Å; V146-G148 PolarHBondContact O-N 2.91Å; V146-D149 PolarHBondContact N-OD2 3.43Å; V146-D149 WeakPolarHBondContact O-CB 3.47Å; V146-D149 PolarHBondContact O-N 3.35Å
147P96.2Very high94.1Very high0 Ų038.2 Ų38.20%020%0.199CC..THydrogen-bonded Turntrans-55.7127.5173.5-27.437.8000112F16 W36 T226F16-P147 HydrophobicContact CE1-CB 3.87Å; F16-P147 HydrophobicContact CZ-CB 4.33Å; W36-P147 HydrophobicContact CB-CG 4.12Å; W36-P147 HydrophobicContact CD2-CG 3.96Å; W36-P147 HydrophobicContact CG-CB 4.47Å; W36-P147 HydrophobicContact CG-CG 3.7Å; P147-T226 WeakPolarHBondContact CD-OG1 3.48Å; P147-T226 HydrophobicContact CG-CG2 4.09Å
148G94Very high94.2Very high0 Ų038.7 Ų38.70%020%0.197CC..THydrogen-bonded Turntrans101.5-15.1-17400000114.9L24 V146 I150 V223L24-G148 VanDerWaalsContact CD1-C 3.47Å; L24-G148 WeakPolarHBondContact CG-O 3.44Å; V146-G148 PolarHBondContact O-N 2.91Å; G148-I150 PolarHBondContact O-N 3.18Å; G148-V223 PolarHBondContact N-O 3.28Å
149D96Very high94.3Very high0 Ų037.9 Ų37.90%019%0.194CC..  trans-60.1139.1174.3-90.6-33.5000110.3V129 R131 I145 V146 V222 V223V129-D149 HydrophobicContact CG1-CB 4.3Å; R131-D149 IonicContact CZ-OD1 2.71Å; R131-D149 IonicContact CZ-OD2 2.98Å; R131-D149 IonicContact NE-OD1 3.59Å; R131-D149 PolarHBondContact NE-OD1 2.99Å; R131-D149 VanDerWaalsContact NE-OD1 3.11Å; R131-D149 IonicContact NE-OD2 3.24Å; R131-D149 IonicContact NH2-OD1 2.81Å; R131-D149 IonicContact NH2-OD2 2.78Å; R131-D149 PolarHBondContact NH2-OD2 3Å; I145-D149 HydrophobicContact CG2-CB 4.36Å; V146-D149 PolarHBondContact N-OD2 3.43Å; V146-D149 WeakPolarHBondContact O-CB 3.47Å; V146-D149 PolarHBondContact O-N 3.35Å; D149-V222 WeakPolarHBondContact O-CA 3.43Å; D149-V223 HydrophobicContact CB-CG2 4.17Å; D149-V223 PolarHBondContact O-N 3.2Å
150I96.8Very high94.4Very high0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-85.9121.1169.5-57.8-63.8000107.8Y13 V18 V129 Y130 G148 V220 G221 V222Y13-I150 HydrophobicContact CD1-CD1 4.46Å; Y13-I150 HydrophobicContact CE1-CD1 3.88Å; V18-I150 HydrophobicContact CG1-CD1 3.99Å; V18-I150 HydrophobicContact CG2-CD1 3.99Å; V18-I150 HydrophobicContact CG2-CG1 3.74Å; V129-I150 CarbonylContact C-O 3.51Å; V129-I150 WeakPolarHBondContact CA-O 3.4Å; Y130-I150 HydrophobicContact CD2-CG2 4Å; Y130-I150 PolarHBondContact N-O 3.16Å; G148-I150 PolarHBondContact O-N 3.18Å; I150-V220 HydrophobicContact CG2-CG1 3.52Å; I150-G221 CarbonylContact C-O 3.55Å; I150-G221 WeakPolarHBondContact CA-O 3.38Å; I150-V222 HydrophobicContact CD1-CB 4.41Å; I150-V222 HydrophobicContact CD1-CG2 3.41Å; I150-V222 VanDerWaalsContact CD1-CG2 3.41Å
151V96.5Very high94.5Very high2 Ų228.3 Ų28.31%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-116.5147.2-175.3-73.70000111.5K128 V129 I145 I163 V220 G221 V223K128-V151 VanDerWaalsContact O-CA 3.25Å; K128-V151 WeakPolarHBondContact O-CA 3.42Å; V129-V151 HydrophobicContact CG1-CG1 3.78Å; I145-V151 HydrophobicContact CG2-CG1 4.45Å; V151-I163 HydrophobicContact CB-CD1 4.39Å; V151-I163 HydrophobicContact CG2-CB 4.3Å; V151-I163 HydrophobicContact CG2-CD1 3.48Å; V151-I163 VanDerWaalsContact CG2-CD1 3.48Å; V151-I163 HydrophobicContact CG2-CG1 3.6Å; V151-I163 HydrophobicContact CG2-CG2 3.67Å; V151-V220 WeakPolarHBondContact O-CA 3.42Å; V151-G221 WeakPolarHBondContact CG2-O 3.37Å; V151-G221 PolarHBondContact N-O 2.79Å; V151-G221 PolarHBondContact O-N 2.95Å; V151-V223 HydrophobicContact CB-CG2 4.39Å; V151-V223 HydrophobicContact CG1-CG2 3.53Å; V151-V223 HydrophobicContact CG2-CG2 3.91Å
152E96.3Very high94.6Very high17 Ų1724.1 Ų24.18%0.07914%0.139CC..EExtended strand (participates in β ladder)trans-113.9131.3174.1-173.3175.4105.500110.2K128 Y130 V137 K218 V220K128-E152 HydrophobicContact CB-CB 4.31Å; K128-E152 WeakPolarHBondContact CB-O 3.5Å; K128-E152 PolarHBondContact O-N 3.19Å; Y130-E152 HydrophobicContact CE2-CB 3.94Å; Y130-E152 PolarHBondContact OH-OE2 3.45Å; V137-E152 HydrophobicContact CG2-CB 4.33Å; E152-K218 WeakPolarHBondContact OE1-CE 3.37Å; E152-K218 IonicContact OE1-NZ 3.93Å; E152-K218 PolarHBondContact OE1-NZ 3.47Å; E152-K218 WeakPolarHBondContact OE2-CE 3.11Å; E152-K218 IonicContact OE2-NZ 2.78Å; E152-K218 PolarHBondContact OE2-NZ 2.81Å; E152-K218 VanDerWaalsContact OE2-NZ 3.1Å; E152-V220 HydrophobicContact CG-CG2 4.46Å
153V96.1Very high94.7Very high5 Ų524 Ų243%0.0314%0.137CC..EExtended strand (participates in β ladder)trans-126.9144.7173.7-61.30000110.4L208 I214 K218 A219V153-L208 HydrophobicContact CG2-CD1 3.57Å; V153-I214 HydrophobicContact CB-CD1 4.26Å; V153-I214 HydrophobicContact CB-CG1 3.91Å; V153-I214 HydrophobicContact CG2-CD1 3.89Å; V153-I214 HydrophobicContact CG2-CG1 4.02Å; V153-K218 WeakPolarHBondContact O-CA 3.47Å; V153-A219 HydrophobicContact CG2-CB 4.32Å; V153-A219 PolarHBondContact N-O 3.37Å; V153-A219 PolarHBondContact O-N 3.42Å
154A93.6Very high94.9Very high21 Ų2118.8 Ų18.817%0.17412%0.118CC..EExtended strand (participates in β ladder)trans-140168.7179.600000110.3G156 D157 I214 G217 K218A154-G156 PolarHBondContact O-N 3.28Å; A154-D157 PolarHBondContact N-OD2 3.07Å; A154-D157 VanDerWaalsContact O-CB 3.25Å; A154-D157 WeakPolarHBondContact O-CB 3.22Å; A154-D157 PolarHBondContact O-N 3.02Å; A154-I214 VanDerWaalsContact O-CB 3.31Å; A154-I214 WeakPolarHBondContact O-CB 3.43Å; A154-G217 CarbonylContact C-O 3.54Å; A154-G217 WeakPolarHBondContact CA-O 3.31Å; A154-K218 HydrophobicContact CB-CG 4.3Å
155V91.9Very high94.9Very high98 Ų9815.7 Ų15.759%0.59410%0.103SC*.THydrogen-bonded Turntrans-46.9130.5177.9620000112.5D157 A215 G217V155-D157 VanDerWaalsContact C-N 3.3Å; V155-D157 PolarHBondContact O-N 3.02Å; V155-A215 WeakPolarHBondContact CG2-O 3.45Å; V155-G217 PolarHBondContact N-O 3.43Å
156G86.6Confident94.8Very high68 Ų6816.2 Ų16.270%0.70111%0.107SC*.THydrogen-bonded Turntrans85.1-12.1-177.800000115.1A154 I214A154-G156 PolarHBondContact O-N 3.28Å; G156-I214 PolarHBondContact N-O 3.46Å
157D91.1Very high94.6Very high42 Ų4217.6 Ų17.623%0.22512%0.116CC..PPolyproline II helixtrans-72.7141.6173.9-64.1-35.2000111K128 A154 V155 I214K128-D157 WeakPolarHBondContact CE-OD2 3.32Å; K128-D157 IonicContact NZ-OD1 2.75Å; K128-D157 PolarHBondContact NZ-OD1 3.11Å; K128-D157 IonicContact NZ-OD2 3.01Å; K128-D157 PolarHBondContact NZ-OD2 2.95Å; A154-D157 PolarHBondContact N-OD2 3.07Å; A154-D157 VanDerWaalsContact O-CB 3.25Å; A154-D157 WeakPolarHBondContact O-CB 3.22Å; A154-D157 PolarHBondContact O-N 3.02Å; V155-D157 VanDerWaalsContact C-N 3.3Å; V155-D157 PolarHBondContact O-N 3.02Å; D157-I214 PolarHBondContact O-N 3.44Å
158K91.9Very high94.3Very high64 Ų6419.7 Ų19.728%0.27813%0.127SC..BIsolated β-bridgetrans-87.8132.6163.6-168.9174.8-59.1-179.40108.9E121 Y122 P124 T212 N213E121-K158 PolarHBondContact O-NZ 3.45Å; Y122-K158 WeakPolarHBondContact O-CD 3.29Å; P124-K158 HydrophobicContact CB-CB 4.27Å; K158-T212 CarbonylContact C-O 3.54Å; K158-T212 WeakPolarHBondContact CA-O 3.45Å; K158-N213 VanDerWaalsContact CG-OD1 3.29Å; K158-N213 WeakPolarHBondContact CG-OD1 3.39Å
159V96.1Very high94.1Very high0 Ų025 Ų250%015%0.15CC..PPolyproline II helixtrans-71.2123.7-174.8178.80000108.8A161 I163 L208 F209 S210 G211 T212 I214V159-A161 VanDerWaalsContact CG1-O 3.24Å; V159-A161 WeakPolarHBondContact CG1-O 3.21Å; V159-I163 HydrophobicContact CG1-CD1 3.75Å; V159-L208 HydrophobicContact CG1-CB 3.81Å; V159-L208 HydrophobicContact CG2-CB 4.23Å; V159-F209 VanDerWaalsContact CB-O 3.26Å; V159-F209 WeakPolarHBondContact CB-O 3.49Å; V159-F209 VanDerWaalsContact CG1-O 3.26Å; V159-F209 WeakPolarHBondContact CG1-O 2.96Å; V159-S210 WeakPolarHBondContact O-CA 2.96Å; V159-G211 PolarHBondContact O-N 3.42Å; V159-T212 WeakPolarHBondContact CB-O 3.19Å; V159-T212 VanDerWaalsContact CG2-O 3.3Å; V159-T212 WeakPolarHBondContact CG2-O 3.48Å; V159-T212 WeakPolarHBondContact CG2-OG1 3.38Å; V159-T212 PolarHBondContact N-O 2.92Å; V159-I214 HydrophobicContact CG2-CD1 3.81Å; V159-I214 HydrophobicContact CG2-CG1 4.38Å
160P95.1Very high93.5Very high5 Ų527 Ų273%0.03216%0.164CC..  trans-86.7-15.8-168.433-37.3000115.4N39 P124 A142 I145 I163 S210N39-P160 PolarHBondContact ND2-O 3.42Å; P124-P160 HydrophobicContact CG-CB 3.81Å; A142-P160 HydrophobicContact CB-CB 4.12Å; I145-P160 HydrophobicContact CD1-CB 3.74Å; I145-P160 HydrophobicContact CD1-CG 3.72Å; P160-I163 HydrophobicContact CG-CD1 4.4Å; P160-S210 PolarHBondContact O-OG 3.26Å
161A95.7Very high92.6Very high0 Ų029.9 Ų29.90%018%0.182CC..SBendtrans-159.9172.2-177.100000108.9I145 V159 I163 V223 T226I145-A161 HydrophobicContact CG2-CB 4.46Å; V159-A161 VanDerWaalsContact CG1-O 3.24Å; V159-A161 WeakPolarHBondContact CG1-O 3.21Å; A161-I163 WeakPolarHBondContact O-CD1 3.4Å; A161-I163 WeakPolarHBondContact O-CG1 3.5Å; A161-I163 PolarHBondContact O-N 3.36Å; A161-V223 HydrophobicContact CB-CG1 3.69Å; A161-V223 HydrophobicContact CB-CG2 4.39Å; A161-T226 HydrophobicContact CB-CG2 4.09Å
162D96.6Very high91.9Very high5 Ų530.8 Ų30.83%0.02719%0.187CC..EExtended strand (participates in β ladder)trans-76.8123.6172.6-73.92.3000109.8L208 F209 S210 V224 A225 T230 E231D162-L208 CarbonylContact C-O 3.59Å; D162-L208 WeakPolarHBondContact CA-O 3.31Å; D162-F209 VanDerWaalsContact OD1-CA 3.27Å; D162-F209 WeakPolarHBondContact OD1-CA 3.05Å; D162-S210 PolarHBondContact OD1-N 3.12Å; D162-V224 HydrophobicContact CB-CG2 4.33Å; D162-V224 WeakPolarHBondContact O-CG2 3.42Å; D162-V224 PolarHBondContact O-N 3.19Å; D162-A225 HydrophobicContact CB-CB 4.18Å; D162-A225 PolarHBondContact N-O 3.28Å; D162-A225 PolarHBondContact O-N 2.91Å; D162-T230 HydrophobicContact CB-CG2 4.24Å; D162-T230 VanDerWaalsContact OD2-CA 3.24Å; D162-T230 WeakPolarHBondContact OD2-CA 3.04Å; D162-E231 PolarHBondContact OD2-N 3.09Å
163I97.1Very high91.5Very high1 Ų130 Ų301%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-129.8131.9-165.9-65.1151.8000110.2V151 V159 P160 A161 M207 L208 V222 V223V151-I163 HydrophobicContact CB-CD1 4.39Å; V151-I163 HydrophobicContact CG2-CB 4.3Å; V151-I163 HydrophobicContact CG2-CD1 3.48Å; V151-I163 VanDerWaalsContact CG2-CD1 3.48Å; V151-I163 HydrophobicContact CG2-CG1 3.6Å; V151-I163 HydrophobicContact CG2-CG2 3.67Å; V159-I163 HydrophobicContact CG1-CD1 3.75Å; P160-I163 HydrophobicContact CG-CD1 4.4Å; A161-I163 WeakPolarHBondContact O-CD1 3.4Å; A161-I163 WeakPolarHBondContact O-CG1 3.5Å; A161-I163 PolarHBondContact O-N 3.36Å; I163-M207 CarbonylContact O-C 3.49Å; I163-M207 WeakPolarHBondContact O-CA 3.42Å; I163-L208 HydrophobicContact CB-CB 4.2Å; I163-L208 HydrophobicContact CG2-CD1 4.39Å; I163-L208 PolarHBondContact N-O 2.98Å; I163-L208 PolarHBondContact O-N 3.43Å; I163-V222 CarbonylContact C-O 3.55Å; I163-V222 WeakPolarHBondContact CA-O 3.34Å; I163-V223 HydrophobicContact CG1-CG2 4.03Å
164R97.2Very high91.1Very high0 Ų031.2 Ų31.20%019%0.188CC..EExtended strand (participates in β ladder)trans-86.5118.1168.8178.460.3172.590.9-2.3109.5A4 K7 V12 C166 T191 N206 M207 G221 V222 V224A4-R164 HydrophobicContact CB-CB 4.4Å; A4-R164 WeakPolarHBondContact O-CD 3.46Å; A4-R164 PolarHBondContact O-NE 3.48Å; K7-R164 PolarHBondContact O-NE 3.47Å; K7-R164 PolarHBondContact O-NH2 3.28Å; V12-R164 HydrophobicContact CG1-CB 4.46Å; V12-R164 HydrophobicContact CG1-CG 4.38Å; V12-R164 HydrophobicContact CG2-CG 4.04Å; R164-C166 PolarHBondContact O-N 3.48Å; R164-C166 PolarHBondContact O-SG 2.79Å; R164-C166 VanDerWaalsContact O-SG 3.33Å; R164-T191 VanDerWaalsContact CZ-O 3.3Å; R164-T191 PolarHBondContact NH1-O 3.46Å; R164-T191 PolarHBondContact NH2-O 3.14Å; R164-N206 WeakPolarHBondContact CD-O 3.37Å; R164-N206 PolarHBondContact NE-ND2 3.26Å; R164-N206 PolarHBondContact NH2-ND2 3.38Å; R164-M207 HydrophobicContact CB-SD 4.09Å; R164-G221 CarbonylContact O-C 3.19Å; R164-G221 WeakPolarHBondContact O-CA 3.34Å; R164-V222 PolarHBondContact N-O 3.08Å; R164-V222 PolarHBondContact O-N 3.11Å; R164-V224 HydrophobicContact CB-CG1 3.71Å
165I96.4Very high90.9Very high1 Ų130.2 Ų30.21%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-69126.2-177.2-57.3168.6000109I168 L173 K189 T191 N206 L208 A219I165-I168 HydrophobicContact CG2-CD1 4.46Å; I165-I168 HydrophobicContact CG2-CG1 3.83Å; I165-L173 HydrophobicContact CD1-CD2 3.92Å; I165-K189 HydrophobicContact CD1-CB 3.48Å; I165-K189 VanDerWaalsContact CD1-CB 3.48Å; I165-K189 HydrophobicContact CD1-CD 4.29Å; I165-K189 HydrophobicContact CD1-CG 3.95Å; I165-T191 HydrophobicContact CG2-CG2 4.04Å; I165-N206 WeakPolarHBondContact CG1-O 3.38Å; I165-N206 PolarHBondContact N-O 3.19Å; I165-L208 HydrophobicContact CD1-CD2 3.78Å; I165-L208 HydrophobicContact CD1-CG 3.89Å; I165-L208 HydrophobicContact CG1-CD1 4.14Å; I165-L208 HydrophobicContact CG1-CD2 4.15Å; I165-L208 HydrophobicContact CG1-CG 3.69Å; I165-A219 HydrophobicContact CG2-CB 4.34Å
166C92.9Very high90.7Very high11 Ų1127.9 Ų27.97%0.07416%0.163CC..EExtended strand (participates in β ladder)trans-106.5-39.7-178.5-61.90000111.8V9 Y13 R164 T191 V220 V222V9-C166 HydrophobicContact CG1-CB 3.66Å; Y13-C166 HydrophobicContact CE1-CB 4.21Å; Y13-C166 WeakPolarHBondContact OH-CB 3.27Å; R164-C166 PolarHBondContact O-N 3.48Å; R164-C166 PolarHBondContact O-SG 2.79Å; R164-C166 VanDerWaalsContact O-SG 3.33Å; C166-T191 WeakPolarHBondContact O-CG2 3.49Å; C166-V220 PolarHBondContact N-O 3.15Å; C166-V222 VanDerWaalsContact SG-CG2 3.54Å
167S92.6Very high90.7Very high29 Ų2924.7 Ų24.720%0.20313%0.13CC..EExtended strand (participates in β ladder)trans-146.2128.8179.3-1760000110.8E20 K169 A219 V220E20-S167 WeakPolarHBondContact OE1-CB 3.37Å; S167-K169 WeakPolarHBondContact OG-CE 3.38Å; S167-K169 PolarHBondContact OG-NZ 2.99Å; S167-A219 CarbonylContact O-C 3.59Å; S167-A219 WeakPolarHBondContact O-CA 3.28Å; S167-V220 PolarHBondContact N-O 3.26Å; S167-V220 PolarHBondContact O-N 3.46Å
168I90.9Very high90.2Very high44 Ų4424.2 Ų24.223%0.22613%0.13CC..EExtended strand (participates in β ladder)trans-95.2122.2171.7-57.6173.9000107.2I165 S170 L173 K189 T191 A219I165-I168 HydrophobicContact CG2-CD1 4.46Å; I165-I168 HydrophobicContact CG2-CG1 3.83Å; I168-S170 WeakPolarHBondContact CG2-O 3.39Å; I168-L173 HydrophobicContact CD1-CB 4.11Å; I168-L173 HydrophobicContact CG1-CB 4.33Å; I168-L173 HydrophobicContact CG2-CB 3.94Å; I168-K189 VanDerWaalsContact CD1-O 3.32Å; I168-K189 WeakPolarHBondContact CD1-O 3.39Å; I168-T191 HydrophobicContact CG1-CG2 4.27Å; I168-A219 HydrophobicContact CG1-CB 4.38Å
169K87.9Confident89.7Confident113 Ų11321.8 Ų21.849%0.49112%0.12SC..  trans-92.6-18.8-176.3-54.6-57.9-176.8-165.10112.5E20 S167 K218 V220E20-K169 IonicContact OE1-NZ 2.64Å; E20-K169 PolarHBondContact OE1-NZ 3.04Å; S167-K169 WeakPolarHBondContact OG-CE 3.38Å; S167-K169 PolarHBondContact OG-NZ 2.99Å; K169-K218 HydrophobicContact CB-CG 4.4Å; K169-K218 PolarHBondContact N-O 3.14Å; K169-V220 HydrophobicContact CG-CG2 4.38Å
170S85.1Confident89Confident41 Ų4121.9 Ų21.929%0.28712%0.12SC..SBendtrans-93.2172171.752.50000112.1I168 T172 G217 K218I168-S170 WeakPolarHBondContact CG2-O 3.39Å; S170-T172 VanDerWaalsContact C-N 3.32Å; S170-T172 PolarHBondContact O-N 2.77Å; S170-T172 PolarHBondContact OG-O 3.03Å; S170-G217 WeakPolarHBondContact OG-CA 3.19Å; S170-K218 PolarHBondContact N-O 2.87Å; S170-K218 PolarHBondContact OG-N 3.14Å; S170-K218 PolarHBondContact OG-O 2.75Å
171T77.8Confident88Confident61 Ų6122.2 Ų22.237%0.37412%0.122SC..SBendtrans-55.4-47173.4-51.40000112.5E486 T579T171-E486 WeakPolarHBondContact CB-OE2 3.28Å; T171-E486 HydrophobicContact CG2-CB 4.42Å; T171-E486 VanDerWaalsContact CG2-OE2 3.24Å; T171-E486 WeakPolarHBondContact CG2-OE2 3.48Å; T171-E486 PolarHBondContact OG1-OE2 2.89Å; T171-T579 HydrophobicContact CG2-CG2 3.4Å; T171-T579 VanDerWaalsContact CG2-CG2 3.4Å
172T81.4Confident86.8Confident20 Ų2022.5 Ų22.512%0.12313%0.126CC..  trans-138153.1175.457.40000109.6S170 I188 G217 F487S170-T172 VanDerWaalsContact C-N 3.32Å; S170-T172 PolarHBondContact O-N 2.77Å; S170-T172 PolarHBondContact OG-O 3.03Å; T172-I188 HydrophobicContact CG2-CG2 4.47Å; T172-G217 WeakPolarHBondContact O-CA 3.33Å; T172-F487 WeakPolarHBondContact CG2-O 3.23Å
173L87.8Confident85.6Confident0 Ų024.9 Ų24.90%014%0.137CC..EExtended strand (participates in β ladder)trans-110.5125166.1-174.872.5000107.7I165 I168 V175 I188 K189 L208 I214 A219I165-L173 HydrophobicContact CD1-CD2 3.92Å; I168-L173 HydrophobicContact CD1-CB 4.11Å; I168-L173 HydrophobicContact CG1-CB 4.33Å; I168-L173 HydrophobicContact CG2-CB 3.94Å; L173-V175 HydrophobicContact CD2-CG2 4.31Å; L173-V175 HydrophobicContact CG-CG2 4.21Å; L173-I188 WeakPolarHBondContact O-CA 3.24Å; L173-K189 HydrophobicContact CB-CB 4.36Å; L173-K189 HydrophobicContact CD2-CB 4.02Å; L173-K189 HydrophobicContact CD2-CG 4.37Å; L173-K189 HydrophobicContact CG-CB 4.47Å; L173-K189 PolarHBondContact O-N 3.16Å; L173-L208 HydrophobicContact CD2-CD2 3.95Å; L173-I214 HydrophobicContact CD1-CG2 3.86Å; L173-A219 HydrophobicContact CD1-CB 3.94Å; L173-A219 HydrophobicContact CD2-CB 3.56Å; L173-A219 HydrophobicContact CG-CB 4.29Å
174R87.1Confident84.2Confident32 Ų3226.6 Ų26.612%0.12115%0.149CC..EExtended strand (participates in β ladder)trans-118.7132176.1-58.2-169.2-175.3-161.95.9109.4S186 V187 I188 A215 A216 E439R174-S186 WeakPolarHBondContact CD-OG 3.37Å; R174-V187 WeakPolarHBondContact CA-O 3.48Å; R174-I188 HydrophobicContact CG-CG1 4.34Å; R174-A215 HydrophobicContact CB-CB 4.3Å; R174-A215 PolarHBondContact O-N 2.86Å; R174-A216 HydrophobicContact CB-CB 4.08Å; R174-A216 HydrophobicContact CG-CB 4.3Å; R174-A216 PolarHBondContact N-O 3.33Å; R174-A216 PolarHBondContact O-N 2.8Å; R174-A216 VanDerWaalsContact O-N 3.11Å; R174-E439 IonicContact CZ-OE1 2.57Å; R174-E439 IonicContact NH1-OE1 2.75Å; R174-E439 PolarHBondContact NH1-OE1 3.27Å; R174-E439 IonicContact NH1-OE2 3.84Å; R174-E439 PolarHBondContact NH1-OE2 3Å
175V89.4Confident83.1Confident0 Ų028.5 Ų28.50%016%0.161CC..EExtended strand (participates in β ladder)trans-126.1130.6-174.8-172.50000108.5L173 Q177 S186 V187 K189 L208 N213 I214L173-V175 HydrophobicContact CD2-CG2 4.31Å; L173-V175 HydrophobicContact CG-CG2 4.21Å; V175-Q177 HydrophobicContact CB-CG 4.19Å; V175-Q177 HydrophobicContact CG1-CG 3.88Å; V175-Q177 PolarHBondContact O-N 2.87Å; V175-S186 WeakPolarHBondContact O-CA 3.32Å; V175-V187 PolarHBondContact N-O 2.94Å; V175-V187 PolarHBondContact O-N 3.25Å; V175-K189 HydrophobicContact CB-CG 4.37Å; V175-K189 HydrophobicContact CG2-CG 3.59Å; V175-L208 HydrophobicContact CG1-CD2 4.44Å; V175-L208 HydrophobicContact CG2-CD2 3.5Å; V175-L208 VanDerWaalsContact CG2-CD2 3.5Å; V175-N213 WeakPolarHBondContact CA-O 3.17Å; V175-N213 WeakPolarHBondContact CG1-O 3.48Å; V175-I214 HydrophobicContact CG1-CD1 4.34Å; V175-I214 HydrophobicContact CG2-CD1 3.9Å
176D87.6Confident82.3Confident48 Ų4829.5 Ų29.526%0.25717%0.168SC..EExtended strand (participates in β ladder)trans-81111.5167.8-176.6-5000108.5S178 T212 N213D176-S178 WeakPolarHBondContact OD1-CB 3.34Å; D176-S178 PolarHBondContact OD1-N 3.34Å; D176-S178 PolarHBondContact OD1-OG 3.33Å; D176-T212 WeakPolarHBondContact O-CB 3.39Å; D176-N213 HydrophobicContact CB-CB 4.47Å; D176-N213 PolarHBondContact N-O 3.07Å; D176-N213 PolarHBondContact O-N 2.79Å
177Q87.6Confident81.9Confident1 Ų130.4 Ų30.41%0.00517%0.173CC..  trans-108.214.3-178.8-49.8-152.7-60.700112.4V175 I179 L180 T181 V187 F209 T212V175-Q177 HydrophobicContact CB-CG 4.19Å; V175-Q177 HydrophobicContact CG1-CG 3.88Å; V175-Q177 PolarHBondContact O-N 2.87Å; Q177-I179 PolarHBondContact O-N 2.75Å; Q177-L180 PolarHBondContact O-N 3.13Å; Q177-T181 HydrophobicContact CB-CG2 4.02Å; Q177-T181 PolarHBondContact O-N 3.19Å; Q177-T181 PolarHBondContact O-OG1 2.91Å; Q177-T181 VanDerWaalsContact O-OG1 3.12Å; Q177-V187 HydrophobicContact CG-CB 4.48Å; Q177-V187 HydrophobicContact CG-CG2 4.37Å; Q177-F209 VanDerWaalsContact NE2-CD2 3.34Å; Q177-T212 HydrophobicContact CB-CG2 4.39Å; Q177-T212 HydrophobicContact CG-CG2 4.45Å
178S79.8Confident81.4Confident32 Ų3230.6 Ų30.622%0.22417%0.171CC..Hα-helixtrans-51-35.1-175.450.20000113.7D176 L180 G182 E183D176-S178 WeakPolarHBondContact OD1-CB 3.34Å; D176-S178 PolarHBondContact OD1-N 3.34Å; D176-S178 PolarHBondContact OD1-OG 3.33Å; S178-L180 VanDerWaalsContact C-N 3.26Å; S178-L180 PolarHBondContact O-N 3.26Å; S178-G182 VanDerWaalsContact O-CA 3.25Å; S178-G182 WeakPolarHBondContact O-CA 3.25Å; S178-G182 PolarHBondContact O-N 3.37Å; S178-E183 WeakPolarHBondContact CA-O 3.43Å
179I82.3Confident81.3Confident13 Ų1328.6 Ų28.67%0.06716%0.161CC..Hα-helixtrans-61.4-30.8177.558.5149.2000113.9Y122 Q177 G211 T212 V703 N704Y122-I179 HydrophobicContact CD1-CG2 4.27Å; Y122-I179 HydrophobicContact CE1-CG2 3.96Å; Q177-I179 PolarHBondContact O-N 2.75Å; I179-G211 WeakPolarHBondContact CD1-O 3.4Å; I179-T212 HydrophobicContact CD1-CG2 4.01Å; I179-T212 HydrophobicContact CG1-CG2 3.92Å; I179-V703 HydrophobicContact CB-CB 4.41Å; I179-V703 HydrophobicContact CB-CG2 4.13Å; I179-V703 HydrophobicContact CG2-CG2 4.4Å; I179-V703 VanDerWaalsContact O-CB 3.29Å; I179-V703 WeakPolarHBondContact O-CB 3.35Å; I179-V703 PolarHBondContact O-N 3.12Å; I179-N704 PolarHBondContact O-N 2.91Å; I179-N704 PolarHBondContact O-OD1 2.85Å; I179-N704 VanDerWaalsContact O-OD1 3.13Å
180L80.7Confident81.1Confident2 Ų224.5 Ų24.51%0.0114%0.143CC..Hα-helixtrans-105.6-21.1-176.9-68.9175.8000112.9Q177 S178 F209 T212 E231 I235 N704Q177-L180 PolarHBondContact O-N 3.13Å; S178-L180 VanDerWaalsContact C-N 3.26Å; S178-L180 PolarHBondContact O-N 3.26Å; L180-F209 HydrophobicContact CD1-CB 3.3Å; L180-F209 HydrophobicContact CD1-CD2 3.81Å; L180-F209 HydrophobicContact CD1-CG 3.66Å; L180-T212 HydrophobicContact CD1-CG2 4.02Å; L180-E231 HydrophobicContact CD1-CB 4.3Å; L180-E231 HydrophobicContact CD2-CB 4.5Å; L180-I235 HydrophobicContact CD2-CD1 3.62Å; L180-N704 WeakPolarHBondContact O-CB 3.42Å
181T74.6Confident81.4Confident12 Ų1224.9 Ų24.97%0.07414%0.144CC..Hα-helixtrans-117.5-12.1-17468.30000113.8Q177 E183 Q202Q177-T181 HydrophobicContact CB-CG2 4.02Å; Q177-T181 PolarHBondContact O-N 3.19Å; Q177-T181 PolarHBondContact O-OG1 2.91Å; Q177-T181 VanDerWaalsContact O-OG1 3.12Å; T181-E183 PolarHBondContact O-N 2.77Å; T181-E183 VanDerWaalsContact O-N 3.14Å; T181-E183 PolarHBondContact OG1-N 3.03Å; T181-Q202 HydrophobicContact CG2-CG 3.77Å
182G69.4Low81.8Confident7 Ų727.2 Ų27.27%0.07215%0.154CC..SBendtrans71.4-11.1-169.700000114.5S178S178-G182 VanDerWaalsContact O-CA 3.25Å; S178-G182 WeakPolarHBondContact O-CA 3.25Å; S178-G182 PolarHBondContact O-N 3.37Å
183E71.4Confident82Confident54 Ų5428.8 Ų28.825%0.25217%0.165SC..  trans-89.9115.3-174.8-66.5-174.7-173.300111.5S178 T181 V185S178-E183 WeakPolarHBondContact CA-O 3.43Å; T181-E183 PolarHBondContact O-N 2.77Å; T181-E183 VanDerWaalsContact O-N 3.14Å; T181-E183 PolarHBondContact OG1-N 3.03Å; E183-V185 PolarHBondContact O-N 2.9Å
184S68.1Low81.9Confident37 Ų3730 Ų3026%0.25917%0.172SC..  trans-77.68.9177.8-35.30000114.4N359S184-N359 PolarHBondContact OG-ND2 2.72Å
185V73.6Confident81.7Confident41 Ų4134.2 Ų34.225%0.24820%0.203CC..SBendtrans-92.5129.3176.3179.30000108.3E183 V187 A440E183-V185 PolarHBondContact O-N 2.9Å; V185-V187 PolarHBondContact O-N 2.99Å; V185-A440 HydrophobicContact CG2-CB 4.49Å
186S81.1Confident81.2Confident22 Ų2237 Ų3715%0.15422%0.218CC..PPolyproline II helixtrans-64.2134-178.882.90000111.4R174 V175 E439R174-S186 WeakPolarHBondContact CD-OG 3.37Å; V175-S186 WeakPolarHBondContact O-CA 3.32Å; S186-E439 PolarHBondContact OG-OE1 3.18Å
187V82.9Confident81Confident30 Ų3038.3 Ų38.318%0.18223%0.23CC..EExtended strand (participates in β ladder)trans-95.6129.5-180-176.90000109R174 V175 Q177 V185R174-V187 WeakPolarHBondContact CA-O 3.48Å; V175-V187 PolarHBondContact N-O 2.94Å; V175-V187 PolarHBondContact O-N 3.25Å; Q177-V187 HydrophobicContact CG-CB 4.48Å; Q177-V187 HydrophobicContact CG-CG2 4.37Å; V185-V187 PolarHBondContact O-N 2.99Å
188I83.7Confident80.6Confident32 Ų3248.9 Ų48.916%0.16427%0.269CS..EExtended strand (participates in β ladder)trans-80.2133.3176.4-48.2177.1000109.3T172 L173 R174 H190 F487 R489T172-I188 HydrophobicContact CG2-CG2 4.47Å; L173-I188 WeakPolarHBondContact O-CA 3.24Å; R174-I188 HydrophobicContact CG-CG1 4.34Å; I188-H190 PolarHBondContact O-CE1 2.8Å; I188-H190 PolarHBondContact O-NE2 3.16Å; I188-F487 HydrophobicContact CD1-CD1 3.65Å; I188-F487 HydrophobicContact CD1-CE1 3.38Å; I188-F487 HydrophobicContact CD1-CZ 4.49Å; I188-R489 HydrophobicContact CD1-CG 4.05Å; I188-R489 HydrophobicContact CG2-CG 4.21Å
189K87.1Confident80.5Confident2 Ų247.6 Ų47.61%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-107.6157.3-176.6-62.5-67.2179.3171.80114I165 I168 L173 V175 K204 K205 M207 L208I165-K189 HydrophobicContact CD1-CB 3.48Å; I165-K189 VanDerWaalsContact CD1-CB 3.48Å; I165-K189 HydrophobicContact CD1-CD 4.29Å; I165-K189 HydrophobicContact CD1-CG 3.95Å; I168-K189 VanDerWaalsContact CD1-O 3.32Å; I168-K189 WeakPolarHBondContact CD1-O 3.39Å; L173-K189 HydrophobicContact CB-CB 4.36Å; L173-K189 HydrophobicContact CD2-CB 4.02Å; L173-K189 HydrophobicContact CD2-CG 4.37Å; L173-K189 HydrophobicContact CG-CB 4.47Å; L173-K189 PolarHBondContact O-N 3.16Å; V175-K189 HydrophobicContact CB-CG 4.37Å; V175-K189 HydrophobicContact CG2-CG 3.59Å; K189-K204 PolarHBondContact NZ-O 3.27Å; K189-K205 CarbonylContact C-O 3.5Å; K189-K205 WeakPolarHBondContact CA-O 3.16Å; K189-K205 WeakPolarHBondContact CB-O 3.09Å; K189-K205 WeakPolarHBondContact CD-O 3.34Å; K189-M207 WeakPolarHBondContact CD-O 3.22Å; K189-M207 VanDerWaalsContact CE-O 3.24Å; K189-M207 WeakPolarHBondContact CE-O 3.05Å; K189-M207 PolarHBondContact NZ-O 3.01Å; K189-L208 HydrophobicContact CG-CD2 4.25Å
190H85.7Confident80.3Confident28 Ų2848.4 Ų48.413%0.1327%0.266CS..  trans-134.7173.3-176.5-46.4-37.7000111.7I188 K205 N206 R489I188-H190 PolarHBondContact O-CE1 2.8Å; I188-H190 PolarHBondContact O-NE2 3.16Å; H190-K205 PolarHBondContact N-O 3.19Å; H190-N206 WeakPolarHBondContact O-CA 3.16Å; H190-N206 VanDerWaalsContact O-CB 3.32Å; H190-N206 WeakPolarHBondContact O-CB 3.32Å; H190-R489 VanDerWaalsContact CD2-CZ 3.47Å; H190-R489 PolarHBondContact CD2-NH1 2.85Å; H190-R489 WeakPolarHBondContact CE1-CD 3.39Å; H190-R489 PolarHBondContact CE1-NE 3.39Å; H190-R489 PolarHBondContact CE1-NH1 3.22Å; H190-R489 PolarHBondContact ND1-NH1 2.97Å; H190-R489 PolarHBondContact NE2-NE 3.13Å; H190-R489 VanDerWaalsContact NE2-NE 3.17Å; H190-R489 PolarHBondContact NE2-NH1 2.93Å; H190-R489 PolarHBondContact NE2-NH2 2.96Å
191T90.6Very high80.5Confident48 Ų4848.7 Ų48.729%0.29427%0.268SS..SBendtrans-103-18.6175.5480000113R164 I165 C166 I168R164-T191 VanDerWaalsContact CZ-O 3.3Å; R164-T191 PolarHBondContact NH1-O 3.46Å; R164-T191 PolarHBondContact NH2-O 3.14Å; I165-T191 HydrophobicContact CG2-CG2 4.04Å; C166-T191 WeakPolarHBondContact O-CG2 3.49Å; I168-T191 HydrophobicContact CG1-CG2 4.27Å
192D85.4Confident80.7Confident110 Ų11049.4 Ų49.459%0.58827%0.27SS*.SBendtrans-63.1146.9-177-57.7-43.7000112.2N206D192-N206 WeakPolarHBondContact O-CB 3.44Å; D192-N206 PolarHBondContact O-ND2 2.82Å
193P86.8Confident81.2Confident54 Ų5452.1 Ų52.135%0.35128%0.283SS..  trans-65143.8173.829.1-35.2000111T6 T8 P195T6-P193 WeakPolarHBondContact O-CB 3.28Å; T8-P193 HydrophobicContact CG2-CG 4.31Å; P193-P195 WeakPolarHBondContact O-CD 3.39Å
194V85.9Confident81.9Confident26 Ų2650.7 Ų50.716%0.15828%0.276CS..  trans-95.4110.2172176.70000107.1H5 T6 D196 A199H5-V194 PolarHBondContact O-N 2.94Å; T6-V194 VanDerWaalsContact CA-O 3.25Å; T6-V194 WeakPolarHBondContact CA-O 3.21Å; T6-V194 WeakPolarHBondContact CG2-O 3.49Å; V194-D196 PolarHBondContact O-N 3.11Å; V194-D196 VanDerWaalsContact O-N 3.15Å; V194-A199 HydrophobicContact CG1-CB 3.76Å
195P81.9Confident82.8Confident119 Ų11952.6 Ų52.677%0.77328%0.28SS*.  trans-63.4-27-167.9-23.433000114.5P193 P197P193-P195 WeakPolarHBondContact O-CD 3.39Å; P195-P197 VanDerWaalsContact O-CD 3.26Å; P195-P197 WeakPolarHBondContact O-CD 3.5Å
196D79.7Confident83.7Confident59 Ų5950.7 Ų50.732%0.31627%0.268SS..  trans-76.1113.7-175.7-170.4-11.8000110.9H5 V194 R198 A199 R654H5-D196 PolarHBondContact CD2-O 3.4Å; H5-D196 PolarHBondContact NE2-O 2.96Å; V194-D196 PolarHBondContact O-N 3.11Å; V194-D196 VanDerWaalsContact O-N 3.15Å; D196-R198 PolarHBondContact O-N 3.46Å; D196-R198 PolarHBondContact OD1-N 3.25Å; D196-A199 HydrophobicContact CB-CB 4.16Å; D196-A199 VanDerWaalsContact O-CB 3.3Å; D196-A199 WeakPolarHBondContact O-CB 3.49Å; D196-A199 PolarHBondContact O-N 3.33Å; D196-R654 IonicContact OD2-NH1 3.86Å
197P82.8Confident84.4Confident76 Ų7650.1 Ų50.149%0.49426%0.263SS..THydrogen-bonded Turntrans-66.4-21.317728.6-34.5000113.1T6 P195T6-P197 HydrophobicContact CG2-CB 4.17Å; P195-P197 VanDerWaalsContact O-CD 3.26Å; P195-P197 WeakPolarHBondContact O-CD 3.5Å
198R79.7Confident85Confident222 Ų22248.9 Ų48.984%0.83826%0.255SS*.THydrogen-bonded Turntrans-102.719.1177.7-55.1-176.3-168.9176.82.6112.2D196 V200D196-R198 PolarHBondContact O-N 3.46Å; D196-R198 PolarHBondContact OD1-N 3.25Å; R198-V200 PolarHBondContact O-N 3.47Å
199A77Confident85.6Confident6 Ų647.4 Ų47.45%0.0525%0.248CC..  trans-55.2130.6176.300000110.7V194 D196 D203 K204V194-A199 HydrophobicContact CG1-CB 3.76Å; D196-A199 HydrophobicContact CB-CB 4.16Å; D196-A199 VanDerWaalsContact O-CB 3.3Å; D196-A199 WeakPolarHBondContact O-CB 3.49Å; D196-A199 PolarHBondContact O-N 3.33Å; A199-D203 HydrophobicContact CB-CB 4.18Å; A199-K204 HydrophobicContact CB-CG 4.33Å; A199-K204 WeakPolarHBondContact O-CE 3.32Å
200V79.1Confident85.9Confident30 Ų3047.6 Ų47.618%0.18225%0.25CC..  trans-68.2162.1175.4-59.10000111.4R198 Q202 D203 K204 E678R198-V200 PolarHBondContact O-N 3.47Å; V200-Q202 HydrophobicContact CG2-CB 4.24Å; V200-Q202 PolarHBondContact O-N 3.41Å; V200-Q202 VanDerWaalsContact O-N 3.14Å; V200-D203 HydrophobicContact CG2-CB 4.04Å; V200-D203 WeakPolarHBondContact CG2-OD2 3.43Å; V200-D203 WeakPolarHBondContact O-CA 3.11Å; V200-D203 PolarHBondContact O-N 2.89Å; V200-K204 PolarHBondContact O-N 3.44Å; V200-K204 VanDerWaalsContact O-N 3.14Å; V200-E678 WeakPolarHBondContact CA-OE1 3.45Å; V200-E678 HydrophobicContact CB-CG 4.05Å; V200-E678 WeakPolarHBondContact CB-OE1 3.21Å; V200-E678 HydrophobicContact CG1-CG 3.71Å; V200-E678 WeakPolarHBondContact CG1-OE1 3.27Å
201N84.1Confident86.2Confident7 Ų746.4 Ų46.44%0.03724%0.244CC..THydrogen-bonded Turntrans-56.4-33.8-177.7-75.5-22.3000113.5D203 K204 F209 E231 E678N201-D203 VanDerWaalsContact C-N 3.3Å; N201-D203 PolarHBondContact O-N 2.98Å; N201-K204 PolarHBondContact O-N 3.19Å; N201-K204 PolarHBondContact OD1-NZ 3.18Å; N201-F209 HydrophobicContact CB-CE2 4.24Å; N201-F209 HydrophobicContact CB-CZ 4.1Å; N201-E231 PolarHBondContact ND2-OE2 3.41Å; N201-E231 PolarHBondContact OD1-OE2 3.09Å; N201-E678 PolarHBondContact N-OE1 3.12Å
202Q78.2Confident86.2Confident28 Ų2844.1 Ų44.113%0.13123%0.231CC..THydrogen-bonded Turntrans-64.8-31.2174.2-63.283.6-6.500112.9T181 V200T181-Q202 HydrophobicContact CG2-CG 3.77Å; V200-Q202 HydrophobicContact CG2-CB 4.24Å; V200-Q202 PolarHBondContact O-N 3.41Å; V200-Q202 VanDerWaalsContact O-N 3.14Å
203D79.9Confident86.5Confident63 Ų6342 Ų4234%0.33722%0.219SC..THydrogen-bonded Turntrans-88.5-18.9-177.2-72.9-23.1000113A199 V200 N201 K205 R676A199-D203 HydrophobicContact CB-CB 4.18Å; V200-D203 HydrophobicContact CG2-CB 4.04Å; V200-D203 WeakPolarHBondContact CG2-OD2 3.43Å; V200-D203 WeakPolarHBondContact O-CA 3.11Å; V200-D203 PolarHBondContact O-N 2.89Å; N201-D203 VanDerWaalsContact C-N 3.3Å; N201-D203 PolarHBondContact O-N 2.98Å; D203-K205 PolarHBondContact O-N 3.2Å; D203-R676 IonicContact OD1-NH1 2.72Å
204K87.3Confident86.8Confident25 Ų2539.6 Ų39.611%0.10920%0.203CC..  trans-69.664.5172.5-65.7176.3-167.8163.80111.6H5 K189 A199 V200 N201 N206 M207 F209 E231H5-K204 HydrophobicContact CB-CB 4.44Å; H5-K204 HydrophobicContact CB-CD 4.48Å; H5-K204 HydrophobicContact CB-CG 4.04Å; K189-K204 PolarHBondContact NZ-O 3.27Å; A199-K204 HydrophobicContact CB-CG 4.33Å; A199-K204 WeakPolarHBondContact O-CE 3.32Å; V200-K204 PolarHBondContact O-N 3.44Å; V200-K204 VanDerWaalsContact O-N 3.14Å; N201-K204 PolarHBondContact O-N 3.19Å; N201-K204 PolarHBondContact OD1-NZ 3.18Å; K204-N206 PolarHBondContact O-N 3.19Å; K204-N206 VanDerWaalsContact O-N 3.12Å; K204-M207 HydrophobicContact CB-CB 4.09Å; K204-M207 HydrophobicContact CB-CG 3.96Å; K204-M207 HydrophobicContact CD-CG 4.5Å; K204-M207 PolarHBondContact O-N 2.81Å; K204-F209 HydrophobicContact CB-CZ 3.88Å; K204-F209 HydrophobicContact CD-CE1 4.14Å; K204-F209 HydrophobicContact CD-CZ 3.89Å; K204-E231 IonicContact NZ-OE1 2.91Å
205K86.7Confident86.9Confident77 Ų7740.7 Ų40.734%0.33522%0.215SC..THydrogen-bonded Turntrans-69-8-177.3-66.6177.2-173.3170.50113.9K189 H190 D203K189-K205 CarbonylContact C-O 3.5Å; K189-K205 WeakPolarHBondContact CA-O 3.16Å; K189-K205 WeakPolarHBondContact CB-O 3.09Å; K189-K205 WeakPolarHBondContact CD-O 3.34Å; H190-K205 PolarHBondContact N-O 3.19Å; D203-K205 PolarHBondContact O-N 3.2Å
206N92.8Very high87.1Confident1 Ų136.7 Ų36.71%0.00519%0.192CC..THydrogen-bonded Turntrans-106.29.3177.765.8-6.7000114.2H5 R164 I165 H190 D192 K204H5-N206 WeakPolarHBondContact CA-OD1 3.38Å; H5-N206 WeakPolarHBondContact CB-OD1 3.24Å; H5-N206 PolarHBondContact O-ND2 3.05Å; R164-N206 WeakPolarHBondContact CD-O 3.37Å; R164-N206 PolarHBondContact NE-ND2 3.26Å; R164-N206 PolarHBondContact NH2-ND2 3.38Å; I165-N206 WeakPolarHBondContact CG1-O 3.38Å; I165-N206 PolarHBondContact N-O 3.19Å; H190-N206 WeakPolarHBondContact O-CA 3.16Å; H190-N206 VanDerWaalsContact O-CB 3.32Å; H190-N206 WeakPolarHBondContact O-CB 3.32Å; D192-N206 WeakPolarHBondContact O-CB 3.44Å; D192-N206 PolarHBondContact O-ND2 2.82Å; K204-N206 PolarHBondContact O-N 3.19Å; K204-N206 VanDerWaalsContact O-N 3.12Å
207M94.9Very high87.6Confident10 Ų1034.9 Ų34.95%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-114.2144.8178.8-63.5-69.4-63.400111A4 H5 I163 R164 K189 K204 F209 V224A4-M207 HydrophobicContact CB-SD 4.35Å; H5-M207 HydrophobicContact CB-CG 3.81Å; H5-M207 HydrophobicContact CB-SD 4.26Å; I163-M207 CarbonylContact O-C 3.49Å; I163-M207 WeakPolarHBondContact O-CA 3.42Å; R164-M207 HydrophobicContact CB-SD 4.09Å; K189-M207 WeakPolarHBondContact CD-O 3.22Å; K189-M207 VanDerWaalsContact CE-O 3.24Å; K189-M207 WeakPolarHBondContact CE-O 3.05Å; K189-M207 PolarHBondContact NZ-O 3.01Å; K204-M207 HydrophobicContact CB-CB 4.09Å; K204-M207 HydrophobicContact CB-CG 3.96Å; K204-M207 HydrophobicContact CD-CG 4.5Å; K204-M207 PolarHBondContact O-N 2.81Å; M207-F209 HydrophobicContact CB-CE1 3.91Å; M207-F209 HydrophobicContact CB-CE2 4.5Å; M207-F209 HydrophobicContact CB-CZ 3.87Å; M207-V224 HydrophobicContact CE-CG2 3.68Å
208L96.3Very high88Confident3 Ų335 Ų352%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-108.9140.5161.1-51.9174000107.6V153 V159 D162 I163 I165 L173 V175 K189 I214V153-L208 HydrophobicContact CG2-CD1 3.57Å; V159-L208 HydrophobicContact CG1-CB 3.81Å; V159-L208 HydrophobicContact CG2-CB 4.23Å; D162-L208 CarbonylContact C-O 3.59Å; D162-L208 WeakPolarHBondContact CA-O 3.31Å; I163-L208 HydrophobicContact CB-CB 4.2Å; I163-L208 HydrophobicContact CG2-CD1 4.39Å; I163-L208 PolarHBondContact N-O 2.98Å; I163-L208 PolarHBondContact O-N 3.43Å; I165-L208 HydrophobicContact CD1-CD2 3.78Å; I165-L208 HydrophobicContact CD1-CG 3.89Å; I165-L208 HydrophobicContact CG1-CD1 4.14Å; I165-L208 HydrophobicContact CG1-CD2 4.15Å; I165-L208 HydrophobicContact CG1-CG 3.69Å; L173-L208 HydrophobicContact CD2-CD2 3.95Å; V175-L208 HydrophobicContact CG1-CD2 4.44Å; V175-L208 HydrophobicContact CG2-CD2 3.5Å; V175-L208 VanDerWaalsContact CG2-CD2 3.5Å; K189-L208 HydrophobicContact CG-CD2 4.25Å; L208-I214 HydrophobicContact CD1-CD1 4.44Å; L208-I214 HydrophobicContact CD2-CD1 4.24Å
209F95.2Very high88.8Confident2 Ų224.4 Ų24.41%0.00914%0.14CC..  trans-112.7143.8-176.2-56.1-69.4000110.8V159 D162 Q177 L180 N201 K204 M207 G211 T212 E231V159-F209 VanDerWaalsContact CB-O 3.26Å; V159-F209 WeakPolarHBondContact CB-O 3.49Å; V159-F209 VanDerWaalsContact CG1-O 3.26Å; V159-F209 WeakPolarHBondContact CG1-O 2.96Å; D162-F209 VanDerWaalsContact OD1-CA 3.27Å; D162-F209 WeakPolarHBondContact OD1-CA 3.05Å; Q177-F209 VanDerWaalsContact NE2-CD2 3.34Å; L180-F209 HydrophobicContact CD1-CB 3.3Å; L180-F209 HydrophobicContact CD1-CD2 3.81Å; L180-F209 HydrophobicContact CD1-CG 3.66Å; N201-F209 HydrophobicContact CB-CE2 4.24Å; N201-F209 HydrophobicContact CB-CZ 4.1Å; K204-F209 HydrophobicContact CB-CZ 3.88Å; K204-F209 HydrophobicContact CD-CE1 4.14Å; K204-F209 HydrophobicContact CD-CZ 3.89Å; M207-F209 HydrophobicContact CB-CE1 3.91Å; M207-F209 HydrophobicContact CB-CE2 4.5Å; M207-F209 HydrophobicContact CB-CZ 3.87Å; F209-G211 PolarHBondContact O-N 2.87Å; F209-T212 HydrophobicContact CB-CG2 4.02Å; F209-T212 WeakPolarHBondContact O-CB 3.24Å; F209-T212 PolarHBondContact O-N 3.19Å; F209-T212 VanDerWaalsContact O-N 3.17Å; F209-T212 PolarHBondContact O-OG1 3.18Å; F209-E231 HydrophobicContact CD1-CB 4.29Å; F209-E231 HydrophobicContact CD1-CG 3.62Å; F209-E231 HydrophobicContact CE1-CG 3.79Å
210S94.6Very high89.7Confident6 Ų624.5 Ų24.54%0.04214%0.14CC..THydrogen-bonded Turntrans-53.4138.2177.6-1650000111.4V159 P160 D162 T212V159-S210 WeakPolarHBondContact O-CA 2.96Å; P160-S210 PolarHBondContact O-OG 3.26Å; D162-S210 PolarHBondContact OD1-N 3.12Å; S210-T212 VanDerWaalsContact C-N 3.26Å; S210-T212 PolarHBondContact O-N 2.82Å
211G90.4Very high90.5Very high2 Ų223.2 Ų23.22%0.02113%0.133CC..THydrogen-bonded Turntrans82.3-15.4-178.700000115.5V159 I179 F209V159-G211 PolarHBondContact O-N 3.42Å; I179-G211 WeakPolarHBondContact CD1-O 3.4Å; F209-G211 PolarHBondContact O-N 2.87Å
212T92.3Very high91.1Very high1 Ų122.9 Ų22.91%0.00613%0.131CC..  trans-73.3161.117563.50000111.8K158 V159 D176 Q177 I179 L180 F209 S210K158-T212 CarbonylContact C-O 3.54Å; K158-T212 WeakPolarHBondContact CA-O 3.45Å; V159-T212 WeakPolarHBondContact CB-O 3.19Å; V159-T212 VanDerWaalsContact CG2-O 3.3Å; V159-T212 WeakPolarHBondContact CG2-O 3.48Å; V159-T212 WeakPolarHBondContact CG2-OG1 3.38Å; V159-T212 PolarHBondContact N-O 2.92Å; D176-T212 WeakPolarHBondContact O-CB 3.39Å; Q177-T212 HydrophobicContact CB-CG2 4.39Å; Q177-T212 HydrophobicContact CG-CG2 4.45Å; I179-T212 HydrophobicContact CD1-CG2 4.01Å; I179-T212 HydrophobicContact CG1-CG2 3.92Å; L180-T212 HydrophobicContact CD1-CG2 4.02Å; F209-T212 HydrophobicContact CB-CG2 4.02Å; F209-T212 WeakPolarHBondContact O-CB 3.24Å; F209-T212 PolarHBondContact O-N 3.19Å; F209-T212 VanDerWaalsContact O-N 3.17Å; F209-T212 PolarHBondContact O-OG1 3.18Å; S210-T212 VanDerWaalsContact C-N 3.26Å; S210-T212 PolarHBondContact O-N 2.82Å
213N91.8Very high92Very high64 Ų6421.5 Ų21.534%0.34213%0.125SC..EExtended strand (participates in β ladder)trans-116.9143-175-59.4-23.4000111.4K158 V175 D176 A215K158-N213 VanDerWaalsContact CG-OD1 3.29Å; K158-N213 WeakPolarHBondContact CG-OD1 3.39Å; V175-N213 WeakPolarHBondContact CA-O 3.17Å; V175-N213 WeakPolarHBondContact CG1-O 3.48Å; D176-N213 HydrophobicContact CB-CB 4.47Å; D176-N213 PolarHBondContact N-O 3.07Å; D176-N213 PolarHBondContact O-N 2.79Å; N213-A215 PolarHBondContact O-N 3.09Å
214I92.8Very high92.8Very high4 Ų418.8 Ų18.82%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-81.8110.6173.7-51.8-55.2000109.7V153 A154 G156 D157 V159 L173 V175 L208V153-I214 HydrophobicContact CB-CD1 4.26Å; V153-I214 HydrophobicContact CB-CG1 3.91Å; V153-I214 HydrophobicContact CG2-CD1 3.89Å; V153-I214 HydrophobicContact CG2-CG1 4.02Å; A154-I214 VanDerWaalsContact O-CB 3.31Å; A154-I214 WeakPolarHBondContact O-CB 3.43Å; G156-I214 PolarHBondContact N-O 3.46Å; D157-I214 PolarHBondContact O-N 3.44Å; V159-I214 HydrophobicContact CG2-CD1 3.81Å; V159-I214 HydrophobicContact CG2-CG1 4.38Å; L173-I214 HydrophobicContact CD1-CG2 3.86Å; V175-I214 HydrophobicContact CG1-CD1 4.34Å; V175-I214 HydrophobicContact CG2-CD1 3.9Å; L208-I214 HydrophobicContact CD1-CD1 4.44Å; L208-I214 HydrophobicContact CD2-CD1 4.24Å
215A87.4Confident93.1Very high49 Ų4918.4 Ų18.441%0.40511%0.112SC..EExtended strand (participates in β ladder)trans-76.1-38.4178.800000112.2V155 R174 N213V155-A215 WeakPolarHBondContact CG2-O 3.45Å; R174-A215 HydrophobicContact CB-CB 4.3Å; R174-A215 PolarHBondContact O-N 2.86Å; N213-A215 PolarHBondContact O-N 3.09Å
216A86.4Confident93.5Very high36 Ų3614.9 Ų14.930%0.29810%0.097SC..EExtended strand (participates in β ladder)trans-156.2150175.800000112R174R174-A216 HydrophobicContact CB-CB 4.08Å; R174-A216 HydrophobicContact CG-CB 4.3Å; R174-A216 PolarHBondContact N-O 3.33Å; R174-A216 PolarHBondContact O-N 2.8Å; R174-A216 VanDerWaalsContact O-N 3.11Å
217G89Confident93.5Very high21 Ų2115 Ų1522%0.21610%0.098CC..  trans95.5-173.3173.900000114.8A154 V155 S170 T172A154-G217 CarbonylContact C-O 3.54Å; A154-G217 WeakPolarHBondContact CA-O 3.31Å; V155-G217 PolarHBondContact N-O 3.43Å; S170-G217 WeakPolarHBondContact OG-CA 3.19Å; T172-G217 WeakPolarHBondContact O-CA 3.33Å
218K92.8Very high93.3Very high78 Ų7816.6 Ų16.634%0.33911%0.109SC..EExtended strand (participates in β ladder)trans-143.9134.7-178.6-177175.3-177.8172.60110E152 V153 A154 K169 S170E152-K218 WeakPolarHBondContact OE1-CE 3.37Å; E152-K218 IonicContact OE1-NZ 3.93Å; E152-K218 PolarHBondContact OE1-NZ 3.47Å; E152-K218 WeakPolarHBondContact OE2-CE 3.11Å; E152-K218 IonicContact OE2-NZ 2.78Å; E152-K218 PolarHBondContact OE2-NZ 2.81Å; E152-K218 VanDerWaalsContact OE2-NZ 3.1Å; V153-K218 WeakPolarHBondContact O-CA 3.47Å; A154-K218 HydrophobicContact CB-CG 4.3Å; K169-K218 HydrophobicContact CB-CG 4.4Å; K169-K218 PolarHBondContact N-O 3.14Å; S170-K218 PolarHBondContact N-O 2.87Å; S170-K218 PolarHBondContact OG-N 3.14Å; S170-K218 PolarHBondContact OG-O 2.75Å
219A95.4Very high93.1Very high0 Ų020 Ų200%013%0.127CC..EExtended strand (participates in β ladder)trans-145.6158.9179.600000113V153 I165 S167 I168 L173V153-A219 HydrophobicContact CG2-CB 4.32Å; V153-A219 PolarHBondContact N-O 3.37Å; V153-A219 PolarHBondContact O-N 3.42Å; I165-A219 HydrophobicContact CG2-CB 4.34Å; S167-A219 CarbonylContact O-C 3.59Å; S167-A219 WeakPolarHBondContact O-CA 3.28Å; I168-A219 HydrophobicContact CG1-CB 4.38Å; L173-A219 HydrophobicContact CD1-CB 3.94Å; L173-A219 HydrophobicContact CD2-CB 3.56Å; L173-A219 HydrophobicContact CG-CB 4.29Å
220V96.1Very high93Very high8 Ų820 Ų205%0.04813%0.127CC..EExtended strand (participates in β ladder)trans-119.6138.3173.7179.30000108.3E20 I150 V151 E152 C166 S167 K169E20-V220 HydrophobicContact CG-CG1 4.17Å; I150-V220 HydrophobicContact CG2-CG1 3.52Å; V151-V220 WeakPolarHBondContact O-CA 3.42Å; E152-V220 HydrophobicContact CG-CG2 4.46Å; C166-V220 PolarHBondContact N-O 3.15Å; S167-V220 PolarHBondContact N-O 3.26Å; S167-V220 PolarHBondContact O-N 3.46Å; K169-V220 HydrophobicContact CG-CG2 4.38Å
221G96Very high92.7Very high2 Ų221.1 Ų21.12%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-152.2174.3-179.700000113.2I150 V151 R164I150-G221 CarbonylContact C-O 3.55Å; I150-G221 WeakPolarHBondContact CA-O 3.38Å; V151-G221 WeakPolarHBondContact CG2-O 3.37Å; V151-G221 PolarHBondContact N-O 2.79Å; V151-G221 PolarHBondContact O-N 2.95Å; R164-G221 CarbonylContact O-C 3.19Å; R164-G221 WeakPolarHBondContact O-CA 3.34Å
222V96.9Very high92.6Very high0 Ų021.2 Ų21.20%013%0.132CC..EExtended strand (participates in β ladder)trans-106133.8177.4177.90000108.8V12 Y13 F16 V18 D149 I150 I163 R164 C166 V224V12-V222 HydrophobicContact CG1-CB 4.01Å; V12-V222 HydrophobicContact CG1-CG1 4.06Å; V12-V222 HydrophobicContact CG1-CG2 4.24Å; Y13-V222 HydrophobicContact CD1-CG2 3.62Å; Y13-V222 HydrophobicContact CE1-CG2 3.38Å; F16-V222 HydrophobicContact CD2-CG1 3.84Å; F16-V222 HydrophobicContact CE2-CG1 4.25Å; F16-V222 HydrophobicContact CG-CG1 4.46Å; V18-V222 HydrophobicContact CG1-CG2 4.33Å; D149-V222 WeakPolarHBondContact O-CA 3.43Å; I150-V222 HydrophobicContact CD1-CB 4.41Å; I150-V222 HydrophobicContact CD1-CG2 3.41Å; I150-V222 VanDerWaalsContact CD1-CG2 3.41Å; I163-V222 CarbonylContact C-O 3.55Å; I163-V222 WeakPolarHBondContact CA-O 3.34Å; R164-V222 PolarHBondContact N-O 3.08Å; R164-V222 PolarHBondContact O-N 3.11Å; C166-V222 VanDerWaalsContact SG-CG2 3.54Å; V222-V224 PolarHBondContact O-N 3.41Å
223V96.9Very high92.5Very high0 Ų021.2 Ų21.20%013%0.131CC..EExtended strand (participates in β ladder)trans-70.7127.2173.6-1800000109.8I145 G148 D149 V151 A161 I163 T226I145-V223 HydrophobicContact CG2-CB 4.39Å; I145-V223 HydrophobicContact CG2-CG1 4.19Å; I145-V223 HydrophobicContact CG2-CG2 3.61Å; G148-V223 PolarHBondContact N-O 3.28Å; D149-V223 HydrophobicContact CB-CG2 4.17Å; D149-V223 PolarHBondContact O-N 3.2Å; V151-V223 HydrophobicContact CB-CG2 4.39Å; V151-V223 HydrophobicContact CG1-CG2 3.53Å; V151-V223 HydrophobicContact CG2-CG2 3.91Å; A161-V223 HydrophobicContact CB-CG1 3.69Å; A161-V223 HydrophobicContact CB-CG2 4.39Å; I163-V223 HydrophobicContact CG1-CG2 4.03Å; V223-T226 HydrophobicContact CG1-CG2 3.57Å
224V95.9Very high92.3Very high6 Ų622.6 Ų22.64%0.03613%0.134CC..EExtended strand (participates in β ladder)trans-113-24.5-176.5-60.10000114.1M1 A4 V12 F16 D162 R164 M207 V222M1-V224 PolarHBondContact N-O 2.95Å; M1-V224 VanDerWaalsContact N-O 3.14Å; A4-V224 HydrophobicContact CB-CB 4Å; A4-V224 HydrophobicContact CB-CG1 3.65Å; A4-V224 HydrophobicContact CB-CG2 4.08Å; V12-V224 HydrophobicContact CG1-CG1 4.5Å; F16-V224 HydrophobicContact CE2-CG1 4.22Å; D162-V224 HydrophobicContact CB-CG2 4.33Å; D162-V224 WeakPolarHBondContact O-CG2 3.42Å; D162-V224 PolarHBondContact O-N 3.19Å; R164-V224 HydrophobicContact CB-CG1 3.71Å; M207-V224 HydrophobicContact CE-CG2 3.68Å; V222-V224 PolarHBondContact O-N 3.41Å
225A95.1Very high91.9Very high17 Ų1722.8 Ų22.814%0.1414%0.135CC..EExtended strand (participates in β ladder)trans-149149.6174.100000110.9D162 N229 T230D162-A225 HydrophobicContact CB-CB 4.18Å; D162-A225 PolarHBondContact N-O 3.28Å; D162-A225 PolarHBondContact O-N 2.91Å; A225-N229 HydrophobicContact CB-CB 4.12Å; A225-N229 WeakPolarHBondContact CB-O 3.48Å; A225-T230 HydrophobicContact CB-CG2 4.47Å; A225-T230 WeakPolarHBondContact O-CG2 3.35Å
226T94.9Very high91.7Very high2 Ų221.6 Ų21.61%0.01212%0.12CC..  trans-140.1156.6-176.851.50000110.5N39 P147 A161 V223 N229N39-T226 HydrophobicContact CB-CG2 3.94Å; N39-T226 VanDerWaalsContact OD1-CA 3.27Å; N39-T226 WeakPolarHBondContact OD1-CA 3.29Å; N39-T226 VanDerWaalsContact OD1-CB 3.23Å; N39-T226 WeakPolarHBondContact OD1-CB 3.46Å; P147-T226 WeakPolarHBondContact CD-OG1 3.48Å; P147-T226 HydrophobicContact CG-CG2 4.09Å; A161-T226 HydrophobicContact CB-CG2 4.09Å; V223-T226 HydrophobicContact CG1-CG2 3.57Å; T226-N229 PolarHBondContact O-N 3.39Å
227G91.7Very high91.7Very high4 Ų423 Ų234%0.04112%0.123CC..G310 helixtrans56.7-134.5179.200000112.5N39 N229 T230N39-G227 PolarHBondContact OD1-N 2.74Å; G227-N229 PolarHBondContact O-N 3.04Å; G227-N229 VanDerWaalsContact O-N 3.1Å; G227-T230 WeakPolarHBondContact O-CB 3.2Å; G227-T230 WeakPolarHBondContact O-CG2 3.48Å; G227-T230 PolarHBondContact O-N 3.29Å; G227-T230 VanDerWaalsContact O-N 3.13Å; G227-T230 PolarHBondContact O-OG1 2.92Å
228V90.9Very high91.5Very high44 Ų4425.3 Ų25.327%0.26713%0.128SC..G310 helixtrans-57.9-22.4179.8-62.80000114.6P42 T230 G233 K234P42-V228 HydrophobicContact CG-CG1 3.99Å; V228-T230 VanDerWaalsContact C-N 3.28Å; V228-T230 PolarHBondContact O-N 3.13Å; V228-G233 CarbonylContact O-C 3.49Å; V228-G233 WeakPolarHBondContact O-CA 3.4Å; V228-K234 PolarHBondContact O-N 3.18Å
229N93Very high90.9Very high75 Ų7521.6 Ų21.640%0.40111%0.112SC..G310 helixtrans-80.2-8.2-178.8-62-62000113.8A225 T226 G227A225-N229 HydrophobicContact CB-CB 4.12Å; A225-N229 WeakPolarHBondContact CB-O 3.48Å; T226-N229 PolarHBondContact O-N 3.39Å; G227-N229 PolarHBondContact O-N 3.04Å; G227-N229 VanDerWaalsContact O-N 3.1Å
230T92.8Very high90.2Very high2 Ų223.4 Ų23.41%0.01213%0.126CC..SBendtrans-75.4164.9175.360.60000111.3D162 A225 G227 V228 I232 G233 K234D162-T230 HydrophobicContact CB-CG2 4.24Å; D162-T230 VanDerWaalsContact OD2-CA 3.24Å; D162-T230 WeakPolarHBondContact OD2-CA 3.04Å; A225-T230 HydrophobicContact CB-CG2 4.47Å; A225-T230 WeakPolarHBondContact O-CG2 3.35Å; G227-T230 WeakPolarHBondContact O-CB 3.2Å; G227-T230 WeakPolarHBondContact O-CG2 3.48Å; G227-T230 PolarHBondContact O-N 3.29Å; G227-T230 VanDerWaalsContact O-N 3.13Å; G227-T230 PolarHBondContact O-OG1 2.92Å; V228-T230 VanDerWaalsContact C-N 3.28Å; V228-T230 PolarHBondContact O-N 3.13Å; T230-I232 VanDerWaalsContact C-N 3.3Å; T230-I232 PolarHBondContact O-N 3.35Å; T230-I232 WeakPolarHBondContact OG1-CG2 3.14Å; T230-G233 WeakPolarHBondContact O-CA 3.2Å; T230-G233 PolarHBondContact O-N 2.83Å; T230-G233 PolarHBondContact OG1-N 3.11Å; T230-K234 WeakPolarHBondContact O-CG 3.37Å; T230-K234 PolarHBondContact O-N 2.63Å
231E89.3Confident89.5Confident28 Ų2826.8 Ų26.813%0.13116%0.156CC..Hα-helixtrans-59.1-39.1175.1-64.5-60.1133.700112.5D162 L180 N201 K204 F209 G233 K234 I235D162-E231 PolarHBondContact OD2-N 3.09Å; L180-E231 HydrophobicContact CD1-CB 4.3Å; L180-E231 HydrophobicContact CD2-CB 4.5Å; N201-E231 PolarHBondContact ND2-OE2 3.41Å; N201-E231 PolarHBondContact OD1-OE2 3.09Å; K204-E231 IonicContact NZ-OE1 2.91Å; F209-E231 HydrophobicContact CD1-CB 4.29Å; F209-E231 HydrophobicContact CD1-CG 3.62Å; F209-E231 HydrophobicContact CE1-CG 3.79Å; E231-G233 VanDerWaalsContact C-N 3.35Å; E231-K234 IonicContact OE1-NZ 3.99Å; E231-K234 PolarHBondContact OE1-NZ 2.78Å; E231-I235 WeakPolarHBondContact O-CG1 3.43Å; E231-I235 PolarHBondContact O-N 2.89Å
232I88.3Confident88.6Confident5 Ų527.9 Ų27.93%0.02616%0.162CC..Hα-helixtrans-70.3-32.2173.4-165.2169.4000112.2T230 I235 R236 V703T230-I232 VanDerWaalsContact C-N 3.3Å; T230-I232 PolarHBondContact O-N 3.35Å; T230-I232 WeakPolarHBondContact OG1-CG2 3.14Å; I232-I235 PolarHBondContact O-N 2.91Å; I232-R236 PolarHBondContact O-N 3.04Å; I232-V703 HydrophobicContact CG1-CG1 4.34Å
233G88.7Confident87.5Confident0 Ų036.5 Ų36.50%020%0.202CC..Hα-helixtrans-64.8-41.3174.200000113.2V228 T230 E231 R236 D237V228-G233 CarbonylContact O-C 3.49Å; V228-G233 WeakPolarHBondContact O-CA 3.4Å; T230-G233 WeakPolarHBondContact O-CA 3.2Å; T230-G233 PolarHBondContact O-N 2.83Å; T230-G233 PolarHBondContact OG1-N 3.11Å; E231-G233 VanDerWaalsContact C-N 3.35Å; G233-R236 WeakPolarHBondContact O-CB 3.46Å; G233-R236 PolarHBondContact O-N 3.27Å; G233-D237 PolarHBondContact O-N 2.85Å
234K87.4Confident86.1Confident93 Ų9342.4 Ų42.440%0.40423%0.23SC..Hα-helixtrans-61.7-43.6173.5-66.7170.8-171.1171.10111.7V228 T230 E231 R236 D237 E238V228-K234 PolarHBondContact O-N 3.18Å; T230-K234 WeakPolarHBondContact O-CG 3.37Å; T230-K234 PolarHBondContact O-N 2.63Å; E231-K234 IonicContact OE1-NZ 3.99Å; E231-K234 PolarHBondContact OE1-NZ 2.78Å; K234-R236 VanDerWaalsContact C-N 3.29Å; K234-R236 PolarHBondContact O-N 2.71Å; K234-D237 PolarHBondContact O-N 2.73Å; K234-E238 WeakPolarHBondContact O-CG 3.37Å; K234-E238 PolarHBondContact O-N 2.68Å
235I84.6Confident84.9Confident8 Ų849.1 Ų49.14%0.04126%0.261CS..Hα-helixtrans-57.8-44.9174.6-71.3170.2000110.4L180 E231 I232 E238 M239 P679 V703 P707L180-I235 HydrophobicContact CD2-CD1 3.62Å; E231-I235 WeakPolarHBondContact O-CG1 3.43Å; E231-I235 PolarHBondContact O-N 2.89Å; I232-I235 PolarHBondContact O-N 2.91Å; I235-E238 PolarHBondContact O-N 2.98Å; I235-M239 HydrophobicContact CG2-SD 4.23Å; I235-M239 WeakPolarHBondContact O-CG 3.46Å; I235-M239 PolarHBondContact O-N 2.84Å; I235-P679 HydrophobicContact CD1-CG 4.49Å; I235-V703 HydrophobicContact CD1-CG1 4.4Å; I235-V703 HydrophobicContact CG2-CG1 4.07Å; I235-P707 HydrophobicContact CB-CG 4.41Å; I235-P707 HydrophobicContact CG2-CG 3.77Å
236R84.6Confident84.1Confident25 Ų2553.9 Ų53.99%0.09428%0.278CS..Hα-helixtrans-62-44.8177.3176.7-93.1-177.3-168.5-7.1112.1L41 P42 L119 I232 G233 K234 M239 A240L41-R236 HydrophobicContact CD1-CB 4.44Å; L41-R236 HydrophobicContact CD1-CG 4.4Å; L41-R236 HydrophobicContact CD2-CB 4.15Å; L41-R236 HydrophobicContact CD2-CG 4.19Å; P42-R236 VanDerWaalsContact CD-CZ 3.46Å; P42-R236 PolarHBondContact O-NH2 2.84Å; L119-R236 HydrophobicContact CD1-CB 4.13Å; L119-R236 HydrophobicContact CD1-CG 4.22Å; I232-R236 PolarHBondContact O-N 3.04Å; G233-R236 WeakPolarHBondContact O-CB 3.46Å; G233-R236 PolarHBondContact O-N 3.27Å; K234-R236 VanDerWaalsContact C-N 3.29Å; K234-R236 PolarHBondContact O-N 2.71Å; R236-M239 PolarHBondContact O-N 3.29Å; R236-A240 WeakPolarHBondContact O-CB 3.48Å; R236-A240 PolarHBondContact O-N 2.89Å
237D86.1Confident83.4Confident64 Ų6454.7 Ų54.734%0.34228%0.283SS..Hα-helixtrans-67.4-37.7179.5-75.7-4.8000111.7G233 K234 A240 A241G233-D237 PolarHBondContact O-N 2.85Å; K234-D237 PolarHBondContact O-N 2.73Å; D237-A240 PolarHBondContact O-N 3.37Å; D237-A241 VanDerWaalsContact O-CB 3.3Å; D237-A241 WeakPolarHBondContact O-CB 3.39Å; D237-A241 PolarHBondContact O-N 2.67Å
238E83.2Confident82.9Confident71 Ų7154.9 Ų54.933%0.33228%0.284SS..Hα-helixtrans-61.4-43.3171.3-75-178.9-166.900111.6K234 I235 A241 T242 P707K234-E238 WeakPolarHBondContact O-CG 3.37Å; K234-E238 PolarHBondContact O-N 2.68Å; I235-E238 PolarHBondContact O-N 2.98Å; E238-A241 PolarHBondContact O-N 3.48Å; E238-T242 PolarHBondContact O-N 2.94Å; E238-T242 VanDerWaalsContact O-N 3.12Å; E238-T242 PolarHBondContact O-OG1 3.03Å; E238-P707 HydrophobicContact CB-CB 4.2Å; E238-P707 HydrophobicContact CB-CG 4.36Å
239M80.2Confident82.3Confident0 Ų053.1 Ų53.10%027%0.273CS..Hα-helixtrans-64.1-41.3175.6-73.2177.668.300112.4L119 I235 R236 T242 A706 P707 K710 A728L119-M239 HydrophobicContact CD1-CE 4.37Å; L119-M239 HydrophobicContact CD1-SD 3.9Å; I235-M239 HydrophobicContact CG2-SD 4.23Å; I235-M239 WeakPolarHBondContact O-CG 3.46Å; I235-M239 PolarHBondContact O-N 2.84Å; R236-M239 PolarHBondContact O-N 3.29Å; M239-T242 PolarHBondContact O-N 3.41Å; M239-A706 HydrophobicContact CE-CB 3.88Å; M239-A706 HydrophobicContact CG-CB 4.34Å; M239-A706 HydrophobicContact SD-CB 3.38Å; M239-A706 WeakPolarHBondContact SD-CB 3.48Å; M239-P707 HydrophobicContact CG-CB 4.44Å; M239-P707 HydrophobicContact CG-CG 4.13Å; M239-K710 HydrophobicContact CB-CD 4.39Å; M239-K710 WeakPolarHBondContact O-CD 3.49Å; M239-K710 WeakPolarHBondContact O-CE 3.28Å; M239-K710 PolarHBondContact O-NZ 3.04Å; M239-A728 HydrophobicContact CE-CB 3.79Å
240A81.1Confident81.7Confident37 Ų3753 Ų5331%0.30627%0.27SS..Hα-helixtrans-67.9-35.9178.500000111.9R236 D237 T242R236-A240 WeakPolarHBondContact O-CB 3.48Å; R236-A240 PolarHBondContact O-N 2.89Å; D237-A240 PolarHBondContact O-N 3.37Å; A240-T242 VanDerWaalsContact C-N 3.3Å; A240-T242 PolarHBondContact O-N 3Å
241A81.2Confident81.4Confident80 Ų8057.3 Ų57.366%0.66129%0.29SS*.Hα-helixtrans-76.2-15.7177.600000114D237 E238 E243D237-A241 VanDerWaalsContact O-CB 3.3Å; D237-A241 WeakPolarHBondContact O-CB 3.39Å; D237-A241 PolarHBondContact O-N 2.67Å; E238-A241 PolarHBondContact O-N 3.48Å; A241-E243 PolarHBondContact O-N 3.24Å
242T78.1Confident81.1Confident25 Ų2557.7 Ų57.715%0.15329%0.291CS..  trans-82.5105.7-179.7-57.60000109.8E238 M239 A240 K710 K711E238-T242 PolarHBondContact O-N 2.94Å; E238-T242 VanDerWaalsContact O-N 3.12Å; E238-T242 PolarHBondContact O-OG1 3.03Å; M239-T242 PolarHBondContact O-N 3.41Å; A240-T242 VanDerWaalsContact C-N 3.3Å; A240-T242 PolarHBondContact O-N 3Å; T242-K710 HydrophobicContact CG2-CG 4.36Å; T242-K710 WeakPolarHBondContact O-CE 3.43Å; T242-K711 HydrophobicContact CG2-CB 3.81Å; T242-K711 HydrophobicContact CG2-CG 4.11Å
243E74.4Confident80.7Confident180 Ų18059.4 Ų59.484%0.84130%0.3SS*.PPolyproline II helixtrans-74.5132.7169.4-65.8-178.7-179.400109.8A241A241-E243 PolarHBondContact O-N 3.24Å
244Q66.3Low80.4Confident124 Ų12462.1 Ų62.158%0.57931%0.314SS*.PPolyproline II helixtrans-76.5122.7172.8-108169.3-14.200109.1E730Q244-E730 PolarHBondContact NE2-OE1 2.93Å
245E70.4Confident80.2Confident148 Ų14861.6 Ų61.669%0.69231%0.313SS*.PPolyproline II helixtrans-71.7146.5171.3-68.4-163.4171.500111
246K78.1Confident80.1Confident116 Ų11663 Ų6350%0.50432%0.319SS..PPolyproline II helixtrans-63145.1172.7-64.5-170-176.5-168.80110.5Q250 Q251 D254K246-Q250 HydrophobicContact CB-CB 4.18Å; K246-Q251 HydrophobicContact CB-CG 4Å; K246-Q251 PolarHBondContact O-NE2 3.11Å; K246-D254 IonicContact NZ-OD2 2.73Å; K246-D254 PolarHBondContact NZ-OD2 2.92Å
247T81Confident79.9Confident19 Ų1962 Ų6212%0.11732%0.317CS..PPolyproline II helixtrans-63.6155.1179.769.50000112.1L249 Q250 Q251 P337 T341T247-L249 PolarHBondContact O-N 3.49Å; T247-L249 VanDerWaalsContact O-N 3.17Å; T247-Q250 VanDerWaalsContact N-OE1 3.12Å; T247-Q250 WeakPolarHBondContact O-CB 3.35Å; T247-Q250 PolarHBondContact O-N 3.34Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.49Å; T247-Q250 PolarHBondContact OG1-N 2.88Å; T247-Q251 WeakPolarHBondContact O-CG 3.41Å; T247-Q251 PolarHBondContact O-N 3.25Å; T247-P337 HydrophobicContact CG2-CB 3.55Å; T247-T341 WeakPolarHBondContact CB-OG1 3.23Å; T247-T341 WeakPolarHBondContact CG2-OG1 3.22Å
248P81.1Confident79.8Confident9 Ų964.1 Ų64.16%0.05833%0.325CS..Hα-helixtrans-53.1-39.8177.9-28.235.6000112.8K252 I695 A822P248-K252 WeakPolarHBondContact O-CG 3.4Å; P248-K252 PolarHBondContact O-N 3.28Å; P248-I695 HydrophobicContact CG-CD1 3.93Å; P248-A822 HydrophobicContact CB-CB 4.33Å; P248-A822 HydrophobicContact CG-CB 4.34Å
249L79.2Confident79.8Confident7 Ų765.7 Ų65.74%0.03733%0.332CS..Hα-helixtrans-64.5-47.1175178.970.6000112.4T247 Q251 K252 L253 E340 M755 I759 L826T247-L249 PolarHBondContact O-N 3.49Å; T247-L249 VanDerWaalsContact O-N 3.17Å; L249-Q251 VanDerWaalsContact C-N 3.3Å; L249-Q251 PolarHBondContact O-N 2.86Å; L249-K252 CarbonylContact O-C 3.5Å; L249-K252 PolarHBondContact O-N 3.45Å; L249-L253 HydrophobicContact CD1-CD1 4.47Å; L249-L253 HydrophobicContact CD1-CG 4.36Å; L249-L253 HydrophobicContact CD2-CD1 4.43Å; L249-L253 HydrophobicContact CG-CD1 4.03Å; L249-L253 HydrophobicContact CG-CG 4.32Å; L249-L253 WeakPolarHBondContact O-CG 3.38Å; L249-L253 PolarHBondContact O-N 3.04Å; L249-E340 HydrophobicContact CB-CG 4.02Å; L249-E340 HydrophobicContact CD2-CG 4.25Å; L249-M755 HydrophobicContact CD2-CE 3.17Å; L249-M755 HydrophobicContact CD2-SD 4.36Å; L249-M755 HydrophobicContact CG-CE 4.47Å; L249-I759 HydrophobicContact CD1-CD1 4.26Å; L249-L826 HydrophobicContact CD1-CD2 4.36Å
250Q80.7Confident79.8Confident71 Ų7166.9 Ų66.933%0.33234%0.338SS..Hα-helixtrans-58.8-44.4178.2-76.6173.3-22.100110.9K246 T247 K252 L253 D254K246-Q250 HydrophobicContact CB-CB 4.18Å; T247-Q250 VanDerWaalsContact N-OE1 3.12Å; T247-Q250 WeakPolarHBondContact O-CB 3.35Å; T247-Q250 PolarHBondContact O-N 3.34Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.49Å; T247-Q250 PolarHBondContact OG1-N 2.88Å; Q250-K252 VanDerWaalsContact C-N 3.27Å; Q250-K252 PolarHBondContact O-N 3.01Å; Q250-L253 PolarHBondContact O-N 3Å; Q250-L253 VanDerWaalsContact O-N 3.15Å; Q250-D254 PolarHBondContact O-N 2.75Å
251Q84.7Confident79.8Confident94 Ų9465.7 Ų65.744%0.43933%0.328SS..Hα-helixtrans-58.6-39.4174.6-64.6179.111.900112K246 T247 L249 E255K246-Q251 HydrophobicContact CB-CG 4Å; K246-Q251 PolarHBondContact O-NE2 3.11Å; T247-Q251 WeakPolarHBondContact O-CG 3.41Å; T247-Q251 PolarHBondContact O-N 3.25Å; L249-Q251 VanDerWaalsContact C-N 3.3Å; L249-Q251 PolarHBondContact O-N 2.86Å; Q251-E255 WeakPolarHBondContact O-CB 3.32Å; Q251-E255 PolarHBondContact O-N 3.14Å
252K82.8Confident80Confident36 Ų3668.7 Ų68.716%0.15733%0.326CS..Hα-helixtrans-71.7-33.3176.1-70.6-45.3-171.2-171.60113.7P248 L249 Q250 E255 F256 L826P248-K252 WeakPolarHBondContact O-CG 3.4Å; P248-K252 PolarHBondContact O-N 3.28Å; L249-K252 CarbonylContact O-C 3.5Å; L249-K252 PolarHBondContact O-N 3.45Å; Q250-K252 VanDerWaalsContact C-N 3.27Å; Q250-K252 PolarHBondContact O-N 3.01Å; K252-E255 WeakPolarHBondContact CD-OE2 3.36Å; K252-E255 IonicContact NZ-OE2 2.7Å; K252-E255 PolarHBondContact NZ-OE2 3.36Å; K252-F256 WeakPolarHBondContact O-CB 3.4Å; K252-F256 PolarHBondContact O-N 3.21Å; K252-L826 HydrophobicContact CB-CD1 4.08Å; K252-L826 HydrophobicContact CB-CG 4.31Å
253L81.3Confident80.3Confident41 Ų4171.2 Ų71.222%0.21534%0.341CS..Hα-helixtrans-68.5-41.5173.5-69.4171.8000110.9L249 Q250 F256 G257 L311 I315L249-L253 HydrophobicContact CD1-CD1 4.47Å; L249-L253 HydrophobicContact CD1-CG 4.36Å; L249-L253 HydrophobicContact CD2-CD1 4.43Å; L249-L253 HydrophobicContact CG-CD1 4.03Å; L249-L253 HydrophobicContact CG-CG 4.32Å; L249-L253 WeakPolarHBondContact O-CG 3.38Å; L249-L253 PolarHBondContact O-N 3.04Å; Q250-L253 PolarHBondContact O-N 3Å; Q250-L253 VanDerWaalsContact O-N 3.15Å; L253-F256 PolarHBondContact O-N 3.3Å; L253-G257 PolarHBondContact O-N 3.03Å; L253-L311 HydrophobicContact CD2-CD2 4.06Å; L253-I315 HydrophobicContact CD1-CD1 3.76Å; L253-I315 HydrophobicContact CD2-CD1 4.31Å
254D81.7Confident80.7Confident56 Ų5663 Ų6330%0.29930%0.302SS..Hα-helixtrans-62.3-47.4173.8-70.8-3.3000111K246 Q250 F256 G257 Q258K246-D254 IonicContact NZ-OD2 2.73Å; K246-D254 PolarHBondContact NZ-OD2 2.92Å; Q250-D254 PolarHBondContact O-N 2.75Å; D254-F256 VanDerWaalsContact C-N 3.32Å; D254-F256 PolarHBondContact O-N 3.29Å; D254-G257 PolarHBondContact O-N 3.36Å; D254-Q258 WeakPolarHBondContact O-CG 3.43Å; D254-Q258 PolarHBondContact O-N 2.93Å
255E84.3Confident81.5Confident82 Ų8260.5 Ų60.538%0.38330%0.296SS..Hα-helixtrans-59.6-44.5176.2-172.9-176.4179.300111Q251 K252 Q258 Q259Q251-E255 WeakPolarHBondContact O-CB 3.32Å; Q251-E255 PolarHBondContact O-N 3.14Å; K252-E255 WeakPolarHBondContact CD-OE2 3.36Å; K252-E255 IonicContact NZ-OE2 2.7Å; K252-E255 PolarHBondContact NZ-OE2 3.36Å; E255-Q258 PolarHBondContact O-N 3.4Å; E255-Q259 WeakPolarHBondContact O-CG 3.49Å; E255-Q259 PolarHBondContact O-N 2.96Å
256F81.6Confident82.3Confident38 Ų3859.2 Ų59.217%0.16729%0.293CS..Hα-helixtrans-61.5-46.3176.2173.6-102.7000111.6K252 L253 D254 Q258 Q259 L260 P308 I763K252-F256 WeakPolarHBondContact O-CB 3.4Å; K252-F256 PolarHBondContact O-N 3.21Å; L253-F256 PolarHBondContact O-N 3.3Å; D254-F256 VanDerWaalsContact C-N 3.32Å; D254-F256 PolarHBondContact O-N 3.29Å; F256-Q258 VanDerWaalsContact C-N 3.3Å; F256-Q258 PolarHBondContact O-N 3.13Å; F256-Q259 PolarHBondContact O-N 3.5Å; F256-Q259 VanDerWaalsContact O-N 3.14Å; F256-L260 HydrophobicContact CE1-CD2 3.95Å; F256-L260 HydrophobicContact CZ-CD2 4.12Å; F256-L260 WeakPolarHBondContact O-CB 3.35Å; F256-L260 PolarHBondContact O-N 2.86Å; F256-P308 HydrophobicContact CE1-CG 4.44Å; F256-I763 HydrophobicContact CD2-CD1 4.35Å; F256-I763 HydrophobicContact CE1-CD1 3.98Å; F256-I763 HydrophobicContact CE1-CG1 4.27Å; F256-I763 HydrophobicContact CE2-CD1 3.65Å; F256-I763 HydrophobicContact CE2-CG1 4.29Å; F256-I763 HydrophobicContact CE2-CG2 4.42Å; F256-I763 HydrophobicContact CZ-CD1 3.44Å; F256-I763 VanDerWaalsContact CZ-CD1 3.44Å; F256-I763 HydrophobicContact CZ-CG1 3.69Å; F256-I763 HydrophobicContact CZ-CG2 4.29Å
257G81Confident82.6Confident4 Ų455.2 Ų55.24%0.04128%0.277CS..Hα-helixtrans-60.3-39.1177.900000112.7L253 D254 S261L253-G257 PolarHBondContact O-N 3.03Å; D254-G257 PolarHBondContact O-N 3.36Å; G257-S261 VanDerWaalsContact O-CB 3.32Å; G257-S261 WeakPolarHBondContact O-CB 3.37Å; G257-S261 PolarHBondContact O-N 3.29Å
258Q83.6Confident82.6Confident108 Ų10855.8 Ų55.851%0.50528%0.281SS..Hα-helixtrans-66.2-40.7173.7-69.2177.817.200113D254 E255 F256 K262D254-Q258 WeakPolarHBondContact O-CG 3.43Å; D254-Q258 PolarHBondContact O-N 2.93Å; E255-Q258 PolarHBondContact O-N 3.4Å; F256-Q258 VanDerWaalsContact C-N 3.3Å; F256-Q258 PolarHBondContact O-N 3.13Å; Q258-K262 WeakPolarHBondContact O-CG 3.33Å; Q258-K262 PolarHBondContact O-N 3.34Å
259Q83.4Confident82.8Confident104 Ų10459.8 Ų59.849%0.48630%0.301SS..Hα-helixtrans-65.7-46.2176.5-72.5-178.97.100111E255 F256 S261 K262 V263E255-Q259 WeakPolarHBondContact O-CG 3.49Å; E255-Q259 PolarHBondContact O-N 2.96Å; F256-Q259 PolarHBondContact O-N 3.5Å; F256-Q259 VanDerWaalsContact O-N 3.14Å; Q259-S261 PolarHBondContact O-N 2.72Å; Q259-K262 WeakPolarHBondContact O-CB 3.47Å; Q259-K262 PolarHBondContact O-N 3.27Å; Q259-V263 WeakPolarHBondContact O-CG2 3.34Å; Q259-V263 PolarHBondContact O-N 2.86Å
260L80.8Confident83.1Confident26 Ų2661 Ų6114%0.13631%0.312CS..Hα-helixtrans-60.5-46178.8-176.963.4000111.3L61 F256 K262 V263 I264 A306L61-L260 HydrophobicContact CD2-CD2 4.33Å; F256-L260 HydrophobicContact CE1-CD2 3.95Å; F256-L260 HydrophobicContact CZ-CD2 4.12Å; F256-L260 WeakPolarHBondContact O-CB 3.35Å; F256-L260 PolarHBondContact O-N 2.86Å; L260-K262 VanDerWaalsContact C-N 3.29Å; L260-K262 PolarHBondContact O-N 2.92Å; L260-V263 WeakPolarHBondContact O-CB 3.49Å; L260-V263 PolarHBondContact O-N 3.23Å; L260-I264 HydrophobicContact CD1-CD1 4.47Å; L260-I264 HydrophobicContact CD1-CG1 4.5Å; L260-I264 HydrophobicContact CG-CD1 3.99Å; L260-I264 HydrophobicContact CG-CG1 4.45Å; L260-I264 WeakPolarHBondContact O-CG1 3.07Å; L260-I264 PolarHBondContact O-N 3.15Å; L260-A306 HydrophobicContact CD1-CB 4.45Å; L260-A306 WeakPolarHBondContact CD2-O 3.46Å
261S80.9Confident83Confident11 Ų1157.9 Ų57.98%0.07730%0.298CS..Hα-helixtrans-55.9-41175.7173.90000112.9L60 I64 G257 Q259 T265L60-S261 VanDerWaalsContact CD2-OG 3.28Å; L60-S261 WeakPolarHBondContact CD2-OG 3Å; I64-S261 VanDerWaalsContact CD1-OG 3.29Å; I64-S261 WeakPolarHBondContact CD1-OG 3.21Å; G257-S261 VanDerWaalsContact O-CB 3.32Å; G257-S261 WeakPolarHBondContact O-CB 3.37Å; G257-S261 PolarHBondContact O-N 3.29Å; Q259-S261 PolarHBondContact O-N 2.72Å; S261-T265 WeakPolarHBondContact O-CB 3.24Å; S261-T265 PolarHBondContact O-N 3.4Å; S261-T265 PolarHBondContact O-OG1 2.85Å
262K85.4Confident82.8Confident144 Ų14459 Ų5963%0.62630%0.298SS*.Hα-helixtrans-65.5-41.8175.4-70168.9-175.5169.20111.8Q258 Q259 L260 T265 L266Q258-K262 WeakPolarHBondContact O-CG 3.33Å; Q258-K262 PolarHBondContact O-N 3.34Å; Q259-K262 WeakPolarHBondContact O-CB 3.47Å; Q259-K262 PolarHBondContact O-N 3.27Å; L260-K262 VanDerWaalsContact C-N 3.29Å; L260-K262 PolarHBondContact O-N 2.92Å; K262-T265 PolarHBondContact O-N 3.22Å; K262-L266 WeakPolarHBondContact O-CB 3.18Å; K262-L266 PolarHBondContact O-N 2.78Å
263V83.5Confident82.9Confident77 Ų7762.3 Ų62.347%0.46732%0.317SS..Hα-helixtrans-63.6-48.4177.3173.10000110.6Q259 L260 T265 L266 I267Q259-V263 WeakPolarHBondContact O-CG2 3.34Å; Q259-V263 PolarHBondContact O-N 2.86Å; L260-V263 WeakPolarHBondContact O-CB 3.49Å; L260-V263 PolarHBondContact O-N 3.23Å; V263-T265 VanDerWaalsContact C-N 3.34Å; V263-T265 PolarHBondContact O-N 3.04Å; V263-L266 PolarHBondContact O-N 3.31Å; V263-I267 HydrophobicContact CG1-CD1 3.7Å; V263-I267 HydrophobicContact CG1-CG1 4.31Å; V263-I267 WeakPolarHBondContact O-CG1 3.44Å; V263-I267 PolarHBondContact O-N 2.93Å
264I82.1Confident82.9Confident7 Ų764.3 Ų64.34%0.03633%0.327CS..Hα-helixtrans-54.8-52.1176.4-66.2167.7000109.9L260 L266 I267 C268 A303 A306 I307L260-I264 HydrophobicContact CD1-CD1 4.47Å; L260-I264 HydrophobicContact CD1-CG1 4.5Å; L260-I264 HydrophobicContact CG-CD1 3.99Å; L260-I264 HydrophobicContact CG-CG1 4.45Å; L260-I264 WeakPolarHBondContact O-CG1 3.07Å; L260-I264 PolarHBondContact O-N 3.15Å; I264-L266 VanDerWaalsContact C-N 3.3Å; I264-L266 PolarHBondContact O-N 3.17Å; I264-I267 PolarHBondContact O-N 2.92Å; I264-C268 WeakPolarHBondContact O-CB 3.48Å; I264-C268 PolarHBondContact O-N 2.9Å; I264-C268 PolarHBondContact O-SG 3.19Å; I264-A303 HydrophobicContact CG2-CB 4.25Å; I264-A306 HydrophobicContact CD1-CB 3.48Å; I264-A306 VanDerWaalsContact CD1-CB 3.48Å; I264-A306 HydrophobicContact CG1-CB 3.4Å; I264-I307 HydrophobicContact CD1-CD1 4.49Å; I264-I307 HydrophobicContact CD1-CG1 4.01Å
265T83.8Confident82.6Confident72 Ų7261.9 Ų61.944%0.44231%0.314SS..Hα-helixtrans-57.8-43.1-179.5-55.40000111.7S261 K262 V263 I269S261-T265 WeakPolarHBondContact O-CB 3.24Å; S261-T265 PolarHBondContact O-N 3.4Å; S261-T265 PolarHBondContact O-OG1 2.85Å; K262-T265 PolarHBondContact O-N 3.22Å; V263-T265 VanDerWaalsContact C-N 3.34Å; V263-T265 PolarHBondContact O-N 3.04Å; T265-I269 HydrophobicContact CG2-CD1 4.11Å; T265-I269 VanDerWaalsContact O-CG1 3.28Å; T265-I269 WeakPolarHBondContact O-CG1 3.38Å; T265-I269 PolarHBondContact O-N 2.89Å; T265-I269 VanDerWaalsContact O-N 3.07Å
266L87.8Confident82.4Confident122 Ų12261.9 Ų61.964%0.63932%0.316SS*.Hα-helixtrans-65.9-42.1178.7-174.8147000112.1K262 V263 I264 I269 A270K262-L266 WeakPolarHBondContact O-CB 3.18Å; K262-L266 PolarHBondContact O-N 2.78Å; V263-L266 PolarHBondContact O-N 3.31Å; I264-L266 VanDerWaalsContact C-N 3.3Å; I264-L266 PolarHBondContact O-N 3.17Å; L266-I269 PolarHBondContact O-N 2.78Å; L266-A270 WeakPolarHBondContact O-CB 3.25Å; L266-A270 PolarHBondContact O-N 2.84Å
267I83.7Confident82Confident31 Ų3163 Ų6316%0.15934%0.338CS..Hα-helixtrans-68.5-42.2178-60.5171.4000110.3V263 I264 I269 A270 V271 L302 V770 F774V263-I267 HydrophobicContact CG1-CD1 3.7Å; V263-I267 HydrophobicContact CG1-CG1 4.31Å; V263-I267 WeakPolarHBondContact O-CG1 3.44Å; V263-I267 PolarHBondContact O-N 2.93Å; I264-I267 PolarHBondContact O-N 2.92Å; I267-I269 VanDerWaalsContact C-N 3.3Å; I267-I269 PolarHBondContact O-N 3.14Å; I267-A270 WeakPolarHBondContact O-CB 3.13Å; I267-A270 PolarHBondContact O-N 3.49Å; I267-A270 VanDerWaalsContact O-N 3.09Å; I267-V271 HydrophobicContact CG2-CG2 4.15Å; I267-V271 WeakPolarHBondContact O-CG2 3.38Å; I267-V271 PolarHBondContact O-N 2.92Å; I267-L302 HydrophobicContact CB-CD2 3.96Å; I267-L302 HydrophobicContact CG2-CD1 4.24Å; I267-L302 HydrophobicContact CG2-CD2 3.46Å; I267-L302 VanDerWaalsContact CG2-CD2 3.46Å; I267-L302 HydrophobicContact CG2-CG 4.42Å; I267-V770 HydrophobicContact CD1-CG1 3.68Å; I267-F774 HydrophobicContact CG2-CD2 3.93Å
268C81.9Confident81.5Confident31 Ų3166.4 Ų66.421%0.20935%0.352CS..Hα-helixtrans-55.4-45.3174-68.80000111.5I264 W272I264-C268 WeakPolarHBondContact O-CB 3.48Å; I264-C268 PolarHBondContact O-N 2.9Å; I264-C268 PolarHBondContact O-SG 3.19Å; C268-W272 WeakPolarHBondContact O-CB 3.24Å; C268-W272 PolarHBondContact O-N 2.78Å
269I85.1Confident81Confident93 Ų9361.2 Ų61.248%0.47733%0.328SS..Hα-helixtrans-64.1-42.5175.9-67.5166.1000110.9T265 L266 I267 W272 I273T265-I269 HydrophobicContact CG2-CD1 4.11Å; T265-I269 VanDerWaalsContact O-CG1 3.28Å; T265-I269 WeakPolarHBondContact O-CG1 3.38Å; T265-I269 PolarHBondContact O-N 2.89Å; T265-I269 VanDerWaalsContact O-N 3.07Å; L266-I269 PolarHBondContact O-N 2.78Å; I267-I269 VanDerWaalsContact C-N 3.3Å; I267-I269 PolarHBondContact O-N 3.14Å; I269-W272 PolarHBondContact O-N 2.96Å; I269-I273 HydrophobicContact CG2-CD1 3.76Å; I269-I273 HydrophobicContact CG2-CG1 4.38Å; I269-I273 VanDerWaalsContact O-CG1 3.31Å; I269-I273 WeakPolarHBondContact O-CG1 3.47Å; I269-I273 PolarHBondContact O-N 2.88Å
270A84.4Confident80.2Confident32 Ų3261.2 Ų61.226%0.26433%0.332SS..Hα-helixtrans-63.1-46.7179.100000112L266 I267 W272 I273 I274L266-A270 WeakPolarHBondContact O-CB 3.25Å; L266-A270 PolarHBondContact O-N 2.84Å; I267-A270 WeakPolarHBondContact O-CB 3.13Å; I267-A270 PolarHBondContact O-N 3.49Å; I267-A270 VanDerWaalsContact O-N 3.09Å; A270-W272 VanDerWaalsContact C-N 3.28Å; A270-W272 PolarHBondContact O-N 3.38Å; A270-I273 PolarHBondContact O-N 2.82Å; A270-I274 VanDerWaalsContact O-CG1 3.27Å; A270-I274 WeakPolarHBondContact O-CG1 3.38Å; A270-I274 PolarHBondContact O-N 2.88Å
271V79.8Confident79.6Confident6 Ų661.2 Ų61.24%0.03633%0.332CS..Hα-helixtrans-59.1-42.5175.2172.10000110.3I267 I274 N275 I298 F774 A777I267-V271 HydrophobicContact CG2-CG2 4.15Å; I267-V271 WeakPolarHBondContact O-CG2 3.38Å; I267-V271 PolarHBondContact O-N 2.92Å; V271-I274 PolarHBondContact O-N 2.81Å; V271-N275 VanDerWaalsContact O-CB 3.31Å; V271-N275 WeakPolarHBondContact O-CB 3.35Å; V271-N275 PolarHBondContact O-N 3.33Å; V271-N275 VanDerWaalsContact O-N 3.08Å; V271-N275 PolarHBondContact O-ND2 2.9Å; V271-I298 HydrophobicContact CG1-CG2 4.18Å; V271-F774 HydrophobicContact CG2-CD2 3.8Å; V271-F774 HydrophobicContact CG2-CE2 4.21Å; V271-A777 HydrophobicContact CG1-CB 4.23Å
272W80.5Confident78.6Confident117 Ų11765.1 Ų65.144%0.44336%0.357SS..Hα-helixtrans-63.7-42.5177.7-16480.6000112.5C268 I269 A270 N275 I276 F279C268-W272 WeakPolarHBondContact O-CB 3.24Å; C268-W272 PolarHBondContact O-N 2.78Å; I269-W272 PolarHBondContact O-N 2.96Å; A270-W272 VanDerWaalsContact C-N 3.28Å; A270-W272 PolarHBondContact O-N 3.38Å; W272-N275 PolarHBondContact O-N 2.83Å; W272-I276 HydrophobicContact CH2-CD1 4.11Å; W272-I276 HydrophobicContact CZ3-CD1 4.09Å; W272-I276 PolarHBondContact O-N 2.99Å; W272-F279 AromaticContact CD1-CZ 3.61Å; W272-F279 AromaticContact CE2-CE2 3.93Å; W272-F279 HydrophobicContact CG-CZ 4.32Å; W272-F279 HydrophobicContact CZ2-CE2 4.22Å; W272-F279 AromaticContact NE1-CE2 3.5Å; W272-F279 AromaticContact NE1-CZ 3.4Å
273I84.2Confident77.2Confident107 Ų10761.8 Ų61.855%0.54935%0.348SS..Hα-helixtrans-66-43.9177.2-70168.5000111.6I269 A270 N275 I276I269-I273 HydrophobicContact CG2-CD1 3.76Å; I269-I273 HydrophobicContact CG2-CG1 4.38Å; I269-I273 VanDerWaalsContact O-CG1 3.31Å; I269-I273 WeakPolarHBondContact O-CG1 3.47Å; I269-I273 PolarHBondContact O-N 2.88Å; A270-I273 PolarHBondContact O-N 2.82Å; I273-N275 PolarHBondContact O-N 3.38Å; I273-I276 WeakPolarHBondContact O-CG2 3.13Å
274I82.1Confident76Confident82 Ų8259 Ų5942%0.42133%0.33SS..Hα-helixtrans-61-39179.1-69.6165.3000110.1A270 V271 F774A270-I274 VanDerWaalsContact O-CG1 3.27Å; A270-I274 WeakPolarHBondContact O-CG1 3.38Å; A270-I274 PolarHBondContact O-N 2.88Å; V271-I274 PolarHBondContact O-N 2.81Å; I274-F774 HydrophobicContact CD1-CE2 4.18Å; I274-F774 HydrophobicContact CD1-CZ 4.23Å
275N75.8Confident74.7Confident5 Ų561.4 Ų61.43%0.02736%0.357CS..Hα-helixtrans-96.3-3.7-171.3-72.9-62000115.3V271 W272 I273 G277 H278 F279 Y295 A777V271-N275 VanDerWaalsContact O-CB 3.31Å; V271-N275 WeakPolarHBondContact O-CB 3.35Å; V271-N275 PolarHBondContact O-N 3.33Å; V271-N275 VanDerWaalsContact O-N 3.08Å; V271-N275 PolarHBondContact O-ND2 2.9Å; W272-N275 PolarHBondContact O-N 2.83Å; I273-N275 PolarHBondContact O-N 3.38Å; N275-G277 PolarHBondContact O-N 3.02Å; N275-H278 WeakPolarHBondContact O-CB 3.25Å; N275-H278 PolarHBondContact O-N 2.94Å; N275-F279 HydrophobicContact CB-CE1 4.15Å; N275-F279 WeakPolarHBondContact O-CD1 3.41Å; N275-F279 VanDerWaalsContact O-CE1 3.3Å; N275-F279 WeakPolarHBondContact O-CE1 3.39Å; N275-Y295 HydrophobicContact CB-CD1 3.48Å; N275-Y295 VanDerWaalsContact CB-CD1 3.48Å; N275-Y295 HydrophobicContact CB-CD2 4.15Å; N275-Y295 HydrophobicContact CB-CE1 3.24Å; N275-Y295 HydrophobicContact CB-CE2 3.91Å; N275-Y295 HydrophobicContact CB-CG 3.93Å; N275-Y295 VanDerWaalsContact CB-CZ 3.44Å; N275-Y295 VanDerWaalsContact CG-CZ 3.5Å; N275-Y295 WeakPolarHBondContact ND2-CE1 3.38Å; N275-Y295 WeakPolarHBondContact OD1-CE1 3.49Å; N275-Y295 PolarHBondContact OD1-OH 2.85Å; N275-Y295 VanDerWaalsContact OD1-OH 3.11Å; N275-A777 PolarHBondContact OD1-O 3.43Å
276I79.6Confident73.5Confident82 Ų8260.4 Ų60.442%0.42136%0.361SS..G310 helixtrans-56.6-29.1-179.7-160.1170.7000113W272 I273 H278W272-I276 HydrophobicContact CH2-CD1 4.11Å; W272-I276 HydrophobicContact CZ3-CD1 4.09Å; W272-I276 PolarHBondContact O-N 2.99Å; I273-I276 WeakPolarHBondContact O-CG2 3.13Å; I276-H278 VanDerWaalsContact C-N 3.29Å; I276-H278 PolarHBondContact O-N 3.37Å
277G72.4Confident72.4Confident61 Ų6156.7 Ų56.763%0.62935%0.345SS*.G310 helixtrans-68.4-25.7176.200000114N275N275-G277 PolarHBondContact O-N 3.02Å
278H71Confident71.9Confident76 Ų7661.4 Ų61.435%0.35236%0.361SS..G310 helixtrans-94-2.8-176.4-69.9-76.2000113.4N275 I276 N280 D281 Y295N275-H278 WeakPolarHBondContact O-CB 3.25Å; N275-H278 PolarHBondContact O-N 2.94Å; I276-H278 VanDerWaalsContact C-N 3.29Å; I276-H278 PolarHBondContact O-N 3.37Å; H278-N280 PolarHBondContact O-N 3.23Å; H278-N280 VanDerWaalsContact O-N 3.12Å; H278-D281 IonicContact CG-OD2 3.68Å; H278-D281 IonicContact ND1-OD2 3Å; H278-D281 PolarHBondContact ND1-OD2 2.69Å; H278-D281 WeakPolarHBondContact O-CB 3.5Å; H278-D281 PolarHBondContact O-N 3.06Å; H278-D281 VanDerWaalsContact O-N 3.11Å; H278-Y295 HydrophobicContact CB-CE2 4.2Å; H278-Y295 WeakPolarHBondContact CB-OH 3.15Å
279F72.8Confident71.3Confident0 Ų065.5 Ų65.50%038%0.38CS..THydrogen-bonded Turntrans-65.9-19.7-177.4-76.620.8000113.5W272 N275 W288 A292 Y295W272-F279 AromaticContact CD1-CZ 3.61Å; W272-F279 AromaticContact CE2-CE2 3.93Å; W272-F279 HydrophobicContact CG-CZ 4.32Å; W272-F279 HydrophobicContact CZ2-CE2 4.22Å; W272-F279 AromaticContact NE1-CE2 3.5Å; W272-F279 AromaticContact NE1-CZ 3.4Å; N275-F279 HydrophobicContact CB-CE1 4.15Å; N275-F279 WeakPolarHBondContact O-CD1 3.41Å; N275-F279 VanDerWaalsContact O-CE1 3.3Å; N275-F279 WeakPolarHBondContact O-CE1 3.39Å; F279-W288 AromaticContact CD2-CE2 3.84Å; F279-W288 HydrophobicContact CD2-CZ2 4.07Å; F279-W288 AromaticContact CD2-NE1 3.61Å; F279-W288 HydrophobicContact CE2-CZ2 4.44Å; F279-A292 HydrophobicContact CD2-CB 4.19Å; F279-A292 HydrophobicContact CE2-CB 4.13Å; F279-Y295 AromaticContact CD1-CD2 3.44Å; F279-Y295 HydrophobicContact CD1-CD2 3.44Å; F279-Y295 VanDerWaalsContact CD1-CD2 3.44Å; F279-Y295 AromaticContact CD1-CE2 3.75Å; F279-Y295 HydrophobicContact CD1-CE2 3.75Å; F279-Y295 HydrophobicContact CD1-CG 4.35Å; F279-Y295 AromaticContact CE1-CD2 3.18Å; F279-Y295 HydrophobicContact CE1-CD2 3.18Å; F279-Y295 AromaticContact CE1-CE2 3.85Å; F279-Y295 HydrophobicContact CE1-CE2 3.85Å; F279-Y295 AromaticContact CE1-CG 3.65Å; F279-Y295 HydrophobicContact CE1-CG 3.65Å; F279-Y295 HydrophobicContact CZ-CD2 4.2Å; F279-Y295 HydrophobicContact CZ-CG 4.42Å
280N66.9Low70.4Confident104 Ų10467.7 Ų67.756%0.55638%0.382SS*.THydrogen-bonded Turntrans-97.510.6179.3-69.7-28.7000113.1H278H278-N280 PolarHBondContact O-N 3.23Å; H278-N280 VanDerWaalsContact O-N 3.12Å
281D67.6Low69.8Low26 Ų2666.2 Ų66.214%0.13937%0.369CS..  trans-64.7147.4-175.2-80.9-16.3000112.7H278 V283 H284H278-D281 IonicContact CG-OD2 3.68Å; H278-D281 IonicContact ND1-OD2 3Å; H278-D281 PolarHBondContact ND1-OD2 2.69Å; H278-D281 WeakPolarHBondContact O-CB 3.5Å; H278-D281 PolarHBondContact O-N 3.06Å; H278-D281 VanDerWaalsContact O-N 3.11Å; D281-V283 VanDerWaalsContact C-N 3.3Å; D281-V283 PolarHBondContact O-N 2.95Å; D281-H284 PolarHBondContact O-N 2.84Å
282P60Low69.5Low93 Ų9367 Ų6760%0.60438%0.377SS*.G310 helixtrans-64.4-27.1-167.5-20.932.6000114.8H284 G285P282-H284 PolarHBondContact O-N 2.79Å; P282-G285 WeakPolarHBondContact O-CA 3.5Å; P282-G285 PolarHBondContact O-N 3.29Å
283V56.6Low69.1Low74 Ų7464.5 Ų64.545%0.44837%0.374SS..G310 helixtrans-66.7-24.7179.51590000112.9D281 G285 L872D281-V283 VanDerWaalsContact C-N 3.3Å; D281-V283 PolarHBondContact O-N 2.95Å; V283-G285 PolarHBondContact O-N 3.3Å; V283-L872 HydrophobicContact CB-CB 4.45Å; V283-L872 WeakPolarHBondContact CB-O 3.44Å; V283-L872 HydrophobicContact CG1-CD2 4.09Å; V283-L872 WeakPolarHBondContact CG2-O 3.34Å
284H58.6Low68.6Low18 Ų1861.5 Ų61.58%0.08336%0.356CS..G310 helixtrans-79.510.9170.7-59.3-50.5000112.8D281 P282 G286 S287 R290 G291 Y294D281-H284 PolarHBondContact O-N 2.84Å; P282-H284 PolarHBondContact O-N 2.79Å; H284-G286 VanDerWaalsContact C-N 3.32Å; H284-S287 PolarHBondContact O-N 2.98Å; H284-R290 HydrophobicContact CB-CB 3.83Å; H284-R290 VanDerWaalsContact O-CD 3.25Å; H284-R290 WeakPolarHBondContact O-CD 3.21Å; H284-G291 VanDerWaalsContact CD2-CA 3.42Å; H284-G291 WeakPolarHBondContact CD2-CA 3.45Å; H284-Y294 AromaticContact CE1-CG 3.86Å
285G54.9Low68.2Low58 Ų5858.2 Ų58.260%0.59834%0.338SS*.THydrogen-bonded Turntrans73.520.4-176.200000113.8P282 V283 S287P282-G285 WeakPolarHBondContact O-CA 3.5Å; P282-G285 PolarHBondContact O-N 3.29Å; V283-G285 PolarHBondContact O-N 3.3Å; G285-S287 PolarHBondContact O-N 3.36Å
286G57.8Low68.1Low51 Ų5162.8 Ų62.853%0.52636%0.358SS..THydrogen-bonded Turntrans68.412.7-173.100000114.2H284H284-G286 VanDerWaalsContact C-N 3.32Å
287S64.7Low67.8Low43 Ų4362.2 Ų62.230%0.30135%0.353SS..  trans-97.6113.2179.8-176.70000110.8H284 G285 I289 R290 G291H284-S287 PolarHBondContact O-N 2.98Å; G285-S287 PolarHBondContact O-N 3.36Å; S287-I289 PolarHBondContact O-N 3.35Å; S287-R290 PolarHBondContact O-N 2.89Å; S287-G291 PolarHBondContact O-N 3.33Å
288W73.3Confident68Low131 Ų13159.9 Ų59.950%0.49633%0.326SS..Hα-helixtrans-51.2-29.7174.6-169.780.6000113F279 A292F279-W288 AromaticContact CD2-CE2 3.84Å; F279-W288 HydrophobicContact CD2-CZ2 4.07Å; F279-W288 AromaticContact CD2-NE1 3.61Å; F279-W288 HydrophobicContact CE2-CZ2 4.44Å; W288-A292 VanDerWaalsContact O-CB 3.28Å; W288-A292 WeakPolarHBondContact O-CB 3.47Å; W288-A292 PolarHBondContact O-N 3.3Å
289I69.2Low68.3Low117 Ų11757.3 Ų57.360%0.632%0.318SS*.Hα-helixtrans-68-41.2179.7-64.4168.1000111.5S287 A292 V293S287-I289 PolarHBondContact O-N 3.35Å; I289-A292 PolarHBondContact O-N 3.02Å; I289-V293 VanDerWaalsContact O-CG2 3.27Å; I289-V293 WeakPolarHBondContact O-CG2 3.36Å; I289-V293 PolarHBondContact O-N 3.29Å
290R65.9Low68.3Low139 Ų13957.7 Ų57.753%0.52532%0.32SS..Hα-helixtrans-73.3-37.2-178.5-76.3179.9-179.7175.8-2.3111.8H284 S287 V293 Y294H284-R290 HydrophobicContact CB-CB 3.83Å; H284-R290 VanDerWaalsContact O-CD 3.25Å; H284-R290 WeakPolarHBondContact O-CD 3.21Å; S287-R290 PolarHBondContact O-N 2.89Å; R290-V293 PolarHBondContact O-N 2.83Å; R290-Y294 PolarHBondContact O-N 3.12Å
291G71.8Confident68.6Low0 Ų053 Ų530%030%0.295CS..Hα-helixtrans-64.8-4317100000112.3H284 S287 V293 Y294 Y295H284-G291 VanDerWaalsContact CD2-CA 3.42Å; H284-G291 WeakPolarHBondContact CD2-CA 3.45Å; S287-G291 PolarHBondContact O-N 3.33Å; G291-V293 VanDerWaalsContact C-N 3.3Å; G291-V293 PolarHBondContact O-N 3.41Å; G291-Y294 PolarHBondContact O-N 3.32Å; G291-Y295 VanDerWaalsContact O-CD2 3.3Å; G291-Y295 WeakPolarHBondContact O-CD2 3.4Å; G291-Y295 PolarHBondContact O-N 2.76Å; G291-Y295 VanDerWaalsContact O-N 3.1Å
292A73.4Confident69.2Low23 Ų2351.8 Ų51.819%0.1929%0.289CS..Hα-helixtrans-59.6-40.5174.100000112F279 W288 I289 F296F279-A292 HydrophobicContact CD2-CB 4.19Å; F279-A292 HydrophobicContact CE2-CB 4.13Å; W288-A292 VanDerWaalsContact O-CB 3.28Å; W288-A292 WeakPolarHBondContact O-CB 3.47Å; W288-A292 PolarHBondContact O-N 3.3Å; I289-A292 PolarHBondContact O-N 3.02Å; A292-F296 WeakPolarHBondContact O-CB 3.12Å; A292-F296 PolarHBondContact O-N 3.12Å
293V72.3Confident70Confident65 Ų6547.8 Ų47.839%0.39426%0.264SS..Hα-helixtrans-62.9-42.6175.2163.40000112.1L75 I289 R290 G291 F296 K297L75-V293 HydrophobicContact CD2-CG1 3.45Å; L75-V293 VanDerWaalsContact CD2-CG1 3.45Å; I289-V293 VanDerWaalsContact O-CG2 3.27Å; I289-V293 WeakPolarHBondContact O-CG2 3.36Å; I289-V293 PolarHBondContact O-N 3.29Å; R290-V293 PolarHBondContact O-N 2.83Å; G291-V293 VanDerWaalsContact C-N 3.3Å; G291-V293 PolarHBondContact O-N 3.41Å; V293-F296 WeakPolarHBondContact O-CB 3.49Å; V293-F296 PolarHBondContact O-N 3.02Å; V293-K297 PolarHBondContact O-N 3.14Å
294Y73Confident71Confident44 Ų4444.3 Ų44.317%0.17324%0.243CC..Hα-helixtrans-62.3-51178.4-180-104.8000112.5H284 R290 G291 F296 K297 I298 E783 L872H284-Y294 AromaticContact CE1-CG 3.86Å; R290-Y294 PolarHBondContact O-N 3.12Å; G291-Y294 PolarHBondContact O-N 3.32Å; Y294-F296 PolarHBondContact O-N 2.92Å; Y294-K297 VanDerWaalsContact O-CB 3.31Å; Y294-K297 WeakPolarHBondContact O-CB 3.47Å; Y294-K297 PolarHBondContact O-N 2.96Å; Y294-I298 HydrophobicContact CD1-CD1 4.24Å; Y294-I298 HydrophobicContact CE1-CD1 3.68Å; Y294-I298 PolarHBondContact O-N 3.42Å; Y294-I298 VanDerWaalsContact O-N 3.11Å; Y294-E783 VanDerWaalsContact CE2-OE1 3.31Å; Y294-E783 WeakPolarHBondContact CE2-OE1 3.47Å; Y294-E783 PolarHBondContact OH-OE1 3.47Å; Y294-L872 HydrophobicContact CE1-CD1 4.38Å
295Y75.4Confident72Confident12 Ų1243.4 Ų43.45%0.04724%0.239CC..Hα-helixtrans-68.5-21.5177.1-72.8-71000113.2N275 H278 F279 G291 I298 A299N275-Y295 HydrophobicContact CB-CD1 3.48Å; N275-Y295 VanDerWaalsContact CB-CD1 3.48Å; N275-Y295 HydrophobicContact CB-CD2 4.15Å; N275-Y295 HydrophobicContact CB-CE1 3.24Å; N275-Y295 HydrophobicContact CB-CE2 3.91Å; N275-Y295 HydrophobicContact CB-CG 3.93Å; N275-Y295 VanDerWaalsContact CB-CZ 3.44Å; N275-Y295 VanDerWaalsContact CG-CZ 3.5Å; N275-Y295 WeakPolarHBondContact ND2-CE1 3.38Å; N275-Y295 WeakPolarHBondContact OD1-CE1 3.49Å; N275-Y295 PolarHBondContact OD1-OH 2.85Å; N275-Y295 VanDerWaalsContact OD1-OH 3.11Å; H278-Y295 HydrophobicContact CB-CE2 4.2Å; H278-Y295 WeakPolarHBondContact CB-OH 3.15Å; F279-Y295 AromaticContact CD1-CD2 3.44Å; F279-Y295 HydrophobicContact CD1-CD2 3.44Å; F279-Y295 VanDerWaalsContact CD1-CD2 3.44Å; F279-Y295 AromaticContact CD1-CE2 3.75Å; F279-Y295 HydrophobicContact CD1-CE2 3.75Å; F279-Y295 HydrophobicContact CD1-CG 4.35Å; F279-Y295 AromaticContact CE1-CD2 3.18Å; F279-Y295 HydrophobicContact CE1-CD2 3.18Å; F279-Y295 AromaticContact CE1-CE2 3.85Å; F279-Y295 HydrophobicContact CE1-CE2 3.85Å; F279-Y295 AromaticContact CE1-CG 3.65Å; F279-Y295 HydrophobicContact CE1-CG 3.65Å; F279-Y295 HydrophobicContact CZ-CD2 4.2Å; F279-Y295 HydrophobicContact CZ-CG 4.42Å; G291-Y295 VanDerWaalsContact O-CD2 3.3Å; G291-Y295 WeakPolarHBondContact O-CD2 3.4Å; G291-Y295 PolarHBondContact O-N 2.76Å; G291-Y295 VanDerWaalsContact O-N 3.1Å; Y295-I298 HydrophobicContact CD1-CD1 3.85Å; Y295-I298 HydrophobicContact CE1-CD1 4.12Å; Y295-A299 PolarHBondContact O-N 3.14Å; Y295-A299 VanDerWaalsContact O-N 3.12Å
296F73.6Confident73.3Confident102 Ų10241 Ų4145%0.44721%0.213SC..Hα-helixtrans-73.9-35.9170.1-159.6-111.1000112.3I71 A292 V293 Y294 I298 A299 V300I71-F296 HydrophobicContact CB-CE1 4.17Å; I71-F296 HydrophobicContact CD1-CE1 3.43Å; I71-F296 VanDerWaalsContact CD1-CE1 3.43Å; I71-F296 HydrophobicContact CD1-CZ 3.52Å; I71-F296 HydrophobicContact CG1-CE1 3.72Å; I71-F296 HydrophobicContact CG1-CZ 4.22Å; I71-F296 HydrophobicContact CG2-CD1 3.64Å; I71-F296 HydrophobicContact CG2-CE1 3.35Å; I71-F296 HydrophobicContact CG2-CZ 4.49Å; A292-F296 WeakPolarHBondContact O-CB 3.12Å; A292-F296 PolarHBondContact O-N 3.12Å; V293-F296 WeakPolarHBondContact O-CB 3.49Å; V293-F296 PolarHBondContact O-N 3.02Å; Y294-F296 PolarHBondContact O-N 2.92Å; F296-I298 VanDerWaalsContact C-N 3.33Å; F296-A299 WeakPolarHBondContact O-CB 3.32Å; F296-A299 PolarHBondContact O-N 3.34Å; F296-A299 VanDerWaalsContact O-N 3.14Å; F296-V300 PolarHBondContact O-N 3.06Å
297K73.1Confident74.5Confident69 Ų6938.9 Ų38.930%0.319%0.189SC..Hα-helixtrans-60-41.9169.3-173.8-179.2177.5178.40111.3L75 V293 Y294 A299 V300 A301L75-K297 HydrophobicContact CD1-CB 4.22Å; V293-K297 PolarHBondContact O-N 3.14Å; Y294-K297 VanDerWaalsContact O-CB 3.31Å; Y294-K297 WeakPolarHBondContact O-CB 3.47Å; Y294-K297 PolarHBondContact O-N 2.96Å; K297-A299 VanDerWaalsContact C-N 3.31Å; K297-A299 PolarHBondContact O-N 3.04Å; K297-V300 WeakPolarHBondContact O-CB 2.9Å; K297-V300 PolarHBondContact O-N 3.27Å; K297-A301 PolarHBondContact O-N 2.65Å
298I76.8Confident75.3Confident12 Ų1237.4 Ų37.46%0.06218%0.179CC..Hα-helixtrans-61.1-40172.6-65.6175.5000111.3V271 Y294 Y295 F296 V300 A301 L302 I773 A777V271-I298 HydrophobicContact CG1-CG2 4.18Å; Y294-I298 HydrophobicContact CD1-CD1 4.24Å; Y294-I298 HydrophobicContact CE1-CD1 3.68Å; Y294-I298 PolarHBondContact O-N 3.42Å; Y294-I298 VanDerWaalsContact O-N 3.11Å; Y295-I298 HydrophobicContact CD1-CD1 3.85Å; Y295-I298 HydrophobicContact CE1-CD1 4.12Å; F296-I298 VanDerWaalsContact C-N 3.33Å; I298-V300 VanDerWaalsContact C-N 3.32Å; I298-V300 PolarHBondContact O-N 3.28Å; I298-A301 PolarHBondContact O-N 2.89Å; I298-L302 VanDerWaalsContact O-CB 3.26Å; I298-L302 WeakPolarHBondContact O-CB 3.36Å; I298-L302 PolarHBondContact O-N 2.84Å; I298-I773 HydrophobicContact CG2-CG2 4.11Å; I298-A777 HydrophobicContact CD1-CB 4.31Å; I298-A777 HydrophobicContact CG2-CB 3.98Å
299A75.6Confident75.6Confident22 Ų2231.4 Ų31.418%0.18216%0.157CC..Hα-helixtrans-64.6-35.7176.300000112.6Y295 F296 K297 A303Y295-A299 PolarHBondContact O-N 3.14Å; Y295-A299 VanDerWaalsContact O-N 3.12Å; F296-A299 WeakPolarHBondContact O-CB 3.32Å; F296-A299 PolarHBondContact O-N 3.34Å; F296-A299 VanDerWaalsContact O-N 3.14Å; K297-A299 VanDerWaalsContact C-N 3.31Å; K297-A299 PolarHBondContact O-N 3.04Å; A299-A303 WeakPolarHBondContact O-CB 3.3Å; A299-A303 PolarHBondContact O-N 3.46Å
300V73Confident76.2Confident8 Ų826 Ų265%0.04813%0.129CC..Hα-helixtrans-66-48.2172.3171.10000110.9A68 I71 F296 K297 I298 L302 A303 V304A68-V300 HydrophobicContact CB-CG1 4.01Å; I71-V300 HydrophobicContact CB-CG2 4.16Å; I71-V300 HydrophobicContact CD1-CG2 4.41Å; I71-V300 HydrophobicContact CG2-CG2 3.64Å; F296-V300 PolarHBondContact O-N 3.06Å; K297-V300 WeakPolarHBondContact O-CB 2.9Å; K297-V300 PolarHBondContact O-N 3.27Å; I298-V300 VanDerWaalsContact C-N 3.32Å; I298-V300 PolarHBondContact O-N 3.28Å; V300-L302 VanDerWaalsContact C-N 3.28Å; V300-L302 PolarHBondContact O-N 3.32Å; V300-A303 WeakPolarHBondContact O-CB 3.42Å; V300-A303 PolarHBondContact O-N 2.89Å; V300-A303 VanDerWaalsContact O-N 3.11Å; V300-V304 WeakPolarHBondContact O-CG2 3.49Å; V300-V304 PolarHBondContact O-N 3.43Å
301A74.6Confident77.1Confident5 Ų519.9 Ų19.94%0.04111%0.107CC..Hα-helixtrans-58.9-40.6177.100000112.1K297 I298 V304 A305 P787K297-A301 PolarHBondContact O-N 2.65Å; I298-A301 PolarHBondContact O-N 2.89Å; A301-V304 PolarHBondContact O-N 2.85Å; A301-A305 WeakPolarHBondContact O-CB 3.38Å; A301-A305 PolarHBondContact O-N 2.84Å; A301-P787 HydrophobicContact CB-CG 3.73Å
302L79.3Confident77.6Confident2 Ų223.1 Ų23.11%0.0113%0.128CC..Hα-helixtrans-65-39.9175.2-174.673.3000112.4I267 I298 V300 A305 A306 V770 I773I267-L302 HydrophobicContact CB-CD2 3.96Å; I267-L302 HydrophobicContact CG2-CD1 4.24Å; I267-L302 HydrophobicContact CG2-CD2 3.46Å; I267-L302 VanDerWaalsContact CG2-CD2 3.46Å; I267-L302 HydrophobicContact CG2-CG 4.42Å; I298-L302 VanDerWaalsContact O-CB 3.26Å; I298-L302 WeakPolarHBondContact O-CB 3.36Å; I298-L302 PolarHBondContact O-N 2.84Å; V300-L302 VanDerWaalsContact C-N 3.28Å; V300-L302 PolarHBondContact O-N 3.32Å; L302-A305 PolarHBondContact O-N 2.66Å; L302-A306 WeakPolarHBondContact O-CB 3.42Å; L302-A306 PolarHBondContact O-N 3.09Å; L302-A306 VanDerWaalsContact O-N 3.1Å; L302-V770 HydrophobicContact CD1-CB 4.46Å; L302-V770 HydrophobicContact CD1-CG1 4.03Å; L302-V770 HydrophobicContact CD1-CG2 4.42Å; L302-I773 HydrophobicContact CB-CG2 4.23Å; L302-I773 HydrophobicContact CD1-CB 4.15Å; L302-I773 HydrophobicContact CD1-CG2 4.03Å
303A77.9Confident78Confident9 Ų924 Ų247%0.07414%0.136CC..Hα-helixtrans-65-40.6177.500000111.5I64 I264 A299 V300 I307I64-A303 HydrophobicContact CG2-CB 4.1Å; I264-A303 HydrophobicContact CG2-CB 4.25Å; A299-A303 WeakPolarHBondContact O-CB 3.3Å; A299-A303 PolarHBondContact O-N 3.46Å; V300-A303 WeakPolarHBondContact O-CB 3.42Å; V300-A303 PolarHBondContact O-N 2.89Å; V300-A303 VanDerWaalsContact O-N 3.11Å; A303-I307 WeakPolarHBondContact O-CD1 3.47Å; A303-I307 VanDerWaalsContact O-CG1 3.31Å; A303-I307 WeakPolarHBondContact O-CG1 3.45Å
304V75.9Confident78.8Confident0 Ų021.1 Ų21.10%012%0.118CC..Hα-helixtrans-64.7-51.2173.5173.50000110.6L65 I94 V300 A301 A306 I307 L791L65-V304 HydrophobicContact CD2-CG2 4.38Å; I94-V304 HydrophobicContact CD1-CG2 4.31Å; V300-V304 WeakPolarHBondContact O-CG2 3.49Å; V300-V304 PolarHBondContact O-N 3.43Å; A301-V304 PolarHBondContact O-N 2.85Å; V304-A306 PolarHBondContact O-N 3.46Å; V304-I307 PolarHBondContact O-N 2.78Å; V304-I307 VanDerWaalsContact O-N 3.13Å; V304-L791 HydrophobicContact CG1-CD1 4.39Å; V304-L791 HydrophobicContact CG1-CD2 3.61Å; V304-L791 HydrophobicContact CG1-CG 3.71Å
305A80.7Confident79.4Confident0 Ų019.9 Ų19.90%011%0.114CC..Hα-helixtrans-54.2-32.2178.800000114A301 L302 N766 E769 V770 I773 L790A301-A305 WeakPolarHBondContact O-CB 3.38Å; A301-A305 PolarHBondContact O-N 2.84Å; L302-A305 PolarHBondContact O-N 2.66Å; A305-N766 PolarHBondContact O-ND2 2.9Å; A305-E769 HydrophobicContact CB-CB 4Å; A305-V770 HydrophobicContact CB-CG2 4.38Å; A305-I773 HydrophobicContact CB-CG1 4.39Å; A305-L790 HydrophobicContact CB-CD1 3.72Å
306A81.6Confident79.9Confident6 Ų620.6 Ų20.65%0.0512%0.12CC..Hα-helixtrans-82.6-23.4-175.400000113.8L260 I264 L302 V304 V770L260-A306 HydrophobicContact CD1-CB 4.45Å; L260-A306 WeakPolarHBondContact CD2-O 3.46Å; I264-A306 HydrophobicContact CD1-CB 3.48Å; I264-A306 VanDerWaalsContact CD1-CB 3.48Å; I264-A306 HydrophobicContact CG1-CB 3.4Å; L302-A306 WeakPolarHBondContact O-CB 3.42Å; L302-A306 PolarHBondContact O-N 3.09Å; L302-A306 VanDerWaalsContact O-N 3.1Å; V304-A306 PolarHBondContact O-N 3.46Å; A306-V770 HydrophobicContact CB-CG2 3.65Å
307I82.6Confident80.4Confident7 Ų718.7 Ų18.74%0.03612%0.117CC..SBendtrans-94.7124.7-171.9-63.8171000109L61 I64 L65 I264 A303 V304 E309 N766L61-I307 HydrophobicContact CD2-CG1 4.45Å; I64-I307 HydrophobicContact CB-CD1 4.49Å; I64-I307 HydrophobicContact CG2-CD1 4.11Å; L65-I307 HydrophobicContact CD1-CD1 4.22Å; L65-I307 HydrophobicContact CD1-CG2 3.96Å; L65-I307 HydrophobicContact CD2-CD1 4.02Å; L65-I307 HydrophobicContact CG-CD1 3.66Å; I264-I307 HydrophobicContact CD1-CD1 4.49Å; I264-I307 HydrophobicContact CD1-CG1 4.01Å; A303-I307 WeakPolarHBondContact O-CD1 3.47Å; A303-I307 VanDerWaalsContact O-CG1 3.31Å; A303-I307 WeakPolarHBondContact O-CG1 3.45Å; V304-I307 PolarHBondContact O-N 2.78Å; V304-I307 VanDerWaalsContact O-N 3.13Å; I307-E309 HydrophobicContact CG2-CG 4.25Å; I307-E309 PolarHBondContact O-N 2.57Å; I307-N766 PolarHBondContact O-ND2 3.32Å
308P81.9Confident81.1Confident13 Ų1315.6 Ų15.68%0.08410%0.104CC..  trans-81.882.4178.332.4-35000110.6F256 G310 L311F256-P308 HydrophobicContact CE1-CG 4.44Å; P308-G310 VanDerWaalsContact C-N 3.27Å; P308-G310 PolarHBondContact O-N 2.87Å; P308-L311 HydrophobicContact CB-CB 4.06Å; P308-L311 HydrophobicContact CG-CB 4.23Å; P308-L311 HydrophobicContact CG-CD2 4.13Å; P308-L311 VanDerWaalsContact O-CB 3.24Å; P308-L311 WeakPolarHBondContact O-CB 3.28Å; P308-L311 PolarHBondContact O-N 2.81Å
309E80.9Confident81.6Confident5 Ų515.4 Ų15.42%0.02310%0.103CC..THydrogen-bonded Turntrans-66.5-27.9-171.6-54.390.4165.400113.6L65 I97 I307 L311 P312 L791 N794L65-E309 HydrophobicContact CD1-CG 4.17Å; I97-E309 HydrophobicContact CG2-CB 4.3Å; I307-E309 HydrophobicContact CG2-CG 4.25Å; I307-E309 PolarHBondContact O-N 2.57Å; E309-L311 PolarHBondContact O-N 3.01Å; E309-P312 WeakPolarHBondContact O-CD 3.49Å; E309-L791 HydrophobicContact CG-CD2 4.31Å; E309-L791 WeakPolarHBondContact OE1-CD2 3.39Å; E309-N794 WeakPolarHBondContact OE2-CB 3.25Å
310G80.8Confident82.1Confident3 Ų316.5 Ų16.53%0.03111%0.112CC..THydrogen-bonded Turntrans-72.1-14.6175.700000113.9P308 A313 V314P308-G310 VanDerWaalsContact C-N 3.27Å; P308-G310 PolarHBondContact O-N 2.87Å; G310-A313 PolarHBondContact O-N 2.89Å; G310-V314 WeakPolarHBondContact O-CG2 3.22Å; G310-V314 PolarHBondContact O-N 3.35Å
311L84.9Confident82.6Confident11 Ų1118.5 Ų18.56%0.05812%0.122CC..Hα-helixtrans-62.4-47.5-170-179.964.7000113.9L253 P308 E309 A313 V314 I315 F758 I759 L762L253-L311 HydrophobicContact CD2-CD2 4.06Å; P308-L311 HydrophobicContact CB-CB 4.06Å; P308-L311 HydrophobicContact CG-CB 4.23Å; P308-L311 HydrophobicContact CG-CD2 4.13Å; P308-L311 VanDerWaalsContact O-CB 3.24Å; P308-L311 WeakPolarHBondContact O-CB 3.28Å; P308-L311 PolarHBondContact O-N 2.81Å; E309-L311 PolarHBondContact O-N 3.01Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 3.02Å; L311-V314 PolarHBondContact O-N 3.34Å; L311-I315 HydrophobicContact CD1-CD1 3.81Å; L311-I315 HydrophobicContact CD1-CG1 3.92Å; L311-I315 HydrophobicContact CD2-CD1 4.39Å; L311-I315 HydrophobicContact CG-CD1 3.78Å; L311-I315 HydrophobicContact CG-CG1 4.3Å; L311-I315 WeakPolarHBondContact O-CG1 3.21Å; L311-I315 PolarHBondContact O-N 3.04Å; L311-F758 HydrophobicContact CD1-CD2 4.36Å; L311-F758 HydrophobicContact CD1-CE2 4.05Å; L311-I759 HydrophobicContact CD1-CG1 3.71Å; L311-L762 HydrophobicContact CB-CD1 4.24Å; L311-L762 HydrophobicContact CD1-CD1 3.83Å
312P81.3Confident83.1Confident67 Ų6718.3 Ų18.344%0.43512%0.12SC..Hα-helixtrans-59.7-37.7178.2-24.535.6000113E309 T316E309-P312 WeakPolarHBondContact O-CD 3.49Å; P312-T316 VanDerWaalsContact O-CB 3.31Å; P312-T316 WeakPolarHBondContact O-CB 3.12Å; P312-T316 PolarHBondContact O-N 3.03Å; P312-T316 PolarHBondContact O-OG1 3.16Å
313A83.2Confident83.4Confident43 Ų4319.3 Ų19.336%0.35513%0.126SC..Hα-helixtrans-67.6-45.4178.600000111.9G310 L311 T316 T317G310-A313 PolarHBondContact O-N 2.89Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 3.02Å; A313-T316 PolarHBondContact O-N 3.43Å; A313-T317 WeakPolarHBondContact O-CB 3.47Å; A313-T317 PolarHBondContact O-N 2.94Å; A313-T317 PolarHBondContact O-OG1 2.93Å
314V88.4Confident83.7Confident4 Ų427 Ų272%0.02415%0.153CC..Hα-helixtrans-63.9-45.71781760000111G310 L311 T316 T317 C318 F758 L762 A802G310-V314 WeakPolarHBondContact O-CG2 3.22Å; G310-V314 PolarHBondContact O-N 3.35Å; L311-V314 PolarHBondContact O-N 3.34Å; V314-T316 PolarHBondContact O-N 2.94Å; V314-T317 PolarHBondContact O-N 3.27Å; V314-C318 WeakPolarHBondContact O-CB 3.41Å; V314-C318 PolarHBondContact O-N 3.25Å; V314-F758 HydrophobicContact CB-CE2 4.46Å; V314-F758 HydrophobicContact CG1-CD1 4.35Å; V314-F758 HydrophobicContact CG1-CD2 3.69Å; V314-F758 HydrophobicContact CG1-CE1 4.27Å; V314-F758 HydrophobicContact CG1-CE2 3.7Å; V314-F758 HydrophobicContact CG1-CG 4.08Å; V314-F758 HydrophobicContact CG1-CZ 4Å; V314-L762 HydrophobicContact CG2-CD1 4.48Å; V314-A802 HydrophobicContact CG1-CB 3.92Å; V314-A802 HydrophobicContact CG2-CB 4.07Å
315I87Confident84.1Confident17 Ų1730.6 Ų30.69%0.08717%0.167CC..Hα-helixtrans-57.2-50.8175.4-70.4175.2000110L253 L311 T317 C318 L319 M755 F758L253-I315 HydrophobicContact CD1-CD1 3.76Å; L253-I315 HydrophobicContact CD2-CD1 4.31Å; L311-I315 HydrophobicContact CD1-CD1 3.81Å; L311-I315 HydrophobicContact CD1-CG1 3.92Å; L311-I315 HydrophobicContact CD2-CD1 4.39Å; L311-I315 HydrophobicContact CG-CD1 3.78Å; L311-I315 HydrophobicContact CG-CG1 4.3Å; L311-I315 WeakPolarHBondContact O-CG1 3.21Å; L311-I315 PolarHBondContact O-N 3.04Å; I315-T317 VanDerWaalsContact C-N 3.33Å; I315-T317 PolarHBondContact O-N 3.02Å; I315-C318 PolarHBondContact O-N 3.13Å; I315-L319 HydrophobicContact CG2-CD1 3.6Å; I315-L319 HydrophobicContact CG2-CG 4.15Å; I315-L319 WeakPolarHBondContact O-CB 3.4Å; I315-L319 VanDerWaalsContact O-CG 3.28Å; I315-L319 WeakPolarHBondContact O-CG 3.43Å; I315-L319 PolarHBondContact O-N 2.96Å; I315-M755 HydrophobicContact CB-CE 4.38Å; I315-M755 HydrophobicContact CD1-CE 4.49Å; I315-M755 HydrophobicContact CG1-CE 4.06Å; I315-M755 HydrophobicContact CG2-CE 3.72Å; I315-F758 HydrophobicContact CG1-CE2 3.75Å; I315-F758 HydrophobicContact CG1-CZ 3.94Å
316T84.1Confident84.5Confident28 Ų2830.6 Ų30.617%0.17217%0.167CC..Hα-helixtrans-58.1-45.7-179.2-62.70000111.6Q108 P312 A313 V314 L319 A320 L336Q108-T316 PolarHBondContact NE2-OG1 3.33Å; P312-T316 VanDerWaalsContact O-CB 3.31Å; P312-T316 WeakPolarHBondContact O-CB 3.12Å; P312-T316 PolarHBondContact O-N 3.03Å; P312-T316 PolarHBondContact O-OG1 3.16Å; A313-T316 PolarHBondContact O-N 3.43Å; V314-T316 PolarHBondContact O-N 2.94Å; T316-L319 PolarHBondContact O-N 2.76Å; T316-A320 VanDerWaalsContact O-CB 3.27Å; T316-A320 WeakPolarHBondContact O-CB 3.32Å; T316-A320 PolarHBondContact O-N 3.33Å; T316-L336 HydrophobicContact CG2-CD1 4.32Å
317T85.9Confident84.7Confident62 Ų6232.4 Ų32.438%0.3818%0.182SC..Hα-helixtrans-66.3-43179.9-64.70000111.3A313 V314 I315 A320 L321 T803A313-T317 WeakPolarHBondContact O-CB 3.47Å; A313-T317 PolarHBondContact O-N 2.94Å; A313-T317 PolarHBondContact O-OG1 2.93Å; V314-T317 PolarHBondContact O-N 3.27Å; I315-T317 VanDerWaalsContact C-N 3.33Å; I315-T317 PolarHBondContact O-N 3.02Å; T317-A320 PolarHBondContact O-N 3.21Å; T317-L321 HydrophobicContact CG2-CD1 3.84Å; T317-L321 WeakPolarHBondContact O-CB 3.48Å; T317-L321 WeakPolarHBondContact O-CD1 3.48Å; T317-L321 VanDerWaalsContact O-CG 3.22Å; T317-L321 WeakPolarHBondContact O-CG 3.3Å; T317-L321 PolarHBondContact O-N 3.26Å; T317-T803 HydrophobicContact CG2-CG2 3.71Å
318C87.4Confident84.9Confident3 Ų340 Ų402%0.0222%0.215CC..Hα-helixtrans-61.1-47.2176.5-172.90000111.9V314 I315 L321 G322 F758V314-C318 WeakPolarHBondContact O-CB 3.41Å; V314-C318 PolarHBondContact O-N 3.25Å; I315-C318 PolarHBondContact O-N 3.13Å; C318-L321 PolarHBondContact O-N 3.4Å; C318-G322 PolarHBondContact O-N 3.4Å; C318-F758 HydrophobicContact CB-CE1 3.84Å; C318-F758 HydrophobicContact CB-CZ 4.2Å
319L87.4Confident85.2Confident8 Ų843.2 Ų43.24%0.04223%0.228CC..Hα-helixtrans-63-44.3177.5-66.9174.4000111.4I315 T316 L321 G322 T323 L336 V339 I751 M755I315-L319 HydrophobicContact CG2-CD1 3.6Å; I315-L319 HydrophobicContact CG2-CG 4.15Å; I315-L319 WeakPolarHBondContact O-CB 3.4Å; I315-L319 VanDerWaalsContact O-CG 3.28Å; I315-L319 WeakPolarHBondContact O-CG 3.43Å; I315-L319 PolarHBondContact O-N 2.96Å; T316-L319 PolarHBondContact O-N 2.76Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 3.49Å; L319-G322 CarbonylContact O-C 3.59Å; L319-G322 WeakPolarHBondContact O-CA 3.43Å; L319-G322 PolarHBondContact O-N 2.94Å; L319-G322 VanDerWaalsContact O-N 3.12Å; L319-T323 PolarHBondContact O-N 3.23Å; L319-T323 PolarHBondContact O-OG1 2.86Å; L319-T323 VanDerWaalsContact O-OG1 3.12Å; L319-L336 HydrophobicContact CB-CB 4.1Å; L319-L336 HydrophobicContact CD1-CB 4.27Å; L319-V339 HydrophobicContact CD2-CB 4.02Å; L319-V339 HydrophobicContact CD2-CG1 4.21Å; L319-I751 HydrophobicContact CD2-CG2 4.22Å; L319-M755 HydrophobicContact CD2-CE 4.4Å; L319-M755 HydrophobicContact CD2-SD 3.69Å; L319-M755 HydrophobicContact CG-SD 4.3Å
320A85Confident85.6Confident45 Ų4546.3 Ų46.337%0.37224%0.244SC..Hα-helixtrans-61.2-40.2178.100000112.6T316 T317 T323 R324 L336T316-A320 VanDerWaalsContact O-CB 3.27Å; T316-A320 WeakPolarHBondContact O-CB 3.32Å; T316-A320 PolarHBondContact O-N 3.33Å; T317-A320 PolarHBondContact O-N 3.21Å; A320-T323 PolarHBondContact O-N 3.1Å; A320-R324 PolarHBondContact O-N 3.47Å; A320-R324 VanDerWaalsContact O-N 3.07Å; A320-L336 HydrophobicContact CB-CD2 4.47Å
321L83.8Confident86.1Confident51 Ų5146.2 Ų46.227%0.26724%0.243SC..Hα-helixtrans-68.4-38.3174.2-70.3162.6000111.9T317 C318 L319 R324 R325 F807T317-L321 HydrophobicContact CG2-CD1 3.84Å; T317-L321 WeakPolarHBondContact O-CB 3.48Å; T317-L321 WeakPolarHBondContact O-CD1 3.48Å; T317-L321 VanDerWaalsContact O-CG 3.22Å; T317-L321 WeakPolarHBondContact O-CG 3.3Å; T317-L321 PolarHBondContact O-N 3.26Å; C318-L321 PolarHBondContact O-N 3.4Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 3.49Å; L321-R324 PolarHBondContact O-N 3.14Å; L321-R325 PolarHBondContact O-N 3.4Å; L321-F807 HydrophobicContact CD1-CE1 3.97Å; L321-F807 HydrophobicContact CD1-CE2 3.81Å; L321-F807 HydrophobicContact CD1-CZ 3.25Å; L321-F807 HydrophobicContact CD2-CE1 4.46Å; L321-F807 HydrophobicContact CD2-CZ 4.2Å; L321-F807 HydrophobicContact CG-CZ 4.26Å
322G85.6Confident86.4Confident0 Ų049.6 Ų49.60%026%0.26CS..Hα-helixtrans-56.2-51.5170.600000112.3C318 L319 R324 R325 M326 I751C318-G322 PolarHBondContact O-N 3.4Å; L319-G322 CarbonylContact O-C 3.59Å; L319-G322 WeakPolarHBondContact O-CA 3.43Å; L319-G322 PolarHBondContact O-N 2.94Å; L319-G322 VanDerWaalsContact O-N 3.12Å; G322-R324 VanDerWaalsContact C-N 3.27Å; G322-R324 PolarHBondContact O-N 3.14Å; G322-R325 WeakPolarHBondContact O-CA 3.33Å; G322-R325 WeakPolarHBondContact O-CB 3.32Å; G322-R325 PolarHBondContact O-N 3.03Å; G322-M326 PolarHBondContact O-N 3.49Å; G322-I751 VanDerWaalsContact CA-CD1 3.45Å
323T84.9Confident86.7Confident23 Ų2347 Ų4714%0.14124%0.243CC..Hα-helixtrans-55.6-41.3174.6-61.40000111.7L319 A320 R325 M326 A327 V333 L336 V339L319-T323 PolarHBondContact O-N 3.23Å; L319-T323 PolarHBondContact O-OG1 2.86Å; L319-T323 VanDerWaalsContact O-OG1 3.12Å; A320-T323 PolarHBondContact O-N 3.1Å; T323-R325 VanDerWaalsContact C-N 3.35Å; T323-R325 PolarHBondContact O-N 2.88Å; T323-M326 PolarHBondContact O-N 3.41Å; T323-A327 WeakPolarHBondContact O-CB 3.41Å; T323-A327 PolarHBondContact O-N 3.05Å; T323-V333 HydrophobicContact CG2-CB 3.92Å; T323-L336 WeakPolarHBondContact OG1-CD2 3.22Å; T323-V339 WeakPolarHBondContact OG1-CG2 3.48Å
324R83.6Confident86.8Confident170 Ų17049.6 Ų49.664%0.64224%0.244SC*.Hα-helixtrans-65.3-35.3175.9-170.4179178.1-169.70.5112.7A320 L321 G322 K328A320-R324 PolarHBondContact O-N 3.47Å; A320-R324 VanDerWaalsContact O-N 3.07Å; L321-R324 PolarHBondContact O-N 3.14Å; G322-R324 VanDerWaalsContact C-N 3.27Å; G322-R324 PolarHBondContact O-N 3.14Å; R324-K328 PolarHBondContact O-N 2.98Å
325R85Confident86.4Confident76 Ų7651.4 Ų51.429%0.28726%0.257SS..Hα-helixtrans-69.4-43.7174.1-74.6-171.2-76.7168.4-11.3111.5L321 G322 T323 A327 K328 K329 E747L321-R325 PolarHBondContact O-N 3.4Å; G322-R325 WeakPolarHBondContact O-CA 3.33Å; G322-R325 WeakPolarHBondContact O-CB 3.32Å; G322-R325 PolarHBondContact O-N 3.03Å; T323-R325 VanDerWaalsContact C-N 3.35Å; T323-R325 PolarHBondContact O-N 2.88Å; R325-A327 VanDerWaalsContact C-N 3.34Å; R325-A327 PolarHBondContact O-N 3.21Å; R325-K328 WeakPolarHBondContact O-CB 3.43Å; R325-K328 PolarHBondContact O-N 3Å; R325-K329 PolarHBondContact O-N 3.14Å; R325-E747 WeakPolarHBondContact CD-OE1 3.31Å; R325-E747 IonicContact CZ-OE1 3.25Å; R325-E747 IonicContact NE-OE1 3.22Å; R325-E747 PolarHBondContact NE-OE1 3.39Å; R325-E747 IonicContact NH1-OE1 2.67Å; R325-E747 PolarHBondContact NH1-OE1 2.85Å; R325-E747 IonicContact NH2-OE1 3.64Å
326M88.9Confident86.1Confident1 Ų152.8 Ų52.81%0.00526%0.264CS..Hα-helixtrans-61.4-41.4175-70.6-178.9172.800111.9G322 T323 K328 K329 N330 A331 V333 V339 L342 A744 E747 I751G322-M326 PolarHBondContact O-N 3.49Å; T323-M326 PolarHBondContact O-N 3.41Å; M326-K328 VanDerWaalsContact C-N 3.27Å; M326-K328 PolarHBondContact O-N 3.36Å; M326-K329 CarbonylContact O-C 3.54Å; M326-K329 VanDerWaalsContact O-C 3.24Å; M326-K329 VanDerWaalsContact O-CA 3.28Å; M326-K329 WeakPolarHBondContact O-CA 3.5Å; M326-K329 WeakPolarHBondContact O-CB 3.36Å; M326-K329 PolarHBondContact O-N 2.71Å; M326-N330 PolarHBondContact O-N 2.9Å; M326-A331 CarbonylContact C-O 3.56Å; M326-A331 HydrophobicContact CB-CB 4.11Å; M326-A331 WeakPolarHBondContact CB-O 3.36Å; M326-A331 PolarHBondContact O-N 2.77Å; M326-V333 HydrophobicContact CB-CG2 4.37Å; M326-V333 HydrophobicContact SD-CG2 3.57Å; M326-V333 VanDerWaalsContact SD-CG2 3.57Å; M326-V339 HydrophobicContact CE-CB 4.33Å; M326-V339 HydrophobicContact CE-CG1 3.59Å; M326-V339 HydrophobicContact SD-CB 4.48Å; M326-V339 HydrophobicContact SD-CG1 4.08Å; M326-V339 HydrophobicContact SD-CG2 4.11Å; M326-L342 HydrophobicContact CE-CD1 4.3Å; M326-L342 HydrophobicContact SD-CD1 4.35Å; M326-A744 WeakPolarHBondContact CE-O 3.38Å; M326-E747 HydrophobicContact CE-CB 3.77Å; M326-E747 HydrophobicContact CE-CG 3.96Å; M326-E747 HydrophobicContact CG-CB 4.22Å; M326-E747 HydrophobicContact CG-CG 3.91Å; M326-I751 HydrophobicContact CE-CD1 4.17Å
327A86.7Confident86.1Confident44 Ų4452.8 Ų52.836%0.36426%0.264SS..Hα-helixtrans-61.3-34.4177.800000112.6T323 R325 K329 N330 A331T323-A327 WeakPolarHBondContact O-CB 3.41Å; T323-A327 PolarHBondContact O-N 3.05Å; R325-A327 VanDerWaalsContact C-N 3.34Å; R325-A327 PolarHBondContact O-N 3.21Å; A327-K329 PolarHBondContact O-N 2.69Å; A327-N330 PolarHBondContact O-N 3.26Å; A327-N330 VanDerWaalsContact O-N 3.13Å; A327-A331 VanDerWaalsContact CA-O 3.31Å; A327-A331 WeakPolarHBondContact CA-O 3.41Å; A327-A331 PolarHBondContact N-O 3.21Å; A327-A331 VanDerWaalsContact N-O 3.09Å
328K87.1Confident86.2Confident167 Ų16750 Ų5073%0.72625%0.248SC*.Hα-helixtrans-67.5-21.7172.4-70.5-178.9179.2-177.60113.3R324 R325 M326 N330R324-K328 PolarHBondContact O-N 2.98Å; R325-K328 WeakPolarHBondContact O-CB 3.43Å; R325-K328 PolarHBondContact O-N 3Å; M326-K328 VanDerWaalsContact C-N 3.27Å; M326-K328 PolarHBondContact O-N 3.36Å; K328-N330 VanDerWaalsContact C-N 3.33Å
329K87.1Confident86.2Confident80 Ų8049.9 Ų49.935%0.34825%0.247SC..THydrogen-bonded Turntrans-97.925.7172.9-62.7176.4170.8176.50111.4R325 M326 A327 A331 A743 E747R325-K329 PolarHBondContact O-N 3.14Å; M326-K329 CarbonylContact O-C 3.54Å; M326-K329 VanDerWaalsContact O-C 3.24Å; M326-K329 VanDerWaalsContact O-CA 3.28Å; M326-K329 WeakPolarHBondContact O-CA 3.5Å; M326-K329 WeakPolarHBondContact O-CB 3.36Å; M326-K329 PolarHBondContact O-N 2.71Å; A327-K329 PolarHBondContact O-N 2.69Å; K329-A331 PolarHBondContact O-N 2.89Å; K329-A331 VanDerWaalsContact O-N 3.15Å; K329-A743 HydrophobicContact CD-CB 4.28Å; K329-E747 IonicContact NZ-OE2 2.97Å; K329-E747 PolarHBondContact NZ-OE2 3.48Å
330N90Very high86.2Confident70 Ų7049.5 Ų49.537%0.37425%0.245SC..THydrogen-bonded Turntrans62.613.8178.9-53.3-37.6000115.9M326 A327 K328 L733 A734 D735M326-N330 PolarHBondContact O-N 2.9Å; A327-N330 PolarHBondContact O-N 3.26Å; A327-N330 VanDerWaalsContact O-N 3.13Å; K328-N330 VanDerWaalsContact C-N 3.33Å; N330-L733 CarbonylContact O-C 3.24Å; N330-A734 HydrophobicContact CB-CB 4.2Å; N330-A734 PolarHBondContact O-N 3.2Å; N330-D735 HydrophobicContact CB-CB 3.95Å; N330-D735 VanDerWaalsContact CB-CG 3.42Å; N330-D735 WeakPolarHBondContact CB-OD2 3.31Å; N330-D735 PolarHBondContact ND2-OD2 3.44Å
331A91.9Very high86.4Confident1 Ų147.4 Ų47.41%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-103.7102.4175.700000110.2M326 A327 K329 V333 M731 A744M326-A331 CarbonylContact C-O 3.56Å; M326-A331 HydrophobicContact CB-CB 4.11Å; M326-A331 WeakPolarHBondContact CB-O 3.36Å; M326-A331 PolarHBondContact O-N 2.77Å; A327-A331 VanDerWaalsContact CA-O 3.31Å; A327-A331 WeakPolarHBondContact CA-O 3.41Å; A327-A331 PolarHBondContact N-O 3.21Å; A327-A331 VanDerWaalsContact N-O 3.09Å; K329-A331 PolarHBondContact O-N 2.89Å; K329-A331 VanDerWaalsContact O-N 3.15Å; A331-V333 PolarHBondContact O-N 3.05Å; A331-M731 HydrophobicContact CB-SD 3.8Å; A331-A744 HydrophobicContact CB-CB 4.06Å
332I90.3Very high86.7Confident81 Ų8145 Ų4542%0.41522%0.215SC..EExtended strand (participates in β ladder)trans-89.3105.7-179.7-55.6174.1000108.6M731 V732 A734I332-M731 CarbonylContact O-C 3.06Å; I332-M731 WeakPolarHBondContact O-CA 3.29Å; I332-V732 HydrophobicContact CB-CB 4.31Å; I332-V732 WeakPolarHBondContact CB-O 3.47Å; I332-V732 PolarHBondContact N-O 2.9Å; I332-V732 PolarHBondContact O-N 3.34Å; I332-A734 HydrophobicContact CD1-CB 3.96Å; I332-A734 HydrophobicContact CG1-CB 4.3Å
333V87.9Confident86.9Confident12 Ų1245.2 Ų45.27%0.07322%0.217CC..EExtended strand (participates in β ladder)trans-87126.2177.1-174.60000110.1T323 M326 A331 S335 V339 M731T323-V333 HydrophobicContact CG2-CB 3.92Å; M326-V333 HydrophobicContact CB-CG2 4.37Å; M326-V333 HydrophobicContact SD-CG2 3.57Å; M326-V333 VanDerWaalsContact SD-CG2 3.57Å; A331-V333 PolarHBondContact O-N 3.05Å; V333-S335 WeakPolarHBondContact CG1-O 3.39Å; V333-V339 HydrophobicContact CB-CG2 4.23Å; V333-V339 HydrophobicContact CG1-CG2 3.82Å; V333-V339 HydrophobicContact CG2-CG2 4.14Å; V333-M731 HydrophobicContact CG2-CG 4.32Å; V333-M731 HydrophobicContact CG2-SD 4.42Å
334R84.4Confident87.2Confident98 Ų9844.2 Ų44.237%0.3721%0.211SC..SBendtrans-89-35.7178.5-67.2-176.756.6139.14.3112.4K726 S729 E730 V732R334-K726 WeakPolarHBondContact CD-O 3.44Å; R334-K726 PolarHBondContact NE-O 3.5Å; R334-K726 VanDerWaalsContact NH1-C 3.35Å; R334-K726 PolarHBondContact NH1-O 3.43Å; R334-S729 WeakPolarHBondContact CD-O 3.21Å; R334-E730 PolarHBondContact N-O 2.76Å; R334-V732 HydrophobicContact CG-CG2 4.42Å
335S80Confident87.8Confident43 Ų4336.1 Ų36.130%0.30118%0.18SC..SBendtrans-111.8117.6179.9179.10000110.5V333 P337 S338V333-S335 WeakPolarHBondContact CG1-O 3.39Å; S335-P337 WeakPolarHBondContact OG-CD 3.45Å; S335-S338 WeakPolarHBondContact CB-OG 3.34Å; S335-S338 WeakPolarHBondContact O-CB 3.18Å; S335-S338 PolarHBondContact O-N 3.26Å; S335-S338 VanDerWaalsContact O-N 3.12Å; S335-S338 PolarHBondContact O-OG 3.47Å; S335-S338 PolarHBondContact OG-OG 2.85Å
336L82.1Confident88.3Confident46 Ų4633.1 Ų33.124%0.24117%0.171CC..THydrogen-bonded Turntrans-57-43.8-176-65.2-179.7000113.3T316 L319 A320 T323 S338 V339T316-L336 HydrophobicContact CG2-CD1 4.32Å; L319-L336 HydrophobicContact CB-CB 4.1Å; L319-L336 HydrophobicContact CD1-CB 4.27Å; A320-L336 HydrophobicContact CB-CD2 4.47Å; T323-L336 WeakPolarHBondContact OG1-CD2 3.22Å; L336-S338 PolarHBondContact O-N 2.82Å; L336-V339 WeakPolarHBondContact O-CB 3.27Å; L336-V339 WeakPolarHBondContact O-CG2 3.46Å; L336-V339 PolarHBondContact O-N 2.95Å
337P83.6Confident88.7Confident27 Ų2733.1 Ų33.118%0.17517%0.171CC..THydrogen-bonded Turntrans-58.6-28.5177.4-27.637.3000114.5T247 S335 V339 E340T247-P337 HydrophobicContact CG2-CB 3.55Å; S335-P337 WeakPolarHBondContact OG-CD 3.45Å; P337-V339 PolarHBondContact O-N 2.84Å; P337-E340 PolarHBondContact O-N 2.81Å; P337-E340 VanDerWaalsContact O-N 3.1Å
338S87Confident89.2Confident4 Ų431 Ų313%0.02815%0.153CC..Hα-helixtrans-67.5-20.3-176.4-50.80000113.6S335 L336 E340 T341 L342 E730S335-S338 WeakPolarHBondContact CB-OG 3.34Å; S335-S338 WeakPolarHBondContact O-CB 3.18Å; S335-S338 PolarHBondContact O-N 3.26Å; S335-S338 VanDerWaalsContact O-N 3.12Å; S335-S338 PolarHBondContact O-OG 3.47Å; S335-S338 PolarHBondContact OG-OG 2.85Å; L336-S338 PolarHBondContact O-N 2.82Å; S338-E340 PolarHBondContact O-N 2.66Å; S338-T341 PolarHBondContact O-N 3.13Å; S338-L342 WeakPolarHBondContact O-CB 3.39Å; S338-L342 WeakPolarHBondContact O-CG 3.3Å; S338-L342 PolarHBondContact O-N 3.41Å; S338-E730 VanDerWaalsContact OG-CB 3.31Å; S338-E730 WeakPolarHBondContact OG-CB 3.31Å; S338-E730 WeakPolarHBondContact OG-CG 3.27Å
339V87.6Confident89.6Confident0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-56.2-40.6171.1175.30000111.1L319 T323 M326 V333 L336 P337 G748 I751L319-V339 HydrophobicContact CD2-CB 4.02Å; L319-V339 HydrophobicContact CD2-CG1 4.21Å; T323-V339 WeakPolarHBondContact OG1-CG2 3.48Å; M326-V339 HydrophobicContact CE-CB 4.33Å; M326-V339 HydrophobicContact CE-CG1 3.59Å; M326-V339 HydrophobicContact SD-CB 4.48Å; M326-V339 HydrophobicContact SD-CG1 4.08Å; M326-V339 HydrophobicContact SD-CG2 4.11Å; V333-V339 HydrophobicContact CB-CG2 4.23Å; V333-V339 HydrophobicContact CG1-CG2 3.82Å; V333-V339 HydrophobicContact CG2-CG2 4.14Å; L336-V339 WeakPolarHBondContact O-CB 3.27Å; L336-V339 WeakPolarHBondContact O-CG2 3.46Å; L336-V339 PolarHBondContact O-N 2.95Å; P337-V339 PolarHBondContact O-N 2.84Å; V339-G748 WeakPolarHBondContact O-CA 3.49Å; V339-I751 HydrophobicContact CG1-CB 4.32Å; V339-I751 HydrophobicContact CG1-CD1 3.28Å; V339-I751 HydrophobicContact CG1-CG1 4.38Å; V339-I751 HydrophobicContact CG1-CG2 4.06Å
340E87.9Confident89.8Confident0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-73.8-45.7177.8177.8-88.8167.500111.3L249 P337 S338 L342 G343 Y752 R820L249-E340 HydrophobicContact CB-CG 4.02Å; L249-E340 HydrophobicContact CD2-CG 4.25Å; P337-E340 PolarHBondContact O-N 2.81Å; P337-E340 VanDerWaalsContact O-N 3.1Å; S338-E340 PolarHBondContact O-N 2.66Å; E340-L342 PolarHBondContact O-N 2.82Å; E340-G343 PolarHBondContact O-N 2.97Å; E340-Y752 HydrophobicContact CG-CD2 3.61Å; E340-Y752 HydrophobicContact CG-CE2 4.4Å; E340-Y752 HydrophobicContact CG-CG 4.47Å; E340-Y752 WeakPolarHBondContact OE1-CD2 3.4Å; E340-R820 IonicContact OE1-NH2 3.06Å; E340-R820 PolarHBondContact OE1-NH2 3.28Å
341T89.4Confident89.7Confident2 Ų216.3 Ų16.31%0.0129%0.087CC..Hα-helixtrans-61.2-33.4-176.9-50.30000110.8T247 S338 G343 C344 T345 I695 E713 I714T247-T341 WeakPolarHBondContact CB-OG1 3.23Å; T247-T341 WeakPolarHBondContact CG2-OG1 3.22Å; S338-T341 PolarHBondContact O-N 3.13Å; T341-G343 PolarHBondContact O-N 3.39Å; T341-C344 WeakPolarHBondContact O-CA 3.4Å; T341-C344 PolarHBondContact O-N 2.87Å; T341-T345 PolarHBondContact O-N 3.17Å; T341-I695 HydrophobicContact CG2-CG2 3.87Å; T341-E713 HydrophobicContact CG2-CB 3.91Å; T341-I714 HydrophobicContact CG2-CD1 3.91Å; T341-I714 HydrophobicContact CG2-CG1 3.82Å
342L90.5Very high89.5Confident0 Ų016.6 Ų16.60%09%0.088CC..Hα-helixtrans-54.1-38.6172.6-87.8165.5000112.2M326 S338 E340 C344 T345 I714 M731 A744 V745M326-L342 HydrophobicContact CE-CD1 4.3Å; M326-L342 HydrophobicContact SD-CD1 4.35Å; S338-L342 WeakPolarHBondContact O-CB 3.39Å; S338-L342 WeakPolarHBondContact O-CG 3.3Å; S338-L342 PolarHBondContact O-N 3.41Å; E340-L342 PolarHBondContact O-N 2.82Å; L342-C344 PolarHBondContact O-N 3.01Å; L342-T345 WeakPolarHBondContact CA-OG1 3.33Å; L342-T345 WeakPolarHBondContact O-CB 3.42Å; L342-T345 PolarHBondContact O-N 2.79Å; L342-T345 PolarHBondContact O-OG1 3.26Å; L342-I714 HydrophobicContact CB-CD1 4.02Å; L342-I714 HydrophobicContact CD2-CD1 3.78Å; L342-I714 HydrophobicContact CD2-CG2 3.93Å; L342-I714 HydrophobicContact CG-CD1 3.67Å; L342-I714 HydrophobicContact CG-CG2 4.13Å; L342-M731 HydrophobicContact CD1-CE 4.26Å; L342-M731 HydrophobicContact CD1-SD 3.75Å; L342-M731 HydrophobicContact CD2-CE 3.87Å; L342-M731 HydrophobicContact CD2-SD 4.45Å; L342-A744 HydrophobicContact CD1-CB 4.21Å; L342-V745 HydrophobicContact CD2-CG2 4.3Å
343G89.6Confident88.9Confident4 Ų413.3 Ų13.34%0.0417%0.072CC..Hα-helixtrans-66.7-25.8177.800000113.9E340 T341 R749E340-G343 PolarHBondContact O-N 2.97Å; T341-G343 PolarHBondContact O-N 3.39Å; G343-R749 VanDerWaalsContact O-CG 3.25Å; G343-R749 WeakPolarHBondContact O-CG 3.41Å
344C91.6Very high88.3Confident2 Ų213 Ų131%0.0147%0.071CC..THydrogen-bonded Turntrans-90.6-1.2178.8-59.80000113.3T341 L342 S346 I695 R820T341-C344 WeakPolarHBondContact O-CA 3.4Å; T341-C344 PolarHBondContact O-N 2.87Å; L342-C344 PolarHBondContact O-N 3.01Å; C344-S346 PolarHBondContact O-N 3.1Å; C344-S346 VanDerWaalsContact O-N 3.17Å; C344-I695 HydrophobicContact CB-CG1 4.14Å; C344-I695 HydrophobicContact CB-CG2 4.43Å; C344-I695 WeakPolarHBondContact O-CB 3.4Å; C344-R820 PolarHBondContact SG-NE 3.37Å; C344-R820 VanDerWaalsContact SG-NE 3.41Å
345T95.4Very high88.1Confident1 Ų18.3 Ų8.31%0.0065%0.053CC..  trans-54.6121.8-177.1-52.80000111.4T341 L342 V347 I348 A697 P819T341-T345 PolarHBondContact O-N 3.17Å; L342-T345 WeakPolarHBondContact CA-OG1 3.33Å; L342-T345 WeakPolarHBondContact O-CB 3.42Å; L342-T345 PolarHBondContact O-N 2.79Å; L342-T345 PolarHBondContact O-OG1 3.26Å; T345-V347 WeakPolarHBondContact CG2-O 3.21Å; T345-I348 HydrophobicContact CG2-CG1 3.74Å; T345-A697 HydrophobicContact CG2-CB 3.7Å; T345-P819 WeakPolarHBondContact O-CG 3.21Å
346S95.6Very high88.4Confident12 Ų126.3 Ų6.38%0.0844%0.039CC..  trans-104.8-35.2-179.363.30000112C344 I617 R618 E694 I695C344-S346 PolarHBondContact O-N 3.1Å; C344-S346 VanDerWaalsContact O-N 3.17Å; S346-I617 WeakPolarHBondContact O-CA 3.04Å; S346-R618 PolarHBondContact O-N 2.75Å; S346-E694 WeakPolarHBondContact CB-OE2 3.21Å; S346-E694 WeakPolarHBondContact OG-CA 3.18Å; S346-E694 WeakPolarHBondContact OG-CB 3.32Å; S346-E694 PolarHBondContact OG-OE2 3.34Å; S346-I695 PolarHBondContact N-O 3.07Å; S346-I695 PolarHBondContact OG-N 3.37Å; S346-I695 PolarHBondContact OG-O 3.06Å
347V96.9Very high88.6Confident1 Ų14.1 Ų4.11%0.0063%0.027CC..EExtended strand (participates in β ladder)trans-130.3132.6-179.3-176.90000109.6T345 R618 I620 L689 E694 I695 T696 A697T345-V347 WeakPolarHBondContact CG2-O 3.21Å; V347-R618 CarbonylContact C-O 3.53Å; V347-R618 VanDerWaalsContact CA-O 3.25Å; V347-R618 WeakPolarHBondContact CA-O 3.25Å; V347-R618 HydrophobicContact CG1-CG 4.37Å; V347-R618 HydrophobicContact CG2-CB 4.27Å; V347-R618 HydrophobicContact CG2-CG 4.48Å; V347-I620 HydrophobicContact CG1-CD1 3.68Å; V347-I620 HydrophobicContact CG1-CG1 4.01Å; V347-L689 HydrophobicContact CB-CD1 4.44Å; V347-L689 HydrophobicContact CG1-CD1 3.87Å; V347-L689 HydrophobicContact CG1-CD2 4.36Å; V347-L689 HydrophobicContact CG2-CD2 4.26Å; V347-E694 HydrophobicContact CG2-CB 4.21Å; V347-E694 HydrophobicContact CG2-CG 4.47Å; V347-I695 PolarHBondContact N-O 2.91Å; V347-T696 WeakPolarHBondContact O-CA 3.48Å; V347-A697 PolarHBondContact O-N 2.79Å
348I97Very high88.5Confident0 Ų03.7 Ų3.70%02%0.024CC..EExtended strand (participates in β ladder)trans-113.1107.6170.9-58.6172.8000107.8T345 I617 R618 V619 I620 A697 T699 F738 I741T345-I348 HydrophobicContact CG2-CG1 3.74Å; I348-I617 HydrophobicContact CD1-CG2 3.82Å; I348-I617 HydrophobicContact CG1-CG2 3.81Å; I348-R618 PolarHBondContact N-O 3.49Å; I348-V619 CarbonylContact O-C 3.34Å; I348-V619 WeakPolarHBondContact O-CA 3.24Å; I348-I620 PolarHBondContact O-N 3.17Å; I348-A697 CarbonylContact C-O 3.46Å; I348-A697 WeakPolarHBondContact CA-O 3.41Å; I348-A697 HydrophobicContact CG1-CB 4.29Å; I348-T699 HydrophobicContact CG2-CG2 4.48Å; I348-F738 HydrophobicContact CD1-CZ 4.35Å; I348-F738 HydrophobicContact CG2-CE2 3.82Å; I348-F738 HydrophobicContact CG2-CZ 4.22Å; I348-I741 HydrophobicContact CD1-CG2 4.1Å
349C96Very high88.1Confident0 Ų06 Ų60%04%0.036CC..EExtended strand (participates in β ladder)trans-85.3111167.3-66.10000108.1I620 I622 A697 M698 T699C349-I620 CarbonylContact C-O 3.55Å; C349-I620 WeakPolarHBondContact CA-O 3.3Å; C349-I622 HydrophobicContact CB-CD1 3.9Å; C349-A697 PolarHBondContact N-O 2.92Å; C349-M698 HydrophobicContact CB-SD 3.45Å; C349-M698 WeakPolarHBondContact CB-SD 3.41Å; C349-M698 CarbonylContact O-C 3.58Å; C349-M698 WeakPolarHBondContact O-CA 3.47Å; C349-T699 PolarHBondContact O-N 2.62Å
350S92.1Very high88Confident0 Ų08.6 Ų8.60%05%0.048CC..EExtended strand (participates in β ladder)trans-112.3132.2-177.5-175.30000110.7T355 L356 I620 M621 I622 T699S350-T355 WeakPolarHBondContact OG-CG2 3.49Å; S350-L356 WeakPolarHBondContact OG-CG 3.17Å; S350-I620 PolarHBondContact N-O 2.69Å; S350-M621 WeakPolarHBondContact O-CA 3.33Å; S350-I622 PolarHBondContact O-N 3.32Å; S350-T699 VanDerWaalsContact CA-OG1 3.27Å; S350-T699 WeakPolarHBondContact CA-OG1 3.49Å; S350-T699 PolarHBondContact OG-OG1 2.62Å
351D87.8Confident88Confident8 Ų89.9 Ų9.94%0.0436%0.055CC..EExtended strand (participates in β ladder)trans-63.4150.6163.1-161.174.3000110T353 T355 I622 K682 T699D351-T353 PolarHBondContact OD2-N 2.74Å; D351-T355 WeakPolarHBondContact O-CB 3.4Å; D351-I622 WeakPolarHBondContact CA-O 3.32Å; D351-K682 IonicContact OD1-NZ 2.9Å; D351-K682 PolarHBondContact OD1-NZ 3.27Å; D351-T699 PolarHBondContact N-OG1 2.92Å
352K85.8Confident88.1Confident8 Ų810 Ų104%0.0356%0.055CC..Iπ-helixtrans-79.8-52.1179-176.2-129.758.4167.10111.3L356 T357 D599 M621 I622 D625 I633K352-L356 PolarHBondContact O-N 3.11Å; K352-L356 VanDerWaalsContact O-N 3.12Å; K352-T357 HydrophobicContact CD-CG2 4.13Å; K352-T357 HydrophobicContact CG-CG2 4.02Å; K352-T357 PolarHBondContact O-N 3.01Å; K352-T357 PolarHBondContact O-OG1 2.94Å; K352-T357 VanDerWaalsContact O-OG1 3.06Å; K352-D599 IonicContact NZ-OD2 2.86Å; K352-D599 PolarHBondContact NZ-OD2 2.9Å; K352-M621 HydrophobicContact CB-CG 4.11Å; K352-M621 HydrophobicContact CB-SD 4.08Å; K352-M621 HydrophobicContact CG-CE 4.27Å; K352-M621 HydrophobicContact CG-SD 3.99Å; K352-I622 PolarHBondContact N-O 3.37Å; K352-I622 VanDerWaalsContact N-O 3.14Å; K352-D625 VanDerWaalsContact CD-OD2 3.29Å; K352-D625 WeakPolarHBondContact CD-OD2 3.37Å; K352-D625 WeakPolarHBondContact CE-OD2 2.92Å; K352-D625 IonicContact NZ-OD1 2.7Å; K352-D625 IonicContact NZ-OD2 2.79Å; K352-D625 PolarHBondContact NZ-OD2 3.21Å; K352-I633 HydrophobicContact CD-CD1 3.61Å; K352-I633 HydrophobicContact CG-CD1 4.33Å
353T78.3Confident88.3Confident12 Ų1210.2 Ų10.27%0.0746%0.057CC..Iπ-helixtrans-76.2128.9-166.8-54.30000109.5D351 T355 T357 N359D351-T353 PolarHBondContact OD2-N 2.74Å; T353-T355 PolarHBondContact O-N 2.7Å; T353-T357 WeakPolarHBondContact CA-OG1 3.24Å; T353-N359 HydrophobicContact CG2-CB 3.91Å; T353-N359 VanDerWaalsContact CG2-CG 3.42Å; T353-N359 VanDerWaalsContact CG2-OD1 3.3Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.45Å
354G75.9Confident88.5Confident5 Ų511.1 Ų11.15%0.0526%0.062CC..Iπ-helixtrans76.8-23.6177.800000115T357 R602 M718G354-T357 CarbonylContact C-O 3.59Å; G354-T357 WeakPolarHBondContact CA-O 3.32Å; G354-T357 PolarHBondContact N-O 2.83Å; G354-T357 PolarHBondContact N-OG1 3.34Å; G354-R602 PolarHBondContact O-NH2 3.3Å; G354-M718 WeakPolarHBondContact O-CE 3.37Å
355T79.8Confident88.6Confident0 Ų014.6 Ų14.60%08%0.075CC..Iπ-helixtrans-94.4-69.5175.4-47.90000112S350 D351 T353 R602 T699 M718 F738S350-T355 WeakPolarHBondContact OG-CG2 3.49Å; D351-T355 WeakPolarHBondContact O-CB 3.4Å; T353-T355 PolarHBondContact O-N 2.7Å; T355-R602 WeakPolarHBondContact O-CD 3.36Å; T355-R602 PolarHBondContact O-NE 2.89Å; T355-T699 HydrophobicContact CG2-CG2 4.41Å; T355-M718 HydrophobicContact CG2-CE 4.04Å; T355-M718 HydrophobicContact CG2-SD 3.9Å; T355-M718 PolarHBondContact OG1-SD 3.09Å; T355-F738 HydrophobicContact CG2-CD2 4.44Å
356L86.7Confident88.6Confident0 Ų014.5 Ų14.50%08%0.075CC..Iπ-helixtrans-77.6-28.1178.6-61.6174.5000111.5S350 K352 P601 R602 V605 M621 I637 I639 F738S350-L356 WeakPolarHBondContact OG-CG 3.17Å; K352-L356 PolarHBondContact O-N 3.11Å; K352-L356 VanDerWaalsContact O-N 3.12Å; L356-P601 WeakPolarHBondContact O-CA 3.44Å; L356-R602 PolarHBondContact O-N 3.08Å; L356-V605 HydrophobicContact CD2-CG1 3.75Å; L356-V605 HydrophobicContact CD2-CG2 4.49Å; L356-M621 HydrophobicContact CD1-CB 4.38Å; L356-M621 HydrophobicContact CD1-CE 3.55Å; L356-M621 HydrophobicContact CD1-CG 4.02Å; L356-I637 HydrophobicContact CD1-CD1 3.96Å; L356-I637 HydrophobicContact CD2-CD1 4.46Å; L356-I639 HydrophobicContact CD1-CD1 4.41Å; L356-F738 HydrophobicContact CD2-CB 4.33Å; L356-F738 HydrophobicContact CD2-CD2 3.66Å; L356-F738 HydrophobicContact CD2-CE2 4.13Å; L356-F738 HydrophobicContact CD2-CG 3.95Å
357T85.9Confident88.7Confident0 Ų014 Ų140%07%0.071CC..BIsolated β-bridgetrans-109.6166.1175.864.80000111.9K352 T353 G354 N359 D599 P600 R602K352-T357 HydrophobicContact CD-CG2 4.13Å; K352-T357 HydrophobicContact CG-CG2 4.02Å; K352-T357 PolarHBondContact O-N 3.01Å; K352-T357 PolarHBondContact O-OG1 2.94Å; K352-T357 VanDerWaalsContact O-OG1 3.06Å; T353-T357 WeakPolarHBondContact CA-OG1 3.24Å; G354-T357 CarbonylContact C-O 3.59Å; G354-T357 WeakPolarHBondContact CA-O 3.32Å; G354-T357 PolarHBondContact N-O 2.83Å; G354-T357 PolarHBondContact N-OG1 3.34Å; T357-N359 PolarHBondContact O-N 3.34Å; T357-D599 VanDerWaalsContact CB-CG 3.44Å; T357-D599 WeakPolarHBondContact CB-OD1 3.46Å; T357-D599 WeakPolarHBondContact CB-OD2 3.42Å; T357-D599 VanDerWaalsContact OG1-CG 3.23Å; T357-D599 PolarHBondContact OG1-OD1 3.45Å; T357-D599 PolarHBondContact OG1-OD2 3.47Å; T357-P600 VanDerWaalsContact CA-O 3.26Å; T357-P600 WeakPolarHBondContact CA-O 3.05Å; T357-P600 VanDerWaalsContact CB-O 3.29Å; T357-P600 WeakPolarHBondContact CB-O 3.42Å; T357-R602 PolarHBondContact O-NE 3.36Å
358T81.8Confident88.6Confident18 Ų1814.1 Ų14.111%0.117%0.072CC..  trans-75.8-11.2178.956.50000113.2Q360 S387 P600 R602T358-Q360 WeakPolarHBondContact O-CG 3.45Å; T358-Q360 PolarHBondContact O-N 2.92Å; T358-Q360 PolarHBondContact OG1-N 2.88Å; T358-S387 PolarHBondContact OG1-O 3.25Å; T358-P600 PolarHBondContact N-O 3.49Å; T358-P600 VanDerWaalsContact N-O 3.07Å; T358-R602 HydrophobicContact CG2-CG 3.98Å
359N78.9Confident88.5Confident54 Ų5414.3 Ų14.329%0.2897%0.072SC..SBendtrans53.229.2-165.9-164.615.6000112.1S184 T353 T357 D599S184-N359 PolarHBondContact OG-ND2 2.72Å; T353-N359 HydrophobicContact CG2-CB 3.91Å; T353-N359 VanDerWaalsContact CG2-CG 3.42Å; T353-N359 VanDerWaalsContact CG2-OD1 3.3Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.45Å; T357-N359 PolarHBondContact O-N 3.34Å; N359-D599 WeakPolarHBondContact CA-OD1 3.4Å; N359-D599 PolarHBondContact N-OD1 3.01Å
360Q84.3Confident88.2Confident53 Ų5318.3 Ų18.325%0.2489%0.094CC..  trans-122.795.5-179.4-65.2-174.828.900109.2T358 S362 Y389 D599 P600T358-Q360 WeakPolarHBondContact O-CG 3.45Å; T358-Q360 PolarHBondContact O-N 2.92Å; T358-Q360 PolarHBondContact OG1-N 2.88Å; Q360-S362 PolarHBondContact O-N 3.06Å; Q360-S362 VanDerWaalsContact O-N 3.11Å; Q360-S362 PolarHBondContact O-OG 3.39Å; Q360-Y389 HydrophobicContact CB-CD2 4.04Å; Q360-Y389 HydrophobicContact CB-CE2 3.92Å; Q360-Y389 HydrophobicContact CB-CG 4.46Å; Q360-Y389 HydrophobicContact CG-CD2 3.77Å; Q360-Y389 HydrophobicContact CG-CE2 3.8Å; Q360-D599 PolarHBondContact N-OD1 3.19Å; Q360-P600 VanDerWaalsContact O-CD 3.24Å; Q360-P600 WeakPolarHBondContact O-CD 3.26Å
361M89.1Confident88Confident27 Ų2724.4 Ų24.413%0.13312%0.121CC..  trans-54120.6178.9-169.464.257.800110Y389 A440 A444 M597 L598 D599M361-Y389 PolarHBondContact N-OH 2.76Å; M361-Y389 WeakPolarHBondContact O-CE1 3.42Å; M361-A440 HydrophobicContact CB-CB 4.04Å; M361-A444 HydrophobicContact CB-CB 4.16Å; M361-A444 HydrophobicContact CG-CB 3.89Å; M361-A444 WeakPolarHBondContact O-CB 3.26Å; M361-M597 HydrophobicContact CG-CB 4.18Å; M361-M597 HydrophobicContact CG-CG 3.94Å; M361-M597 HydrophobicContact CG-SD 3.55Å; M361-M597 VanDerWaalsContact CG-SD 3.55Å; M361-M597 HydrophobicContact SD-CB 3.99Å; M361-M597 HydrophobicContact SD-CG 3.63Å; M361-M597 HydrophobicContact SD-SD 3.97Å; M361-L598 VanDerWaalsContact SD-C 3.58Å; M361-D599 HydrophobicContact CE-CB 4.48Å
362S91.7Very high88Confident4 Ų424.8 Ų24.83%0.02812%0.124CC..EExtended strand (participates in β ladder)trans-132.4129.4-172.5-65.10000110.1Q360 C364 S387 M597 L598Q360-S362 PolarHBondContact O-N 3.06Å; Q360-S362 VanDerWaalsContact O-N 3.11Å; Q360-S362 PolarHBondContact O-OG 3.39Å; S362-C364 PolarHBondContact O-N 3.17Å; S362-C364 PolarHBondContact O-SG 3.42Å; S362-C364 VanDerWaalsContact O-SG 3.33Å; S362-S387 VanDerWaalsContact OG-C 3.28Å; S362-S387 PolarHBondContact OG-O 2.81Å; S362-M597 VanDerWaalsContact O-CA 3.22Å; S362-M597 WeakPolarHBondContact O-CA 3.25Å; S362-M597 WeakPolarHBondContact O-CB 3.46Å; S362-L598 PolarHBondContact N-O 3.3Å; S362-L598 PolarHBondContact O-N 2.84Å
363V94.9Very high87.9Confident5 Ų531.3 Ų31.33%0.0316%0.155CC..EExtended strand (participates in β ladder)trans-70.5123.4172.5-1770000108.3I384 A444 L445 L448 V595 M597V363-I384 HydrophobicContact CG1-CD1 4.24Å; V363-I384 WeakPolarHBondContact O-CB 3.27Å; V363-A444 HydrophobicContact CG2-CB 4.23Å; V363-L445 HydrophobicContact CG2-CD2 4.26Å; V363-L448 HydrophobicContact CB-CB 4.25Å; V363-L448 HydrophobicContact CB-CD1 4.15Å; V363-L448 HydrophobicContact CB-CD2 4.31Å; V363-L448 HydrophobicContact CB-CG 4.46Å; V363-L448 HydrophobicContact CG1-CD1 4.05Å; V363-L448 HydrophobicContact CG1-CD2 4.03Å; V363-L448 HydrophobicContact CG2-CB 4.07Å; V363-L448 HydrophobicContact CG2-CD2 4.15Å; V363-V595 HydrophobicContact CG1-CB 4.04Å; V363-V595 HydrophobicContact CG1-CG1 4.44Å; V363-M597 HydrophobicContact CG2-CB 4.14Å; V363-M597 HydrophobicContact CG2-CE 4.22Å
364C92.1Very high88.2Confident23 Ų2333.9 Ų33.916%0.15518%0.184CC..EExtended strand (participates in β ladder)trans-115.1-27.7-175.6-64.70000112.6S362 T383 I384 G596 L598S362-C364 PolarHBondContact O-N 3.17Å; S362-C364 PolarHBondContact O-SG 3.42Å; S362-C364 VanDerWaalsContact O-SG 3.33Å; C364-T383 WeakPolarHBondContact O-CA 3.3Å; C364-I384 PolarHBondContact O-N 3.33Å; C364-G596 PolarHBondContact N-O 2.75Å; C364-L598 HydrophobicContact CB-CD2 3.65Å; C364-L598 WeakPolarHBondContact SG-CD2 3.32Å
365R94.5Very high88.6Confident75 Ų7539.5 Ų39.528%0.28321%0.209SC..EExtended strand (participates in β ladder)trans-131.9150.3175.2-62-76.7-1671573.7110.1F382 T383 Y550 D555 L557 G596R365-F382 WeakPolarHBondContact CA-O 3.28Å; R365-T383 PolarHBondContact NH1-OG1 3.13Å; R365-Y550 HydrophobicContact CB-CD2 4.16Å; R365-Y550 HydrophobicContact CB-CE1 4.48Å; R365-Y550 HydrophobicContact CB-CE2 3.5Å; R365-Y550 HydrophobicContact CG-CE1 4.45Å; R365-Y550 HydrophobicContact CG-CE2 4.29Å; R365-D555 IonicContact CZ-OD2 2.66Å; R365-D555 IonicContact NE-OD2 2.87Å; R365-D555 PolarHBondContact NE-OD2 2.9Å; R365-D555 IonicContact NH2-OD2 2.78Å; R365-D555 PolarHBondContact NH2-OD2 3.28Å; R365-L557 HydrophobicContact CB-CD1 3.68Å; R365-L557 HydrophobicContact CG-CD1 3.52Å; R365-G596 PolarHBondContact N-O 3.37Å; R365-G596 VanDerWaalsContact N-O 3.14Å; R365-G596 PolarHBondContact O-N 3.01Å
366M96.4Very high88.9Confident0 Ų043.2 Ų43.20%024%0.235CC..EExtended strand (participates in β ladder)trans-148.2160.616368.2-175.1172.400110.1F382 I384 V395 L410 L413 L448 M452 C594 V595M366-F382 HydrophobicContact CE-CB 3.83Å; M366-F382 HydrophobicContact CE-CD2 4.25Å; M366-F382 HydrophobicContact CE-CG 4.02Å; M366-F382 HydrophobicContact CG-CB 3.84Å; M366-F382 HydrophobicContact CG-CD2 4.17Å; M366-F382 HydrophobicContact CG-CG 4.4Å; M366-F382 PolarHBondContact N-O 3.04Å; M366-F382 PolarHBondContact O-N 2.84Å; M366-I384 HydrophobicContact CB-CD1 4.35Å; M366-I384 HydrophobicContact CE-CD1 4.34Å; M366-I384 HydrophobicContact CG-CD1 3.9Å; M366-I384 HydrophobicContact SD-CD1 4.24Å; M366-V395 HydrophobicContact CE-CG1 3.66Å; M366-V395 HydrophobicContact CE-CG2 4.44Å; M366-L410 HydrophobicContact CE-CD1 4.13Å; M366-L410 HydrophobicContact CE-CD2 3.68Å; M366-L410 HydrophobicContact SD-CD2 3.99Å; M366-L413 HydrophobicContact SD-CD2 4.15Å; M366-L448 HydrophobicContact SD-CD1 4.35Å; M366-M452 HydrophobicContact CE-CE 4.12Å; M366-M452 HydrophobicContact CE-CG 4.4Å; M366-M452 HydrophobicContact CE-SD 4.33Å; M366-M452 HydrophobicContact SD-CE 4.26Å; M366-M452 HydrophobicContact SD-SD 4.16Å; M366-C594 CarbonylContact C-O 3.56Å; M366-C594 WeakPolarHBondContact CA-O 3.21Å; M366-C594 WeakPolarHBondContact CB-O 3.49Å; M366-V595 HydrophobicContact CB-CB 4.49Å; M366-V595 HydrophobicContact CB-CG1 3.92Å
367F96.5Very high89Confident0 Ų044.4 Ų44.40%024%0.243CC..EExtended strand (participates in β ladder)trans-144.4154.3171.771.9-101.4000112.2L379 S380 E381 I543 V546 I547 Y550 F591 G593 C594F367-L379 HydrophobicContact CD2-CD1 3.94Å; F367-L379 HydrophobicContact CD2-CD2 4.28Å; F367-L379 HydrophobicContact CD2-CG 4.47Å; F367-L379 HydrophobicContact CE2-CD1 4Å; F367-L379 HydrophobicContact CE2-CD2 4.45Å; F367-S380 VanDerWaalsContact CA-O 3.24Å; F367-S380 WeakPolarHBondContact CA-O 3.48Å; F367-S380 WeakPolarHBondContact CB-O 3.4Å; F367-E381 HydrophobicContact CB-CG 3.9Å; F367-I543 HydrophobicContact CE2-CG2 4.2Å; F367-I543 HydrophobicContact CZ-CG2 4.07Å; F367-V546 HydrophobicContact CD1-CG1 3.92Å; F367-V546 HydrophobicContact CE1-CB 4.36Å; F367-V546 HydrophobicContact CE1-CG1 3.85Å; F367-I547 HydrophobicContact CE1-CG1 3.96Å; F367-I547 HydrophobicContact CZ-CD1 4.21Å; F367-I547 HydrophobicContact CZ-CG1 3.87Å; F367-Y550 AromaticContact CD1-CE2 3.86Å; F367-Y550 HydrophobicContact CD1-CE2 3.86Å; F367-Y550 HydrophobicContact CE1-CE2 4.4Å; F367-F591 HydrophobicContact CE2-CE1 4.2Å; F367-F591 HydrophobicContact CE2-CZ 4.07Å; F367-F591 HydrophobicContact CZ-CZ 4.39Å; F367-G593 WeakPolarHBondContact O-CA 3.35Å; F367-C594 HydrophobicContact CD1-CB 3.92Å; F367-C594 HydrophobicContact CE1-CB 3.35Å; F367-C594 HydrophobicContact CE2-CB 4.07Å; F367-C594 HydrophobicContact CZ-CB 3.42Å; F367-C594 VanDerWaalsContact CZ-CB 3.42Å; F367-C594 PolarHBondContact N-O 3.33Å; F367-C594 PolarHBondContact O-N 3.23Å
368I95.9Very high89.4Confident5 Ų546.8 Ų46.83%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-132.1164.7174.267.3-165.5000109.6L379 S380 F382 F407 A409 L410 L413I368-L379 WeakPolarHBondContact O-CA 3.44Å; I368-S380 PolarHBondContact N-O 3Å; I368-S380 PolarHBondContact O-N 3.27Å; I368-F382 HydrophobicContact CD1-CE2 3.7Å; I368-F382 HydrophobicContact CD1-CZ 4.04Å; I368-F382 HydrophobicContact CG1-CE2 3.96Å; I368-F407 HydrophobicContact CD1-CB 4.27Å; I368-F407 HydrophobicContact CD1-CD1 4.4Å; I368-A409 HydrophobicContact CB-CB 4.24Å; I368-A409 HydrophobicContact CD1-CB 4.14Å; I368-A409 HydrophobicContact CG2-CB 4.36Å; I368-L410 HydrophobicContact CD1-CD2 3.97Å; I368-L410 HydrophobicContact CD1-CG 3.85Å; I368-L410 HydrophobicContact CG2-CD2 3.73Å; I368-L413 HydrophobicContact CG2-CD1 3.8Å
369L93.6Very high89.9Confident3 Ų347.3 Ų47.32%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-79.1132.6171.4-73.783.5000110.8A372 C377 L379 V526 V528 I539 I543 F591L369-A372 HydrophobicContact CD2-CB 4.41Å; L369-C377 HydrophobicContact CD2-CB 4.43Å; L369-L379 HydrophobicContact CD1-CD2 4.33Å; L369-L379 HydrophobicContact CG-CD2 3.82Å; L369-V526 HydrophobicContact CD1-CB 4.43Å; L369-V526 HydrophobicContact CD2-CB 3.71Å; L369-V526 HydrophobicContact CD2-CG1 4.09Å; L369-V526 HydrophobicContact CD2-CG2 3.68Å; L369-V528 HydrophobicContact CB-CG2 4.16Å; L369-V528 HydrophobicContact CD2-CG2 4.37Å; L369-I539 HydrophobicContact CD2-CG2 4.09Å; L369-I543 HydrophobicContact CD1-CD1 4.15Å; L369-F591 HydrophobicContact CD1-CD1 3.57Å; L369-F591 HydrophobicContact CD1-CE1 3.63Å
370N89.8Confident90.7Very high84 Ų8445.1 Ų45.145%0.44925%0.25SS..EExtended strand (participates in β ladder)trans-94.6-49.8176-172.25.1000111.4S378 S380 V528N370-S378 PolarHBondContact N-O 2.91Å; N370-S380 WeakPolarHBondContact CB-OG 3.36Å; N370-V528 WeakPolarHBondContact O-CG1 3.3Å
371K88.9Confident91.2Very high129 Ų12946 Ų4656%0.56126%0.255SS*.EExtended strand (participates in β ladder)trans-142.5146.4175.6-64.1-174.1178.7-177.60110.6C377 S378K371-C377 CarbonylContact O-C 3.58Å; K371-C377 WeakPolarHBondContact O-CA 3.37Å; K371-C377 WeakPolarHBondContact O-CB 3.47Å; K371-S378 PolarHBondContact N-O 3.34Å; K371-S378 PolarHBondContact N-OG 3.27Å; K371-S378 PolarHBondContact O-N 2.64Å
372A87.6Confident91.5Very high15 Ų1544.7 Ų44.712%0.12425%0.248CC..EExtended strand (participates in β ladder)trans-139.2118.317300000109.6L369 C377 V526 V528 V533 I539L369-A372 HydrophobicContact CD2-CB 4.41Å; A372-C377 HydrophobicContact CB-CB 4.29Å; A372-V526 HydrophobicContact CB-CG2 4.46Å; A372-V528 HydrophobicContact CB-CG2 3.84Å; A372-V533 HydrophobicContact CB-CG1 4.39Å; A372-I539 HydrophobicContact CB-CD1 3.89Å
373E83.9Confident91.6Very high145 Ų14547.2 Ų47.268%0.67826%0.263SS*.EExtended strand (participates in β ladder)trans-136.4117.4178.3-71.5-179.9-162.900109.5E375 S376E373-E375 PolarHBondContact O-N 2.9Å; E373-S376 PolarHBondContact N-O 2.98Å; E373-S376 PolarHBondContact O-N 3.06Å; E373-S376 PolarHBondContact O-OG 2.68Å
374G83.2Confident91.7Very high67 Ų6747.3 Ų47.369%0.69126%0.264SS*.THydrogen-bonded Turntrans60.7-120.1-177.900000113.1S536G374-S536 PolarHBondContact O-OG 3.39Å
375E84.9Confident91.7Very high123 Ų12349 Ų4958%0.57527%0.274SS*.THydrogen-bonded Turntrans-89.5-4.5177.5-72.1-70.9153.300113.1E373 G538E373-E375 PolarHBondContact O-N 2.9Å; E375-G538 CarbonylContact O-C 3.47Å; E375-G538 WeakPolarHBondContact O-CA 3.26Å; E375-G538 WeakPolarHBondContact OE2-CA 3.21Å; E375-G538 PolarHBondContact OE2-N 3.27Å
376S86Confident91.4Very high78 Ų7847 Ų4755%0.54528%0.276SS..EExtended strand (participates in β ladder)trans-111143-173.570.60000112.7E373E373-S376 PolarHBondContact N-O 2.98Å; E373-S376 PolarHBondContact O-N 3.06Å; E373-S376 PolarHBondContact O-OG 2.68Å
377C89.9Confident90.8Very high25 Ų2548.4 Ų48.417%0.16929%0.286CS..EExtended strand (participates in β ladder)trans-139.8152171.463.60000112.4L369 K371 A372 I539L369-C377 HydrophobicContact CD2-CB 4.43Å; K371-C377 CarbonylContact O-C 3.58Å; K371-C377 WeakPolarHBondContact O-CA 3.37Å; K371-C377 WeakPolarHBondContact O-CB 3.47Å; A372-C377 HydrophobicContact CB-CB 4.29Å; C377-I539 HydrophobicContact CB-CG1 3.97Å; C377-I539 HydrophobicContact CB-CG2 4.21Å
378S92.6Very high90.5Very high49 Ų4950.5 Ų50.534%0.34330%0.299SS..EExtended strand (participates in β ladder)trans-109.9138.716662.10000110.5N370 K371N370-S378 PolarHBondContact N-O 2.91Å; K371-S378 PolarHBondContact N-O 3.34Å; K371-S378 PolarHBondContact N-OG 3.27Å; K371-S378 PolarHBondContact O-N 2.64Å
379L93.6Very high90.3Very high30 Ų3050.6 Ų50.616%0.15730%0.299CS..EExtended strand (participates in β ladder)trans-104.4146177.4-54.2-179.6000109.4F367 I368 L369 I543 V546F367-L379 HydrophobicContact CD2-CD1 3.94Å; F367-L379 HydrophobicContact CD2-CD2 4.28Å; F367-L379 HydrophobicContact CD2-CG 4.47Å; F367-L379 HydrophobicContact CE2-CD1 4Å; F367-L379 HydrophobicContact CE2-CD2 4.45Å; I368-L379 WeakPolarHBondContact O-CA 3.44Å; L369-L379 HydrophobicContact CD1-CD2 4.33Å; L369-L379 HydrophobicContact CG-CD2 3.82Å; L379-I543 HydrophobicContact CD2-CG1 4.43Å; L379-V546 HydrophobicContact CD1-CB 4.22Å; L379-V546 HydrophobicContact CD1-CG2 3.73Å
380S94.3Very high90.2Very high7 Ų751.1 Ų51.15%0.04930%0.304CS..EExtended strand (participates in β ladder)trans-103.4115.1166.2-71.10000108.2F367 I368 N370 F382F367-S380 VanDerWaalsContact CA-O 3.24Å; F367-S380 WeakPolarHBondContact CA-O 3.48Å; F367-S380 WeakPolarHBondContact CB-O 3.4Å; I368-S380 PolarHBondContact N-O 3Å; I368-S380 PolarHBondContact O-N 3.27Å; N370-S380 WeakPolarHBondContact CB-OG 3.36Å; S380-F382 WeakPolarHBondContact O-CE2 3.37Å
381E95.2Very high90.4Very high72 Ų7247.6 Ų47.634%0.33629%0.285SS..EExtended strand (participates in β ladder)trans-97.6142.5178.3-67.2177.6-140.300111F367 Y550F367-E381 HydrophobicContact CB-CG 3.9Å; E381-Y550 PolarHBondContact OE2-OH 2.86Å
382F95.9Very high90.5Very high0 Ų047.6 Ų47.60%029%0.287CS..EExtended strand (participates in β ladder)trans-130.3146.9-179.1-56.3-90.9000110.3R365 M366 I368 S380 V395 Y396 Q397 V402 F407 L410R365-F382 WeakPolarHBondContact CA-O 3.28Å; M366-F382 HydrophobicContact CE-CB 3.83Å; M366-F382 HydrophobicContact CE-CD2 4.25Å; M366-F382 HydrophobicContact CE-CG 4.02Å; M366-F382 HydrophobicContact CG-CB 3.84Å; M366-F382 HydrophobicContact CG-CD2 4.17Å; M366-F382 HydrophobicContact CG-CG 4.4Å; M366-F382 PolarHBondContact N-O 3.04Å; M366-F382 PolarHBondContact O-N 2.84Å; I368-F382 HydrophobicContact CD1-CE2 3.7Å; I368-F382 HydrophobicContact CD1-CZ 4.04Å; I368-F382 HydrophobicContact CG1-CE2 3.96Å; S380-F382 WeakPolarHBondContact O-CE2 3.37Å; F382-V395 HydrophobicContact CB-CG1 3.92Å; F382-V395 HydrophobicContact CD1-CG1 4.05Å; F382-V395 HydrophobicContact CG-CG1 4.29Å; F382-Y396 CarbonylContact C-O 3.54Å; F382-Y396 VanDerWaalsContact CA-O 3.25Å; F382-Y396 WeakPolarHBondContact CA-O 3.31Å; F382-Q397 HydrophobicContact CD1-CB 3.88Å; F382-Q397 HydrophobicContact CD1-CG 4.25Å; F382-Q397 HydrophobicContact CE1-CB 3.97Å; F382-Q397 HydrophobicContact CE1-CG 4.09Å; F382-V402 HydrophobicContact CD1-CG2 4.02Å; F382-V402 HydrophobicContact CE1-CG2 4.1Å; F382-F407 HydrophobicContact CE1-CD2 4.43Å; F382-F407 HydrophobicContact CE1-CE2 4.08Å; F382-F407 HydrophobicContact CE1-CZ 4.13Å; F382-F407 HydrophobicContact CZ-CD1 4.23Å; F382-F407 HydrophobicContact CZ-CD2 4.41Å; F382-F407 HydrophobicContact CZ-CE1 4.15Å; F382-F407 HydrophobicContact CZ-CE2 4.34Å; F382-F407 HydrophobicContact CZ-CG 4.35Å; F382-F407 HydrophobicContact CZ-CZ 4.21Å; F382-L410 HydrophobicContact CD2-CD2 4.32Å; F382-L410 HydrophobicContact CE1-CD1 4.13Å; F382-L410 HydrophobicContact CE2-CD1 4.19Å; F382-L410 HydrophobicContact CE2-CD2 4.11Å; F382-L410 HydrophobicContact CE2-CG 4.43Å; F382-L410 HydrophobicContact CZ-CD1 3.93Å; F382-L410 HydrophobicContact CZ-CG 4.5Å
383T94.9Very high90.6Very high56 Ų5648.3 Ų48.334%0.34430%0.296SS..EExtended strand (participates in β ladder)trans-114.5140.2174.7-49.90000109.1C364 R365 Y396C364-T383 WeakPolarHBondContact O-CA 3.3Å; R365-T383 PolarHBondContact NH1-OG1 3.13Å; T383-Y396 PolarHBondContact N-O 3.14Å; T383-Y396 PolarHBondContact O-N 3.12Å
384I95Very high91.1Very high8 Ų846.1 Ų46.14%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-119.6133.3-176.1-59.893.6000108.9V363 C364 M366 V395 L448 K451V363-I384 HydrophobicContact CG1-CD1 4.24Å; V363-I384 WeakPolarHBondContact O-CB 3.27Å; C364-I384 PolarHBondContact O-N 3.33Å; M366-I384 HydrophobicContact CB-CD1 4.35Å; M366-I384 HydrophobicContact CE-CD1 4.34Å; M366-I384 HydrophobicContact CG-CD1 3.9Å; M366-I384 HydrophobicContact SD-CD1 4.24Å; I384-V395 HydrophobicContact CG1-CG1 4.45Å; I384-V395 HydrophobicContact CG1-CG2 4.06Å; I384-L448 HydrophobicContact CD1-CD1 4.24Å; I384-L448 HydrophobicContact CG1-CD1 3.91Å; I384-L448 HydrophobicContact CG2-CD1 4.36Å; I384-K451 HydrophobicContact CG2-CD 3.83Å
385T92.7Very high91.7Very high59 Ų5943.2 Ų43.236%0.36225%0.254SS..  trans-93.3166.1177.363.60000112.4G393 E394 Y396 K451T385-G393 WeakPolarHBondContact OG1-CA 3.23Å; T385-E394 PolarHBondContact N-O 2.57Å; T385-E394 PolarHBondContact OG1-N 3.33Å; T385-E394 PolarHBondContact OG1-O 3.17Å; T385-Y396 HydrophobicContact CG2-CD2 3.9Å; T385-Y396 HydrophobicContact CG2-CE2 3.63Å; T385-K451 PolarHBondContact O-NZ 2.75Å
386G88.8Confident92.2Very high32 Ų3240.3 Ų40.333%0.3324%0.239SC..  trans90.4123.2-177.400000112.3K451G386-K451 PolarHBondContact O-NZ 2.98Å; G386-K451 VanDerWaalsContact O-NZ 3.1Å
387S84.6Confident92.5Very high30 Ų3038.5 Ų38.521%0.2122%0.222CC..SBendtrans-103.113.9-173.4510000113.8T358 S362 P600T358-S387 PolarHBondContact OG1-O 3.25Å; S362-S387 VanDerWaalsContact OG-C 3.28Å; S362-S387 PolarHBondContact OG-O 2.81Å; S387-P600 VanDerWaalsContact CB-CG 3.46Å; S387-P600 WeakPolarHBondContact O-CG 3.38Å
388T88.9Confident92.5Very high44 Ų4444.6 Ų44.627%0.2725%0.252SS..SBendtrans-132.9169.8-173.459.70000111.4A390T388-A390 PolarHBondContact O-N 3.04Å; T388-A390 WeakPolarHBondContact OG1-CB 3.48Å
389Y91.8Very high92.3Very high7 Ų745.4 Ų45.43%0.02727%0.268CS..SBendtrans-71.7-11.7171.4-69.8-46.5000114.4Q360 M361 L425 K436 A440 T443 C447Q360-Y389 HydrophobicContact CB-CD2 4.04Å; Q360-Y389 HydrophobicContact CB-CE2 3.92Å; Q360-Y389 HydrophobicContact CB-CG 4.46Å; Q360-Y389 HydrophobicContact CG-CD2 3.77Å; Q360-Y389 HydrophobicContact CG-CE2 3.8Å; M361-Y389 PolarHBondContact N-OH 2.76Å; M361-Y389 WeakPolarHBondContact O-CE1 3.42Å; Y389-L425 HydrophobicContact CD1-CD2 4.42Å; Y389-L425 HydrophobicContact CG-CD2 4.28Å; Y389-L425 WeakPolarHBondContact O-CD2 3.42Å; Y389-K436 HydrophobicContact CD2-CB 4.19Å; Y389-K436 HydrophobicContact CE2-CB 3.89Å; Y389-K436 HydrophobicContact CE2-CD 4.18Å; Y389-K436 HydrophobicContact CE2-CG 4.16Å; Y389-A440 VanDerWaalsContact OH-CA 3.32Å; Y389-A440 WeakPolarHBondContact OH-CA 3.47Å; Y389-A440 WeakPolarHBondContact OH-CB 3.24Å; Y389-T443 HydrophobicContact CD1-CG2 3.62Å; Y389-T443 HydrophobicContact CE1-CG2 3.77Å; Y389-T443 HydrophobicContact CG-CG2 4.13Å; Y389-C447 PolarHBondContact O-SG 3.47Å; Y389-C447 VanDerWaalsContact O-SG 3.37Å
390A92.6Very high92.2Very high14 Ų1451.2 Ų51.212%0.11629%0.292CS..SBendtrans-56.6134171.300000110.6T388 E392 Y434 C447T388-A390 PolarHBondContact O-N 3.04Å; T388-A390 WeakPolarHBondContact OG1-CB 3.48Å; A390-E392 HydrophobicContact CB-CB 4.42Å; A390-E392 HydrophobicContact CB-CG 4.28Å; A390-E392 PolarHBondContact O-N 2.84Å; A390-Y434 HydrophobicContact CB-CD2 3.65Å; A390-Y434 HydrophobicContact CB-CE2 4.24Å; A390-Y434 HydrophobicContact CB-CG 4.41Å; A390-C447 PolarHBondContact O-SG 3.49Å
391P93.2Very high92.2Very high9 Ų954.8 Ų54.86%0.05832%0.316CS..SBendtrans-76.644.3178.434.1-36.2000111.8Y434 E450 R467P391-Y434 HydrophobicContact CG-CE1 4.14Å; P391-Y434 HydrophobicContact CG-CE2 4.4Å; P391-E450 HydrophobicContact CB-CB 3.55Å; P391-E450 HydrophobicContact CB-CG 4.17Å; P391-R467 HydrophobicContact CG-CG 3.78Å; P391-R467 PolarHBondContact O-NH2 3.35Å
392E90.3Very high92.2Very high130 Ų13053.1 Ų53.161%0.60731%0.31SS*.  trans-115.1120.4-179.3-63.9178.8-170.500108.3A390 K451A390-E392 HydrophobicContact CB-CB 4.42Å; A390-E392 HydrophobicContact CB-CG 4.28Å; A390-E392 PolarHBondContact O-N 2.84Å; E392-K451 VanDerWaalsContact O-CE 3.29Å; E392-K451 WeakPolarHBondContact O-CE 3.43Å
393G90.8Very high92.1Very high30 Ų3059.2 Ų59.231%0.30934%0.337SS..  trans150.2163.9-175.200000111.6T385T385-G393 WeakPolarHBondContact OG1-CA 3.23Å
394E92.9Very high92Very high99 Ų9956.8 Ų56.846%0.46332%0.322SS..  trans-131.3159.5-176.3-66.4177.8169.400110.3T385 Y396T385-E394 PolarHBondContact N-O 2.57Å; T385-E394 PolarHBondContact OG1-N 3.33Å; T385-E394 PolarHBondContact OG1-O 3.17Å; E394-Y396 HydrophobicContact CB-CD2 4.37Å; E394-Y396 HydrophobicContact CB-CE2 3.66Å; E394-Y396 PolarHBondContact OE2-OH 2.79Å
395V95.8Very high91.9Very high5 Ų557.8 Ų57.83%0.0333%0.33CS..EExtended strand (participates in β ladder)trans-102.8129.9177.2-177.20000109.4M366 F382 I384 P401 V402 M452M366-V395 HydrophobicContact CE-CG1 3.66Å; M366-V395 HydrophobicContact CE-CG2 4.44Å; F382-V395 HydrophobicContact CB-CG1 3.92Å; F382-V395 HydrophobicContact CD1-CG1 4.05Å; F382-V395 HydrophobicContact CG-CG1 4.29Å; I384-V395 HydrophobicContact CG1-CG1 4.45Å; I384-V395 HydrophobicContact CG1-CG2 4.06Å; V395-P401 WeakPolarHBondContact O-CA 3.41Å; V395-V402 HydrophobicContact CG1-CG2 4.15Å; V395-V402 WeakPolarHBondContact O-CG2 3.32Å; V395-V402 PolarHBondContact O-N 3.46Å; V395-M452 HydrophobicContact CG2-CG 4.21Å
396Y95.5Very high91.8Very high63 Ų6361.6 Ų61.625%0.24734%0.343CS..EExtended strand (participates in β ladder)trans-116.4142.4-177.9-70.2-101.7000111.2F382 T383 T385 E394 K400 P401F382-Y396 CarbonylContact C-O 3.54Å; F382-Y396 VanDerWaalsContact CA-O 3.25Å; F382-Y396 WeakPolarHBondContact CA-O 3.31Å; T383-Y396 PolarHBondContact N-O 3.14Å; T383-Y396 PolarHBondContact O-N 3.12Å; T385-Y396 HydrophobicContact CG2-CD2 3.9Å; T385-Y396 HydrophobicContact CG2-CE2 3.63Å; E394-Y396 HydrophobicContact CB-CD2 4.37Å; E394-Y396 HydrophobicContact CB-CE2 3.66Å; E394-Y396 PolarHBondContact OE2-OH 2.79Å; Y396-K400 CarbonylContact C-O 3.56Å; Y396-K400 WeakPolarHBondContact CA-O 3.41Å; Y396-K400 VanDerWaalsContact CD1-C 3.4Å; Y396-P401 HydrophobicContact CD1-CB 4.39Å; Y396-P401 HydrophobicContact CE1-CB 4.02Å; Y396-P401 HydrophobicContact CE1-CG 4.33Å
397Q94.2Very high92.1Very high40 Ų4062.4 Ų62.419%0.18734%0.338CS..EExtended strand (participates in β ladder)trans-124.4127.5166.3-169.9177.31800107.9F382 G399 K400 V402F382-Q397 HydrophobicContact CD1-CB 3.88Å; F382-Q397 HydrophobicContact CD1-CG 4.25Å; F382-Q397 HydrophobicContact CE1-CB 3.97Å; F382-Q397 HydrophobicContact CE1-CG 4.09Å; Q397-G399 PolarHBondContact O-N 2.96Å; Q397-G399 VanDerWaalsContact O-N 3.11Å; Q397-K400 PolarHBondContact N-O 3.37Å; Q397-K400 PolarHBondContact O-N 2.84Å; Q397-V402 HydrophobicContact CB-CG1 3.75Å; Q397-V402 HydrophobicContact CB-CG2 4.11Å
398D88.4Confident92.5Very high152 Ų15266.4 Ų66.481%0.81335%0.353SS*.THydrogen-bonded Turntrans49.238.6-177.5-55.7-40.2000113.8K400D398-K400 VanDerWaalsContact C-N 3.32Å; D398-K400 PolarHBondContact O-N 2.79Å
399G88.2Confident92.7Very high66 Ų6664.4 Ų64.468%0.6834%0.342SS*.THydrogen-bonded Turntrans77.65.6179.600000115.7Q397Q397-G399 PolarHBondContact O-N 2.96Å; Q397-G399 VanDerWaalsContact O-N 3.11Å
400K93.1Very high92.9Very high152 Ų15264.1 Ų64.166%0.66134%0.34SS*.EExtended strand (participates in β ladder)trans-112.7140.4176.7-64.8178.3-176173.70111.5Y396 Q397 D398Y396-K400 CarbonylContact C-O 3.56Å; Y396-K400 WeakPolarHBondContact CA-O 3.41Å; Y396-K400 VanDerWaalsContact CD1-C 3.4Å; Q397-K400 PolarHBondContact N-O 3.37Å; Q397-K400 PolarHBondContact O-N 2.84Å; D398-K400 VanDerWaalsContact C-N 3.32Å; D398-K400 PolarHBondContact O-N 2.79Å
401P93.8Very high93Very high83 Ų8364.5 Ų64.554%0.53934%0.341SS..EExtended strand (participates in β ladder)trans-66.9136.1176.528.6-33.3000109.8V395 Y396V395-P401 WeakPolarHBondContact O-CA 3.41Å; Y396-P401 HydrophobicContact CD1-CB 4.39Å; Y396-P401 HydrophobicContact CE1-CB 4.02Å; Y396-P401 HydrophobicContact CE1-CG 4.33Å
402V94.6Very high93.1Very high36 Ų3665.1 Ų65.122%0.21834%0.343CS..  trans-127.3147.5-177.7-67.40000111.5F382 V395 Q397 F407F382-V402 HydrophobicContact CD1-CG2 4.02Å; F382-V402 HydrophobicContact CE1-CG2 4.1Å; V395-V402 HydrophobicContact CG1-CG2 4.15Å; V395-V402 WeakPolarHBondContact O-CG2 3.32Å; V395-V402 PolarHBondContact O-N 3.46Å; Q397-V402 HydrophobicContact CB-CG1 3.75Å; Q397-V402 HydrophobicContact CB-CG2 4.11Å; V402-F407 HydrophobicContact CB-CE2 4.43Å
403K93.9Very high93.4Very high128 Ų12859 Ų5956%0.55732%0.315SS*.  trans-83.5116.7171.8-71.5-167.6174.5-164.30109.8S405 Q406K403-S405 PolarHBondContact O-N 3.09Å; K403-Q406 HydrophobicContact CB-CG 4.15Å; K403-Q406 WeakPolarHBondContact O-CB 3.48Å; K403-Q406 PolarHBondContact O-N 2.94Å
404C92.6Very high93.7Very high5 Ų557.5 Ų57.53%0.03430%0.3CS..G310 helixtrans-65.1-23.9-178.7-62.70000112.9Q406 F407 L410 M452 V454C404-Q406 PolarHBondContact O-N 2.99Å; C404-Q406 VanDerWaalsContact O-N 3.15Å; C404-F407 PolarHBondContact O-N 2.89Å; C404-F407 VanDerWaalsContact O-N 3.14Å; C404-L410 HydrophobicContact CB-CB 4.48Å; C404-L410 HydrophobicContact CB-CD1 3.96Å; C404-M452 HydrophobicContact CB-CB 4.18Å; C404-M452 HydrophobicContact CB-CE 4.45Å; C404-M452 WeakPolarHBondContact CB-O 3.25Å; C404-V454 HydrophobicContact CB-CG1 3.92Å
405S92.3Very high93.9Very high30 Ų3053.7 Ų53.721%0.2128%0.283CS..G310 helixtrans-61.1-18175.8570000114.1K403 F407 V454 D456K403-S405 PolarHBondContact O-N 3.09Å; S405-F407 VanDerWaalsContact C-N 3.32Å; S405-V454 WeakPolarHBondContact CA-O 3.18Å; S405-V454 WeakPolarHBondContact CB-O 3.31Å; S405-D456 WeakPolarHBondContact CB-OD2 3.44Å; S405-D456 PolarHBondContact OG-OD2 3.33Å
406Q92.6Very high94Very high138 Ų13853.4 Ų53.465%0.64528%0.282SS*.G310 helixtrans-78.6-15177.9-62.4178.3-700113.4K403 C404K403-Q406 HydrophobicContact CB-CG 4.15Å; K403-Q406 WeakPolarHBondContact O-CB 3.48Å; K403-Q406 PolarHBondContact O-N 2.94Å; C404-Q406 PolarHBondContact O-N 2.99Å; C404-Q406 VanDerWaalsContact O-N 3.15Å
407F93.7Very high94.1Very high50 Ų5050.4 Ų50.422%0.21927%0.27CS..  trans-113.4103.4-176.3-59.4-90.7000110I368 F382 V402 C404 S405 A409 L410 V411I368-F407 HydrophobicContact CD1-CB 4.27Å; I368-F407 HydrophobicContact CD1-CD1 4.4Å; F382-F407 HydrophobicContact CE1-CD2 4.43Å; F382-F407 HydrophobicContact CE1-CE2 4.08Å; F382-F407 HydrophobicContact CE1-CZ 4.13Å; F382-F407 HydrophobicContact CZ-CD1 4.23Å; F382-F407 HydrophobicContact CZ-CD2 4.41Å; F382-F407 HydrophobicContact CZ-CE1 4.15Å; F382-F407 HydrophobicContact CZ-CE2 4.34Å; F382-F407 HydrophobicContact CZ-CG 4.35Å; F382-F407 HydrophobicContact CZ-CZ 4.21Å; V402-F407 HydrophobicContact CB-CE2 4.43Å; C404-F407 PolarHBondContact O-N 2.89Å; C404-F407 VanDerWaalsContact O-N 3.14Å; S405-F407 VanDerWaalsContact C-N 3.32Å; F407-A409 PolarHBondContact O-N 2.86Å; F407-A409 VanDerWaalsContact O-N 3.16Å; F407-L410 HydrophobicContact CB-CB 3.98Å; F407-L410 HydrophobicContact CB-CD1 3.81Å; F407-L410 HydrophobicContact CB-CG 3.72Å; F407-L410 HydrophobicContact CD2-CD1 3.9Å; F407-L410 HydrophobicContact CG-CD1 4.05Å; F407-L410 HydrophobicContact CG-CG 4.41Å; F407-L410 WeakPolarHBondContact O-CA 3.42Å; F407-L410 WeakPolarHBondContact O-CB 3.49Å; F407-L410 PolarHBondContact O-N 2.94Å; F407-V411 PolarHBondContact O-N 2.87Å
408E93Very high94.2Very high113 Ų11348.6 Ų48.653%0.52826%0.261SS..Hα-helixtrans-52.9-39.4-179.7-67.1-68.1168.100113.3L410 V411 E412E408-L410 VanDerWaalsContact C-N 3.3Å; E408-L410 PolarHBondContact O-N 3.36Å; E408-V411 WeakPolarHBondContact O-CB 3.36Å; E408-V411 PolarHBondContact O-N 3.28Å; E408-V411 VanDerWaalsContact O-N 3.13Å; E408-E412 PolarHBondContact O-N 3.12Å; E408-E412 VanDerWaalsContact O-N 3.16Å
409A93.1Very high94.6Very high3 Ų341.5 Ų41.53%0.02522%0.224CC..Hα-helixtrans-68.2-27177.100000112.8I368 F407 L413I368-A409 HydrophobicContact CB-CB 4.24Å; I368-A409 HydrophobicContact CD1-CB 4.14Å; I368-A409 HydrophobicContact CG2-CB 4.36Å; F407-A409 PolarHBondContact O-N 2.86Å; F407-A409 VanDerWaalsContact O-N 3.16Å; A409-L413 VanDerWaalsContact O-CB 3.28Å; A409-L413 WeakPolarHBondContact O-CB 3.22Å; A409-L413 PolarHBondContact O-N 3.24Å
410L95.5Very high95Very high0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-71.7-32.2170.9-69.4-175.2000112M366 I368 F382 C404 F407 E408 L413 A414 M452M366-L410 HydrophobicContact CE-CD1 4.13Å; M366-L410 HydrophobicContact CE-CD2 3.68Å; M366-L410 HydrophobicContact SD-CD2 3.99Å; I368-L410 HydrophobicContact CD1-CD2 3.97Å; I368-L410 HydrophobicContact CD1-CG 3.85Å; I368-L410 HydrophobicContact CG2-CD2 3.73Å; F382-L410 HydrophobicContact CD2-CD2 4.32Å; F382-L410 HydrophobicContact CE1-CD1 4.13Å; F382-L410 HydrophobicContact CE2-CD1 4.19Å; F382-L410 HydrophobicContact CE2-CD2 4.11Å; F382-L410 HydrophobicContact CE2-CG 4.43Å; F382-L410 HydrophobicContact CZ-CD1 3.93Å; F382-L410 HydrophobicContact CZ-CG 4.5Å; C404-L410 HydrophobicContact CB-CB 4.48Å; C404-L410 HydrophobicContact CB-CD1 3.96Å; F407-L410 HydrophobicContact CB-CB 3.98Å; F407-L410 HydrophobicContact CB-CD1 3.81Å; F407-L410 HydrophobicContact CB-CG 3.72Å; F407-L410 HydrophobicContact CD2-CD1 3.9Å; F407-L410 HydrophobicContact CG-CD1 4.05Å; F407-L410 HydrophobicContact CG-CG 4.41Å; F407-L410 WeakPolarHBondContact O-CA 3.42Å; F407-L410 WeakPolarHBondContact O-CB 3.49Å; F407-L410 PolarHBondContact O-N 2.94Å; E408-L410 VanDerWaalsContact C-N 3.3Å; E408-L410 PolarHBondContact O-N 3.36Å; L410-L413 HydrophobicContact CD2-CD1 4.37Å; L410-L413 PolarHBondContact O-N 3.07Å; L410-A414 WeakPolarHBondContact O-CB 3.29Å; L410-A414 PolarHBondContact O-N 3.06Å; L410-M452 HydrophobicContact CB-CE 3.72Å; L410-M452 HydrophobicContact CD2-CE 4.02Å; L410-M452 HydrophobicContact CG-CE 4.29Å; L410-M452 VanDerWaalsContact O-CE 3.32Å; L410-M452 WeakPolarHBondContact O-CE 3.29Å
411V95.8Very high95Very high22 Ų2231.5 Ų31.513%0.13316%0.162CC..Hα-helixtrans-62-46.5172.8-174.90000109.9F407 E408 A414 T415 V454 F455F407-V411 PolarHBondContact O-N 2.87Å; E408-V411 WeakPolarHBondContact O-CB 3.36Å; E408-V411 PolarHBondContact O-N 3.28Å; E408-V411 VanDerWaalsContact O-N 3.13Å; V411-A414 PolarHBondContact O-N 3.35Å; V411-T415 WeakPolarHBondContact O-CB 3.47Å; V411-T415 PolarHBondContact O-N 3.36Å; V411-T415 PolarHBondContact O-OG1 3.31Å; V411-V454 HydrophobicContact CG1-CG2 4.28Å; V411-V454 HydrophobicContact CG2-CB 4.2Å; V411-F455 HydrophobicContact CG1-CE1 4.09Å; V411-F455 HydrophobicContact CG1-CE2 4.26Å; V411-F455 HydrophobicContact CG1-CZ 3.63Å
412E95.2Very high94.9Very high23 Ų2332.1 Ų32.111%0.10716%0.161CC..Hα-helixtrans-67-39.3175.9-166.4175.3-160.800111.8E408 T415 I416 R527 T564 V592E408-E412 PolarHBondContact O-N 3.12Å; E408-E412 VanDerWaalsContact O-N 3.16Å; E412-T415 WeakPolarHBondContact O-CA 3.45Å; E412-T415 WeakPolarHBondContact O-CB 3.31Å; E412-T415 PolarHBondContact O-N 3.41Å; E412-T415 VanDerWaalsContact O-N 3.13Å; E412-I416 WeakPolarHBondContact O-CG1 3.49Å; E412-I416 PolarHBondContact O-N 2.9Å; E412-R527 IonicContact OE1-CZ 3.85Å; E412-R527 IonicContact OE1-NE 3.44Å; E412-R527 IonicContact OE1-NH2 3.78Å; E412-R527 PolarHBondContact OE1-NH2 3.35Å; E412-R527 WeakPolarHBondContact OE2-CD 3.45Å; E412-R527 IonicContact OE2-CZ 2.75Å; E412-R527 IonicContact OE2-NE 3.61Å; E412-R527 PolarHBondContact OE2-NE 3.2Å; E412-R527 IonicContact OE2-NH2 3.2Å; E412-R527 PolarHBondContact OE2-NH2 2.74Å; E412-T564 HydrophobicContact CG-CG2 4.14Å; E412-T564 VanDerWaalsContact OE1-CG2 3.27Å; E412-T564 WeakPolarHBondContact OE1-CG2 3.45Å; E412-T564 PolarHBondContact OE1-OG1 2.92Å; E412-V592 HydrophobicContact CB-CG1 4.14Å; E412-V592 HydrophobicContact CG-CG1 4.25Å; E412-V592 HydrophobicContact CG-CG2 4.2Å
413L96.9Very high94.8Very high0 Ų030.8 Ų30.80%015%0.153CC..Hα-helixtrans-58.9-48.9175.3-170.8152.1000111.7M366 I368 A409 L410 T415 I416 C417 L448 M452 L562 V592 V595M366-L413 HydrophobicContact SD-CD2 4.15Å; I368-L413 HydrophobicContact CG2-CD1 3.8Å; A409-L413 VanDerWaalsContact O-CB 3.28Å; A409-L413 WeakPolarHBondContact O-CB 3.22Å; A409-L413 PolarHBondContact O-N 3.24Å; L410-L413 HydrophobicContact CD2-CD1 4.37Å; L410-L413 PolarHBondContact O-N 3.07Å; L413-T415 VanDerWaalsContact C-N 3.26Å; L413-T415 PolarHBondContact O-N 3.05Å; L413-I416 PolarHBondContact O-N 3.23Å; L413-C417 PolarHBondContact O-N 2.9Å; L413-C417 PolarHBondContact O-SG 2.86Å; L413-L448 HydrophobicContact CD2-CD2 4.26Å; L413-M452 HydrophobicContact CD2-CE 4.17Å; L413-M452 HydrophobicContact CD2-SD 4.18Å; L413-L562 HydrophobicContact CD1-CD1 4.27Å; L413-L562 HydrophobicContact CD2-CD1 3.99Å; L413-L562 HydrophobicContact CG-CD1 3.67Å; L413-V592 HydrophobicContact CB-CG1 4.31Å; L413-V595 HydrophobicContact CD1-CG1 4.5Å; L413-V595 HydrophobicContact CD2-CG1 3.97Å
414A97.1Very high94.8Very high0 Ų026.4 Ų26.40%014%0.138CC..Hα-helixtrans-62.2-35.9175.100000111.5L410 V411 C417 A418 V449 M452 V454 I475L410-A414 WeakPolarHBondContact O-CB 3.29Å; L410-A414 PolarHBondContact O-N 3.06Å; V411-A414 PolarHBondContact O-N 3.35Å; A414-C417 PolarHBondContact O-N 3.11Å; A414-A418 WeakPolarHBondContact O-CB 3.14Å; A414-A418 PolarHBondContact O-N 3.46Å; A414-V449 HydrophobicContact CB-CG2 4.33Å; A414-V449 WeakPolarHBondContact O-CG2 3.16Å; A414-M452 HydrophobicContact CB-CE 3.93Å; A414-M452 HydrophobicContact CB-SD 4.11Å; A414-V454 HydrophobicContact CB-CB 4.42Å; A414-V454 HydrophobicContact CB-CG1 3.65Å; A414-V454 HydrophobicContact CB-CG2 3.86Å; A414-I475 HydrophobicContact CB-CD1 4.28Å
415T96.4Very high94.9Very high18 Ų1826.2 Ų26.211%0.1114%0.137CC..Hα-helixtrans-63.4-43.9176.7-58.60000111.9V411 E412 L413 A418 L419 I475 F511V411-T415 WeakPolarHBondContact O-CB 3.47Å; V411-T415 PolarHBondContact O-N 3.36Å; V411-T415 PolarHBondContact O-OG1 3.31Å; E412-T415 WeakPolarHBondContact O-CA 3.45Å; E412-T415 WeakPolarHBondContact O-CB 3.31Å; E412-T415 PolarHBondContact O-N 3.41Å; E412-T415 VanDerWaalsContact O-N 3.13Å; L413-T415 VanDerWaalsContact C-N 3.26Å; L413-T415 PolarHBondContact O-N 3.05Å; T415-A418 PolarHBondContact O-N 2.81Å; T415-L419 HydrophobicContact CG2-CD1 3.56Å; T415-L419 HydrophobicContact CG2-CG 4.36Å; T415-L419 WeakPolarHBondContact O-CB 3.35Å; T415-L419 WeakPolarHBondContact O-CG 3.44Å; T415-L419 PolarHBondContact O-N 3.41Å; T415-I475 HydrophobicContact CG2-CG2 4.07Å; T415-F511 HydrophobicContact CG2-CE1 3.93Å; T415-F511 HydrophobicContact CG2-CE2 4.23Å; T415-F511 HydrophobicContact CG2-CZ 3.71Å
416I97.3Very high95Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-62-46.8174.4-60.6159.4000110E412 L413 A418 L419 C420 F511 L562 T564 V592E412-I416 WeakPolarHBondContact O-CG1 3.49Å; E412-I416 PolarHBondContact O-N 2.9Å; L413-I416 PolarHBondContact O-N 3.23Å; I416-A418 VanDerWaalsContact C-N 3.29Å; I416-A418 PolarHBondContact O-N 3.38Å; I416-L419 PolarHBondContact O-N 3.24Å; I416-C420 HydrophobicContact CG2-CB 4.19Å; I416-C420 WeakPolarHBondContact O-CA 3.49Å; I416-C420 WeakPolarHBondContact O-CB 3.27Å; I416-C420 PolarHBondContact O-N 2.8Å; I416-F511 HydrophobicContact CB-CB 4.47Å; I416-F511 HydrophobicContact CG1-CB 4.18Å; I416-F511 HydrophobicContact CG1-CD1 3.68Å; I416-F511 HydrophobicContact CG1-CG 4.32Å; I416-F511 HydrophobicContact CG2-CB 4.29Å; I416-L562 HydrophobicContact CD1-CB 3.85Å; I416-L562 HydrophobicContact CG2-CB 4.14Å; I416-L562 HydrophobicContact CG2-CD2 3.81Å; I416-L562 HydrophobicContact CG2-CG 4.45Å; I416-T564 HydrophobicContact CD1-CG2 3.59Å; I416-T564 HydrophobicContact CG1-CG2 3.76Å; I416-V592 HydrophobicContact CD1-CB 3.9Å; I416-V592 HydrophobicContact CD1-CG1 4.16Å; I416-V592 HydrophobicContact CD1-CG2 3.89Å
417C97.3Very high95Very high0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-61.2-34.3-179.1-690000113.4L413 A414 N421 L445 V449 L562L413-C417 PolarHBondContact O-N 2.9Å; L413-C417 PolarHBondContact O-SG 2.86Å; A414-C417 PolarHBondContact O-N 3.11Å; C417-N421 VanDerWaalsContact O-CB 3.3Å; C417-N421 WeakPolarHBondContact O-CB 3.38Å; C417-N421 PolarHBondContact O-ND2 3.36Å; C417-L445 HydrophobicContact CB-CB 4.04Å; C417-V449 HydrophobicContact CB-CG2 3.54Å; C417-L562 VanDerWaalsContact SG-CD1 3.59Å
418A96.9Very high94.8Very high1 Ų122.1 Ų22.11%0.00812%0.118CC..Hα-helixtrans-83.2-38.2-179.600000113.7A414 T415 I416 V449 N472 I475A414-A418 WeakPolarHBondContact O-CB 3.14Å; A414-A418 PolarHBondContact O-N 3.46Å; T415-A418 PolarHBondContact O-N 2.81Å; I416-A418 VanDerWaalsContact C-N 3.29Å; I416-A418 PolarHBondContact O-N 3.38Å; A418-V449 HydrophobicContact CB-CG1 4.27Å; A418-V449 HydrophobicContact CB-CG2 4.13Å; A418-N472 WeakPolarHBondContact CA-OD1 3.25Å; A418-N472 WeakPolarHBondContact CB-OD1 3.43Å; A418-I475 HydrophobicContact CB-CB 4.03Å; A418-I475 HydrophobicContact CB-CD1 3.73Å; A418-I475 HydrophobicContact CB-CG1 4.49Å; A418-I475 HydrophobicContact CB-CG2 3.83Å
419L96.3Very high94.6Very high4 Ų423.8 Ų23.82%0.02113%0.126CC..Hα-helixtrans-92.1-43.3-173.2-64.4174.3000112.8T415 I416 N421 I475 K476 M479 V496 F511T415-L419 HydrophobicContact CG2-CD1 3.56Å; T415-L419 HydrophobicContact CG2-CG 4.36Å; T415-L419 WeakPolarHBondContact O-CB 3.35Å; T415-L419 WeakPolarHBondContact O-CG 3.44Å; T415-L419 PolarHBondContact O-N 3.41Å; I416-L419 PolarHBondContact O-N 3.24Å; L419-N421 PolarHBondContact O-N 3.2Å; L419-I475 HydrophobicContact CD1-CG2 4.29Å; L419-I475 HydrophobicContact CD2-CG2 4.26Å; L419-I475 HydrophobicContact CG-CG2 3.99Å; L419-K476 HydrophobicContact CD2-CG 4.1Å; L419-M479 HydrophobicContact CD1-CB 3.6Å; L419-M479 HydrophobicContact CD1-CG 3.94Å; L419-M479 HydrophobicContact CD2-CB 4.39Å; L419-V496 HydrophobicContact CB-CG2 4.19Å; L419-F511 HydrophobicContact CB-CD2 4.2Å; L419-F511 HydrophobicContact CD1-CD2 3.74Å; L419-F511 HydrophobicContact CD1-CE2 3.38Å; L419-F511 HydrophobicContact CD1-CZ 4.12Å
420C96.6Very high94.3Very high0 Ų030.4 Ų30.40%017%0.166CC..SBendtrans-8058175.9-163.40000109I416 M494 V496 F511 K513I416-C420 HydrophobicContact CG2-CB 4.19Å; I416-C420 WeakPolarHBondContact O-CA 3.49Å; I416-C420 WeakPolarHBondContact O-CB 3.27Å; I416-C420 PolarHBondContact O-N 2.8Å; C420-M494 PolarHBondContact SG-O 2.8Å; C420-V496 HydrophobicContact CB-CG1 4.48Å; C420-V496 HydrophobicContact CB-CG2 3.87Å; C420-F511 HydrophobicContact CB-CB 4.23Å; C420-F511 PolarHBondContact SG-O 3.45Å; C420-F511 VanDerWaalsContact SG-O 3.42Å; C420-K513 HydrophobicContact CB-CD 4.47Å; C420-K513 WeakPolarHBondContact O-CD 3.29Å; C420-K513 WeakPolarHBondContact O-CE 3.49Å; C420-K513 PolarHBondContact O-NZ 3Å
421N94.8Very high93.5Very high7 Ų736.9 Ų36.94%0.03719%0.194CC..  trans-156.6136.4-169.6-161.7-33.1000109.3C417 L419 S423 E442 T446 K481C417-N421 VanDerWaalsContact O-CB 3.3Å; C417-N421 WeakPolarHBondContact O-CB 3.38Å; C417-N421 PolarHBondContact O-ND2 3.36Å; L419-N421 PolarHBondContact O-N 3.2Å; N421-S423 WeakPolarHBondContact OD1-CA 3.32Å; N421-S423 WeakPolarHBondContact OD1-CB 3.47Å; N421-S423 PolarHBondContact OD1-N 3.22Å; N421-S423 PolarHBondContact OD1-O 3.44Å; N421-E442 PolarHBondContact ND2-O 3.18Å; N421-E442 WeakPolarHBondContact OD1-CB 3.43Å; N421-E442 PolarHBondContact OD1-OE2 3.05Å; N421-T446 PolarHBondContact ND2-OG1 2.98Å; N421-T446 VanDerWaalsContact ND2-OG1 3.13Å; N421-K481 PolarHBondContact O-NZ 3.23Å; N421-K481 VanDerWaalsContact O-NZ 3.09Å
422D90.8Very high93.1Very high97 Ų9737.6 Ų37.652%0.51921%0.206SC..  trans-113.4-3.9176.3-63.3-34.1000111.9E442 K481D422-E442 PolarHBondContact N-OE2 3.3Å; D422-K481 IonicContact OD1-NZ 3.81Å; D422-K481 PolarHBondContact OD1-NZ 3.02Å
423S92.3Very high92.7Very high7 Ų740 Ų405%0.04922%0.222CC..  trans-92.1161.5174.5-70.10000113.8N421 V437 G438 E439 E442 T443 T446N421-S423 WeakPolarHBondContact OD1-CA 3.32Å; N421-S423 WeakPolarHBondContact OD1-CB 3.47Å; N421-S423 PolarHBondContact OD1-N 3.22Å; N421-S423 PolarHBondContact OD1-O 3.44Å; S423-V437 CarbonylContact C-O 3.54Å; S423-V437 WeakPolarHBondContact CA-O 3.37Å; S423-V437 WeakPolarHBondContact CB-O 3.26Å; S423-V437 PolarHBondContact OG-O 3.22Å; S423-G438 WeakPolarHBondContact OG-CA 3.17Å; S423-E439 PolarHBondContact OG-N 2.74Å; S423-E439 PolarHBondContact OG-O 2.86Å; S423-E442 PolarHBondContact N-OE2 2.9Å; S423-E442 VanDerWaalsContact OG-CB 3.3Å; S423-E442 WeakPolarHBondContact OG-CB 3.41Å; S423-T443 WeakPolarHBondContact CB-OG1 3.3Å; S423-T446 PolarHBondContact O-OG1 3.4Å
424S93.6Very high92.5Very high36 Ų3641 Ų4125%0.25223%0.226SC..EExtended strand (participates in β ladder)trans-140.7172.2171.659.80000111.9V437S424-V437 PolarHBondContact N-O 2.94Å; S424-V437 PolarHBondContact O-N 3.45Å
425L94.4Very high92Very high2 Ų243.6 Ų43.61%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-97.1146.2166.6-72.8170.3000109.4Y389 T443 T446 C447 E450 A468 N469Y389-L425 HydrophobicContact CD1-CD2 4.42Å; Y389-L425 HydrophobicContact CG-CD2 4.28Å; Y389-L425 WeakPolarHBondContact O-CD2 3.42Å; L425-T443 HydrophobicContact CD2-CG2 3.39Å; L425-T443 HydrophobicContact CG-CG2 4.09Å; L425-T446 HydrophobicContact CD1-CG2 4.3Å; L425-T446 HydrophobicContact CG-CG2 4.11Å; L425-C447 HydrophobicContact CD1-CB 4.07Å; L425-E450 HydrophobicContact CD1-CG 4.36Å; L425-A468 HydrophobicContact CB-CB 4.15Å; L425-A468 WeakPolarHBondContact CB-O 3.22Å; L425-A468 WeakPolarHBondContact CD1-O 3.32Å; L425-N469 PolarHBondContact N-OD1 3.35Å; L425-N469 VanDerWaalsContact N-OD1 3.15Å; L425-N469 PolarHBondContact O-ND2 3.29Å
426D94.4Very high91.7Very high74 Ų7446.1 Ų46.140%0.39625%0.248SC..EExtended strand (participates in β ladder)trans-131.6147.1170.7-176.943.1000109.4Y434 E435 V437D426-Y434 CarbonylContact O-C 3.6Å; D426-Y434 VanDerWaalsContact O-CA 3.32Å; D426-Y434 WeakPolarHBondContact O-CA 3.18Å; D426-E435 PolarHBondContact N-O 3.48Å; D426-E435 PolarHBondContact O-N 3Å; D426-V437 HydrophobicContact CB-CG2 3.66Å
427F93.4Very high91.3Very high23 Ų2349.5 Ų49.510%0.10127%0.268CS..EExtended strand (participates in β ladder)trans-103.8109.4175.3-178.3-100.9000109.1E429 G432 Y434 K464 I465F427-E429 HydrophobicContact CD1-CG 4.24Å; F427-E429 HydrophobicContact CE1-CG 4.36Å; F427-E429 PolarHBondContact O-N 3.25Å; F427-G432 WeakPolarHBondContact CE2-O 3.48Å; F427-Y434 HydrophobicContact CB-CD1 4.07Å; F427-Y434 HydrophobicContact CB-CE1 3.93Å; F427-Y434 AromaticContact CD2-CD1 3.99Å; F427-Y434 HydrophobicContact CD2-CD1 3.99Å; F427-Y434 AromaticContact CD2-CD2 3.96Å; F427-Y434 HydrophobicContact CD2-CD2 3.96Å; F427-Y434 AromaticContact CD2-CE1 3.86Å; F427-Y434 HydrophobicContact CD2-CE1 3.86Å; F427-Y434 AromaticContact CD2-CE2 3.85Å; F427-Y434 HydrophobicContact CD2-CE2 3.85Å; F427-Y434 HydrophobicContact CD2-CG 4.04Å; F427-Y434 AromaticContact CD2-CZ 3.79Å; F427-Y434 HydrophobicContact CE2-CD2 4.41Å; F427-Y434 HydrophobicContact CE2-CE2 4.23Å; F427-Y434 HydrophobicContact CG-CE1 4.28Å; F427-K464 HydrophobicContact CD1-CB 3.86Å; F427-K464 HydrophobicContact CD2-CB 4.01Å; F427-K464 HydrophobicContact CD2-CD 4.38Å; F427-K464 HydrophobicContact CE1-CB 3.9Å; F427-K464 HydrophobicContact CE1-CD 4.04Å; F427-K464 HydrophobicContact CE2-CB 4.06Å; F427-K464 HydrophobicContact CE2-CD 3.63Å; F427-K464 HydrophobicContact CE2-CG 4.47Å; F427-K464 HydrophobicContact CG-CB 3.91Å; F427-K464 HydrophobicContact CZ-CB 4.01Å; F427-K464 HydrophobicContact CZ-CD 3.42Å; F427-K464 VanDerWaalsContact CZ-CD 3.42Å; F427-K464 HydrophobicContact CZ-CG 4.37Å; F427-I465 HydrophobicContact CB-CG1 4.29Å; F427-I465 HydrophobicContact CD1-CG1 3.94Å
428N89.3Confident90.8Very high34 Ų3452 Ų5218%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-79.4105.5179.5-172.1-43.4000109.6V430 K431 G432 V433 E435N428-V430 VanDerWaalsContact C-N 3.27Å; N428-V430 PolarHBondContact O-N 3.44Å; N428-V430 WeakPolarHBondContact OD1-CB 3.5Å; N428-V430 PolarHBondContact OD1-N 2.84Å; N428-V430 VanDerWaalsContact OD1-N 3.08Å; N428-K431 HydrophobicContact CB-CB 4.32Å; N428-K431 PolarHBondContact O-N 3.04Å; N428-K431 PolarHBondContact OD1-N 3.3Å; N428-G432 WeakPolarHBondContact O-CA 3.19Å; N428-G432 PolarHBondContact O-N 3.39Å; N428-V433 PolarHBondContact N-O 3.22Å; N428-V433 PolarHBondContact O-N 2.92Å; N428-E435 HydrophobicContact CB-CG 4.04Å; N428-E435 WeakPolarHBondContact CB-OE2 3.29Å; N428-E435 PolarHBondContact ND2-OE2 3.37Å
429E90.2Very high90Very high149 Ų14954 Ų5470%0.69630%0.303SS*.THydrogen-bonded Turntrans-62.6-32.2-178-65.9-172.7104.700113.3F427 I465F427-E429 HydrophobicContact CD1-CG 4.24Å; F427-E429 HydrophobicContact CE1-CG 4.36Å; F427-E429 PolarHBondContact O-N 3.25Å; E429-I465 HydrophobicContact CG-CD1 3.99Å; E429-I465 HydrophobicContact CG-CG1 4.47Å
430V85.3Confident89.5Confident141 Ų14154.1 Ų54.186%0.85530%0.304SS*.THydrogen-bonded Turntrans-70.9-44.2-178.7-179.20000110.6N428N428-V430 VanDerWaalsContact C-N 3.27Å; N428-V430 PolarHBondContact O-N 3.44Å; N428-V430 WeakPolarHBondContact OD1-CB 3.5Å; N428-V430 PolarHBondContact OD1-N 2.84Å; N428-V430 VanDerWaalsContact OD1-N 3.08Å
431K78.4Confident89.2Confident136 Ų13654.5 Ų54.559%0.59131%0.307SS*.THydrogen-bonded Turntrans-85.9-17.8179.2-64.2-177.6-176.2174.30113.2N428 V433 E435N428-K431 HydrophobicContact CB-CB 4.32Å; N428-K431 PolarHBondContact O-N 3.04Å; N428-K431 PolarHBondContact OD1-N 3.3Å; K431-V433 VanDerWaalsContact C-N 3.3Å; K431-V433 HydrophobicContact CB-CG2 3.79Å; K431-V433 HydrophobicContact CD-CG2 4.49Å; K431-V433 PolarHBondContact O-N 2.97Å; K431-E435 VanDerWaalsContact CD-OE1 3.26Å; K431-E435 WeakPolarHBondContact CD-OE1 3.45Å; K431-E435 WeakPolarHBondContact CE-OE1 3.39Å; K431-E435 IonicContact NZ-OE1 3.36Å; K431-E435 PolarHBondContact NZ-OE1 3.38Å
432G87.3Confident89.1Confident38 Ų3854.8 Ų54.839%0.39231%0.308SS..THydrogen-bonded Turntrans69.720.9-177.200000114.7F427 N428F427-G432 WeakPolarHBondContact CE2-O 3.48Å; N428-G432 WeakPolarHBondContact O-CA 3.19Å; N428-G432 PolarHBondContact O-N 3.39Å
433V88.1Confident89.2Confident72 Ų7250.1 Ų50.144%0.43628%0.283SS..EExtended strand (participates in β ladder)trans-128.9155.5-175.1-61.60000112.3N428 K431 E435N428-V433 PolarHBondContact N-O 3.22Å; N428-V433 PolarHBondContact O-N 2.92Å; K431-V433 VanDerWaalsContact C-N 3.3Å; K431-V433 HydrophobicContact CB-CG2 3.79Å; K431-V433 HydrophobicContact CD-CG2 4.49Å; K431-V433 PolarHBondContact O-N 2.97Å; V433-E435 HydrophobicContact CG2-CG 4.19Å
434Y91.4Very high89.4Confident21 Ų2149.9 Ų49.98%0.08228%0.281CS..EExtended strand (participates in β ladder)trans-78.7122171.2-70-86.2000110.2A390 P391 D426 F427 K464 A468A390-Y434 HydrophobicContact CB-CD2 3.65Å; A390-Y434 HydrophobicContact CB-CE2 4.24Å; A390-Y434 HydrophobicContact CB-CG 4.41Å; P391-Y434 HydrophobicContact CG-CE1 4.14Å; P391-Y434 HydrophobicContact CG-CE2 4.4Å; D426-Y434 CarbonylContact O-C 3.6Å; D426-Y434 VanDerWaalsContact O-CA 3.32Å; D426-Y434 WeakPolarHBondContact O-CA 3.18Å; F427-Y434 HydrophobicContact CB-CD1 4.07Å; F427-Y434 HydrophobicContact CB-CE1 3.93Å; F427-Y434 AromaticContact CD2-CD1 3.99Å; F427-Y434 HydrophobicContact CD2-CD1 3.99Å; F427-Y434 AromaticContact CD2-CD2 3.96Å; F427-Y434 HydrophobicContact CD2-CD2 3.96Å; F427-Y434 AromaticContact CD2-CE1 3.86Å; F427-Y434 HydrophobicContact CD2-CE1 3.86Å; F427-Y434 AromaticContact CD2-CE2 3.85Å; F427-Y434 HydrophobicContact CD2-CE2 3.85Å; F427-Y434 HydrophobicContact CD2-CG 4.04Å; F427-Y434 AromaticContact CD2-CZ 3.79Å; F427-Y434 HydrophobicContact CE2-CD2 4.41Å; F427-Y434 HydrophobicContact CE2-CE2 4.23Å; F427-Y434 HydrophobicContact CG-CE1 4.28Å; Y434-K464 VanDerWaalsContact CE1-O 3.27Å; Y434-K464 WeakPolarHBondContact CE1-O 3.44Å; Y434-K464 WeakPolarHBondContact OH-CA 3.49Å; Y434-K464 WeakPolarHBondContact OH-CB 3.47Å; Y434-K464 PolarHBondContact OH-O 3.21Å; Y434-A468 HydrophobicContact CD1-CB 4.18Å; Y434-A468 HydrophobicContact CE1-CB 3.89Å
435E88.1Confident89.6Confident56 Ų5648.1 Ų48.126%0.26227%0.269SS..EExtended strand (participates in β ladder)trans-107.1155178.6-64.9-169.4137.800111D426 N428 K431 V433D426-E435 PolarHBondContact N-O 3.48Å; D426-E435 PolarHBondContact O-N 3Å; N428-E435 HydrophobicContact CB-CG 4.04Å; N428-E435 WeakPolarHBondContact CB-OE2 3.29Å; N428-E435 PolarHBondContact ND2-OE2 3.37Å; K431-E435 VanDerWaalsContact CD-OE1 3.26Å; K431-E435 WeakPolarHBondContact CD-OE1 3.45Å; K431-E435 WeakPolarHBondContact CE-OE1 3.39Å; K431-E435 IonicContact NZ-OE1 3.36Å; K431-E435 PolarHBondContact NZ-OE1 3.38Å; V433-E435 HydrophobicContact CG2-CG 4.19Å
436K90.4Very high89.7Confident71 Ų7148.1 Ų48.131%0.30927%0.269SS..EExtended strand (participates in β ladder)trans-79.5141.317362.1170-175.5167.50110.5Y389 A440 T443Y389-K436 HydrophobicContact CD2-CB 4.19Å; Y389-K436 HydrophobicContact CE2-CB 3.89Å; Y389-K436 HydrophobicContact CE2-CD 4.18Å; Y389-K436 HydrophobicContact CE2-CG 4.16Å; K436-A440 HydrophobicContact CD-CB 4.27Å; K436-T443 HydrophobicContact CB-CG2 3.7Å
437V88.8Confident89.8Confident70 Ų7044.8 Ų44.842%0.42425%0.251SS..EExtended strand (participates in β ladder)trans-117.2111.7162.9-178.50000107.2S423 S424 D426S423-V437 CarbonylContact C-O 3.54Å; S423-V437 WeakPolarHBondContact CA-O 3.37Å; S423-V437 WeakPolarHBondContact CB-O 3.26Å; S423-V437 PolarHBondContact OG-O 3.22Å; S424-V437 PolarHBondContact N-O 2.94Å; S424-V437 PolarHBondContact O-N 3.45Å; D426-V437 HydrophobicContact CB-CG2 3.66Å
438G85.5Confident90Very high52 Ų5243.8 Ų43.854%0.53625%0.247SC..SBendtrans100.5-149.7-174.600000113.7S423S423-G438 WeakPolarHBondContact OG-CA 3.17Å
439E81.1Confident90.4Very high44 Ų4442.3 Ų42.321%0.20624%0.239CC..  trans-79.4138.9-175.8-62-156.8143.300113.1R174 S186 S423 T441 E442 T443R174-E439 IonicContact CZ-OE1 2.57Å; R174-E439 IonicContact NH1-OE1 2.75Å; R174-E439 PolarHBondContact NH1-OE1 3.27Å; R174-E439 IonicContact NH1-OE2 3.84Å; R174-E439 PolarHBondContact NH1-OE2 3Å; S186-E439 PolarHBondContact OG-OE1 3.18Å; S423-E439 PolarHBondContact OG-N 2.74Å; S423-E439 PolarHBondContact OG-O 2.86Å; E439-T441 VanDerWaalsContact C-N 3.3Å; E439-T441 PolarHBondContact O-N 3.43Å; E439-E442 HydrophobicContact CB-CB 4.38Å; E439-E442 HydrophobicContact CB-CG 4.25Å; E439-E442 PolarHBondContact O-N 3.3Å; E439-T443 PolarHBondContact O-N 3.22Å; E439-T443 PolarHBondContact O-OG1 3.06Å; E439-T443 VanDerWaalsContact O-OG1 3.09Å
440A85.8Confident90.7Very high6 Ų635.2 Ų35.25%0.0521%0.206CC..Hα-helixtrans-55.4-42.6-179.900000113.1V185 M361 Y389 K436 E442 A444V185-A440 HydrophobicContact CG2-CB 4.49Å; M361-A440 HydrophobicContact CB-CB 4.04Å; Y389-A440 VanDerWaalsContact OH-CA 3.32Å; Y389-A440 WeakPolarHBondContact OH-CA 3.47Å; Y389-A440 WeakPolarHBondContact OH-CB 3.24Å; K436-A440 HydrophobicContact CD-CB 4.27Å; A440-E442 VanDerWaalsContact C-N 3.32Å; A440-E442 PolarHBondContact O-N 3.18Å; A440-A444 WeakPolarHBondContact O-CB 3.32Å; A440-A444 PolarHBondContact O-N 3.21Å
441T89.1Confident91.2Very high9 Ų929.5 Ų29.56%0.05517%0.17CC..Hα-helixtrans-61-40.1177.2-64.60000112.2E439 A444 R558 L560 M597E439-T441 VanDerWaalsContact C-N 3.3Å; E439-T441 PolarHBondContact O-N 3.43Å; T441-A444 WeakPolarHBondContact O-CB 3.15Å; T441-R558 PolarHBondContact OG1-NH1 3.24Å; T441-L560 HydrophobicContact CG2-CD1 3.78Å; T441-M597 HydrophobicContact CG2-CE 4.08Å; T441-M597 HydrophobicContact CG2-SD 3.71Å
442E92.5Very high92.1Very high12 Ų1223.4 Ų23.46%0.05614%0.143CC..Hα-helixtrans-79.5-38.8-178.3-65.4-156.5164.200111.8N421 D422 S423 E439 A440 A444 L445 T446 M494 K513N421-E442 PolarHBondContact ND2-O 3.18Å; N421-E442 WeakPolarHBondContact OD1-CB 3.43Å; N421-E442 PolarHBondContact OD1-OE2 3.05Å; D422-E442 PolarHBondContact N-OE2 3.3Å; S423-E442 PolarHBondContact N-OE2 2.9Å; S423-E442 VanDerWaalsContact OG-CB 3.3Å; S423-E442 WeakPolarHBondContact OG-CB 3.41Å; E439-E442 HydrophobicContact CB-CB 4.38Å; E439-E442 HydrophobicContact CB-CG 4.25Å; E439-E442 PolarHBondContact O-N 3.3Å; A440-E442 VanDerWaalsContact C-N 3.32Å; A440-E442 PolarHBondContact O-N 3.18Å; E442-A444 PolarHBondContact O-N 3.19Å; E442-L445 WeakPolarHBondContact O-CA 3.5Å; E442-L445 VanDerWaalsContact O-CB 3.32Å; E442-L445 WeakPolarHBondContact O-CB 3.4Å; E442-L445 PolarHBondContact O-N 3.3Å; E442-T446 PolarHBondContact O-N 3.03Å; E442-T446 PolarHBondContact O-OG1 3.29Å; E442-M494 WeakPolarHBondContact OE1-CE 3.46Å; E442-K513 WeakPolarHBondContact OE1-CE 3.33Å; E442-K513 IonicContact OE1-NZ 2.71Å; E442-K513 PolarHBondContact OE1-NZ 2.82Å; E442-K513 IonicContact OE2-NZ 2.8Å
443T94.7Very high92.5Very high0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-61.5-34.3172.7-54.10000111.8Y389 S423 L425 K436 E439 L445 T446 C447Y389-T443 HydrophobicContact CD1-CG2 3.62Å; Y389-T443 HydrophobicContact CE1-CG2 3.77Å; Y389-T443 HydrophobicContact CG-CG2 4.13Å; S423-T443 WeakPolarHBondContact CB-OG1 3.3Å; L425-T443 HydrophobicContact CD2-CG2 3.39Å; L425-T443 HydrophobicContact CG-CG2 4.09Å; K436-T443 HydrophobicContact CB-CG2 3.7Å; E439-T443 PolarHBondContact O-N 3.22Å; E439-T443 PolarHBondContact O-OG1 3.06Å; E439-T443 VanDerWaalsContact O-OG1 3.09Å; T443-L445 PolarHBondContact O-N 2.91Å; T443-T446 WeakPolarHBondContact O-CB 3.39Å; T443-T446 PolarHBondContact O-N 3.04Å; T443-T446 VanDerWaalsContact O-N 3.16Å; T443-C447 WeakPolarHBondContact O-CB 3.36Å; T443-C447 PolarHBondContact O-N 3.42Å
444A95.3Very high92.9Very high1 Ų119.9 Ų19.91%0.00811%0.113CC..Hα-helixtrans-59-37.3172.700000112.2M361 V363 A440 T441 E442 L448 M597M361-A444 HydrophobicContact CB-CB 4.16Å; M361-A444 HydrophobicContact CG-CB 3.89Å; M361-A444 WeakPolarHBondContact O-CB 3.26Å; V363-A444 HydrophobicContact CG2-CB 4.23Å; A440-A444 WeakPolarHBondContact O-CB 3.32Å; A440-A444 PolarHBondContact O-N 3.21Å; T441-A444 WeakPolarHBondContact O-CB 3.15Å; E442-A444 PolarHBondContact O-N 3.19Å; A444-L448 WeakPolarHBondContact O-CB 3.41Å; A444-L448 PolarHBondContact O-N 3.39Å; A444-M597 HydrophobicContact CB-SD 4.18Å
445L97.1Very high93.1Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-70.5-40.4174.8-56.3178.8000111.3V363 C417 E442 T443 C447 L448 V449 K513 L560 V595 M597V363-L445 HydrophobicContact CG2-CD2 4.26Å; C417-L445 HydrophobicContact CB-CB 4.04Å; E442-L445 WeakPolarHBondContact O-CA 3.5Å; E442-L445 VanDerWaalsContact O-CB 3.32Å; E442-L445 WeakPolarHBondContact O-CB 3.4Å; E442-L445 PolarHBondContact O-N 3.3Å; T443-L445 PolarHBondContact O-N 2.91Å; L445-C447 VanDerWaalsContact C-N 3.33Å; L445-C447 PolarHBondContact O-N 3.15Å; L445-L448 WeakPolarHBondContact O-CB 3.5Å; L445-L448 PolarHBondContact O-N 2.79Å; L445-V449 WeakPolarHBondContact O-CG2 3.45Å; L445-V449 PolarHBondContact O-N 2.85Å; L445-K513 HydrophobicContact CD1-CD 3.97Å; L445-L560 HydrophobicContact CD1-CD1 4.34Å; L445-V595 HydrophobicContact CD2-CG2 3.76Å; L445-M597 HydrophobicContact CD2-CE 3.76Å; L445-M597 HydrophobicContact CG-CE 4.35Å
446T97.1Very high93.3Very high2 Ų224.5 Ų24.51%0.01214%0.138CC..Hα-helixtrans-58.7-47.4174.3-51.80000110.5N421 S423 L425 E442 T443 V449 E450 N472N421-T446 PolarHBondContact ND2-OG1 2.98Å; N421-T446 VanDerWaalsContact ND2-OG1 3.13Å; S423-T446 PolarHBondContact O-OG1 3.4Å; L425-T446 HydrophobicContact CD1-CG2 4.3Å; L425-T446 HydrophobicContact CG-CG2 4.11Å; E442-T446 PolarHBondContact O-N 3.03Å; E442-T446 PolarHBondContact O-OG1 3.29Å; T443-T446 WeakPolarHBondContact O-CB 3.39Å; T443-T446 PolarHBondContact O-N 3.04Å; T443-T446 VanDerWaalsContact O-N 3.16Å; T446-V449 WeakPolarHBondContact O-CB 3.28Å; T446-V449 PolarHBondContact O-N 3.3Å; T446-E450 PolarHBondContact O-N 3.25Å; T446-N472 WeakPolarHBondContact CG2-ND2 3.48Å; T446-N472 PolarHBondContact O-ND2 3.04Å
447C96.7Very high93.5Very high4 Ų423 Ų233%0.02713%0.134CC..Hα-helixtrans-62.7-41.5176.4-172.50000112.2Y389 A390 L425 T443 L445 V449 E450 K451Y389-C447 PolarHBondContact O-SG 3.47Å; Y389-C447 VanDerWaalsContact O-SG 3.37Å; A390-C447 PolarHBondContact O-SG 3.49Å; L425-C447 HydrophobicContact CD1-CB 4.07Å; T443-C447 WeakPolarHBondContact O-CB 3.36Å; T443-C447 PolarHBondContact O-N 3.42Å; L445-C447 VanDerWaalsContact C-N 3.33Å; L445-C447 PolarHBondContact O-N 3.15Å; C447-V449 VanDerWaalsContact C-N 3.32Å; C447-V449 PolarHBondContact O-N 3.04Å; C447-E450 PolarHBondContact O-N 3.38Å; C447-K451 WeakPolarHBondContact O-CG 3.43Å; C447-K451 PolarHBondContact O-N 2.94Å; C447-K451 VanDerWaalsContact SG-CE 3.56Å
448L97.5Very high93.7Very high2 Ų227 Ų271%0.0115%0.149CC..Hα-helixtrans-56.6-45.8174.3174.768.7000111.4V363 M366 I384 L413 A444 L445 E450 K451 M452 V595V363-L448 HydrophobicContact CB-CB 4.25Å; V363-L448 HydrophobicContact CB-CD1 4.15Å; V363-L448 HydrophobicContact CB-CD2 4.31Å; V363-L448 HydrophobicContact CB-CG 4.46Å; V363-L448 HydrophobicContact CG1-CD1 4.05Å; V363-L448 HydrophobicContact CG1-CD2 4.03Å; V363-L448 HydrophobicContact CG2-CB 4.07Å; V363-L448 HydrophobicContact CG2-CD2 4.15Å; M366-L448 HydrophobicContact SD-CD1 4.35Å; I384-L448 HydrophobicContact CD1-CD1 4.24Å; I384-L448 HydrophobicContact CG1-CD1 3.91Å; I384-L448 HydrophobicContact CG2-CD1 4.36Å; L413-L448 HydrophobicContact CD2-CD2 4.26Å; A444-L448 WeakPolarHBondContact O-CB 3.41Å; A444-L448 PolarHBondContact O-N 3.39Å; L445-L448 WeakPolarHBondContact O-CB 3.5Å; L445-L448 PolarHBondContact O-N 2.79Å; L448-E450 VanDerWaalsContact C-N 3.3Å; L448-E450 PolarHBondContact O-N 3.42Å; L448-K451 PolarHBondContact O-N 2.8Å; L448-K451 VanDerWaalsContact O-N 3.14Å; L448-M452 HydrophobicContact CD1-CG 3.98Å; L448-M452 HydrophobicContact CD1-SD 3.99Å; L448-M452 HydrophobicContact CD2-SD 4.06Å; L448-M452 HydrophobicContact CG-CG 4.15Å; L448-M452 HydrophobicContact CG-SD 3.68Å; L448-M452 VanDerWaalsContact O-CG 3.27Å; L448-M452 WeakPolarHBondContact O-CG 3.46Å; L448-M452 PolarHBondContact O-N 3.14Å; L448-V595 HydrophobicContact CD2-CG1 3.83Å
449V97.8Very high94Very high2 Ų225.3 Ų25.31%0.01213%0.128CC..Hα-helixtrans-60.4-41.4179169.90000111.4A414 C417 A418 L445 T446 C447 K451 M452 N453 C471 N472 I475A414-V449 HydrophobicContact CB-CG2 4.33Å; A414-V449 WeakPolarHBondContact O-CG2 3.16Å; C417-V449 HydrophobicContact CB-CG2 3.54Å; A418-V449 HydrophobicContact CB-CG1 4.27Å; A418-V449 HydrophobicContact CB-CG2 4.13Å; L445-V449 WeakPolarHBondContact O-CG2 3.45Å; L445-V449 PolarHBondContact O-N 2.85Å; T446-V449 WeakPolarHBondContact O-CB 3.28Å; T446-V449 PolarHBondContact O-N 3.3Å; C447-V449 VanDerWaalsContact C-N 3.32Å; C447-V449 PolarHBondContact O-N 3.04Å; V449-K451 VanDerWaalsContact C-N 3.33Å; V449-K451 PolarHBondContact O-N 3.21Å; V449-M452 PolarHBondContact O-N 2.89Å; V449-N453 PolarHBondContact O-N 3.37Å; V449-N453 VanDerWaalsContact O-N 3.14Å; V449-C471 HydrophobicContact CG1-CB 4.16Å; V449-N472 HydrophobicContact CG1-CB 4.48Å; V449-I475 HydrophobicContact CG1-CD1 3.6Å
450E97.1Very high94.3Very high1 Ų132 Ų321%0.00516%0.158CC..Hα-helixtrans-65.5-33.6176.4-63.8-54.9143.500113.1P391 L425 T446 C447 L448 R467 N469 A470 C471 N472P391-E450 HydrophobicContact CB-CB 3.55Å; P391-E450 HydrophobicContact CB-CG 4.17Å; L425-E450 HydrophobicContact CD1-CG 4.36Å; T446-E450 PolarHBondContact O-N 3.25Å; C447-E450 PolarHBondContact O-N 3.38Å; L448-E450 VanDerWaalsContact C-N 3.3Å; L448-E450 PolarHBondContact O-N 3.42Å; E450-R467 PolarHBondContact O-NH2 3.14Å; E450-R467 IonicContact OE2-CZ 3.11Å; E450-R467 IonicContact OE2-NH1 2.62Å; E450-R467 PolarHBondContact OE2-NH1 3.15Å; E450-N469 VanDerWaalsContact OE1-CA 3.28Å; E450-N469 WeakPolarHBondContact OE1-CA 3.37Å; E450-A470 PolarHBondContact OE1-N 2.88Å; E450-A470 PolarHBondContact OE2-N 2.78Å; E450-C471 PolarHBondContact OE1-N 2.7Å; E450-C471 VanDerWaalsContact OE2-CB 3.31Å; E450-C471 WeakPolarHBondContact OE2-CB 3.41Å; E450-C471 PolarHBondContact OE2-N 3.06Å; E450-C471 PolarHBondContact OE2-SG 3.11Å; E450-C471 VanDerWaalsContact OE2-SG 3.37Å; E450-N472 WeakPolarHBondContact OE1-CB 3.49Å; E450-N472 PolarHBondContact OE1-N 3.42Å; E450-N472 PolarHBondContact OE1-ND2 3.27Å
451K95.9Very high94.5Very high21 Ų2138.4 Ų38.49%0.09119%0.192CC..Hα-helixtrans-75.9-36.5175.7-68.3176.3-178.7-1790112.6I384 T385 G386 E392 C447 L448 V449I384-K451 HydrophobicContact CG2-CD 3.83Å; T385-K451 PolarHBondContact O-NZ 2.75Å; G386-K451 PolarHBondContact O-NZ 2.98Å; G386-K451 VanDerWaalsContact O-NZ 3.1Å; E392-K451 VanDerWaalsContact O-CE 3.29Å; E392-K451 WeakPolarHBondContact O-CE 3.43Å; C447-K451 WeakPolarHBondContact O-CG 3.43Å; C447-K451 PolarHBondContact O-N 2.94Å; C447-K451 VanDerWaalsContact SG-CE 3.56Å; L448-K451 PolarHBondContact O-N 2.8Å; L448-K451 VanDerWaalsContact O-N 3.14Å; V449-K451 VanDerWaalsContact C-N 3.33Å; V449-K451 PolarHBondContact O-N 3.21Å
452M96.6Very high94.7Very high7 Ų741.2 Ų41.23%0.03421%0.206CC..Hα-helixtrans-69.3-38-180-71.9174.172.100112.2M366 V395 C404 L410 L413 A414 L448 V449 V454M366-M452 HydrophobicContact CE-CE 4.12Å; M366-M452 HydrophobicContact CE-CG 4.4Å; M366-M452 HydrophobicContact CE-SD 4.33Å; M366-M452 HydrophobicContact SD-CE 4.26Å; M366-M452 HydrophobicContact SD-SD 4.16Å; V395-M452 HydrophobicContact CG2-CG 4.21Å; C404-M452 HydrophobicContact CB-CB 4.18Å; C404-M452 HydrophobicContact CB-CE 4.45Å; C404-M452 WeakPolarHBondContact CB-O 3.25Å; L410-M452 HydrophobicContact CB-CE 3.72Å; L410-M452 HydrophobicContact CD2-CE 4.02Å; L410-M452 HydrophobicContact CG-CE 4.29Å; L410-M452 VanDerWaalsContact O-CE 3.32Å; L410-M452 WeakPolarHBondContact O-CE 3.29Å; L413-M452 HydrophobicContact CD2-CE 4.17Å; L413-M452 HydrophobicContact CD2-SD 4.18Å; A414-M452 HydrophobicContact CB-CE 3.93Å; A414-M452 HydrophobicContact CB-SD 4.11Å; L448-M452 HydrophobicContact CD1-CG 3.98Å; L448-M452 HydrophobicContact CD1-SD 3.99Å; L448-M452 HydrophobicContact CD2-SD 4.06Å; L448-M452 HydrophobicContact CG-CG 4.15Å; L448-M452 HydrophobicContact CG-SD 3.68Å; L448-M452 VanDerWaalsContact O-CG 3.27Å; L448-M452 WeakPolarHBondContact O-CG 3.46Å; L448-M452 PolarHBondContact O-N 3.14Å; V449-M452 PolarHBondContact O-N 2.89Å; M452-V454 VanDerWaalsContact C-N 3.31Å; M452-V454 HydrophobicContact CB-CG1 3.87Å; M452-V454 HydrophobicContact CE-CG1 3.79Å; M452-V454 PolarHBondContact O-N 3.46Å
453N96.5Very high94.8Very high30 Ų3043.2 Ų43.216%0.1622%0.221CC..  trans40.855.5-177.6-168.310.4000113.1V449 F455 D456 T457 C471V449-N453 PolarHBondContact O-N 3.37Å; V449-N453 VanDerWaalsContact O-N 3.14Å; N453-F455 PolarHBondContact O-N 3.18Å; N453-D456 PolarHBondContact O-N 2.98Å; N453-T457 PolarHBondContact ND2-N 3.2Å; N453-T457 PolarHBondContact ND2-O 2.94Å; N453-T457 WeakPolarHBondContact OD1-CB 3.44Å; N453-T457 PolarHBondContact OD1-N 3.08Å; N453-C471 PolarHBondContact OD1-SG 2.9Å; N453-C471 VanDerWaalsContact OD1-SG 3.38Å
454V95.9Very high94.7Very high7 Ų748.9 Ų48.94%0.04225%0.246CC..THydrogen-bonded Turntrans-63.7-12.5-169.6-630000115.1C404 S405 V411 A414 M452C404-V454 HydrophobicContact CB-CG1 3.92Å; S405-V454 WeakPolarHBondContact CA-O 3.18Å; S405-V454 WeakPolarHBondContact CB-O 3.31Å; V411-V454 HydrophobicContact CG1-CG2 4.28Å; V411-V454 HydrophobicContact CG2-CB 4.2Å; A414-V454 HydrophobicContact CB-CB 4.42Å; A414-V454 HydrophobicContact CB-CG1 3.65Å; A414-V454 HydrophobicContact CB-CG2 3.86Å; M452-V454 VanDerWaalsContact C-N 3.31Å; M452-V454 HydrophobicContact CB-CG1 3.87Å; M452-V454 HydrophobicContact CE-CG1 3.79Å; M452-V454 PolarHBondContact O-N 3.46Å
455F95.2Very high94.5Very high85 Ų8552.4 Ų52.437%0.37326%0.264SS..THydrogen-bonded Turntrans-10812.2176.9-69.7-67.7000113.2V411 N453 T457 V474 I475 L478V411-F455 HydrophobicContact CG1-CE1 4.09Å; V411-F455 HydrophobicContact CG1-CE2 4.26Å; V411-F455 HydrophobicContact CG1-CZ 3.63Å; N453-F455 PolarHBondContact O-N 3.18Å; F455-T457 PolarHBondContact O-N 3.39Å; F455-T457 VanDerWaalsContact O-N 3.14Å; F455-V474 HydrophobicContact CB-CG1 4.38Å; F455-V474 HydrophobicContact CD2-CG1 4.09Å; F455-V474 HydrophobicContact CG-CG1 4.4Å; F455-I475 HydrophobicContact CD2-CG1 4.24Å; F455-I475 HydrophobicContact CE2-CG1 3.89Å; F455-L478 HydrophobicContact CD2-CD1 4.41Å; F455-L478 HydrophobicContact CE1-CD1 4.1Å; F455-L478 HydrophobicContact CE2-CD1 3.55Å; F455-L478 HydrophobicContact CZ-CD1 3.37Å
456D93.7Very high94.3Very high89 Ų8957.2 Ų57.248%0.47629%0.29SS..  trans49.341.1-179.5-67.5-57.9000112.3S405 N453S405-D456 WeakPolarHBondContact CB-OD2 3.44Å; S405-D456 PolarHBondContact OG-OD2 3.33Å; N453-D456 PolarHBondContact O-N 2.98Å
457T93.4Very high94.2Very high40 Ų4058.7 Ų58.725%0.24530%0.295CS..  trans-66.9139.3-180-56.60000109.9N453 F455 V459 V474N453-T457 PolarHBondContact ND2-N 3.2Å; N453-T457 PolarHBondContact ND2-O 2.94Å; N453-T457 WeakPolarHBondContact OD1-CB 3.44Å; N453-T457 PolarHBondContact OD1-N 3.08Å; F455-T457 PolarHBondContact O-N 3.39Å; F455-T457 VanDerWaalsContact O-N 3.14Å; T457-V459 HydrophobicContact CG2-CG1 4.48Å; T457-V459 PolarHBondContact O-N 3.3Å; T457-V459 VanDerWaalsContact O-N 3.14Å; T457-V474 HydrophobicContact CG2-CG2 4.02Å
458E92.9Very high94Very high154 Ų15458.5 Ų58.572%0.7229%0.294SS*.  trans-68.2110.3172.9-82.6-164.617100110.6
459V92.4Very high93.9Very high16 Ų1660.2 Ų60.210%0.09730%0.303CS..  trans-114.4-13.8-177.5-66.20000113.9T457 N461 L462 A470T457-V459 HydrophobicContact CG2-CG1 4.48Å; T457-V459 PolarHBondContact O-N 3.3Å; T457-V459 VanDerWaalsContact O-N 3.14Å; V459-N461 PolarHBondContact O-N 2.87Å; V459-L462 HydrophobicContact CB-CD1 4.41Å; V459-L462 HydrophobicContact CG1-CD1 4.37Å; V459-L462 PolarHBondContact O-N 3.41Å; V459-A470 HydrophobicContact CG1-CB 4.15Å
460H86.9Confident93.8Very high183 Ų18360.7 Ų60.785%0.84731%0.307SS*.THydrogen-bonded Turntrans-71-27.7-174.6-67.1-64.5000114.3
461N90.7Very high93.8Very high142 Ų14260.9 Ų60.976%0.75931%0.309SS*.THydrogen-bonded Turntrans-92.32.2-178.6-64.9-28.3000113V459V459-N461 PolarHBondContact O-N 2.87Å
462L93.1Very high93.8Very high68 Ų6860 Ų6036%0.35631%0.305SS..SBendtrans-82.4147.6-178.8-61.5-179.8000110.8V459 D466 R467 A470V459-L462 HydrophobicContact CB-CD1 4.41Å; V459-L462 HydrophobicContact CG1-CD1 4.37Å; V459-L462 PolarHBondContact O-N 3.41Å; L462-D466 HydrophobicContact CB-CB 4.19Å; L462-D466 HydrophobicContact CD2-CB 4.45Å; L462-R467 HydrophobicContact CB-CB 4.33Å; L462-A470 HydrophobicContact CD1-CB 3.55Å
463S93.6Very high93.7Very high53 Ų5362.2 Ų62.237%0.37132%0.321SS..  trans-62.5160.2167.777.40000110.1I465 D466 R467S463-I465 PolarHBondContact O-N 3.42Å; S463-D466 PolarHBondContact O-N 3.43Å; S463-D466 PolarHBondContact OG-N 2.93Å; S463-D466 VanDerWaalsContact OG-N 3.1Å; S463-D466 PolarHBondContact OG-OD2 2.9Å; S463-R467 WeakPolarHBondContact O-CB 3.5Å; S463-R467 PolarHBondContact O-N 2.81Å
464K92.8Very high93.6Very high120 Ų12062.5 Ų62.552%0.52232%0.324SS..Hα-helixtrans-58.1-33.8177.2-70.9-170.5177.1-174.20112.5F427 Y434 A468F427-K464 HydrophobicContact CD1-CB 3.86Å; F427-K464 HydrophobicContact CD2-CB 4.01Å; F427-K464 HydrophobicContact CD2-CD 4.38Å; F427-K464 HydrophobicContact CE1-CB 3.9Å; F427-K464 HydrophobicContact CE1-CD 4.04Å; F427-K464 HydrophobicContact CE2-CB 4.06Å; F427-K464 HydrophobicContact CE2-CD 3.63Å; F427-K464 HydrophobicContact CE2-CG 4.47Å; F427-K464 HydrophobicContact CG-CB 3.91Å; F427-K464 HydrophobicContact CZ-CB 4.01Å; F427-K464 HydrophobicContact CZ-CD 3.42Å; F427-K464 VanDerWaalsContact CZ-CD 3.42Å; F427-K464 HydrophobicContact CZ-CG 4.37Å; Y434-K464 VanDerWaalsContact CE1-O 3.27Å; Y434-K464 WeakPolarHBondContact CE1-O 3.44Å; Y434-K464 WeakPolarHBondContact OH-CA 3.49Å; Y434-K464 WeakPolarHBondContact OH-CB 3.47Å; Y434-K464 PolarHBondContact OH-O 3.21Å; K464-A468 PolarHBondContact O-N 2.79Å
465I92.3Very high93.6Very high74 Ų7462.2 Ų62.238%0.37932%0.322SS..Hα-helixtrans-67.6-52.7177.1-59.5169.5000110F427 E429 S463 R467 A468F427-I465 HydrophobicContact CB-CG1 4.29Å; F427-I465 HydrophobicContact CD1-CG1 3.94Å; E429-I465 HydrophobicContact CG-CD1 3.99Å; E429-I465 HydrophobicContact CG-CG1 4.47Å; S463-I465 PolarHBondContact O-N 3.42Å; I465-R467 VanDerWaalsContact C-N 3.26Å; I465-R467 PolarHBondContact O-N 3.02Å; I465-A468 VanDerWaalsContact O-CB 3.22Å; I465-A468 WeakPolarHBondContact O-CB 3.49Å; I465-A468 PolarHBondContact O-N 3.07Å; I465-A468 VanDerWaalsContact O-N 3.15Å
466D91.9Very high93.4Very high101 Ų10162.9 Ų62.954%0.5433%0.325SS..Hα-helixtrans-66.7-31.3-179-60.4-46.9000112L462 S463 A468L462-D466 HydrophobicContact CB-CB 4.19Å; L462-D466 HydrophobicContact CD2-CB 4.45Å; S463-D466 PolarHBondContact O-N 3.43Å; S463-D466 PolarHBondContact OG-N 2.93Å; S463-D466 VanDerWaalsContact OG-N 3.1Å; S463-D466 PolarHBondContact OG-OD2 2.9Å; D466-A468 PolarHBondContact O-N 3Å
467R94.5Very high93.4Very high33 Ų3365.1 Ų65.113%0.12533%0.333CS..Hα-helixtrans-62.9-28.1176.4177.363.7-166.3118.5-6.7112.5P391 E450 L462 S463 I465 N469P391-R467 HydrophobicContact CG-CG 3.78Å; P391-R467 PolarHBondContact O-NH2 3.35Å; E450-R467 PolarHBondContact O-NH2 3.14Å; E450-R467 IonicContact OE2-CZ 3.11Å; E450-R467 IonicContact OE2-NH1 2.62Å; E450-R467 PolarHBondContact OE2-NH1 3.15Å; L462-R467 HydrophobicContact CB-CB 4.33Å; S463-R467 WeakPolarHBondContact O-CB 3.5Å; S463-R467 PolarHBondContact O-N 2.81Å; I465-R467 VanDerWaalsContact C-N 3.26Å; I465-R467 PolarHBondContact O-N 3.02Å; R467-N469 VanDerWaalsContact C-N 3.27Å; R467-N469 PolarHBondContact O-N 2.91Å
468A93Very high93.2Very high1 Ų167.2 Ų67.21%0.00834%0.342CS..THydrogen-bonded Turntrans-55.9-37.9-171.500000113.4L425 Y434 K464 I465 D466L425-A468 HydrophobicContact CB-CB 4.15Å; L425-A468 WeakPolarHBondContact CB-O 3.22Å; L425-A468 WeakPolarHBondContact CD1-O 3.32Å; Y434-A468 HydrophobicContact CD1-CB 4.18Å; Y434-A468 HydrophobicContact CE1-CB 3.89Å; K464-A468 PolarHBondContact O-N 2.79Å; I465-A468 VanDerWaalsContact O-CB 3.22Å; I465-A468 WeakPolarHBondContact O-CB 3.49Å; I465-A468 PolarHBondContact O-N 3.07Å; I465-A468 VanDerWaalsContact O-N 3.15Å; D466-A468 PolarHBondContact O-N 3Å
469N95.3Very high93.1Very high37 Ų3761.2 Ų61.220%0.19831%0.314CS..THydrogen-bonded Turntrans-132.826.2-176.7-57.5-81.2000113L425 E450 R467 S473L425-N469 PolarHBondContact N-OD1 3.35Å; L425-N469 VanDerWaalsContact N-OD1 3.15Å; L425-N469 PolarHBondContact O-ND2 3.29Å; E450-N469 VanDerWaalsContact OE1-CA 3.28Å; E450-N469 WeakPolarHBondContact OE1-CA 3.37Å; R467-N469 VanDerWaalsContact C-N 3.27Å; R467-N469 PolarHBondContact O-N 2.91Å; N469-S473 VanDerWaalsContact O-CB 3.23Å; N469-S473 WeakPolarHBondContact O-CB 3.45Å; N469-S473 PolarHBondContact O-N 2.86Å; N469-S473 PolarHBondContact O-OG 2.84Å
470A96.1Very high92.9Very high13 Ų1365.2 Ų65.211%0.10733%0.33CS..Hα-helixtrans-59.8-56.5-172.700000112.6E450 V459 L462 S473 V474E450-A470 PolarHBondContact OE1-N 2.88Å; E450-A470 PolarHBondContact OE2-N 2.78Å; V459-A470 HydrophobicContact CG1-CB 4.15Å; L462-A470 HydrophobicContact CD1-CB 3.55Å; A470-S473 PolarHBondContact O-N 2.85Å; A470-V474 WeakPolarHBondContact O-CG2 3.22Å; A470-V474 PolarHBondContact O-N 2.71Å
471C96.3Very high93.2Very high5 Ų559.9 Ų59.93%0.03430%0.304CS..Hα-helixtrans-68.8-38.1-178.6-59.80000111.8V449 E450 N453 S473 V474 I475V449-C471 HydrophobicContact CG1-CB 4.16Å; E450-C471 PolarHBondContact OE1-N 2.7Å; E450-C471 VanDerWaalsContact OE2-CB 3.31Å; E450-C471 WeakPolarHBondContact OE2-CB 3.41Å; E450-C471 PolarHBondContact OE2-N 3.06Å; E450-C471 PolarHBondContact OE2-SG 3.11Å; E450-C471 VanDerWaalsContact OE2-SG 3.37Å; N453-C471 PolarHBondContact OD1-SG 2.9Å; N453-C471 VanDerWaalsContact OD1-SG 3.38Å; C471-S473 VanDerWaalsContact C-N 3.29Å; C471-S473 PolarHBondContact O-N 3.1Å; C471-V474 PolarHBondContact O-N 3.04Å; C471-I475 PolarHBondContact O-N 2.87Å
472N95.9Very high93.1Very high1 Ų157 Ų571%0.00529%0.287CS..Hα-helixtrans-60.6-40.4174.4-79.8-86.5000111.5A418 T446 V449 E450 I475 K476A418-N472 WeakPolarHBondContact CA-OD1 3.25Å; A418-N472 WeakPolarHBondContact CB-OD1 3.43Å; T446-N472 WeakPolarHBondContact CG2-ND2 3.48Å; T446-N472 PolarHBondContact O-ND2 3.04Å; V449-N472 HydrophobicContact CG1-CB 4.48Å; E450-N472 WeakPolarHBondContact OE1-CB 3.49Å; E450-N472 PolarHBondContact OE1-N 3.42Å; E450-N472 PolarHBondContact OE1-ND2 3.27Å; N472-I475 PolarHBondContact O-N 2.79Å; N472-K476 WeakPolarHBondContact O-CG 3.43Å; N472-K476 PolarHBondContact O-N 3.32Å
473S94.7Very high92.8Very high54 Ų5455 Ų5538%0.37828%0.277SS..Hα-helixtrans-65.1-40.2178.1-62.60000111.8N469 A470 C471 I475 K476 Q477N469-S473 VanDerWaalsContact O-CB 3.23Å; N469-S473 WeakPolarHBondContact O-CB 3.45Å; N469-S473 PolarHBondContact O-N 2.86Å; N469-S473 PolarHBondContact O-OG 2.84Å; A470-S473 PolarHBondContact O-N 2.85Å; C471-S473 VanDerWaalsContact C-N 3.29Å; C471-S473 PolarHBondContact O-N 3.1Å; S473-I475 VanDerWaalsContact C-N 3.32Å; S473-I475 PolarHBondContact O-N 3.4Å; S473-K476 PolarHBondContact O-N 3.43Å; S473-Q477 WeakPolarHBondContact O-CG 3.48Å; S473-Q477 PolarHBondContact O-N 3.29Å
474V95.5Very high92.6Very high36 Ų3654.3 Ų54.322%0.21827%0.272CS..Hα-helixtrans-58-45173.9173.20000111F455 T457 A470 C471 Q477 L478F455-V474 HydrophobicContact CB-CG1 4.38Å; F455-V474 HydrophobicContact CD2-CG1 4.09Å; F455-V474 HydrophobicContact CG-CG1 4.4Å; T457-V474 HydrophobicContact CG2-CG2 4.02Å; A470-V474 WeakPolarHBondContact O-CG2 3.22Å; A470-V474 PolarHBondContact O-N 2.71Å; C471-V474 PolarHBondContact O-N 3.04Å; V474-Q477 WeakPolarHBondContact O-CB 3.26Å; V474-Q477 PolarHBondContact O-N 2.93Å; V474-L478 PolarHBondContact O-N 3.35Å
475I94.6Very high92.5Very high1 Ų148.6 Ų48.61%0.00525%0.247CC..Hα-helixtrans-64.8-43.4178.1-66.7167.2000111.5A414 T415 A418 L419 V449 F455 C471 N472 S473 Q477 L478 M479A414-I475 HydrophobicContact CB-CD1 4.28Å; T415-I475 HydrophobicContact CG2-CG2 4.07Å; A418-I475 HydrophobicContact CB-CB 4.03Å; A418-I475 HydrophobicContact CB-CD1 3.73Å; A418-I475 HydrophobicContact CB-CG1 4.49Å; A418-I475 HydrophobicContact CB-CG2 3.83Å; L419-I475 HydrophobicContact CD1-CG2 4.29Å; L419-I475 HydrophobicContact CD2-CG2 4.26Å; L419-I475 HydrophobicContact CG-CG2 3.99Å; V449-I475 HydrophobicContact CG1-CD1 3.6Å; F455-I475 HydrophobicContact CD2-CG1 4.24Å; F455-I475 HydrophobicContact CE2-CG1 3.89Å; C471-I475 PolarHBondContact O-N 2.87Å; N472-I475 PolarHBondContact O-N 2.79Å; S473-I475 VanDerWaalsContact C-N 3.32Å; S473-I475 PolarHBondContact O-N 3.4Å; I475-Q477 PolarHBondContact O-N 3.48Å; I475-L478 WeakPolarHBondContact O-CB 3.35Å; I475-L478 PolarHBondContact O-N 3.4Å; I475-M479 PolarHBondContact O-N 3.12Å
476K92.2Very high92Very high99 Ų9949.2 Ų49.243%0.4325%0.248SC..Hα-helixtrans-62.1-23.1177-71.7174-178.4179.10112.8L419 N472 S473L419-K476 HydrophobicContact CD2-CG 4.1Å; N472-K476 WeakPolarHBondContact O-CG 3.43Å; N472-K476 PolarHBondContact O-N 3.32Å; S473-K476 PolarHBondContact O-N 3.43Å
477Q92.6Very high91.7Very high137 Ų13746.9 Ų46.964%0.6423%0.233SC*.Hα-helixtrans-76.2-22.4172.1-69.7173.69.700113.3S473 V474 I475 N501S473-Q477 WeakPolarHBondContact O-CG 3.48Å; S473-Q477 PolarHBondContact O-N 3.29Å; V474-Q477 WeakPolarHBondContact O-CB 3.26Å; V474-Q477 PolarHBondContact O-N 2.93Å; I475-Q477 PolarHBondContact O-N 3.48Å; Q477-N501 WeakPolarHBondContact O-CB 3.45Å; Q477-N501 PolarHBondContact O-ND2 3.06Å
478L90.6Very high90.6Very high84 Ų8445.6 Ų45.644%0.4423%0.229SC..Hα-helixtrans-80.5-37.7179.4-61.3174.8000112.3F455 V474 I475 N501F455-L478 HydrophobicContact CD2-CD1 4.41Å; F455-L478 HydrophobicContact CE1-CD1 4.1Å; F455-L478 HydrophobicContact CE2-CD1 3.55Å; F455-L478 HydrophobicContact CZ-CD1 3.37Å; V474-L478 PolarHBondContact O-N 3.35Å; I475-L478 WeakPolarHBondContact O-CB 3.35Å; I475-L478 PolarHBondContact O-N 3.4Å; L478-N501 PolarHBondContact O-N 2.91Å
479M89.8Confident89.1Confident27 Ų2750.6 Ų50.613%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-128.8127.8-175.5-62.8-67.3-70.300110.5L419 I475 C498 T499 P500 K509 F511L419-M479 HydrophobicContact CD1-CB 3.6Å; L419-M479 HydrophobicContact CD1-CG 3.94Å; L419-M479 HydrophobicContact CD2-CB 4.39Å; I475-M479 PolarHBondContact O-N 3.12Å; M479-C498 HydrophobicContact CB-CB 4.22Å; M479-C498 HydrophobicContact CE-CB 3.71Å; M479-T499 CarbonylContact C-O 3.44Å; M479-T499 WeakPolarHBondContact CA-O 3.37Å; M479-P500 HydrophobicContact CE-CG 4.36Å; M479-P500 HydrophobicContact SD-CB 4.12Å; M479-P500 HydrophobicContact SD-CG 4.11Å; M479-K509 HydrophobicContact CE-CB 4.37Å; M479-F511 HydrophobicContact CE-CE2 3.99Å; M479-F511 HydrophobicContact CE-CZ 4.12Å
480K89.7Confident87.9Confident100 Ų10054 Ų5444%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-82.7122.7171-177.8173.7174.1-118.80109.8E482 C498 T499 N501K480-E482 WeakPolarHBondContact CD-OE1 3.48Å; K480-E482 IonicContact NZ-OE1 3.67Å; K480-E482 PolarHBondContact NZ-OE1 3.42Å; K480-E482 IonicContact NZ-OE2 2.7Å; K480-E482 PolarHBondContact NZ-OE2 3.01Å; K480-E482 PolarHBondContact O-N 2.92Å; K480-C498 CarbonylContact O-C 3.59Å; K480-C498 WeakPolarHBondContact O-CA 3.33Å; K480-T499 PolarHBondContact N-O 3.27Å; K480-T499 PolarHBondContact O-N 3.41Å; K480-N501 WeakPolarHBondContact CB-OD1 3.29Å
481K91.6Very high87.2Confident71 Ų7153.9 Ų53.931%0.30926%0.263SS..EExtended strand (participates in β ladder)trans-77.1113.7170.7-178.4173.5173.3174.50108.6N421 D422 T484 V496N421-K481 PolarHBondContact O-NZ 3.23Å; N421-K481 VanDerWaalsContact O-NZ 3.09Å; D422-K481 IonicContact OD1-NZ 3.81Å; D422-K481 PolarHBondContact OD1-NZ 3.02Å; K481-T484 WeakPolarHBondContact CE-OG1 3.27Å; K481-T484 PolarHBondContact NZ-OG1 2.87Å; K481-V496 HydrophobicContact CD-CG1 4.21Å; K481-V496 HydrophobicContact CG-CB 4.39Å
482E89.8Confident86.7Confident83 Ų8359.4 Ų59.439%0.38829%0.286SS..EExtended strand (participates in β ladder)trans-89-46.7-179.2-61.9-66.9174.600111.2K480 Y497 T499K480-E482 WeakPolarHBondContact CD-OE1 3.48Å; K480-E482 IonicContact NZ-OE1 3.67Å; K480-E482 PolarHBondContact NZ-OE1 3.42Å; K480-E482 IonicContact NZ-OE2 2.7Å; K480-E482 PolarHBondContact NZ-OE2 3.01Å; K480-E482 PolarHBondContact O-N 2.92Å; E482-Y497 HydrophobicContact CB-CD1 4.1Å; E482-Y497 HydrophobicContact CG-CD1 4.17Å; E482-Y497 PolarHBondContact N-O 3.16Å; E482-T499 HydrophobicContact CG-CG2 3.85Å; E482-T499 PolarHBondContact OE1-OG1 3.21Å
483C87.4Confident86.4Confident24 Ų2459.4 Ų59.416%0.16229%0.286CS..EExtended strand (participates in β ladder)trans-152159.7176.464.40000111.9V496 Y497 L576C483-V496 WeakPolarHBondContact O-CA 3.47Å; C483-Y497 PolarHBondContact O-N 3.39Å; C483-L576 HydrophobicContact CB-CD1 4.08Å
484T89.4Confident86.3Confident40 Ų4057.1 Ų57.125%0.24527%0.269CS..EExtended strand (participates in β ladder)trans-111.2129.8173.7-54.90000108.7K481 E486 M494 V496K481-T484 WeakPolarHBondContact CE-OG1 3.27Å; K481-T484 PolarHBondContact NZ-OG1 2.87Å; T484-E486 PolarHBondContact O-N 3.3Å; T484-M494 HydrophobicContact CG2-CG 4.2Å; T484-M494 HydrophobicContact CG2-SD 4.45Å; T484-V496 HydrophobicContact CG2-CG1 3.96Å
485L89.2Confident86.3Confident0 Ų055.4 Ų55.40%026%0.259CS..EExtended strand (participates in β ladder)trans-87.196.4162.3-69.371.2000105.6R491 S495 M510 M574 F582 Y585 E586L485-R491 PolarHBondContact O-NH2 3.46Å; L485-S495 WeakPolarHBondContact CB-OG 3.25Å; L485-S495 PolarHBondContact N-O 2.99Å; L485-S495 PolarHBondContact O-N 3.47Å; L485-S495 VanDerWaalsContact O-N 3.16Å; L485-M510 HydrophobicContact CD1-CE 4.07Å; L485-M510 HydrophobicContact CD2-CE 3.79Å; L485-M574 HydrophobicContact CD1-CE 3.88Å; L485-M574 HydrophobicContact CD2-CE 4Å; L485-M574 HydrophobicContact CG-CE 4.38Å; L485-F582 HydrophobicContact CB-CB 4.49Å; L485-F582 HydrophobicContact CB-CD2 3.81Å; L485-F582 HydrophobicContact CB-CE2 4.11Å; L485-F582 HydrophobicContact CB-CG 4.05Å; L485-F582 HydrophobicContact CD2-CB 3.97Å; L485-F582 HydrophobicContact CD2-CD1 3.97Å; L485-F582 HydrophobicContact CD2-CG 3.9Å; L485-F582 HydrophobicContact CG-CD1 4.15Å; L485-F582 HydrophobicContact CG-CD2 4.28Å; L485-F582 HydrophobicContact CG-CE1 4.39Å; L485-F582 HydrophobicContact CG-CE2 4.5Å; L485-F582 HydrophobicContact CG-CG 4.11Å; L485-Y585 HydrophobicContact CD2-CD2 3.91Å; L485-Y585 HydrophobicContact CD2-CG 4.41Å; L485-E586 HydrophobicContact CD2-CG 4.48Å
486E83Confident86.4Confident87 Ų8755.3 Ų55.341%0.40726%0.259SS..EExtended strand (participates in β ladder)trans-51.7147.2-175.2-61.8175.3172.100111.2T171 T484 S488 R491T171-E486 WeakPolarHBondContact CB-OE2 3.28Å; T171-E486 HydrophobicContact CG2-CB 4.42Å; T171-E486 VanDerWaalsContact CG2-OE2 3.24Å; T171-E486 WeakPolarHBondContact CG2-OE2 3.48Å; T171-E486 PolarHBondContact OG1-OE2 2.89Å; T484-E486 PolarHBondContact O-N 3.3Å; E486-S488 PolarHBondContact O-N 2.62Å; E486-R491 PolarHBondContact O-NH1 3Å; E486-R491 PolarHBondContact O-NH2 2.77Å
487F84Confident86.5Confident52 Ų5251.5 Ų51.523%0.22824%0.242CC..EExtended strand (participates in β ladder)trans-55.6127.3176.1178.9-85.6000111.1T172 I188 R489 K492 S493 M494T172-F487 WeakPolarHBondContact CG2-O 3.23Å; I188-F487 HydrophobicContact CD1-CD1 3.65Å; I188-F487 HydrophobicContact CD1-CE1 3.38Å; I188-F487 HydrophobicContact CD1-CZ 4.49Å; F487-R489 HydrophobicContact CE1-CG 4.19Å; F487-K492 HydrophobicContact CE2-CB 4.45Å; F487-K492 HydrophobicContact CZ-CB 4.34Å; F487-S493 WeakPolarHBondContact CA-O 3.3Å; F487-M494 HydrophobicContact CB-CB 4.2Å; F487-M494 HydrophobicContact CB-CE 4.34Å
488S71.9Confident86.5Confident6 Ų645 Ų454%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-123.9154.6169.178.80000110.6E486 D490 R491 K492E486-S488 PolarHBondContact O-N 2.62Å; S488-D490 WeakPolarHBondContact CB-OD1 3.33Å; S488-D490 VanDerWaalsContact OG-CG 3.28Å; S488-D490 PolarHBondContact OG-OD1 3.47Å; S488-D490 PolarHBondContact OG-OD2 2.97Å; S488-R491 WeakPolarHBondContact OG-CG 3.29Å; S488-R491 PolarHBondContact OG-NH1 2.7Å; S488-K492 WeakPolarHBondContact O-CA 3.29Å; S488-K492 PolarHBondContact O-N 2.98Å
489R62.8Low86.5Confident106 Ų10642.5 Ų42.540%0.420%0.2SC..THydrogen-bonded Turntrans-79.9-30.8-169.3-74.5-177.564.9-123.44.6114.4I188 H190 F487 R491 K492I188-R489 HydrophobicContact CD1-CG 4.05Å; I188-R489 HydrophobicContact CG2-CG 4.21Å; H190-R489 VanDerWaalsContact CD2-CZ 3.47Å; H190-R489 PolarHBondContact CD2-NH1 2.85Å; H190-R489 WeakPolarHBondContact CE1-CD 3.39Å; H190-R489 PolarHBondContact CE1-NE 3.39Å; H190-R489 PolarHBondContact CE1-NH1 3.22Å; H190-R489 PolarHBondContact ND1-NH1 2.97Å; H190-R489 PolarHBondContact NE2-NE 3.13Å; H190-R489 VanDerWaalsContact NE2-NE 3.17Å; H190-R489 PolarHBondContact NE2-NH1 2.93Å; H190-R489 PolarHBondContact NE2-NH2 2.96Å; F487-R489 HydrophobicContact CE1-CG 4.19Å; R489-R491 VanDerWaalsContact C-N 3.28Å; R489-R491 PolarHBondContact O-N 3.35Å; R489-K492 WeakPolarHBondContact O-CG 3.4Å
490D69.3Low86.4Confident109 Ų10943.6 Ų43.658%0.58321%0.209SC*.THydrogen-bonded Turntrans-55.8-45.2174.951.3-61.8000110.6S488S488-D490 WeakPolarHBondContact CB-OD1 3.33Å; S488-D490 VanDerWaalsContact OG-CG 3.28Å; S488-D490 PolarHBondContact OG-OD1 3.47Å; S488-D490 PolarHBondContact OG-OD2 2.97Å
491R81Confident86Confident10 Ų1042.9 Ų42.94%0.03821%0.21CC..THydrogen-bonded Turntrans-97.9-15.8-18070.7-168.6-150.4-83.32.2115.4L485 E486 S488 R489 S493 R522 E586L485-R491 PolarHBondContact O-NH2 3.46Å; E486-R491 PolarHBondContact O-NH1 3Å; E486-R491 PolarHBondContact O-NH2 2.77Å; S488-R491 WeakPolarHBondContact OG-CG 3.29Å; S488-R491 PolarHBondContact OG-NH1 2.7Å; R489-R491 VanDerWaalsContact C-N 3.28Å; R489-R491 PolarHBondContact O-N 3.35Å; R491-S493 WeakPolarHBondContact CG-OG 3.44Å; R491-S493 PolarHBondContact NE-O 3.05Å; R491-S493 PolarHBondContact NH2-O 3Å; R491-S493 VanDerWaalsContact NH2-O 3.12Å; R491-S493 PolarHBondContact O-N 2.81Å; R491-S493 VanDerWaalsContact O-N 3.17Å; R491-S493 PolarHBondContact O-OG 2.79Å; R491-R522 PolarHBondContact O-NH2 2.89Å; R491-E586 WeakPolarHBondContact CD-OE2 3.47Å; R491-E586 IonicContact CZ-OE1 3.68Å; R491-E586 IonicContact CZ-OE2 2.9Å; R491-E586 IonicContact NE-OE1 3.79Å; R491-E586 PolarHBondContact NE-OE1 2.8Å; R491-E586 IonicContact NE-OE2 2.78Å; R491-E586 PolarHBondContact NE-OE2 3.1Å; R491-E586 IonicContact NH2-OE1 2.96Å; R491-E586 PolarHBondContact NH2-OE1 3.44Å
492K84.9Confident84.8Confident121 Ų12149 Ų4953%0.52624%0.236SC..THydrogen-bonded Turntrans49.637.7-177.9-56.4-177.8-177.51690113.8F487 S488 R489 G514 A515F487-K492 HydrophobicContact CE2-CB 4.45Å; F487-K492 HydrophobicContact CZ-CB 4.34Å; S488-K492 WeakPolarHBondContact O-CA 3.29Å; S488-K492 PolarHBondContact O-N 2.98Å; R489-K492 WeakPolarHBondContact O-CG 3.4Å; K492-G514 VanDerWaalsContact O-CA 3.3Å; K492-G514 WeakPolarHBondContact O-CA 3.49Å; K492-A515 HydrophobicContact CB-CB 3.77Å; K492-A515 HydrophobicContact CD-CB 4.19Å; K492-A515 PolarHBondContact O-N 3.46Å
493S90.4Very high83Confident0 Ų050.6 Ų50.60%026%0.257CS..EExtended strand (participates in β ladder)trans-142.9160.6178.151.70000110.6F487 R491 K513 R522 E586F487-S493 WeakPolarHBondContact CA-O 3.3Å; R491-S493 WeakPolarHBondContact CG-OG 3.44Å; R491-S493 PolarHBondContact NE-O 3.05Å; R491-S493 PolarHBondContact NH2-O 3Å; R491-S493 VanDerWaalsContact NH2-O 3.12Å; R491-S493 PolarHBondContact O-N 2.81Å; R491-S493 VanDerWaalsContact O-N 3.17Å; R491-S493 PolarHBondContact O-OG 2.79Å; S493-K513 CarbonylContact C-O 3.57Å; S493-K513 VanDerWaalsContact CA-O 3.23Å; S493-K513 WeakPolarHBondContact CA-O 3.41Å; S493-K513 WeakPolarHBondContact CB-O 3.11Å; S493-R522 PolarHBondContact OG-NH1 3.15Å; S493-R522 PolarHBondContact OG-NH2 3.48Å; S493-E586 PolarHBondContact OG-OE2 3.35Å
494M93Very high81.2Confident6 Ų661.4 Ų61.43%0.0329%0.294CS..EExtended strand (participates in β ladder)trans-123.2147.6170.6173.4-170.2-81.200107.2C420 E442 T484 F487 V512 K513C420-M494 PolarHBondContact SG-O 2.8Å; E442-M494 WeakPolarHBondContact OE1-CE 3.46Å; T484-M494 HydrophobicContact CG2-CG 4.2Å; T484-M494 HydrophobicContact CG2-SD 4.45Å; F487-M494 HydrophobicContact CB-CB 4.2Å; F487-M494 HydrophobicContact CB-CE 4.34Å; M494-V512 WeakPolarHBondContact O-CA 3.31Å; M494-K513 HydrophobicContact CB-CG 4.32Å; M494-K513 PolarHBondContact N-O 3.48Å; M494-K513 PolarHBondContact O-N 3.17Å; M494-K513 WeakPolarHBondContact SD-CE 3.16Å
495S95.7Very high79.5Confident0 Ų062.8 Ų62.80%031%0.305CS..EExtended strand (participates in β ladder)trans-140160.3168.763.60000112.6L485 M510 F511 E586L485-S495 WeakPolarHBondContact CB-OG 3.25Å; L485-S495 PolarHBondContact N-O 2.99Å; L485-S495 PolarHBondContact O-N 3.47Å; L485-S495 VanDerWaalsContact O-N 3.16Å; S495-M510 VanDerWaalsContact OG-CE 3.32Å; S495-M510 WeakPolarHBondContact OG-CE 3.35Å; S495-F511 CarbonylContact C-O 3.41Å; S495-F511 WeakPolarHBondContact CA-O 3.39Å; S495-F511 VanDerWaalsContact CB-O 3.31Å; S495-F511 WeakPolarHBondContact CB-O 3.42Å; S495-E586 VanDerWaalsContact CB-OE1 3.26Å; S495-E586 WeakPolarHBondContact CB-OE1 3.49Å; S495-E586 PolarHBondContact N-OE1 3.11Å; S495-E586 VanDerWaalsContact OG-CG 3.29Å; S495-E586 WeakPolarHBondContact OG-CG 3.35Å; S495-E586 PolarHBondContact OG-OE1 2.94Å
496V95.5Very high78Confident0 Ų068.6 Ų68.60%035%0.346CS..EExtended strand (participates in β ladder)trans-129.1136.5175.2-65.10000109.4L419 C420 K481 C483 T484 M510 F511L419-V496 HydrophobicContact CB-CG2 4.19Å; C420-V496 HydrophobicContact CB-CG1 4.48Å; C420-V496 HydrophobicContact CB-CG2 3.87Å; K481-V496 HydrophobicContact CD-CG1 4.21Å; K481-V496 HydrophobicContact CG-CB 4.39Å; C483-V496 WeakPolarHBondContact O-CA 3.47Å; T484-V496 HydrophobicContact CG2-CG1 3.96Å; V496-M510 CarbonylContact O-C 3.56Å; V496-M510 VanDerWaalsContact O-CA 3.22Å; V496-M510 WeakPolarHBondContact O-CA 3.21Å; V496-F511 HydrophobicContact CG2-CB 3.91Å; V496-F511 HydrophobicContact CG2-CD2 4.19Å; V496-F511 PolarHBondContact N-O 3.35Å; V496-F511 PolarHBondContact O-N 3.17Å
497Y94.1Very high77.5Confident18 Ų1868 Ų687%0.07135%0.349CS..EExtended strand (participates in β ladder)trans-91.9124.9172.4-171.7-81.3000109.1E482 C483 T499 M510 P568 P569 T571 M574E482-Y497 HydrophobicContact CB-CD1 4.1Å; E482-Y497 HydrophobicContact CG-CD1 4.17Å; E482-Y497 PolarHBondContact N-O 3.16Å; C483-Y497 PolarHBondContact O-N 3.39Å; Y497-T499 HydrophobicContact CE1-CG2 3.85Å; Y497-M510 HydrophobicContact CD2-CG 3.64Å; Y497-M510 HydrophobicContact CD2-SD 4.2Å; Y497-M510 HydrophobicContact CG-CG 4.32Å; Y497-P568 HydrophobicContact CD2-CB 4.11Å; Y497-P568 HydrophobicContact CD2-CG 4.11Å; Y497-P568 HydrophobicContact CE2-CB 3.76Å; Y497-P568 HydrophobicContact CE2-CG 3.49Å; Y497-P568 VanDerWaalsContact CE2-CG 3.49Å; Y497-P569 WeakPolarHBondContact CE2-O 3.43Å; Y497-T571 HydrophobicContact CD1-CG2 3.73Å; Y497-T571 HydrophobicContact CD2-CG2 4.43Å; Y497-T571 HydrophobicContact CE1-CG2 3.63Å; Y497-T571 HydrophobicContact CE2-CG2 4.35Å; Y497-T571 HydrophobicContact CG-CG2 4.14Å; Y497-M574 HydrophobicContact CD2-SD 4.27Å
498C92.9Very high77.5Confident0 Ų065.7 Ų65.70%034%0.339CS..EExtended strand (participates in β ladder)trans-129.5143.7-175.1-63.50000112.4M479 K480 G508 K509 F511M479-C498 HydrophobicContact CB-CB 4.22Å; M479-C498 HydrophobicContact CE-CB 3.71Å; K480-C498 CarbonylContact O-C 3.59Å; K480-C498 WeakPolarHBondContact O-CA 3.33Å; C498-G508 CarbonylContact O-C 3.46Å; C498-G508 VanDerWaalsContact O-CA 3.28Å; C498-G508 WeakPolarHBondContact O-CA 3.47Å; C498-K509 PolarHBondContact N-O 3.16Å; C498-K509 PolarHBondContact O-N 3.16Å; C498-F511 HydrophobicContact CB-CD2 4.08Å; C498-F511 HydrophobicContact CB-CE2 3.76Å
499T90.8Very high78.5Confident33 Ų3368.7 Ų68.720%0.20235%0.351CS..EExtended strand (participates in β ladder)trans-116.1143.5175.5550000110.3M479 K480 E482 Y497M479-T499 CarbonylContact C-O 3.44Å; M479-T499 WeakPolarHBondContact CA-O 3.37Å; K480-T499 PolarHBondContact N-O 3.27Å; K480-T499 PolarHBondContact O-N 3.41Å; E482-T499 HydrophobicContact CG-CG2 3.85Å; E482-T499 PolarHBondContact OE1-OG1 3.21Å; Y497-T499 HydrophobicContact CE1-CG2 3.85Å
500P88.1Confident80Confident50 Ų5063.6 Ų63.633%0.32533%0.332SS..EExtended strand (participates in β ladder)trans-68.4136.5177.6-17.930.8000112.4M479M479-P500 HydrophobicContact CE-CG 4.36Å; M479-P500 HydrophobicContact SD-CB 4.12Å; M479-P500 HydrophobicContact SD-CG 4.11Å
501N80.4Confident81.4Confident85 Ų8558.7 Ų58.746%0.45531%0.306SS..SBendtrans-74.3-28.4-179.9-90-23.7000114.2Q477 L478 K480Q477-N501 WeakPolarHBondContact O-CB 3.45Å; Q477-N501 PolarHBondContact O-ND2 3.06Å; L478-N501 PolarHBondContact O-N 2.91Å; K480-N501 WeakPolarHBondContact CB-OD1 3.29Å
502K67.2Low82.1Confident198 Ų19858.2 Ų58.286%0.86130%0.304SS*.SBendtrans-106.4110.4178.2-74.5-177.9179.2174.40110.5R504K502-R504 PolarHBondContact O-N 3.21Å
503S53.1Low82.7Confident117 Ų11753 Ų5382%0.81828%0.281SS*.SBendtrans-57.6117.8-178.6152.10000113.9
504R48.1Very low82.8Confident251 Ų25153.2 Ų53.295%0.94728%0.283SS*.SBendtrans-151.7-15.7141.1-95.1-172.1-179.2164.30.3112.9K502K502-R504 PolarHBondContact O-N 3.21Å
505S53.9Low82.6Confident69 Ų6954.3 Ų54.348%0.48329%0.293SS..  trans-129.6126.7171.6167.40000108.7V507S505-V507 VanDerWaalsContact C-N 3.26Å; S505-V507 PolarHBondContact OG-N 2.77Å
506S57.3Low82.4Confident123 Ų12355.2 Ų55.286%0.8630%0.299SS*.  trans-86.68175.856.90000113.2G508S506-G508 PolarHBondContact O-N 3.34Å
507V73.6Confident82Confident75 Ų7561.5 Ų61.546%0.45533%0.328SS..  trans-80.9113.3-175.8-172.30000108.9S505S505-V507 VanDerWaalsContact C-N 3.26Å; S505-V507 PolarHBondContact OG-N 2.77Å
508G83.4Confident81.7Confident2 Ų261.9 Ų61.92%0.02134%0.338CS..  trans-65.4158.3171.200000111.3C498 S506 P568C498-G508 CarbonylContact O-C 3.46Å; C498-G508 VanDerWaalsContact O-CA 3.28Å; C498-G508 WeakPolarHBondContact O-CA 3.47Å; S506-G508 PolarHBondContact O-N 3.34Å; G508-P568 WeakPolarHBondContact O-CD 3.39Å; G508-P568 WeakPolarHBondContact O-CG 2.98Å
509K92.4Very high81.8Confident69 Ų6961.9 Ų61.930%0.334%0.338SS..EExtended strand (participates in β ladder)trans-122.9149.1171-73.7-166.2172.1-1650109.4M479 C498 F511M479-K509 HydrophobicContact CE-CB 4.37Å; C498-K509 PolarHBondContact N-O 3.16Å; C498-K509 PolarHBondContact O-N 3.16Å; K509-F511 HydrophobicContact CB-CE2 4.4Å; K509-F511 HydrophobicContact CB-CZ 4.17Å; K509-F511 HydrophobicContact CD-CE1 4.43Å; K509-F511 HydrophobicContact CD-CZ 4.29Å
510M95.1Very high81.9Confident0 Ų060.4 Ų60.40%033%0.328CS..EExtended strand (participates in β ladder)trans-106.7129.8164.3-68170.963.300110.5L485 S495 V496 Y497 T564 R565 P568 M574 Y585 E586L485-M510 HydrophobicContact CD1-CE 4.07Å; L485-M510 HydrophobicContact CD2-CE 3.79Å; S495-M510 VanDerWaalsContact OG-CE 3.32Å; S495-M510 WeakPolarHBondContact OG-CE 3.35Å; V496-M510 CarbonylContact O-C 3.56Å; V496-M510 VanDerWaalsContact O-CA 3.22Å; V496-M510 WeakPolarHBondContact O-CA 3.21Å; Y497-M510 HydrophobicContact CD2-CG 3.64Å; Y497-M510 HydrophobicContact CD2-SD 4.2Å; Y497-M510 HydrophobicContact CG-CG 4.32Å; M510-T564 CarbonylContact O-C 3.48Å; M510-T564 VanDerWaalsContact O-CA 3.26Å; M510-T564 WeakPolarHBondContact O-CA 2.98Å; M510-R565 HydrophobicContact CB-CB 3.95Å; M510-R565 PolarHBondContact N-O 3.48Å; M510-R565 VanDerWaalsContact N-O 3.16Å; M510-R565 PolarHBondContact O-N 3.38Å; M510-P568 HydrophobicContact CB-CB 4.38Å; M510-P568 HydrophobicContact CG-CB 3.59Å; M510-P568 HydrophobicContact CG-CG 4.21Å; M510-P568 HydrophobicContact SD-CB 3.55Å; M510-P568 VanDerWaalsContact SD-CB 3.55Å; M510-M574 HydrophobicContact CE-CE 4.47Å; M510-M574 HydrophobicContact SD-CE 4.37Å; M510-Y585 WeakPolarHBondContact CE-O 3.44Å; M510-E586 HydrophobicContact CE-CG 4.15Å
511F97.5Very high82.2Confident6 Ų663 Ų633%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-102.2128.9173.1-58.3-71.3000108.6T415 I416 L419 C420 M479 S495 V496 C498 K509 T564T415-F511 HydrophobicContact CG2-CE1 3.93Å; T415-F511 HydrophobicContact CG2-CE2 4.23Å; T415-F511 HydrophobicContact CG2-CZ 3.71Å; I416-F511 HydrophobicContact CB-CB 4.47Å; I416-F511 HydrophobicContact CG1-CB 4.18Å; I416-F511 HydrophobicContact CG1-CD1 3.68Å; I416-F511 HydrophobicContact CG1-CG 4.32Å; I416-F511 HydrophobicContact CG2-CB 4.29Å; L419-F511 HydrophobicContact CB-CD2 4.2Å; L419-F511 HydrophobicContact CD1-CD2 3.74Å; L419-F511 HydrophobicContact CD1-CE2 3.38Å; L419-F511 HydrophobicContact CD1-CZ 4.12Å; C420-F511 HydrophobicContact CB-CB 4.23Å; C420-F511 PolarHBondContact SG-O 3.45Å; C420-F511 VanDerWaalsContact SG-O 3.42Å; M479-F511 HydrophobicContact CE-CE2 3.99Å; M479-F511 HydrophobicContact CE-CZ 4.12Å; S495-F511 CarbonylContact C-O 3.41Å; S495-F511 WeakPolarHBondContact CA-O 3.39Å; S495-F511 VanDerWaalsContact CB-O 3.31Å; S495-F511 WeakPolarHBondContact CB-O 3.42Å; V496-F511 HydrophobicContact CG2-CB 3.91Å; V496-F511 HydrophobicContact CG2-CD2 4.19Å; V496-F511 PolarHBondContact N-O 3.35Å; V496-F511 PolarHBondContact O-N 3.17Å; C498-F511 HydrophobicContact CB-CD2 4.08Å; C498-F511 HydrophobicContact CB-CE2 3.76Å; K509-F511 HydrophobicContact CB-CE2 4.4Å; K509-F511 HydrophobicContact CB-CZ 4.17Å; K509-F511 HydrophobicContact CD-CE1 4.43Å; K509-F511 HydrophobicContact CD-CZ 4.29Å; F511-T564 HydrophobicContact CD1-CG2 3.5Å; F511-T564 HydrophobicContact CE1-CG2 3.96Å
512V97.5Very high82.9Confident0 Ų060.6 Ų60.60%032%0.324CS..EExtended strand (participates in β ladder)trans-123.2135.1-171.9-1700000109.6M494 A563 L589M494-V512 WeakPolarHBondContact O-CA 3.31Å; V512-A563 WeakPolarHBondContact CA-O 3.49Å; V512-A563 PolarHBondContact N-O 2.86Å; V512-A563 PolarHBondContact O-N 2.81Å; V512-A563 VanDerWaalsContact O-O 3.13Å; V512-L589 HydrophobicContact CB-CD1 4.39Å; V512-L589 HydrophobicContact CG1-CD1 4.21Å; V512-L589 HydrophobicContact CG2-CD1 4.19Å; V512-L589 HydrophobicContact CG2-CD2 3.83Å
513K97.1Very high84.3Confident12 Ų1251.7 Ų51.75%0.05229%0.286CS..EExtended strand (participates in β ladder)trans-129.4147.4167.373.6-177.2177.1-171.10110.3C420 E442 L445 S493 M494 A561 L562C420-K513 HydrophobicContact CB-CD 4.47Å; C420-K513 WeakPolarHBondContact O-CD 3.29Å; C420-K513 WeakPolarHBondContact O-CE 3.49Å; C420-K513 PolarHBondContact O-NZ 3Å; E442-K513 WeakPolarHBondContact OE1-CE 3.33Å; E442-K513 IonicContact OE1-NZ 2.71Å; E442-K513 PolarHBondContact OE1-NZ 2.82Å; E442-K513 IonicContact OE2-NZ 2.8Å; L445-K513 HydrophobicContact CD1-CD 3.97Å; S493-K513 CarbonylContact C-O 3.57Å; S493-K513 VanDerWaalsContact CA-O 3.23Å; S493-K513 WeakPolarHBondContact CA-O 3.41Å; S493-K513 WeakPolarHBondContact CB-O 3.11Å; M494-K513 HydrophobicContact CB-CG 4.32Å; M494-K513 PolarHBondContact N-O 3.48Å; M494-K513 PolarHBondContact O-N 3.17Å; M494-K513 WeakPolarHBondContact SD-CE 3.16Å; K513-A561 WeakPolarHBondContact CA-O 3.33Å; K513-L562 HydrophobicContact CB-CD2 3.58Å
514G93.1Very high86.3Confident3 Ų349 Ų493%0.03127%0.265CS..EExtended strand (participates in β ladder)trans176.3-169.6176.800000115.1K492 A561K492-G514 VanDerWaalsContact O-CA 3.3Å; K492-G514 WeakPolarHBondContact O-CA 3.49Å; G514-A561 PolarHBondContact N-O 3.46Å; G514-A561 VanDerWaalsContact N-O 3.11Å; G514-A561 PolarHBondContact O-N 2.94Å
515A88.7Confident88.6Confident30 Ų3039.4 Ų39.425%0.24823%0.231CC..  trans-58.7131.117500000110K492 E517 G518 V519K492-A515 HydrophobicContact CB-CB 3.77Å; K492-A515 HydrophobicContact CD-CB 4.19Å; K492-A515 PolarHBondContact O-N 3.46Å; A515-E517 PolarHBondContact O-N 3.4Å; A515-G518 PolarHBondContact O-N 2.9Å; A515-V519 WeakPolarHBondContact O-CG2 3.33Å; A515-V519 PolarHBondContact O-N 2.89Å; A515-V519 VanDerWaalsContact O-N 3.08Å
516P91Very high90.6Very high18 Ų1836.1 Ų36.112%0.11721%0.208CC..Hα-helixtrans-58.3-46.7-170.1-2531.9000114.8G518 V519 I520 I547 C559 A561P516-G518 PolarHBondContact O-N 2.75Å; P516-V519 PolarHBondContact O-N 3.09Å; P516-I520 HydrophobicContact CB-CD1 4.12Å; P516-I520 VanDerWaalsContact O-CB 3.24Å; P516-I520 WeakPolarHBondContact O-CB 3.28Å; P516-I520 WeakPolarHBondContact O-CD1 3.45Å; P516-I520 WeakPolarHBondContact O-CG1 3.49Å; P516-I520 PolarHBondContact O-N 3.17Å; P516-I547 HydrophobicContact CB-CD1 3.81Å; P516-I547 HydrophobicContact CB-CG2 3.96Å; P516-I547 HydrophobicContact CG-CG2 3.92Å; P516-C559 HydrophobicContact CG-CB 3.92Å; P516-A561 HydrophobicContact CB-CB 4.06Å; P516-A561 HydrophobicContact CG-CB 4.43Å
517E87.3Confident92.4Very high133 Ų13331 Ų3162%0.62117%0.17SC*.Hα-helixtrans-53.1-56.8178.6-67175.3176.400111.8A515 V519 I520 D521 M544A515-E517 PolarHBondContact O-N 3.4Å; E517-V519 PolarHBondContact O-N 2.89Å; E517-I520 PolarHBondContact O-N 2.72Å; E517-D521 WeakPolarHBondContact O-CB 3.29Å; E517-D521 PolarHBondContact O-N 3.17Å; E517-M544 HydrophobicContact CG-CE 3.58Å
518G87.1Confident93.3Very high26 Ų2628.4 Ų28.427%0.26815%0.154SC..Hα-helixtrans-70.1-29-175.400000114.4A515 P516 R522A515-G518 PolarHBondContact O-N 2.9Å; P516-G518 PolarHBondContact O-N 2.75Å; G518-R522 PolarHBondContact O-NE 2.74Å; G518-R522 PolarHBondContact O-NH2 3.16Å
519V94.4Very high93.6Very high0 Ų029.7 Ų29.70%017%0.168CC..Hα-helixtrans-76.9-45.7175.91740000110.5A515 P516 E517 D521 R522 C523 A561 A563 L589A515-V519 WeakPolarHBondContact O-CG2 3.33Å; A515-V519 PolarHBondContact O-N 2.89Å; A515-V519 VanDerWaalsContact O-N 3.08Å; P516-V519 PolarHBondContact O-N 3.09Å; E517-V519 PolarHBondContact O-N 2.89Å; V519-D521 VanDerWaalsContact C-N 3.31Å; V519-D521 PolarHBondContact O-N 2.88Å; V519-R522 PolarHBondContact O-N 3.26Å; V519-R522 VanDerWaalsContact O-N 3.08Å; V519-C523 PolarHBondContact O-N 3.31Å; V519-C523 PolarHBondContact O-SG 2.97Å; V519-A561 HydrophobicContact CB-CB 4.03Å; V519-A561 HydrophobicContact CG1-CB 4.08Å; V519-A563 HydrophobicContact CG1-CB 3.77Å; V519-L589 HydrophobicContact CG1-CD1 4.31Å
520I94.3Very high93.4Very high1 Ų132.5 Ų32.51%0.00519%0.186CC..Hα-helixtrans-66-35.1-178.8-66.1165.8000110.9P516 E517 R522 C523 L535 K540 I543 M544 I547 A561 F591P516-I520 HydrophobicContact CB-CD1 4.12Å; P516-I520 VanDerWaalsContact O-CB 3.24Å; P516-I520 WeakPolarHBondContact O-CB 3.28Å; P516-I520 WeakPolarHBondContact O-CD1 3.45Å; P516-I520 WeakPolarHBondContact O-CG1 3.49Å; P516-I520 PolarHBondContact O-N 3.17Å; E517-I520 PolarHBondContact O-N 2.72Å; I520-R522 PolarHBondContact O-N 3.24Å; I520-C523 WeakPolarHBondContact O-CB 3.39Å; I520-C523 PolarHBondContact O-N 3.13Å; I520-L535 HydrophobicContact CG2-CD2 4.41Å; I520-K540 HydrophobicContact CG2-CD 4.36Å; I520-K540 HydrophobicContact CG2-CG 3.91Å; I520-I543 HydrophobicContact CD1-CG2 3.76Å; I520-M544 HydrophobicContact CD1-SD 3.6Å; I520-M544 VanDerWaalsContact CD1-SD 3.6Å; I520-I547 HydrophobicContact CD1-CD1 3.6Å; I520-A561 HydrophobicContact CG1-CB 4.35Å; I520-F591 HydrophobicContact CD1-CD2 4.49Å; I520-F591 HydrophobicContact CD1-CE2 4.08Å; I520-F591 HydrophobicContact CG1-CD2 3.86Å; I520-F591 HydrophobicContact CG1-CE2 3.91Å
521D93.1Very high93.2Very high104 Ų10436.5 Ų36.556%0.55621%0.211SC*.THydrogen-bonded Turntrans-61.8-27.1174-76.1-17.9000113.3E517 V519 K540E517-D521 WeakPolarHBondContact O-CB 3.29Å; E517-D521 PolarHBondContact O-N 3.17Å; V519-D521 VanDerWaalsContact C-N 3.31Å; V519-D521 PolarHBondContact O-N 2.88Å; D521-K540 VanDerWaalsContact OD1-CE 3.28Å; D521-K540 WeakPolarHBondContact OD1-CE 3.46Å; D521-K540 IonicContact OD1-NZ 2.64Å; D521-K540 PolarHBondContact OD1-NZ 3.07Å
522R95.3Very high92.9Very high36 Ų3640 Ų4014%0.13623%0.226CC..THydrogen-bonded Turntrans-92.6-0.9175.9-69.2177.2-69.7161.3-5113R491 S493 G518 V519 I520 E586 D588 L589R491-R522 PolarHBondContact O-NH2 2.89Å; S493-R522 PolarHBondContact OG-NH1 3.15Å; S493-R522 PolarHBondContact OG-NH2 3.48Å; G518-R522 PolarHBondContact O-NE 2.74Å; G518-R522 PolarHBondContact O-NH2 3.16Å; V519-R522 PolarHBondContact O-N 3.26Å; V519-R522 VanDerWaalsContact O-N 3.08Å; I520-R522 PolarHBondContact O-N 3.24Å; R522-E586 WeakPolarHBondContact CD-O 3.23Å; R522-E586 IonicContact CZ-OE2 3.01Å; R522-E586 IonicContact NH1-OE2 3.95Å; R522-E586 PolarHBondContact NH1-OE2 2.76Å; R522-D588 PolarHBondContact O-N 2.99Å; R522-L589 HydrophobicContact CB-CD1 4.07Å; R522-L589 HydrophobicContact CB-CG 4.43Å; R522-L589 PolarHBondContact O-N 2.78Å
523C96.6Very high92.7Very high10 Ų1041.9 Ų41.97%0.06824%0.237CC..EExtended strand (participates in β ladder)trans-84.4128.2173.9-66.60000111V519 I520 L535 L589 F591V519-C523 PolarHBondContact O-N 3.31Å; V519-C523 PolarHBondContact O-SG 2.97Å; I520-C523 WeakPolarHBondContact O-CB 3.39Å; I520-C523 PolarHBondContact O-N 3.13Å; C523-L535 HydrophobicContact CB-CD2 4.04Å; C523-L535 WeakPolarHBondContact O-CD2 3.4Å; C523-L589 CarbonylContact C-O 3.56Å; C523-L589 WeakPolarHBondContact CA-O 3.2Å; C523-L589 HydrophobicContact CB-CB 4.42Å; C523-F591 HydrophobicContact CB-CB 4.26Å
524T95.6Very high92.6Very high62 Ų6245.5 Ų45.538%0.3826%0.262SS..EExtended strand (participates in β ladder)trans-99.7-20.3172.350.10000111.3L535 D588 L589T524-L535 PolarHBondContact O-N 3.32Å; T524-D588 WeakPolarHBondContact CB-OD1 3.48Å; T524-D588 WeakPolarHBondContact CG2-OD1 3.48Å; T524-D588 PolarHBondContact OG1-OD1 3.4Å; T524-L589 PolarHBondContact N-O 3.09Å; T524-L589 PolarHBondContact OG1-O 2.94Å
525H96.1Very high92.6Very high48 Ų4847 Ų4722%0.22227%0.269CS..EExtended strand (participates in β ladder)trans-137.1166.8-175.6-60.282000111.7K532 V533 L589 T590 F591H525-K532 HydrophobicContact CB-CD 4.19Å; H525-K532 VanDerWaalsContact CB-CE 3.42Å; H525-K532 HydrophobicContact CB-CG 3.68Å; H525-K532 WeakPolarHBondContact CD2-CE 3.36Å; H525-K532 WeakPolarHBondContact ND1-CE 3.4Å; H525-V533 CarbonylContact C-O 3.47Å; H525-V533 WeakPolarHBondContact CA-O 3.45Å; H525-V533 WeakPolarHBondContact CB-O 3.32Å; H525-L589 PolarHBondContact N-O 2.83Å; H525-T590 HydrophobicContact CB-CG2 4.2Å; H525-T590 CarbonylContact O-C 3.57Å; H525-T590 WeakPolarHBondContact O-CA 3.32Å; H525-F591 PolarHBondContact O-N 3.1Å
526V96Very high92.8Very high0 Ų046.7 Ų46.70%027%0.265CS..EExtended strand (participates in β ladder)trans-125.1147.3172.1-610000110.3L369 A372 V528 V533 L535 I539 I543 F591L369-V526 HydrophobicContact CD1-CB 4.43Å; L369-V526 HydrophobicContact CD2-CB 3.71Å; L369-V526 HydrophobicContact CD2-CG1 4.09Å; L369-V526 HydrophobicContact CD2-CG2 3.68Å; A372-V526 HydrophobicContact CB-CG2 4.46Å; V526-V528 HydrophobicContact CG2-CG2 4.39Å; V526-V533 HydrophobicContact CG2-CB 4.05Å; V526-V533 PolarHBondContact N-O 3.19Å; V526-V533 PolarHBondContact O-N 3.32Å; V526-L535 HydrophobicContact CG1-CB 4.13Å; V526-L535 HydrophobicContact CG1-CD1 3.36Å; V526-L535 HydrophobicContact CG1-CG 4.29Å; V526-I539 HydrophobicContact CG1-CG2 4.1Å; V526-I543 HydrophobicContact CG1-CD1 4.37Å; V526-F591 CarbonylContact C-O 3.55Å; V526-F591 HydrophobicContact CG1-CB 4.26Å
527R95.7Very high92.8Very high15 Ų1551.8 Ų51.86%0.05729%0.287CS..EExtended strand (participates in β ladder)trans-88.8127.2174.5-172.574.169.3-169.1-8.7109.7E412 G529 T564 D566 T590 F591 V592E412-R527 IonicContact OE1-CZ 3.85Å; E412-R527 IonicContact OE1-NE 3.44Å; E412-R527 IonicContact OE1-NH2 3.78Å; E412-R527 PolarHBondContact OE1-NH2 3.35Å; E412-R527 WeakPolarHBondContact OE2-CD 3.45Å; E412-R527 IonicContact OE2-CZ 2.75Å; E412-R527 IonicContact OE2-NE 3.61Å; E412-R527 PolarHBondContact OE2-NE 3.2Å; E412-R527 IonicContact OE2-NH2 3.2Å; E412-R527 PolarHBondContact OE2-NH2 2.74Å; R527-G529 WeakPolarHBondContact CD-O 3.33Å; R527-G529 VanDerWaalsContact CG-O 3.29Å; R527-G529 WeakPolarHBondContact CG-O 3.26Å; R527-T564 PolarHBondContact NH2-OG1 2.56Å; R527-D566 IonicContact CZ-OD1 2.85Å; R527-D566 IonicContact NH1-OD1 3.61Å; R527-D566 IonicContact NH2-OD1 3.36Å; R527-D566 PolarHBondContact NH2-OD1 3.07Å; R527-D566 IonicContact NH2-OD2 2.73Å; R527-T590 HydrophobicContact CB-CG2 4.08Å; R527-F591 WeakPolarHBondContact CB-O 3.46Å; R527-F591 PolarHBondContact N-O 2.98Å; R527-V592 HydrophobicContact CB-CG2 4.25Å
528V93.3Very high93Very high21 Ų2146.7 Ų46.713%0.12727%0.27CS..EExtended strand (participates in β ladder)trans-125.5103.5172-176.30000108.2L369 N370 A372 V526 N530 T531 V533L369-V528 HydrophobicContact CB-CG2 4.16Å; L369-V528 HydrophobicContact CD2-CG2 4.37Å; N370-V528 WeakPolarHBondContact O-CG1 3.3Å; A372-V528 HydrophobicContact CB-CG2 3.84Å; V526-V528 HydrophobicContact CG2-CG2 4.39Å; V528-N530 PolarHBondContact O-N 3.15Å; V528-N530 VanDerWaalsContact O-N 3.12Å; V528-T531 PolarHBondContact N-O 3.47Å; V528-T531 PolarHBondContact O-N 3.31Å; V528-T531 PolarHBondContact O-OG1 3.37Å; V528-V533 HydrophobicContact CG2-CG2 4.21Å
529G88.8Confident93.3Very high30 Ų3045.5 Ų45.531%0.30926%0.258SS..THydrogen-bonded Turntrans57.6-115-167.300000110.5R527R527-G529 WeakPolarHBondContact CD-O 3.33Å; R527-G529 VanDerWaalsContact CG-O 3.29Å; R527-G529 WeakPolarHBondContact CG-O 3.26Å
530N87.1Confident93.3Very high127 Ų12747.7 Ų47.768%0.67927%0.268SS*.THydrogen-bonded Turntrans-100.8-0.5176.6-151.45.7000113.5V528V528-N530 PolarHBondContact O-N 3.15Å; V528-N530 VanDerWaalsContact O-N 3.12Å
531T91.4Very high93.2Very high85 Ų8552.2 Ų52.252%0.52129%0.289SS..EExtended strand (participates in β ladder)trans-96.9152.9-176.664.80000112V528V528-T531 PolarHBondContact N-O 3.47Å; V528-T531 PolarHBondContact O-N 3.31Å; V528-T531 PolarHBondContact O-OG1 3.37Å
532K91.1Very high93.3Very high78 Ų7852 Ų5234%0.33928%0.283SS..EExtended strand (participates in β ladder)trans-109.7122.9178-179176.4-178159.30108.9H525 D566 T590H525-K532 HydrophobicContact CB-CD 4.19Å; H525-K532 VanDerWaalsContact CB-CE 3.42Å; H525-K532 HydrophobicContact CB-CG 3.68Å; H525-K532 WeakPolarHBondContact CD2-CE 3.36Å; H525-K532 WeakPolarHBondContact ND1-CE 3.4Å; K532-D566 WeakPolarHBondContact CD-OD2 3.38Å; K532-D566 IonicContact NZ-OD2 3.01Å; K532-D566 PolarHBondContact NZ-OD2 2.69Å; K532-T590 WeakPolarHBondContact CE-OG1 3.07Å; K532-T590 HydrophobicContact CG-CG2 4.3Å; K532-T590 PolarHBondContact NZ-OG1 3.21Å
533V93.5Very high93.2Very high41 Ų4150.2 Ų50.225%0.24828%0.276CS..EExtended strand (participates in β ladder)trans-121.7142.6-178.4-177.10000109.2A372 H525 V526 V528A372-V533 HydrophobicContact CB-CG1 4.39Å; H525-V533 CarbonylContact C-O 3.47Å; H525-V533 WeakPolarHBondContact CA-O 3.45Å; H525-V533 WeakPolarHBondContact CB-O 3.32Å; V526-V533 HydrophobicContact CG2-CB 4.05Å; V526-V533 PolarHBondContact N-O 3.19Å; V526-V533 PolarHBondContact O-N 3.32Å; V528-V533 HydrophobicContact CG2-CG2 4.21Å
534P94.5Very high93Very high88 Ų8851 Ų5157%0.57128%0.279SS*.EExtended strand (participates in β ladder)trans-58.6140.3175.5-24.534.7000112.7S536P534-S536 PolarHBondContact O-N 3.4Å
535L93.1Very high92.9Very high34 Ų3450 Ų5018%0.17828%0.275CS..  trans-79.5105.1175.4179.168.2000109.6I520 C523 T524 V526 I539 K540 I543I520-L535 HydrophobicContact CG2-CD2 4.41Å; C523-L535 HydrophobicContact CB-CD2 4.04Å; C523-L535 WeakPolarHBondContact O-CD2 3.4Å; T524-L535 PolarHBondContact O-N 3.32Å; V526-L535 HydrophobicContact CG1-CB 4.13Å; V526-L535 HydrophobicContact CG1-CD1 3.36Å; V526-L535 HydrophobicContact CG1-CG 4.29Å; L535-I539 HydrophobicContact CD1-CB 4.17Å; L535-I539 HydrophobicContact CD1-CG2 3.77Å; L535-K540 HydrophobicContact CD1-CB 4.12Å; L535-K540 HydrophobicContact CD2-CB 4.44Å; L535-K540 HydrophobicContact CG-CB 4.32Å; L535-I543 HydrophobicContact CD1-CD1 4.38Å
536S93.4Very high92.7Very high23 Ų2347.8 Ų47.816%0.16126%0.264CS..  trans-83.4164.2171.161.80000111.9G374 P534 G538 I539 K540G374-S536 PolarHBondContact O-OG 3.39Å; P534-S536 PolarHBondContact O-N 3.4Å; S536-G538 PolarHBondContact O-N 3.42Å; S536-I539 PolarHBondContact O-N 3.45Å; S536-I539 VanDerWaalsContact OG-CD1 3.24Å; S536-I539 WeakPolarHBondContact OG-CD1 3.5Å; S536-I539 WeakPolarHBondContact OG-CG1 3.4Å; S536-K540 PolarHBondContact O-N 3.12Å
537Q91.4Very high92.5Very high125 Ų12548.4 Ų48.458%0.58427%0.268SS*.Hα-helixtrans-65.9-38.9-176.8-172.163.820.700111.9K540 E541Q537-K540 PolarHBondContact O-N 2.94Å; Q537-E541 PolarHBondContact O-N 3.15Å
538G91.8Very high92Very high26 Ų2653.4 Ų53.427%0.26829%0.287SS..Hα-helixtrans-62.5-40175.200000113.2E375 S536 E541 K542E375-G538 CarbonylContact O-C 3.47Å; E375-G538 WeakPolarHBondContact O-CA 3.26Å; E375-G538 WeakPolarHBondContact OE2-CA 3.21Å; E375-G538 PolarHBondContact OE2-N 3.27Å; S536-G538 PolarHBondContact O-N 3.42Å; G538-E541 PolarHBondContact O-N 3.12Å; G538-K542 PolarHBondContact O-N 2.92Å
539I93.4Very high91.8Very high2 Ų258.3 Ų58.31%0.0131%0.308CS..Hα-helixtrans-64.8-45.8175.1-63.4173.3000110.4L369 A372 C377 V526 L535 S536 E541 K542 I543L369-I539 HydrophobicContact CD2-CG2 4.09Å; A372-I539 HydrophobicContact CB-CD1 3.89Å; C377-I539 HydrophobicContact CB-CG1 3.97Å; C377-I539 HydrophobicContact CB-CG2 4.21Å; V526-I539 HydrophobicContact CG1-CG2 4.1Å; L535-I539 HydrophobicContact CD1-CB 4.17Å; L535-I539 HydrophobicContact CD1-CG2 3.77Å; S536-I539 PolarHBondContact O-N 3.45Å; S536-I539 VanDerWaalsContact OG-CD1 3.24Å; S536-I539 WeakPolarHBondContact OG-CD1 3.5Å; S536-I539 WeakPolarHBondContact OG-CG1 3.4Å; I539-E541 PolarHBondContact O-N 2.98Å; I539-K542 PolarHBondContact O-N 2.96Å; I539-I543 HydrophobicContact CG2-CD1 3.82Å; I539-I543 HydrophobicContact CG2-CG1 4.49Å; I539-I543 WeakPolarHBondContact O-CG1 3.47Å; I539-I543 PolarHBondContact O-N 3.26Å
540K93.8Very high91.9Very high46 Ų4657.1 Ų57.120%0.229%0.294CS..Hα-helixtrans-58.1-47.2177.9-176176178.2176.70111.7I520 D521 L535 S536 Q537 K542 I543 M544I520-K540 HydrophobicContact CG2-CD 4.36Å; I520-K540 HydrophobicContact CG2-CG 3.91Å; D521-K540 VanDerWaalsContact OD1-CE 3.28Å; D521-K540 WeakPolarHBondContact OD1-CE 3.46Å; D521-K540 IonicContact OD1-NZ 2.64Å; D521-K540 PolarHBondContact OD1-NZ 3.07Å; L535-K540 HydrophobicContact CD1-CB 4.12Å; L535-K540 HydrophobicContact CD2-CB 4.44Å; L535-K540 HydrophobicContact CG-CB 4.32Å; S536-K540 PolarHBondContact O-N 3.12Å; Q537-K540 PolarHBondContact O-N 2.94Å; K540-K542 VanDerWaalsContact C-N 3.35Å; K540-K542 PolarHBondContact O-N 2.84Å; K540-I543 PolarHBondContact O-N 2.94Å; K540-M544 WeakPolarHBondContact O-CB 3.5Å; K540-M544 WeakPolarHBondContact O-CG 3.22Å; K540-M544 PolarHBondContact O-N 3.24Å
541E92.9Very high91.5Very high96 Ų9652.5 Ų52.545%0.44928%0.276SS..Hα-helixtrans-63.9-40.4179.4-170.760.4-156.600111.5Q537 G538 I539 M544 S545 R548Q537-E541 PolarHBondContact O-N 3.15Å; G538-E541 PolarHBondContact O-N 3.12Å; I539-E541 PolarHBondContact O-N 2.98Å; E541-M544 PolarHBondContact O-N 3.06Å; E541-S545 WeakPolarHBondContact O-CB 3.31Å; E541-S545 PolarHBondContact O-N 2.83Å; E541-R548 IonicContact OE1-CZ 3.73Å; E541-R548 IonicContact OE1-NH1 3.88Å; E541-R548 IonicContact OE1-NH2 2.7Å; E541-R548 PolarHBondContact OE1-NH2 3.27Å; E541-R548 IonicContact OE2-NH2 3.79Å
542K94Very high90.8Very high98 Ų9854 Ų5443%0.42629%0.285SS..Hα-helixtrans-62.7-46.1176.6-177.356.9-179.9167.40111.9G538 I539 K540 S545 V546G538-K542 PolarHBondContact O-N 2.92Å; I539-K542 PolarHBondContact O-N 2.96Å; K540-K542 VanDerWaalsContact C-N 3.35Å; K540-K542 PolarHBondContact O-N 2.84Å; K542-S545 PolarHBondContact O-N 3.41Å; K542-S545 PolarHBondContact O-OG 3.07Å; K542-V546 PolarHBondContact O-N 2.77Å
543I94.2Very high90Very high0 Ų051.6 Ų51.60%028%0.283CS..Hα-helixtrans-59.1-49175.9-67.7166.6000110.4F367 L369 L379 I520 V526 L535 I539 K540 S545 V546 I547 F591F367-I543 HydrophobicContact CE2-CG2 4.2Å; F367-I543 HydrophobicContact CZ-CG2 4.07Å; L369-I543 HydrophobicContact CD1-CD1 4.15Å; L379-I543 HydrophobicContact CD2-CG1 4.43Å; I520-I543 HydrophobicContact CD1-CG2 3.76Å; V526-I543 HydrophobicContact CG1-CD1 4.37Å; L535-I543 HydrophobicContact CD1-CD1 4.38Å; I539-I543 HydrophobicContact CG2-CD1 3.82Å; I539-I543 HydrophobicContact CG2-CG1 4.49Å; I539-I543 WeakPolarHBondContact O-CG1 3.47Å; I539-I543 PolarHBondContact O-N 3.26Å; K540-I543 PolarHBondContact O-N 2.94Å; I543-S545 VanDerWaalsContact C-N 3.28Å; I543-S545 PolarHBondContact O-N 2.89Å; I543-V546 PolarHBondContact O-N 3.28Å; I543-I547 HydrophobicContact CG2-CD1 3.71Å; I543-I547 WeakPolarHBondContact O-CD1 3.11Å; I543-I547 WeakPolarHBondContact O-CG1 3.23Å; I543-I547 PolarHBondContact O-N 3.01Å; I543-I547 VanDerWaalsContact O-N 3.14Å; I543-F591 HydrophobicContact CD1-CD1 3.92Å; I543-F591 HydrophobicContact CD1-CE1 3.92Å; I543-F591 HydrophobicContact CG1-CE1 4.39Å; I543-F591 HydrophobicContact CG2-CE1 4.06Å; I543-F591 HydrophobicContact CG2-CE2 4.29Å; I543-F591 HydrophobicContact CG2-CZ 3.76Å
544M92.6Very high88.9Confident25 Ų2558.1 Ų58.112%0.12330%0.303CS..Hα-helixtrans-65-28.7179.6-73.9-58.4-61.900113.4E517 I520 K540 E541 I547 R548E517-M544 HydrophobicContact CG-CE 3.58Å; I520-M544 HydrophobicContact CD1-SD 3.6Å; I520-M544 VanDerWaalsContact CD1-SD 3.6Å; K540-M544 WeakPolarHBondContact O-CB 3.5Å; K540-M544 WeakPolarHBondContact O-CG 3.22Å; K540-M544 PolarHBondContact O-N 3.24Å; E541-M544 PolarHBondContact O-N 3.06Å; M544-I547 HydrophobicContact SD-CD1 4.17Å; M544-R548 WeakPolarHBondContact O-CB 3.32Å; M544-R548 WeakPolarHBondContact O-CG 3.22Å; M544-R548 PolarHBondContact O-N 3.32Å; M544-R548 PolarHBondContact O-NE 2.9Å; M544-R548 VanDerWaalsContact O-NE 3.17Å
545S92.8Very high87.9Confident42 Ų4255.7 Ų55.729%0.29429%0.285SS..Hα-helixtrans-67.2-44175.773.70000112.1E541 K542 I543 R548 E549E541-S545 WeakPolarHBondContact O-CB 3.31Å; E541-S545 PolarHBondContact O-N 2.83Å; K542-S545 PolarHBondContact O-N 3.41Å; K542-S545 PolarHBondContact O-OG 3.07Å; I543-S545 VanDerWaalsContact C-N 3.28Å; I543-S545 PolarHBondContact O-N 2.89Å; S545-R548 WeakPolarHBondContact O-CB 3.29Å; S545-R548 PolarHBondContact O-N 3.26Å; S545-E549 PolarHBondContact O-N 3.28Å
546V92.4Very high87.3Confident1 Ų154.8 Ų54.81%0.00628%0.281CS..Hα-helixtrans-69.5-37.2178.8177.20000111.1F367 L379 K542 I543 R548 E549 Y550F367-V546 HydrophobicContact CD1-CG1 3.92Å; F367-V546 HydrophobicContact CE1-CB 4.36Å; F367-V546 HydrophobicContact CE1-CG1 3.85Å; L379-V546 HydrophobicContact CD1-CB 4.22Å; L379-V546 HydrophobicContact CD1-CG2 3.73Å; K542-V546 PolarHBondContact O-N 2.77Å; I543-V546 PolarHBondContact O-N 3.28Å; V546-R548 VanDerWaalsContact C-N 3.33Å; V546-R548 PolarHBondContact O-N 2.93Å; V546-E549 WeakPolarHBondContact O-CB 3.24Å; V546-E549 PolarHBondContact O-N 3.26Å; V546-Y550 HydrophobicContact CG1-CD1 4.31Å; V546-Y550 HydrophobicContact CG1-CE1 4.04Å; V546-Y550 PolarHBondContact O-N 3.22Å
547I90.6Very high87Confident14 Ų1454 Ų547%0.07228%0.276CS..Hα-helixtrans-62.6-41.8173.6-68.6159.2000111.1F367 P516 I520 I543 M544 Y550 G551 C559F367-I547 HydrophobicContact CE1-CG1 3.96Å; F367-I547 HydrophobicContact CZ-CD1 4.21Å; F367-I547 HydrophobicContact CZ-CG1 3.87Å; P516-I547 HydrophobicContact CB-CD1 3.81Å; P516-I547 HydrophobicContact CB-CG2 3.96Å; P516-I547 HydrophobicContact CG-CG2 3.92Å; I520-I547 HydrophobicContact CD1-CD1 3.6Å; I543-I547 HydrophobicContact CG2-CD1 3.71Å; I543-I547 WeakPolarHBondContact O-CD1 3.11Å; I543-I547 WeakPolarHBondContact O-CG1 3.23Å; I543-I547 PolarHBondContact O-N 3.01Å; I543-I547 VanDerWaalsContact O-N 3.14Å; M544-I547 HydrophobicContact SD-CD1 4.17Å; I547-Y550 PolarHBondContact O-N 3.1Å; I547-G551 PolarHBondContact O-N 2.77Å; I547-C559 HydrophobicContact CG2-CB 4.01Å
548R87.1Confident86.8Confident120 Ų12053.8 Ų53.845%0.45327%0.269SS..Hα-helixtrans-62.4-43174.5-82.8178.8-85.2169-9.4111.2E541 M544 S545 V546 G551 T552E541-R548 IonicContact OE1-CZ 3.73Å; E541-R548 IonicContact OE1-NH1 3.88Å; E541-R548 IonicContact OE1-NH2 2.7Å; E541-R548 PolarHBondContact OE1-NH2 3.27Å; E541-R548 IonicContact OE2-NH2 3.79Å; M544-R548 WeakPolarHBondContact O-CB 3.32Å; M544-R548 WeakPolarHBondContact O-CG 3.22Å; M544-R548 PolarHBondContact O-N 3.32Å; M544-R548 PolarHBondContact O-NE 2.9Å; M544-R548 VanDerWaalsContact O-NE 3.17Å; S545-R548 WeakPolarHBondContact O-CB 3.29Å; S545-R548 PolarHBondContact O-N 3.26Å; V546-R548 VanDerWaalsContact C-N 3.33Å; V546-R548 PolarHBondContact O-N 2.93Å; R548-G551 PolarHBondContact O-N 3.04Å; R548-T552 WeakPolarHBondContact O-CB 3.31Å; R548-T552 PolarHBondContact O-N 3.28Å; R548-T552 PolarHBondContact O-OG1 2.87Å
549E89Confident86.8Confident124 Ų12453.5 Ų53.558%0.57926%0.263SS*.Hα-helixtrans-59.9-46.7175.1-176.7177.4176.400112S545 V546 G551 G553S545-E549 PolarHBondContact O-N 3.28Å; V546-E549 WeakPolarHBondContact O-CB 3.24Å; V546-E549 PolarHBondContact O-N 3.26Å; E549-G551 PolarHBondContact O-N 3.38Å; E549-G553 VanDerWaalsContact O-CA 3.24Å; E549-G553 WeakPolarHBondContact O-CA 3.47Å; E549-G553 PolarHBondContact O-N 2.78Å
550Y89Confident86.9Confident5 Ų554.3 Ų54.32%0.0227%0.267CS..Hα-helixtrans-61.2-43.2175.9-79.311.7000112R365 F367 E381 V546 I547 T556 L557 C559R365-Y550 HydrophobicContact CB-CD2 4.16Å; R365-Y550 HydrophobicContact CB-CE1 4.48Å; R365-Y550 HydrophobicContact CB-CE2 3.5Å; R365-Y550 HydrophobicContact CG-CE1 4.45Å; R365-Y550 HydrophobicContact CG-CE2 4.29Å; F367-Y550 AromaticContact CD1-CE2 3.86Å; F367-Y550 HydrophobicContact CD1-CE2 3.86Å; F367-Y550 HydrophobicContact CE1-CE2 4.4Å; E381-Y550 PolarHBondContact OE2-OH 2.86Å; V546-Y550 HydrophobicContact CG1-CD1 4.31Å; V546-Y550 HydrophobicContact CG1-CE1 4.04Å; V546-Y550 PolarHBondContact O-N 3.22Å; I547-Y550 PolarHBondContact O-N 3.1Å; Y550-T556 CarbonylContact O-C 3.18Å; Y550-T556 WeakPolarHBondContact O-CA 3.49Å; Y550-T556 PolarHBondContact O-N 3.26Å; Y550-L557 HydrophobicContact CD2-CD1 4.06Å; Y550-L557 HydrophobicContact CG-CD1 4.09Å; Y550-L557 PolarHBondContact O-N 3.07Å; Y550-C559 VanDerWaalsContact CB-SG 3.58Å
551G79.9Confident87Confident29 Ų2952.1 Ų52.130%0.29926%0.257SS..Hα-helixtrans-78.7-27-175.400000115.4I547 R548 E549I547-G551 PolarHBondContact O-N 2.77Å; R548-G551 PolarHBondContact O-N 3.04Å; E549-G551 PolarHBondContact O-N 3.38Å
552T75.9Confident87.3Confident116 Ų11647.5 Ų47.571%0.71224%0.236SC*.Hα-helixtrans-121-12.1-173.862.70000114.7R548R548-T552 WeakPolarHBondContact O-CB 3.31Å; R548-T552 PolarHBondContact O-N 3.28Å; R548-T552 PolarHBondContact O-OG1 2.87Å
553G74.4Confident87.5Confident28 Ų2842.9 Ų42.929%0.28922%0.216SC..SBendtrans-76.8-164.6175.700000112.9E549 D555 T556E549-G553 VanDerWaalsContact O-CA 3.24Å; E549-G553 WeakPolarHBondContact O-CA 3.47Å; E549-G553 PolarHBondContact O-N 2.78Å; G553-D555 PolarHBondContact O-N 3.31Å; G553-D555 VanDerWaalsContact O-N 3.13Å; G553-T556 WeakPolarHBondContact O-CG2 3.2Å; G553-T556 PolarHBondContact O-N 2.68Å
554R71.2Confident87.6Confident178 Ų17842.9 Ų42.967%0.67222%0.216SC*.THydrogen-bonded Turntrans-59.8-24.4179.3-71.8-173-171.3-154.1-0.9114E642R554-E642 IonicContact CZ-OE1 2.65Å; R554-E642 IonicContact CZ-OE2 3.91Å; R554-E642 IonicContact NH1-OE1 3.34Å; R554-E642 PolarHBondContact NH1-OE1 2.93Å; R554-E642 IonicContact NH2-OE1 2.91Å; R554-E642 PolarHBondContact NH2-OE1 2.97Å; R554-E642 IonicContact NH2-OE2 3.62Å; R554-E642 PolarHBondContact NH2-OE2 3.06Å
555D72.9Confident87.8Confident37 Ų3743.3 Ų43.320%0.19822%0.216CC..THydrogen-bonded Turntrans-81-29.6-176.4-69.4-23000112.1R365 G553 L557R365-D555 IonicContact CZ-OD2 2.66Å; R365-D555 IonicContact NE-OD2 2.87Å; R365-D555 PolarHBondContact NE-OD2 2.9Å; R365-D555 IonicContact NH2-OD2 2.78Å; R365-D555 PolarHBondContact NH2-OD2 3.28Å; G553-D555 PolarHBondContact O-N 3.31Å; G553-D555 VanDerWaalsContact O-N 3.13Å; D555-L557 VanDerWaalsContact C-N 3.26Å; D555-L557 HydrophobicContact CB-CD1 3.99Å; D555-L557 HydrophobicContact CB-CD2 4Å; D555-L557 HydrophobicContact CB-CG 3.68Å; D555-L557 WeakPolarHBondContact O-CD2 3.47Å; D555-L557 PolarHBondContact O-N 3.14Å
556T80.8Confident87.7Confident15 Ų1542.5 Ų42.59%0.09221%0.208CC..  trans39.150.6-17851.80000114.5Y550 G553 A632Y550-T556 CarbonylContact O-C 3.18Å; Y550-T556 WeakPolarHBondContact O-CA 3.49Å; Y550-T556 PolarHBondContact O-N 3.26Å; G553-T556 WeakPolarHBondContact O-CG2 3.2Å; G553-T556 PolarHBondContact O-N 2.68Å; T556-A632 HydrophobicContact CG2-CB 3.26Å; T556-A632 WeakPolarHBondContact OG1-CB 3.38Å
557L86.8Confident87.6Confident8 Ų846.3 Ų46.34%0.04224%0.235CC..  trans-79.7144.4-173.9-54177.6000111.4R365 Y550 D555 C559 M597 L598R365-L557 HydrophobicContact CB-CD1 3.68Å; R365-L557 HydrophobicContact CG-CD1 3.52Å; Y550-L557 HydrophobicContact CD2-CD1 4.06Å; Y550-L557 HydrophobicContact CG-CD1 4.09Å; Y550-L557 PolarHBondContact O-N 3.07Å; D555-L557 VanDerWaalsContact C-N 3.26Å; D555-L557 HydrophobicContact CB-CD1 3.99Å; D555-L557 HydrophobicContact CB-CD2 4Å; D555-L557 HydrophobicContact CB-CG 3.68Å; D555-L557 WeakPolarHBondContact O-CD2 3.47Å; D555-L557 PolarHBondContact O-N 3.14Å; L557-C559 PolarHBondContact O-N 3.35Å; L557-M597 WeakPolarHBondContact CA-O 3.32Å; L557-L598 HydrophobicContact CD2-CB 3.89Å; L557-L598 HydrophobicContact CD2-CD2 3.33Å; L557-L598 HydrophobicContact CD2-CG 4.21Å
558R88Confident87.7Confident120 Ų12046.6 Ų46.645%0.45324%0.238SC..EExtended strand (participates in β ladder)trans-74107.6160.5-179.2173.9179.4160.6-4108.8T441 M597T441-R558 PolarHBondContact OG1-NH1 3.24Å; R558-M597 HydrophobicContact CB-CG 3.93Å; R558-M597 HydrophobicContact CG-CG 4.37Å; R558-M597 PolarHBondContact N-O 2.88Å; R558-M597 WeakPolarHBondContact O-CG 3.33Å; R558-M597 PolarHBondContact O-N 3.29Å
559C91.3Very high87.8Confident19 Ų1942.5 Ų42.513%0.12823%0.227CC..EExtended strand (participates in β ladder)trans-88.9137.6179.6-63.40000112.4P516 I547 Y550 L557 V595P516-C559 HydrophobicContact CG-CB 3.92Å; I547-C559 HydrophobicContact CG2-CB 4.01Å; Y550-C559 VanDerWaalsContact CB-SG 3.58Å; L557-C559 PolarHBondContact O-N 3.35Å; C559-V595 CarbonylContact C-O 3.54Å; C559-V595 VanDerWaalsContact CA-O 3.31Å; C559-V595 WeakPolarHBondContact CA-O 3.49Å
560L95.2Very high87.6Confident19 Ų1943 Ų4310%0.09923%0.227CC..EExtended strand (participates in β ladder)trans-123.9126.6168.1-72.1176.4000109.8T441 L445 C594 V595 M597T441-L560 HydrophobicContact CG2-CD1 3.78Å; L445-L560 HydrophobicContact CD1-CD1 4.34Å; L560-C594 WeakPolarHBondContact O-CA 3.22Å; L560-C594 PolarHBondContact O-SG 2.96Å; L560-C594 VanDerWaalsContact O-SG 3.33Å; L560-V595 HydrophobicContact CB-CG2 3.9Å; L560-V595 PolarHBondContact N-O 2.97Å; L560-V595 PolarHBondContact O-N 3.22Å; L560-M597 HydrophobicContact CD1-CE 3.74Å; L560-M597 HydrophobicContact CG-CE 4.39Å
561A96.9Very high87.2Confident0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-82139.9169.600000110.1K513 G514 P516 V519 I520 F591K513-A561 WeakPolarHBondContact CA-O 3.33Å; G514-A561 PolarHBondContact N-O 3.46Å; G514-A561 VanDerWaalsContact N-O 3.11Å; G514-A561 PolarHBondContact O-N 2.94Å; P516-A561 HydrophobicContact CB-CB 4.06Å; P516-A561 HydrophobicContact CG-CB 4.43Å; V519-A561 HydrophobicContact CB-CB 4.03Å; V519-A561 HydrophobicContact CG1-CB 4.08Å; I520-A561 HydrophobicContact CG1-CB 4.35Å; A561-F591 HydrophobicContact CB-CE2 3.94Å
562L98Very high87.4Confident0 Ų052.2 Ų52.20%027%0.267CS..EExtended strand (participates in β ladder)trans-120.4125.7-178.8-56.1174.8000108.2L413 I416 C417 K513 V592 G593 V595L413-L562 HydrophobicContact CD1-CD1 4.27Å; L413-L562 HydrophobicContact CD2-CD1 3.99Å; L413-L562 HydrophobicContact CG-CD1 3.67Å; I416-L562 HydrophobicContact CD1-CB 3.85Å; I416-L562 HydrophobicContact CG2-CB 4.14Å; I416-L562 HydrophobicContact CG2-CD2 3.81Å; I416-L562 HydrophobicContact CG2-CG 4.45Å; C417-L562 VanDerWaalsContact SG-CD1 3.59Å; K513-L562 HydrophobicContact CB-CD2 3.58Å; L562-V592 PolarHBondContact O-N 3.23Å; L562-G593 PolarHBondContact N-O 2.94Å; L562-G593 PolarHBondContact O-N 3.35Å; L562-V595 HydrophobicContact CD1-CG1 3.84Å; L562-V595 HydrophobicContact CD1-CG2 4.26Å
563A97.8Very high87.8Confident0 Ų052 Ų520%026%0.261CS..EExtended strand (participates in β ladder)trans-141.9161.6-176.200000111V512 V519 L589 T590V512-A563 WeakPolarHBondContact CA-O 3.49Å; V512-A563 PolarHBondContact N-O 2.86Å; V512-A563 PolarHBondContact O-N 2.81Å; V512-A563 VanDerWaalsContact O-O 3.13Å; V519-A563 HydrophobicContact CG1-CB 3.77Å; A563-L589 HydrophobicContact CB-CB 4.15Å; A563-L589 HydrophobicContact CB-CD1 4.27Å; A563-T590 CarbonylContact C-O 3.54Å; A563-T590 VanDerWaalsContact CA-O 3.25Å; A563-T590 WeakPolarHBondContact CA-O 3.38Å; A563-T590 WeakPolarHBondContact CB-O 3.12Å
564T97.2Very high88.3Confident0 Ų051.1 Ų51.10%025%0.25CC..EExtended strand (participates in β ladder)trans-130.1142.5176.664.30000111.5E412 I416 M510 F511 R527 T590 V592E412-T564 HydrophobicContact CG-CG2 4.14Å; E412-T564 VanDerWaalsContact OE1-CG2 3.27Å; E412-T564 WeakPolarHBondContact OE1-CG2 3.45Å; E412-T564 PolarHBondContact OE1-OG1 2.92Å; I416-T564 HydrophobicContact CD1-CG2 3.59Å; I416-T564 HydrophobicContact CG1-CG2 3.76Å; M510-T564 CarbonylContact O-C 3.48Å; M510-T564 VanDerWaalsContact O-CA 3.26Å; M510-T564 WeakPolarHBondContact O-CA 2.98Å; F511-T564 HydrophobicContact CD1-CG2 3.5Å; F511-T564 HydrophobicContact CE1-CG2 3.96Å; R527-T564 PolarHBondContact NH2-OG1 2.56Å; T564-T590 PolarHBondContact N-O 2.83Å; T564-T590 PolarHBondContact O-N 3.05Å; T564-V592 HydrophobicContact CG2-CG2 3.93Å
565R95.9Very high89Confident35 Ų3545.5 Ų45.513%0.13224%0.235CC..EExtended strand (participates in β ladder)trans-95.3109165.8-161.5175.5174.5156.911.7107.6M510 S567 P568 E584 Y585 S587 L589M510-R565 HydrophobicContact CB-CB 3.95Å; M510-R565 PolarHBondContact N-O 3.48Å; M510-R565 VanDerWaalsContact N-O 3.16Å; M510-R565 PolarHBondContact O-N 3.38Å; R565-S567 VanDerWaalsContact C-N 3.29Å; R565-S567 PolarHBondContact NE-O 2.73Å; R565-S567 PolarHBondContact O-N 2.91Å; R565-P568 HydrophobicContact CG-CB 4.47Å; R565-E584 PolarHBondContact NH1-O 3.24Å; R565-Y585 WeakPolarHBondContact CD-O 3.22Å; R565-Y585 PolarHBondContact NH1-O 2.99Å; R565-S587 WeakPolarHBondContact CD-O 3.35Å; R565-S587 VanDerWaalsContact CZ-O 3.25Å; R565-S587 PolarHBondContact NE-O 3.5Å; R565-S587 PolarHBondContact NH1-O 3.47Å; R565-L589 HydrophobicContact CB-CD2 3.81Å; R565-L589 HydrophobicContact CG-CD2 4.29Å
566D91.5Very high89.2Confident24 Ų2447.4 Ų47.413%0.12825%0.245CC..SBendtrans-69.3-28-177.4-64.9-62.5000113R527 K532 T590R527-D566 IonicContact CZ-OD1 2.85Å; R527-D566 IonicContact NH1-OD1 3.61Å; R527-D566 IonicContact NH2-OD1 3.36Å; R527-D566 PolarHBondContact NH2-OD1 3.07Å; R527-D566 IonicContact NH2-OD2 2.73Å; K532-D566 WeakPolarHBondContact CD-OD2 3.38Å; K532-D566 IonicContact NZ-OD2 3.01Å; K532-D566 PolarHBondContact NZ-OD2 2.69Å; D566-T590 PolarHBondContact OD2-OG1 2.83Å
567S90.6Very high88.9Confident82 Ų8252.1 Ų52.157%0.57328%0.278SS*.SBendtrans-134.475.8-178.3-60.40000109.6R565R565-S567 VanDerWaalsContact C-N 3.29Å; R565-S567 PolarHBondContact NE-O 2.73Å; R565-S567 PolarHBondContact O-N 2.91Å
568P91.7Very high88.3Confident20 Ų2054.8 Ų54.813%0.1329%0.292CS..PPolyproline II helixtrans-73.2157.1177.933.3-35.7000111.7Y497 G508 M510 R565Y497-P568 HydrophobicContact CD2-CB 4.11Å; Y497-P568 HydrophobicContact CD2-CG 4.11Å; Y497-P568 HydrophobicContact CE2-CB 3.76Å; Y497-P568 HydrophobicContact CE2-CG 3.49Å; Y497-P568 VanDerWaalsContact CE2-CG 3.49Å; G508-P568 WeakPolarHBondContact O-CD 3.39Å; G508-P568 WeakPolarHBondContact O-CG 2.98Å; M510-P568 HydrophobicContact CB-CB 4.38Å; M510-P568 HydrophobicContact CG-CB 3.59Å; M510-P568 HydrophobicContact CG-CG 4.21Å; M510-P568 HydrophobicContact SD-CB 3.55Å; M510-P568 VanDerWaalsContact SD-CB 3.55Å; R565-P568 HydrophobicContact CG-CB 4.47Å
569P89.4Confident87.6Confident33 Ų3351.2 Ų51.221%0.21428%0.284CS..PPolyproline II helixtrans-59.8154.4169.226.7-33.3000110.5Y497 M574 Y585Y497-P569 WeakPolarHBondContact CE2-O 3.43Å; P569-M574 HydrophobicContact CB-CG 4.31Å; P569-M574 HydrophobicContact CG-CG 3.9Å; P569-M574 HydrophobicContact CG-SD 4.02Å; P569-Y585 HydrophobicContact CG-CD1 4.2Å
570K85.3Confident86.8Confident136 Ų13653.4 Ų53.459%0.59130%0.303SS*.PPolyproline II helixtrans-65.9148.7175.4-64.7178.5-178.7176.60109.4E572 D573 M574K570-E572 PolarHBondContact O-N 2.78Å; K570-E572 VanDerWaalsContact O-N 3.16Å; K570-D573 PolarHBondContact O-N 2.71Å; K570-M574 WeakPolarHBondContact O-CG 3.39Å; K570-M574 PolarHBondContact O-N 2.96Å
571T80.6Confident86.2Confident59 Ų5956 Ų5636%0.36231%0.314SS..G310 helixtrans-57.4-31.4178.945.10000113.1Y497 D573 M574Y497-T571 HydrophobicContact CD1-CG2 3.73Å; Y497-T571 HydrophobicContact CD2-CG2 4.43Å; Y497-T571 HydrophobicContact CE1-CG2 3.63Å; Y497-T571 HydrophobicContact CE2-CG2 4.35Å; Y497-T571 HydrophobicContact CG-CG2 4.14Å; T571-D573 VanDerWaalsContact C-N 3.27Å; T571-D573 PolarHBondContact O-N 2.8Å; T571-M574 PolarHBondContact O-N 3.13Å
572E83.5Confident85.7Confident168 Ų16856.2 Ų56.279%0.78532%0.315SS*.G310 helixtrans-64-30.5175.7-65.5160.8-160.300113K570 M574K570-E572 PolarHBondContact O-N 2.78Å; K570-E572 VanDerWaalsContact O-N 3.16Å; E572-M574 VanDerWaalsContact C-N 3.32Å
573D85.3Confident85.1Confident110 Ų11058.3 Ų58.359%0.58833%0.33SS*.G310 helixtrans-87.6-5.7179.6-58.1-42.3000111.9K570 T571K570-D573 PolarHBondContact O-N 2.71Å; T571-D573 VanDerWaalsContact C-N 3.27Å; T571-D573 PolarHBondContact O-N 2.8Å
574M84.9Confident84.7Confident11 Ų1164.4 Ų64.45%0.05436%0.358CS..  trans-97.5115-178.1-64.4176.369.100110.9L485 Y497 M510 P569 K570 T571 E572 L576 Y585L485-M574 HydrophobicContact CD1-CE 3.88Å; L485-M574 HydrophobicContact CD2-CE 4Å; L485-M574 HydrophobicContact CG-CE 4.38Å; Y497-M574 HydrophobicContact CD2-SD 4.27Å; M510-M574 HydrophobicContact CE-CE 4.47Å; M510-M574 HydrophobicContact SD-CE 4.37Å; P569-M574 HydrophobicContact CB-CG 4.31Å; P569-M574 HydrophobicContact CG-CG 3.9Å; P569-M574 HydrophobicContact CG-SD 4.02Å; K570-M574 WeakPolarHBondContact O-CG 3.39Å; K570-M574 PolarHBondContact O-N 2.96Å; T571-M574 PolarHBondContact O-N 3.13Å; E572-M574 VanDerWaalsContact C-N 3.32Å; M574-L576 HydrophobicContact CB-CD2 4.04Å; M574-L576 HydrophobicContact CE-CD2 4.09Å; M574-L576 PolarHBondContact O-N 2.81Å; M574-L576 VanDerWaalsContact O-N 3.09Å; M574-Y585 HydrophobicContact CB-CE2 4.24Å; M574-Y585 HydrophobicContact CE-CD2 3.72Å; M574-Y585 HydrophobicContact CE-CE2 4.39Å; M574-Y585 HydrophobicContact CE-CG 3.88Å; M574-Y585 HydrophobicContact CG-CD1 4.36Å; M574-Y585 HydrophobicContact CG-CE1 4.34Å; M574-Y585 HydrophobicContact CG-CE2 4.5Å; M574-Y585 HydrophobicContact CG-CG 4.46Å
575V84.7Confident84.5Confident60 Ų6065.4 Ų65.436%0.36436%0.362SS..  trans-79.990.9170.1-174.20000109S577 D578 K581 Y585V575-S577 VanDerWaalsContact C-N 3.25Å; V575-S577 WeakPolarHBondContact CG1-OG 3.38Å; V575-S577 PolarHBondContact O-N 3.39Å; V575-D578 HydrophobicContact CB-CB 4.5Å; V575-D578 HydrophobicContact CG1-CB 3.91Å; V575-D578 PolarHBondContact O-N 3.39Å; V575-K581 HydrophobicContact CB-CD 4.42Å; V575-Y585 PolarHBondContact N-OH 3.28Å
576L79Confident84.3Confident77 Ų7763.8 Ų63.840%0.40336%0.356SS..THydrogen-bonded Turntrans-71.2-16.8-176.5-60.2179.2000114C483 M574 D578 F582C483-L576 HydrophobicContact CB-CD1 4.08Å; M574-L576 HydrophobicContact CB-CD2 4.04Å; M574-L576 HydrophobicContact CE-CD2 4.09Å; M574-L576 PolarHBondContact O-N 2.81Å; M574-L576 VanDerWaalsContact O-N 3.09Å; L576-D578 VanDerWaalsContact C-N 3.33Å; L576-F582 WeakPolarHBondContact O-CZ 3.49Å
577S73.2Confident84.3Confident114 Ų11464.8 Ų64.880%0.79737%0.365SS*.THydrogen-bonded Turntrans-78.8-16.217652.90000113.7V575V575-S577 VanDerWaalsContact C-N 3.25Å; V575-S577 WeakPolarHBondContact CG1-OG 3.38Å; V575-S577 PolarHBondContact O-N 3.39Å
578D75.2Confident84.6Confident63 Ų6363.9 Ų63.934%0.33735%0.354SS..  trans-10899.9-178.1-175.82.1000110.3V575 L576 A580 K581 F582V575-D578 HydrophobicContact CB-CB 4.5Å; V575-D578 HydrophobicContact CG1-CB 3.91Å; V575-D578 PolarHBondContact O-N 3.39Å; L576-D578 VanDerWaalsContact C-N 3.33Å; D578-A580 VanDerWaalsContact C-N 3.27Å; D578-A580 PolarHBondContact O-N 3.41Å; D578-A580 PolarHBondContact OD1-N 3.34Å; D578-K581 HydrophobicContact CB-CD 4.44Å; D578-K581 PolarHBondContact O-N 3.23Å; D578-K581 VanDerWaalsContact OD2-CE 3.3Å; D578-K581 WeakPolarHBondContact OD2-CE 3.34Å; D578-F582 WeakPolarHBondContact O-CE1 3.48Å
579T71.9Confident84.8Confident45 Ų4563 Ų6328%0.27635%0.348SS..G310 helixtrans-71.5-22-17356.50000112.7T171 K581 F582T171-T579 HydrophobicContact CG2-CG2 3.4Å; T171-T579 VanDerWaalsContact CG2-CG2 3.4Å; T579-K581 PolarHBondContact O-N 3.21Å; T579-F582 HydrophobicContact CG2-CD2 4.41Å; T579-F582 HydrophobicContact CG2-CE2 3.76Å; T579-F582 HydrophobicContact CG2-CZ 3.91Å; T579-F582 VanDerWaalsContact O-CB 3.31Å; T579-F582 WeakPolarHBondContact O-CB 3.46Å; T579-F582 WeakPolarHBondContact O-CG 3.47Å; T579-F582 PolarHBondContact O-N 3.18Å; T579-F582 VanDerWaalsContact O-N 3.15Å
580A75.7Confident85.2Confident65 Ų6561.4 Ų61.454%0.53734%0.337SS..G310 helixtrans-64.9-29.4177.300000112D578 F582D578-A580 VanDerWaalsContact C-N 3.27Å; D578-A580 PolarHBondContact O-N 3.41Å; D578-A580 PolarHBondContact OD1-N 3.34Å; A580-F582 VanDerWaalsContact C-N 3.27Å; A580-F582 PolarHBondContact O-N 2.92Å
581K83.1Confident85.8Confident73 Ų7355 Ų5532%0.31731%0.309SS..G310 helixtrans-77-10.9177.9-64.9-174.5179.1-177.70113.7V575 D578 T579 S583 E584 Y585V575-K581 HydrophobicContact CB-CD 4.42Å; D578-K581 HydrophobicContact CB-CD 4.44Å; D578-K581 PolarHBondContact O-N 3.23Å; D578-K581 VanDerWaalsContact OD2-CE 3.3Å; D578-K581 WeakPolarHBondContact OD2-CE 3.34Å; T579-K581 PolarHBondContact O-N 3.21Å; K581-S583 PolarHBondContact O-N 2.95Å; K581-E584 WeakPolarHBondContact O-CB 3.31Å; K581-E584 PolarHBondContact O-N 2.92Å; K581-Y585 HydrophobicContact CB-CD2 4.47Å; K581-Y585 HydrophobicContact CB-CE1 4.35Å; K581-Y585 HydrophobicContact CB-CE2 3.71Å; K581-Y585 WeakPolarHBondContact CD-OH 3.37Å; K581-Y585 WeakPolarHBondContact O-CD2 3.33Å; K581-Y585 PolarHBondContact O-N 3.28Å; K581-Y585 VanDerWaalsContact O-N 3.13Å
582F86.3Confident86.6Confident6 Ų652.1 Ų52.13%0.02629%0.292CS..Hα-helixtrans-62.2-32.8-177.2-67.30.1000112L485 L576 D578 T579 A580 E584 Y585 E586L485-F582 HydrophobicContact CB-CB 4.49Å; L485-F582 HydrophobicContact CB-CD2 3.81Å; L485-F582 HydrophobicContact CB-CE2 4.11Å; L485-F582 HydrophobicContact CB-CG 4.05Å; L485-F582 HydrophobicContact CD2-CB 3.97Å; L485-F582 HydrophobicContact CD2-CD1 3.97Å; L485-F582 HydrophobicContact CD2-CG 3.9Å; L485-F582 HydrophobicContact CG-CD1 4.15Å; L485-F582 HydrophobicContact CG-CD2 4.28Å; L485-F582 HydrophobicContact CG-CE1 4.39Å; L485-F582 HydrophobicContact CG-CE2 4.5Å; L485-F582 HydrophobicContact CG-CG 4.11Å; L576-F582 WeakPolarHBondContact O-CZ 3.49Å; D578-F582 WeakPolarHBondContact O-CE1 3.48Å; T579-F582 HydrophobicContact CG2-CD2 4.41Å; T579-F582 HydrophobicContact CG2-CE2 3.76Å; T579-F582 HydrophobicContact CG2-CZ 3.91Å; T579-F582 VanDerWaalsContact O-CB 3.31Å; T579-F582 WeakPolarHBondContact O-CB 3.46Å; T579-F582 WeakPolarHBondContact O-CG 3.47Å; T579-F582 PolarHBondContact O-N 3.18Å; T579-F582 VanDerWaalsContact O-N 3.15Å; A580-F582 VanDerWaalsContact C-N 3.27Å; A580-F582 PolarHBondContact O-N 2.92Å; F582-E584 VanDerWaalsContact C-N 3.29Å; F582-E584 PolarHBondContact O-N 3.05Å; F582-Y585 AromaticContact CD1-CD2 3.99Å; F582-Y585 HydrophobicContact CD1-CD2 3.99Å; F582-Y585 HydrophobicContact CD1-CE2 4.12Å; F582-Y585 PolarHBondContact O-N 3.46Å; F582-E586 WeakPolarHBondContact O-CB 3.33Å; F582-E586 WeakPolarHBondContact O-CG 3.42Å; F582-E586 PolarHBondContact O-N 2.86Å
583S85.2Confident87.2Confident44 Ų4444.1 Ų44.131%0.30826%0.255SS..Hα-helixtrans-63.7-34.6174.7-170.80000112.6K581 E586K581-S583 PolarHBondContact O-N 2.95Å; S583-E586 CarbonylContact O-C 3.47Å; S583-E586 PolarHBondContact O-N 3.36Å
584E89.1Confident87.7Confident128 Ų12838.9 Ų38.960%0.59823%0.227SC*.Hα-helixtrans-71.5-38.9176.2-58.6179.317800111.1R565 K581 F582 E586 S587R565-E584 PolarHBondContact NH1-O 3.24Å; K581-E584 WeakPolarHBondContact O-CB 3.31Å; K581-E584 PolarHBondContact O-N 2.92Å; F582-E584 VanDerWaalsContact C-N 3.29Å; F582-E584 PolarHBondContact O-N 3.05Å; E584-E586 PolarHBondContact O-N 3.37Å; E584-S587 WeakPolarHBondContact O-CB 3.19Å; E584-S587 PolarHBondContact O-N 3.42Å; E584-S587 PolarHBondContact O-OG 3.02Å
585Y91.9Very high88.3Confident21 Ų2138.4 Ų38.48%0.08222%0.224CC..Hα-helixtrans-69.3-20.7173.9-51.6-34.1000112.7L485 M510 R565 P569 M574 V575 K581 F582L485-Y585 HydrophobicContact CD2-CD2 3.91Å; L485-Y585 HydrophobicContact CD2-CG 4.41Å; M510-Y585 WeakPolarHBondContact CE-O 3.44Å; R565-Y585 WeakPolarHBondContact CD-O 3.22Å; R565-Y585 PolarHBondContact NH1-O 2.99Å; P569-Y585 HydrophobicContact CG-CD1 4.2Å; M574-Y585 HydrophobicContact CB-CE2 4.24Å; M574-Y585 HydrophobicContact CE-CD2 3.72Å; M574-Y585 HydrophobicContact CE-CE2 4.39Å; M574-Y585 HydrophobicContact CE-CG 3.88Å; M574-Y585 HydrophobicContact CG-CD1 4.36Å; M574-Y585 HydrophobicContact CG-CE1 4.34Å; M574-Y585 HydrophobicContact CG-CE2 4.5Å; M574-Y585 HydrophobicContact CG-CG 4.46Å; V575-Y585 PolarHBondContact N-OH 3.28Å; K581-Y585 HydrophobicContact CB-CD2 4.47Å; K581-Y585 HydrophobicContact CB-CE1 4.35Å; K581-Y585 HydrophobicContact CB-CE2 3.71Å; K581-Y585 WeakPolarHBondContact CD-OH 3.37Å; K581-Y585 WeakPolarHBondContact O-CD2 3.33Å; K581-Y585 PolarHBondContact O-N 3.28Å; K581-Y585 VanDerWaalsContact O-N 3.13Å; F582-Y585 AromaticContact CD1-CD2 3.99Å; F582-Y585 HydrophobicContact CD1-CD2 3.99Å; F582-Y585 HydrophobicContact CD1-CE2 4.12Å; F582-Y585 PolarHBondContact O-N 3.46Å
586E92.7Very high88.8Confident0 Ų035.5 Ų35.50%021%0.207CC..THydrogen-bonded Turntrans-101.937.2175.2-67.3174.3-174.200112.3L485 R491 S493 S495 M510 R522 F582 S583 E584 L589L485-E586 HydrophobicContact CD2-CG 4.48Å; R491-E586 WeakPolarHBondContact CD-OE2 3.47Å; R491-E586 IonicContact CZ-OE1 3.68Å; R491-E586 IonicContact CZ-OE2 2.9Å; R491-E586 IonicContact NE-OE1 3.79Å; R491-E586 PolarHBondContact NE-OE1 2.8Å; R491-E586 IonicContact NE-OE2 2.78Å; R491-E586 PolarHBondContact NE-OE2 3.1Å; R491-E586 IonicContact NH2-OE1 2.96Å; R491-E586 PolarHBondContact NH2-OE1 3.44Å; S493-E586 PolarHBondContact OG-OE2 3.35Å; S495-E586 VanDerWaalsContact CB-OE1 3.26Å; S495-E586 WeakPolarHBondContact CB-OE1 3.49Å; S495-E586 PolarHBondContact N-OE1 3.11Å; S495-E586 VanDerWaalsContact OG-CG 3.29Å; S495-E586 WeakPolarHBondContact OG-CG 3.35Å; S495-E586 PolarHBondContact OG-OE1 2.94Å; M510-E586 HydrophobicContact CE-CG 4.15Å; R522-E586 WeakPolarHBondContact CD-O 3.23Å; R522-E586 IonicContact CZ-OE2 3.01Å; R522-E586 IonicContact NH1-OE2 3.95Å; R522-E586 PolarHBondContact NH1-OE2 2.76Å; F582-E586 WeakPolarHBondContact O-CB 3.33Å; F582-E586 WeakPolarHBondContact O-CG 3.42Å; F582-E586 PolarHBondContact O-N 2.86Å; S583-E586 CarbonylContact O-C 3.47Å; S583-E586 PolarHBondContact O-N 3.36Å; E584-E586 PolarHBondContact O-N 3.37Å; E586-L589 WeakPolarHBondContact O-CD1 3.3Å; E586-L589 WeakPolarHBondContact O-CG 3.5Å
587S92Very high89.4Confident45 Ų4531.9 Ų31.932%0.31519%0.188SC..  trans-109.8166173.464.70000111.8R565 E584R565-S587 WeakPolarHBondContact CD-O 3.35Å; R565-S587 VanDerWaalsContact CZ-O 3.25Å; R565-S587 PolarHBondContact NE-O 3.5Å; R565-S587 PolarHBondContact NH1-O 3.47Å; E584-S587 WeakPolarHBondContact O-CB 3.19Å; E584-S587 PolarHBondContact O-N 3.42Å; E584-S587 PolarHBondContact O-OG 3.02Å
588D95.3Very high90.1Very high64 Ų6427.1 Ų27.134%0.34215%0.153SC..SBendtrans59.446.4-175.4-169.841.9000112.7R522 T524R522-D588 PolarHBondContact O-N 2.99Å; T524-D588 WeakPolarHBondContact CB-OD1 3.48Å; T524-D588 WeakPolarHBondContact CG2-OD1 3.48Å; T524-D588 PolarHBondContact OG1-OD1 3.4Å
589L97Very high90.5Very high0 Ų024.9 Ų24.90%014%0.141CC..EExtended strand (participates in β ladder)trans-83.5153.3-176-54.8-178.8000112V512 V519 R522 C523 T524 H525 A563 R565 E586V512-L589 HydrophobicContact CB-CD1 4.39Å; V512-L589 HydrophobicContact CG1-CD1 4.21Å; V512-L589 HydrophobicContact CG2-CD1 4.19Å; V512-L589 HydrophobicContact CG2-CD2 3.83Å; V519-L589 HydrophobicContact CG1-CD1 4.31Å; R522-L589 HydrophobicContact CB-CD1 4.07Å; R522-L589 HydrophobicContact CB-CG 4.43Å; R522-L589 PolarHBondContact O-N 2.78Å; C523-L589 CarbonylContact C-O 3.56Å; C523-L589 WeakPolarHBondContact CA-O 3.2Å; C523-L589 HydrophobicContact CB-CB 4.42Å; T524-L589 PolarHBondContact N-O 3.09Å; T524-L589 PolarHBondContact OG1-O 2.94Å; H525-L589 PolarHBondContact N-O 2.83Å; A563-L589 HydrophobicContact CB-CB 4.15Å; A563-L589 HydrophobicContact CB-CD1 4.27Å; R565-L589 HydrophobicContact CB-CD2 3.81Å; R565-L589 HydrophobicContact CG-CD2 4.29Å; E586-L589 WeakPolarHBondContact O-CD1 3.3Å; E586-L589 WeakPolarHBondContact O-CG 3.5Å
590T97.4Very high91Very high0 Ų023.2 Ų23.20%013%0.131CC..EExtended strand (participates in β ladder)trans-105.5113.6168.3-570000108.3H525 R527 K532 A563 T564 D566 V592H525-T590 HydrophobicContact CB-CG2 4.2Å; H525-T590 CarbonylContact O-C 3.57Å; H525-T590 WeakPolarHBondContact O-CA 3.32Å; R527-T590 HydrophobicContact CB-CG2 4.08Å; K532-T590 WeakPolarHBondContact CE-OG1 3.07Å; K532-T590 HydrophobicContact CG-CG2 4.3Å; K532-T590 PolarHBondContact NZ-OG1 3.21Å; A563-T590 CarbonylContact C-O 3.54Å; A563-T590 VanDerWaalsContact CA-O 3.25Å; A563-T590 WeakPolarHBondContact CA-O 3.38Å; A563-T590 WeakPolarHBondContact CB-O 3.12Å; T564-T590 PolarHBondContact N-O 2.83Å; T564-T590 PolarHBondContact O-N 3.05Å; D566-T590 PolarHBondContact OD2-OG1 2.83Å; T590-V592 PolarHBondContact O-N 3.44Å
591F97.6Very high91.5Very high1 Ų121 Ų210%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-67.7130.5176.7178.8-95.6000110.5F367 L369 I520 C523 H525 V526 R527 I543 A561 G593 C594F367-F591 HydrophobicContact CE2-CE1 4.2Å; F367-F591 HydrophobicContact CE2-CZ 4.07Å; F367-F591 HydrophobicContact CZ-CZ 4.39Å; L369-F591 HydrophobicContact CD1-CD1 3.57Å; L369-F591 HydrophobicContact CD1-CE1 3.63Å; I520-F591 HydrophobicContact CD1-CD2 4.49Å; I520-F591 HydrophobicContact CD1-CE2 4.08Å; I520-F591 HydrophobicContact CG1-CD2 3.86Å; I520-F591 HydrophobicContact CG1-CE2 3.91Å; C523-F591 HydrophobicContact CB-CB 4.26Å; H525-F591 PolarHBondContact O-N 3.1Å; V526-F591 CarbonylContact C-O 3.55Å; V526-F591 HydrophobicContact CG1-CB 4.26Å; R527-F591 WeakPolarHBondContact CB-O 3.46Å; R527-F591 PolarHBondContact N-O 2.98Å; I543-F591 HydrophobicContact CD1-CD1 3.92Å; I543-F591 HydrophobicContact CD1-CE1 3.92Å; I543-F591 HydrophobicContact CG1-CE1 4.39Å; I543-F591 HydrophobicContact CG2-CE1 4.06Å; I543-F591 HydrophobicContact CG2-CE2 4.29Å; I543-F591 HydrophobicContact CG2-CZ 3.76Å; A561-F591 HydrophobicContact CB-CE2 3.94Å; F591-G593 WeakPolarHBondContact CE2-O 3.26Å; F591-G593 VanDerWaalsContact CZ-C 3.44Å; F591-G593 WeakPolarHBondContact CZ-O 3.46Å; F591-C594 HydrophobicContact CZ-CB 4.37Å
592V97.1Very high91.5Very high0 Ų019.6 Ų19.60%010%0.104CC..EExtended strand (participates in β ladder)trans-105.8-45.8-178.3177.90000111.5E412 L413 I416 R527 L562 T564 T590E412-V592 HydrophobicContact CB-CG1 4.14Å; E412-V592 HydrophobicContact CG-CG1 4.25Å; E412-V592 HydrophobicContact CG-CG2 4.2Å; L413-V592 HydrophobicContact CB-CG1 4.31Å; I416-V592 HydrophobicContact CD1-CB 3.9Å; I416-V592 HydrophobicContact CD1-CG1 4.16Å; I416-V592 HydrophobicContact CD1-CG2 3.89Å; R527-V592 HydrophobicContact CB-CG2 4.25Å; L562-V592 PolarHBondContact O-N 3.23Å; T564-V592 HydrophobicContact CG2-CG2 3.93Å; T590-V592 PolarHBondContact O-N 3.44Å
593G96.5Very high91.4Very high0 Ų027.3 Ų27.30%014%0.14CC..EExtended strand (participates in β ladder)trans178.3-175.3-17900000112.9F367 L562 F591F367-G593 WeakPolarHBondContact O-CA 3.35Å; L562-G593 PolarHBondContact N-O 2.94Å; L562-G593 PolarHBondContact O-N 3.35Å; F591-G593 WeakPolarHBondContact CE2-O 3.26Å; F591-G593 VanDerWaalsContact CZ-C 3.44Å; F591-G593 WeakPolarHBondContact CZ-O 3.46Å
594C96.7Very high91.5Very high0 Ų028.2 Ų28.20%014%0.14CC..EExtended strand (participates in β ladder)trans-133.5143.3177.4-176.40000110M366 F367 L560 F591M366-C594 CarbonylContact C-O 3.56Å; M366-C594 WeakPolarHBondContact CA-O 3.21Å; M366-C594 WeakPolarHBondContact CB-O 3.49Å; F367-C594 HydrophobicContact CD1-CB 3.92Å; F367-C594 HydrophobicContact CE1-CB 3.35Å; F367-C594 HydrophobicContact CE2-CB 4.07Å; F367-C594 HydrophobicContact CZ-CB 3.42Å; F367-C594 VanDerWaalsContact CZ-CB 3.42Å; F367-C594 PolarHBondContact N-O 3.33Å; F367-C594 PolarHBondContact O-N 3.23Å; L560-C594 WeakPolarHBondContact O-CA 3.22Å; L560-C594 PolarHBondContact O-SG 2.96Å; L560-C594 VanDerWaalsContact O-SG 3.33Å; F591-C594 HydrophobicContact CZ-CB 4.37Å
595V96.9Very high91.6Very high0 Ų022.1 Ų22.10%011%0.111CC..EExtended strand (participates in β ladder)trans-114.6139.9171.4-64.30000109.2V363 M366 L413 L445 L448 C559 L560 L562 M597V363-V595 HydrophobicContact CG1-CB 4.04Å; V363-V595 HydrophobicContact CG1-CG1 4.44Å; M366-V595 HydrophobicContact CB-CB 4.49Å; M366-V595 HydrophobicContact CB-CG1 3.92Å; L413-V595 HydrophobicContact CD1-CG1 4.5Å; L413-V595 HydrophobicContact CD2-CG1 3.97Å; L445-V595 HydrophobicContact CD2-CG2 3.76Å; L448-V595 HydrophobicContact CD2-CG1 3.83Å; C559-V595 CarbonylContact C-O 3.54Å; C559-V595 VanDerWaalsContact CA-O 3.31Å; C559-V595 WeakPolarHBondContact CA-O 3.49Å; L560-V595 HydrophobicContact CB-CG2 3.9Å; L560-V595 PolarHBondContact N-O 2.97Å; L560-V595 PolarHBondContact O-N 3.22Å; L562-V595 HydrophobicContact CD1-CG1 3.84Å; L562-V595 HydrophobicContact CD1-CG2 4.26Å; V595-M597 HydrophobicContact CG2-CE 4.31Å
596G94.5Very high91.5Very high0 Ų023.4 Ų23.40%013%0.126CC..EExtended strand (participates in β ladder)trans-117.5119.6175.700000109.6C364 R365C364-G596 PolarHBondContact N-O 2.75Å; R365-G596 PolarHBondContact N-O 3.37Å; R365-G596 VanDerWaalsContact N-O 3.14Å; R365-G596 PolarHBondContact O-N 3.01Å
597M91.6Very high91.5Very high0 Ų026.3 Ų26.30%015%0.15CC..EExtended strand (participates in β ladder)trans-117.6148.7179.561.5-17274.800111.3M361 S362 V363 T441 A444 L445 L557 R558 L560 V595M361-M597 HydrophobicContact CG-CB 4.18Å; M361-M597 HydrophobicContact CG-CG 3.94Å; M361-M597 HydrophobicContact CG-SD 3.55Å; M361-M597 VanDerWaalsContact CG-SD 3.55Å; M361-M597 HydrophobicContact SD-CB 3.99Å; M361-M597 HydrophobicContact SD-CG 3.63Å; M361-M597 HydrophobicContact SD-SD 3.97Å; S362-M597 VanDerWaalsContact O-CA 3.22Å; S362-M597 WeakPolarHBondContact O-CA 3.25Å; S362-M597 WeakPolarHBondContact O-CB 3.46Å; V363-M597 HydrophobicContact CG2-CB 4.14Å; V363-M597 HydrophobicContact CG2-CE 4.22Å; T441-M597 HydrophobicContact CG2-CE 4.08Å; T441-M597 HydrophobicContact CG2-SD 3.71Å; A444-M597 HydrophobicContact CB-SD 4.18Å; L445-M597 HydrophobicContact CD2-CE 3.76Å; L445-M597 HydrophobicContact CG-CE 4.35Å; L557-M597 WeakPolarHBondContact CA-O 3.32Å; R558-M597 HydrophobicContact CB-CG 3.93Å; R558-M597 HydrophobicContact CG-CG 4.37Å; R558-M597 PolarHBondContact N-O 2.88Å; R558-M597 WeakPolarHBondContact O-CG 3.33Å; R558-M597 PolarHBondContact O-N 3.29Å; L560-M597 HydrophobicContact CD1-CE 3.74Å; L560-M597 HydrophobicContact CG-CE 4.39Å; V595-M597 HydrophobicContact CG2-CE 4.31Å
598L87.5Confident91.6Very high15 Ų1524.5 Ų24.58%0.07914%0.137CC..EExtended strand (participates in β ladder)trans-134.1167.6167.374.5143.7000110.5M361 S362 C364 L557 P600M361-L598 VanDerWaalsContact SD-C 3.58Å; S362-L598 PolarHBondContact N-O 3.3Å; S362-L598 PolarHBondContact O-N 2.84Å; C364-L598 HydrophobicContact CB-CD2 3.65Å; C364-L598 WeakPolarHBondContact SG-CD2 3.32Å; L557-L598 HydrophobicContact CD2-CB 3.89Å; L557-L598 HydrophobicContact CD2-CD2 3.33Å; L557-L598 HydrophobicContact CD2-CG 4.21Å; L598-P600 HydrophobicContact CD1-CB 4.34Å; L598-P600 HydrophobicContact CG-CB 4.42Å; L598-P600 VanDerWaalsContact O-CD 3.28Å; L598-P600 WeakPolarHBondContact O-CD 3.34Å
599D84.1Confident91.6Very high16 Ų1621.7 Ų21.79%0.08612%0.122CC..  trans-86.7100.8160.5176.226.8000108K352 T357 N359 Q360 M361K352-D599 IonicContact NZ-OD2 2.86Å; K352-D599 PolarHBondContact NZ-OD2 2.9Å; T357-D599 VanDerWaalsContact CB-CG 3.44Å; T357-D599 WeakPolarHBondContact CB-OD1 3.46Å; T357-D599 WeakPolarHBondContact CB-OD2 3.42Å; T357-D599 VanDerWaalsContact OG1-CG 3.23Å; T357-D599 PolarHBondContact OG1-OD1 3.45Å; T357-D599 PolarHBondContact OG1-OD2 3.47Å; N359-D599 WeakPolarHBondContact CA-OD1 3.4Å; N359-D599 PolarHBondContact N-OD1 3.01Å; Q360-D599 PolarHBondContact N-OD1 3.19Å; M361-D599 HydrophobicContact CE-CB 4.48Å
600P83.4Confident91.4Very high9 Ų928.2 Ų28.26%0.05815%0.151CC..PPolyproline II helixtrans-75.1145.5-167.630.8-34.1000112.3T357 T358 Q360 S387 L598T357-P600 VanDerWaalsContact CA-O 3.26Å; T357-P600 WeakPolarHBondContact CA-O 3.05Å; T357-P600 VanDerWaalsContact CB-O 3.29Å; T357-P600 WeakPolarHBondContact CB-O 3.42Å; T358-P600 PolarHBondContact N-O 3.49Å; T358-P600 VanDerWaalsContact N-O 3.07Å; Q360-P600 VanDerWaalsContact O-CD 3.24Å; Q360-P600 WeakPolarHBondContact O-CD 3.26Å; S387-P600 VanDerWaalsContact CB-CG 3.46Å; S387-P600 WeakPolarHBondContact O-CG 3.38Å; L598-P600 HydrophobicContact CD1-CB 4.34Å; L598-P600 HydrophobicContact CG-CB 4.42Å; L598-P600 VanDerWaalsContact O-CD 3.28Å; L598-P600 WeakPolarHBondContact O-CD 3.34Å
601P85.3Confident91.3Very high20 Ų2031.7 Ų31.713%0.1317%0.169CC..BIsolated β-bridgetrans-65.3150.2171.128.9-33.7000110.7L356 R636 I637L356-P601 WeakPolarHBondContact O-CA 3.44Å; P601-R636 HydrophobicContact CG-CG 4.45Å; P601-I637 HydrophobicContact CB-CG2 3.43Å; P601-I637 VanDerWaalsContact CB-CG2 3.43Å; P601-I637 HydrophobicContact CG-CG2 3.98Å
602R84.3Confident91.2Very high42 Ų4231.7 Ų31.716%0.15817%0.169CC..PPolyproline II helixtrans-67.4149.1171.7-57.1175.6-179.7-94.32.4110.1G354 T355 L356 T357 T358 E604 V605 D736G354-R602 PolarHBondContact O-NH2 3.3Å; T355-R602 WeakPolarHBondContact O-CD 3.36Å; T355-R602 PolarHBondContact O-NE 2.89Å; L356-R602 PolarHBondContact O-N 3.08Å; T357-R602 PolarHBondContact O-NE 3.36Å; T358-R602 HydrophobicContact CG2-CG 3.98Å; R602-E604 VanDerWaalsContact C-N 3.33Å; R602-E604 HydrophobicContact CB-CG 4.47Å; R602-E604 PolarHBondContact O-N 3.49Å; R602-V605 HydrophobicContact CB-CG2 3.75Å; R602-V605 HydrophobicContact CG-CG2 4.48Å; R602-V605 PolarHBondContact O-N 3.41Å; R602-D736 PolarHBondContact NE-O 3.1Å; R602-D736 VanDerWaalsContact NE-O 3.17Å; R602-D736 PolarHBondContact NH2-O 3.09Å; R602-D736 VanDerWaalsContact NH2-O 3.13Å
603Q84.1Confident91Very high168 Ų16837.5 Ų37.579%0.78519%0.191SC*.Hα-helixtrans-67.6-37.6-171.1-64.1-175.22.200112V605Q603-V605 VanDerWaalsContact C-N 3.34Å; Q603-V605 PolarHBondContact O-N 3.09Å
604E87.1Confident90.8Very high64 Ų6442.7 Ų42.730%0.29922%0.215SC..Hα-helixtrans-75.4-17.7-177.857.5-84.2-168.300114.1R602 A606 A607 S608 N737R602-E604 VanDerWaalsContact C-N 3.33Å; R602-E604 HydrophobicContact CB-CG 4.47Å; R602-E604 PolarHBondContact O-N 3.49Å; E604-A606 PolarHBondContact O-N 3.46Å; E604-A607 PolarHBondContact O-N 3.24Å; E604-S608 WeakPolarHBondContact O-CB 3.27Å; E604-S608 PolarHBondContact O-N 3.43Å; E604-S608 PolarHBondContact O-OG 3.15Å; E604-N737 WeakPolarHBondContact CG-ND2 3.19Å; E604-N737 WeakPolarHBondContact CG-OD1 3.37Å; E604-N737 PolarHBondContact OE1-ND2 2.9Å; E604-N737 PolarHBondContact OE1-OD1 3.41Å
605V90.4Very high90.7Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-62.7-46-177.4168.20000110.7L356 R602 Q603 A607 S608 I609 I637 F738L356-V605 HydrophobicContact CD2-CG1 3.75Å; L356-V605 HydrophobicContact CD2-CG2 4.49Å; R602-V605 HydrophobicContact CB-CG2 3.75Å; R602-V605 HydrophobicContact CG-CG2 4.48Å; R602-V605 PolarHBondContact O-N 3.41Å; Q603-V605 VanDerWaalsContact C-N 3.34Å; Q603-V605 PolarHBondContact O-N 3.09Å; V605-A607 VanDerWaalsContact C-N 3.31Å; V605-A607 PolarHBondContact O-N 3.48Å; V605-S608 CarbonylContact O-C 3.48Å; V605-S608 WeakPolarHBondContact O-CA 3.49Å; V605-S608 WeakPolarHBondContact O-CB 3.43Å; V605-S608 PolarHBondContact O-N 3.03Å; V605-I609 HydrophobicContact CG1-CG1 4.05Å; V605-I609 WeakPolarHBondContact O-CG1 3.26Å; V605-I609 PolarHBondContact O-N 3.32Å; V605-I637 HydrophobicContact CG1-CB 4.1Å; V605-I637 HydrophobicContact CG1-CD1 4.16Å; V605-I637 HydrophobicContact CG1-CG2 4.2Å; V605-F738 HydrophobicContact CG2-CB 3.94Å
606A90.1Very high90.6Very high47 Ų4744.8 Ų44.839%0.38824%0.237SC..Hα-helixtrans-60.8-39.6-177.700000112.7E604 K610E604-A606 PolarHBondContact O-N 3.46Å; A606-K610 PolarHBondContact O-N 3.09Å
607A93.3Very high90.7Very high61 Ų6145.1 Ų45.150%0.50424%0.239SC..Hα-helixtrans-66.9-39.8174.400000111.7E604 V605 K610 L611E604-A607 PolarHBondContact O-N 3.24Å; V605-A607 VanDerWaalsContact C-N 3.31Å; V605-A607 PolarHBondContact O-N 3.48Å; A607-K610 WeakPolarHBondContact O-CB 3.39Å; A607-K610 PolarHBondContact O-N 3.26Å; A607-L611 PolarHBondContact O-N 3Å
608S94.3Very high90.9Very high7 Ų746.2 Ų46.25%0.04924%0.243CC..Hα-helixtrans-66.2-40.1178.4-56.80000112.6E604 V605 K610 L611 C612 S739E604-S608 WeakPolarHBondContact O-CB 3.27Å; E604-S608 PolarHBondContact O-N 3.43Å; E604-S608 PolarHBondContact O-OG 3.15Å; V605-S608 CarbonylContact O-C 3.48Å; V605-S608 WeakPolarHBondContact O-CA 3.49Å; V605-S608 WeakPolarHBondContact O-CB 3.43Å; V605-S608 PolarHBondContact O-N 3.03Å; S608-K610 VanDerWaalsContact C-N 3.29Å; S608-K610 PolarHBondContact O-N 2.7Å; S608-L611 PolarHBondContact O-N 2.73Å; S608-C612 PolarHBondContact O-N 3.19Å; S608-C612 PolarHBondContact O-SG 2.94Å; S608-S739 WeakPolarHBondContact OG-CA 3.33Å; S608-S739 VanDerWaalsContact OG-CB 3.26Å; S608-S739 WeakPolarHBondContact OG-CB 3.22Å
609I94.4Very high91.3Very high6 Ų645.8 Ų45.83%0.03124%0.241CC..Hα-helixtrans-61.9-39.1173.4-64.2-60.5000110.8V605 C612 R613 V619 I639 F738V605-I609 HydrophobicContact CG1-CG1 4.05Å; V605-I609 WeakPolarHBondContact O-CG1 3.26Å; V605-I609 PolarHBondContact O-N 3.32Å; I609-C612 WeakPolarHBondContact O-CB 3.36Å; I609-C612 PolarHBondContact O-N 3.41Å; I609-R613 PolarHBondContact O-N 3.15Å; I609-V619 HydrophobicContact CD1-CB 3.9Å; I609-V619 HydrophobicContact CD1-CG1 3.65Å; I609-V619 HydrophobicContact CD1-CG2 3.74Å; I609-I639 HydrophobicContact CD1-CD1 4.27Å; I609-I639 HydrophobicContact CD1-CG1 3.93Å; I609-I639 HydrophobicContact CG1-CG1 4.27Å; I609-I639 HydrophobicContact CG2-CG1 4.15Å; I609-F738 HydrophobicContact CD1-CE1 3.79Å; I609-F738 HydrophobicContact CD1-CZ 3.91Å
610K93.9Very high91.9Very high136 Ų13645 Ų4559%0.59124%0.237SC*.Hα-helixtrans-63.6-43.5175.3-173.8-177.2176.7-175.50111.8A606 A607 S608 R613 Q614A606-K610 PolarHBondContact O-N 3.09Å; A607-K610 WeakPolarHBondContact O-CB 3.39Å; A607-K610 PolarHBondContact O-N 3.26Å; S608-K610 VanDerWaalsContact C-N 3.29Å; S608-K610 PolarHBondContact O-N 2.7Å; K610-R613 PolarHBondContact O-N 2.83Å; K610-Q614 WeakPolarHBondContact O-CG 3.5Å; K610-Q614 PolarHBondContact O-N 3.05Å
611L93.8Very high92.4Very high74 Ų7444.6 Ų44.639%0.38723%0.234SC..Hα-helixtrans-62.3-43.8174.9-72.8171.4000111.7A607 S608 R613 Q614 A615 V742A607-L611 PolarHBondContact O-N 3Å; S608-L611 PolarHBondContact O-N 2.73Å; L611-R613 VanDerWaalsContact C-N 3.29Å; L611-R613 PolarHBondContact O-N 3.32Å; L611-Q614 PolarHBondContact O-N 3.42Å; L611-Q614 VanDerWaalsContact O-N 3.15Å; L611-A615 WeakPolarHBondContact O-CB 3.22Å; L611-A615 PolarHBondContact O-N 2.94Å; L611-V742 HydrophobicContact CB-CG1 4.11Å; L611-V742 HydrophobicContact CD1-CG1 4.3Å
612C95.4Very high92.7Very high1 Ų143.7 Ų43.71%0.00723%0.228CC..Hα-helixtrans-55.7-46174.4-67.70000111.1S608 I609 Q614 A615 G616 I617 V619 V742S608-C612 PolarHBondContact O-N 3.19Å; S608-C612 PolarHBondContact O-SG 2.94Å; I609-C612 WeakPolarHBondContact O-CB 3.36Å; I609-C612 PolarHBondContact O-N 3.41Å; C612-Q614 PolarHBondContact O-N 2.88Å; C612-A615 CarbonylContact O-C 3.56Å; C612-A615 PolarHBondContact O-N 3.35Å; C612-G616 PolarHBondContact O-N 3Å; C612-I617 CarbonylContact C-O 3.59Å; C612-I617 HydrophobicContact CB-CB 4.09Å; C612-I617 WeakPolarHBondContact O-CA 3.06Å; C612-I617 PolarHBondContact O-N 3.45Å; C612-V619 HydrophobicContact CB-CG2 3.85Å; C612-V742 VanDerWaalsContact SG-CG2 3.59Å
613R93.4Very high92.7Very high121 Ų12141.7 Ų41.746%0.45722%0.221SC..Hα-helixtrans-62.6-40178.1-173.4179.4-69.5166.7-1.3112.5I609 K610 L611 G616 G638 M641I609-R613 PolarHBondContact O-N 3.15Å; K610-R613 PolarHBondContact O-N 2.83Å; L611-R613 VanDerWaalsContact C-N 3.29Å; L611-R613 PolarHBondContact O-N 3.32Å; R613-G616 PolarHBondContact O-N 3.17Å; R613-G638 PolarHBondContact NH2-O 3.07Å; R613-M641 PolarHBondContact NH1-SD 3.05Å
614Q93.4Very high92.3Very high109 Ų10934.3 Ų34.351%0.50919%0.189SC..Hα-helixtrans-65.1-40175.4-72.6175.6-34.600111.7K610 L611 C612 G616 M815K610-Q614 WeakPolarHBondContact O-CG 3.5Å; K610-Q614 PolarHBondContact O-N 3.05Å; L611-Q614 PolarHBondContact O-N 3.42Å; L611-Q614 VanDerWaalsContact O-N 3.15Å; C612-Q614 PolarHBondContact O-N 2.88Å; Q614-G616 PolarHBondContact O-N 3.45Å; Q614-M815 CarbonylContact C-O 3.57Å
615A93.3Very high91.7Very high0 Ų032.9 Ų32.90%018%0.184CC..THydrogen-bonded Turntrans-77.75.4178.400000114.3L611 C612 I617 R749 M815 K817 P819L611-A615 WeakPolarHBondContact O-CB 3.22Å; L611-A615 PolarHBondContact O-N 2.94Å; C612-A615 CarbonylContact O-C 3.56Å; C612-A615 PolarHBondContact O-N 3.35Å; A615-I617 VanDerWaalsContact C-N 3.29Å; A615-I617 HydrophobicContact CB-CD1 4.1Å; A615-I617 HydrophobicContact CB-CG1 4.15Å; A615-I617 PolarHBondContact O-N 3.49Å; A615-R749 PolarHBondContact O-NH2 3.25Å; A615-M815 WeakPolarHBondContact CA-O 3.37Å; A615-M815 HydrophobicContact CB-CE 3.83Å; A615-M815 VanDerWaalsContact CB-O 3.32Å; A615-M815 WeakPolarHBondContact CB-O 3.41Å; A615-M815 HydrophobicContact CB-SD 4.4Å; A615-M815 PolarHBondContact N-O 2.89Å; A615-K817 CarbonylContact C-O 3.49Å; A615-K817 VanDerWaalsContact O-O 3.08Å; A615-P819 WeakPolarHBondContact O-CD 3.46Å
616G94.9Very high91Very high45 Ų4536.5 Ų36.546%0.46420%0.203SC..THydrogen-bonded Turntrans71.416.3-178.100000115C612 R613 Q614C612-G616 PolarHBondContact O-N 3Å; R613-G616 PolarHBondContact O-N 3.17Å; Q614-G616 PolarHBondContact O-N 3.45Å
617I96.6Very high90.6Very high7 Ų736.6 Ų36.64%0.03620%0.195CC..PPolyproline II helixtrans-92.4128.5-179.1-53.5173.4000109.8S346 I348 C612 A615 V745 P819S346-I617 WeakPolarHBondContact O-CA 3.04Å; I348-I617 HydrophobicContact CD1-CG2 3.82Å; I348-I617 HydrophobicContact CG1-CG2 3.81Å; C612-I617 CarbonylContact C-O 3.59Å; C612-I617 HydrophobicContact CB-CB 4.09Å; C612-I617 WeakPolarHBondContact O-CA 3.06Å; C612-I617 PolarHBondContact O-N 3.45Å; A615-I617 VanDerWaalsContact C-N 3.29Å; A615-I617 HydrophobicContact CB-CD1 4.1Å; A615-I617 HydrophobicContact CB-CG1 4.15Å; A615-I617 PolarHBondContact O-N 3.49Å; I617-V745 HydrophobicContact CD1-CG1 3.71Å; I617-P819 HydrophobicContact CG1-CG 4.07Å
618R95.8Very high90.1Very high23 Ų2335.9 Ų35.99%0.08719%0.193CC..EExtended strand (participates in β ladder)trans-89.3127.5177.6163.5155.180.5115.23.8110.9S346 V347 I348 I620 V668 T669 A671 R672S346-R618 PolarHBondContact O-N 2.75Å; V347-R618 CarbonylContact C-O 3.53Å; V347-R618 VanDerWaalsContact CA-O 3.25Å; V347-R618 WeakPolarHBondContact CA-O 3.25Å; V347-R618 HydrophobicContact CG1-CG 4.37Å; V347-R618 HydrophobicContact CG2-CB 4.27Å; V347-R618 HydrophobicContact CG2-CG 4.48Å; I348-R618 PolarHBondContact N-O 3.49Å; R618-I620 HydrophobicContact CG-CG1 4.11Å; R618-V668 PolarHBondContact NH1-O 2.82Å; R618-V668 PolarHBondContact NH2-O 2.98Å; R618-T669 VanDerWaalsContact NH1-C 3.34Å; R618-T669 PolarHBondContact NH1-O 3.04Å; R618-A671 PolarHBondContact NH1-O 3.44Å; R618-R672 VanDerWaalsContact CG-CZ 3.47Å
619V96.4Very high89.3Confident5 Ų536.8 Ų36.83%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-102.3132.1173-171.20000110.3I348 I609 C612 I639 R672 F738I348-V619 CarbonylContact O-C 3.34Å; I348-V619 WeakPolarHBondContact O-CA 3.24Å; I609-V619 HydrophobicContact CD1-CB 3.9Å; I609-V619 HydrophobicContact CD1-CG1 3.65Å; I609-V619 HydrophobicContact CD1-CG2 3.74Å; C612-V619 HydrophobicContact CB-CG2 3.85Å; V619-I639 HydrophobicContact CB-CD1 4.49Å; V619-I639 HydrophobicContact CB-CG1 4.44Å; V619-I639 HydrophobicContact CG1-CD1 3.89Å; V619-I639 HydrophobicContact CG1-CG1 4.32Å; V619-R672 WeakPolarHBondContact O-CD 3.37Å; V619-F738 HydrophobicContact CG1-CE2 4.41Å; V619-F738 HydrophobicContact CG1-CZ 4.15Å; V619-F738 HydrophobicContact CG2-CZ 4.15Å
620I96.5Very high88.8Confident0 Ų036.5 Ų36.50%020%0.197CC..EExtended strand (participates in β ladder)trans-120.5122.3175.8-54.9-179.5000107.7V347 I348 C349 S350 R618 I622 R672 F674 L689V347-I620 HydrophobicContact CG1-CD1 3.68Å; V347-I620 HydrophobicContact CG1-CG1 4.01Å; I348-I620 PolarHBondContact O-N 3.17Å; C349-I620 CarbonylContact C-O 3.55Å; C349-I620 WeakPolarHBondContact CA-O 3.3Å; S350-I620 PolarHBondContact N-O 2.69Å; R618-I620 HydrophobicContact CG-CG1 4.11Å; I620-I622 HydrophobicContact CG2-CG1 4.41Å; I620-R672 CarbonylContact C-O 3.41Å; I620-R672 WeakPolarHBondContact CA-O 3.46Å; I620-F674 HydrophobicContact CG2-CD2 3.72Å; I620-F674 HydrophobicContact CG2-CE2 3.9Å; I620-L689 HydrophobicContact CD1-CD1 4.37Å
621M94.4Very high88.5Confident0 Ų030.5 Ų30.50%017%0.172CC..EExtended strand (participates in β ladder)trans-84.4132.1172.5-178.1-174.2-7100109.8S350 K352 L356 I633 C634 I637 I639 R672 C673 F674S350-M621 WeakPolarHBondContact O-CA 3.33Å; K352-M621 HydrophobicContact CB-CG 4.11Å; K352-M621 HydrophobicContact CB-SD 4.08Å; K352-M621 HydrophobicContact CG-CE 4.27Å; K352-M621 HydrophobicContact CG-SD 3.99Å; L356-M621 HydrophobicContact CD1-CB 4.38Å; L356-M621 HydrophobicContact CD1-CE 3.55Å; L356-M621 HydrophobicContact CD1-CG 4.02Å; M621-I633 HydrophobicContact CE-CB 4.21Å; M621-I633 HydrophobicContact CE-CG2 3.61Å; M621-C634 PolarHBondContact SD-SG 3.39Å; M621-I637 HydrophobicContact CE-CD1 3.52Å; M621-I639 HydrophobicContact CB-CD1 4.04Å; M621-I639 HydrophobicContact CE-CD1 4.25Å; M621-R672 PolarHBondContact N-O 3.45Å; M621-C673 CarbonylContact O-C 3.59Å; M621-C673 WeakPolarHBondContact O-CA 3.47Å; M621-F674 PolarHBondContact O-N 2.9Å
622I91.6Very high88Confident1 Ų127.5 Ų27.51%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-119.3132.6171.3-54.3-179.5000108.1C349 S350 D351 K352 I620 F674 V677 K682 I685 M698C349-I622 HydrophobicContact CB-CD1 3.9Å; S350-I622 PolarHBondContact O-N 3.32Å; D351-I622 WeakPolarHBondContact CA-O 3.32Å; K352-I622 PolarHBondContact N-O 3.37Å; K352-I622 VanDerWaalsContact N-O 3.14Å; I620-I622 HydrophobicContact CG2-CG1 4.41Å; I622-F674 CarbonylContact C-O 3.55Å; I622-F674 WeakPolarHBondContact CA-O 3.21Å; I622-F674 HydrophobicContact CG2-CB 4.5Å; I622-V677 HydrophobicContact CG2-CB 3.88Å; I622-V677 HydrophobicContact CG2-CG1 3.79Å; I622-V677 HydrophobicContact CG2-CG2 3.85Å; I622-K682 HydrophobicContact CG2-CD 4.39Å; I622-K682 HydrophobicContact CG2-CG 3.98Å; I622-I685 HydrophobicContact CD1-CD1 4.14Å; I622-M698 HydrophobicContact CD1-CE 4.15Å; I622-M698 HydrophobicContact CD1-SD 4.12Å
623T84.6Confident87.6Confident1 Ų127.8 Ų27.81%0.00616%0.159CC..  trans-152.1152.3-176-175.30000113.6D625 A630 F674 A675 R676 V677T623-D625 VanDerWaalsContact C-N 3.3Å; T623-D625 HydrophobicContact CG2-CB 4.02Å; T623-D625 WeakPolarHBondContact OG1-CB 3.43Å; T623-D625 PolarHBondContact OG1-N 3.1Å; T623-D625 VanDerWaalsContact OG1-N 3.09Å; T623-A630 HydrophobicContact CG2-CB 3.52Å; T623-F674 PolarHBondContact N-O 3.42Å; T623-A675 HydrophobicContact CG2-CB 4.33Å; T623-A675 CarbonylContact O-C 3.57Å; T623-A675 WeakPolarHBondContact O-CA 3.41Å; T623-R676 PolarHBondContact O-N 3.29Å; T623-V677 PolarHBondContact O-N 3.07Å
624G75Confident87.4Confident12 Ų1222 Ų2212%0.12414%0.137CC..SBendtrans-76.1-15.4167.200000113.9R676G624-R676 WeakPolarHBondContact O-CD 3.47Å; G624-R676 PolarHBondContact O-NE 3.29Å
625D74Confident87.2Confident35 Ų3521.6 Ų21.619%0.18713%0.131CC..SBendtrans-61.2162.5-179.6-78.4-24.3000112.3K352 T623 T629 A675 R676K352-D625 VanDerWaalsContact CD-OD2 3.29Å; K352-D625 WeakPolarHBondContact CD-OD2 3.37Å; K352-D625 WeakPolarHBondContact CE-OD2 2.92Å; K352-D625 IonicContact NZ-OD1 2.7Å; K352-D625 IonicContact NZ-OD2 2.79Å; K352-D625 PolarHBondContact NZ-OD2 3.21Å; T623-D625 VanDerWaalsContact C-N 3.3Å; T623-D625 HydrophobicContact CG2-CB 4.02Å; T623-D625 WeakPolarHBondContact OG1-CB 3.43Å; T623-D625 PolarHBondContact OG1-N 3.1Å; T623-D625 VanDerWaalsContact OG1-N 3.09Å; D625-T629 HydrophobicContact CB-CG2 4.48Å; D625-A675 WeakPolarHBondContact O-CB 3.47Å; D625-R676 PolarHBondContact O-N 3.2Å; D625-R676 VanDerWaalsContact O-N 3.11Å
626N75.1Confident86.8Confident75 Ų7527.8 Ų27.840%0.40115%0.154SC..  trans-64.7155.7171.674.855.4000111.2G628 T629 A630N626-G628 VanDerWaalsContact C-N 3.3Å; N626-G628 PolarHBondContact O-N 3.48Å; N626-G628 PolarHBondContact OD1-N 3.48Å; N626-T629 PolarHBondContact ND2-OG1 3.39Å; N626-T629 PolarHBondContact O-N 2.8Å; N626-T629 WeakPolarHBondContact OD1-CB 3.23Å; N626-T629 PolarHBondContact OD1-N 3.49Å; N626-T629 PolarHBondContact OD1-OG1 3.2Å; N626-A630 WeakPolarHBondContact O-CB 3.43Å; N626-A630 PolarHBondContact O-N 3.31Å
627K83.3Confident86.6Confident50 Ų5025.9 Ų25.922%0.21713%0.133CC..Hα-helixtrans-56.2-40.5-177.7-169.8176.5-176.1165.40113.2A630 V631 A650 T652 E655 A675K627-A630 PolarHBondContact O-N 3.21Å; K627-V631 HydrophobicContact CG-CG2 4.42Å; K627-V631 WeakPolarHBondContact O-CB 3.14Å; K627-V631 VanDerWaalsContact O-CG2 3.26Å; K627-V631 WeakPolarHBondContact O-CG2 3.46Å; K627-V631 PolarHBondContact O-N 3.12Å; K627-A650 WeakPolarHBondContact CE-O 3.48Å; K627-A650 PolarHBondContact NZ-O 2.78Å; K627-T652 HydrophobicContact CB-CG2 3.92Å; K627-T652 HydrophobicContact CD-CG2 4.05Å; K627-T652 HydrophobicContact CG-CG2 4.38Å; K627-E655 VanDerWaalsContact NZ-CD 3.3Å; K627-E655 IonicContact NZ-OE1 3.8Å; K627-E655 PolarHBondContact NZ-OE1 3.3Å; K627-E655 VanDerWaalsContact NZ-OE1 3.1Å; K627-E655 IonicContact NZ-OE2 3.79Å; K627-E655 PolarHBondContact NZ-OE2 2.79Å; K627-A675 HydrophobicContact CB-CB 4.19Å
628G81.4Confident86.3Confident46 Ų4626.6 Ų26.647%0.47414%0.143SC..Hα-helixtrans-63.4-49.4-178.400000112.9N626 V631 A632N626-G628 VanDerWaalsContact C-N 3.3Å; N626-G628 PolarHBondContact O-N 3.48Å; N626-G628 PolarHBondContact OD1-N 3.48Å; G628-V631 PolarHBondContact O-N 3.43Å; G628-A632 PolarHBondContact O-N 3.09Å; G628-A632 VanDerWaalsContact O-N 3.09Å
629T77.6Confident86.2Confident26 Ų2625.9 Ų25.916%0.1614%0.141CC..Hα-helixtrans-61.9-44.9175.4-58.40000111D625 N626 V631 A632 I633D625-T629 HydrophobicContact CB-CG2 4.48Å; N626-T629 PolarHBondContact ND2-OG1 3.39Å; N626-T629 PolarHBondContact O-N 2.8Å; N626-T629 WeakPolarHBondContact OD1-CB 3.23Å; N626-T629 PolarHBondContact OD1-N 3.49Å; N626-T629 PolarHBondContact OD1-OG1 3.2Å; T629-V631 PolarHBondContact O-N 2.82Å; T629-A632 PolarHBondContact O-N 2.98Å; T629-I633 HydrophobicContact CG2-CD1 4.01Å; T629-I633 WeakPolarHBondContact O-CG1 3.16Å; T629-I633 PolarHBondContact O-N 3.15Å
630A84.4Confident85.9Confident0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-59.6-45.8179.700000112.4T623 N626 K627 I633 C634 C673 A675T623-A630 HydrophobicContact CG2-CB 3.52Å; N626-A630 WeakPolarHBondContact O-CB 3.43Å; N626-A630 PolarHBondContact O-N 3.31Å; K627-A630 PolarHBondContact O-N 3.21Å; A630-I633 PolarHBondContact O-N 2.81Å; A630-C634 WeakPolarHBondContact O-CB 3.39Å; A630-C634 PolarHBondContact O-N 3.06Å; A630-C634 PolarHBondContact O-SG 3.08Å; A630-C673 VanDerWaalsContact CB-SG 3.57Å; A630-A675 HydrophobicContact CB-CB 3.96Å
631V87.8Confident85.5Confident9 Ų929.7 Ų29.76%0.05516%0.159CC..Hα-helixtrans-64.7-40.4177.6169.70000111.7K627 G628 T629 C634 R635 L640 I646 A650K627-V631 HydrophobicContact CG-CG2 4.42Å; K627-V631 WeakPolarHBondContact O-CB 3.14Å; K627-V631 VanDerWaalsContact O-CG2 3.26Å; K627-V631 WeakPolarHBondContact O-CG2 3.46Å; K627-V631 PolarHBondContact O-N 3.12Å; G628-V631 PolarHBondContact O-N 3.43Å; T629-V631 PolarHBondContact O-N 2.82Å; V631-C634 PolarHBondContact O-N 3.41Å; V631-R635 WeakPolarHBondContact O-CG 3.25Å; V631-R635 PolarHBondContact O-N 2.92Å; V631-L640 HydrophobicContact CG1-CD1 4.22Å; V631-L640 HydrophobicContact CG2-CD1 4.49Å; V631-I646 HydrophobicContact CG1-CD1 3.81Å; V631-I646 HydrophobicContact CG1-CG1 4.08Å; V631-I646 HydrophobicContact CG1-CG2 4.32Å; V631-I646 HydrophobicContact CG2-CG2 3.86Å; V631-A650 HydrophobicContact CG2-CB 3.74Å
632A83.6Confident84.8Confident11 Ų1135.2 Ų35.29%0.09119%0.185CC..Hα-helixtrans-64.6-42.3177.700000112.4T556 G628 T629 R635 R636T556-A632 HydrophobicContact CG2-CB 3.26Å; T556-A632 WeakPolarHBondContact OG1-CB 3.38Å; G628-A632 PolarHBondContact O-N 3.09Å; G628-A632 VanDerWaalsContact O-N 3.09Å; T629-A632 PolarHBondContact O-N 2.98Å; A632-R635 PolarHBondContact O-N 3.32Å; A632-R636 WeakPolarHBondContact O-CB 3.35Å; A632-R636 PolarHBondContact O-N 2.78Å
633I85.7Confident84.5Confident7 Ų742.3 Ų42.34%0.03622%0.223CC..Hα-helixtrans-64.6-45.5174.9-62.7175.8000110.1K352 M621 T629 A630 R635 R636 I637K352-I633 HydrophobicContact CD-CD1 3.61Å; K352-I633 HydrophobicContact CG-CD1 4.33Å; M621-I633 HydrophobicContact CE-CB 4.21Å; M621-I633 HydrophobicContact CE-CG2 3.61Å; T629-I633 HydrophobicContact CG2-CD1 4.01Å; T629-I633 WeakPolarHBondContact O-CG1 3.16Å; T629-I633 PolarHBondContact O-N 3.15Å; A630-I633 PolarHBondContact O-N 2.81Å; I633-R635 VanDerWaalsContact C-N 3.27Å; I633-R635 PolarHBondContact O-N 3.23Å; I633-R636 WeakPolarHBondContact O-CB 3.33Å; I633-R636 PolarHBondContact O-N 3.47Å; I633-I637 HydrophobicContact CG2-CD1 4.49Å; I633-I637 WeakPolarHBondContact O-CG1 3.36Å; I633-I637 PolarHBondContact O-N 3.27Å
634C90.1Very high84.5Confident0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-54.8-42.1176.3-75.60000112.4M621 A630 V631 G638 I639 L640M621-C634 PolarHBondContact SD-SG 3.39Å; A630-C634 WeakPolarHBondContact O-CB 3.39Å; A630-C634 PolarHBondContact O-N 3.06Å; A630-C634 PolarHBondContact O-SG 3.08Å; V631-C634 PolarHBondContact O-N 3.41Å; C634-G638 PolarHBondContact O-N 3.43Å; C634-G638 VanDerWaalsContact O-N 3.11Å; C634-I639 HydrophobicContact CB-CB 4.17Å; C634-I639 HydrophobicContact CB-CG2 4.38Å; C634-I639 PolarHBondContact O-N 3.16Å; C634-L640 HydrophobicContact CB-CB 4.14Å; C634-L640 HydrophobicContact CB-CD1 3.7Å; C634-L640 HydrophobicContact CB-CG 3.86Å; C634-L640 PolarHBondContact O-N 3.36Å
635R88.6Confident85Confident100 Ų10048.1 Ų48.138%0.37725%0.251SS..Hα-helixtrans-65.8-42175-76.5176.6167.6161.8-8.4112.3V631 A632 I633 I637 G638 L640 E642V631-R635 WeakPolarHBondContact O-CG 3.25Å; V631-R635 PolarHBondContact O-N 2.92Å; A632-R635 PolarHBondContact O-N 3.32Å; I633-R635 VanDerWaalsContact C-N 3.27Å; I633-R635 PolarHBondContact O-N 3.23Å; R635-I637 PolarHBondContact O-N 3.32Å; R635-G638 PolarHBondContact O-N 2.94Å; R635-L640 WeakPolarHBondContact CA-O 3.5Å; R635-L640 HydrophobicContact CG-CB 4.05Å; R635-E642 PolarHBondContact NH2-O 2.73Å
636R85.8Confident85.6Confident130 Ų13048.9 Ų48.949%0.49126%0.255SS..Hα-helixtrans-64.8-37.4-178.4-171.5170.5-177.1153.51113.1P601 A632 I633P601-R636 HydrophobicContact CG-CG 4.45Å; A632-R636 WeakPolarHBondContact O-CB 3.35Å; A632-R636 PolarHBondContact O-N 2.78Å; I633-R636 WeakPolarHBondContact O-CB 3.33Å; I633-R636 PolarHBondContact O-N 3.47Å
637I89.5Confident86Confident5 Ų552.3 Ų52.33%0.02627%0.268CS..Hα-helixtrans-91.7-3.4178.669.2-177.7000113.3L356 P601 V605 M621 I633 R635 I639L356-I637 HydrophobicContact CD1-CD1 3.96Å; L356-I637 HydrophobicContact CD2-CD1 4.46Å; P601-I637 HydrophobicContact CB-CG2 3.43Å; P601-I637 VanDerWaalsContact CB-CG2 3.43Å; P601-I637 HydrophobicContact CG-CG2 3.98Å; V605-I637 HydrophobicContact CG1-CB 4.1Å; V605-I637 HydrophobicContact CG1-CD1 4.16Å; V605-I637 HydrophobicContact CG1-CG2 4.2Å; M621-I637 HydrophobicContact CE-CD1 3.52Å; I633-I637 HydrophobicContact CG2-CD1 4.49Å; I633-I637 WeakPolarHBondContact O-CG1 3.36Å; I633-I637 PolarHBondContact O-N 3.27Å; R635-I637 PolarHBondContact O-N 3.32Å; I637-I639 HydrophobicContact CD1-CD1 3.61Å; I637-I639 HydrophobicContact CD1-CG1 4Å; I637-I639 HydrophobicContact CG1-CB 4.5Å; I637-I639 HydrophobicContact CG1-CD1 4.15Å; I637-I639 HydrophobicContact CG1-CG1 3.98Å
638G90.6Very high86.1Confident23 Ų2355.4 Ų55.424%0.23728%0.283CS..THydrogen-bonded Turntrans82.818.1175.100000115.6R613 C634 R635R613-G638 PolarHBondContact NH2-O 3.07Å; C634-G638 PolarHBondContact O-N 3.43Å; C634-G638 VanDerWaalsContact O-N 3.11Å; R635-G638 PolarHBondContact O-N 2.94Å
639I93.5Very high86.6Confident7 Ų755 Ų554%0.03627%0.269CS..SBendtrans-68.1-48.1169.5-72.4178000110L356 I609 V619 M621 C634 I637 R672L356-I639 HydrophobicContact CD1-CD1 4.41Å; I609-I639 HydrophobicContact CD1-CD1 4.27Å; I609-I639 HydrophobicContact CD1-CG1 3.93Å; I609-I639 HydrophobicContact CG1-CG1 4.27Å; I609-I639 HydrophobicContact CG2-CG1 4.15Å; V619-I639 HydrophobicContact CB-CD1 4.49Å; V619-I639 HydrophobicContact CB-CG1 4.44Å; V619-I639 HydrophobicContact CG1-CD1 3.89Å; V619-I639 HydrophobicContact CG1-CG1 4.32Å; M621-I639 HydrophobicContact CB-CD1 4.04Å; M621-I639 HydrophobicContact CE-CD1 4.25Å; C634-I639 HydrophobicContact CB-CB 4.17Å; C634-I639 HydrophobicContact CB-CG2 4.38Å; C634-I639 PolarHBondContact O-N 3.16Å; I637-I639 HydrophobicContact CD1-CD1 3.61Å; I637-I639 HydrophobicContact CD1-CG1 4Å; I637-I639 HydrophobicContact CG1-CB 4.5Å; I637-I639 HydrophobicContact CG1-CD1 4.15Å; I637-I639 HydrophobicContact CG1-CG1 3.98Å; I639-R672 HydrophobicContact CG2-CB 3.78Å
640L91.8Very high87.3Confident3 Ų353.7 Ų53.72%0.01626%0.262CS..SBendtrans-103.5144.5172.9-69.2172.9000109.7V631 C634 R635 D644 M649 R672V631-L640 HydrophobicContact CG1-CD1 4.22Å; V631-L640 HydrophobicContact CG2-CD1 4.49Å; C634-L640 HydrophobicContact CB-CB 4.14Å; C634-L640 HydrophobicContact CB-CD1 3.7Å; C634-L640 HydrophobicContact CB-CG 3.86Å; C634-L640 PolarHBondContact O-N 3.36Å; R635-L640 WeakPolarHBondContact CA-O 3.5Å; R635-L640 HydrophobicContact CG-CB 4.05Å; L640-D644 WeakPolarHBondContact CA-OD2 3.41Å; L640-D644 HydrophobicContact CD2-CB 4.27Å; L640-M649 HydrophobicContact CD2-CB 4.1Å; L640-M649 HydrophobicContact CD2-CE 4.34Å; L640-R672 HydrophobicContact CD2-CB 3.9Å; L640-R672 HydrophobicContact CD2-CG 4.26Å
641M88.1Confident87.8Confident82 Ų8254.7 Ų54.740%0.40427%0.266SS..  trans-89170.4170.5-53.8-61.2-81.800110.2R613 D643 D644R613-M641 PolarHBondContact NH1-SD 3.05Å; M641-D643 VanDerWaalsContact C-N 3.29Å; M641-D643 PolarHBondContact O-N 3.47Å; M641-D644 PolarHBondContact N-OD2 3.3Å
642E79.6Confident87.8Confident117 Ų11755.5 Ų55.555%0.54727%0.271SS..THydrogen-bonded Turntrans-69.5-34-177.9-66.1-167.2-174.500112.2R554 R635R554-E642 IonicContact CZ-OE1 2.65Å; R554-E642 IonicContact CZ-OE2 3.91Å; R554-E642 IonicContact NH1-OE1 3.34Å; R554-E642 PolarHBondContact NH1-OE1 2.93Å; R554-E642 IonicContact NH2-OE1 2.91Å; R554-E642 PolarHBondContact NH2-OE1 2.97Å; R554-E642 IonicContact NH2-OE2 3.62Å; R554-E642 PolarHBondContact NH2-OE2 3.06Å; R635-E642 PolarHBondContact NH2-O 2.73Å
643D83.5Confident87.9Confident150 Ų15055.1 Ų55.180%0.80227%0.268SS*.THydrogen-bonded Turntrans-92.10.4-174.727.5-46.3000113.5M641M641-D643 VanDerWaalsContact C-N 3.29Å; M641-D643 PolarHBondContact O-N 3.47Å
644D85.6Confident87.8Confident49 Ų4962.5 Ų62.526%0.26230%0.295SS..SBendtrans-69.2140.3174.3-76.5-16.3000111.9L640 M641 I646L640-D644 WeakPolarHBondContact CA-OD2 3.41Å; L640-D644 HydrophobicContact CD2-CB 4.27Å; M641-D644 PolarHBondContact N-OD2 3.3Å; D644-I646 PolarHBondContact O-N 3.08Å
645D86.4Confident87.8Confident86 Ų8665.9 Ų65.946%0.4631%0.311SS..  trans-75.7101.5175.9-175.6-2.9000111.6E647 H648 M649D645-E647 VanDerWaalsContact C-N 3.28Å; D645-E647 PolarHBondContact O-N 3.41Å; D645-E647 PolarHBondContact OD1-N 3.49Å; D645-E647 VanDerWaalsContact OD1-N 3.08Å; D645-H648 PolarHBondContact O-N 3.45Å; D645-H648 IonicContact OD2-CD2 3.1Å; D645-H648 PolarHBondContact OD2-CD2 3.38Å; D645-M649 WeakPolarHBondContact O-CB 3.41Å; D645-M649 WeakPolarHBondContact O-CG 3.15Å; D645-M649 PolarHBondContact O-N 2.86Å
646I85.9Confident88Confident50 Ų5061.1 Ų61.126%0.25629%0.293SS..Hα-helixtrans-64.2-31.7-177.1-60163.6000112V631 D644 H648 M649 A650V631-I646 HydrophobicContact CG1-CD1 3.81Å; V631-I646 HydrophobicContact CG1-CG1 4.08Å; V631-I646 HydrophobicContact CG1-CG2 4.32Å; V631-I646 HydrophobicContact CG2-CG2 3.86Å; D644-I646 PolarHBondContact O-N 3.08Å; I646-H648 PolarHBondContact O-N 3.07Å; I646-M649 PolarHBondContact O-N 3.26Å; I646-A650 HydrophobicContact CG2-CB 3.89Å; I646-A650 PolarHBondContact O-N 3.45Å
647E83.8Confident88.1Confident148 Ų14858.7 Ų58.769%0.69229%0.29SS*.Hα-helixtrans-64.7-31.6-174.8-70.7-169.1169.900112.1D645D645-E647 VanDerWaalsContact C-N 3.28Å; D645-E647 PolarHBondContact O-N 3.41Å; D645-E647 PolarHBondContact OD1-N 3.49Å; D645-E647 VanDerWaalsContact OD1-N 3.08Å
648H85.2Confident88.1Confident115 Ų11564.8 Ų64.853%0.53232%0.318SS..Hα-helixtrans-103.8-8.3179.5-64.9-46.1000114.2D645 I646 F651D645-H648 PolarHBondContact O-N 3.45Å; D645-H648 IonicContact OD2-CD2 3.1Å; D645-H648 PolarHBondContact OD2-CD2 3.38Å; I646-H648 PolarHBondContact O-N 3.07Å; H648-F651 VanDerWaalsContact O-CE2 3.28Å; H648-F651 WeakPolarHBondContact O-CE2 3.13Å
649M91.5Very high88.2Confident36 Ų3666.3 Ų66.318%0.17732%0.321CS..Hα-helixtrans-110.7-17.5-175.4-63.4-76.3-81.700113.7L640 D645 I646 K670 A671 R672 C673L640-M649 HydrophobicContact CD2-CB 4.1Å; L640-M649 HydrophobicContact CD2-CE 4.34Å; D645-M649 WeakPolarHBondContact O-CB 3.41Å; D645-M649 WeakPolarHBondContact O-CG 3.15Å; D645-M649 PolarHBondContact O-N 2.86Å; I646-M649 PolarHBondContact O-N 3.26Å; M649-K670 HydrophobicContact SD-CB 4.09Å; M649-A671 WeakPolarHBondContact O-CA 3.31Å; M649-R672 HydrophobicContact CE-CG 3.56Å; M649-R672 PolarHBondContact O-N 2.75Å; M649-C673 PolarHBondContact O-N 2.85Å
650A93.1Very high88.3Confident0 Ų070.2 Ų70.20%035%0.345CS..EExtended strand (participates in β ladder)trans-129.8126.5178.800000111.8K627 V631 I646 C673K627-A650 WeakPolarHBondContact CE-O 3.48Å; K627-A650 PolarHBondContact NZ-O 2.78Å; V631-A650 HydrophobicContact CG2-CB 3.74Å; I646-A650 HydrophobicContact CG2-CB 3.89Å; I646-A650 PolarHBondContact O-N 3.45Å; A650-C673 VanDerWaalsContact CA-O 3.27Å; A650-C673 WeakPolarHBondContact CA-O 3.36Å; A650-C673 HydrophobicContact CB-CB 3.94Å
651F93.7Very high88.2Confident21 Ų2174.6 Ų74.69%0.09237%0.374CS..EExtended strand (participates in β ladder)trans-125.9146.5-179.4-61.4-86.7000110.9H648 E655 F656 L659 A667 A671 C673 F674 A675H648-F651 VanDerWaalsContact O-CE2 3.28Å; H648-F651 WeakPolarHBondContact O-CE2 3.13Å; F651-E655 WeakPolarHBondContact CA-OE2 3.35Å; F651-E655 HydrophobicContact CD1-CB 4.49Å; F651-F656 HydrophobicContact CB-CB 4.46Å; F651-L659 HydrophobicContact CD1-CD1 4.4Å; F651-L659 HydrophobicContact CE1-CD1 4.18Å; F651-A667 HydrophobicContact CE2-CB 3.9Å; F651-A667 HydrophobicContact CZ-CB 3.95Å; F651-A671 HydrophobicContact CD2-CB 4Å; F651-A671 HydrophobicContact CE2-CB 4.04Å; F651-C673 PolarHBondContact N-O 3.37Å; F651-F674 HydrophobicContact CB-CD1 3.99Å; F651-F674 HydrophobicContact CB-CE1 4.08Å; F651-F674 HydrophobicContact CD2-CE1 4.15Å; F651-F674 HydrophobicContact CG-CE1 4.47Å; F651-F674 CarbonylContact O-C 3.6Å; F651-F674 VanDerWaalsContact O-CA 3.29Å; F651-F674 WeakPolarHBondContact O-CA 3.41Å; F651-A675 PolarHBondContact O-N 3.27Å
652T88.6Confident88.3Confident25 Ų2579.3 Ų79.315%0.15339%0.388CS..EExtended strand (participates in β ladder)trans-81.3158.9159.264.20000110.6K627 R654 E655 F656 A675K627-T652 HydrophobicContact CB-CG2 3.92Å; K627-T652 HydrophobicContact CD-CG2 4.05Å; K627-T652 HydrophobicContact CG-CG2 4.38Å; T652-R654 PolarHBondContact O-N 2.73Å; T652-E655 PolarHBondContact N-OE2 3.36Å; T652-E655 PolarHBondContact O-N 2.65Å; T652-E655 WeakPolarHBondContact OG1-CB 3.48Å; T652-E655 VanDerWaalsContact OG1-CG 3.23Å; T652-E655 WeakPolarHBondContact OG1-CG 3.47Å; T652-E655 PolarHBondContact OG1-N 3.01Å; T652-E655 VanDerWaalsContact OG1-N 3.09Å; T652-E655 PolarHBondContact OG1-OE2 3.33Å; T652-F656 WeakPolarHBondContact O-CB 3.08Å; T652-F656 PolarHBondContact O-N 2.94Å; T652-A675 CarbonylContact C-O 3.47Å; T652-A675 WeakPolarHBondContact CA-O 3.02Å
653G86.3Confident88.9Confident3 Ų375.1 Ų75.13%0.03137%0.374CS..Hα-helixtrans-52.8-40.6172.700000112.5F656 D657 A675 H681G653-F656 WeakPolarHBondContact O-CB 3.42Å; G653-F656 PolarHBondContact O-N 3.48Å; G653-D657 PolarHBondContact O-N 3.3Å; G653-A675 PolarHBondContact N-O 3.13Å; G653-H681 PolarHBondContact O-NE2 2.85Å
654R83.1Confident89.4Confident162 Ų16268.9 Ų68.961%0.61134%0.34SS*.Hα-helixtrans-66.9-47.5176.5-177.2177.9175.21532.2113.4D196 T652 F656 D657 E658D196-R654 IonicContact OD2-NH1 3.86Å; T652-R654 PolarHBondContact O-N 2.73Å; R654-F656 PolarHBondContact O-N 3.16Å; R654-D657 PolarHBondContact O-N 2.88Å; R654-E658 IonicContact CZ-OE1 3.07Å; R654-E658 IonicContact NE-OE1 3.46Å; R654-E658 PolarHBondContact NE-OE1 2.73Å; R654-E658 IonicContact NH2-OE1 3.09Å; R654-E658 WeakPolarHBondContact O-CG 3.4Å; R654-E658 PolarHBondContact O-N 2.69Å
655E89.1Confident89.7Confident71 Ų7171.7 Ų71.733%0.33235%0.347SS..Hα-helixtrans-57.6-39.1175.3-74.9166.716800110.2K627 F651 T652 E658 L659K627-E655 VanDerWaalsContact NZ-CD 3.3Å; K627-E655 IonicContact NZ-OE1 3.8Å; K627-E655 PolarHBondContact NZ-OE1 3.3Å; K627-E655 VanDerWaalsContact NZ-OE1 3.1Å; K627-E655 IonicContact NZ-OE2 3.79Å; K627-E655 PolarHBondContact NZ-OE2 2.79Å; F651-E655 WeakPolarHBondContact CA-OE2 3.35Å; F651-E655 HydrophobicContact CD1-CB 4.49Å; T652-E655 PolarHBondContact N-OE2 3.36Å; T652-E655 PolarHBondContact O-N 2.65Å; T652-E655 WeakPolarHBondContact OG1-CB 3.48Å; T652-E655 VanDerWaalsContact OG1-CG 3.23Å; T652-E655 WeakPolarHBondContact OG1-CG 3.47Å; T652-E655 PolarHBondContact OG1-N 3.01Å; T652-E655 VanDerWaalsContact OG1-N 3.09Å; T652-E655 PolarHBondContact OG1-OE2 3.33Å; E655-E658 PolarHBondContact O-N 3.04Å; E655-L659 WeakPolarHBondContact O-CG 3.48Å; E655-L659 PolarHBondContact O-N 2.77Å
656F92.3Very high90Very high1 Ų171.6 Ų71.60%0.00434%0.344CS..Hα-helixtrans-66.7-44.3177.3-173.2-111.9000112.3F651 T652 G653 R654 E658 L659 Q664 A667 V668 F674 H681 F688F651-F656 HydrophobicContact CB-CB 4.46Å; T652-F656 WeakPolarHBondContact O-CB 3.08Å; T652-F656 PolarHBondContact O-N 2.94Å; G653-F656 WeakPolarHBondContact O-CB 3.42Å; G653-F656 PolarHBondContact O-N 3.48Å; R654-F656 PolarHBondContact O-N 3.16Å; F656-E658 VanDerWaalsContact C-N 3.3Å; F656-E658 PolarHBondContact O-N 3.25Å; F656-L659 HydrophobicContact CD2-CD1 4.27Å; F656-L659 WeakPolarHBondContact O-CB 3.48Å; F656-L659 PolarHBondContact O-N 3.35Å; F656-Q664 HydrophobicContact CD2-CB 4.46Å; F656-Q664 HydrophobicContact CD2-CG 4.19Å; F656-Q664 HydrophobicContact CE1-CB 4.46Å; F656-Q664 HydrophobicContact CE1-CG 4.32Å; F656-Q664 HydrophobicContact CE2-CB 3.7Å; F656-Q664 HydrophobicContact CE2-CG 3.89Å; F656-Q664 HydrophobicContact CZ-CB 3.71Å; F656-Q664 HydrophobicContact CZ-CG 3.96Å; F656-Q664 WeakPolarHBondContact O-CG 3.03Å; F656-Q664 PolarHBondContact O-NE2 3.28Å; F656-A667 HydrophobicContact CE2-CB 4.42Å; F656-V668 HydrophobicContact CE2-CG2 3.8Å; F656-V668 HydrophobicContact CZ-CG2 3.77Å; F656-F674 AromaticContact CD2-CE1 3.84Å; F656-F674 HydrophobicContact CD2-CE1 3.84Å; F656-F674 HydrophobicContact CE2-CE1 4.11Å; F656-F674 HydrophobicContact CG-CE1 4.25Å; F656-H681 AromaticContact CD1-CD2 3.99Å; F656-F688 HydrophobicContact CE1-CE2 4.28Å; F656-F688 AromaticContact CZ-CD2 3.97Å; F656-F688 HydrophobicContact CZ-CD2 3.97Å; F656-F688 AromaticContact CZ-CE2 3.84Å; F656-F688 HydrophobicContact CZ-CE2 3.84Å
657D88.4Confident90.3Very high78 Ų7869.7 Ų69.742%0.41734%0.336SS..Hα-helixtrans-65.5-28.2176.1-91.6-17.7000114G653 R654 L659 H681 K684G653-D657 PolarHBondContact O-N 3.3Å; R654-D657 PolarHBondContact O-N 2.88Å; D657-L659 VanDerWaalsContact C-N 3.26Å; D657-L659 PolarHBondContact O-N 2.81Å; D657-H681 IonicContact OD1-CD2 3.1Å; D657-H681 IonicContact OD1-NE2 3.69Å; D657-H681 PolarHBondContact OD1-NE2 3.49Å; D657-H681 VanDerWaalsContact OD1-NE2 3.09Å; D657-H681 IonicContact OD2-CE1 3.84Å; D657-H681 PolarHBondContact OD2-CE1 3.39Å; D657-H681 IonicContact OD2-NE2 2.69Å; D657-H681 PolarHBondContact OD2-NE2 3.36Å; D657-K684 IonicContact OD1-NZ 3.63Å
658E90.9Very high90.8Very high134 Ų13462.7 Ų62.763%0.62630%0.303SS*.Hα-helixtrans-74.5-17.2176.2-73.1174.4-172.500112.5R654 E655 F656R654-E658 IonicContact CZ-OE1 3.07Å; R654-E658 IonicContact NE-OE1 3.46Å; R654-E658 PolarHBondContact NE-OE1 2.73Å; R654-E658 IonicContact NH2-OE1 3.09Å; R654-E658 WeakPolarHBondContact O-CG 3.4Å; R654-E658 PolarHBondContact O-N 2.69Å; E655-E658 PolarHBondContact O-N 3.04Å; F656-E658 VanDerWaalsContact C-N 3.3Å; F656-E658 PolarHBondContact O-N 3.25Å
659L92.4Very high91Very high54 Ų5459.7 Ų59.728%0.28329%0.292SS..SBendtrans-72.1149174-62.7175.9000111.6F651 E655 F656 D657 A663 Q664 A667F651-L659 HydrophobicContact CD1-CD1 4.4Å; F651-L659 HydrophobicContact CE1-CD1 4.18Å; E655-L659 WeakPolarHBondContact O-CG 3.48Å; E655-L659 PolarHBondContact O-N 2.77Å; F656-L659 HydrophobicContact CD2-CD1 4.27Å; F656-L659 WeakPolarHBondContact O-CB 3.48Å; F656-L659 PolarHBondContact O-N 3.35Å; D657-L659 VanDerWaalsContact C-N 3.26Å; D657-L659 PolarHBondContact O-N 2.81Å; L659-A663 HydrophobicContact CB-CB 4.12Å; L659-A663 HydrophobicContact CD2-CB 4.41Å; L659-Q664 HydrophobicContact CB-CG 3.72Å; L659-A667 HydrophobicContact CD1-CB 4.02Å
660T94.3Very high90.9Very high89 Ų8962.8 Ų62.855%0.54631%0.305SS..  trans-64.3152.5168.967.30000110.6Y662 A663 Q664T660-Y662 PolarHBondContact O-N 3.22Å; T660-Y662 VanDerWaalsContact O-N 3.09Å; T660-A663 CarbonylContact O-C 3.5Å; T660-A663 WeakPolarHBondContact O-CA 3.41Å; T660-A663 PolarHBondContact O-N 3.49Å; T660-A663 WeakPolarHBondContact OG1-CB 3.5Å; T660-A663 PolarHBondContact OG1-N 3.29Å; T660-Q664 PolarHBondContact O-N 3.01Å
661P90.1Very high91Very high96 Ų9662.8 Ų62.862%0.62331%0.305SS*.Hα-helixtrans-54.9-33.8-179.6-28.435.3000114.2R665P661-R665 PolarHBondContact O-N 3.45Å; P661-R665 VanDerWaalsContact O-N 3.11Å
662Y90.5Very high91Very high180 Ų18065.2 Ų65.271%0.70631%0.313SS*.Hα-helixtrans-66.7-45173.7179.6-91.7000112T660 R665 E666T660-Y662 PolarHBondContact O-N 3.22Å; T660-Y662 VanDerWaalsContact O-N 3.09Å; Y662-R665 PolarHBondContact O-N 3.3Å; Y662-E666 PolarHBondContact O-N 3.14Å
663A92.8Very high91.3Very high30 Ų3064 Ų6425%0.24831%0.306CS..Hα-helixtrans-68.9-32.9177.500000112.5L659 T660 E666 A667L659-A663 HydrophobicContact CB-CB 4.12Å; L659-A663 HydrophobicContact CD2-CB 4.41Å; T660-A663 CarbonylContact O-C 3.5Å; T660-A663 WeakPolarHBondContact O-CA 3.41Å; T660-A663 PolarHBondContact O-N 3.49Å; T660-A663 WeakPolarHBondContact OG1-CB 3.5Å; T660-A663 PolarHBondContact OG1-N 3.29Å; A663-E666 PolarHBondContact O-N 3.01Å; A663-A667 VanDerWaalsContact O-CB 3.25Å; A663-A667 WeakPolarHBondContact O-CB 3.46Å; A663-A667 PolarHBondContact O-N 3.37Å
664Q92.9Very high91.6Very high18 Ų1864 Ų648%0.08431%0.305CS..Hα-helixtrans-59.7-49.5170.8-73.1-178.7-22.100110.8F656 L659 T660 E666 A667 V668 F688F656-Q664 HydrophobicContact CD2-CB 4.46Å; F656-Q664 HydrophobicContact CD2-CG 4.19Å; F656-Q664 HydrophobicContact CE1-CB 4.46Å; F656-Q664 HydrophobicContact CE1-CG 4.32Å; F656-Q664 HydrophobicContact CE2-CB 3.7Å; F656-Q664 HydrophobicContact CE2-CG 3.89Å; F656-Q664 HydrophobicContact CZ-CB 3.71Å; F656-Q664 HydrophobicContact CZ-CG 3.96Å; F656-Q664 WeakPolarHBondContact O-CG 3.03Å; F656-Q664 PolarHBondContact O-NE2 3.28Å; L659-Q664 HydrophobicContact CB-CG 3.72Å; T660-Q664 PolarHBondContact O-N 3.01Å; Q664-E666 VanDerWaalsContact C-N 3.33Å; Q664-E666 PolarHBondContact O-N 3.38Å; Q664-A667 PolarHBondContact O-N 3.01Å; Q664-V668 WeakPolarHBondContact O-CG2 3.2Å; Q664-V668 PolarHBondContact O-N 2.94Å; Q664-V668 VanDerWaalsContact O-N 3.08Å; Q664-F688 HydrophobicContact CB-CE2 3.84Å; Q664-F688 HydrophobicContact CB-CZ 4Å
665R92.6Very high91.8Very high108 Ų10856.2 Ų56.241%0.40828%0.276SS..Hα-helixtrans-59.2-42.9177.3-173.6178.3177.4177.62.9111.7P661 Y662 F688 G691 F692P661-R665 PolarHBondContact O-N 3.45Å; P661-R665 VanDerWaalsContact O-N 3.11Å; Y662-R665 PolarHBondContact O-N 3.3Å; R665-F688 HydrophobicContact CB-CD1 3.92Å; R665-F688 HydrophobicContact CB-CE1 4.14Å; R665-F688 HydrophobicContact CG-CD1 4.08Å; R665-G691 PolarHBondContact NH2-O 3.2Å; R665-F692 HydrophobicContact CG-CE2 3.43Å; R665-F692 VanDerWaalsContact CG-CE2 3.43Å; R665-F692 HydrophobicContact CG-CZ 3.52Å; R665-F692 WeakPolarHBondContact O-CE2 3.33Å
666E92.1Very high91.4Very high85 Ų8557.9 Ų57.940%0.39728%0.279SS..Hα-helixtrans-66.7-42.9175.2-164.5-171.6156.300112.1Y662 A663 Q664 V668 T669 K670Y662-E666 PolarHBondContact O-N 3.14Å; A663-E666 PolarHBondContact O-N 3.01Å; Q664-E666 VanDerWaalsContact C-N 3.33Å; Q664-E666 PolarHBondContact O-N 3.38Å; E666-V668 VanDerWaalsContact C-N 3.28Å; E666-V668 PolarHBondContact O-N 2.83Å; E666-T669 WeakPolarHBondContact O-CB 3.45Å; E666-T669 PolarHBondContact O-N 3.37Å; E666-T669 PolarHBondContact O-OG1 3.14Å; E666-K670 IonicContact OE1-NZ 2.67Å; E666-K670 PolarHBondContact OE1-NZ 3.35Å
667A92.8Very high91Very high10 Ų1058.2 Ų58.28%0.08328%0.281CS..Hα-helixtrans-57.4-41.7-179.200000111.7F651 F656 L659 A663 Q664 T669 K670 A671F651-A667 HydrophobicContact CE2-CB 3.9Å; F651-A667 HydrophobicContact CZ-CB 3.95Å; F656-A667 HydrophobicContact CE2-CB 4.42Å; L659-A667 HydrophobicContact CD1-CB 4.02Å; A663-A667 VanDerWaalsContact O-CB 3.25Å; A663-A667 WeakPolarHBondContact O-CB 3.46Å; A663-A667 PolarHBondContact O-N 3.37Å; Q664-A667 PolarHBondContact O-N 3.01Å; A667-T669 PolarHBondContact O-N 3.45Å; A667-K670 PolarHBondContact O-N 3.07Å; A667-K670 VanDerWaalsContact O-N 3.13Å; A667-A671 WeakPolarHBondContact O-CB 3.31Å; A667-A671 PolarHBondContact O-N 3.06Å
668V93.4Very high90.5Very high0 Ų056.4 Ų56.40%027%0.27CS..Hα-helixtrans-62.4-23.3179173.10000113R618 F656 Q664 E666 F674 I685 F688 L689R618-V668 PolarHBondContact NH1-O 2.82Å; R618-V668 PolarHBondContact NH2-O 2.98Å; F656-V668 HydrophobicContact CE2-CG2 3.8Å; F656-V668 HydrophobicContact CZ-CG2 3.77Å; Q664-V668 WeakPolarHBondContact O-CG2 3.2Å; Q664-V668 PolarHBondContact O-N 2.94Å; Q664-V668 VanDerWaalsContact O-N 3.08Å; E666-V668 VanDerWaalsContact C-N 3.28Å; E666-V668 PolarHBondContact O-N 2.83Å; V668-F674 HydrophobicContact CG2-CZ 4.14Å; V668-I685 HydrophobicContact CG1-CG2 4.27Å; V668-F688 HydrophobicContact CB-CB 4.2Å; V668-F688 HydrophobicContact CG1-CB 4.1Å; V668-F688 HydrophobicContact CG2-CB 4.13Å; V668-F688 HydrophobicContact CG2-CD2 4.08Å; V668-F688 HydrophobicContact CG2-CG 4.5Å; V668-L689 HydrophobicContact CG1-CD1 4.41Å; V668-L689 HydrophobicContact CG1-CD2 3.44Å; V668-L689 VanDerWaalsContact CG1-CD2 3.44Å; V668-L689 HydrophobicContact CG1-CG 3.55Å
669T90.3Very high89.9Confident52 Ų5250.8 Ų50.832%0.31925%0.245SC..Hα-helixtrans-73.9-28.4176.667.10000113.5R618 E666 A667 F692R618-T669 VanDerWaalsContact NH1-C 3.34Å; R618-T669 PolarHBondContact NH1-O 3.04Å; E666-T669 WeakPolarHBondContact O-CB 3.45Å; E666-T669 PolarHBondContact O-N 3.37Å; E666-T669 PolarHBondContact O-OG1 3.14Å; A667-T669 PolarHBondContact O-N 3.45Å; T669-F692 HydrophobicContact CG2-CD2 3.89Å; T669-F692 HydrophobicContact CG2-CE1 4.11Å; T669-F692 HydrophobicContact CG2-CE2 3.35Å; T669-F692 HydrophobicContact CG2-CG 4.46Å; T669-F692 HydrophobicContact CG2-CZ 3.46Å; T669-F692 VanDerWaalsContact CG2-CZ 3.46Å
670K90.4Very high89.5Confident101 Ų10149.6 Ų49.644%0.43924%0.242SC..Hα-helixtrans-103.2-39.5-176.6-66.1170.8-176.5161.20111.6M649 E666 A667M649-K670 HydrophobicContact SD-CB 4.09Å; E666-K670 IonicContact OE1-NZ 2.67Å; E666-K670 PolarHBondContact OE1-NZ 3.35Å; A667-K670 PolarHBondContact O-N 3.07Å; A667-K670 VanDerWaalsContact O-N 3.13Å
671A93.7Very high89.2Confident0 Ų045.6 Ų45.60%022%0.217CC..  trans-52.9143.1-174.200000113.1R618 M649 F651 A667 F674R618-A671 PolarHBondContact NH1-O 3.44Å; M649-A671 WeakPolarHBondContact O-CA 3.31Å; F651-A671 HydrophobicContact CD2-CB 4Å; F651-A671 HydrophobicContact CE2-CB 4.04Å; A667-A671 WeakPolarHBondContact O-CB 3.31Å; A667-A671 PolarHBondContact O-N 3.06Å; A671-F674 HydrophobicContact CB-CE1 4.29Å; A671-F674 HydrophobicContact CB-CE2 3.61Å; A671-F674 HydrophobicContact CB-CZ 3.45Å; A671-F674 VanDerWaalsContact CB-CZ 3.45Å
672R94.4Very high89.2Confident72 Ų7241.4 Ų41.427%0.27219%0.189SC..  trans-126.9-10.2177.4-59.4-67.2178.9143.3-2.7112.5R618 V619 I620 M621 I639 L640 M649R618-R672 VanDerWaalsContact CG-CZ 3.47Å; V619-R672 WeakPolarHBondContact O-CD 3.37Å; I620-R672 CarbonylContact C-O 3.41Å; I620-R672 WeakPolarHBondContact CA-O 3.46Å; M621-R672 PolarHBondContact N-O 3.45Å; I639-R672 HydrophobicContact CG2-CB 3.78Å; L640-R672 HydrophobicContact CD2-CB 3.9Å; L640-R672 HydrophobicContact CD2-CG 4.26Å; M649-R672 HydrophobicContact CE-CG 3.56Å; M649-R672 PolarHBondContact O-N 2.75Å
673C94.8Very high89.2Confident0 Ų033.5 Ų33.50%016%0.16CC..EExtended strand (participates in β ladder)trans-143.3124.9-178.7-175.30000110.8M621 A630 M649 A650 F651M621-C673 CarbonylContact O-C 3.59Å; M621-C673 WeakPolarHBondContact O-CA 3.47Å; A630-C673 VanDerWaalsContact CB-SG 3.57Å; M649-C673 PolarHBondContact O-N 2.85Å; A650-C673 VanDerWaalsContact CA-O 3.27Å; A650-C673 WeakPolarHBondContact CA-O 3.36Å; A650-C673 HydrophobicContact CB-CB 3.94Å; F651-C673 PolarHBondContact N-O 3.37Å
674F93.3Very high89.2Confident2 Ų235.5 Ų35.51%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-118.9124168.1-66.2-88.2000109.5I620 M621 I622 T623 F651 F656 V668 A671 V677 I685I620-F674 HydrophobicContact CG2-CD2 3.72Å; I620-F674 HydrophobicContact CG2-CE2 3.9Å; M621-F674 PolarHBondContact O-N 2.9Å; I622-F674 CarbonylContact C-O 3.55Å; I622-F674 WeakPolarHBondContact CA-O 3.21Å; I622-F674 HydrophobicContact CG2-CB 4.5Å; T623-F674 PolarHBondContact N-O 3.42Å; F651-F674 HydrophobicContact CB-CD1 3.99Å; F651-F674 HydrophobicContact CB-CE1 4.08Å; F651-F674 HydrophobicContact CD2-CE1 4.15Å; F651-F674 HydrophobicContact CG-CE1 4.47Å; F651-F674 CarbonylContact O-C 3.6Å; F651-F674 VanDerWaalsContact O-CA 3.29Å; F651-F674 WeakPolarHBondContact O-CA 3.41Å; F656-F674 AromaticContact CD2-CE1 3.84Å; F656-F674 HydrophobicContact CD2-CE1 3.84Å; F656-F674 HydrophobicContact CE2-CE1 4.11Å; F656-F674 HydrophobicContact CG-CE1 4.25Å; V668-F674 HydrophobicContact CG2-CZ 4.14Å; A671-F674 HydrophobicContact CB-CE1 4.29Å; A671-F674 HydrophobicContact CB-CE2 3.61Å; A671-F674 HydrophobicContact CB-CZ 3.45Å; A671-F674 VanDerWaalsContact CB-CZ 3.45Å; F674-V677 VanDerWaalsContact C-CG2 3.43Å; F674-V677 HydrophobicContact CB-CG2 3.56Å; F674-V677 WeakPolarHBondContact O-CG2 3.26Å; F674-I685 HydrophobicContact CB-CD1 4.25Å; F674-I685 HydrophobicContact CD1-CD1 4.01Å; F674-I685 HydrophobicContact CD2-CD1 3.73Å; F674-I685 HydrophobicContact CE1-CD1 4.25Å; F674-I685 HydrophobicContact CE2-CD1 3.98Å; F674-I685 HydrophobicContact CE2-CG1 4.34Å; F674-I685 HydrophobicContact CE2-CG2 4.4Å; F674-I685 HydrophobicContact CG-CD1 3.74Å; F674-I685 HydrophobicContact CZ-CD1 4.23Å; F674-I685 HydrophobicContact CZ-CG1 4.32Å
675A86.5Confident89.3Confident0 Ų034.7 Ų34.70%016%0.159CC..EExtended strand (participates in β ladder)trans-114.8157.4-17700000111.1T623 D625 K627 A630 F651 T652 G653 V677T623-A675 HydrophobicContact CG2-CB 4.33Å; T623-A675 CarbonylContact O-C 3.57Å; T623-A675 WeakPolarHBondContact O-CA 3.41Å; D625-A675 WeakPolarHBondContact O-CB 3.47Å; K627-A675 HydrophobicContact CB-CB 4.19Å; A630-A675 HydrophobicContact CB-CB 3.96Å; F651-A675 PolarHBondContact O-N 3.27Å; T652-A675 CarbonylContact C-O 3.47Å; T652-A675 WeakPolarHBondContact CA-O 3.02Å; G653-A675 PolarHBondContact N-O 3.13Å; A675-V677 VanDerWaalsContact C-N 3.26Å; A675-V677 WeakPolarHBondContact O-CG2 3.43Å; A675-V677 PolarHBondContact O-N 3.27Å
676R81.4Confident89.3Confident105 Ų10529.6 Ų29.640%0.39614%0.14SC..SBendtrans48.948.4-178.3-70-77.4172.7146.6-6.2112.7D203 T623 G624 D625D203-R676 IonicContact OD1-NH1 2.72Å; T623-R676 PolarHBondContact O-N 3.29Å; G624-R676 WeakPolarHBondContact O-CD 3.47Å; G624-R676 PolarHBondContact O-NE 3.29Å; D625-R676 PolarHBondContact O-N 3.2Å; D625-R676 VanDerWaalsContact O-N 3.11Å
677V83.5Confident89.4Confident9 Ų930.3 Ų30.36%0.05514%0.143CC..  trans-91.6147.6-171.9-172.40000110.8I622 T623 F674 A675 H681 K682I622-V677 HydrophobicContact CG2-CB 3.88Å; I622-V677 HydrophobicContact CG2-CG1 3.79Å; I622-V677 HydrophobicContact CG2-CG2 3.85Å; T623-V677 PolarHBondContact O-N 3.07Å; F674-V677 VanDerWaalsContact C-CG2 3.43Å; F674-V677 HydrophobicContact CB-CG2 3.56Å; F674-V677 WeakPolarHBondContact O-CG2 3.26Å; A675-V677 VanDerWaalsContact C-N 3.26Å; A675-V677 WeakPolarHBondContact O-CG2 3.43Å; A675-V677 PolarHBondContact O-N 3.27Å; V677-H681 HydrophobicContact CG1-CB 3.31Å; V677-K682 HydrophobicContact CG1-CG 4.09Å
678E77.4Confident89.5Confident39 Ų3931.6 Ų31.618%0.18215%0.147CC..  trans-100.1161.6174.6-65.8-154.1131.700111.1V200 N201 S680 H681 K682V200-E678 WeakPolarHBondContact CA-OE1 3.45Å; V200-E678 HydrophobicContact CB-CG 4.05Å; V200-E678 WeakPolarHBondContact CB-OE1 3.21Å; V200-E678 HydrophobicContact CG1-CG 3.71Å; V200-E678 WeakPolarHBondContact CG1-OE1 3.27Å; N201-E678 PolarHBondContact N-OE1 3.12Å; E678-S680 VanDerWaalsContact C-N 3.26Å; E678-S680 PolarHBondContact O-N 2.81Å; E678-H681 WeakPolarHBondContact CB-ND1 3.28Å; E678-H681 PolarHBondContact N-ND1 2.88Å; E678-H681 VanDerWaalsContact N-ND1 3.19Å; E678-H681 WeakPolarHBondContact O-CB 3.38Å; E678-H681 PolarHBondContact O-N 2.89Å; E678-K682 PolarHBondContact O-N 3.45Å
679P78.6Confident89.5Confident16 Ų1631.6 Ų31.610%0.10415%0.147CC..Hα-helixtrans-48-47.1174.3-25.930000113.4I235 H681 K682 S683 N704I235-P679 HydrophobicContact CD1-CG 4.49Å; P679-H681 VanDerWaalsContact C-N 3.28Å; P679-H681 PolarHBondContact O-N 3.12Å; P679-K682 WeakPolarHBondContact O-CB 3.38Å; P679-K682 PolarHBondContact O-N 3.42Å; P679-K682 VanDerWaalsContact O-N 3.12Å; P679-S683 PolarHBondContact O-N 2.9Å; P679-N704 HydrophobicContact CB-CB 4.37Å; P679-N704 WeakPolarHBondContact CB-O 3.46Å; P679-N704 HydrophobicContact CG-CB 3.81Å
680S82.9Confident89.6Confident29 Ų2931 Ų3120%0.20314%0.141CC..Hα-helixtrans-66.3-26.6-179.1620000113.6E678 S683 K684E678-S680 VanDerWaalsContact C-N 3.26Å; E678-S680 PolarHBondContact O-N 2.81Å; S680-S683 PolarHBondContact O-OG 3.48Å; S680-K684 WeakPolarHBondContact O-CB 3.28Å; S680-K684 VanDerWaalsContact O-CG 3.25Å; S680-K684 WeakPolarHBondContact O-CG 3.49Å; S680-K684 PolarHBondContact O-N 2.98Å
681H88.7Confident89.6Confident5 Ų528.1 Ų28.12%0.02314%0.14CC..Hα-helixtrans-71.2-37.4174.3-71.4122.5000111.5G653 F656 D657 V677 E678 P679 K684 I685G653-H681 PolarHBondContact O-NE2 2.85Å; F656-H681 AromaticContact CD1-CD2 3.99Å; D657-H681 IonicContact OD1-CD2 3.1Å; D657-H681 IonicContact OD1-NE2 3.69Å; D657-H681 PolarHBondContact OD1-NE2 3.49Å; D657-H681 VanDerWaalsContact OD1-NE2 3.09Å; D657-H681 IonicContact OD2-CE1 3.84Å; D657-H681 PolarHBondContact OD2-CE1 3.39Å; D657-H681 IonicContact OD2-NE2 2.69Å; D657-H681 PolarHBondContact OD2-NE2 3.36Å; V677-H681 HydrophobicContact CG1-CB 3.31Å; E678-H681 WeakPolarHBondContact CB-ND1 3.28Å; E678-H681 PolarHBondContact N-ND1 2.88Å; E678-H681 VanDerWaalsContact N-ND1 3.19Å; E678-H681 WeakPolarHBondContact O-CB 3.38Å; E678-H681 PolarHBondContact O-N 2.89Å; P679-H681 VanDerWaalsContact C-N 3.28Å; P679-H681 PolarHBondContact O-N 3.12Å; H681-K684 PolarHBondContact O-N 3.24Å; H681-I685 WeakPolarHBondContact O-CB 3.41Å; H681-I685 WeakPolarHBondContact O-CD1 3.32Å; H681-I685 WeakPolarHBondContact O-CG1 3.47Å; H681-I685 PolarHBondContact O-N 3.01Å
682K90.7Very high89.5Confident8 Ų832 Ų324%0.03516%0.157CC..Hα-helixtrans-59.9-48.3177.6-69-178.3168.7-155.10110.2D351 I622 V677 E678 P679 I685 V686 M698 D705 A708D351-K682 IonicContact OD1-NZ 2.9Å; D351-K682 PolarHBondContact OD1-NZ 3.27Å; I622-K682 HydrophobicContact CG2-CD 4.39Å; I622-K682 HydrophobicContact CG2-CG 3.98Å; V677-K682 HydrophobicContact CG1-CG 4.09Å; E678-K682 PolarHBondContact O-N 3.45Å; P679-K682 WeakPolarHBondContact O-CB 3.38Å; P679-K682 PolarHBondContact O-N 3.42Å; P679-K682 VanDerWaalsContact O-N 3.12Å; K682-I685 PolarHBondContact O-N 3.06Å; K682-V686 WeakPolarHBondContact O-CG2 3.45Å; K682-V686 PolarHBondContact O-N 3.03Å; K682-M698 HydrophobicContact CB-CE 3.93Å; K682-M698 HydrophobicContact CD-CE 3.56Å; K682-M698 HydrophobicContact CG-CE 3.86Å; K682-D705 WeakPolarHBondContact CD-OD1 3.48Å; K682-D705 VanDerWaalsContact CE-OD1 3.29Å; K682-D705 WeakPolarHBondContact CE-OD1 3.37Å; K682-D705 IonicContact NZ-OD1 3.62Å; K682-D705 PolarHBondContact NZ-OD1 3.36Å; K682-D705 IonicContact NZ-OD2 3.82Å; K682-A708 HydrophobicContact CB-CB 3.49Å; K682-A708 VanDerWaalsContact CB-CB 3.49Å
683S90.4Very high89.3Confident14 Ų1433.3 Ų33.310%0.09817%0.169CC..Hα-helixtrans-66.9-38.2177.458.20000112.9P679 S680 V686 E687P679-S683 PolarHBondContact O-N 2.9Å; S680-S683 PolarHBondContact O-OG 3.48Å; S683-V686 PolarHBondContact O-N 3.25Å; S683-E687 WeakPolarHBondContact O-CB 3.48Å; S683-E687 PolarHBondContact O-N 3.23Å
684K92.1Very high89.2Confident73 Ų7336.6 Ų36.632%0.31718%0.184SC..Hα-helixtrans-62.3-40.7173-79.1174.7-176.4173.70113.2D657 S680 H681 V686 E687 F688D657-K684 IonicContact OD1-NZ 3.63Å; S680-K684 WeakPolarHBondContact O-CB 3.28Å; S680-K684 VanDerWaalsContact O-CG 3.25Å; S680-K684 WeakPolarHBondContact O-CG 3.49Å; S680-K684 PolarHBondContact O-N 2.98Å; H681-K684 PolarHBondContact O-N 3.24Å; K684-V686 VanDerWaalsContact C-N 3.34Å; K684-E687 WeakPolarHBondContact O-CB 3.44Å; K684-E687 PolarHBondContact O-N 3.43Å; K684-F688 WeakPolarHBondContact O-CD2 3.41Å; K684-F688 PolarHBondContact O-N 3.26Å
685I94.5Very high89.2Confident1 Ų137.1 Ų37.11%0.00519%0.187CC..Hα-helixtrans-62.2-46.8177.7-71161.9000109.5I622 V668 F674 H681 K682 E687 F688 L689I622-I685 HydrophobicContact CD1-CD1 4.14Å; V668-I685 HydrophobicContact CG1-CG2 4.27Å; F674-I685 HydrophobicContact CB-CD1 4.25Å; F674-I685 HydrophobicContact CD1-CD1 4.01Å; F674-I685 HydrophobicContact CD2-CD1 3.73Å; F674-I685 HydrophobicContact CE1-CD1 4.25Å; F674-I685 HydrophobicContact CE2-CD1 3.98Å; F674-I685 HydrophobicContact CE2-CG1 4.34Å; F674-I685 HydrophobicContact CE2-CG2 4.4Å; F674-I685 HydrophobicContact CG-CD1 3.74Å; F674-I685 HydrophobicContact CZ-CD1 4.23Å; F674-I685 HydrophobicContact CZ-CG1 4.32Å; H681-I685 WeakPolarHBondContact O-CB 3.41Å; H681-I685 WeakPolarHBondContact O-CD1 3.32Å; H681-I685 WeakPolarHBondContact O-CG1 3.47Å; H681-I685 PolarHBondContact O-N 3.01Å; K682-I685 PolarHBondContact O-N 3.06Å; I685-E687 PolarHBondContact O-N 3.22Å; I685-F688 PolarHBondContact O-N 3.41Å; I685-L689 HydrophobicContact CG2-CD1 4.05Å; I685-L689 WeakPolarHBondContact O-CG 3.28Å; I685-L689 PolarHBondContact O-N 2.81Å
686V94.1Very high89.6Confident0 Ų037.1 Ų37.10%019%0.187CC..Hα-helixtrans-57.3-48.9174.8173.60000110.5K682 S683 K684 F688 L689 Q690 T696 M698 K711 A712K682-V686 WeakPolarHBondContact O-CG2 3.45Å; K682-V686 PolarHBondContact O-N 3.03Å; S683-V686 PolarHBondContact O-N 3.25Å; K684-V686 VanDerWaalsContact C-N 3.34Å; V686-F688 VanDerWaalsContact C-N 3.33Å; V686-F688 PolarHBondContact O-N 2.74Å; V686-L689 WeakPolarHBondContact O-CB 3.32Å; V686-L689 PolarHBondContact O-N 2.94Å; V686-Q690 HydrophobicContact CG1-CG 4.23Å; V686-Q690 VanDerWaalsContact O-CG 3.28Å; V686-Q690 WeakPolarHBondContact O-CG 3.46Å; V686-Q690 PolarHBondContact O-N 2.8Å; V686-T696 HydrophobicContact CG2-CG2 4.3Å; V686-M698 HydrophobicContact CG2-CB 4.42Å; V686-K711 HydrophobicContact CG1-CB 4.4Å; V686-K711 HydrophobicContact CG1-CG 4.17Å; V686-A712 HydrophobicContact CG1-CB 4.04Å; V686-A712 HydrophobicContact CG2-CB 4.43Å
687E92.5Very high90.4Very high100 Ų10032.1 Ų32.147%0.46717%0.168SC..Hα-helixtrans-57-42.2178.3-172.6177.716600113.4S683 K684 I685 Q690 G691 K711S683-E687 WeakPolarHBondContact O-CB 3.48Å; S683-E687 PolarHBondContact O-N 3.23Å; K684-E687 WeakPolarHBondContact O-CB 3.44Å; K684-E687 PolarHBondContact O-N 3.43Å; I685-E687 PolarHBondContact O-N 3.22Å; E687-Q690 PolarHBondContact O-N 2.67Å; E687-G691 PolarHBondContact O-N 3.34Å; E687-K711 VanDerWaalsContact CD-NZ 3.27Å; E687-K711 IonicContact OE2-NZ 3.68Å; E687-K711 PolarHBondContact OE2-NZ 3.04Å
688F94.9Very high90.9Very high38 Ų3831.7 Ų31.717%0.16717%0.166CC..Hα-helixtrans-67.4-36.9176.8-72.7-49.8000112.5F656 Q664 R665 V668 K684 I685 V686 G691 F692F656-F688 HydrophobicContact CE1-CE2 4.28Å; F656-F688 AromaticContact CZ-CD2 3.97Å; F656-F688 HydrophobicContact CZ-CD2 3.97Å; F656-F688 AromaticContact CZ-CE2 3.84Å; F656-F688 HydrophobicContact CZ-CE2 3.84Å; Q664-F688 HydrophobicContact CB-CE2 3.84Å; Q664-F688 HydrophobicContact CB-CZ 4Å; R665-F688 HydrophobicContact CB-CD1 3.92Å; R665-F688 HydrophobicContact CB-CE1 4.14Å; R665-F688 HydrophobicContact CG-CD1 4.08Å; V668-F688 HydrophobicContact CB-CB 4.2Å; V668-F688 HydrophobicContact CG1-CB 4.1Å; V668-F688 HydrophobicContact CG2-CB 4.13Å; V668-F688 HydrophobicContact CG2-CD2 4.08Å; V668-F688 HydrophobicContact CG2-CG 4.5Å; K684-F688 WeakPolarHBondContact O-CD2 3.41Å; K684-F688 PolarHBondContact O-N 3.26Å; I685-F688 PolarHBondContact O-N 3.41Å; V686-F688 VanDerWaalsContact C-N 3.33Å; V686-F688 PolarHBondContact O-N 2.74Å; F688-G691 PolarHBondContact O-N 2.74Å; F688-F692 WeakPolarHBondContact O-CD2 3.07Å
689L94.7Very high91.7Very high0 Ų029.9 Ų29.90%016%0.157CC..Hα-helixtrans-65-45174.8-67.8168.7000111.2V347 I620 V668 I685 V686 G691 F692 E694 T696V347-L689 HydrophobicContact CB-CD1 4.44Å; V347-L689 HydrophobicContact CG1-CD1 3.87Å; V347-L689 HydrophobicContact CG1-CD2 4.36Å; V347-L689 HydrophobicContact CG2-CD2 4.26Å; I620-L689 HydrophobicContact CD1-CD1 4.37Å; V668-L689 HydrophobicContact CG1-CD1 4.41Å; V668-L689 HydrophobicContact CG1-CD2 3.44Å; V668-L689 VanDerWaalsContact CG1-CD2 3.44Å; V668-L689 HydrophobicContact CG1-CG 3.55Å; I685-L689 HydrophobicContact CG2-CD1 4.05Å; I685-L689 WeakPolarHBondContact O-CG 3.28Å; I685-L689 PolarHBondContact O-N 2.81Å; V686-L689 WeakPolarHBondContact O-CB 3.32Å; V686-L689 PolarHBondContact O-N 2.94Å; L689-G691 VanDerWaalsContact C-N 3.25Å; L689-G691 PolarHBondContact O-N 2.81Å; L689-F692 WeakPolarHBondContact O-CA 3.48Å; L689-F692 WeakPolarHBondContact O-CB 3.04Å; L689-F692 PolarHBondContact O-N 3.36Å; L689-E694 HydrophobicContact CB-CB 4.41Å; L689-E694 WeakPolarHBondContact O-CB 3.35Å; L689-E694 PolarHBondContact O-N 3.41Å; L689-T696 VanDerWaalsContact CB-OG1 3.31Å; L689-T696 WeakPolarHBondContact CB-OG1 3.44Å; L689-T696 HydrophobicContact CD1-CG2 3.69Å
690Q91.1Very high92.1Very high40 Ų4029.1 Ų29.119%0.18715%0.152CC..Hα-helixtrans-58.2-39.3173.7-68.6179.3-45.800111.7V686 E687 F692 D693 K711 E713V686-Q690 HydrophobicContact CG1-CG 4.23Å; V686-Q690 VanDerWaalsContact O-CG 3.28Å; V686-Q690 WeakPolarHBondContact O-CG 3.46Å; V686-Q690 PolarHBondContact O-N 2.8Å; E687-Q690 PolarHBondContact O-N 2.67Å; Q690-F692 PolarHBondContact O-N 3.19Å; Q690-D693 WeakPolarHBondContact O-CA 3.38Å; Q690-D693 PolarHBondContact O-N 2.93Å; Q690-K711 PolarHBondContact NE2-O 2.66Å; Q690-E713 VanDerWaalsContact CG-OE1 3.23Å; Q690-E713 WeakPolarHBondContact CG-OE1 3.44Å; Q690-E713 PolarHBondContact NE2-OE1 3.19Å
691G90.4Very high92.1Very high40 Ų4028.8 Ų28.841%0.41215%0.148SC..THydrogen-bonded Turntrans-62.4-8.1173.400000115.1R665 E687 F688 L689R665-G691 PolarHBondContact NH2-O 3.2Å; E687-G691 PolarHBondContact O-N 3.34Å; F688-G691 PolarHBondContact O-N 2.74Å; L689-G691 VanDerWaalsContact C-N 3.25Å; L689-G691 PolarHBondContact O-N 2.81Å
692F91.8Very high91.7Very high81 Ų8128.7 Ų28.736%0.35515%0.148SC..THydrogen-bonded Turntrans-107.312.3170.2-71-72.6000113.4R665 T669 F688 L689 Q690 E694R665-F692 HydrophobicContact CG-CE2 3.43Å; R665-F692 VanDerWaalsContact CG-CE2 3.43Å; R665-F692 HydrophobicContact CG-CZ 3.52Å; R665-F692 WeakPolarHBondContact O-CE2 3.33Å; T669-F692 HydrophobicContact CG2-CD2 3.89Å; T669-F692 HydrophobicContact CG2-CE1 4.11Å; T669-F692 HydrophobicContact CG2-CE2 3.35Å; T669-F692 HydrophobicContact CG2-CG 4.46Å; T669-F692 HydrophobicContact CG2-CZ 3.46Å; T669-F692 VanDerWaalsContact CG2-CZ 3.46Å; F688-F692 WeakPolarHBondContact O-CD2 3.07Å; L689-F692 WeakPolarHBondContact O-CA 3.48Å; L689-F692 WeakPolarHBondContact O-CB 3.04Å; L689-F692 PolarHBondContact O-N 3.36Å; Q690-F692 PolarHBondContact O-N 3.19Å; F692-E694 HydrophobicContact CB-CG 4.01Å; F692-E694 PolarHBondContact O-N 3.12Å
693D90.3Very high91.3Very high99 Ų9928.3 Ų28.353%0.52915%0.147SC..THydrogen-bonded Turntrans59.924-172.9-50.7-71.4000113.4Q690 K823Q690-D693 WeakPolarHBondContact O-CA 3.38Å; Q690-D693 PolarHBondContact O-N 2.93Å; D693-K823 WeakPolarHBondContact OD1-CE 3.41Å; D693-K823 IonicContact OD1-NZ 3.42Å; D693-K823 PolarHBondContact OD1-NZ 3.14Å; D693-K823 IonicContact OD2-NZ 2.9Å; D693-K823 PolarHBondContact OD2-NZ 3.12Å
694E93.3Very high90.9Very high69 Ų6928 Ų2832%0.32214%0.144SC..  trans-84.3117.4177.8-63.7-84.3-146.800110S346 V347 L689 F692 T696S346-E694 WeakPolarHBondContact CB-OE2 3.21Å; S346-E694 WeakPolarHBondContact OG-CA 3.18Å; S346-E694 WeakPolarHBondContact OG-CB 3.32Å; S346-E694 PolarHBondContact OG-OE2 3.34Å; V347-E694 HydrophobicContact CG2-CB 4.21Å; V347-E694 HydrophobicContact CG2-CG 4.47Å; L689-E694 HydrophobicContact CB-CB 4.41Å; L689-E694 WeakPolarHBondContact O-CB 3.35Å; L689-E694 PolarHBondContact O-N 3.41Å; F692-E694 HydrophobicContact CB-CG 4.01Å; F692-E694 PolarHBondContact O-N 3.12Å; E694-T696 PolarHBondContact O-N 3.12Å; E694-T696 VanDerWaalsContact O-N 3.14Å; E694-T696 PolarHBondContact O-OG1 3.48Å; E694-T696 VanDerWaalsContact O-OG1 3.04Å
695I94.2Very high90.7Very high14 Ų1424.5 Ų24.57%0.07213%0.129CC..  trans-68.6111.8173.3-54.8-59.2000108.9P248 T341 C344 S346 V347 E713 A822P248-I695 HydrophobicContact CG-CD1 3.93Å; T341-I695 HydrophobicContact CG2-CG2 3.87Å; C344-I695 HydrophobicContact CB-CG1 4.14Å; C344-I695 HydrophobicContact CB-CG2 4.43Å; C344-I695 WeakPolarHBondContact O-CB 3.4Å; S346-I695 PolarHBondContact N-O 3.07Å; S346-I695 PolarHBondContact OG-N 3.37Å; S346-I695 PolarHBondContact OG-O 3.06Å; V347-I695 PolarHBondContact N-O 2.91Å; I695-E713 HydrophobicContact CD1-CG 4.12Å; I695-E713 HydrophobicContact CG2-CB 4.03Å; I695-E713 HydrophobicContact CG2-CG 4.2Å; I695-A822 HydrophobicContact CD1-CB 4.06Å; I695-A822 HydrophobicContact CG1-CB 4.33Å
696T95.2Very high90.3Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-108.1125.2-169.5-58.40000110.4V347 V686 L689 E694 E713 I714V347-T696 WeakPolarHBondContact O-CA 3.48Å; V686-T696 HydrophobicContact CG2-CG2 4.3Å; L689-T696 VanDerWaalsContact CB-OG1 3.31Å; L689-T696 WeakPolarHBondContact CB-OG1 3.44Å; L689-T696 HydrophobicContact CD1-CG2 3.69Å; E694-T696 PolarHBondContact O-N 3.12Å; E694-T696 VanDerWaalsContact O-N 3.14Å; E694-T696 PolarHBondContact O-OG1 3.48Å; E694-T696 VanDerWaalsContact O-OG1 3.04Å; T696-E713 WeakPolarHBondContact CA-OE2 3.17Å; T696-E713 PolarHBondContact N-OE2 3.29Å; T696-E713 PolarHBondContact O-N 3.02Å; T696-I714 PolarHBondContact O-N 3.38Å
697A96.2Very high90Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-96131.816500000109.5T345 V347 I348 C349 I714 I716T345-A697 HydrophobicContact CG2-CB 3.7Å; V347-A697 PolarHBondContact O-N 2.79Å; I348-A697 CarbonylContact C-O 3.46Å; I348-A697 WeakPolarHBondContact CA-O 3.41Å; I348-A697 HydrophobicContact CG1-CB 4.29Å; C349-A697 PolarHBondContact N-O 2.92Å; A697-I714 CarbonylContact C-O 3.54Å; A697-I714 VanDerWaalsContact CA-O 3.23Å; A697-I714 WeakPolarHBondContact CA-O 3.45Å; A697-I714 HydrophobicContact CB-CB 4.2Å; A697-I716 HydrophobicContact CB-CD1 3.96Å
698M95.4Very high90Very high0 Ų019.8 Ų19.80%011%0.107CC..EExtended strand (participates in β ladder)trans-115.7130.3176.9179.463.2-174.800109.3C349 I622 K682 V686 A708 L709 A712 I714 I716C349-M698 HydrophobicContact CB-SD 3.45Å; C349-M698 WeakPolarHBondContact CB-SD 3.41Å; C349-M698 CarbonylContact O-C 3.58Å; C349-M698 WeakPolarHBondContact O-CA 3.47Å; I622-M698 HydrophobicContact CD1-CE 4.15Å; I622-M698 HydrophobicContact CD1-SD 4.12Å; K682-M698 HydrophobicContact CB-CE 3.93Å; K682-M698 HydrophobicContact CD-CE 3.56Å; K682-M698 HydrophobicContact CG-CE 3.86Å; V686-M698 HydrophobicContact CG2-CB 4.42Å; M698-A708 HydrophobicContact CE-CB 4.15Å; M698-A708 HydrophobicContact CG-CB 4.02Å; M698-L709 HydrophobicContact CB-CD2 4.49Å; M698-L709 HydrophobicContact CG-CD2 4.28Å; M698-L709 WeakPolarHBondContact O-CD2 3.42Å; M698-A712 HydrophobicContact CB-CB 3.64Å; M698-I714 PolarHBondContact N-O 3.48Å; M698-I716 PolarHBondContact O-N 3.03Å
699T93.3Very high89.8Confident0 Ų018 Ų180%010%0.099CC..EExtended strand (participates in β ladder)trans-102.2146.9172.287.90000111.9I348 C349 S350 D351 T355 I716 I741I348-T699 HydrophobicContact CG2-CG2 4.48Å; C349-T699 PolarHBondContact O-N 2.62Å; S350-T699 VanDerWaalsContact CA-OG1 3.27Å; S350-T699 WeakPolarHBondContact CA-OG1 3.49Å; S350-T699 PolarHBondContact OG-OG1 2.62Å; D351-T699 PolarHBondContact N-OG1 2.92Å; T355-T699 HydrophobicContact CG2-CG2 4.41Å; T699-I716 CarbonylContact C-O 3.57Å; T699-I716 WeakPolarHBondContact CA-O 3.28Å; T699-I716 HydrophobicContact CG2-CB 4.13Å; T699-I716 HydrophobicContact CG2-CD1 4.45Å; T699-I716 HydrophobicContact CG2-CG2 4.4Å; T699-I741 HydrophobicContact CG2-CD1 3.58Å
700G87.6Confident89.5Confident0 Ų019.7 Ų19.70%011%0.107CC..EExtended strand (participates in β ladder)trans-166.3159.5177.900000112.9D705 I716 A717 M718G700-D705 VanDerWaalsContact CA-OD2 3.22Å; G700-D705 WeakPolarHBondContact CA-OD2 3.3Å; G700-I716 PolarHBondContact N-O 3.29Å; G700-A717 VanDerWaalsContact O-CA 3.28Å; G700-A717 WeakPolarHBondContact O-CA 3.34Å; G700-M718 PolarHBondContact O-N 2.76Å
701D83.3Confident89.5Confident22 Ų2220.2 Ų20.212%0.11811%0.108CC..  trans-128.1-22.3179.670.1-30.1000112.5D705 M718 G721 T722 A725D701-D705 PolarHBondContact N-OD2 3.14Å; D701-D705 VanDerWaalsContact N-OD2 3.12Å; D701-M718 HydrophobicContact CB-CB 3.84Å; D701-M718 HydrophobicContact CB-CG 3.66Å; D701-G721 WeakPolarHBondContact O-CA 3.5Å; D701-T722 WeakPolarHBondContact O-CB 3.43Å; D701-T722 WeakPolarHBondContact O-CG2 3.44Å; D701-T722 PolarHBondContact O-N 3.26Å; D701-T722 PolarHBondContact O-OG1 2.85Å; D701-A725 WeakPolarHBondContact O-CB 3.36Å
702G80.2Confident89.6Confident3 Ų318.5 Ų18.53%0.0319%0.09CC..SBendtrans-100.6170.5-176.500000114.9N704 D705G702-N704 WeakPolarHBondContact CA-OD1 2.81Å; G702-N704 PolarHBondContact O-N 2.87Å; G702-D705 PolarHBondContact N-OD2 3.47Å; G702-D705 PolarHBondContact O-N 2.81Å; G702-D705 VanDerWaalsContact O-N 3.16Å
703V82.4Confident89.6Confident0 Ų016.6 Ų16.60%08%0.083CC..G310 helixtrans-66.4-30.5174.8177.60000110.7L119 Y122 I179 I232 I235 D705 A706 V724L119-V703 HydrophobicContact CD2-CG1 3.73Å; Y122-V703 HydrophobicContact CE2-CG2 4.46Å; I179-V703 HydrophobicContact CB-CB 4.41Å; I179-V703 HydrophobicContact CB-CG2 4.13Å; I179-V703 HydrophobicContact CG2-CG2 4.4Å; I179-V703 VanDerWaalsContact O-CB 3.29Å; I179-V703 WeakPolarHBondContact O-CB 3.35Å; I179-V703 PolarHBondContact O-N 3.12Å; I232-V703 HydrophobicContact CG1-CG1 4.34Å; I235-V703 HydrophobicContact CD1-CG1 4.4Å; I235-V703 HydrophobicContact CG2-CG1 4.07Å; V703-D705 PolarHBondContact O-N 3.3Å; V703-D705 VanDerWaalsContact O-N 3.16Å; V703-A706 WeakPolarHBondContact O-CB 3.15Å; V703-A706 PolarHBondContact O-N 3Å; V703-A706 VanDerWaalsContact O-N 3.17Å; V703-V724 HydrophobicContact CB-CG1 4.41Å; V703-V724 HydrophobicContact CG1-CG1 4.17Å; V703-V724 HydrophobicContact CG2-CB 3.99Å; V703-V724 HydrophobicContact CG2-CG1 4.15Å; V703-V724 HydrophobicContact CG2-CG2 4.17Å
704N81.7Confident89.8Confident8 Ų811.9 Ų11.94%0.0436%0.057CC..G310 helixtrans-58.9-20.3172.355.1-76.1000114.8I179 L180 P679 G702I179-N704 PolarHBondContact O-N 2.91Å; I179-N704 PolarHBondContact O-OD1 2.85Å; I179-N704 VanDerWaalsContact O-OD1 3.13Å; L180-N704 WeakPolarHBondContact O-CB 3.42Å; P679-N704 HydrophobicContact CB-CB 4.37Å; P679-N704 WeakPolarHBondContact CB-O 3.46Å; P679-N704 HydrophobicContact CG-CB 3.81Å; G702-N704 WeakPolarHBondContact CA-OD1 2.81Å; G702-N704 PolarHBondContact O-N 2.87Å
705D87.7Confident89.8Confident0 Ų08.6 Ų8.60%04%0.042CC..G310 helixtrans-93.9-16.9-179-57.9-34.8000112.1K682 G700 D701 G702 V703 P707 A708 L709K682-D705 WeakPolarHBondContact CD-OD1 3.48Å; K682-D705 VanDerWaalsContact CE-OD1 3.29Å; K682-D705 WeakPolarHBondContact CE-OD1 3.37Å; K682-D705 IonicContact NZ-OD1 3.62Å; K682-D705 PolarHBondContact NZ-OD1 3.36Å; K682-D705 IonicContact NZ-OD2 3.82Å; G700-D705 VanDerWaalsContact CA-OD2 3.22Å; G700-D705 WeakPolarHBondContact CA-OD2 3.3Å; D701-D705 PolarHBondContact N-OD2 3.14Å; D701-D705 VanDerWaalsContact N-OD2 3.12Å; G702-D705 PolarHBondContact N-OD2 3.47Å; G702-D705 PolarHBondContact O-N 2.81Å; G702-D705 VanDerWaalsContact O-N 3.16Å; V703-D705 PolarHBondContact O-N 3.3Å; V703-D705 VanDerWaalsContact O-N 3.16Å; D705-P707 VanDerWaalsContact C-CD 3.5Å; D705-A708 CarbonylContact O-C 3.59Å; D705-A708 PolarHBondContact O-N 3.32Å; D705-L709 HydrophobicContact CB-CD1 3.95Å; D705-L709 HydrophobicContact CB-CG 4.13Å; D705-L709 WeakPolarHBondContact O-CB 3.35Å; D705-L709 VanDerWaalsContact O-CG 3.31Å; D705-L709 WeakPolarHBondContact O-CG 3.48Å; D705-L709 PolarHBondContact O-N 3.46Å
706A87.1Confident89.8Confident0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-56.5-40.3-172.200000114.4M239 V703 A708 L709 K710 V724 A728M239-A706 HydrophobicContact CE-CB 3.88Å; M239-A706 HydrophobicContact CG-CB 4.34Å; M239-A706 HydrophobicContact SD-CB 3.38Å; M239-A706 WeakPolarHBondContact SD-CB 3.48Å; V703-A706 WeakPolarHBondContact O-CB 3.15Å; V703-A706 PolarHBondContact O-N 3Å; V703-A706 VanDerWaalsContact O-N 3.17Å; A706-A708 PolarHBondContact O-N 2.99Å; A706-L709 PolarHBondContact O-N 3.09Å; A706-K710 WeakPolarHBondContact O-CB 3.26Å; A706-K710 PolarHBondContact O-N 3.1Å; A706-V724 HydrophobicContact CB-CG1 3.79Å; A706-A728 HydrophobicContact CB-CB 3.88Å
707P87.8Confident89.7Confident1 Ų18 Ų81%0.0064%0.039CC..Hα-helixtrans-63.1-40.8174.2-22.634.5000112.7I235 E238 M239 D705 K711I235-P707 HydrophobicContact CB-CG 4.41Å; I235-P707 HydrophobicContact CG2-CG 3.77Å; E238-P707 HydrophobicContact CB-CB 4.2Å; E238-P707 HydrophobicContact CB-CG 4.36Å; M239-P707 HydrophobicContact CG-CB 4.44Å; M239-P707 HydrophobicContact CG-CG 4.13Å; D705-P707 VanDerWaalsContact C-CD 3.5Å; P707-K711 WeakPolarHBondContact O-CB 3.4Å; P707-K711 PolarHBondContact O-N 3.07Å
708A91.3Very high89.4Confident0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-75-35.5-179.600000112.3K682 M698 D705 A706 K711 A712K682-A708 HydrophobicContact CB-CB 3.49Å; K682-A708 VanDerWaalsContact CB-CB 3.49Å; M698-A708 HydrophobicContact CE-CB 4.15Å; M698-A708 HydrophobicContact CG-CB 4.02Å; D705-A708 CarbonylContact O-C 3.59Å; D705-A708 PolarHBondContact O-N 3.32Å; A706-A708 PolarHBondContact O-N 2.99Å; A708-K711 PolarHBondContact O-N 3.44Å; A708-A712 WeakPolarHBondContact O-CB 3.27Å; A708-A712 PolarHBondContact O-N 3.34Å
709L91.6Very high88.9Confident0 Ų09.1 Ų9.10%05%0.05CC..Hα-helixtrans-61.1-49.3173.5-71.5172.1000110.6M698 D705 A706 K711 G715 A725 A728M698-L709 HydrophobicContact CB-CD2 4.49Å; M698-L709 HydrophobicContact CG-CD2 4.28Å; M698-L709 WeakPolarHBondContact O-CD2 3.42Å; D705-L709 HydrophobicContact CB-CD1 3.95Å; D705-L709 HydrophobicContact CB-CG 4.13Å; D705-L709 WeakPolarHBondContact O-CB 3.35Å; D705-L709 VanDerWaalsContact O-CG 3.31Å; D705-L709 WeakPolarHBondContact O-CG 3.48Å; D705-L709 PolarHBondContact O-N 3.46Å; A706-L709 PolarHBondContact O-N 3.09Å; L709-K711 VanDerWaalsContact C-N 3.33Å; L709-K711 PolarHBondContact O-N 2.94Å; L709-G715 WeakPolarHBondContact O-CA 3.36Å; L709-G715 PolarHBondContact O-N 3.35Å; L709-A725 HydrophobicContact CD1-CB 3.92Å; L709-A728 CarbonylContact C-O 3.55Å; L709-A728 HydrophobicContact CB-CB 4.29Å
710K88.3Confident88.3Confident37 Ų3713.2 Ų13.216%0.1618%0.079CC..Hα-helixtrans-68.2-31.5179.2-171.1175.4179.1-172.40112.9M239 T242 A706 A728M239-K710 HydrophobicContact CB-CD 4.39Å; M239-K710 WeakPolarHBondContact O-CD 3.49Å; M239-K710 WeakPolarHBondContact O-CE 3.28Å; M239-K710 PolarHBondContact O-NZ 3.04Å; T242-K710 HydrophobicContact CG2-CG 4.36Å; T242-K710 WeakPolarHBondContact O-CE 3.43Å; A706-K710 WeakPolarHBondContact O-CB 3.26Å; A706-K710 PolarHBondContact O-N 3.1Å; K710-A728 PolarHBondContact N-O 3.04Å
711K90.4Very high87.7Confident50 Ų5013.5 Ų13.522%0.2178%0.082CC..Hα-helixtrans-77.9-32.9-179.7-169.4166.3-169.2168.20113T242 V686 E687 Q690 P707 A708 L709T242-K711 HydrophobicContact CG2-CB 3.81Å; T242-K711 HydrophobicContact CG2-CG 4.11Å; V686-K711 HydrophobicContact CG1-CB 4.4Å; V686-K711 HydrophobicContact CG1-CG 4.17Å; E687-K711 VanDerWaalsContact CD-NZ 3.27Å; E687-K711 IonicContact OE2-NZ 3.68Å; E687-K711 PolarHBondContact OE2-NZ 3.04Å; Q690-K711 PolarHBondContact NE2-O 2.66Å; P707-K711 WeakPolarHBondContact O-CB 3.4Å; P707-K711 PolarHBondContact O-N 3.07Å; A708-K711 PolarHBondContact O-N 3.44Å; L709-K711 VanDerWaalsContact C-N 3.33Å; L709-K711 PolarHBondContact O-N 2.94Å
712A92.9Very high87.6Confident5 Ų513.8 Ų13.84%0.0419%0.085CC..SBendtrans-64.9151.4177.200000110.5V686 M698 A708 I714V686-A712 HydrophobicContact CG1-CB 4.04Å; V686-A712 HydrophobicContact CG2-CB 4.43Å; M698-A712 HydrophobicContact CB-CB 3.64Å; A708-A712 WeakPolarHBondContact O-CB 3.27Å; A708-A712 PolarHBondContact O-N 3.34Å; A712-I714 PolarHBondContact O-N 3.42Å; A712-I714 VanDerWaalsContact O-N 3.16Å
713E91.8Very high87.6Confident41 Ų4115.5 Ų15.519%0.19210%0.098CC..SBendtrans-59.2-28.2171.7-69.472.6-153.200111.2T341 Q690 I695 T696T341-E713 HydrophobicContact CG2-CB 3.91Å; Q690-E713 VanDerWaalsContact CG-OE1 3.23Å; Q690-E713 WeakPolarHBondContact CG-OE1 3.44Å; Q690-E713 PolarHBondContact NE2-OE1 3.19Å; I695-E713 HydrophobicContact CD1-CG 4.12Å; I695-E713 HydrophobicContact CG2-CB 4.03Å; I695-E713 HydrophobicContact CG2-CG 4.2Å; T696-E713 WeakPolarHBondContact CA-OE2 3.17Å; T696-E713 PolarHBondContact N-OE2 3.29Å; T696-E713 PolarHBondContact O-N 3.02Å
714I93.5Very high87.5Confident0 Ų015.5 Ų15.50%010%0.098CC..EExtended strand (participates in β ladder)trans-14195.7178-41.6-179.4000110.3T341 L342 T696 A697 M698 A712 I716 E730T341-I714 HydrophobicContact CG2-CD1 3.91Å; T341-I714 HydrophobicContact CG2-CG1 3.82Å; L342-I714 HydrophobicContact CB-CD1 4.02Å; L342-I714 HydrophobicContact CD2-CD1 3.78Å; L342-I714 HydrophobicContact CD2-CG2 3.93Å; L342-I714 HydrophobicContact CG-CD1 3.67Å; L342-I714 HydrophobicContact CG-CG2 4.13Å; T696-I714 PolarHBondContact O-N 3.38Å; A697-I714 CarbonylContact C-O 3.54Å; A697-I714 VanDerWaalsContact CA-O 3.23Å; A697-I714 WeakPolarHBondContact CA-O 3.45Å; A697-I714 HydrophobicContact CB-CB 4.2Å; M698-I714 PolarHBondContact N-O 3.48Å; A712-I714 PolarHBondContact O-N 3.42Å; A712-I714 VanDerWaalsContact O-N 3.16Å; I714-I716 HydrophobicContact CG2-CD1 4.48Å; I714-I716 HydrophobicContact CG2-CG1 4.02Å; I714-E730 HydrophobicContact CG2-CB 4.49Å
715G94.2Very high87.7Confident0 Ų015.1 Ų15.10%010%0.096CC..EExtended strand (participates in β ladder)trans-69.5129.316100000111L709 S729 E730 M731L709-G715 WeakPolarHBondContact O-CA 3.36Å; L709-G715 PolarHBondContact O-N 3.35Å; G715-S729 WeakPolarHBondContact O-CB 3.36Å; G715-E730 VanDerWaalsContact CA-OE2 3.31Å; G715-E730 WeakPolarHBondContact CA-OE2 3.26Å; G715-E730 PolarHBondContact N-OE2 3.37Å; G715-E730 PolarHBondContact O-N 3.47Å; G715-M731 PolarHBondContact O-N 3.18Å; G715-M731 VanDerWaalsContact O-N 3.07Å
716I95.2Very high87.6Confident0 Ų017.9 Ų17.90%011%0.108CC..EExtended strand (participates in β ladder)trans-121.6110.1178.8-55179.6000109A697 M698 T699 G700 I714 M731 L733 I741A697-I716 HydrophobicContact CB-CD1 3.96Å; M698-I716 PolarHBondContact O-N 3.03Å; T699-I716 CarbonylContact C-O 3.57Å; T699-I716 WeakPolarHBondContact CA-O 3.28Å; T699-I716 HydrophobicContact CG2-CB 4.13Å; T699-I716 HydrophobicContact CG2-CD1 4.45Å; T699-I716 HydrophobicContact CG2-CG2 4.4Å; G700-I716 PolarHBondContact N-O 3.29Å; I714-I716 HydrophobicContact CG2-CD1 4.48Å; I714-I716 HydrophobicContact CG2-CG1 4.02Å; I716-M731 CarbonylContact C-O 3.58Å; I716-M731 VanDerWaalsContact CA-O 3.3Å; I716-M731 WeakPolarHBondContact CA-O 3.43Å; I716-M731 HydrophobicContact CB-CE 4.36Å; I716-M731 HydrophobicContact CD1-CE 3.47Å; I716-M731 VanDerWaalsContact CD1-CE 3.47Å; I716-M731 HydrophobicContact CG1-CE 3.66Å; I716-M731 HydrophobicContact CG2-CE 3.84Å; I716-L733 HydrophobicContact CG2-CD1 3.79Å; I716-L733 HydrophobicContact CG2-CD2 4.13Å; I716-L733 HydrophobicContact CG2-CG 3.69Å; I716-I741 HydrophobicContact CD1-CD1 4.09Å; I716-I741 HydrophobicContact CD1-CG1 4.15Å; I716-I741 HydrophobicContact CD1-CG2 3.71Å; I716-I741 HydrophobicContact CG2-CD1 4.24Å; I716-I741 HydrophobicContact CG2-CG1 4.28Å
717A92.3Very high87.3Confident0 Ų018.4 Ų18.40%011%0.112CC..EExtended strand (participates in β ladder)trans-94.6153.2176.300000113.2G700 A725 K726 S729 M731 V732 L733G700-A717 VanDerWaalsContact O-CA 3.28Å; G700-A717 WeakPolarHBondContact O-CA 3.34Å; A717-A725 HydrophobicContact CB-CB 4.29Å; A717-A725 WeakPolarHBondContact CB-O 3.29Å; A717-K726 VanDerWaalsContact CB-CA 3.41Å; A717-K726 HydrophobicContact CB-CB 4.28Å; A717-K726 HydrophobicContact CB-CG 3.96Å; A717-S729 WeakPolarHBondContact CB-OG 3.33Å; A717-M731 PolarHBondContact N-O 2.94Å; A717-V732 HydrophobicContact CB-CG2 4.34Å; A717-V732 CarbonylContact O-C 3.59Å; A717-V732 WeakPolarHBondContact O-CA 3.44Å; A717-L733 PolarHBondContact O-N 2.88Å
718M89.2Confident87.2Confident1 Ų118.6 Ų18.61%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-78.1141.5171.5-53.5-50.7-74.300110.8G354 T355 G700 D701 S720 G721 K726 L733 D736G354-M718 WeakPolarHBondContact O-CE 3.37Å; T355-M718 HydrophobicContact CG2-CE 4.04Å; T355-M718 HydrophobicContact CG2-SD 3.9Å; T355-M718 PolarHBondContact OG1-SD 3.09Å; G700-M718 PolarHBondContact O-N 2.76Å; D701-M718 HydrophobicContact CB-CB 3.84Å; D701-M718 HydrophobicContact CB-CG 3.66Å; M718-S720 VanDerWaalsContact C-N 3.31Å; M718-S720 PolarHBondContact O-N 3.19Å; M718-G721 WeakPolarHBondContact O-CA 3.32Å; M718-G721 PolarHBondContact O-N 3.41Å; M718-K726 WeakPolarHBondContact O-CE 3.3Å; M718-L733 HydrophobicContact SD-CD1 4.04Å; M718-D736 WeakPolarHBondContact CB-OD1 3.47Å; M718-D736 VanDerWaalsContact CE-C 3.41Å; M718-D736 HydrophobicContact CE-CB 3.44Å; M718-D736 VanDerWaalsContact CE-CB 3.44Å; M718-D736 VanDerWaalsContact CE-O 3.26Å; M718-D736 WeakPolarHBondContact CE-O 3.47Å
719G85.1Confident87.2Confident23 Ų2318.8 Ų18.824%0.23712%0.115CC..THydrogen-bonded Turntrans-65.9-30.8175.900000112.9G721 K726 L733 D736G719-G721 VanDerWaalsContact C-N 3.32Å; G719-K726 WeakPolarHBondContact O-CE 3.48Å; G719-K726 PolarHBondContact O-NZ 3.47Å; G719-L733 WeakPolarHBondContact CA-O 3.28Å; G719-L733 PolarHBondContact N-O 2.93Å; G719-D736 WeakPolarHBondContact CA-OD1 3.45Å; G719-D736 PolarHBondContact N-OD1 3.4Å
720S80Confident87.1Confident86 Ų8619.4 Ų19.460%0.60112%0.118SC*.THydrogen-bonded Turntrans-83.3-8166.3610000114M718 D736M718-S720 VanDerWaalsContact C-N 3.31Å; M718-S720 PolarHBondContact O-N 3.19Å; S720-D736 WeakPolarHBondContact CB-OD2 3.28Å; S720-D736 PolarHBondContact N-OD1 3.31Å; S720-D736 PolarHBondContact N-OD2 3.07Å; S720-D736 PolarHBondContact OG-OD1 2.8Å; S720-D736 PolarHBondContact OG-OD2 3.01Å
721G77Confident87.3Confident7 Ų717.6 Ų17.67%0.07211%0.11CC..SBendtrans-65.5168.3-179.900000114D701 M718 G719 K726D701-G721 WeakPolarHBondContact O-CA 3.5Å; M718-G721 WeakPolarHBondContact O-CA 3.32Å; M718-G721 PolarHBondContact O-N 3.41Å; G719-G721 VanDerWaalsContact C-N 3.32Å; G721-K726 WeakPolarHBondContact O-CE 3.36Å; G721-K726 PolarHBondContact O-NZ 3.25Å
722T80.7Confident87.4Confident28 Ų2815.9 Ų15.917%0.17210%0.104CC..  trans-58.7150.5178.259.50000111.8Y122 D701 V724 A725 K726Y122-T722 WeakPolarHBondContact OH-CB 3.36Å; D701-T722 WeakPolarHBondContact O-CB 3.43Å; D701-T722 WeakPolarHBondContact O-CG2 3.44Å; D701-T722 PolarHBondContact O-N 3.26Å; D701-T722 PolarHBondContact O-OG1 2.85Å; T722-V724 PolarHBondContact O-N 3.49Å; T722-A725 PolarHBondContact O-N 3.18Å; T722-A725 WeakPolarHBondContact OG1-CB 3.44Å; T722-A725 PolarHBondContact OG1-N 3.13Å; T722-K726 WeakPolarHBondContact O-CG 3.49Å; T722-K726 PolarHBondContact O-N 3.19Å; T722-K726 VanDerWaalsContact O-N 3.14Å
723A79.1Confident87.4Confident38 Ų3815.6 Ų15.631%0.31410%0.102SC..Hα-helixtrans-57.7-3717600000111.3A118 K726 S727A118-A723 HydrophobicContact CB-CB 4.38Å; A723-K726 PolarHBondContact O-N 3.17Å; A723-S727 VanDerWaalsContact O-CB 3.25Å; A723-S727 WeakPolarHBondContact O-CB 3.49Å; A723-S727 PolarHBondContact O-N 3.15Å; A723-S727 PolarHBondContact O-OG 2.86Å
724V81.5Confident87.2Confident0 Ų016.2 Ų16.20%011%0.114CC..Hα-helixtrans-60.6-52.6176.5172.90000111.4A118 L119 Y122 V703 A706 T722 K726 S727 A728A118-V724 HydrophobicContact CB-CG2 4.26Å; L119-V724 HydrophobicContact CB-CG2 4.35Å; L119-V724 HydrophobicContact CD2-CB 4.23Å; L119-V724 HydrophobicContact CD2-CG1 3.52Å; L119-V724 HydrophobicContact CD2-CG2 3.62Å; L119-V724 HydrophobicContact CG-CG1 3.89Å; L119-V724 HydrophobicContact CG-CG2 3.82Å; Y122-V724 HydrophobicContact CD2-CG2 3.85Å; Y122-V724 HydrophobicContact CE2-CB 4.48Å; Y122-V724 HydrophobicContact CE2-CG2 3.48Å; Y122-V724 VanDerWaalsContact CE2-CG2 3.48Å; V703-V724 HydrophobicContact CB-CG1 4.41Å; V703-V724 HydrophobicContact CG1-CG1 4.17Å; V703-V724 HydrophobicContact CG2-CB 3.99Å; V703-V724 HydrophobicContact CG2-CG1 4.15Å; V703-V724 HydrophobicContact CG2-CG2 4.17Å; A706-V724 HydrophobicContact CB-CG1 3.79Å; T722-V724 PolarHBondContact O-N 3.49Å; V724-K726 VanDerWaalsContact C-N 3.32Å; V724-K726 PolarHBondContact O-N 2.9Å; V724-S727 WeakPolarHBondContact CA-OG 3.49Å; V724-S727 PolarHBondContact O-N 3.38Å; V724-S727 PolarHBondContact O-OG 3.33Å; V724-A728 WeakPolarHBondContact O-CB 3.33Å; V724-A728 PolarHBondContact O-N 2.96Å
725A85.6Confident86.9Confident0 Ų018.6 Ų18.60%013%0.126CC..Hα-helixtrans-57.1-47178.200000111.4D701 L709 A717 T722 S727 A728 S729D701-A725 WeakPolarHBondContact O-CB 3.36Å; L709-A725 HydrophobicContact CD1-CB 3.92Å; A717-A725 HydrophobicContact CB-CB 4.29Å; A717-A725 WeakPolarHBondContact CB-O 3.29Å; T722-A725 PolarHBondContact O-N 3.18Å; T722-A725 WeakPolarHBondContact OG1-CB 3.44Å; T722-A725 PolarHBondContact OG1-N 3.13Å; A725-S727 PolarHBondContact O-N 3.14Å; A725-A728 PolarHBondContact O-N 3.3Å; A725-S729 WeakPolarHBondContact O-CB 3.32Å; A725-S729 PolarHBondContact O-N 3.32Å; A725-S729 PolarHBondContact O-OG 2.94Å
726K86.2Confident86.5Confident58 Ų5819.7 Ų19.725%0.25213%0.132SC..Hα-helixtrans-59.1-30177-69.4170.7179.7155.10113.7R334 A717 M718 G719 G721 T722 A723 V724 S729 V732R334-K726 WeakPolarHBondContact CD-O 3.44Å; R334-K726 PolarHBondContact NE-O 3.5Å; R334-K726 VanDerWaalsContact NH1-C 3.35Å; R334-K726 PolarHBondContact NH1-O 3.43Å; A717-K726 VanDerWaalsContact CB-CA 3.41Å; A717-K726 HydrophobicContact CB-CB 4.28Å; A717-K726 HydrophobicContact CB-CG 3.96Å; M718-K726 WeakPolarHBondContact O-CE 3.3Å; G719-K726 WeakPolarHBondContact O-CE 3.48Å; G719-K726 PolarHBondContact O-NZ 3.47Å; G721-K726 WeakPolarHBondContact O-CE 3.36Å; G721-K726 PolarHBondContact O-NZ 3.25Å; T722-K726 WeakPolarHBondContact O-CG 3.49Å; T722-K726 PolarHBondContact O-N 3.19Å; T722-K726 VanDerWaalsContact O-N 3.14Å; A723-K726 PolarHBondContact O-N 3.17Å; V724-K726 VanDerWaalsContact C-N 3.32Å; V724-K726 PolarHBondContact O-N 2.9Å; K726-S729 VanDerWaalsContact C-OG 3.28Å; K726-S729 WeakPolarHBondContact CA-OG 3.24Å; K726-S729 PolarHBondContact O-OG 2.99Å; K726-V732 HydrophobicContact CB-CG2 4.06Å; K726-V732 HydrophobicContact CD-CG1 4.38Å; K726-V732 HydrophobicContact CG-CG1 3.99Å; K726-V732 HydrophobicContact CG-CG2 4.13Å
727S80.9Confident86Confident12 Ų1220.7 Ų20.78%0.08414%0.138CC..Hα-helixtrans-86.7-32.8-177.278.50000112.9A115 A723 V724 A725 S729A115-S727 VanDerWaalsContact CA-CB 3.45Å; A115-S727 VanDerWaalsContact CA-OG 3.23Å; A115-S727 WeakPolarHBondContact CA-OG 3.28Å; A115-S727 WeakPolarHBondContact CB-O 3.33Å; A115-S727 WeakPolarHBondContact CB-OG 3.42Å; A115-S727 PolarHBondContact O-OG 3.33Å; A115-S727 VanDerWaalsContact O-OG 3.09Å; A723-S727 VanDerWaalsContact O-CB 3.25Å; A723-S727 WeakPolarHBondContact O-CB 3.49Å; A723-S727 PolarHBondContact O-N 3.15Å; A723-S727 PolarHBondContact O-OG 2.86Å; V724-S727 WeakPolarHBondContact CA-OG 3.49Å; V724-S727 PolarHBondContact O-N 3.38Å; V724-S727 PolarHBondContact O-OG 3.33Å; A725-S727 PolarHBondContact O-N 3.14Å; S727-S729 PolarHBondContact O-N 2.92Å
728A85.1Confident85.9Confident5 Ų520.7 Ų20.74%0.04114%0.138CC..SBendtrans-77.72.1171.900000113.8M239 A706 L709 K710 V724 A725M239-A728 HydrophobicContact CE-CB 3.79Å; A706-A728 HydrophobicContact CB-CB 3.88Å; L709-A728 CarbonylContact C-O 3.55Å; L709-A728 HydrophobicContact CB-CB 4.29Å; K710-A728 PolarHBondContact N-O 3.04Å; V724-A728 WeakPolarHBondContact O-CB 3.33Å; V724-A728 PolarHBondContact O-N 2.96Å; A725-A728 PolarHBondContact O-N 3.3Å
729S90.1Very high86Confident4 Ų422.3 Ų22.33%0.02815%0.149CC..  trans-115.7143.1-174.267.60000112.1R334 G715 A717 A725 K726 S727 M731R334-S729 WeakPolarHBondContact CD-O 3.21Å; G715-S729 WeakPolarHBondContact O-CB 3.36Å; A717-S729 WeakPolarHBondContact CB-OG 3.33Å; A725-S729 WeakPolarHBondContact O-CB 3.32Å; A725-S729 PolarHBondContact O-N 3.32Å; A725-S729 PolarHBondContact O-OG 2.94Å; K726-S729 VanDerWaalsContact C-OG 3.28Å; K726-S729 WeakPolarHBondContact CA-OG 3.24Å; K726-S729 PolarHBondContact O-OG 2.99Å; S727-S729 PolarHBondContact O-N 2.92Å; S729-M731 PolarHBondContact OG-O 3.37Å
730E90.1Very high86.4Confident12 Ų1221.5 Ų21.56%0.05614%0.14CC..SBendtrans-74.8-25.6173-71.366.5-144.800112.7Q244 R334 S338 I714 G715Q244-E730 PolarHBondContact NE2-OE1 2.93Å; R334-E730 PolarHBondContact N-O 2.76Å; S338-E730 VanDerWaalsContact OG-CB 3.31Å; S338-E730 WeakPolarHBondContact OG-CB 3.31Å; S338-E730 WeakPolarHBondContact OG-CG 3.27Å; I714-E730 HydrophobicContact CG2-CB 4.49Å; G715-E730 VanDerWaalsContact CA-OE2 3.31Å; G715-E730 WeakPolarHBondContact CA-OE2 3.26Å; G715-E730 PolarHBondContact N-OE2 3.37Å; G715-E730 PolarHBondContact O-N 3.47Å
731M92.5Very high87Confident0 Ų017.4 Ų17.40%011%0.111CC..EExtended strand (participates in β ladder)trans-135142.9179.9-176.5173.863.400111.9A331 I332 V333 L342 G715 I716 A717 S729 L733 A744A331-M731 HydrophobicContact CB-SD 3.8Å; I332-M731 CarbonylContact O-C 3.06Å; I332-M731 WeakPolarHBondContact O-CA 3.29Å; V333-M731 HydrophobicContact CG2-CG 4.32Å; V333-M731 HydrophobicContact CG2-SD 4.42Å; L342-M731 HydrophobicContact CD1-CE 4.26Å; L342-M731 HydrophobicContact CD1-SD 3.75Å; L342-M731 HydrophobicContact CD2-CE 3.87Å; L342-M731 HydrophobicContact CD2-SD 4.45Å; G715-M731 PolarHBondContact O-N 3.18Å; G715-M731 VanDerWaalsContact O-N 3.07Å; I716-M731 CarbonylContact C-O 3.58Å; I716-M731 VanDerWaalsContact CA-O 3.3Å; I716-M731 WeakPolarHBondContact CA-O 3.43Å; I716-M731 HydrophobicContact CB-CE 4.36Å; I716-M731 HydrophobicContact CD1-CE 3.47Å; I716-M731 VanDerWaalsContact CD1-CE 3.47Å; I716-M731 HydrophobicContact CG1-CE 3.66Å; I716-M731 HydrophobicContact CG2-CE 3.84Å; A717-M731 PolarHBondContact N-O 2.94Å; S729-M731 PolarHBondContact OG-O 3.37Å; M731-L733 HydrophobicContact CE-CD2 4.14Å; M731-A744 HydrophobicContact CE-CB 4.3Å; M731-A744 HydrophobicContact SD-CB 3.85Å
732V92.8Very high87.8Confident13 Ų1317.4 Ų17.48%0.07911%0.11CC..EExtended strand (participates in β ladder)trans-121.1128.9175.3-175.50000110.2I332 R334 A717 K726 A734I332-V732 HydrophobicContact CB-CB 4.31Å; I332-V732 WeakPolarHBondContact CB-O 3.47Å; I332-V732 PolarHBondContact N-O 2.9Å; I332-V732 PolarHBondContact O-N 3.34Å; R334-V732 HydrophobicContact CG-CG2 4.42Å; A717-V732 HydrophobicContact CB-CG2 4.34Å; A717-V732 CarbonylContact O-C 3.59Å; A717-V732 WeakPolarHBondContact O-CA 3.44Å; K726-V732 HydrophobicContact CB-CG2 4.06Å; K726-V732 HydrophobicContact CD-CG1 4.38Å; K726-V732 HydrophobicContact CG-CG1 3.99Å; K726-V732 HydrophobicContact CG-CG2 4.13Å; V732-A734 PolarHBondContact O-N 3.47Å
733L92.4Very high88.4Confident0 Ų017.3 Ų17.30%011%0.111CC..EExtended strand (participates in β ladder)trans-87.7105.5176.8-57.4177.6000110.3N330 I716 A717 M718 G719 M731 D735 D736 I741N330-L733 CarbonylContact O-C 3.24Å; I716-L733 HydrophobicContact CG2-CD1 3.79Å; I716-L733 HydrophobicContact CG2-CD2 4.13Å; I716-L733 HydrophobicContact CG2-CG 3.69Å; A717-L733 PolarHBondContact O-N 2.88Å; M718-L733 HydrophobicContact SD-CD1 4.04Å; G719-L733 WeakPolarHBondContact CA-O 3.28Å; G719-L733 PolarHBondContact N-O 2.93Å; M731-L733 HydrophobicContact CE-CD2 4.14Å; L733-D735 PolarHBondContact O-N 3.24Å; L733-D736 PolarHBondContact O-N 2.95Å; L733-I741 HydrophobicContact CD1-CD1 3.87Å; L733-I741 HydrophobicContact CD1-CG1 3.58Å; L733-I741 HydrophobicContact CD2-CG1 3.95Å; L733-I741 HydrophobicContact CG-CG1 4.34Å
734A88.9Confident89.1Confident54 Ų5415.5 Ų15.545%0.44610%0.097SC..THydrogen-bonded Turntrans-63.6-23.8-176.300000113.8N330 I332 V732N330-A734 HydrophobicContact CB-CB 4.2Å; N330-A734 PolarHBondContact O-N 3.2Å; I332-A734 HydrophobicContact CD1-CB 3.96Å; I332-A734 HydrophobicContact CG1-CB 4.3Å; V732-A734 PolarHBondContact O-N 3.47Å
735D87.3Confident89.8Confident49 Ų4915.6 Ų15.626%0.26210%0.097SC..THydrogen-bonded Turntrans-109.46.2-177.364.4-9.1000114.1N330 L733 N737 S740N330-D735 HydrophobicContact CB-CB 3.95Å; N330-D735 VanDerWaalsContact CB-CG 3.42Å; N330-D735 WeakPolarHBondContact CB-OD2 3.31Å; N330-D735 PolarHBondContact ND2-OD2 3.44Å; L733-D735 PolarHBondContact O-N 3.24Å; D735-N737 HydrophobicContact CB-CB 4.47Å; D735-N737 VanDerWaalsContact CG-CB 3.5Å; D735-N737 PolarHBondContact O-N 3.27Å; D735-N737 WeakPolarHBondContact OD1-CB 3.26Å; D735-N737 PolarHBondContact OD1-N 3.16Å; D735-S740 PolarHBondContact OD1-OG 2.91Å; D735-S740 VanDerWaalsContact OD1-OG 3.05Å; D735-S740 PolarHBondContact OD2-OG 3.4Å
736D85.2Confident90.2Very high24 Ų2419.3 Ų19.313%0.12811%0.114CC..  trans55.330.7-177.8-60-30.8000114.3R602 M718 G719 S720 L733R602-D736 PolarHBondContact NE-O 3.1Å; R602-D736 VanDerWaalsContact NE-O 3.17Å; R602-D736 PolarHBondContact NH2-O 3.09Å; R602-D736 VanDerWaalsContact NH2-O 3.13Å; M718-D736 WeakPolarHBondContact CB-OD1 3.47Å; M718-D736 VanDerWaalsContact CE-C 3.41Å; M718-D736 HydrophobicContact CE-CB 3.44Å; M718-D736 VanDerWaalsContact CE-CB 3.44Å; M718-D736 VanDerWaalsContact CE-O 3.26Å; M718-D736 WeakPolarHBondContact CE-O 3.47Å; G719-D736 WeakPolarHBondContact CA-OD1 3.45Å; G719-D736 PolarHBondContact N-OD1 3.4Å; S720-D736 WeakPolarHBondContact CB-OD2 3.28Å; S720-D736 PolarHBondContact N-OD1 3.31Å; S720-D736 PolarHBondContact N-OD2 3.07Å; S720-D736 PolarHBondContact OG-OD1 2.8Å; S720-D736 PolarHBondContact OG-OD2 3.01Å; L733-D736 PolarHBondContact O-N 2.95Å
737N84.9Confident90.5Very high21 Ų2117.3 Ų17.311%0.11211%0.106CC..  trans-110.3123.9-170.2-158.8-31.1000113.2E604 D735 S739 S740E604-N737 WeakPolarHBondContact CG-ND2 3.19Å; E604-N737 WeakPolarHBondContact CG-OD1 3.37Å; E604-N737 PolarHBondContact OE1-ND2 2.9Å; E604-N737 PolarHBondContact OE1-OD1 3.41Å; D735-N737 HydrophobicContact CB-CB 4.47Å; D735-N737 VanDerWaalsContact CG-CB 3.5Å; D735-N737 PolarHBondContact O-N 3.27Å; D735-N737 WeakPolarHBondContact OD1-CB 3.26Å; D735-N737 PolarHBondContact OD1-N 3.16Å; N737-S739 PolarHBondContact ND2-OG 2.97Å; N737-S739 PolarHBondContact O-N 3.04Å; N737-S739 WeakPolarHBondContact OD1-CB 3.45Å; N737-S739 PolarHBondContact OD1-N 3.49Å; N737-S739 PolarHBondContact OD1-OG 3.26Å; N737-S740 VanDerWaalsContact O-CB 3.31Å; N737-S740 WeakPolarHBondContact O-CB 3.49Å; N737-S740 PolarHBondContact O-N 3.3Å
738F90.2Very high91.1Very high0 Ų016.7 Ų16.70%010%0.102CC..Hα-helixtrans-57.6-31.3173.8-173.6-90.4000113I348 T355 L356 V605 I609 V619 S740 I741 V742I348-F738 HydrophobicContact CD1-CZ 4.35Å; I348-F738 HydrophobicContact CG2-CE2 3.82Å; I348-F738 HydrophobicContact CG2-CZ 4.22Å; T355-F738 HydrophobicContact CG2-CD2 4.44Å; L356-F738 HydrophobicContact CD2-CB 4.33Å; L356-F738 HydrophobicContact CD2-CD2 3.66Å; L356-F738 HydrophobicContact CD2-CE2 4.13Å; L356-F738 HydrophobicContact CD2-CG 3.95Å; V605-F738 HydrophobicContact CG2-CB 3.94Å; I609-F738 HydrophobicContact CD1-CE1 3.79Å; I609-F738 HydrophobicContact CD1-CZ 3.91Å; V619-F738 HydrophobicContact CG1-CE2 4.41Å; V619-F738 HydrophobicContact CG1-CZ 4.15Å; V619-F738 HydrophobicContact CG2-CZ 4.15Å; F738-S740 PolarHBondContact O-N 2.99Å; F738-I741 HydrophobicContact CD2-CD1 3.81Å; F738-I741 HydrophobicContact CE2-CD1 4.17Å; F738-I741 HydrophobicContact CG-CD1 4.44Å; F738-I741 VanDerWaalsContact O-CB 3.3Å; F738-I741 WeakPolarHBondContact O-CB 3.47Å; F738-I741 PolarHBondContact O-N 3.43Å; F738-I741 VanDerWaalsContact O-N 3.09Å; F738-V742 HydrophobicContact CD1-CG2 4.37Å; F738-V742 HydrophobicContact CE1-CG2 4Å; F738-V742 PolarHBondContact O-N 3Å
739S89.7Confident91.4Very high34 Ų3417.2 Ų17.224%0.23810%0.103CC..Hα-helixtrans-63.2-30.6177.963.60000112.9S608 N737 I741 V742 A743S608-S739 WeakPolarHBondContact OG-CA 3.33Å; S608-S739 VanDerWaalsContact OG-CB 3.26Å; S608-S739 WeakPolarHBondContact OG-CB 3.22Å; N737-S739 PolarHBondContact ND2-OG 2.97Å; N737-S739 PolarHBondContact O-N 3.04Å; N737-S739 WeakPolarHBondContact OD1-CB 3.45Å; N737-S739 PolarHBondContact OD1-N 3.49Å; N737-S739 PolarHBondContact OD1-OG 3.26Å; S739-I741 VanDerWaalsContact C-N 3.27Å; S739-I741 PolarHBondContact O-N 3.37Å; S739-V742 PolarHBondContact O-N 2.98Å; S739-V742 VanDerWaalsContact O-N 3.16Å; S739-A743 PolarHBondContact O-N 3.35Å
740S93.3Very high91.4Very high7 Ų717.2 Ų17.25%0.04910%0.103CC..Hα-helixtrans-65.4-30.1175.1-56.50000111.9D735 N737 F738 A743 A744D735-S740 PolarHBondContact OD1-OG 2.91Å; D735-S740 VanDerWaalsContact OD1-OG 3.05Å; D735-S740 PolarHBondContact OD2-OG 3.4Å; N737-S740 VanDerWaalsContact O-CB 3.31Å; N737-S740 WeakPolarHBondContact O-CB 3.49Å; N737-S740 PolarHBondContact O-N 3.3Å; F738-S740 PolarHBondContact O-N 2.99Å; S740-A743 PolarHBondContact O-N 3.04Å; S740-A744 WeakPolarHBondContact O-CB 3.14Å; S740-A744 PolarHBondContact O-N 2.79Å
741I94.3Very high91.4Very high0 Ų016.7 Ų16.70%010%0.101CC..Hα-helixtrans-63.4-47.8171.6-54.8174.9000110I348 T699 I716 L733 F738 S739 A743 A744 V745I348-I741 HydrophobicContact CD1-CG2 4.1Å; T699-I741 HydrophobicContact CG2-CD1 3.58Å; I716-I741 HydrophobicContact CD1-CD1 4.09Å; I716-I741 HydrophobicContact CD1-CG1 4.15Å; I716-I741 HydrophobicContact CD1-CG2 3.71Å; I716-I741 HydrophobicContact CG2-CD1 4.24Å; I716-I741 HydrophobicContact CG2-CG1 4.28Å; L733-I741 HydrophobicContact CD1-CD1 3.87Å; L733-I741 HydrophobicContact CD1-CG1 3.58Å; L733-I741 HydrophobicContact CD2-CG1 3.95Å; L733-I741 HydrophobicContact CG-CG1 4.34Å; F738-I741 HydrophobicContact CD2-CD1 3.81Å; F738-I741 HydrophobicContact CE2-CD1 4.17Å; F738-I741 HydrophobicContact CG-CD1 4.44Å; F738-I741 VanDerWaalsContact O-CB 3.3Å; F738-I741 WeakPolarHBondContact O-CB 3.47Å; F738-I741 PolarHBondContact O-N 3.43Å; F738-I741 VanDerWaalsContact O-N 3.09Å; S739-I741 VanDerWaalsContact C-N 3.27Å; S739-I741 PolarHBondContact O-N 3.37Å; I741-A743 VanDerWaalsContact C-N 3.31Å; I741-A743 PolarHBondContact O-N 2.86Å; I741-A744 CarbonylContact O-C 3.56Å; I741-A744 WeakPolarHBondContact O-CB 3.43Å; I741-A744 PolarHBondContact O-N 2.87Å; I741-A744 VanDerWaalsContact O-N 3.11Å; I741-V745 HydrophobicContact CG2-CG2 4.46Å; I741-V745 WeakPolarHBondContact O-CG2 3.3Å; I741-V745 PolarHBondContact O-N 3.47Å
742V93.5Very high91.2Very high7 Ų717.2 Ų17.24%0.04210%0.103CC..Hα-helixtrans-62.6-41.9-179.6-176.70000110.9L611 C612 F738 S739 A744 V745 E746 M815L611-V742 HydrophobicContact CB-CG1 4.11Å; L611-V742 HydrophobicContact CD1-CG1 4.3Å; C612-V742 VanDerWaalsContact SG-CG2 3.59Å; F738-V742 HydrophobicContact CD1-CG2 4.37Å; F738-V742 HydrophobicContact CE1-CG2 4Å; F738-V742 PolarHBondContact O-N 3Å; S739-V742 PolarHBondContact O-N 2.98Å; S739-V742 VanDerWaalsContact O-N 3.16Å; V742-A744 VanDerWaalsContact C-N 3.3Å; V742-A744 PolarHBondContact O-N 3.37Å; V742-V745 PolarHBondContact O-N 3.29Å; V742-E746 PolarHBondContact O-N 3.49Å; V742-M815 HydrophobicContact CG1-CE 3.75Å
743A92.8Very high91Very high25 Ų2519.1 Ų19.121%0.20711%0.112CC..Hα-helixtrans-64.6-33.8175.300000112.6K329 S739 S740 I741 E747K329-A743 HydrophobicContact CD-CB 4.28Å; S739-A743 PolarHBondContact O-N 3.35Å; S740-A743 PolarHBondContact O-N 3.04Å; I741-A743 VanDerWaalsContact C-N 3.31Å; I741-A743 PolarHBondContact O-N 2.86Å; A743-E747 WeakPolarHBondContact O-CB 3.47Å; A743-E747 PolarHBondContact O-N 3.41Å; A743-E747 VanDerWaalsContact O-N 3.1Å
744A94.4Very high90.8Very high1 Ų119.5 Ų19.51%0.00811%0.114CC..Hα-helixtrans-71.8-37.9174.100000112.1M326 A331 L342 M731 S740 I741 V742 E747 G748M326-A744 WeakPolarHBondContact CE-O 3.38Å; A331-A744 HydrophobicContact CB-CB 4.06Å; L342-A744 HydrophobicContact CD1-CB 4.21Å; M731-A744 HydrophobicContact CE-CB 4.3Å; M731-A744 HydrophobicContact SD-CB 3.85Å; S740-A744 WeakPolarHBondContact O-CB 3.14Å; S740-A744 PolarHBondContact O-N 2.79Å; I741-A744 CarbonylContact O-C 3.56Å; I741-A744 WeakPolarHBondContact O-CB 3.43Å; I741-A744 PolarHBondContact O-N 2.87Å; I741-A744 VanDerWaalsContact O-N 3.11Å; V742-A744 VanDerWaalsContact C-N 3.3Å; V742-A744 PolarHBondContact O-N 3.37Å; A744-E747 PolarHBondContact O-N 3.07Å; A744-G748 PolarHBondContact O-N 3.1Å
745V95.3Very high90.8Very high1 Ų116.9 Ų16.91%0.0069%0.093CC..Hα-helixtrans-63.1-45.1173.5172.10000111L342 I617 I741 V742 E747 G748 R749L342-V745 HydrophobicContact CD2-CG2 4.3Å; I617-V745 HydrophobicContact CD1-CG1 3.71Å; I741-V745 HydrophobicContact CG2-CG2 4.46Å; I741-V745 WeakPolarHBondContact O-CG2 3.3Å; I741-V745 PolarHBondContact O-N 3.47Å; V742-V745 PolarHBondContact O-N 3.29Å; V745-E747 VanDerWaalsContact C-N 3.34Å; V745-E747 PolarHBondContact O-N 3.1Å; V745-G748 PolarHBondContact O-N 3.12Å; V745-R749 WeakPolarHBondContact O-CG 3.48Å; V745-R749 PolarHBondContact O-N 2.95Å
746E93.5Very high90.7Very high78 Ų7815.5 Ų15.536%0.3649%0.085SC..Hα-helixtrans-57.1-47.5174.9-176.6-176.3179.500111.4V742 R749 A750 I814 M815V742-E746 PolarHBondContact O-N 3.49Å; E746-R749 PolarHBondContact O-N 2.81Å; E746-A750 PolarHBondContact O-N 3.5Å; E746-I814 HydrophobicContact CG-CG2 3.91Å; E746-M815 HydrophobicContact CB-CG 4.15Å; E746-M815 HydrophobicContact CB-SD 3.73Å; E746-M815 HydrophobicContact CG-CG 3.86Å; E746-M815 HydrophobicContact CG-SD 4.07Å
747E92.6Very high90.8Very high16 Ų1614.8 Ų14.88%0.0758%0.081CC..Hα-helixtrans-65.1-39.2177.8-165.174.9-147.800111.8R325 M326 K329 A743 A744 V745 A750 I751R325-E747 WeakPolarHBondContact CD-OE1 3.31Å; R325-E747 IonicContact CZ-OE1 3.25Å; R325-E747 IonicContact NE-OE1 3.22Å; R325-E747 PolarHBondContact NE-OE1 3.39Å; R325-E747 IonicContact NH1-OE1 2.67Å; R325-E747 PolarHBondContact NH1-OE1 2.85Å; R325-E747 IonicContact NH2-OE1 3.64Å; M326-E747 HydrophobicContact CE-CB 3.77Å; M326-E747 HydrophobicContact CE-CG 3.96Å; M326-E747 HydrophobicContact CG-CB 4.22Å; M326-E747 HydrophobicContact CG-CG 3.91Å; K329-E747 IonicContact NZ-OE2 2.97Å; K329-E747 PolarHBondContact NZ-OE2 3.48Å; A743-E747 WeakPolarHBondContact O-CB 3.47Å; A743-E747 PolarHBondContact O-N 3.41Å; A743-E747 VanDerWaalsContact O-N 3.1Å; A744-E747 PolarHBondContact O-N 3.07Å; V745-E747 VanDerWaalsContact C-N 3.34Å; V745-E747 PolarHBondContact O-N 3.1Å; E747-A750 WeakPolarHBondContact O-CB 3.4Å; E747-A750 PolarHBondContact O-N 2.84Å; E747-I751 HydrophobicContact CG-CD1 3.94Å; E747-I751 WeakPolarHBondContact O-CB 3.28Å; E747-I751 VanDerWaalsContact O-CG1 3.26Å; E747-I751 WeakPolarHBondContact O-CG1 3.42Å; E747-I751 PolarHBondContact O-N 3.29Å
748G93.3Very high91Very high0 Ų013.8 Ų13.80%08%0.075CC..Hα-helixtrans-62.8-41.6175.900000112.4V339 A744 V745 I751 Y752V339-G748 WeakPolarHBondContact O-CA 3.49Å; A744-G748 PolarHBondContact O-N 3.1Å; V745-G748 PolarHBondContact O-N 3.12Å; G748-I751 PolarHBondContact O-N 3.49Å; G748-Y752 WeakPolarHBondContact O-CB 3.48Å; G748-Y752 PolarHBondContact O-N 3.43Å
749R92.3Very high91Very high15 Ų1513.9 Ų13.96%0.0578%0.076CC..Hα-helixtrans-61.8-43.5173.1-70.8179.7179.3-160.8-0.4111.6G343 A615 V745 E746 Y752 N753 I814 K817G343-R749 VanDerWaalsContact O-CG 3.25Å; G343-R749 WeakPolarHBondContact O-CG 3.41Å; A615-R749 PolarHBondContact O-NH2 3.25Å; V745-R749 WeakPolarHBondContact O-CG 3.48Å; V745-R749 PolarHBondContact O-N 2.95Å; E746-R749 PolarHBondContact O-N 2.81Å; R749-Y752 PolarHBondContact O-N 3.13Å; R749-N753 PolarHBondContact O-N 3.01Å; R749-N753 VanDerWaalsContact O-N 3.08Å; R749-I814 HydrophobicContact CB-CD1 3.94Å; R749-I814 HydrophobicContact CB-CG1 3.59Å; R749-I814 PolarHBondContact NH1-O 3.14Å; R749-K817 PolarHBondContact NH1-O 3.47Å
750A90.1Very high90.7Very high5 Ų512.4 Ų12.44%0.0417%0.065CC..Hα-helixtrans-63.2-45.8177.200000112.1E746 E747 Y752 N753 N754 P810E746-A750 PolarHBondContact O-N 3.5Å; E747-A750 WeakPolarHBondContact O-CB 3.4Å; E747-A750 PolarHBondContact O-N 2.84Å; A750-Y752 PolarHBondContact O-N 3.09Å; A750-N753 PolarHBondContact O-N 3.45Å; A750-N754 PolarHBondContact O-N 3.14Å; A750-N754 VanDerWaalsContact O-N 3.07Å; A750-N754 PolarHBondContact O-OD1 3.49Å; A750-P810 HydrophobicContact CB-CB 3.79Å
751I90.5Very high90.7Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-62.4-44.4178-70.5165.1000110.2L319 G322 M326 V339 E747 G748 N753 N754 M755L319-I751 HydrophobicContact CD2-CG2 4.22Å; G322-I751 VanDerWaalsContact CA-CD1 3.45Å; M326-I751 HydrophobicContact CE-CD1 4.17Å; V339-I751 HydrophobicContact CG1-CB 4.32Å; V339-I751 HydrophobicContact CG1-CD1 3.28Å; V339-I751 HydrophobicContact CG1-CG1 4.38Å; V339-I751 HydrophobicContact CG1-CG2 4.06Å; E747-I751 HydrophobicContact CG-CD1 3.94Å; E747-I751 WeakPolarHBondContact O-CB 3.28Å; E747-I751 VanDerWaalsContact O-CG1 3.26Å; E747-I751 WeakPolarHBondContact O-CG1 3.42Å; E747-I751 PolarHBondContact O-N 3.29Å; G748-I751 PolarHBondContact O-N 3.49Å; I751-N753 PolarHBondContact O-N 3.47Å; I751-N754 PolarHBondContact O-N 3.44Å; I751-M755 HydrophobicContact CG2-CG 4.09Å; I751-M755 HydrophobicContact CG2-SD 3.79Å; I751-M755 WeakPolarHBondContact O-CB 3.31Å; I751-M755 WeakPolarHBondContact O-CG 3.43Å; I751-M755 PolarHBondContact O-N 3.37Å
752Y89.1Confident90.5Very high12 Ų1212.1 Ų12.15%0.0476%0.063CC..Hα-helixtrans-58.5-45.3176.3178.5-98.1000112.4E340 G748 R749 A750 N754 M755 K756 R820E340-Y752 HydrophobicContact CG-CD2 3.61Å; E340-Y752 HydrophobicContact CG-CE2 4.4Å; E340-Y752 HydrophobicContact CG-CG 4.47Å; E340-Y752 WeakPolarHBondContact OE1-CD2 3.4Å; G748-Y752 WeakPolarHBondContact O-CB 3.48Å; G748-Y752 PolarHBondContact O-N 3.43Å; R749-Y752 PolarHBondContact O-N 3.13Å; A750-Y752 PolarHBondContact O-N 3.09Å; Y752-N754 VanDerWaalsContact C-N 3.33Å; Y752-N754 PolarHBondContact O-N 2.81Å; Y752-M755 WeakPolarHBondContact O-CB 3.4Å; Y752-M755 PolarHBondContact O-N 2.89Å; Y752-K756 HydrophobicContact CE1-CD 4.11Å; Y752-K756 WeakPolarHBondContact O-CB 3.33Å; Y752-K756 PolarHBondContact O-N 2.97Å; Y752-R820 VanDerWaalsContact CZ-NE 3.31Å; Y752-R820 WeakPolarHBondContact OH-CD 3.05Å; Y752-R820 VanDerWaalsContact OH-CZ 3.28Å; Y752-R820 PolarHBondContact OH-NE 3.29Å; Y752-R820 PolarHBondContact OH-NH1 2.91Å
753N86.9Confident90.2Very high52 Ų5212.5 Ų12.528%0.2787%0.065SC..Hα-helixtrans-59.2-45.7177.4-78.3-0.9000111.5R749 A750 I751 M755 K756 Q757 I814R749-N753 PolarHBondContact O-N 3.01Å; R749-N753 VanDerWaalsContact O-N 3.08Å; A750-N753 PolarHBondContact O-N 3.45Å; I751-N753 PolarHBondContact O-N 3.47Å; N753-M755 VanDerWaalsContact C-N 3.32Å; N753-M755 PolarHBondContact O-N 2.94Å; N753-K756 PolarHBondContact O-N 3.05Å; N753-Q757 WeakPolarHBondContact O-CB 3.4Å; N753-Q757 PolarHBondContact O-N 3.08Å; N753-I814 VanDerWaalsContact ND2-CD1 3.26Å; N753-I814 WeakPolarHBondContact ND2-CD1 3.23Å
754N89.8Confident90Very high8 Ų811.4 Ų11.44%0.0436%0.055CC..Hα-helixtrans-64.1-39.5177.4-66.40.7000111.5A750 I751 Y752 Q757 F758 G806 N808A750-N754 PolarHBondContact O-N 3.14Å; A750-N754 VanDerWaalsContact O-N 3.07Å; A750-N754 PolarHBondContact O-OD1 3.49Å; I751-N754 PolarHBondContact O-N 3.44Å; Y752-N754 VanDerWaalsContact C-N 3.33Å; Y752-N754 PolarHBondContact O-N 2.81Å; N754-Q757 WeakPolarHBondContact O-CB 3.31Å; N754-Q757 PolarHBondContact O-N 3.34Å; N754-F758 WeakPolarHBondContact O-CD1 3.41Å; N754-F758 PolarHBondContact O-N 3.32Å; N754-G806 PolarHBondContact ND2-O 3.27Å; N754-N808 PolarHBondContact ND2-N 3.06Å; N754-N808 PolarHBondContact ND2-O 3.17Å; N754-N808 WeakPolarHBondContact OD1-CB 3.33Å
755M87.5Confident89.9Confident0 Ų011.3 Ų11.30%06%0.055CC..Hα-helixtrans-62.9-49.6175.8-72.8-177.56500112.8L249 I315 L319 I751 Y752 N753 Q757 F758 I759L249-M755 HydrophobicContact CD2-CE 3.17Å; L249-M755 HydrophobicContact CD2-SD 4.36Å; L249-M755 HydrophobicContact CG-CE 4.47Å; I315-M755 HydrophobicContact CB-CE 4.38Å; I315-M755 HydrophobicContact CD1-CE 4.49Å; I315-M755 HydrophobicContact CG1-CE 4.06Å; I315-M755 HydrophobicContact CG2-CE 3.72Å; L319-M755 HydrophobicContact CD2-CE 4.4Å; L319-M755 HydrophobicContact CD2-SD 3.69Å; L319-M755 HydrophobicContact CG-SD 4.3Å; I751-M755 HydrophobicContact CG2-CG 4.09Å; I751-M755 HydrophobicContact CG2-SD 3.79Å; I751-M755 WeakPolarHBondContact O-CB 3.31Å; I751-M755 WeakPolarHBondContact O-CG 3.43Å; I751-M755 PolarHBondContact O-N 3.37Å; Y752-M755 WeakPolarHBondContact O-CB 3.4Å; Y752-M755 PolarHBondContact O-N 2.89Å; N753-M755 VanDerWaalsContact C-N 3.32Å; N753-M755 PolarHBondContact O-N 2.94Å; M755-Q757 PolarHBondContact O-N 3.05Å; M755-F758 HydrophobicContact CB-CE1 3.93Å; M755-F758 HydrophobicContact CB-CZ 3.9Å; M755-F758 HydrophobicContact CE-CZ 4.38Å; M755-F758 HydrophobicContact CG-CE1 3.59Å; M755-F758 HydrophobicContact CG-CZ 3.61Å; M755-F758 PolarHBondContact O-N 3.08Å; M755-I759 HydrophobicContact CB-CD1 4.45Å; M755-I759 VanDerWaalsContact O-CB 3.32Å; M755-I759 WeakPolarHBondContact O-CB 3.31Å; M755-I759 WeakPolarHBondContact O-CD1 3.4Å; M755-I759 WeakPolarHBondContact O-CG1 3.33Å; M755-I759 PolarHBondContact O-N 2.89Å
756K85.4Confident89.7Confident20 Ų2011.6 Ų11.69%0.0876%0.056CC..Hα-helixtrans-52.4-43.4174.9-153.8-173.8-170.9-1780109.5Y752 N753 R760 E824 L826Y752-K756 HydrophobicContact CE1-CD 4.11Å; Y752-K756 WeakPolarHBondContact O-CB 3.33Å; Y752-K756 PolarHBondContact O-N 2.97Å; N753-K756 PolarHBondContact O-N 3.05Å; K756-R760 VanDerWaalsContact CD-NH2 3.25Å; K756-R760 WeakPolarHBondContact O-CB 3.47Å; K756-R760 WeakPolarHBondContact O-CD 3.38Å; K756-R760 WeakPolarHBondContact O-CG 3.25Å; K756-R760 PolarHBondContact O-N 3.46Å; K756-E824 IonicContact NZ-OE1 3.05Å; K756-E824 PolarHBondContact NZ-OE1 3.46Å; K756-L826 WeakPolarHBondContact CE-O 3.45Å; K756-L826 HydrophobicContact CG-CD2 4.35Å
757Q86.9Confident89.6Confident9 Ų99.9 Ų9.94%0.0425%0.051CC..Hα-helixtrans-65.3-48.4-177.9-160.565.415.200113.8N753 N754 M755 R760 Y761 S913N753-Q757 WeakPolarHBondContact O-CB 3.4Å; N753-Q757 PolarHBondContact O-N 3.08Å; N754-Q757 WeakPolarHBondContact O-CB 3.31Å; N754-Q757 PolarHBondContact O-N 3.34Å; M755-Q757 PolarHBondContact O-N 3.05Å; Q757-R760 PolarHBondContact O-N 3.39Å; Q757-Y761 PolarHBondContact O-N 3.15Å; Q757-S913 VanDerWaalsContact CD-O 3.24Å; Q757-S913 WeakPolarHBondContact CG-O 3.4Å; Q757-S913 VanDerWaalsContact NE2-C 3.28Å; Q757-S913 VanDerWaalsContact NE2-CA 3.29Å; Q757-S913 PolarHBondContact NE2-O 2.86Å
758F90.8Very high89.5Confident0 Ų09.1 Ų9.10%05%0.047CC..Hα-helixtrans-74.5-31.1178.370.7-117.9000113L311 V314 I315 C318 N754 M755 R760 Y761 L762 A802 L805L311-F758 HydrophobicContact CD1-CD2 4.36Å; L311-F758 HydrophobicContact CD1-CE2 4.05Å; V314-F758 HydrophobicContact CB-CE2 4.46Å; V314-F758 HydrophobicContact CG1-CD1 4.35Å; V314-F758 HydrophobicContact CG1-CD2 3.69Å; V314-F758 HydrophobicContact CG1-CE1 4.27Å; V314-F758 HydrophobicContact CG1-CE2 3.7Å; V314-F758 HydrophobicContact CG1-CG 4.08Å; V314-F758 HydrophobicContact CG1-CZ 4Å; I315-F758 HydrophobicContact CG1-CE2 3.75Å; I315-F758 HydrophobicContact CG1-CZ 3.94Å; C318-F758 HydrophobicContact CB-CE1 3.84Å; C318-F758 HydrophobicContact CB-CZ 4.2Å; N754-F758 WeakPolarHBondContact O-CD1 3.41Å; N754-F758 PolarHBondContact O-N 3.32Å; M755-F758 HydrophobicContact CB-CE1 3.93Å; M755-F758 HydrophobicContact CB-CZ 3.9Å; M755-F758 HydrophobicContact CE-CZ 4.38Å; M755-F758 HydrophobicContact CG-CE1 3.59Å; M755-F758 HydrophobicContact CG-CZ 3.61Å; M755-F758 PolarHBondContact O-N 3.08Å; F758-R760 VanDerWaalsContact C-N 3.27Å; F758-R760 PolarHBondContact O-N 2.8Å; F758-Y761 WeakPolarHBondContact O-CB 3.4Å; F758-Y761 PolarHBondContact O-N 3.12Å; F758-L762 WeakPolarHBondContact O-CG 3.41Å; F758-L762 PolarHBondContact O-N 3.46Å; F758-A802 HydrophobicContact CB-CB 4.14Å; F758-A802 VanDerWaalsContact CB-O 3.31Å; F758-A802 WeakPolarHBondContact CB-O 3.36Å; F758-L805 HydrophobicContact CB-CB 3.92Å; F758-L805 HydrophobicContact CB-CD1 4.11Å
759I88.8Confident89.5Confident1 Ų19.1 Ų9.11%0.0055%0.047CC..Hα-helixtrans-59.1-45.9173.1-73.7164000109L249 L311 M755 L762 I763 L826L249-I759 HydrophobicContact CD1-CD1 4.26Å; L311-I759 HydrophobicContact CD1-CG1 3.71Å; M755-I759 HydrophobicContact CB-CD1 4.45Å; M755-I759 VanDerWaalsContact O-CB 3.32Å; M755-I759 WeakPolarHBondContact O-CB 3.31Å; M755-I759 WeakPolarHBondContact O-CD1 3.4Å; M755-I759 WeakPolarHBondContact O-CG1 3.33Å; M755-I759 PolarHBondContact O-N 2.89Å; I759-L762 PolarHBondContact O-N 2.94Å; I759-I763 HydrophobicContact CG2-CD1 3.54Å; I759-I763 HydrophobicContact CG2-CG1 4.43Å; I759-I763 WeakPolarHBondContact O-CB 3.3Å; I759-I763 WeakPolarHBondContact O-CD1 3.3Å; I759-I763 WeakPolarHBondContact O-CG1 3.27Å; I759-I763 PolarHBondContact O-N 3Å; I759-L826 HydrophobicContact CG2-CD1 4.48Å
760R84.8Confident89.5Confident3 Ų39.4 Ų9.41%0.0115%0.051CC..Hα-helixtrans-63.7-40.9177.3-71159176.2-177.9-17.8112.5K756 Q757 F758 S764 L831 Y835 E916K756-R760 VanDerWaalsContact CD-NH2 3.25Å; K756-R760 WeakPolarHBondContact O-CB 3.47Å; K756-R760 WeakPolarHBondContact O-CD 3.38Å; K756-R760 WeakPolarHBondContact O-CG 3.25Å; K756-R760 PolarHBondContact O-N 3.46Å; Q757-R760 PolarHBondContact O-N 3.39Å; F758-R760 VanDerWaalsContact C-N 3.27Å; F758-R760 PolarHBondContact O-N 2.8Å; R760-S764 VanDerWaalsContact O-CB 3.26Å; R760-S764 WeakPolarHBondContact O-CB 3.45Å; R760-S764 PolarHBondContact O-N 2.92Å; R760-L831 VanDerWaalsContact CZ-CD2 3.44Å; R760-L831 VanDerWaalsContact NE-CD2 3.34Å; R760-Y835 HydrophobicContact CB-CE2 3.73Å; R760-Y835 WeakPolarHBondContact CB-OH 3.28Å; R760-Y835 WeakPolarHBondContact CD-OH 3.45Å; R760-Y835 HydrophobicContact CG-CE2 3.72Å; R760-E916 IonicContact CZ-OE1 2.75Å; R760-E916 IonicContact CZ-OE2 3.61Å; R760-E916 IonicContact NH1-OE1 2.77Å; R760-E916 IonicContact NH1-OE2 3.58Å; R760-E916 PolarHBondContact NH1-OE2 3.23Å; R760-E916 IonicContact NH2-OE1 2.73Å; R760-E916 PolarHBondContact NH2-OE1 2.94Å; R760-E916 IonicContact NH2-OE2 2.93Å; R760-E916 PolarHBondContact NH2-OE2 2.94Å
761Y91.4Very high89.6Confident0 Ų010.9 Ų10.90%06%0.059CC..Hα-helixtrans-59-53.9175.8162.6-114.3000111.3Q757 F758 I763 S764 S765 D798 P801 A802 L805 E906 N909 A910Q757-Y761 PolarHBondContact O-N 3.15Å; F758-Y761 WeakPolarHBondContact O-CB 3.4Å; F758-Y761 PolarHBondContact O-N 3.12Å; Y761-I763 PolarHBondContact O-N 3.42Å; Y761-S764 WeakPolarHBondContact O-CB 3.31Å; Y761-S764 PolarHBondContact O-N 3.41Å; Y761-S764 VanDerWaalsContact O-N 3.16Å; Y761-S765 PolarHBondContact O-N 2.91Å; Y761-S765 VanDerWaalsContact O-N 3.1Å; Y761-D798 HydrophobicContact CE1-CB 4.11Å; Y761-D798 WeakPolarHBondContact OH-CA 3.48Å; Y761-D798 PolarHBondContact OH-OD1 3.35Å; Y761-P801 HydrophobicContact CE1-CB 4.11Å; Y761-A802 HydrophobicContact CD1-CB 3.9Å; Y761-A802 HydrophobicContact CE1-CB 3.99Å; Y761-L805 HydrophobicContact CD1-CD1 3.98Å; Y761-L805 HydrophobicContact CG-CD1 4.03Å; Y761-E906 HydrophobicContact CE2-CB 4.29Å; Y761-E906 WeakPolarHBondContact CE2-O 3.32Å; Y761-E906 VanDerWaalsContact CE2-OE2 3.25Å; Y761-E906 WeakPolarHBondContact CE2-OE2 3.24Å; Y761-N909 HydrophobicContact CD2-CB 4.44Å; Y761-N909 HydrophobicContact CE2-CB 4.34Å; Y761-A910 HydrophobicContact CD2-CB 4.4Å; Y761-A910 HydrophobicContact CE2-CB 3.9Å
762L91.1Very high89.7Confident2 Ų210.9 Ų10.91%0.016%0.059CC..Hα-helixtrans-59.2-48.2179-68.5175.5000111.4L311 V314 F758 I759 S764 S765 N766 D798 A802L311-L762 HydrophobicContact CB-CD1 4.24Å; L311-L762 HydrophobicContact CD1-CD1 3.83Å; V314-L762 HydrophobicContact CG2-CD1 4.48Å; F758-L762 WeakPolarHBondContact O-CG 3.41Å; F758-L762 PolarHBondContact O-N 3.46Å; I759-L762 PolarHBondContact O-N 2.94Å; L762-S764 VanDerWaalsContact C-N 3.29Å; L762-S764 PolarHBondContact O-N 3.31Å; L762-S765 VanDerWaalsContact O-CB 3.31Å; L762-S765 WeakPolarHBondContact O-CB 3.3Å; L762-S765 PolarHBondContact O-N 3.08Å; L762-S765 VanDerWaalsContact O-N 3.09Å; L762-N766 PolarHBondContact O-N 3.38Å; L762-N766 PolarHBondContact O-OD1 2.94Å; L762-D798 HydrophobicContact CD2-CB 3.77Å; L762-A802 HydrophobicContact CD1-CB 3.97Å; L762-A802 HydrophobicContact CD2-CB 3.82Å; L762-A802 HydrophobicContact CG-CB 3.87Å
763I87.3Confident89.7Confident15 Ų1510.9 Ų10.98%0.0776%0.06CC..Hα-helixtrans-62-37.7178.8-66.4168.1000111.6F256 I759 Y761 S765 N766 V767 I827F256-I763 HydrophobicContact CD2-CD1 4.35Å; F256-I763 HydrophobicContact CE1-CD1 3.98Å; F256-I763 HydrophobicContact CE1-CG1 4.27Å; F256-I763 HydrophobicContact CE2-CD1 3.65Å; F256-I763 HydrophobicContact CE2-CG1 4.29Å; F256-I763 HydrophobicContact CE2-CG2 4.42Å; F256-I763 HydrophobicContact CZ-CD1 3.44Å; F256-I763 VanDerWaalsContact CZ-CD1 3.44Å; F256-I763 HydrophobicContact CZ-CG1 3.69Å; F256-I763 HydrophobicContact CZ-CG2 4.29Å; I759-I763 HydrophobicContact CG2-CD1 3.54Å; I759-I763 HydrophobicContact CG2-CG1 4.43Å; I759-I763 WeakPolarHBondContact O-CB 3.3Å; I759-I763 WeakPolarHBondContact O-CD1 3.3Å; I759-I763 WeakPolarHBondContact O-CG1 3.27Å; I759-I763 PolarHBondContact O-N 3Å; Y761-I763 PolarHBondContact O-N 3.42Å; I763-S765 VanDerWaalsContact C-N 3.28Å; I763-S765 PolarHBondContact O-N 3.35Å; I763-N766 PolarHBondContact O-N 3.25Å; I763-V767 HydrophobicContact CG2-CG2 4.33Å; I763-V767 VanDerWaalsContact O-CG2 3.29Å; I763-V767 WeakPolarHBondContact O-CG2 3.27Å; I763-V767 PolarHBondContact O-N 3.35Å; I763-I827 HydrophobicContact CD1-CD1 4.05Å; I763-I827 HydrophobicContact CG2-CD1 4.09Å
764S89Confident89.8Confident1 Ų111.7 Ų11.71%0.0076%0.061CC..Hα-helixtrans-62.2-38.3176.8-1750000111.8R760 Y761 L762 G768R760-S764 VanDerWaalsContact O-CB 3.26Å; R760-S764 WeakPolarHBondContact O-CB 3.45Å; R760-S764 PolarHBondContact O-N 2.92Å; Y761-S764 WeakPolarHBondContact O-CB 3.31Å; Y761-S764 PolarHBondContact O-N 3.41Å; Y761-S764 VanDerWaalsContact O-N 3.16Å; L762-S764 VanDerWaalsContact C-N 3.29Å; L762-S764 PolarHBondContact O-N 3.31Å; S764-G768 PolarHBondContact O-N 3.01Å
765S91.4Very high89.9Confident0 Ų013.7 Ų13.70%07%0.072CC..Hα-helixtrans-62.8-55.1174.4-173.60000110.5Y761 L762 I763 V767 G768 E769 D798 E906Y761-S765 PolarHBondContact O-N 2.91Å; Y761-S765 VanDerWaalsContact O-N 3.1Å; L762-S765 VanDerWaalsContact O-CB 3.31Å; L762-S765 WeakPolarHBondContact O-CB 3.3Å; L762-S765 PolarHBondContact O-N 3.08Å; L762-S765 VanDerWaalsContact O-N 3.09Å; I763-S765 VanDerWaalsContact C-N 3.28Å; I763-S765 PolarHBondContact O-N 3.35Å; S765-V767 VanDerWaalsContact C-N 3.29Å; S765-V767 PolarHBondContact O-N 3.02Å; S765-G768 CarbonylContact O-C 3.57Å; S765-G768 VanDerWaalsContact O-CA 3.28Å; S765-G768 WeakPolarHBondContact O-CA 3.46Å; S765-G768 PolarHBondContact O-N 3Å; S765-E769 PolarHBondContact O-N 2.94Å; S765-D798 VanDerWaalsContact CB-OD2 3.31Å; S765-D798 WeakPolarHBondContact CB-OD2 3.34Å; S765-D798 PolarHBondContact OG-OD2 2.95Å; S765-E906 VanDerWaalsContact CB-CD 3.46Å; S765-E906 WeakPolarHBondContact OG-CG 3.31Å
766N91Very high89.9Confident6 Ų614 Ų143%0.0327%0.074CC..Hα-helixtrans-57-37.1178.5-71.196.1000113.4A305 I307 L762 I763 G768 E769 V770 N794A305-N766 PolarHBondContact O-ND2 2.9Å; I307-N766 PolarHBondContact O-ND2 3.32Å; L762-N766 PolarHBondContact O-N 3.38Å; L762-N766 PolarHBondContact O-OD1 2.94Å; I763-N766 PolarHBondContact O-N 3.25Å; N766-G768 VanDerWaalsContact C-N 3.29Å; N766-G768 PolarHBondContact O-N 3.32Å; N766-E769 PolarHBondContact O-N 2.97Å; N766-V770 WeakPolarHBondContact O-CB 3.39Å; N766-V770 VanDerWaalsContact O-CG2 3.3Å; N766-V770 WeakPolarHBondContact O-CG2 3.29Å; N766-V770 PolarHBondContact O-N 2.83Å; N766-N794 PolarHBondContact ND2-ND2 3.49Å; N766-N794 VanDerWaalsContact ND2-ND2 3.2Å
767V90.8Very high89.9Confident42 Ų4213.4 Ų13.426%0.2557%0.072SC..Hα-helixtrans-62-39.9173.4171.40000110.7I763 S765 V771 L836I763-V767 HydrophobicContact CG2-CG2 4.33Å; I763-V767 VanDerWaalsContact O-CG2 3.29Å; I763-V767 WeakPolarHBondContact O-CG2 3.27Å; I763-V767 PolarHBondContact O-N 3.35Å; S765-V767 VanDerWaalsContact C-N 3.29Å; S765-V767 PolarHBondContact O-N 3.02Å; V767-V771 VanDerWaalsContact O-CG2 3.26Å; V767-V771 WeakPolarHBondContact O-CG2 3.36Å; V767-V771 PolarHBondContact O-N 3.48Å; V767-L836 HydrophobicContact CG1-CD1 4.46Å
768G92.3Very high89.8Confident0 Ų015 Ų150%09%0.086CC..Hα-helixtrans-63.6-43.5174.300000113.5S764 S765 N766 V771 C772 G839 G843S764-G768 PolarHBondContact O-N 3.01Å; S765-G768 CarbonylContact O-C 3.57Å; S765-G768 VanDerWaalsContact O-CA 3.28Å; S765-G768 WeakPolarHBondContact O-CA 3.46Å; S765-G768 PolarHBondContact O-N 3Å; N766-G768 VanDerWaalsContact C-N 3.29Å; N766-G768 PolarHBondContact O-N 3.32Å; G768-V771 PolarHBondContact O-N 3.1Å; G768-C772 WeakPolarHBondContact O-CB 3.43Å; G768-C772 PolarHBondContact O-N 3.06Å; G768-G839 VanDerWaalsContact CA-O 3.29Å; G768-G839 WeakPolarHBondContact CA-O 3.49Å; G768-G843 WeakPolarHBondContact O-CA 3.32Å
769E92.9Very high89.6Confident1 Ų119.2 Ų19.21%0.00511%0.109CC..Hα-helixtrans-61.1-46.3175.5-60.3-175.6155.100111.4A305 S765 N766 V771 C772 I773 L790 N794 L902A305-E769 HydrophobicContact CB-CB 4Å; S765-E769 PolarHBondContact O-N 2.94Å; N766-E769 PolarHBondContact O-N 2.97Å; E769-V771 VanDerWaalsContact C-N 3.34Å; E769-V771 PolarHBondContact O-N 3.13Å; E769-C772 VanDerWaalsContact O-CB 3.32Å; E769-C772 WeakPolarHBondContact O-CB 3.39Å; E769-C772 PolarHBondContact O-N 3.35Å; E769-C772 VanDerWaalsContact O-N 3.14Å; E769-I773 WeakPolarHBondContact O-CG1 3.43Å; E769-I773 PolarHBondContact O-N 3.41Å; E769-L790 HydrophobicContact CB-CD2 4.13Å; E769-L790 HydrophobicContact CG-CD2 3.88Å; E769-N794 PolarHBondContact OE1-OD1 3.43Å; E769-N794 PolarHBondContact OE2-ND2 2.9Å; E769-N794 PolarHBondContact OE2-OD1 3.43Å; E769-L902 HydrophobicContact CG-CD1 4.38Å; E769-L902 HydrophobicContact CG-CD2 4.19Å
770V91Very high89.3Confident21 Ų2120.2 Ų20.213%0.12712%0.119CC..Hα-helixtrans-59.5-43.3175.6167.20000111.5I267 L302 A305 A306 N766 F774I267-V770 HydrophobicContact CD1-CG1 3.68Å; L302-V770 HydrophobicContact CD1-CB 4.46Å; L302-V770 HydrophobicContact CD1-CG1 4.03Å; L302-V770 HydrophobicContact CD1-CG2 4.42Å; A305-V770 HydrophobicContact CB-CG2 4.38Å; A306-V770 HydrophobicContact CB-CG2 3.65Å; N766-V770 WeakPolarHBondContact O-CB 3.39Å; N766-V770 VanDerWaalsContact O-CG2 3.3Å; N766-V770 WeakPolarHBondContact O-CG2 3.29Å; N766-V770 PolarHBondContact O-N 2.83Å; V770-F774 WeakPolarHBondContact O-CB 3.35Å; V770-F774 PolarHBondContact O-N 3.11Å
771V92.5Very high89.5Confident35 Ų3521.4 Ų21.421%0.21212%0.124CC..Hα-helixtrans-65.5-39.3176.21740000111.1V767 G768 E769 F774 L775V767-V771 VanDerWaalsContact O-CG2 3.26Å; V767-V771 WeakPolarHBondContact O-CG2 3.36Å; V767-V771 PolarHBondContact O-N 3.48Å; G768-V771 PolarHBondContact O-N 3.1Å; E769-V771 VanDerWaalsContact C-N 3.34Å; E769-V771 PolarHBondContact O-N 3.13Å; V771-F774 PolarHBondContact O-N 3.29Å; V771-L775 HydrophobicContact CG1-CD1 3.7Å; V771-L775 HydrophobicContact CG1-CG 4.01Å; V771-L775 VanDerWaalsContact O-CB 3.29Å; V771-L775 WeakPolarHBondContact O-CB 3.37Å; V771-L775 VanDerWaalsContact O-CG 3.24Å; V771-L775 WeakPolarHBondContact O-CG 3.3Å; V771-L775 PolarHBondContact O-N 2.9Å
772C93.3Very high89.3Confident1 Ų122 Ų221%0.00713%0.129CC..Hα-helixtrans-58.3-53175.6177.70000111.5G768 E769 F774 L775 T776 T846 V847G768-C772 WeakPolarHBondContact O-CB 3.43Å; G768-C772 PolarHBondContact O-N 3.06Å; E769-C772 VanDerWaalsContact O-CB 3.32Å; E769-C772 WeakPolarHBondContact O-CB 3.39Å; E769-C772 PolarHBondContact O-N 3.35Å; E769-C772 VanDerWaalsContact O-N 3.14Å; C772-F774 PolarHBondContact O-N 3.01Å; C772-L775 PolarHBondContact O-N 2.92Å; C772-T776 WeakPolarHBondContact O-CB 3.47Å; C772-T776 PolarHBondContact O-N 3.33Å; C772-T776 PolarHBondContact O-OG1 3.42Å; C772-T846 WeakPolarHBondContact CB-OG1 3.26Å; C772-T846 PolarHBondContact SG-OG1 2.84Å; C772-V847 HydrophobicContact CB-CG2 4.4Å; C772-V847 WeakPolarHBondContact O-CG2 3.31Å
773I89.5Confident89Confident12 Ų1224.4 Ų24.46%0.06214%0.14CC..Hα-helixtrans-64-43.6179.8-60.3-57.1000110.5I298 L302 A305 E769 T776 A777 L785 L790I298-I773 HydrophobicContact CG2-CG2 4.11Å; L302-I773 HydrophobicContact CB-CG2 4.23Å; L302-I773 HydrophobicContact CD1-CB 4.15Å; L302-I773 HydrophobicContact CD1-CG2 4.03Å; A305-I773 HydrophobicContact CB-CG1 4.39Å; E769-I773 WeakPolarHBondContact O-CG1 3.43Å; E769-I773 PolarHBondContact O-N 3.41Å; I773-T776 PolarHBondContact O-N 3.45Å; I773-A777 VanDerWaalsContact O-CB 3.28Å; I773-A777 WeakPolarHBondContact O-CB 3.32Å; I773-A777 PolarHBondContact O-N 3.31Å; I773-L785 HydrophobicContact CD1-CB 4.38Å; I773-L790 HydrophobicContact CD1-CD1 4.47Å
774F88.7Confident89.2Confident68 Ų6823.8 Ų23.830%0.29814%0.137SC..Hα-helixtrans-62.1-46.3177.9178.5-99.4000112.4I267 V271 I274 V770 V771 C772 A777 A778I267-F774 HydrophobicContact CG2-CD2 3.93Å; V271-F774 HydrophobicContact CG2-CD2 3.8Å; V271-F774 HydrophobicContact CG2-CE2 4.21Å; I274-F774 HydrophobicContact CD1-CE2 4.18Å; I274-F774 HydrophobicContact CD1-CZ 4.23Å; V770-F774 WeakPolarHBondContact O-CB 3.35Å; V770-F774 PolarHBondContact O-N 3.11Å; V771-F774 PolarHBondContact O-N 3.29Å; C772-F774 PolarHBondContact O-N 3.01Å; F774-A777 PolarHBondContact O-N 2.86Å; F774-A778 HydrophobicContact CE1-CB 4.44Å; F774-A778 HydrophobicContact CZ-CB 4.46Å; F774-A778 WeakPolarHBondContact O-CB 3.49Å; F774-A778 PolarHBondContact O-N 3.06Å
775L90.6Very high89.3Confident51 Ų5123.9 Ų23.927%0.26714%0.137SC..Hα-helixtrans-65.2-43.5178.8-74.6177.4000111.6V771 C772 A777 A778 L779 A844 V847V771-L775 HydrophobicContact CG1-CD1 3.7Å; V771-L775 HydrophobicContact CG1-CG 4.01Å; V771-L775 VanDerWaalsContact O-CB 3.29Å; V771-L775 WeakPolarHBondContact O-CB 3.37Å; V771-L775 VanDerWaalsContact O-CG 3.24Å; V771-L775 WeakPolarHBondContact O-CG 3.3Å; V771-L775 PolarHBondContact O-N 2.9Å; C772-L775 PolarHBondContact O-N 2.92Å; L775-A777 PolarHBondContact O-N 3.03Å; L775-A778 PolarHBondContact O-N 3.27Å; L775-L779 VanDerWaalsContact O-CB 3.25Å; L775-L779 WeakPolarHBondContact O-CB 3.12Å; L775-L779 WeakPolarHBondContact O-CG 3.19Å; L775-L779 PolarHBondContact O-N 3.4Å; L775-A844 HydrophobicContact CD1-CB 4.41Å; L775-V847 HydrophobicContact CB-CG2 3.92Å
776T88.8Confident89.1Confident7 Ų724.8 Ų24.84%0.04314%0.142CC..Hα-helixtrans-59.6-48.3177.4-56.40000110.7C772 I773 G780 F781 P782 V847C772-T776 WeakPolarHBondContact O-CB 3.47Å; C772-T776 PolarHBondContact O-N 3.33Å; C772-T776 PolarHBondContact O-OG1 3.42Å; I773-T776 PolarHBondContact O-N 3.45Å; T776-G780 PolarHBondContact O-N 2.84Å; T776-G780 VanDerWaalsContact O-N 3.15Å; T776-F781 HydrophobicContact CG2-CB 4.03Å; T776-F781 WeakPolarHBondContact CG2-O 3.35Å; T776-F781 PolarHBondContact O-N 3.2Å; T776-P782 WeakPolarHBondContact CG2-O 3.29Å; T776-V847 WeakPolarHBondContact OG1-CG2 3.47Å
777A84.6Confident88.8Confident7 Ų724.6 Ų24.66%0.05814%0.141CC..Hα-helixtrans-68.9-37.2179.100000113.3V271 N275 I298 I773 F774 L775V271-A777 HydrophobicContact CG1-CB 4.23Å; N275-A777 PolarHBondContact OD1-O 3.43Å; I298-A777 HydrophobicContact CD1-CB 4.31Å; I298-A777 HydrophobicContact CG2-CB 3.98Å; I773-A777 VanDerWaalsContact O-CB 3.28Å; I773-A777 WeakPolarHBondContact O-CB 3.32Å; I773-A777 PolarHBondContact O-N 3.31Å; F774-A777 PolarHBondContact O-N 2.86Å; L775-A777 PolarHBondContact O-N 3.03Å
778A85.2Confident88.5Confident41 Ų4123.3 Ų23.334%0.33913%0.134SC..Hα-helixtrans-74.9-30-179.500000112.9F774 L775F774-A778 HydrophobicContact CE1-CB 4.44Å; F774-A778 HydrophobicContact CZ-CB 4.46Å; F774-A778 WeakPolarHBondContact O-CB 3.49Å; F774-A778 PolarHBondContact O-N 3.06Å; L775-A778 PolarHBondContact O-N 3.27Å
779L86.8Confident88.5Confident89 Ų8923.4 Ų23.447%0.46613%0.134SC..Hα-helixtrans-87.5-6.9176.2-64.4173.5000113L775 F781 S869L775-L779 VanDerWaalsContact O-CB 3.25Å; L775-L779 WeakPolarHBondContact O-CB 3.12Å; L775-L779 WeakPolarHBondContact O-CG 3.19Å; L775-L779 PolarHBondContact O-N 3.4Å; L779-F781 VanDerWaalsContact C-N 3.28Å; L779-F781 HydrophobicContact CB-CD1 3.98Å; L779-F781 HydrophobicContact CB-CD2 4.36Å; L779-F781 HydrophobicContact CB-CE1 4.09Å; L779-F781 HydrophobicContact CB-CE2 4.44Å; L779-F781 HydrophobicContact CB-CG 4.13Å; L779-F781 HydrophobicContact CB-CZ 4.31Å; L779-F781 HydrophobicContact CD1-CD2 4.36Å; L779-F781 HydrophobicContact CD1-CE2 4.03Å; L779-F781 HydrophobicContact CD1-CZ 4.3Å; L779-F781 PolarHBondContact O-N 3.05Å; L779-S869 VanDerWaalsContact O-CB 3.28Å; L779-S869 WeakPolarHBondContact O-CB 3.43Å
780G81.9Confident88.4Confident22 Ų2223.3 Ų23.323%0.22713%0.134CC..THydrogen-bonded Turntrans66.628.7-175.900000113.1T776 S869 F871T776-G780 PolarHBondContact O-N 2.84Å; T776-G780 VanDerWaalsContact O-N 3.15Å; G780-S869 CarbonylContact O-C 3.37Å; G780-S869 WeakPolarHBondContact O-CA 3.5Å; G780-F871 VanDerWaalsContact O-CD1 3.24Å; G780-F871 WeakPolarHBondContact O-CD1 3.24Å; G780-F871 VanDerWaalsContact O-CE1 3.29Å; G780-F871 WeakPolarHBondContact O-CE1 3.49Å
781F88.7Confident88.2Confident28 Ų2822.6 Ų22.612%0.12313%0.129CC..PPolyproline II helixtrans-82.8156.9177.5-72.91000111T776 L779 V847 A851 L865 L868 F871T776-F781 HydrophobicContact CG2-CB 4.03Å; T776-F781 WeakPolarHBondContact CG2-O 3.35Å; T776-F781 PolarHBondContact O-N 3.2Å; L779-F781 VanDerWaalsContact C-N 3.28Å; L779-F781 HydrophobicContact CB-CD1 3.98Å; L779-F781 HydrophobicContact CB-CD2 4.36Å; L779-F781 HydrophobicContact CB-CE1 4.09Å; L779-F781 HydrophobicContact CB-CE2 4.44Å; L779-F781 HydrophobicContact CB-CG 4.13Å; L779-F781 HydrophobicContact CB-CZ 4.31Å; L779-F781 HydrophobicContact CD1-CD2 4.36Å; L779-F781 HydrophobicContact CD1-CE2 4.03Å; L779-F781 HydrophobicContact CD1-CZ 4.3Å; L779-F781 PolarHBondContact O-N 3.05Å; F781-V847 HydrophobicContact CD2-CG1 3.97Å; F781-V847 HydrophobicContact CE2-CG1 4.34Å; F781-A851 HydrophobicContact CD2-CB 4.46Å; F781-A851 HydrophobicContact CE2-CB 4.08Å; F781-L865 HydrophobicContact CZ-CD2 4.06Å; F781-L868 HydrophobicContact CD1-CB 4.49Å; F781-L868 HydrophobicContact CD1-CD2 4.09Å; F781-L868 HydrophobicContact CD1-CG 3.82Å; F781-L868 HydrophobicContact CD2-CD2 4.05Å; F781-L868 HydrophobicContact CE1-CB 4.36Å; F781-L868 HydrophobicContact CE1-CD2 3.97Å; F781-L868 HydrophobicContact CE1-CG 3.99Å; F781-L868 HydrophobicContact CE2-CD2 3.95Å; F781-L868 HydrophobicContact CG-CD2 4.13Å; F781-L868 HydrophobicContact CG-CG 4.11Å; F781-L868 HydrophobicContact CZ-CD2 3.91Å; F781-L868 HydrophobicContact CZ-CG 4.44Å; F781-F871 VanDerWaalsContact C-CE1 3.48Å
782P86.9Confident88.2Confident14 Ų1424 Ų249%0.09113%0.13CC..PPolyproline II helixtrans-55.5147.2167.8-21.431.1000111.2T776 A784 F854 L868 F871 F889T776-P782 WeakPolarHBondContact CG2-O 3.29Å; P782-A784 PolarHBondContact O-N 3.28Å; P782-A784 VanDerWaalsContact O-N 3.15Å; P782-F854 HydrophobicContact CB-CZ 4.49Å; P782-F854 HydrophobicContact CG-CE2 4.23Å; P782-F854 HydrophobicContact CG-CZ 4.18Å; P782-L868 VanDerWaalsContact CD-CD1 3.49Å; P782-L868 HydrophobicContact CG-CD1 3.88Å; P782-F871 HydrophobicContact CB-CE2 4.47Å; P782-F871 HydrophobicContact CB-CZ 4.46Å; P782-F871 HydrophobicContact CG-CB 4.32Å; P782-F871 HydrophobicContact CG-CD1 3.91Å; P782-F871 HydrophobicContact CG-CD2 4.11Å; P782-F871 HydrophobicContact CG-CE1 4.24Å; P782-F871 HydrophobicContact CG-CE2 4.42Å; P782-F871 HydrophobicContact CG-CG 3.84Å; P782-F871 HydrophobicContact CG-CZ 4.48Å; P782-F889 HydrophobicContact CG-CB 4.45Å; P782-F889 HydrophobicContact CG-CD1 3.8Å
783E85.8Confident88.2Confident51 Ų5123.9 Ų23.924%0.23813%0.13CC..PPolyproline II helixtrans-53.6118.6-178.3-68174.2-156.100111.1Y294Y294-E783 VanDerWaalsContact CE2-OE1 3.31Å; Y294-E783 WeakPolarHBondContact CE2-OE1 3.47Å; Y294-E783 PolarHBondContact OH-OE1 3.47Å
784A90.7Very high88.2Confident3 Ų323.4 Ų23.43%0.02513%0.127CC..SBendtrans-78.5-31179.700000112.1P782 A850 M895 A898P782-A784 PolarHBondContact O-N 3.28Å; P782-A784 VanDerWaalsContact O-N 3.15Å; A784-A850 HydrophobicContact CB-CB 4.17Å; A784-M895 WeakPolarHBondContact O-CA 3.29Å; A784-A898 HydrophobicContact CB-CB 4.15Å; A784-A898 WeakPolarHBondContact O-CB 3.28Å
785L91.4Very high88.2Confident2 Ų223.6 Ų23.61%0.0113%0.131CC..SBendtrans-143.1143.1-179.6-66.8171.8000109.6I773 L790 A898 L899 L902I773-L785 HydrophobicContact CD1-CB 4.38Å; L785-L790 HydrophobicContact CB-CD2 4.07Å; L785-L790 HydrophobicContact CB-CG 4.38Å; L785-L790 HydrophobicContact CD1-CD2 3.76Å; L785-L790 HydrophobicContact CG-CD2 4.46Å; L785-A898 HydrophobicContact CD2-CB 4.07Å; L785-A898 HydrophobicContact CG-CB 4.27Å; L785-L899 HydrophobicContact CD2-CB 3.94Å; L785-L899 HydrophobicContact CD2-CD1 4.24Å; L785-L902 HydrophobicContact CD1-CD2 3.8Å
786I87.4Confident88.2Confident19 Ų1922.7 Ų22.710%0.09713%0.128CC..  trans-108.9158.7178.364.5173.1000111.6V788 Q789 L790 M895 Q956I786-V788 VanDerWaalsContact C-N 3.3Å; I786-V788 PolarHBondContact O-N 2.87Å; I786-Q789 HydrophobicContact CD1-CG 4.22Å; I786-Q789 HydrophobicContact CG1-CB 4.2Å; I786-Q789 VanDerWaalsContact CG1-CD 3.47Å; I786-Q789 HydrophobicContact CG1-CG 3.61Å; I786-Q789 WeakPolarHBondContact O-CB 3.45Å; I786-Q789 PolarHBondContact O-N 2.96Å; I786-L790 PolarHBondContact O-N 3.2Å; I786-M895 HydrophobicContact CG2-SD 3.93Å; I786-Q956 HydrophobicContact CD1-CB 4.17Å; I786-Q956 HydrophobicContact CD1-CG 4.2Å
787P84.6Confident88.5Confident3 Ų322.4 Ų22.42%0.01913%0.126CC..Hα-helixtrans-54.6-40.3-175.9-27.234.8000114.4E90 A301 Q789 L790 L791E90-P787 HydrophobicContact CG-CB 4.15Å; A301-P787 HydrophobicContact CB-CG 3.73Å; P787-Q789 VanDerWaalsContact C-N 3.29Å; P787-Q789 PolarHBondContact O-N 2.83Å; P787-L790 PolarHBondContact O-N 2.98Å; P787-L791 WeakPolarHBondContact O-CG 3.14Å; P787-L791 PolarHBondContact O-N 3.14Å
788V85.8Confident89Confident15 Ų1522.1 Ų22.19%0.09112%0.123CC..Hα-helixtrans-63.3-35.6-179-179.70000111.9E90 I786 W792 F955E90-V788 HydrophobicContact CB-CG2 4Å; E90-V788 HydrophobicContact CG-CG2 4.31Å; I786-V788 VanDerWaalsContact C-N 3.3Å; I786-V788 PolarHBondContact O-N 2.87Å; V788-W792 PolarHBondContact O-N 2.9Å; V788-F955 HydrophobicContact CG1-CD1 3.86Å; V788-F955 HydrophobicContact CG1-CE1 3.81Å
789Q91.8Very high89.3Confident1 Ų120.4 Ų20.41%0.00511%0.11CC..Hα-helixtrans-69.8-45.6176-66.6166.9-3.200111I786 P787 L791 W792 V793 L899 F955I786-Q789 HydrophobicContact CD1-CG 4.22Å; I786-Q789 HydrophobicContact CG1-CB 4.2Å; I786-Q789 VanDerWaalsContact CG1-CD 3.47Å; I786-Q789 HydrophobicContact CG1-CG 3.61Å; I786-Q789 WeakPolarHBondContact O-CB 3.45Å; I786-Q789 PolarHBondContact O-N 2.96Å; P787-Q789 VanDerWaalsContact C-N 3.29Å; P787-Q789 PolarHBondContact O-N 2.83Å; Q789-L791 PolarHBondContact O-N 3.47Å; Q789-W792 WeakPolarHBondContact O-CB 3.31Å; Q789-W792 PolarHBondContact O-N 2.82Å; Q789-V793 WeakPolarHBondContact O-CG2 3.16Å; Q789-V793 PolarHBondContact O-N 2.73Å; Q789-L899 HydrophobicContact CB-CD1 4.16Å; Q789-L899 HydrophobicContact CG-CD2 4.28Å; Q789-F955 HydrophobicContact CG-CD1 4.41Å; Q789-F955 PolarHBondContact NE2-O 3.38Å
790L90.5Very high89.7Confident0 Ų018.9 Ų18.90%010%0.102CC..Hα-helixtrans-61.6-43.4179.3-62.2175.1000111.7A305 E769 I773 L785 I786 P787 W792 V793 N794 L902A305-L790 HydrophobicContact CB-CD1 3.72Å; E769-L790 HydrophobicContact CB-CD2 4.13Å; E769-L790 HydrophobicContact CG-CD2 3.88Å; I773-L790 HydrophobicContact CD1-CD1 4.47Å; L785-L790 HydrophobicContact CB-CD2 4.07Å; L785-L790 HydrophobicContact CB-CG 4.38Å; L785-L790 HydrophobicContact CD1-CD2 3.76Å; L785-L790 HydrophobicContact CG-CD2 4.46Å; I786-L790 PolarHBondContact O-N 3.2Å; P787-L790 PolarHBondContact O-N 2.98Å; L790-W792 VanDerWaalsContact C-N 3.29Å; L790-W792 PolarHBondContact O-N 2.76Å; L790-V793 PolarHBondContact O-N 3.35Å; L790-V793 VanDerWaalsContact O-N 3.12Å; L790-N794 WeakPolarHBondContact O-CB 3.47Å; L790-N794 PolarHBondContact O-N 3.1Å; L790-L902 HydrophobicContact CD2-CD2 4.34Å
791L87.3Confident90.3Very high5 Ų517.9 Ų17.93%0.0269%0.091CC..Hα-helixtrans-59-40.2175.3-73171.9000112.2V93 I94 I97 V304 E309 P787 Q789 L795V93-L791 HydrophobicContact CG1-CD1 3.87Å; I94-L791 HydrophobicContact CG1-CD1 3.87Å; I97-L791 HydrophobicContact CD1-CD2 3.86Å; V304-L791 HydrophobicContact CG1-CD1 4.39Å; V304-L791 HydrophobicContact CG1-CD2 3.61Å; V304-L791 HydrophobicContact CG1-CG 3.71Å; E309-L791 HydrophobicContact CG-CD2 4.31Å; E309-L791 WeakPolarHBondContact OE1-CD2 3.39Å; P787-L791 WeakPolarHBondContact O-CG 3.14Å; P787-L791 PolarHBondContact O-N 3.14Å; Q789-L791 PolarHBondContact O-N 3.47Å; L791-L795 WeakPolarHBondContact O-CB 3.47Å; L791-L795 PolarHBondContact O-N 3.48Å
792W91.6Very high90.6Very high64 Ų6416.5 Ų16.524%0.2429%0.085CC..Hα-helixtrans-67.2-40.6175.5178.6-92.7000112.1V788 Q789 L790 V796 T797 L941 I945 F955V788-W792 PolarHBondContact O-N 2.9Å; Q789-W792 WeakPolarHBondContact O-CB 3.31Å; Q789-W792 PolarHBondContact O-N 2.82Å; L790-W792 VanDerWaalsContact C-N 3.29Å; L790-W792 PolarHBondContact O-N 2.76Å; W792-V796 HydrophobicContact CD2-CB 4.17Å; W792-V796 HydrophobicContact CD2-CG2 4.16Å; W792-V796 HydrophobicContact CE3-CB 4.4Å; W792-V796 HydrophobicContact CE3-CG2 3.89Å; W792-V796 HydrophobicContact CH2-CG1 4.18Å; W792-V796 HydrophobicContact CH2-CG2 4.29Å; W792-V796 HydrophobicContact CZ2-CB 4.3Å; W792-V796 HydrophobicContact CZ2-CG1 3.89Å; W792-V796 HydrophobicContact CZ3-CG2 3.96Å; W792-V796 WeakPolarHBondContact O-CA 3.34Å; W792-V796 WeakPolarHBondContact O-CB 3.37Å; W792-V796 PolarHBondContact O-N 3.41Å; W792-T797 PolarHBondContact O-N 3.27Å; W792-T797 VanDerWaalsContact O-N 3.17Å; W792-L941 HydrophobicContact CZ2-CB 4.41Å; W792-I945 HydrophobicContact CH2-CG2 4.42Å; W792-I945 HydrophobicContact CZ2-CG2 3.78Å; W792-F955 HydrophobicContact CB-CE1 3.64Å; W792-F955 HydrophobicContact CB-CZ 4.1Å; W792-F955 HydrophobicContact CD2-CE1 4.32Å; W792-F955 AromaticContact CD2-CZ 3.87Å; W792-F955 HydrophobicContact CD2-CZ 3.87Å; W792-F955 HydrophobicContact CE3-CE1 4.48Å; W792-F955 AromaticContact CE3-CZ 3.78Å; W792-F955 HydrophobicContact CE3-CZ 3.78Å; W792-F955 AromaticContact CG-CE1 3.98Å; W792-F955 HydrophobicContact CG-CE1 3.98Å; W792-F955 HydrophobicContact CG-CZ 4.02Å; W792-F955 HydrophobicContact CZ3-CZ 4.49Å
793V92.9Very high90.8Very high0 Ų017.4 Ų17.40%09%0.091CC..Iπ-helixtrans-62.5-55.6176.7173.50000110.6Q789 L790 L795 T797 D798 L899 L902 V903Q789-V793 WeakPolarHBondContact O-CG2 3.16Å; Q789-V793 PolarHBondContact O-N 2.73Å; L790-V793 PolarHBondContact O-N 3.35Å; L790-V793 VanDerWaalsContact O-N 3.12Å; V793-L795 VanDerWaalsContact C-N 3.33Å; V793-L795 PolarHBondContact O-N 3.06Å; V793-T797 PolarHBondContact O-N 3.2Å; V793-T797 VanDerWaalsContact O-N 3.16Å; V793-D798 WeakPolarHBondContact O-CB 3.45Å; V793-D798 PolarHBondContact O-N 2.94Å; V793-L899 HydrophobicContact CG2-CD1 3.57Å; V793-L902 HydrophobicContact CG1-CD2 4.09Å; V793-L902 HydrophobicContact CG1-CG 4.36Å; V793-L902 HydrophobicContact CG2-CD2 4.21Å; V793-V903 HydrophobicContact CG2-CG2 4.26Å
794N90.7Very high91.2Very high2 Ų215.2 Ų15.21%0.0118%0.081CC..Iπ-helixtrans-64.8-33.2-175.8-72.4-23.7000113.5E309 N766 E769 L790E309-N794 WeakPolarHBondContact OE2-CB 3.25Å; N766-N794 PolarHBondContact ND2-ND2 3.49Å; N766-N794 VanDerWaalsContact ND2-ND2 3.2Å; E769-N794 PolarHBondContact OE1-OD1 3.43Å; E769-N794 PolarHBondContact OE2-ND2 2.9Å; E769-N794 PolarHBondContact OE2-OD1 3.43Å; L790-N794 WeakPolarHBondContact O-CB 3.47Å; L790-N794 PolarHBondContact O-N 3.1Å
795L88.1Confident91.3Very high71 Ų7115.1 Ų15.137%0.3728%0.08SC..Iπ-helixtrans-88.8-44.1-178.2-172.564.7000113.3I97 L791 V793I97-L795 HydrophobicContact CD1-CD2 4.38Å; I97-L795 HydrophobicContact CG1-CD2 4.41Å; L791-L795 WeakPolarHBondContact O-CB 3.47Å; L791-L795 PolarHBondContact O-N 3.48Å; V793-L795 VanDerWaalsContact C-N 3.33Å; V793-L795 PolarHBondContact O-N 3.06Å
796V91.6Very high91.2Very high33 Ų3315.1 Ų15.120%0.28%0.081CC..Iπ-helixtrans-107.6-57.9-169.2-1770000111W792 D798 L800 L941W792-V796 HydrophobicContact CD2-CB 4.17Å; W792-V796 HydrophobicContact CD2-CG2 4.16Å; W792-V796 HydrophobicContact CE3-CB 4.4Å; W792-V796 HydrophobicContact CE3-CG2 3.89Å; W792-V796 HydrophobicContact CH2-CG1 4.18Å; W792-V796 HydrophobicContact CH2-CG2 4.29Å; W792-V796 HydrophobicContact CZ2-CB 4.3Å; W792-V796 HydrophobicContact CZ2-CG1 3.89Å; W792-V796 HydrophobicContact CZ3-CG2 3.96Å; W792-V796 WeakPolarHBondContact O-CA 3.34Å; W792-V796 WeakPolarHBondContact O-CB 3.37Å; W792-V796 PolarHBondContact O-N 3.41Å; V796-D798 PolarHBondContact O-N 3.31Å; V796-L800 WeakPolarHBondContact O-CG 3.5Å; V796-L800 PolarHBondContact O-N 2.98Å; V796-L941 HydrophobicContact CG1-CD1 3.71Å
797T93.9Very high91.2Very high1 Ų117.4 Ų17.41%0.0069%0.091CC..Iπ-helixtrans-62-48.1-173.2-53.60000111.4W792 V793 P801 V903 M907 S938W792-T797 PolarHBondContact O-N 3.27Å; W792-T797 VanDerWaalsContact O-N 3.17Å; V793-T797 PolarHBondContact O-N 3.2Å; V793-T797 VanDerWaalsContact O-N 3.16Å; T797-P801 WeakPolarHBondContact O-CD 3.23Å; T797-P801 WeakPolarHBondContact O-CG 3.48Å; T797-V903 HydrophobicContact CG2-CB 4.25Å; T797-V903 HydrophobicContact CG2-CG1 3.76Å; T797-V903 HydrophobicContact CG2-CG2 3.8Å; T797-M907 HydrophobicContact CG2-CE 3.89Å; T797-S938 PolarHBondContact O-OG 3.36Å
798D94.8Very high91.4Very high0 Ų017.6 Ų17.60%09%0.091CC..THydrogen-bonded Turntrans-89-28.3179.9-70.6-6.9000112.1Y761 L762 S765 V793 V796 L800 P801 A802 E906Y761-D798 HydrophobicContact CE1-CB 4.11Å; Y761-D798 WeakPolarHBondContact OH-CA 3.48Å; Y761-D798 PolarHBondContact OH-OD1 3.35Å; L762-D798 HydrophobicContact CD2-CB 3.77Å; S765-D798 VanDerWaalsContact CB-OD2 3.31Å; S765-D798 WeakPolarHBondContact CB-OD2 3.34Å; S765-D798 PolarHBondContact OG-OD2 2.95Å; V793-D798 WeakPolarHBondContact O-CB 3.45Å; V793-D798 PolarHBondContact O-N 2.94Å; V796-D798 PolarHBondContact O-N 3.31Å; D798-L800 VanDerWaalsContact C-N 3.29Å; D798-L800 PolarHBondContact O-N 2.56Å; D798-P801 WeakPolarHBondContact O-CD 3.47Å; D798-A802 WeakPolarHBondContact O-CB 3.36Å; D798-A802 PolarHBondContact O-N 3.06Å; D798-E906 WeakPolarHBondContact OD1-CB 3.28Å
799G92.4Very high91.3Very high6 Ų619.3 Ų19.36%0.06210%0.103CC..Hα-helixtrans-59.5-37.7178.300000113.4T803G799-T803 WeakPolarHBondContact O-CB 3.38Å; G799-T803 PolarHBondContact O-N 2.76Å; G799-T803 PolarHBondContact O-OG1 3.18Å
800L94.3Very high90.9Very high57 Ų5722.6 Ų22.630%0.29812%0.124SC..Hα-helixtrans-67.1-56.2178.2-72.3173.9000112.5V796 D798 A802 T803 A804 A934 L937 L941V796-L800 WeakPolarHBondContact O-CG 3.5Å; V796-L800 PolarHBondContact O-N 2.98Å; D798-L800 VanDerWaalsContact C-N 3.29Å; D798-L800 PolarHBondContact O-N 2.56Å; L800-A802 VanDerWaalsContact C-N 3.33Å; L800-A802 PolarHBondContact O-N 3.23Å; L800-T803 PolarHBondContact O-N 2.79Å; L800-A804 PolarHBondContact O-N 3.07Å; L800-A934 HydrophobicContact CB-CB 4.39Å; L800-L937 HydrophobicContact CD1-CB 4.4Å; L800-L937 HydrophobicContact CD1-CD2 3.76Å; L800-L937 HydrophobicContact CD1-CG 3.83Å; L800-L937 HydrophobicContact CD2-CD2 4.3Å; L800-L941 HydrophobicContact CD1-CD1 3.75Å
801P95.3Very high90.3Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-58.8-39.4173-23.731.5000113.4Y761 T797 D798 T803 A804 L805 M907 A910 L931 S938Y761-P801 HydrophobicContact CE1-CB 4.11Å; T797-P801 WeakPolarHBondContact O-CD 3.23Å; T797-P801 WeakPolarHBondContact O-CG 3.48Å; D798-P801 WeakPolarHBondContact O-CD 3.47Å; P801-T803 VanDerWaalsContact C-N 3.32Å; P801-T803 PolarHBondContact O-N 3.36Å; P801-A804 CarbonylContact O-C 3.59Å; P801-A804 WeakPolarHBondContact O-CA 3.43Å; P801-A804 WeakPolarHBondContact O-CB 3.47Å; P801-A804 PolarHBondContact O-N 3.45Å; P801-L805 WeakPolarHBondContact O-CG 3.38Å; P801-L805 PolarHBondContact O-N 3.36Å; P801-M907 HydrophobicContact CG-CE 3.72Å; P801-M907 HydrophobicContact CG-SD 3.94Å; P801-A910 HydrophobicContact CB-CB 3.82Å; P801-L931 HydrophobicContact CB-CD1 4Å; P801-S938 WeakPolarHBondContact CD-OG 3.39Å
802A93.9Very high89.8Confident0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-60.4-42.9177.200000111.6V314 F758 Y761 L762 D798 L800 A804 L805 G806V314-A802 HydrophobicContact CG1-CB 3.92Å; V314-A802 HydrophobicContact CG2-CB 4.07Å; F758-A802 HydrophobicContact CB-CB 4.14Å; F758-A802 VanDerWaalsContact CB-O 3.31Å; F758-A802 WeakPolarHBondContact CB-O 3.36Å; Y761-A802 HydrophobicContact CD1-CB 3.9Å; Y761-A802 HydrophobicContact CE1-CB 3.99Å; L762-A802 HydrophobicContact CD1-CB 3.97Å; L762-A802 HydrophobicContact CD2-CB 3.82Å; L762-A802 HydrophobicContact CG-CB 3.87Å; D798-A802 WeakPolarHBondContact O-CB 3.36Å; D798-A802 PolarHBondContact O-N 3.06Å; L800-A802 VanDerWaalsContact C-N 3.33Å; L800-A802 PolarHBondContact O-N 3.23Å; A802-A804 VanDerWaalsContact C-N 3.32Å; A802-A804 PolarHBondContact O-N 3.44Å; A802-L805 PolarHBondContact O-N 3.2Å; A802-G806 PolarHBondContact O-N 3.15Å
803T92.4Very high89.4Confident33 Ų3333.8 Ų33.820%0.20219%0.188CC..Hα-helixtrans-63.7-39.7173.2-56.70000111.4T317 G799 L800 P801 L805 G806 F807T317-T803 HydrophobicContact CG2-CG2 3.71Å; G799-T803 WeakPolarHBondContact O-CB 3.38Å; G799-T803 PolarHBondContact O-N 2.76Å; G799-T803 PolarHBondContact O-OG1 3.18Å; L800-T803 PolarHBondContact O-N 2.79Å; P801-T803 VanDerWaalsContact C-N 3.32Å; P801-T803 PolarHBondContact O-N 3.36Å; T803-L805 PolarHBondContact O-N 2.87Å; T803-G806 WeakPolarHBondContact O-CA 3.4Å; T803-G806 PolarHBondContact O-N 2.85Å; T803-G806 VanDerWaalsContact O-N 3.1Å; T803-F807 WeakPolarHBondContact O-CD2 3.45Å
804A93.8Very high89.1Confident5 Ų534.2 Ų34.24%0.04119%0.19CC..Hα-helixtrans-66.9-34.117900000113.4L800 P801 A802 G806 F807 N928 W930 L931 A934L800-A804 PolarHBondContact O-N 3.07Å; P801-A804 CarbonylContact O-C 3.59Å; P801-A804 WeakPolarHBondContact O-CA 3.43Å; P801-A804 WeakPolarHBondContact O-CB 3.47Å; P801-A804 PolarHBondContact O-N 3.45Å; A802-A804 VanDerWaalsContact C-N 3.32Å; A802-A804 PolarHBondContact O-N 3.44Å; A804-G806 PolarHBondContact O-N 3.38Å; A804-F807 WeakPolarHBondContact O-CB 3.33Å; A804-F807 PolarHBondContact O-N 3.14Å; A804-N928 PolarHBondContact O-ND2 3.1Å; A804-W930 HydrophobicContact CB-CB 4.44Å; A804-L931 HydrophobicContact CB-CB 4.26Å; A804-L931 HydrophobicContact CB-CD1 4.08Å; A804-A934 HydrophobicContact CB-CB 3.62Å
805L92.7Very high89.1Confident0 Ų035.3 Ų35.30%020%0.195CC..Hα-helixtrans-62.5-24.5171.8-72.5173.1000112.3F758 Y761 P801 A802 T803 F807 N808 S913 L931F758-L805 HydrophobicContact CB-CB 3.92Å; F758-L805 HydrophobicContact CB-CD1 4.11Å; Y761-L805 HydrophobicContact CD1-CD1 3.98Å; Y761-L805 HydrophobicContact CG-CD1 4.03Å; P801-L805 WeakPolarHBondContact O-CG 3.38Å; P801-L805 PolarHBondContact O-N 3.36Å; A802-L805 PolarHBondContact O-N 3.2Å; T803-L805 PolarHBondContact O-N 2.87Å; L805-F807 PolarHBondContact O-N 3.24Å; L805-F807 VanDerWaalsContact O-N 3.1Å; L805-N808 WeakPolarHBondContact O-CB 3.38Å; L805-N808 VanDerWaalsContact O-CG 3.24Å; L805-N808 PolarHBondContact O-N 3.46Å; L805-N808 VanDerWaalsContact O-N 3.12Å; L805-N808 PolarHBondContact O-ND2 3.47Å; L805-S913 WeakPolarHBondContact CD2-O 3.31Å; L805-L931 HydrophobicContact CD2-CD1 4.22Å; L805-L931 HydrophobicContact CD2-CD2 3.98Å; L805-L931 HydrophobicContact CG-CD1 4.2Å
806G89.6Confident89.2Confident3 Ų339.3 Ų39.33%0.03121%0.212CC..THydrogen-bonded Turntrans-56.4-20.5168.100000114.2N754 A802 T803 A804N754-G806 PolarHBondContact ND2-O 3.27Å; A802-G806 PolarHBondContact O-N 3.15Å; T803-G806 WeakPolarHBondContact O-CA 3.4Å; T803-G806 PolarHBondContact O-N 2.85Å; T803-G806 VanDerWaalsContact O-N 3.1Å; A804-G806 PolarHBondContact O-N 3.38Å
807F88.3Confident88.9Confident67 Ų6741.6 Ų41.629%0.29422%0.219SC..THydrogen-bonded Turntrans-100.713.2179.6-61.2-89.8000114.3L321 T803 A804 L805 W930L321-F807 HydrophobicContact CD1-CE1 3.97Å; L321-F807 HydrophobicContact CD1-CE2 3.81Å; L321-F807 HydrophobicContact CD1-CZ 3.25Å; L321-F807 HydrophobicContact CD2-CE1 4.46Å; L321-F807 HydrophobicContact CD2-CZ 4.2Å; L321-F807 HydrophobicContact CG-CZ 4.26Å; T803-F807 WeakPolarHBondContact O-CD2 3.45Å; A804-F807 WeakPolarHBondContact O-CB 3.33Å; A804-F807 PolarHBondContact O-N 3.14Å; L805-F807 PolarHBondContact O-N 3.24Å; L805-F807 VanDerWaalsContact O-N 3.1Å; F807-W930 HydrophobicContact CB-CG 4.49Å; F807-W930 HydrophobicContact CD2-CB 4.48Å; F807-W930 HydrophobicContact CG-CG 4.44Å
808N88.2Confident88.8Confident7 Ų746.2 Ų46.24%0.03725%0.249CC..PPolyproline II helixtrans-58.1144.1174.7-74.1-8.8000111.2N754 L805 L914 N928N754-N808 PolarHBondContact ND2-N 3.06Å; N754-N808 PolarHBondContact ND2-O 3.17Å; N754-N808 WeakPolarHBondContact OD1-CB 3.33Å; L805-N808 WeakPolarHBondContact O-CB 3.38Å; L805-N808 VanDerWaalsContact O-CG 3.24Å; L805-N808 PolarHBondContact O-N 3.46Å; L805-N808 VanDerWaalsContact O-N 3.12Å; L805-N808 PolarHBondContact O-ND2 3.47Å; N808-L914 PolarHBondContact ND2-O 2.7Å; N808-L914 WeakPolarHBondContact OD1-CD2 3.46Å; N808-N928 PolarHBondContact OD1-ND2 3.23Å
809P83.7Confident88.8Confident50 Ų5047.6 Ų47.633%0.32526%0.258SS..PPolyproline II helixtrans-63.9142.8176.126.8-33.3000110.5
810P83.2Confident88.6Confident70 Ų7049 Ų4946%0.45526%0.262SS..PPolyproline II helixtrans-67.5152.4176.829.2-34.7000111.5A750A750-P810 HydrophobicContact CB-CB 3.79Å
811D78.6Confident88.2Confident58 Ų5851.1 Ų51.131%0.3127%0.273SS..PPolyproline II helixtrans-64.9143.1171.5-66.9-28.8000110.9D813 I814 K817D811-D813 WeakPolarHBondContact CB-OD1 3.32Å; D811-D813 PolarHBondContact O-N 3.34Å; D811-I814 WeakPolarHBondContact O-CB 3.31Å; D811-I814 PolarHBondContact O-N 3.3Å; D811-K817 IonicContact OD2-NZ 3.04Å
812L76.8Confident87.6Confident185 Ų18552.2 Ų52.297%0.96928%0.282SS*.THydrogen-bonded Turntrans-66.4-25179.6-62.4175.5000113.3
813D82.7Confident87.1Confident62 Ų6257.9 Ų57.933%0.33231%0.307SS..THydrogen-bonded Turntrans-99.514.4-176.869.5-17.7000112.9D811 M815 E816 K817D811-D813 WeakPolarHBondContact CB-OD1 3.32Å; D811-D813 PolarHBondContact O-N 3.34Å; D813-M815 PolarHBondContact O-N 3.38Å; D813-M815 VanDerWaalsContact O-N 3.15Å; D813-E816 HydrophobicContact CB-CB 4.47Å; D813-E816 PolarHBondContact O-N 2.97Å; D813-K817 PolarHBondContact O-N 3.16Å; D813-K817 IonicContact OD1-NZ 3.61Å; D813-K817 PolarHBondContact OD1-NZ 3.47Å; D813-K817 WeakPolarHBondContact OD2-CE 3.41Å; D813-K817 IonicContact OD2-NZ 2.72Å; D813-K817 PolarHBondContact OD2-NZ 2.8Å
814I86.4Confident86.6Confident9 Ų959.5 Ų59.55%0.04631%0.312CS..THydrogen-bonded Turntrans-60.1-30.5-172-160.469.8000113.3E746 R749 N753 D811E746-I814 HydrophobicContact CG-CG2 3.91Å; R749-I814 HydrophobicContact CB-CD1 3.94Å; R749-I814 HydrophobicContact CB-CG1 3.59Å; R749-I814 PolarHBondContact NH1-O 3.14Å; N753-I814 VanDerWaalsContact ND2-CD1 3.26Å; N753-I814 WeakPolarHBondContact ND2-CD1 3.23Å; D811-I814 WeakPolarHBondContact O-CB 3.31Å; D811-I814 PolarHBondContact O-N 3.3Å
815M90.7Very high86.1Confident25 Ų2562 Ų6212%0.12333%0.328CS..THydrogen-bonded Turntrans-94.81.9177.3-67.5-58.3-75.500113.9Q614 A615 V742 E746 D813Q614-M815 CarbonylContact C-O 3.57Å; A615-M815 WeakPolarHBondContact CA-O 3.37Å; A615-M815 HydrophobicContact CB-CE 3.83Å; A615-M815 VanDerWaalsContact CB-O 3.32Å; A615-M815 WeakPolarHBondContact CB-O 3.41Å; A615-M815 HydrophobicContact CB-SD 4.4Å; A615-M815 PolarHBondContact N-O 2.89Å; V742-M815 HydrophobicContact CG1-CE 3.75Å; E746-M815 HydrophobicContact CB-CG 4.15Å; E746-M815 HydrophobicContact CB-SD 3.73Å; E746-M815 HydrophobicContact CG-CG 3.86Å; E746-M815 HydrophobicContact CG-SD 4.07Å; D813-M815 PolarHBondContact O-N 3.38Å; D813-M815 VanDerWaalsContact O-N 3.15Å
816E89.7Confident85.4Confident154 Ų15462.8 Ų62.872%0.7233%0.332SS*.THydrogen-bonded Turntrans-97.3-17.2172.9-59.1-172.3170.700112.1D813D813-E816 HydrophobicContact CB-CB 4.47Å; D813-E816 PolarHBondContact O-N 2.97Å
817K86.3Confident85Confident82 Ų8264.6 Ų64.636%0.35734%0.341SS..SBendtrans-79145.2175.9-70.3165.7175.1147.10111A615 R749 D811 D813A615-K817 CarbonylContact C-O 3.49Å; A615-K817 VanDerWaalsContact O-O 3.08Å; R749-K817 PolarHBondContact NH1-O 3.47Å; D811-K817 IonicContact OD2-NZ 3.04Å; D813-K817 PolarHBondContact O-N 3.16Å; D813-K817 IonicContact OD1-NZ 3.61Å; D813-K817 PolarHBondContact OD1-NZ 3.47Å; D813-K817 WeakPolarHBondContact OD2-CE 3.41Å; D813-K817 IonicContact OD2-NZ 2.72Å; D813-K817 PolarHBondContact OD2-NZ 2.8Å
818P92.4Very high84.6Confident98 Ų9864.4 Ų64.464%0.63635%0.348SS*.PPolyproline II helixtrans-66.7164.3171.430.3-35.3000111.3
819P93.1Very high84.5Confident29 Ų2967 Ų6719%0.18838%0.377CS..PPolyproline II helixtrans-56.8141.8173.6-21.334.1000111.2T345 A615 I617T345-P819 WeakPolarHBondContact O-CG 3.21Å; A615-P819 WeakPolarHBondContact O-CD 3.46Å; I617-P819 HydrophobicContact CG1-CG 4.07Å
820R88.3Confident84.7Confident36 Ų3668.6 Ų68.614%0.13638%0.376CS..PPolyproline II helixtrans-64.7140.6177.2-170.9-175.868.997-10.4109.9E340 C344 Y752 A822 E824E340-R820 IonicContact OE1-NH2 3.06Å; E340-R820 PolarHBondContact OE1-NH2 3.28Å; C344-R820 PolarHBondContact SG-NE 3.37Å; C344-R820 VanDerWaalsContact SG-NE 3.41Å; Y752-R820 VanDerWaalsContact CZ-NE 3.31Å; Y752-R820 WeakPolarHBondContact OH-CD 3.05Å; Y752-R820 VanDerWaalsContact OH-CZ 3.28Å; Y752-R820 PolarHBondContact OH-NE 3.29Å; Y752-R820 PolarHBondContact OH-NH1 2.91Å; R820-A822 PolarHBondContact O-N 2.93Å; R820-E824 HydrophobicContact CG-CB 4.35Å; R820-E824 WeakPolarHBondContact CG-OE2 3.4Å; R820-E824 PolarHBondContact NH1-O 3.17Å
821N87.1Confident84.7Confident101 Ų10165.8 Ų65.854%0.5436%0.357SS..PPolyproline II helixtrans-69.7125.6168.5-170.4-40.8000109.7K823 E824N821-K823 PolarHBondContact O-N 3.06Å; N821-K823 VanDerWaalsContact O-N 3.09Å; N821-K823 WeakPolarHBondContact OD1-CB 3.3Å; N821-K823 PolarHBondContact OD1-N 2.89Å; N821-E824 VanDerWaalsContact O-CB 3.29Å; N821-E824 WeakPolarHBondContact O-CB 3.5Å; N821-E824 PolarHBondContact O-N 3.42Å
822A82.3Confident85.1Confident22 Ų2268.8 Ų68.818%0.18237%0.368CS..THydrogen-bonded Turntrans-55.3-29.5178.900000113.1P248 I695 R820 E824P248-A822 HydrophobicContact CB-CB 4.33Å; P248-A822 HydrophobicContact CG-CB 4.34Å; I695-A822 HydrophobicContact CD1-CB 4.06Å; I695-A822 HydrophobicContact CG1-CB 4.33Å; R820-A822 PolarHBondContact O-N 2.93Å; A822-E824 VanDerWaalsContact C-N 3.32Å; A822-E824 PolarHBondContact O-N 3.01Å
823K82.6Confident85.8Confident119 Ų11965 Ų6552%0.51734%0.344SS..THydrogen-bonded Turntrans-81.2-5.4179.4-63175.5179.7167.70113.7D693 N821D693-K823 WeakPolarHBondContact OD1-CE 3.41Å; D693-K823 IonicContact OD1-NZ 3.42Å; D693-K823 PolarHBondContact OD1-NZ 3.14Å; D693-K823 IonicContact OD2-NZ 2.9Å; D693-K823 PolarHBondContact OD2-NZ 3.12Å; N821-K823 PolarHBondContact O-N 3.06Å; N821-K823 VanDerWaalsContact O-N 3.09Å; N821-K823 WeakPolarHBondContact OD1-CB 3.3Å; N821-K823 PolarHBondContact OD1-N 2.89Å
824E82.6Confident86.2Confident67 Ų6762.3 Ų62.331%0.31333%0.329SS..  trans-60.3127177.5-171.3-169.5151.200110.4K756 R820 N821 A822K756-E824 IonicContact NZ-OE1 3.05Å; K756-E824 PolarHBondContact NZ-OE1 3.46Å; R820-E824 HydrophobicContact CG-CB 4.35Å; R820-E824 WeakPolarHBondContact CG-OE2 3.4Å; R820-E824 PolarHBondContact NH1-O 3.17Å; N821-E824 VanDerWaalsContact O-CB 3.29Å; N821-E824 WeakPolarHBondContact O-CB 3.5Å; N821-E824 PolarHBondContact O-N 3.42Å; A822-E824 VanDerWaalsContact C-N 3.32Å; A822-E824 PolarHBondContact O-N 3.01Å
825P82.6Confident86.1Confident59 Ų5962.3 Ų62.338%0.38333%0.328SS..  trans-72.6149.8176.431.4-37.2000111.9I827P825-I827 VanDerWaalsContact C-N 3.28Å; P825-I827 PolarHBondContact O-N 3.01Å
826L79.2Confident86Confident15 Ų1565.5 Ų65.58%0.07935%0.345CS..SBendtrans-62.1-36.8176.1-69.4167.4000112.2L249 K252 K756 I759L249-L826 HydrophobicContact CD1-CD2 4.36Å; K252-L826 HydrophobicContact CB-CD1 4.08Å; K252-L826 HydrophobicContact CB-CG 4.31Å; K756-L826 WeakPolarHBondContact CE-O 3.45Å; K756-L826 HydrophobicContact CG-CD2 4.35Å; I759-L826 HydrophobicContact CG2-CD1 4.48Å
827I79.8Confident86.2Confident41 Ų4159.6 Ų59.621%0.2132%0.323CS..SBendtrans-130.4126.4-179-51.4176.4000108.7I763 P825 F832 Y835I763-I827 HydrophobicContact CD1-CD1 4.05Å; I763-I827 HydrophobicContact CG2-CD1 4.09Å; P825-I827 VanDerWaalsContact C-N 3.28Å; P825-I827 PolarHBondContact O-N 3.01Å; I827-F832 HydrophobicContact CG2-CB 3.82Å; I827-F832 HydrophobicContact CG2-CD2 4.11Å; I827-F832 HydrophobicContact CG2-CG 4.49Å; I827-Y835 HydrophobicContact CG2-CD2 4.33Å
828S81Confident86.5Confident63 Ų6355.7 Ų55.744%0.44131%0.306SS..  trans-146149.8177.8590000114.2W830 L831S828-W830 PolarHBondContact O-N 3.05Å; S828-W830 VanDerWaalsContact O-N 3.13Å; S828-L831 WeakPolarHBondContact O-CB 3.44Å; S828-L831 PolarHBondContact O-N 3.3Å
829G86.1Confident86.5Confident63 Ų6351 Ų5165%0.64928%0.276SS*.Hα-helixtrans49.9-111.916700000114.5L831 F832 F833G829-L831 VanDerWaalsContact C-N 3.31Å; G829-L831 PolarHBondContact O-N 3.25Å; G829-F832 PolarHBondContact O-N 3.42Å; G829-F833 PolarHBondContact O-N 3.11Å
830W87.3Confident86.6Confident82 Ų8251 Ų5131%0.31128%0.281SS..Hα-helixtrans-60.8-38.8179.7176.5-109.4000113.1S828 F832 F833 R834 L982 A985 L990S828-W830 PolarHBondContact O-N 3.05Å; S828-W830 VanDerWaalsContact O-N 3.13Å; W830-F832 VanDerWaalsContact C-N 3.33Å; W830-F832 PolarHBondContact O-N 3.48Å; W830-F833 HydrophobicContact CE3-CD1 4.08Å; W830-F833 HydrophobicContact CH2-CD1 4.21Å; W830-F833 HydrophobicContact CH2-CE1 4.24Å; W830-F833 AromaticContact CZ3-CD1 3.78Å; W830-F833 HydrophobicContact CZ3-CD1 3.78Å; W830-F833 HydrophobicContact CZ3-CE1 4.06Å; W830-F833 PolarHBondContact O-N 3.48Å; W830-R834 PolarHBondContact O-N 2.87Å; W830-L982 HydrophobicContact CH2-CD2 4.15Å; W830-L982 HydrophobicContact CZ2-CB 4.48Å; W830-L982 HydrophobicContact CZ2-CD2 4.05Å; W830-A985 HydrophobicContact CH2-CB 4.25Å; W830-A985 HydrophobicContact CZ2-CB 3.96Å; W830-L990 HydrophobicContact CB-CD1 4.24Å; W830-L990 HydrophobicContact CD2-CD1 3.31Å; W830-L990 HydrophobicContact CE3-CD1 3.69Å; W830-L990 HydrophobicContact CG-CD1 3.55Å; W830-L990 HydrophobicContact CH2-CD1 4.39Å; W830-L990 HydrophobicContact CZ2-CD1 4.09Å; W830-L990 HydrophobicContact CZ3-CD1 4.21Å
831L84.3Confident87Confident11 Ų1152.2 Ų52.26%0.05829%0.286CS..Hα-helixtrans-68.2-37.6-177.1-170.568.6000111.4R760 S828 G829 R834 Y835R760-L831 VanDerWaalsContact CZ-CD2 3.44Å; R760-L831 VanDerWaalsContact NE-CD2 3.34Å; S828-L831 WeakPolarHBondContact O-CB 3.44Å; S828-L831 PolarHBondContact O-N 3.3Å; G829-L831 VanDerWaalsContact C-N 3.31Å; G829-L831 PolarHBondContact O-N 3.25Å; L831-R834 PolarHBondContact O-N 3.42Å; L831-Y835 HydrophobicContact CD1-CD2 4.41Å; L831-Y835 HydrophobicContact CD1-CE2 3.55Å; L831-Y835 WeakPolarHBondContact CD1-OH 3.29Å; L831-Y835 HydrophobicContact CD2-CE2 3.93Å; L831-Y835 HydrophobicContact CG-CD2 4.05Å; L831-Y835 HydrophobicContact CG-CE2 3.4Å; L831-Y835 VanDerWaalsContact CG-CE2 3.4Å; L831-Y835 WeakPolarHBondContact O-CD2 3.42Å; L831-Y835 PolarHBondContact O-N 3.27Å; L831-Y835 VanDerWaalsContact O-N 3.16Å
832F86.5Confident87.4Confident121 Ų12147.4 Ų47.453%0.53126%0.26SS..Hα-helixtrans-59.5-47.7172.4179.6-101.4000111.4I827 G829 W830 R834 Y835 L836I827-F832 HydrophobicContact CG2-CB 3.82Å; I827-F832 HydrophobicContact CG2-CD2 4.11Å; I827-F832 HydrophobicContact CG2-CG 4.49Å; G829-F832 PolarHBondContact O-N 3.42Å; W830-F832 VanDerWaalsContact C-N 3.33Å; W830-F832 PolarHBondContact O-N 3.48Å; F832-R834 VanDerWaalsContact C-N 3.35Å; F832-R834 PolarHBondContact O-N 2.9Å; F832-Y835 PolarHBondContact O-N 3.4Å; F832-L836 WeakPolarHBondContact O-CB 3.32Å; F832-L836 PolarHBondContact O-N 2.96Å
833F90.8Very high88Confident107 Ų10746.3 Ų46.347%0.46925%0.251SS..Hα-helixtrans-60.7-43.1177.2171.1-100.8000112.4G829 W830 Y835 L836 A837 L982G829-F833 PolarHBondContact O-N 3.11Å; W830-F833 HydrophobicContact CE3-CD1 4.08Å; W830-F833 HydrophobicContact CH2-CD1 4.21Å; W830-F833 HydrophobicContact CH2-CE1 4.24Å; W830-F833 AromaticContact CZ3-CD1 3.78Å; W830-F833 HydrophobicContact CZ3-CD1 3.78Å; W830-F833 HydrophobicContact CZ3-CE1 4.06Å; W830-F833 PolarHBondContact O-N 3.48Å; F833-Y835 VanDerWaalsContact C-N 3.35Å; F833-Y835 PolarHBondContact O-N 3.34Å; F833-L836 PolarHBondContact O-N 3.35Å; F833-A837 PolarHBondContact O-N 2.89Å; F833-L982 HydrophobicContact CE1-CD2 4.37Å
834R90.6Very high88.6Confident4 Ų443.1 Ų43.12%0.01525%0.247CC..Hα-helixtrans-57.5-46.8178.7173.5171.6173.4-155.5-9.9111.8W830 L831 F832 A837 I838 E916 D979 L982 K983W830-R834 PolarHBondContact O-N 2.87Å; L831-R834 PolarHBondContact O-N 3.42Å; F832-R834 VanDerWaalsContact C-N 3.35Å; F832-R834 PolarHBondContact O-N 2.9Å; R834-A837 WeakPolarHBondContact O-CB 3.48Å; R834-A837 PolarHBondContact O-N 3.43Å; R834-I838 HydrophobicContact CG-CD1 4.04Å; R834-I838 WeakPolarHBondContact O-CG1 3.17Å; R834-I838 PolarHBondContact O-N 2.87Å; R834-E916 PolarHBondContact NH1-O 3.13Å; R834-D979 IonicContact CZ-OD1 3.12Å; R834-D979 IonicContact CZ-OD2 3.74Å; R834-D979 IonicContact NE-OD1 2.66Å; R834-D979 PolarHBondContact NE-OD1 2.97Å; R834-D979 IonicContact NH2-OD1 2.81Å; R834-D979 PolarHBondContact NH2-OD1 3.03Å; R834-D979 IonicContact NH2-OD2 2.74Å; R834-D979 PolarHBondContact NH2-OD2 3.29Å; R834-L982 HydrophobicContact CB-CD1 4.43Å; R834-L982 HydrophobicContact CG-CB 4.18Å; R834-L982 HydrophobicContact CG-CD1 3.86Å; R834-K983 VanDerWaalsContact NH2-CG 3.32Å
835Y84.3Confident89.3Confident10 Ų1040.2 Ų40.24%0.03923%0.234CC..Hα-helixtrans-72.2-32.4178-61.7-44.4000113.2R760 I827 L831 F832 F833 A837 I838 G839R760-Y835 HydrophobicContact CB-CE2 3.73Å; R760-Y835 WeakPolarHBondContact CB-OH 3.28Å; R760-Y835 WeakPolarHBondContact CD-OH 3.45Å; R760-Y835 HydrophobicContact CG-CE2 3.72Å; I827-Y835 HydrophobicContact CG2-CD2 4.33Å; L831-Y835 HydrophobicContact CD1-CD2 4.41Å; L831-Y835 HydrophobicContact CD1-CE2 3.55Å; L831-Y835 WeakPolarHBondContact CD1-OH 3.29Å; L831-Y835 HydrophobicContact CD2-CE2 3.93Å; L831-Y835 HydrophobicContact CG-CD2 4.05Å; L831-Y835 HydrophobicContact CG-CE2 3.4Å; L831-Y835 VanDerWaalsContact CG-CE2 3.4Å; L831-Y835 WeakPolarHBondContact O-CD2 3.42Å; L831-Y835 PolarHBondContact O-N 3.27Å; L831-Y835 VanDerWaalsContact O-N 3.16Å; F832-Y835 PolarHBondContact O-N 3.4Å; F833-Y835 VanDerWaalsContact C-N 3.35Å; F833-Y835 PolarHBondContact O-N 3.34Å; Y835-A837 VanDerWaalsContact C-N 3.27Å; Y835-A837 PolarHBondContact O-N 3.02Å; Y835-I838 HydrophobicContact CD1-CD1 4.22Å; Y835-I838 PolarHBondContact O-N 2.94Å; Y835-G839 PolarHBondContact O-N 2.82Å
836L88.9Confident89.9Confident91 Ų9137.4 Ų37.448%0.47622%0.216SC..Hα-helixtrans-62.6-37.1171.1-167.969.8000111.6V767 F832 F833 G840V767-L836 HydrophobicContact CG1-CD1 4.46Å; F832-L836 WeakPolarHBondContact O-CB 3.32Å; F832-L836 PolarHBondContact O-N 2.96Å; F833-L836 PolarHBondContact O-N 3.35Å; L836-G840 WeakPolarHBondContact O-CA 3.37Å; L836-G840 PolarHBondContact O-N 3.5Å
837A93.6Very high90.7Very high31 Ų3137.1 Ų37.126%0.25622%0.215SC..Hα-helixtrans-69.5-42.5176.100000112.4F833 R834 Y835 Y841 L982F833-A837 PolarHBondContact O-N 2.89Å; R834-A837 WeakPolarHBondContact O-CB 3.48Å; R834-A837 PolarHBondContact O-N 3.43Å; Y835-A837 VanDerWaalsContact C-N 3.27Å; Y835-A837 PolarHBondContact O-N 3.02Å; A837-Y841 WeakPolarHBondContact O-CB 3.37Å; A837-Y841 PolarHBondContact O-N 2.95Å; A837-L982 HydrophobicContact CB-CD1 4.33Å
838I93.6Very high91.4Very high0 Ų036.7 Ų36.70%022%0.221CC..Hα-helixtrans-67.7-50.5177.2-64.4166.6000110.5R834 Y835 G840 Y841 V842 V975 D979R834-I838 HydrophobicContact CG-CD1 4.04Å; R834-I838 WeakPolarHBondContact O-CG1 3.17Å; R834-I838 PolarHBondContact O-N 2.87Å; Y835-I838 HydrophobicContact CD1-CD1 4.22Å; Y835-I838 PolarHBondContact O-N 2.94Å; I838-G840 VanDerWaalsContact C-N 3.32Å; I838-G840 PolarHBondContact O-N 3.48Å; I838-Y841 CarbonylContact O-C 3Å; I838-Y841 WeakPolarHBondContact O-CA 3.39Å; I838-Y841 VanDerWaalsContact O-CB 3.3Å; I838-Y841 WeakPolarHBondContact O-CB 3.21Å; I838-Y841 PolarHBondContact O-N 2.96Å; I838-V842 HydrophobicContact CG2-CG2 4.29Å; I838-V842 WeakPolarHBondContact O-CG2 3.25Å; I838-V842 PolarHBondContact O-N 3.4Å; I838-V975 HydrophobicContact CG2-CG2 4.08Å; I838-D979 HydrophobicContact CD1-CB 4.34Å; I838-D979 VanDerWaalsContact CD1-OD1 3.26Å; I838-D979 WeakPolarHBondContact CD1-OD1 3.3Å
839G92.5Very high92.1Very high0 Ų033.7 Ų33.70%020%0.2CC..Hα-helixtrans-60.2-41.2175.900000112G768 Y835 Y841 V842 G843G768-G839 VanDerWaalsContact CA-O 3.29Å; G768-G839 WeakPolarHBondContact CA-O 3.49Å; Y835-G839 PolarHBondContact O-N 2.82Å; G839-Y841 VanDerWaalsContact C-N 3.28Å; G839-Y841 PolarHBondContact O-N 3.15Å; G839-V842 PolarHBondContact O-N 3.49Å; G839-G843 PolarHBondContact O-N 3.46Å
840G94.4Very high92.5Very high28 Ų2831 Ų3129%0.28917%0.172SC..Hα-helixtrans-58-39.917200000113.1L836 I838 A844L836-G840 WeakPolarHBondContact O-CA 3.37Å; L836-G840 PolarHBondContact O-N 3.5Å; I838-G840 VanDerWaalsContact C-N 3.32Å; I838-G840 PolarHBondContact O-N 3.48Å; G840-A844 WeakPolarHBondContact O-CB 3.45Å; G840-A844 PolarHBondContact O-N 2.88Å; G840-A844 VanDerWaalsContact O-N 3.1Å
841Y96.5Very high92.8Very high61 Ų6127.7 Ų27.724%0.23916%0.161CC..Hα-helixtrans-65.7-46.8173.6-179.6-96.7000112.1A837 I838 G839 G843 A844 A845 I905 I971 P974 V975 L978A837-Y841 WeakPolarHBondContact O-CB 3.37Å; A837-Y841 PolarHBondContact O-N 2.95Å; I838-Y841 CarbonylContact O-C 3Å; I838-Y841 WeakPolarHBondContact O-CA 3.39Å; I838-Y841 VanDerWaalsContact O-CB 3.3Å; I838-Y841 WeakPolarHBondContact O-CB 3.21Å; I838-Y841 PolarHBondContact O-N 2.96Å; G839-Y841 VanDerWaalsContact C-N 3.28Å; G839-Y841 PolarHBondContact O-N 3.15Å; Y841-G843 PolarHBondContact O-N 2.97Å; Y841-A844 PolarHBondContact O-N 3.44Å; Y841-A845 HydrophobicContact CE1-CB 4.38Å; Y841-A845 WeakPolarHBondContact O-CB 3.41Å; Y841-A845 PolarHBondContact O-N 3.46Å; Y841-I905 HydrophobicContact CD1-CD1 4.26Å; Y841-I905 HydrophobicContact CE1-CD1 3.97Å; Y841-I971 PolarHBondContact OH-O 2.95Å; Y841-P974 WeakPolarHBondContact OH-CB 3.43Å; Y841-V975 HydrophobicContact CD1-CB 4.14Å; Y841-V975 HydrophobicContact CD1-CG2 4.12Å; Y841-V975 HydrophobicContact CE1-CB 3.96Å; Y841-V975 HydrophobicContact CE1-CG2 4.45Å; Y841-L978 HydrophobicContact CD2-CD2 4.42Å; Y841-L978 HydrophobicContact CG-CD2 4.12Å
842V95.5Very high93.3Very high0 Ų029.4 Ų29.40%017%0.167CC..Hα-helixtrans-57.9-49.5178.3-179.30000110.6I838 G839 A844 A845 T846 L902 I905I838-V842 HydrophobicContact CG2-CG2 4.29Å; I838-V842 WeakPolarHBondContact O-CG2 3.25Å; I838-V842 PolarHBondContact O-N 3.4Å; G839-V842 PolarHBondContact O-N 3.49Å; V842-A844 PolarHBondContact O-N 3.06Å; V842-A845 PolarHBondContact O-N 3.34Å; V842-T846 HydrophobicContact CG1-CG2 4.41Å; V842-T846 WeakPolarHBondContact O-CB 3.39Å; V842-T846 WeakPolarHBondContact O-CG2 3.39Å; V842-T846 PolarHBondContact O-N 2.85Å; V842-T846 PolarHBondContact O-OG1 3.33Å; V842-L902 HydrophobicContact CG1-CD1 3.54Å; V842-I905 HydrophobicContact CB-CG2 4.44Å; V842-I905 HydrophobicContact CG1-CG2 4.43Å; V842-I905 HydrophobicContact CG2-CG2 3.51Å
843G94.6Very high93.7Very high0 Ų024.2 Ų24.20%014%0.144CC..Hα-helixtrans-63.5-41.1179.900000113G768 G839 Y841 T846 V847G768-G843 WeakPolarHBondContact O-CA 3.32Å; G839-G843 PolarHBondContact O-N 3.46Å; Y841-G843 PolarHBondContact O-N 2.97Å; G843-T846 WeakPolarHBondContact CA-OG1 3.47Å; G843-T846 PolarHBondContact O-OG1 2.79Å; G843-V847 VanDerWaalsContact O-CG2 3.23Å; G843-V847 WeakPolarHBondContact O-CG2 3.47Å; G843-V847 PolarHBondContact O-N 3.14Å
844A95.8Very high93.8Very high51 Ų5119.4 Ų19.442%0.42112%0.123SC..Hα-helixtrans-69.8-36.5175.300000112.7L775 G840 Y841 V842 G848L775-A844 HydrophobicContact CD1-CB 4.41Å; G840-A844 WeakPolarHBondContact O-CB 3.45Å; G840-A844 PolarHBondContact O-N 2.88Å; G840-A844 VanDerWaalsContact O-N 3.1Å; Y841-A844 PolarHBondContact O-N 3.44Å; V842-A844 PolarHBondContact O-N 3.06Å; A844-G848 WeakPolarHBondContact O-CA 3.41Å; A844-G848 PolarHBondContact O-N 3.3Å
845A96.7Very high93.9Very high6 Ų620.9 Ų20.95%0.0513%0.133CC..Hα-helixtrans-68.8-42-179.900000112.1Y841 V842 G848 A849 V901 I905 I971Y841-A845 HydrophobicContact CE1-CB 4.38Å; Y841-A845 WeakPolarHBondContact O-CB 3.41Å; Y841-A845 PolarHBondContact O-N 3.46Å; V842-A845 PolarHBondContact O-N 3.34Å; A845-G848 PolarHBondContact O-N 2.82Å; A845-A849 VanDerWaalsContact O-CB 3.29Å; A845-A849 WeakPolarHBondContact O-CB 3.14Å; A845-A849 PolarHBondContact O-N 3.12Å; A845-V901 HydrophobicContact CB-CG1 3.94Å; A845-I905 HydrophobicContact CB-CD1 3.7Å; A845-I971 HydrophobicContact CB-CD1 4.09Å; A845-I971 HydrophobicContact CB-CG1 3.98Å; A845-I971 WeakPolarHBondContact O-CD1 3.23Å
846T96.1Very high94.2Very high1 Ų124.9 Ų24.91%0.00616%0.158CC..Hα-helixtrans-65.4-52.1177.746.60000111.6C772 V842 G843 G848 A849 A850 V901 L902C772-T846 WeakPolarHBondContact CB-OG1 3.26Å; C772-T846 PolarHBondContact SG-OG1 2.84Å; V842-T846 HydrophobicContact CG1-CG2 4.41Å; V842-T846 WeakPolarHBondContact O-CB 3.39Å; V842-T846 WeakPolarHBondContact O-CG2 3.39Å; V842-T846 PolarHBondContact O-N 2.85Å; V842-T846 PolarHBondContact O-OG1 3.33Å; G843-T846 WeakPolarHBondContact CA-OG1 3.47Å; G843-T846 PolarHBondContact O-OG1 2.79Å; T846-G848 VanDerWaalsContact C-N 3.31Å; T846-G848 PolarHBondContact O-N 3.16Å; T846-A849 PolarHBondContact O-N 3.17Å; T846-A850 PolarHBondContact O-N 3.48Å; T846-A850 VanDerWaalsContact O-N 3.13Å; T846-V901 HydrophobicContact CG2-CG1 4.18Å; T846-L902 HydrophobicContact CG2-CB 3.84Å; T846-L902 HydrophobicContact CG2-CD1 4.47Å
847V95.6Very high94.2Very high9 Ų920.7 Ų20.76%0.05514%0.136CC..Hα-helixtrans-59.6-43.2174.2177.90000110.9C772 L775 T776 F781 G843 A849 A850 A851C772-V847 HydrophobicContact CB-CG2 4.4Å; C772-V847 WeakPolarHBondContact O-CG2 3.31Å; L775-V847 HydrophobicContact CB-CG2 3.92Å; T776-V847 WeakPolarHBondContact OG1-CG2 3.47Å; F781-V847 HydrophobicContact CD2-CG1 3.97Å; F781-V847 HydrophobicContact CE2-CG1 4.34Å; G843-V847 VanDerWaalsContact O-CG2 3.23Å; G843-V847 WeakPolarHBondContact O-CG2 3.47Å; G843-V847 PolarHBondContact O-N 3.14Å; V847-A849 VanDerWaalsContact C-N 3.32Å; V847-A849 PolarHBondContact O-N 3.27Å; V847-A850 PolarHBondContact O-N 2.97Å; V847-A851 WeakPolarHBondContact O-CB 3.34Å; V847-A851 PolarHBondContact O-N 2.91Å
848G95.3Very high93.8Very high32 Ų3227.5 Ų27.533%0.3316%0.163SC..Hα-helixtrans-62.3-36.8178.900000113.2A844 A845 T846 W852A844-G848 WeakPolarHBondContact O-CA 3.41Å; A844-G848 PolarHBondContact O-N 3.3Å; A845-G848 PolarHBondContact O-N 2.82Å; T846-G848 VanDerWaalsContact C-N 3.31Å; T846-G848 PolarHBondContact O-N 3.16Å; G848-W852 WeakPolarHBondContact O-CB 3.29Å; G848-W852 PolarHBondContact O-N 3.48Å
849A95.7Very high93.3Very high0 Ų032.3 Ų32.30%019%0.188CC..Hα-helixtrans-71.4-40.2177.300000112.7A845 T846 V847 W852 W853 M897 V901 I971A845-A849 VanDerWaalsContact O-CB 3.29Å; A845-A849 WeakPolarHBondContact O-CB 3.14Å; A845-A849 PolarHBondContact O-N 3.12Å; T846-A849 PolarHBondContact O-N 3.17Å; V847-A849 VanDerWaalsContact C-N 3.32Å; V847-A849 PolarHBondContact O-N 3.27Å; A849-W852 PolarHBondContact O-N 2.85Å; A849-W853 PolarHBondContact O-N 3.29Å; A849-M897 HydrophobicContact CB-CB 4.41Å; A849-V901 HydrophobicContact CB-CB 4.36Å; A849-V901 HydrophobicContact CB-CG2 3.66Å; A849-I971 HydrophobicContact CB-CD1 4.45Å
850A94.5Very high93Very high7 Ų733 Ų336%0.05820%0.196CC..Hα-helixtrans-63-48.717200000111.2A784 T846 V847 W852 W853 F854 P894 A898A784-A850 HydrophobicContact CB-CB 4.17Å; T846-A850 PolarHBondContact O-N 3.48Å; T846-A850 VanDerWaalsContact O-N 3.13Å; V847-A850 PolarHBondContact O-N 2.97Å; A850-W852 VanDerWaalsContact C-N 3.28Å; A850-W852 PolarHBondContact O-N 2.85Å; A850-W853 WeakPolarHBondContact O-CB 3.38Å; A850-W853 PolarHBondContact O-N 2.94Å; A850-W853 VanDerWaalsContact O-N 3.15Å; A850-F854 WeakPolarHBondContact O-CD2 2.96Å; A850-F854 PolarHBondContact O-N 3.27Å; A850-P894 HydrophobicContact CB-CB 4.12Å; A850-A898 HydrophobicContact CB-CB 4.28Å
851A93.9Very high92.6Very high12 Ų1233.6 Ų33.610%0.09920%0.195CC..Hα-helixtrans-63.1-33.9177.700000112.6F781 V847 W853 F854 T855 L868F781-A851 HydrophobicContact CD2-CB 4.46Å; F781-A851 HydrophobicContact CE2-CB 4.08Å; V847-A851 WeakPolarHBondContact O-CB 3.34Å; V847-A851 PolarHBondContact O-N 2.91Å; A851-W853 VanDerWaalsContact C-N 3.31Å; A851-W853 PolarHBondContact O-N 2.88Å; A851-F854 PolarHBondContact O-N 2.92Å; A851-T855 WeakPolarHBondContact O-CB 3.45Å; A851-T855 WeakPolarHBondContact O-CG2 3.36Å; A851-T855 PolarHBondContact O-N 2.93Å; A851-T855 PolarHBondContact O-OG1 3.41Å; A851-L868 HydrophobicContact CB-CD2 4.01Å
852W95Very high92.3Very high47 Ų4736.4 Ų36.418%0.17821%0.21CC..Hα-helixtrans-60.6-39.9175173.384.6000111.9G848 A849 A850 F854 T855 V856 S857 M897 M967G848-W852 WeakPolarHBondContact O-CB 3.29Å; G848-W852 PolarHBondContact O-N 3.48Å; A849-W852 PolarHBondContact O-N 2.85Å; A850-W852 VanDerWaalsContact C-N 3.28Å; A850-W852 PolarHBondContact O-N 2.85Å; W852-F854 VanDerWaalsContact C-N 3.34Å; W852-F854 PolarHBondContact O-N 3.27Å; W852-T855 PolarHBondContact O-N 3.25Å; W852-V856 PolarHBondContact O-N 3.33Å; W852-S857 PolarHBondContact O-N 2.91Å; W852-M897 HydrophobicContact CE3-CE 3.8Å; W852-M897 HydrophobicContact CZ3-CE 3.75Å; W852-M967 HydrophobicContact CD2-CE 4.26Å; W852-M967 HydrophobicContact CD2-CG 3.91Å; W852-M967 HydrophobicContact CE3-CG 4.05Å; W852-M967 HydrophobicContact CG-CE 3.92Å; W852-M967 HydrophobicContact CH2-CB 4.17Å; W852-M967 HydrophobicContact CH2-CG 4.23Å; W852-M967 HydrophobicContact CZ2-CB 4.32Å; W852-M967 HydrophobicContact CZ2-CG 4.08Å; W852-M967 HydrophobicContact CZ3-CB 4.34Å; W852-M967 HydrophobicContact CZ3-CG 4.2Å
853W94.6Very high92Very high11 Ų1137 Ų374%0.04221%0.213CC..Hα-helixtrans-62-42.7176.2-175.486.2000111.7A849 A850 A851 S857 P861 V888 S891 Y893 P894A849-W853 PolarHBondContact O-N 3.29Å; A850-W853 WeakPolarHBondContact O-CB 3.38Å; A850-W853 PolarHBondContact O-N 2.94Å; A850-W853 VanDerWaalsContact O-N 3.15Å; A851-W853 VanDerWaalsContact C-N 3.31Å; A851-W853 PolarHBondContact O-N 2.88Å; W853-S857 WeakPolarHBondContact O-CB 3.5Å; W853-P861 HydrophobicContact CZ3-CG 4.41Å; W853-V888 HydrophobicContact CH2-CG2 4Å; W853-V888 HydrophobicContact CZ3-CG2 4.22Å; W853-S891 WeakPolarHBondContact CH2-OG 3.42Å; W853-Y893 VanDerWaalsContact CE2-CB 3.42Å; W853-Y893 HydrophobicContact CZ2-CD2 4.06Å; W853-Y893 HydrophobicContact CZ2-CG 4.03Å; W853-Y893 AromaticContact NE1-CG 3.89Å; W853-P894 HydrophobicContact CE3-CB 4.09Å; W853-P894 HydrophobicContact CE3-CG 3.96Å; W853-P894 HydrophobicContact CZ3-CG 4.22Å
854F92.4Very high91.8Very high6 Ų640.7 Ų40.73%0.02624%0.235CC..Hα-helixtrans-67.8-37.9178.4-77-69.2000113.9P782 A850 A851 W852 P861 Q862 I863 L868 F889 P894P782-F854 HydrophobicContact CB-CZ 4.49Å; P782-F854 HydrophobicContact CG-CE2 4.23Å; P782-F854 HydrophobicContact CG-CZ 4.18Å; A850-F854 WeakPolarHBondContact O-CD2 2.96Å; A850-F854 PolarHBondContact O-N 3.27Å; A851-F854 PolarHBondContact O-N 2.92Å; W852-F854 VanDerWaalsContact C-N 3.34Å; W852-F854 PolarHBondContact O-N 3.27Å; F854-P861 HydrophobicContact CD1-CG 3.99Å; F854-Q862 WeakPolarHBondContact O-CA 3.46Å; F854-Q862 PolarHBondContact O-N 2.66Å; F854-I863 HydrophobicContact CB-CD1 4.19Å; F854-I863 HydrophobicContact CB-CG1 4.07Å; F854-I863 HydrophobicContact CD1-CD1 4.07Å; F854-I863 HydrophobicContact CG-CD1 4.43Å; F854-I863 WeakPolarHBondContact O-CG1 3.36Å; F854-I863 PolarHBondContact O-N 3.22Å; F854-L868 HydrophobicContact CB-CD1 4Å; F854-L868 HydrophobicContact CB-CD2 4.31Å; F854-L868 HydrophobicContact CD1-CD1 4.18Å; F854-L868 HydrophobicContact CD2-CD1 3.6Å; F854-L868 HydrophobicContact CE2-CD1 4.04Å; F854-L868 HydrophobicContact CG-CD1 3.67Å; F854-F889 HydrophobicContact CD1-CD1 4.44Å; F854-F889 AromaticContact CE1-CD1 3.84Å; F854-F889 HydrophobicContact CE1-CD1 3.84Å; F854-F889 HydrophobicContact CE1-CE1 4.35Å; F854-F889 HydrophobicContact CZ-CD1 4.24Å; F854-P894 HydrophobicContact CD2-CB 4.14Å; F854-P894 HydrophobicContact CE2-CB 3.54Å; F854-P894 HydrophobicContact CE2-CG 3.66Å; F854-P894 HydrophobicContact CZ-CB 4.09Å; F854-P894 HydrophobicContact CZ-CG 3.66Å
855T91.8Very high91.4Very high36 Ų3643.5 Ų43.522%0.22124%0.243CC..Hα-helixtrans-103.5-35.5-164.555.70000114.3A851 W852 I863 L865 L868A851-T855 WeakPolarHBondContact O-CB 3.45Å; A851-T855 WeakPolarHBondContact O-CG2 3.36Å; A851-T855 PolarHBondContact O-N 2.93Å; A851-T855 PolarHBondContact O-OG1 3.41Å; W852-T855 PolarHBondContact O-N 3.25Å; T855-I863 WeakPolarHBondContact CG2-O 3.3Å; T855-L865 HydrophobicContact CG2-CD2 4.01Å; T855-L868 HydrophobicContact CG2-CD2 4.37Å
856V90.8Very high90.9Very high93 Ų9349 Ų4956%0.56426%0.263SS*.THydrogen-bonded Turntrans-124.1-24.7-167178.90000113.1W852W852-V856 PolarHBondContact O-N 3.33Å
857S90.1Very high90.4Very high3 Ų351 Ų512%0.02127%0.272CS..  trans-60.3141.5-177.7-175.20000112.5W852 W853 D859 G860 Q862W852-S857 PolarHBondContact O-N 2.91Å; W853-S857 WeakPolarHBondContact O-CB 3.5Å; S857-D859 VanDerWaalsContact C-N 3.3Å; S857-D859 PolarHBondContact OG-N 2.79Å; S857-G860 PolarHBondContact O-N 3.27Å; S857-Q862 WeakPolarHBondContact O-CG 3.2Å; S857-Q862 PolarHBondContact O-NE2 3.32Å
858E84.2Confident90Very high175 Ų17550.6 Ų50.682%0.81827%0.27SS*.THydrogen-bonded Turntrans-67.6-33175.7-67.5-176.8176.600111.7G860E858-G860 VanDerWaalsContact C-N 3.31Å
859D83.6Confident89.6Confident100 Ų10050.7 Ų50.754%0.53527%0.266SS..THydrogen-bonded Turntrans-88-0.5178.2-50.1-49.9000113S857S857-D859 VanDerWaalsContact C-N 3.3Å; S857-D859 PolarHBondContact OG-N 2.79Å
860G85.9Confident89.1Confident16 Ų1653 Ų5317%0.16528%0.276CS..SBendtrans-100.2173.9-177.900000113.2S857 E858 Q862S857-G860 PolarHBondContact O-N 3.27Å; E858-G860 VanDerWaalsContact C-N 3.31Å; G860-Q862 VanDerWaalsContact C-N 3.26Å; G860-Q862 PolarHBondContact O-N 2.87Å
861P87.1Confident88.6Confident40 Ų4054.2 Ų54.226%0.2628%0.28SS..  trans-75.9-6.5-175.931.6-37.1000115W853 F854 I863 L884 V888W853-P861 HydrophobicContact CZ3-CG 4.41Å; F854-P861 HydrophobicContact CD1-CG 3.99Å; P861-I863 VanDerWaalsContact C-N 3.34Å; P861-I863 HydrophobicContact CB-CG2 4.06Å; P861-I863 HydrophobicContact CG-CG2 4.29Å; P861-I863 PolarHBondContact O-N 3.03Å; P861-L884 HydrophobicContact CB-CD1 3.97Å; P861-V888 HydrophobicContact CB-CG2 4.07Å; P861-V888 HydrophobicContact CG-CG1 4.49Å; P861-V888 HydrophobicContact CG-CG2 3.84Å
862Q89.9Confident87.8Confident120 Ų12054.6 Ų54.656%0.56128%0.28SS*.  trans51.845.7178.1-61.4-178.2-2.700114.2F854 S857 G860F854-Q862 WeakPolarHBondContact O-CA 3.46Å; F854-Q862 PolarHBondContact O-N 2.66Å; S857-Q862 WeakPolarHBondContact O-CG 3.2Å; S857-Q862 PolarHBondContact O-NE2 3.32Å; G860-Q862 VanDerWaalsContact C-N 3.26Å; G860-Q862 PolarHBondContact O-N 2.87Å
863I89.3Confident87Confident12 Ų1254.9 Ų54.96%0.06228%0.284CS..  trans-83.3162.3-178.959.2171.3000112.5F854 T855 P861 Q867 L868 L884 F889F854-I863 HydrophobicContact CB-CD1 4.19Å; F854-I863 HydrophobicContact CB-CG1 4.07Å; F854-I863 HydrophobicContact CD1-CD1 4.07Å; F854-I863 HydrophobicContact CG-CD1 4.43Å; F854-I863 WeakPolarHBondContact O-CG1 3.36Å; F854-I863 PolarHBondContact O-N 3.22Å; T855-I863 WeakPolarHBondContact CG2-O 3.3Å; P861-I863 VanDerWaalsContact C-N 3.34Å; P861-I863 HydrophobicContact CB-CG2 4.06Å; P861-I863 HydrophobicContact CG-CG2 4.29Å; P861-I863 PolarHBondContact O-N 3.03Å; I863-Q867 HydrophobicContact CB-CB 4.36Å; I863-L868 HydrophobicContact CD1-CB 4.08Å; I863-L868 HydrophobicContact CD1-CD1 4.12Å; I863-L884 HydrophobicContact CG2-CD1 3.48Å; I863-L884 VanDerWaalsContact CG2-CD1 3.48Å; I863-L884 HydrophobicContact CG2-CD2 4.25Å; I863-F889 HydrophobicContact CD1-CE1 3.45Å; I863-F889 VanDerWaalsContact CD1-CE1 3.45Å; I863-F889 HydrophobicContact CD1-CZ 3.76Å
864T89.4Confident86.1Confident77 Ų7755 Ų5547%0.47229%0.286SS..  trans-77.6155.517564.90000111.9Y866 Q867 L868T864-Y866 PolarHBondContact O-N 2.92Å; T864-Q867 PolarHBondContact O-N 3.39Å; T864-Q867 WeakPolarHBondContact OG1-CG 3.29Å; T864-Q867 PolarHBondContact OG1-N 3.46Å; T864-Q867 PolarHBondContact OG1-OE1 3.47Å; T864-L868 PolarHBondContact O-N 3.01Å
865L87.1Confident85.3Confident110 Ų11056.9 Ų56.958%0.57630%0.3SS*.Hα-helixtrans-59.6-29.8175-71.8171.6000112.8F781 T855 L868 S869F781-L865 HydrophobicContact CZ-CD2 4.06Å; T855-L865 HydrophobicContact CG2-CD2 4.01Å; L865-L868 HydrophobicContact CD2-CD2 4.49Å; L865-L868 PolarHBondContact O-N 3Å; L865-S869 PolarHBondContact O-N 3.45Å; L865-S869 PolarHBondContact O-OG 3.18Å; L865-S869 VanDerWaalsContact O-OG 3.14Å
866Y86.3Confident84.1Confident123 Ų12361.6 Ų61.648%0.48233%0.331SS..Hα-helixtrans-64.4-51.4175.2-179.3-100.9000111T864 L868 S869 H870T864-Y866 PolarHBondContact O-N 2.92Å; Y866-L868 VanDerWaalsContact C-N 3.28Å; Y866-L868 PolarHBondContact O-N 3.35Å; Y866-S869 PolarHBondContact O-N 2.82Å; Y866-S869 PolarHBondContact O-OG 2.96Å; Y866-H870 AromaticContact CE2-CE1 3.69Å; Y866-H870 AromaticContact CE2-ND1 3.89Å; Y866-H870 PolarHBondContact O-N 3.04Å; Y866-H870 VanDerWaalsContact O-N 3.14Å; Y866-H870 PolarHBondContact O-ND1 3.06Å
867Q85.6Confident83.1Confident42 Ų4264.3 Ų64.320%0.19634%0.343CS..Hα-helixtrans-59-38.6175.5-72.8164.3-34.600112.1I863 T864 H870 F871 E880 F881I863-Q867 HydrophobicContact CB-CB 4.36Å; T864-Q867 PolarHBondContact O-N 3.39Å; T864-Q867 WeakPolarHBondContact OG1-CG 3.29Å; T864-Q867 PolarHBondContact OG1-N 3.46Å; T864-Q867 PolarHBondContact OG1-OE1 3.47Å; Q867-H870 CarbonylContact O-C 3.51Å; Q867-H870 PolarHBondContact O-N 3.49Å; Q867-F871 PolarHBondContact O-N 3.35Å; Q867-E880 PolarHBondContact NE2-O 3.48Å; Q867-F881 HydrophobicContact CB-CD1 4.41Å; Q867-F881 HydrophobicContact CB-CE1 3.76Å; Q867-F881 HydrophobicContact CB-CZ 4.27Å; Q867-F881 HydrophobicContact CG-CD1 4.4Å; Q867-F881 HydrophobicContact CG-CE1 4.08Å; Q867-F881 HydrophobicContact CG-CZ 4.45Å; Q867-F881 WeakPolarHBondContact O-CE1 3.32Å; Q867-F881 WeakPolarHBondContact O-CZ 3.39Å
868L87.8Confident82.5Confident1 Ų165.7 Ų65.71%0.00535%0.35CS..Hα-helixtrans-65-43.1177.3-175.663.5000112.8F781 P782 A851 F854 T855 I863 T864 L865 Y866 H870 F889F781-L868 HydrophobicContact CD1-CB 4.49Å; F781-L868 HydrophobicContact CD1-CD2 4.09Å; F781-L868 HydrophobicContact CD1-CG 3.82Å; F781-L868 HydrophobicContact CD2-CD2 4.05Å; F781-L868 HydrophobicContact CE1-CB 4.36Å; F781-L868 HydrophobicContact CE1-CD2 3.97Å; F781-L868 HydrophobicContact CE1-CG 3.99Å; F781-L868 HydrophobicContact CE2-CD2 3.95Å; F781-L868 HydrophobicContact CG-CD2 4.13Å; F781-L868 HydrophobicContact CG-CG 4.11Å; F781-L868 HydrophobicContact CZ-CD2 3.91Å; F781-L868 HydrophobicContact CZ-CG 4.44Å; P782-L868 VanDerWaalsContact CD-CD1 3.49Å; P782-L868 HydrophobicContact CG-CD1 3.88Å; A851-L868 HydrophobicContact CB-CD2 4.01Å; F854-L868 HydrophobicContact CB-CD1 4Å; F854-L868 HydrophobicContact CB-CD2 4.31Å; F854-L868 HydrophobicContact CD1-CD1 4.18Å; F854-L868 HydrophobicContact CD2-CD1 3.6Å; F854-L868 HydrophobicContact CE2-CD1 4.04Å; F854-L868 HydrophobicContact CG-CD1 3.67Å; T855-L868 HydrophobicContact CG2-CD2 4.37Å; I863-L868 HydrophobicContact CD1-CB 4.08Å; I863-L868 HydrophobicContact CD1-CD1 4.12Å; T864-L868 PolarHBondContact O-N 3.01Å; L865-L868 HydrophobicContact CD2-CD2 4.49Å; L865-L868 PolarHBondContact O-N 3Å; Y866-L868 VanDerWaalsContact C-N 3.28Å; Y866-L868 PolarHBondContact O-N 3.35Å; L868-H870 VanDerWaalsContact C-N 3.28Å; L868-H870 PolarHBondContact O-N 3.46Å; L868-F889 HydrophobicContact CD1-CE1 4.18Å
869S85.7Confident82.2Confident34 Ų3462 Ų6224%0.23834%0.341CS..Hα-helixtrans-71.4-18177.459.20000114.9L779 G780 L865 Y866L779-S869 VanDerWaalsContact O-CB 3.28Å; L779-S869 WeakPolarHBondContact O-CB 3.43Å; G780-S869 CarbonylContact O-C 3.37Å; G780-S869 WeakPolarHBondContact O-CA 3.5Å; L865-S869 PolarHBondContact O-N 3.45Å; L865-S869 PolarHBondContact O-OG 3.18Å; L865-S869 VanDerWaalsContact O-OG 3.14Å; Y866-S869 PolarHBondContact O-N 2.82Å; Y866-S869 PolarHBondContact O-OG 2.96Å
870H86.1Confident81.9Confident49 Ų4962.2 Ų62.223%0.22734%0.339CS..THydrogen-bonded Turntrans-115.127.5-179-67.369.2000111.3Y866 Q867 L868 L872 Q873 F881Y866-H870 AromaticContact CE2-CE1 3.69Å; Y866-H870 AromaticContact CE2-ND1 3.89Å; Y866-H870 PolarHBondContact O-N 3.04Å; Y866-H870 VanDerWaalsContact O-N 3.14Å; Y866-H870 PolarHBondContact O-ND1 3.06Å; Q867-H870 CarbonylContact O-C 3.51Å; Q867-H870 PolarHBondContact O-N 3.49Å; L868-H870 VanDerWaalsContact C-N 3.28Å; L868-H870 PolarHBondContact O-N 3.46Å; H870-L872 PolarHBondContact O-N 2.98Å; H870-L872 VanDerWaalsContact O-N 3.15Å; H870-Q873 WeakPolarHBondContact O-CB 3.45Å; H870-Q873 PolarHBondContact O-N 3.28Å; H870-F881 HydrophobicContact CB-CZ 4.38Å; H870-F881 VanDerWaalsContact O-CZ 3.26Å; H870-F881 WeakPolarHBondContact O-CZ 3.42Å
871F84.4Confident81.7Confident31 Ų3161.9 Ų61.914%0.13633%0.333CS..G310 helixtrans-58.7-30-176.779.2-81.7000112.9G780 F781 P782 Q867 Q873 C874 F889G780-F871 VanDerWaalsContact O-CD1 3.24Å; G780-F871 WeakPolarHBondContact O-CD1 3.24Å; G780-F871 VanDerWaalsContact O-CE1 3.29Å; G780-F871 WeakPolarHBondContact O-CE1 3.49Å; F781-F871 VanDerWaalsContact C-CE1 3.48Å; P782-F871 HydrophobicContact CB-CE2 4.47Å; P782-F871 HydrophobicContact CB-CZ 4.46Å; P782-F871 HydrophobicContact CG-CB 4.32Å; P782-F871 HydrophobicContact CG-CD1 3.91Å; P782-F871 HydrophobicContact CG-CD2 4.11Å; P782-F871 HydrophobicContact CG-CE1 4.24Å; P782-F871 HydrophobicContact CG-CE2 4.42Å; P782-F871 HydrophobicContact CG-CG 3.84Å; P782-F871 HydrophobicContact CG-CZ 4.48Å; Q867-F871 PolarHBondContact O-N 3.35Å; F871-Q873 PolarHBondContact O-N 3.12Å; F871-C874 WeakPolarHBondContact O-CB 3.32Å; F871-C874 PolarHBondContact O-N 2.99Å; F871-F889 HydrophobicContact CB-CD1 3.66Å; F871-F889 HydrophobicContact CB-CD2 4.08Å; F871-F889 HydrophobicContact CB-CE1 3.66Å; F871-F889 HydrophobicContact CB-CE2 4.09Å; F871-F889 HydrophobicContact CB-CG 3.86Å; F871-F889 HydrophobicContact CB-CZ 3.89Å; F871-F889 HydrophobicContact CD2-CB 4.21Å; F871-F889 HydrophobicContact CD2-CG 4.36Å; F871-F889 HydrophobicContact CG-CD1 4.39Å
872L76.1Confident81.2Confident20 Ų2068.4 Ų68.411%0.10536%0.36CS..G310 helixtrans-67.57.7171-63.1176.3000114V283 Y294 H870V283-L872 HydrophobicContact CB-CB 4.45Å; V283-L872 WeakPolarHBondContact CB-O 3.44Å; V283-L872 HydrophobicContact CG1-CD2 4.09Å; V283-L872 WeakPolarHBondContact CG2-O 3.34Å; Y294-L872 HydrophobicContact CE1-CD1 4.38Å; H870-L872 PolarHBondContact O-N 2.98Å; H870-L872 VanDerWaalsContact O-N 3.15Å
873Q77.9Confident80.6Confident53 Ų5366.9 Ų66.925%0.24838%0.377CS..G310 helixtrans-116.44.3171.1-57.8179.8-3.300111.6H870 F871 S875 N878 F881H870-Q873 WeakPolarHBondContact O-CB 3.45Å; H870-Q873 PolarHBondContact O-N 3.28Å; F871-Q873 PolarHBondContact O-N 3.12Å; Q873-S875 PolarHBondContact O-N 3.35Å; Q873-S875 VanDerWaalsContact O-N 3.11Å; Q873-N878 PolarHBondContact O-ND2 3Å; Q873-F881 HydrophobicContact CB-CE2 4.3Å
874C77.3Confident80.2Confident14 Ų1468.3 Ų68.310%0.09538%0.384CS..  trans-65.1111.8176.9-164.80000109.3F871 F881 C886 F889F871-C874 WeakPolarHBondContact O-CB 3.32Å; F871-C874 PolarHBondContact O-N 2.99Å; C874-F881 HydrophobicContact CB-CD1 4.17Å; C874-F881 HydrophobicContact CB-CE1 4.38Å; C874-F881 HydrophobicContact CB-CG 4.29Å; C874-C886 HydrophobicContact CB-CB 3.9Å; C874-C886 WeakPolarHBondContact CB-SG 3.28Å; C874-C886 WeakPolarHBondContact SG-CA 3.42Å; C874-C886 WeakPolarHBondContact SG-CB 3.18Å; C874-C886 CovalentContact SG-SG 2.05Å; C874-C886 PolarHBondContact SG-SG 3.37Å; C874-F889 HydrophobicContact CB-CD2 4.43Å; C874-F889 HydrophobicContact CB-CE2 4.11Å
875S74.3Confident79.9Confident46 Ų4670.4 Ų70.432%0.32239%0.393SS..  trans-147.1154.7173.2610000108.6Q873 D877 N878Q873-S875 PolarHBondContact O-N 3.35Å; Q873-S875 VanDerWaalsContact O-N 3.11Å; S875-D877 PolarHBondContact O-N 2.98Å; S875-N878 PolarHBondContact O-N 3.46Å
876P68.1Low79.6Confident134 Ų13467.2 Ų67.287%0.8738%0.379SS*.THydrogen-bonded Turntrans-57.5-22.9179.2-23.434.1000113.5
877D68.9Low79.4Confident151 Ų15167.3 Ų67.381%0.80738%0.383SS*.THydrogen-bonded Turntrans-92.1-4.7-177.2-59.8-40.7000113.5S875 P879S875-D877 PolarHBondContact O-N 2.98Å; D877-P879 WeakPolarHBondContact O-CD 3.43Å
878N77.4Confident79.4Confident32 Ų3266.8 Ų66.817%0.17138%0.383CS..  trans-91.7114.2-179-169.9-14.5000111.2Q873 S875 E880 F881Q873-N878 PolarHBondContact O-ND2 3Å; S875-N878 PolarHBondContact O-N 3.46Å; N878-E880 PolarHBondContact O-N 3.49Å; N878-E880 VanDerWaalsContact O-N 3.17Å; N878-E880 PolarHBondContact OD1-N 2.92Å; N878-E880 VanDerWaalsContact OD1-N 3.16Å; N878-F881 HydrophobicContact CB-CD2 4.24Å; N878-F881 PolarHBondContact O-N 2.81Å; N878-F881 VanDerWaalsContact O-N 3.12Å
879P77.1Confident79.3Confident98 Ų9867.6 Ų67.664%0.63639%0.387SS*.G310 helixtrans-64.4-22-176.926.9-35.4000113.5D877 F881 E882D877-P879 WeakPolarHBondContact O-CD 3.43Å; P879-F881 PolarHBondContact O-N 3.03Å; P879-E882 PolarHBondContact O-N 3.31Å
880E77.9Confident79.1Confident103 Ų10372.7 Ų72.748%0.48141%0.407SS..G310 helixtrans-71.5-13177.9-65.4-69.4159.400113.1Q867 N878Q867-E880 PolarHBondContact NE2-O 3.48Å; N878-E880 PolarHBondContact O-N 3.49Å; N878-E880 VanDerWaalsContact O-N 3.17Å; N878-E880 PolarHBondContact OD1-N 2.92Å; N878-E880 VanDerWaalsContact OD1-N 3.16Å
881F82.1Confident79.3Confident9 Ų971.1 Ų71.14%0.03940%0.402CS..G310 helixtrans-119.520.4179.8-65.4-89.1000112.8Q867 H870 Q873 C874 N878 P879 G883 L884 F889Q867-F881 HydrophobicContact CB-CD1 4.41Å; Q867-F881 HydrophobicContact CB-CE1 3.76Å; Q867-F881 HydrophobicContact CB-CZ 4.27Å; Q867-F881 HydrophobicContact CG-CD1 4.4Å; Q867-F881 HydrophobicContact CG-CE1 4.08Å; Q867-F881 HydrophobicContact CG-CZ 4.45Å; Q867-F881 WeakPolarHBondContact O-CE1 3.32Å; Q867-F881 WeakPolarHBondContact O-CZ 3.39Å; H870-F881 HydrophobicContact CB-CZ 4.38Å; H870-F881 VanDerWaalsContact O-CZ 3.26Å; H870-F881 WeakPolarHBondContact O-CZ 3.42Å; Q873-F881 HydrophobicContact CB-CE2 4.3Å; C874-F881 HydrophobicContact CB-CD1 4.17Å; C874-F881 HydrophobicContact CB-CE1 4.38Å; C874-F881 HydrophobicContact CB-CG 4.29Å; N878-F881 HydrophobicContact CB-CD2 4.24Å; N878-F881 PolarHBondContact O-N 2.81Å; N878-F881 VanDerWaalsContact O-N 3.12Å; P879-F881 PolarHBondContact O-N 3.03Å; F881-G883 PolarHBondContact O-N 2.85Å; F881-L884 HydrophobicContact CD1-CD2 4.05Å; F881-L884 PolarHBondContact O-N 3.34Å; F881-F889 HydrophobicContact CD1-CE2 4.39Å; F881-F889 HydrophobicContact CD1-CZ 4.47Å; F881-F889 HydrophobicContact CE1-CE2 4.23Å; F881-F889 HydrophobicContact CE1-CZ 4.04Å
882E76.1Confident79.6Confident177 Ų17771.8 Ų71.883%0.82741%0.409SS*.THydrogen-bonded Turntrans-60.2123.5-178-167.5177.3-178.900111.7P879P879-E882 PolarHBondContact O-N 3.31Å
883G77.1Confident80.4Confident89 Ų8974.6 Ų74.692%0.91842%0.418SS*.THydrogen-bonded Turntrans87.24.1-179.900000115.7F881F881-G883 PolarHBondContact O-N 2.85Å
884L81.3Confident81.1Confident42 Ų4272.3 Ų72.322%0.2241%0.409CS..  trans-103.2134.4174.8-163.286.2000110.9P861 I863 F881 V888 F889P861-L884 HydrophobicContact CB-CD1 3.97Å; I863-L884 HydrophobicContact CG2-CD1 3.48Å; I863-L884 VanDerWaalsContact CG2-CD1 3.48Å; I863-L884 HydrophobicContact CG2-CD2 4.25Å; F881-L884 HydrophobicContact CD1-CD2 4.05Å; F881-L884 PolarHBondContact O-N 3.34Å; L884-V888 HydrophobicContact CD1-CG1 4.36Å; L884-V888 HydrophobicContact CD2-CG1 4.03Å; L884-V888 HydrophobicContact CG-CG1 4.14Å; L884-F889 HydrophobicContact CD2-CD2 4.49Å; L884-F889 HydrophobicContact CD2-CE2 3.48Å; L884-F889 VanDerWaalsContact CD2-CE2 3.48Å; L884-F889 HydrophobicContact CD2-CZ 3.68Å
885D82.6Confident81.9Confident121 Ų12172.4 Ų72.465%0.64741%0.408SS*.  trans-80.9119.7167.3-174.3-2.1000109.6H887 V888D885-H887 PolarHBondContact O-N 3.1Å; D885-H887 VanDerWaalsContact O-N 3.16Å; D885-H887 PolarHBondContact OD1-N 3.2Å; D885-H887 VanDerWaalsContact OD1-N 3.15Å; D885-V888 WeakPolarHBondContact O-CB 3.4Å; D885-V888 WeakPolarHBondContact O-CG1 3.21Å; D885-V888 PolarHBondContact O-N 3.06Å
886C81.4Confident82.9Confident43 Ų4370.2 Ų70.229%0.29139%0.392SS..G310 helixtrans-63-21.2-177.7-61.60000113.1C874 V888 F889C874-C886 HydrophobicContact CB-CB 3.9Å; C874-C886 WeakPolarHBondContact CB-SG 3.28Å; C874-C886 WeakPolarHBondContact SG-CA 3.42Å; C874-C886 WeakPolarHBondContact SG-CB 3.18Å; C874-C886 CovalentContact SG-SG 2.05Å; C874-C886 PolarHBondContact SG-SG 3.37Å; C886-V888 PolarHBondContact O-N 3Å; C886-V888 VanDerWaalsContact O-N 3.14Å; C886-F889 PolarHBondContact O-N 3.11Å
887H81.8Confident84.3Confident124 Ų12463.9 Ų63.957%0.57435%0.351SS*.G310 helixtrans-63.4-16.9174.5-163-57.8000112.5D885 F889 E890D885-H887 PolarHBondContact O-N 3.1Å; D885-H887 VanDerWaalsContact O-N 3.16Å; D885-H887 PolarHBondContact OD1-N 3.2Å; D885-H887 VanDerWaalsContact OD1-N 3.15Å; H887-F889 PolarHBondContact O-N 3.11Å; H887-E890 PolarHBondContact O-N 2.91Å; H887-E890 VanDerWaalsContact O-N 3.1Å
888V85.9Confident85.6Confident32 Ų3256.7 Ų56.719%0.19431%0.313CS..G310 helixtrans-62.3-26.8177.779.90000113W853 P861 L884 D885 C886 E890 S891W853-V888 HydrophobicContact CH2-CG2 4Å; W853-V888 HydrophobicContact CZ3-CG2 4.22Å; P861-V888 HydrophobicContact CB-CG2 4.07Å; P861-V888 HydrophobicContact CG-CG1 4.49Å; P861-V888 HydrophobicContact CG-CG2 3.84Å; L884-V888 HydrophobicContact CD1-CG1 4.36Å; L884-V888 HydrophobicContact CD2-CG1 4.03Å; L884-V888 HydrophobicContact CG-CG1 4.14Å; D885-V888 WeakPolarHBondContact O-CB 3.4Å; D885-V888 WeakPolarHBondContact O-CG1 3.21Å; D885-V888 PolarHBondContact O-N 3.06Å; C886-V888 PolarHBondContact O-N 3Å; C886-V888 VanDerWaalsContact O-N 3.14Å; V888-E890 VanDerWaalsContact C-N 3.25Å; V888-E890 PolarHBondContact O-N 3.26Å; V888-S891 WeakPolarHBondContact O-CB 3.31Å; V888-S891 PolarHBondContact O-N 3.05Å
889F85.9Confident86.5Confident18 Ų1855.2 Ų55.28%0.07931%0.305CS..G310 helixtrans-74.8-15.9178.4-66-68.7000113.3P782 F854 I863 L868 F871 C874 F881 L884 C886 H887P782-F889 HydrophobicContact CG-CB 4.45Å; P782-F889 HydrophobicContact CG-CD1 3.8Å; F854-F889 HydrophobicContact CD1-CD1 4.44Å; F854-F889 AromaticContact CE1-CD1 3.84Å; F854-F889 HydrophobicContact CE1-CD1 3.84Å; F854-F889 HydrophobicContact CE1-CE1 4.35Å; F854-F889 HydrophobicContact CZ-CD1 4.24Å; I863-F889 HydrophobicContact CD1-CE1 3.45Å; I863-F889 VanDerWaalsContact CD1-CE1 3.45Å; I863-F889 HydrophobicContact CD1-CZ 3.76Å; L868-F889 HydrophobicContact CD1-CE1 4.18Å; F871-F889 HydrophobicContact CB-CD1 3.66Å; F871-F889 HydrophobicContact CB-CD2 4.08Å; F871-F889 HydrophobicContact CB-CE1 3.66Å; F871-F889 HydrophobicContact CB-CE2 4.09Å; F871-F889 HydrophobicContact CB-CG 3.86Å; F871-F889 HydrophobicContact CB-CZ 3.89Å; F871-F889 HydrophobicContact CD2-CB 4.21Å; F871-F889 HydrophobicContact CD2-CG 4.36Å; F871-F889 HydrophobicContact CG-CD1 4.39Å; C874-F889 HydrophobicContact CB-CD2 4.43Å; C874-F889 HydrophobicContact CB-CE2 4.11Å; F881-F889 HydrophobicContact CD1-CE2 4.39Å; F881-F889 HydrophobicContact CD1-CZ 4.47Å; F881-F889 HydrophobicContact CE1-CE2 4.23Å; F881-F889 HydrophobicContact CE1-CZ 4.04Å; L884-F889 HydrophobicContact CD2-CD2 4.49Å; L884-F889 HydrophobicContact CD2-CE2 3.48Å; L884-F889 VanDerWaalsContact CD2-CE2 3.48Å; L884-F889 HydrophobicContact CD2-CZ 3.68Å; C886-F889 PolarHBondContact O-N 3.11Å; H887-F889 PolarHBondContact O-N 3.11Å
890E81.8Confident87.5Confident140 Ų14050.6 Ų50.665%0.65428%0.275SS*.G310 helixtrans-98.710.4174.7-62.2175.7178.700111.7H887 V888H887-E890 PolarHBondContact O-N 2.91Å; H887-E890 VanDerWaalsContact O-N 3.1Å; V888-E890 VanDerWaalsContact C-N 3.25Å; V888-E890 PolarHBondContact O-N 3.26Å
891S89.6Confident88.4Confident17 Ų1745.7 Ų45.712%0.11925%0.252CS..  trans-62.7139.9179.7176.30000112.3W853 V888 Y893 P894W853-S891 WeakPolarHBondContact CH2-OG 3.42Å; V888-S891 WeakPolarHBondContact O-CB 3.31Å; V888-S891 PolarHBondContact O-N 3.05Å; S891-Y893 VanDerWaalsContact C-N 3.32Å; S891-Y893 PolarHBondContact O-N 3.25Å; S891-Y893 PolarHBondContact OG-N 2.92Å; S891-P894 VanDerWaalsContact O-CD 3.24Å; S891-P894 WeakPolarHBondContact O-CD 3.3Å; S891-P894 WeakPolarHBondContact O-CG 3.34Å
892P90.6Very high89.1Confident44 Ų4445.3 Ų45.329%0.28625%0.25SS..Hα-helixtrans-75.5-15.7176.929.8-35.2000114.1T896 Q956 T958P892-T896 WeakPolarHBondContact O-CB 3.32Å; P892-T896 PolarHBondContact O-N 2.68Å; P892-T896 PolarHBondContact O-OG1 3.15Å; P892-Q956 VanDerWaalsContact CB-O 3.3Å; P892-Q956 WeakPolarHBondContact CB-O 3.39Å; P892-T958 HydrophobicContact CB-CG2 4.18Å; P892-T958 HydrophobicContact CG-CG2 3.98Å
893Y92.3Very high90.1Very high79 Ų7936.9 Ų36.931%0.3121%0.211SC..Hα-helixtrans-60.8-52-179.5-77.2-81000114.8W853 S891 M895 T896 M897 T958W853-Y893 VanDerWaalsContact CE2-CB 3.42Å; W853-Y893 HydrophobicContact CZ2-CD2 4.06Å; W853-Y893 HydrophobicContact CZ2-CG 4.03Å; W853-Y893 AromaticContact NE1-CG 3.89Å; S891-Y893 VanDerWaalsContact C-N 3.32Å; S891-Y893 PolarHBondContact O-N 3.25Å; S891-Y893 PolarHBondContact OG-N 2.92Å; Y893-M895 VanDerWaalsContact C-N 3.32Å; Y893-M895 PolarHBondContact O-N 3.32Å; Y893-T896 PolarHBondContact O-N 2.89Å; Y893-T896 VanDerWaalsContact O-N 3.14Å; Y893-M897 WeakPolarHBondContact O-CG 3.39Å; Y893-M897 PolarHBondContact O-N 3.18Å; Y893-T958 HydrophobicContact CD1-CG2 3.42Å; Y893-T958 VanDerWaalsContact CD1-CG2 3.42Å; Y893-T958 HydrophobicContact CD2-CG2 3.8Å; Y893-T958 HydrophobicContact CE1-CG2 3.52Å; Y893-T958 HydrophobicContact CE2-CG2 3.89Å; Y893-T958 HydrophobicContact CG-CG2 3.56Å
894P93.5Very high91.1Very high6 Ų633.1 Ų33.14%0.03917%0.17CC..Hα-helixtrans-61.8-39.2179.623.1-34.9000112.3A850 W853 F854 S891 T896 M897 A898A850-P894 HydrophobicContact CB-CB 4.12Å; W853-P894 HydrophobicContact CE3-CB 4.09Å; W853-P894 HydrophobicContact CE3-CG 3.96Å; W853-P894 HydrophobicContact CZ3-CG 4.22Å; F854-P894 HydrophobicContact CD2-CB 4.14Å; F854-P894 HydrophobicContact CE2-CB 3.54Å; F854-P894 HydrophobicContact CE2-CG 3.66Å; F854-P894 HydrophobicContact CZ-CB 4.09Å; F854-P894 HydrophobicContact CZ-CG 3.66Å; S891-P894 VanDerWaalsContact O-CD 3.24Å; S891-P894 WeakPolarHBondContact O-CD 3.3Å; S891-P894 WeakPolarHBondContact O-CG 3.34Å; P894-T896 VanDerWaalsContact C-N 3.34Å; P894-M897 PolarHBondContact O-N 3.06Å; P894-A898 PolarHBondContact O-N 2.81Å
895M93.8Very high91.8Very high16 Ų1631.1 Ų31.18%0.07916%0.16CC..Hα-helixtrans-63.1-41.1173.9-69.2-172.6-81.300111.5A784 I786 Y893 M897 A898 L899 Q956A784-M895 WeakPolarHBondContact O-CA 3.29Å; I786-M895 HydrophobicContact CG2-SD 3.93Å; Y893-M895 VanDerWaalsContact C-N 3.32Å; Y893-M895 PolarHBondContact O-N 3.32Å; M895-M897 PolarHBondContact O-N 3.3Å; M895-A898 PolarHBondContact O-N 3.49Å; M895-L899 WeakPolarHBondContact O-CB 3.31Å; M895-L899 PolarHBondContact O-N 3.03Å; M895-Q956 HydrophobicContact CE-CB 3.92Å
896T96.3Very high92.5Very high0 Ų025.4 Ų25.40%013%0.129CC..Hα-helixtrans-65.5-38.5176.3-51.30000112.4P892 Y893 P894 S900 L946 I957 T958 L960P892-T896 WeakPolarHBondContact O-CB 3.32Å; P892-T896 PolarHBondContact O-N 2.68Å; P892-T896 PolarHBondContact O-OG1 3.15Å; Y893-T896 PolarHBondContact O-N 2.89Å; Y893-T896 VanDerWaalsContact O-N 3.14Å; P894-T896 VanDerWaalsContact C-N 3.34Å; T896-S900 VanDerWaalsContact O-CB 3.23Å; T896-S900 WeakPolarHBondContact O-CB 3.39Å; T896-S900 PolarHBondContact O-N 3.47Å; T896-S900 PolarHBondContact O-OG 3.28Å; T896-L946 HydrophobicContact CG2-CD2 3.49Å; T896-L946 VanDerWaalsContact CG2-CD2 3.49Å; T896-I957 HydrophobicContact CG2-CB 4.37Å; T896-I957 VanDerWaalsContact OG1-CA 3.28Å; T896-I957 WeakPolarHBondContact OG1-CA 3.45Å; T896-I957 WeakPolarHBondContact OG1-CB 3.49Å; T896-T958 VanDerWaalsContact CG2-O 3.29Å; T896-T958 WeakPolarHBondContact CG2-O 3.43Å; T896-T958 PolarHBondContact OG1-N 3.41Å; T896-T958 PolarHBondContact OG1-O 3.46Å; T896-L960 HydrophobicContact CG2-CD1 4.01Å; T896-L960 HydrophobicContact CG2-CD2 3.77Å; T896-L960 HydrophobicContact CG2-CG 3.67Å
897M96.5Very high93.2Very high1 Ų123.8 Ų23.81%0.00512%0.117CC..Hα-helixtrans-61.9-47.8174.9-75.2-64.4-6400111.2A849 W852 Y893 P894 M895 S900 V901 L960 Q964 M967 V968A849-M897 HydrophobicContact CB-CB 4.41Å; W852-M897 HydrophobicContact CE3-CE 3.8Å; W852-M897 HydrophobicContact CZ3-CE 3.75Å; Y893-M897 WeakPolarHBondContact O-CG 3.39Å; Y893-M897 PolarHBondContact O-N 3.18Å; P894-M897 PolarHBondContact O-N 3.06Å; M895-M897 PolarHBondContact O-N 3.3Å; M897-S900 PolarHBondContact O-N 3.24Å; M897-V901 VanDerWaalsContact O-CG2 3.31Å; M897-V901 WeakPolarHBondContact O-CG2 3.45Å; M897-V901 PolarHBondContact O-N 3.15Å; M897-L960 HydrophobicContact CG-CD2 4.22Å; M897-L960 HydrophobicContact SD-CD1 3.96Å; M897-L960 HydrophobicContact SD-CD2 3.87Å; M897-Q964 HydrophobicContact SD-CB 3.77Å; M897-Q964 HydrophobicContact SD-CG 4.33Å; M897-M967 HydrophobicContact CE-CB 4.22Å; M897-M967 HydrophobicContact CE-CG 4.23Å; M897-V968 HydrophobicContact CE-CG2 3.9Å; M897-V968 HydrophobicContact SD-CG2 4.06Å
898A96.3Very high93.9Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-61-48.6176.200000111.8A784 L785 A850 P894 M895 S900 V901 L902A784-A898 HydrophobicContact CB-CB 4.15Å; A784-A898 WeakPolarHBondContact O-CB 3.28Å; L785-A898 HydrophobicContact CD2-CB 4.07Å; L785-A898 HydrophobicContact CG-CB 4.27Å; A850-A898 HydrophobicContact CB-CB 4.28Å; P894-A898 PolarHBondContact O-N 2.81Å; M895-A898 PolarHBondContact O-N 3.49Å; A898-S900 PolarHBondContact O-N 3.14Å; A898-V901 PolarHBondContact O-N 3.26Å; A898-L902 PolarHBondContact O-N 3.19Å
899L96.8Very high94.3Very high1 Ų117 Ų171%0.0059%0.085CC..Hα-helixtrans-61.1-44.2179.3-177.863.4000111.8L785 Q789 V793 M895 V901 L902 V903 I945 I957L785-L899 HydrophobicContact CD2-CB 3.94Å; L785-L899 HydrophobicContact CD2-CD1 4.24Å; Q789-L899 HydrophobicContact CB-CD1 4.16Å; Q789-L899 HydrophobicContact CG-CD2 4.28Å; V793-L899 HydrophobicContact CG2-CD1 3.57Å; M895-L899 WeakPolarHBondContact O-CB 3.31Å; M895-L899 PolarHBondContact O-N 3.03Å; L899-V901 VanDerWaalsContact C-N 3.31Å; L899-V901 PolarHBondContact O-N 3.22Å; L899-L902 PolarHBondContact O-N 2.94Å; L899-V903 HydrophobicContact CD1-CG2 4.39Å; L899-V903 WeakPolarHBondContact O-CG2 3.37Å; L899-V903 PolarHBondContact O-N 3.22Å; L899-I945 HydrophobicContact CD2-CD1 4.28Å; L899-I957 HydrophobicContact CD2-CD1 4.37Å; L899-I957 HydrophobicContact CD2-CG2 3.92Å
900S97.4Very high94.7Very high0 Ų016.1 Ų16.10%08%0.081CC..Hα-helixtrans-67.6-32.6-180-59.80000112.2T896 M897 A898 T904 H942 L960 V968T896-S900 VanDerWaalsContact O-CB 3.23Å; T896-S900 WeakPolarHBondContact O-CB 3.39Å; T896-S900 PolarHBondContact O-N 3.47Å; T896-S900 PolarHBondContact O-OG 3.28Å; M897-S900 PolarHBondContact O-N 3.24Å; A898-S900 PolarHBondContact O-N 3.14Å; S900-T904 VanDerWaalsContact O-CB 3.29Å; S900-T904 WeakPolarHBondContact O-CB 3.31Å; S900-T904 PolarHBondContact O-N 3.02Å; S900-T904 PolarHBondContact O-OG1 2.96Å; S900-H942 PolarHBondContact OG-NE2 3.15Å; S900-L960 WeakPolarHBondContact OG-CD1 3.39Å; S900-V968 WeakPolarHBondContact O-CG1 3.02Å
901V97.7Very high95.3Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-68-45.8171.5168.10000111.3A845 T846 A849 M897 A898 L899 T904 I905 V968 I971A845-V901 HydrophobicContact CB-CG1 3.94Å; T846-V901 HydrophobicContact CG2-CG1 4.18Å; A849-V901 HydrophobicContact CB-CB 4.36Å; A849-V901 HydrophobicContact CB-CG2 3.66Å; M897-V901 VanDerWaalsContact O-CG2 3.31Å; M897-V901 WeakPolarHBondContact O-CG2 3.45Å; M897-V901 PolarHBondContact O-N 3.15Å; A898-V901 PolarHBondContact O-N 3.26Å; L899-V901 VanDerWaalsContact C-N 3.31Å; L899-V901 PolarHBondContact O-N 3.22Å; V901-T904 PolarHBondContact O-N 3.36Å; V901-I905 HydrophobicContact CG1-CD1 3.63Å; V901-I905 HydrophobicContact CG1-CG1 4.25Å; V901-I905 WeakPolarHBondContact O-CB 3.34Å; V901-I905 VanDerWaalsContact O-CG1 3.3Å; V901-I905 WeakPolarHBondContact O-CG1 3.5Å; V901-I905 PolarHBondContact O-N 3.06Å; V901-V968 HydrophobicContact CG2-CB 4.26Å; V901-V968 HydrophobicContact CG2-CG1 4.02Å; V901-V968 HydrophobicContact CG2-CG2 4.1Å; V901-I971 HydrophobicContact CB-CG2 4.33Å; V901-I971 HydrophobicContact CG1-CG2 3.93Å; V901-I971 HydrophobicContact CG2-CG2 3.39Å
902L96.7Very high95.4Very high1 Ų110.1 Ų10.11%0.0055%0.052CC..Hα-helixtrans-55.5-55176-18060.4000110.6E769 L785 L790 V793 V842 T846 A898 L899 T904 I905 E906E769-L902 HydrophobicContact CG-CD1 4.38Å; E769-L902 HydrophobicContact CG-CD2 4.19Å; L785-L902 HydrophobicContact CD1-CD2 3.8Å; L790-L902 HydrophobicContact CD2-CD2 4.34Å; V793-L902 HydrophobicContact CG1-CD2 4.09Å; V793-L902 HydrophobicContact CG1-CG 4.36Å; V793-L902 HydrophobicContact CG2-CD2 4.21Å; V842-L902 HydrophobicContact CG1-CD1 3.54Å; T846-L902 HydrophobicContact CG2-CB 3.84Å; T846-L902 HydrophobicContact CG2-CD1 4.47Å; A898-L902 PolarHBondContact O-N 3.19Å; L899-L902 PolarHBondContact O-N 2.94Å; L902-T904 VanDerWaalsContact C-N 3.34Å; L902-T904 PolarHBondContact O-N 3.32Å; L902-I905 PolarHBondContact O-N 3.19Å; L902-E906 HydrophobicContact CD1-CG 4.22Å; L902-E906 WeakPolarHBondContact O-CG 3.39Å; L902-E906 PolarHBondContact O-N 3.48Å
903V97.1Very high95.4Very high0 Ų08.2 Ų8.20%04%0.04CC..Hα-helixtrans-57.6-45.3179.4171.20000111.6V793 T797 L899 E906 M907 M939 H942V793-V903 HydrophobicContact CG2-CG2 4.26Å; T797-V903 HydrophobicContact CG2-CB 4.25Å; T797-V903 HydrophobicContact CG2-CG1 3.76Å; T797-V903 HydrophobicContact CG2-CG2 3.8Å; L899-V903 HydrophobicContact CD1-CG2 4.39Å; L899-V903 WeakPolarHBondContact O-CG2 3.37Å; L899-V903 PolarHBondContact O-N 3.22Å; V903-E906 PolarHBondContact O-N 3.44Å; V903-M907 WeakPolarHBondContact O-CG 3.3Å; V903-M907 PolarHBondContact O-N 3.46Å; V903-M939 HydrophobicContact CG1-SD 3.82Å; V903-H942 HydrophobicContact CG1-CB 4.22Å
904T97.6Very high95.3Very high11 Ų114.9 Ų4.97%0.0673%0.027CC..Hα-helixtrans-67.6-40.4-178.3-55.90000112S900 V901 L902 C908 V968 L969 S972S900-T904 VanDerWaalsContact O-CB 3.29Å; S900-T904 WeakPolarHBondContact O-CB 3.31Å; S900-T904 PolarHBondContact O-N 3.02Å; S900-T904 PolarHBondContact O-OG1 2.96Å; V901-T904 PolarHBondContact O-N 3.36Å; L902-T904 VanDerWaalsContact C-N 3.34Å; L902-T904 PolarHBondContact O-N 3.32Å; T904-C908 PolarHBondContact O-N 2.9Å; T904-C908 PolarHBondContact O-SG 3.24Å; T904-V968 WeakPolarHBondContact OG1-CG1 3.37Å; T904-L969 HydrophobicContact CG2-CD2 4.16Å; T904-S972 VanDerWaalsContact CG2-CB 3.41Å
905I97.1Very high94.9Very high0 Ų05.4 Ų5.40%03%0.031CC..Hα-helixtrans-62.7-45.4175.1-73.9176.6000110Y841 V842 A845 V901 L902 M907 C908 N909 V975Y841-I905 HydrophobicContact CD1-CD1 4.26Å; Y841-I905 HydrophobicContact CE1-CD1 3.97Å; V842-I905 HydrophobicContact CB-CG2 4.44Å; V842-I905 HydrophobicContact CG1-CG2 4.43Å; V842-I905 HydrophobicContact CG2-CG2 3.51Å; A845-I905 HydrophobicContact CB-CD1 3.7Å; V901-I905 HydrophobicContact CG1-CD1 3.63Å; V901-I905 HydrophobicContact CG1-CG1 4.25Å; V901-I905 WeakPolarHBondContact O-CB 3.34Å; V901-I905 VanDerWaalsContact O-CG1 3.3Å; V901-I905 WeakPolarHBondContact O-CG1 3.5Å; V901-I905 PolarHBondContact O-N 3.06Å; L902-I905 PolarHBondContact O-N 3.19Å; I905-M907 PolarHBondContact O-N 2.85Å; I905-C908 CarbonylContact O-C 3.52Å; I905-C908 WeakPolarHBondContact O-CA 3.29Å; I905-C908 WeakPolarHBondContact O-CB 3.33Å; I905-C908 PolarHBondContact O-N 3.35Å; I905-N909 WeakPolarHBondContact O-CB 3.34Å; I905-N909 PolarHBondContact O-N 3.13Å; I905-V975 HydrophobicContact CG2-CB 4.31Å; I905-V975 HydrophobicContact CG2-CG1 4.21Å; I905-V975 HydrophobicContact CG2-CG2 4.09Å
906E95.9Very high94.4Very high0 Ų07.6 Ų7.60%04%0.041CC..Hα-helixtrans-67.6-35.3-178.2-69.1-48.813200112.8Y761 S765 D798 L902 V903 C908 N909 A910Y761-E906 HydrophobicContact CE2-CB 4.29Å; Y761-E906 WeakPolarHBondContact CE2-O 3.32Å; Y761-E906 VanDerWaalsContact CE2-OE2 3.25Å; Y761-E906 WeakPolarHBondContact CE2-OE2 3.24Å; S765-E906 VanDerWaalsContact CB-CD 3.46Å; S765-E906 WeakPolarHBondContact OG-CG 3.31Å; D798-E906 WeakPolarHBondContact OD1-CB 3.28Å; L902-E906 HydrophobicContact CD1-CG 4.22Å; L902-E906 WeakPolarHBondContact O-CG 3.39Å; L902-E906 PolarHBondContact O-N 3.48Å; V903-E906 PolarHBondContact O-N 3.44Å; E906-C908 VanDerWaalsContact C-N 3.27Å; E906-C908 PolarHBondContact O-N 3.37Å; E906-N909 CarbonylContact O-C 3.58Å; E906-N909 PolarHBondContact O-N 3.31Å; E906-N909 PolarHBondContact OE2-ND2 3.05Å; E906-A910 WeakPolarHBondContact O-CB 3.46Å; E906-A910 PolarHBondContact O-N 3.43Å
907M96.8Very high93.7Very high9 Ų99.4 Ų9.44%0.0445%0.051CC..Hα-helixtrans-62-37.2170.9-65.3-49.294.800112T797 P801 V903 I905 L911 I935 M939T797-M907 HydrophobicContact CG2-CE 3.89Å; P801-M907 HydrophobicContact CG-CE 3.72Å; P801-M907 HydrophobicContact CG-SD 3.94Å; V903-M907 WeakPolarHBondContact O-CG 3.3Å; V903-M907 PolarHBondContact O-N 3.46Å; I905-M907 PolarHBondContact O-N 2.85Å; M907-L911 PolarHBondContact O-N 3.44Å; M907-I935 HydrophobicContact CB-CG2 3.95Å; M907-I935 HydrophobicContact CG-CG2 3.99Å; M907-I935 HydrophobicContact SD-CB 4.11Å; M907-I935 HydrophobicContact SD-CG1 3.93Å; M907-I935 HydrophobicContact SD-CG2 3.96Å; M907-M939 HydrophobicContact CG-CG 4.08Å; M907-M939 HydrophobicContact CG-SD 3.81Å
908C95.9Very high93.1Very high11 Ų1112.8 Ų12.87%0.0747%0.067CC..Hα-helixtrans-70.6-38.6174.1-65.40000112T904 I905 E906 A910 L911 N912 V975 I976T904-C908 PolarHBondContact O-N 2.9Å; T904-C908 PolarHBondContact O-SG 3.24Å; I905-C908 CarbonylContact O-C 3.52Å; I905-C908 WeakPolarHBondContact O-CA 3.29Å; I905-C908 WeakPolarHBondContact O-CB 3.33Å; I905-C908 PolarHBondContact O-N 3.35Å; E906-C908 VanDerWaalsContact C-N 3.27Å; E906-C908 PolarHBondContact O-N 3.37Å; C908-A910 VanDerWaalsContact C-N 3.32Å; C908-L911 WeakPolarHBondContact O-CB 3.05Å; C908-L911 PolarHBondContact O-N 3.01Å; C908-N912 PolarHBondContact O-N 3.41Å; C908-N912 VanDerWaalsContact O-N 3.07Å; C908-V975 HydrophobicContact CB-CG1 3.49Å; C908-V975 VanDerWaalsContact CB-CG1 3.49Å; C908-I976 HydrophobicContact CB-CD1 3.96Å; C908-I976 HydrophobicContact CB-CG1 3.72Å
909N94.4Very high92.8Very high2 Ų213.2 Ų13.21%0.0117%0.07CC..Hα-helixtrans-68.1-32.8178.2-164.628.8000111.7Y761 I905 E906 L911 N912 S913Y761-N909 HydrophobicContact CD2-CB 4.44Å; Y761-N909 HydrophobicContact CE2-CB 4.34Å; I905-N909 WeakPolarHBondContact O-CB 3.34Å; I905-N909 PolarHBondContact O-N 3.13Å; E906-N909 CarbonylContact O-C 3.58Å; E906-N909 PolarHBondContact O-N 3.31Å; E906-N909 PolarHBondContact OE2-ND2 3.05Å; N909-L911 VanDerWaalsContact C-N 3.34Å; N909-L911 PolarHBondContact O-N 3.24Å; N909-N912 CarbonylContact O-C 3.59Å; N909-N912 WeakPolarHBondContact O-CB 3.42Å; N909-N912 PolarHBondContact O-N 3.25Å; N909-S913 VanDerWaalsContact O-CB 3.31Å; N909-S913 WeakPolarHBondContact O-CB 3.34Å; N909-S913 PolarHBondContact O-N 3.44Å; N909-S913 PolarHBondContact O-OG 3.13Å
910A94.6Very high92.4Very high0 Ų014.4 Ų14.40%08%0.076CC..Hα-helixtrans-62.9-39.9172.100000111.4Y761 P801 E906 C908 S913 L914 L931 I935Y761-A910 HydrophobicContact CD2-CB 4.4Å; Y761-A910 HydrophobicContact CE2-CB 3.9Å; P801-A910 HydrophobicContact CB-CB 3.82Å; E906-A910 WeakPolarHBondContact O-CB 3.46Å; E906-A910 PolarHBondContact O-N 3.43Å; C908-A910 VanDerWaalsContact C-N 3.32Å; A910-S913 CarbonylContact O-C 3.6Å; A910-S913 WeakPolarHBondContact O-CA 3.36Å; A910-S913 WeakPolarHBondContact O-CB 3.2Å; A910-S913 PolarHBondContact O-N 2.88Å; A910-S913 VanDerWaalsContact O-N 3.14Å; A910-L914 PolarHBondContact O-N 2.98Å; A910-L931 HydrophobicContact CB-CD1 4.18Å; A910-I935 HydrophobicContact CB-CD1 4.48Å
911L94.4Very high92.1Very high30 Ų3022.2 Ų22.216%0.15712%0.116CC..Hα-helixtrans-63.8-47.4172.5-63.4178.8000111.5M907 C908 N909 S913 L914 L920 P925 L931 L932 I935M907-L911 PolarHBondContact O-N 3.44Å; C908-L911 WeakPolarHBondContact O-CB 3.05Å; C908-L911 PolarHBondContact O-N 3.01Å; N909-L911 VanDerWaalsContact C-N 3.34Å; N909-L911 PolarHBondContact O-N 3.24Å; L911-S913 PolarHBondContact O-N 2.69Å; L911-S913 VanDerWaalsContact O-N 3.14Å; L911-L914 VanDerWaalsContact O-CB 3.31Å; L911-L914 WeakPolarHBondContact O-CB 3.45Å; L911-L914 WeakPolarHBondContact O-CG 3.34Å; L911-L914 PolarHBondContact O-N 3.47Å; L911-L920 WeakPolarHBondContact O-CD2 3.45Å; L911-P925 HydrophobicContact CD2-CB 4.01Å; L911-L931 HydrophobicContact CD2-CD2 4.11Å; L911-L932 HydrophobicContact CD2-CD2 4.23Å; L911-I935 HydrophobicContact CD2-CD1 3.55Å; L911-I935 HydrophobicContact CG-CD1 3.88Å
912N92.4Very high91.5Very high1 Ų131 Ų311%0.00515%0.149CC..Hα-helixtrans-55.8-31.5173.3-74.3-21.4000111.8C908 N909 L914 V975 D979 K983C908-N912 PolarHBondContact O-N 3.41Å; C908-N912 VanDerWaalsContact O-N 3.07Å; N909-N912 CarbonylContact O-C 3.59Å; N909-N912 WeakPolarHBondContact O-CB 3.42Å; N909-N912 PolarHBondContact O-N 3.25Å; N912-L914 VanDerWaalsContact C-N 3.25Å; N912-L914 PolarHBondContact O-N 3.49Å; N912-V975 PolarHBondContact ND2-O 3.26Å; N912-D979 HydrophobicContact CB-CB 4.24Å; N912-D979 VanDerWaalsContact CB-OD2 3.3Å; N912-D979 WeakPolarHBondContact CB-OD2 3.47Å; N912-D979 VanDerWaalsContact ND2-CB 3.28Å; N912-D979 WeakPolarHBondContact ND2-CB 3.24Å; N912-K983 WeakPolarHBondContact O-CE 3.48Å; N912-K983 PolarHBondContact O-NZ 2.86Å
913S91.1Very high90.9Very high5 Ų532.8 Ų32.84%0.03516%0.159CC..THydrogen-bonded Turntrans-79.46177.6-600000114Q757 L805 N909 A910 L911 S915Q757-S913 VanDerWaalsContact CD-O 3.24Å; Q757-S913 WeakPolarHBondContact CG-O 3.4Å; Q757-S913 VanDerWaalsContact NE2-C 3.28Å; Q757-S913 VanDerWaalsContact NE2-CA 3.29Å; Q757-S913 PolarHBondContact NE2-O 2.86Å; L805-S913 WeakPolarHBondContact CD2-O 3.31Å; N909-S913 VanDerWaalsContact O-CB 3.31Å; N909-S913 WeakPolarHBondContact O-CB 3.34Å; N909-S913 PolarHBondContact O-N 3.44Å; N909-S913 PolarHBondContact O-OG 3.13Å; A910-S913 CarbonylContact O-C 3.6Å; A910-S913 WeakPolarHBondContact O-CA 3.36Å; A910-S913 WeakPolarHBondContact O-CB 3.2Å; A910-S913 PolarHBondContact O-N 2.88Å; A910-S913 VanDerWaalsContact O-N 3.14Å; L911-S913 PolarHBondContact O-N 2.69Å; L911-S913 VanDerWaalsContact O-N 3.14Å; S913-S915 VanDerWaalsContact C-N 3.25Å; S913-S915 PolarHBondContact O-N 3.18Å
914L89Confident90.6Very high9 Ų933.8 Ų33.85%0.04717%0.165CC..THydrogen-bonded Turntrans-62.3-33.3170-81.3165.6000113.5N808 A910 L911 N912 L920 P925 N928 L931N808-L914 PolarHBondContact ND2-O 2.7Å; N808-L914 WeakPolarHBondContact OD1-CD2 3.46Å; A910-L914 PolarHBondContact O-N 2.98Å; L911-L914 VanDerWaalsContact O-CB 3.31Å; L911-L914 WeakPolarHBondContact O-CB 3.45Å; L911-L914 WeakPolarHBondContact O-CG 3.34Å; L911-L914 PolarHBondContact O-N 3.47Å; N912-L914 VanDerWaalsContact C-N 3.25Å; N912-L914 PolarHBondContact O-N 3.49Å; L914-L920 HydrophobicContact CD1-CD2 4.13Å; L914-P925 HydrophobicContact CD1-CB 4.46Å; L914-N928 HydrophobicContact CD2-CB 3.68Å; L914-L931 HydrophobicContact CD1-CD2 4.03Å; L914-L931 HydrophobicContact CD2-CD2 3.48Å; L914-L931 VanDerWaalsContact CD2-CD2 3.48Å; L914-L931 HydrophobicContact CG-CD2 3.56Å
915S84.9Confident90.3Very high16 Ų1634.8 Ų34.811%0.11217%0.171CC..  trans-143.9143.2177.9-1760000110.6S913 Q918 K983S913-S915 VanDerWaalsContact C-N 3.25Å; S913-S915 PolarHBondContact O-N 3.18Å; S915-Q918 VanDerWaalsContact OG-CB 3.27Å; S915-Q918 WeakPolarHBondContact OG-CB 3.45Å; S915-Q918 PolarHBondContact OG-N 3.04Å; S915-K983 VanDerWaalsContact O-CE 3.27Å; S915-K983 WeakPolarHBondContact O-CE 3.35Å; S915-K983 PolarHBondContact O-NZ 3.37Å
916E83.2Confident90Very high63 Ų6343 Ų4329%0.29420%0.203SC..SBendtrans-60.2-56.4174.6-177.9167.4-176.400110.7R760 R834R760-E916 IonicContact CZ-OE1 2.75Å; R760-E916 IonicContact CZ-OE2 3.61Å; R760-E916 IonicContact NH1-OE1 2.77Å; R760-E916 IonicContact NH1-OE2 3.58Å; R760-E916 PolarHBondContact NH1-OE2 3.23Å; R760-E916 IonicContact NH2-OE1 2.73Å; R760-E916 PolarHBondContact NH2-OE1 2.94Å; R760-E916 IonicContact NH2-OE2 2.93Å; R760-E916 PolarHBondContact NH2-OE2 2.94Å; R834-E916 PolarHBondContact NH1-O 3.13Å
917N81.8Confident89.6Confident38 Ų3848.1 Ų48.120%0.20323%0.227CC..SBendtrans-115.9-17.3-173.3-72.2-19.5000114.2R987 E991N917-R987 HydrophobicContact CB-CG 4.33Å; N917-R987 WeakPolarHBondContact O-CD 3.4Å; N917-R987 PolarHBondContact O-NH1 3.22Å; N917-E991 PolarHBondContact ND2-OE1 3.4Å
918Q84.9Confident89.4Confident72 Ų7247.8 Ų47.834%0.33623%0.225SC..  trans-74.9140.6178.9-60.5-68.6-16.600111.1S915 R922 M923 K983S915-Q918 VanDerWaalsContact OG-CB 3.27Å; S915-Q918 WeakPolarHBondContact OG-CB 3.45Å; S915-Q918 PolarHBondContact OG-N 3.04Å; Q918-R922 VanDerWaalsContact OE1-CD 3.23Å; Q918-M923 HydrophobicContact CB-CB 4.26Å; Q918-K983 WeakPolarHBondContact O-CD 3.34Å; Q918-K983 PolarHBondContact O-NZ 3.22Å
919S88.6Confident89.3Confident9 Ų953.4 Ų53.46%0.06325%0.253CS..  trans-70.4148.7172.41790000110.1L921 R922 M923 E980S919-L921 PolarHBondContact O-N 3.4Å; S919-L921 VanDerWaalsContact O-N 3.12Å; S919-L921 PolarHBondContact OG-N 3.03Å; S919-R922 PolarHBondContact O-N 3Å; S919-M923 PolarHBondContact O-N 3.13Å; S919-E980 VanDerWaalsContact CA-OE1 3.28Å; S919-E980 WeakPolarHBondContact CA-OE1 3.28Å; S919-E980 WeakPolarHBondContact CA-OE2 3.35Å; S919-E980 WeakPolarHBondContact CB-OE2 3.25Å; S919-E980 VanDerWaalsContact OG-CD 3.23Å; S919-E980 PolarHBondContact OG-OE1 3.47Å; S919-E980 PolarHBondContact OG-OE2 2.99Å
920L89.9Confident89.3Confident26 Ų2661.8 Ų61.814%0.13629%0.285CS..THydrogen-bonded Turntrans-57.3-21169.6-70.8176.4000112.9L911 L914 R922 M923 P924 P925 I976 E980L911-L920 WeakPolarHBondContact O-CD2 3.45Å; L914-L920 HydrophobicContact CD1-CD2 4.13Å; L920-R922 VanDerWaalsContact C-N 3.34Å; L920-M923 WeakPolarHBondContact CA-O 3.37Å; L920-M923 CarbonylContact O-C 3.49Å; L920-P924 WeakPolarHBondContact O-CA 3.43Å; L920-P925 HydrophobicContact CD2-CG 4.27Å; L920-I976 HydrophobicContact CD1-CG2 3.85Å; L920-E980 PolarHBondContact N-OE1 3.05Å
921L89.5Confident89.3Confident163 Ų16361.8 Ų61.885%0.85329%0.285SS*.THydrogen-bonded Turntrans-73.3-26.1172.8-63.2177000113S919S919-L921 PolarHBondContact O-N 3.4Å; S919-L921 VanDerWaalsContact O-N 3.12Å; S919-L921 PolarHBondContact OG-N 3.03Å
922R85.9Confident89.4Confident184 Ų18463.2 Ų63.269%0.69429%0.292SS*.THydrogen-bonded Turntrans-96-37.8178.3-74.9-171.1176-179.1-1.1112.5Q918 S919 L920 P924Q918-R922 VanDerWaalsContact OE1-CD 3.23Å; S919-R922 PolarHBondContact O-N 3Å; L920-R922 VanDerWaalsContact C-N 3.34Å; R922-P924 WeakPolarHBondContact O-CD 3.45Å
923M84.3Confident89.6Confident40 Ų4065.2 Ų65.220%0.19731%0.313CS..SBendtrans-118.189.5174.6-172.2175.3-7400108Q918 S919 L920 E927Q918-M923 HydrophobicContact CB-CB 4.26Å; S919-M923 PolarHBondContact O-N 3.13Å; L920-M923 WeakPolarHBondContact CA-O 3.37Å; L920-M923 CarbonylContact O-C 3.49Å; M923-E927 HydrophobicContact CG-CB 4.46Å; M923-E927 HydrophobicContact CG-CG 4.2Å
924P90.5Very high89.8Confident20 Ų2065.6 Ų65.613%0.1332%0.316CS..  trans-63.6154.7-174.9-24.134.6000113.7L920 R922 W926 E927L920-P924 WeakPolarHBondContact O-CA 3.43Å; R922-P924 WeakPolarHBondContact O-CD 3.45Å; P924-W926 HydrophobicContact CB-CD2 3.53Å; P924-W926 HydrophobicContact CB-CE3 3.94Å; P924-W926 HydrophobicContact CB-CG 4.13Å; P924-W926 HydrophobicContact CB-CH2 3.72Å; P924-W926 HydrophobicContact CB-CZ2 3.28Å; P924-W926 HydrophobicContact CB-CZ3 4.02Å; P924-W926 HydrophobicContact CG-CH2 4.24Å; P924-W926 HydrophobicContact CG-CZ2 3.53Å; P924-W926 PolarHBondContact O-N 3.04Å; P924-E927 WeakPolarHBondContact O-CB 3.48Å; P924-E927 WeakPolarHBondContact O-CG 3.43Å; P924-E927 PolarHBondContact O-N 3.29Å; P924-E927 VanDerWaalsContact O-N 3.08Å
925P90.3Very high90.2Very high32 Ų3266.3 Ų66.321%0.20832%0.32CS..G310 helixtrans-52.3-29.9176.3-31.937.9000116L911 L914 L920 E927 L932L911-P925 HydrophobicContact CD2-CB 4.01Å; L914-P925 HydrophobicContact CD1-CB 4.46Å; L920-P925 HydrophobicContact CD2-CG 4.27Å; P925-E927 VanDerWaalsContact C-N 3.3Å; P925-E927 PolarHBondContact O-N 3.46Å; P925-L932 HydrophobicContact CB-CD2 4.13Å
926W91.5Very high90.8Very high172 Ų17269.4 Ų69.465%0.65234%0.341SS*.G310 helixtrans-80.3-4.3-177.555.873.9000114.6P924 N928 L932P924-W926 HydrophobicContact CB-CD2 3.53Å; P924-W926 HydrophobicContact CB-CE3 3.94Å; P924-W926 HydrophobicContact CB-CG 4.13Å; P924-W926 HydrophobicContact CB-CH2 3.72Å; P924-W926 HydrophobicContact CB-CZ2 3.28Å; P924-W926 HydrophobicContact CB-CZ3 4.02Å; P924-W926 HydrophobicContact CG-CH2 4.24Å; P924-W926 HydrophobicContact CG-CZ2 3.53Å; P924-W926 PolarHBondContact O-N 3.04Å; W926-N928 PolarHBondContact O-N 3.05Å; W926-L932 HydrophobicContact CB-CD1 4.2Å
927E88Confident91.4Very high108 Ų10870.4 Ų70.451%0.50535%0.347SS..G310 helixtrans-61.5-31.1171.3-69.8-67.8161.100111.4M923 P924 P925M923-E927 HydrophobicContact CG-CB 4.46Å; M923-E927 HydrophobicContact CG-CG 4.2Å; P924-E927 WeakPolarHBondContact O-CB 3.48Å; P924-E927 WeakPolarHBondContact O-CG 3.43Å; P924-E927 PolarHBondContact O-N 3.29Å; P924-E927 VanDerWaalsContact O-N 3.08Å; P925-E927 VanDerWaalsContact C-N 3.3Å; P925-E927 PolarHBondContact O-N 3.46Å
928N92.3Very high92.1Very high3 Ų368.6 Ų68.62%0.01634%0.338CS..  trans-115.291.4172-171.6-10.7000110.9A804 N808 L914 W926 W930 L931 L932A804-N928 PolarHBondContact O-ND2 3.1Å; N808-N928 PolarHBondContact OD1-ND2 3.23Å; L914-N928 HydrophobicContact CD2-CB 3.68Å; W926-N928 PolarHBondContact O-N 3.05Å; N928-W930 PolarHBondContact O-N 2.92Å; N928-W930 WeakPolarHBondContact OD1-CB 3.35Å; N928-W930 PolarHBondContact OD1-N 3.33Å; N928-W930 VanDerWaalsContact OD1-N 3.09Å; N928-L931 HydrophobicContact CB-CB 4.02Å; N928-L931 WeakPolarHBondContact O-CB 3.36Å; N928-L931 PolarHBondContact O-N 3.22Å; N928-L931 VanDerWaalsContact O-N 3.15Å; N928-L931 PolarHBondContact OD1-N 3.12Å; N928-L931 VanDerWaalsContact OD1-N 3.13Å; N928-L932 PolarHBondContact O-N 3.31Å
929I94.2Very high92.7Very high128 Ų12867 Ų6766%0.65633%0.331SS*.Hα-helixtrans-61.8-31.2177.3-62.6179.5000111.7L931 L932 G933I929-L931 VanDerWaalsContact C-N 3.31Å; I929-L931 PolarHBondContact O-N 3.22Å; I929-L932 PolarHBondContact O-N 3.04Å; I929-G933 PolarHBondContact O-N 3.19Å
930W94.3Very high93.1Very high178 Ų17870 Ų7067%0.67435%0.352SS*.Hα-helixtrans-65.6-36.6177.5-61101.7000111.6A804 F807 N928 G933 A934A804-W930 HydrophobicContact CB-CB 4.44Å; F807-W930 HydrophobicContact CB-CG 4.49Å; F807-W930 HydrophobicContact CD2-CB 4.48Å; F807-W930 HydrophobicContact CG-CG 4.44Å; N928-W930 PolarHBondContact O-N 2.92Å; N928-W930 WeakPolarHBondContact OD1-CB 3.35Å; N928-W930 PolarHBondContact OD1-N 3.33Å; N928-W930 VanDerWaalsContact OD1-N 3.09Å; W930-G933 PolarHBondContact O-N 3.49Å; W930-A934 VanDerWaalsContact O-CB 3.32Å; W930-A934 WeakPolarHBondContact O-CB 3.5Å; W930-A934 PolarHBondContact O-N 3.09Å
931L95.5Very high93.4Very high0 Ų070.6 Ų70.60%036%0.355CS..Hα-helixtrans-64.4-44.7175.5-177.563.4000111.6P801 A804 L805 A910 L911 L914 N928 I929 G933 A934 I935P801-L931 HydrophobicContact CB-CD1 4Å; A804-L931 HydrophobicContact CB-CB 4.26Å; A804-L931 HydrophobicContact CB-CD1 4.08Å; L805-L931 HydrophobicContact CD2-CD1 4.22Å; L805-L931 HydrophobicContact CD2-CD2 3.98Å; L805-L931 HydrophobicContact CG-CD1 4.2Å; A910-L931 HydrophobicContact CB-CD1 4.18Å; L911-L931 HydrophobicContact CD2-CD2 4.11Å; L914-L931 HydrophobicContact CD1-CD2 4.03Å; L914-L931 HydrophobicContact CD2-CD2 3.48Å; L914-L931 VanDerWaalsContact CD2-CD2 3.48Å; L914-L931 HydrophobicContact CG-CD2 3.56Å; N928-L931 HydrophobicContact CB-CB 4.02Å; N928-L931 WeakPolarHBondContact O-CB 3.36Å; N928-L931 PolarHBondContact O-N 3.22Å; N928-L931 VanDerWaalsContact O-N 3.15Å; N928-L931 PolarHBondContact OD1-N 3.12Å; N928-L931 VanDerWaalsContact OD1-N 3.13Å; I929-L931 VanDerWaalsContact C-N 3.31Å; I929-L931 PolarHBondContact O-N 3.22Å; L931-G933 VanDerWaalsContact C-N 3.33Å; L931-G933 PolarHBondContact O-N 3.5Å; L931-A934 PolarHBondContact O-N 2.9Å; L931-I935 HydrophobicContact CD1-CD1 4.23Å; L931-I935 HydrophobicContact CD1-CG1 4.39Å; L931-I935 HydrophobicContact CG-CD1 3.97Å; L931-I935 WeakPolarHBondContact O-CG1 3.48Å; L931-I935 PolarHBondContact O-N 3.26Å
932L95.6Very high93.7Very high61 Ų6162.9 Ų62.932%0.31932%0.315SS..Hα-helixtrans-61.9-42.7175.8-63.8179.9000111.6L911 P925 W926 N928 I929 I935 C936L911-L932 HydrophobicContact CD2-CD2 4.23Å; P925-L932 HydrophobicContact CB-CD2 4.13Å; W926-L932 HydrophobicContact CB-CD1 4.2Å; N928-L932 PolarHBondContact O-N 3.31Å; I929-L932 PolarHBondContact O-N 3.04Å; L932-I935 PolarHBondContact O-N 3.24Å; L932-C936 WeakPolarHBondContact O-CB 3.25Å; L932-C936 PolarHBondContact O-N 3.34Å; L932-C936 PolarHBondContact O-SG 3.02Å
933G96.6Very high94.2Very high43 Ų4357.9 Ų57.944%0.44330%0.298SS..Hα-helixtrans-61.2-42.5174.500000112.7I929 W930 L931 C936 L937I929-G933 PolarHBondContact O-N 3.19Å; W930-G933 PolarHBondContact O-N 3.49Å; L931-G933 VanDerWaalsContact C-N 3.33Å; L931-G933 PolarHBondContact O-N 3.5Å; G933-C936 PolarHBondContact O-N 3.19Å; G933-L937 WeakPolarHBondContact O-CB 3.47Å; G933-L937 PolarHBondContact O-N 3.02Å
934A96.1Very high94.7Very high12 Ų1259.6 Ų59.610%0.09931%0.307CS..Hα-helixtrans-65.8-44.1177.500000112.1L800 A804 W930 L931 C936 L937 S938L800-A934 HydrophobicContact CB-CB 4.39Å; A804-A934 HydrophobicContact CB-CB 3.62Å; W930-A934 VanDerWaalsContact O-CB 3.32Å; W930-A934 WeakPolarHBondContact O-CB 3.5Å; W930-A934 PolarHBondContact O-N 3.09Å; L931-A934 PolarHBondContact O-N 2.9Å; A934-C936 PolarHBondContact O-N 3.34Å; A934-L937 PolarHBondContact O-N 2.86Å; A934-S938 PolarHBondContact O-N 3.15Å; A934-S938 PolarHBondContact O-OG 2.78Å
935I96.5Very high95Very high24 Ų2458.7 Ų58.712%0.12330%0.301CS..Hα-helixtrans-60.1-46.2175.1-71168000110.7M907 A910 L911 L931 L932 L937 S938 M939M907-I935 HydrophobicContact CB-CG2 3.95Å; M907-I935 HydrophobicContact CG-CG2 3.99Å; M907-I935 HydrophobicContact SD-CB 4.11Å; M907-I935 HydrophobicContact SD-CG1 3.93Å; M907-I935 HydrophobicContact SD-CG2 3.96Å; A910-I935 HydrophobicContact CB-CD1 4.48Å; L911-I935 HydrophobicContact CD2-CD1 3.55Å; L911-I935 HydrophobicContact CG-CD1 3.88Å; L931-I935 HydrophobicContact CD1-CD1 4.23Å; L931-I935 HydrophobicContact CD1-CG1 4.39Å; L931-I935 HydrophobicContact CG-CD1 3.97Å; L931-I935 WeakPolarHBondContact O-CG1 3.48Å; L931-I935 PolarHBondContact O-N 3.26Å; L932-I935 PolarHBondContact O-N 3.24Å; I935-L937 VanDerWaalsContact C-N 3.29Å; I935-L937 PolarHBondContact O-N 3.42Å; I935-S938 PolarHBondContact O-N 3.38Å; I935-M939 WeakPolarHBondContact O-CB 3.22Å; I935-M939 WeakPolarHBondContact O-CG 3.46Å; I935-M939 PolarHBondContact O-N 3.14Å
936C96.9Very high95.1Very high81 Ų8157.2 Ų57.255%0.54729%0.292SS..Hα-helixtrans-60.2-40.1176.3-73.30000112L932 G933 A934 S940L932-C936 WeakPolarHBondContact O-CB 3.25Å; L932-C936 PolarHBondContact O-N 3.34Å; L932-C936 PolarHBondContact O-SG 3.02Å; G933-C936 PolarHBondContact O-N 3.19Å; A934-C936 PolarHBondContact O-N 3.34Å; C936-S940 WeakPolarHBondContact O-CB 3.27Å; C936-S940 PolarHBondContact O-N 3.41Å; C936-S940 PolarHBondContact O-OG 3.03Å
937L97Very high95.3Very high84 Ų8455.3 Ų55.344%0.4429%0.285SS..Hα-helixtrans-68.1-45.9177.1-178.259.4000111.5L800 G933 A934 I935 M939 S940 L941L800-L937 HydrophobicContact CD1-CB 4.4Å; L800-L937 HydrophobicContact CD1-CD2 3.76Å; L800-L937 HydrophobicContact CD1-CG 3.83Å; L800-L937 HydrophobicContact CD2-CD2 4.3Å; G933-L937 WeakPolarHBondContact O-CB 3.47Å; G933-L937 PolarHBondContact O-N 3.02Å; A934-L937 PolarHBondContact O-N 2.86Å; I935-L937 VanDerWaalsContact C-N 3.29Å; I935-L937 PolarHBondContact O-N 3.42Å; L937-M939 PolarHBondContact O-N 3.43Å; L937-S940 WeakPolarHBondContact O-CB 3.37Å; L937-S940 PolarHBondContact O-N 3.01Å; L937-S940 VanDerWaalsContact O-N 3.13Å; L937-L941 HydrophobicContact CD1-CD1 4.49Å; L937-L941 HydrophobicContact CD1-CG 4.38Å; L937-L941 HydrophobicContact CG-CD1 4.25Å; L937-L941 WeakPolarHBondContact O-CG 3.42Å; L937-L941 PolarHBondContact O-N 3.26Å
938S96.3Very high95.6Very high0 Ų053.4 Ų53.40%028%0.281CS..Hα-helixtrans-59.2-44.9175.9-69.30000112T797 P801 A934 I935 S940 L941 H942T797-S938 PolarHBondContact O-OG 3.36Å; P801-S938 WeakPolarHBondContact CD-OG 3.39Å; A934-S938 PolarHBondContact O-N 3.15Å; A934-S938 PolarHBondContact O-OG 2.78Å; I935-S938 PolarHBondContact O-N 3.38Å; S938-S940 VanDerWaalsContact C-N 3.33Å; S938-S940 PolarHBondContact O-N 3.42Å; S938-L941 PolarHBondContact O-N 3.47Å; S938-H942 PolarHBondContact O-N 2.87Å
939M96.6Very high95.5Very high40 Ų4061.5 Ų61.520%0.19732%0.319CS..Hα-helixtrans-64-37.9174.6-70.5-58.8-61.200112.1V903 M907 I935 L937 H942 F943V903-M939 HydrophobicContact CG1-SD 3.82Å; M907-M939 HydrophobicContact CG-CG 4.08Å; M907-M939 HydrophobicContact CG-SD 3.81Å; I935-M939 WeakPolarHBondContact O-CB 3.22Å; I935-M939 WeakPolarHBondContact O-CG 3.46Å; I935-M939 PolarHBondContact O-N 3.14Å; L937-M939 PolarHBondContact O-N 3.43Å; M939-H942 WeakPolarHBondContact O-CB 3.46Å; M939-H942 PolarHBondContact O-N 3.42Å; M939-F943 HydrophobicContact CE-CE2 4.31Å; M939-F943 HydrophobicContact CE-CZ 4.46Å; M939-F943 WeakPolarHBondContact O-CD2 3.4Å; M939-F943 PolarHBondContact O-N 2.71Å
940S97.1Very high95.2Very high72 Ų7259.5 Ų59.550%0.50331%0.314SS..Hα-helixtrans-65.6-38.5175.8-58.80000112.1C936 L937 S938 F943 L944C936-S940 WeakPolarHBondContact O-CB 3.27Å; C936-S940 PolarHBondContact O-N 3.41Å; C936-S940 PolarHBondContact O-OG 3.03Å; L937-S940 WeakPolarHBondContact O-CB 3.37Å; L937-S940 PolarHBondContact O-N 3.01Å; L937-S940 VanDerWaalsContact O-N 3.13Å; S938-S940 VanDerWaalsContact C-N 3.33Å; S938-S940 PolarHBondContact O-N 3.42Å; S940-F943 PolarHBondContact O-N 3.3Å; S940-L944 PolarHBondContact O-N 2.92Å
941L96Very high95Very high38 Ų3853.1 Ų53.120%0.19929%0.293CS..Hα-helixtrans-69-34.4174.2-70.9173.7000111.9W792 V796 L800 L937 S938 L944 I945W792-L941 HydrophobicContact CZ2-CB 4.41Å; V796-L941 HydrophobicContact CG1-CD1 3.71Å; L800-L941 HydrophobicContact CD1-CD1 3.75Å; L937-L941 HydrophobicContact CD1-CD1 4.49Å; L937-L941 HydrophobicContact CD1-CG 4.38Å; L937-L941 HydrophobicContact CG-CD1 4.25Å; L937-L941 WeakPolarHBondContact O-CG 3.42Å; L937-L941 PolarHBondContact O-N 3.26Å; S938-L941 PolarHBondContact O-N 3.47Å; L941-L944 HydrophobicContact CD2-CD2 4.03Å; L941-L944 VanDerWaalsContact O-CB 3.3Å; L941-L944 WeakPolarHBondContact O-CB 2.81Å; L941-L944 PolarHBondContact O-N 2.82Å; L941-I945 PolarHBondContact O-N 3.14Å
942H96.7Very high94.8Very high1 Ų154 Ų541%0.00530%0.299CS..Hα-helixtrans-62.5-44.4171-17262.8000111.5S900 V903 S938 M939 L944 I945 L946 W965S900-H942 PolarHBondContact OG-NE2 3.15Å; V903-H942 HydrophobicContact CG1-CB 4.22Å; S938-H942 PolarHBondContact O-N 2.87Å; M939-H942 WeakPolarHBondContact O-CB 3.46Å; M939-H942 PolarHBondContact O-N 3.42Å; H942-L944 VanDerWaalsContact C-N 3.29Å; H942-L944 PolarHBondContact O-N 3.48Å; H942-I945 WeakPolarHBondContact O-CG1 3.24Å; H942-I945 PolarHBondContact O-N 3.06Å; H942-L946 WeakPolarHBondContact O-CG 3.26Å; H942-L946 PolarHBondContact O-N 3.45Å; H942-W965 AromaticContact CD2-CH2 3.83Å; H942-W965 AromaticContact NE2-CH2 3.93Å
943F96.3Very high94.4Very high79 Ų7956 Ų5635%0.34631%0.313SS..Hα-helixtrans-65.4-33.2172.4-69.1-58.2000112.6M939 S940 L946 Y947 W965M939-F943 HydrophobicContact CE-CE2 4.31Å; M939-F943 HydrophobicContact CE-CZ 4.46Å; M939-F943 WeakPolarHBondContact O-CD2 3.4Å; M939-F943 PolarHBondContact O-N 2.71Å; S940-F943 PolarHBondContact O-N 3.3Å; F943-L946 HydrophobicContact CD1-CD1 4.4Å; F943-L946 PolarHBondContact O-N 3.42Å; F943-Y947 HydrophobicContact CB-CD2 4.28Å; F943-Y947 HydrophobicContact CD1-CD2 4.3Å; F943-Y947 AromaticContact CD1-CE2 3.83Å; F943-Y947 HydrophobicContact CD1-CE2 3.83Å; F943-Y947 VanDerWaalsContact O-CD2 3.3Å; F943-Y947 WeakPolarHBondContact O-CD2 3.23Å; F943-Y947 PolarHBondContact O-N 3.26Å; F943-W965 HydrophobicContact CD1-CZ2 4.18Å; F943-W965 AromaticContact CE1-CE2 3.89Å; F943-W965 AromaticContact CE1-CH2 3.97Å; F943-W965 HydrophobicContact CE1-CH2 3.97Å; F943-W965 AromaticContact CE1-CZ2 3.4Å; F943-W965 HydrophobicContact CE1-CZ2 3.4Å; F943-W965 VanDerWaalsContact CE1-CZ2 3.4Å; F943-W965 HydrophobicContact CZ-CH2 4.27Å; F943-W965 HydrophobicContact CZ-CZ2 4.09Å
944L95.4Very high94Very high75 Ų7557 Ų5739%0.39331%0.308SS..Hα-helixtrans-60.2-49.1175.8-174.377.2000111.3S940 L941 H942 L946 Y947 V948 L951S940-L944 PolarHBondContact O-N 2.92Å; L941-L944 HydrophobicContact CD2-CD2 4.03Å; L941-L944 VanDerWaalsContact O-CB 3.3Å; L941-L944 WeakPolarHBondContact O-CB 2.81Å; L941-L944 PolarHBondContact O-N 2.82Å; H942-L944 VanDerWaalsContact C-N 3.29Å; H942-L944 PolarHBondContact O-N 3.48Å; L944-L946 PolarHBondContact O-N 3.05Å; L944-Y947 PolarHBondContact O-N 3.42Å; L944-V948 HydrophobicContact CD1-CB 4.18Å; L944-V948 HydrophobicContact CD1-CG2 3.56Å; L944-V948 HydrophobicContact CG-CG2 4.33Å; L944-V948 WeakPolarHBondContact O-CB 3.48Å; L944-V948 PolarHBondContact O-N 3.3Å; L944-L951 HydrophobicContact CD2-CD1 4.35Å; L944-L951 HydrophobicContact CG-CD1 4.03Å
945I95Very high93.6Very high1 Ų157.1 Ų57.11%0.00531%0.306CS..Hα-helixtrans-67.2-23.2179.863.9168.7000112.7W792 L899 L941 H942 L951 P952 F955 I957W792-I945 HydrophobicContact CH2-CG2 4.42Å; W792-I945 HydrophobicContact CZ2-CG2 3.78Å; L899-I945 HydrophobicContact CD2-CD1 4.28Å; L941-I945 PolarHBondContact O-N 3.14Å; H942-I945 WeakPolarHBondContact O-CG1 3.24Å; H942-I945 PolarHBondContact O-N 3.06Å; I945-L951 HydrophobicContact CB-CB 4.38Å; I945-L951 HydrophobicContact CG2-CD1 4.24Å; I945-P952 WeakPolarHBondContact O-CD 3.33Å; I945-P952 VanDerWaalsContact O-CG 3.28Å; I945-P952 WeakPolarHBondContact O-CG 3.37Å; I945-F955 HydrophobicContact CB-CD2 4.13Å; I945-F955 HydrophobicContact CB-CE2 4.3Å; I945-F955 HydrophobicContact CG2-CD2 4.2Å; I945-F955 HydrophobicContact CG2-CE2 3.84Å; I945-I957 HydrophobicContact CB-CD1 4.1Å; I945-I957 HydrophobicContact CD1-CD1 3.75Å; I945-I957 HydrophobicContact CG1-CD1 3.79Å
946L94Very high93.2Very high1 Ų159.9 Ų59.91%0.00532%0.318CS..Hα-helixtrans-82-38.2177-71.5172.3000113.9T896 H942 F943 L944 P952 I957 P959 W965T896-L946 HydrophobicContact CG2-CD2 3.49Å; T896-L946 VanDerWaalsContact CG2-CD2 3.49Å; H942-L946 WeakPolarHBondContact O-CG 3.26Å; H942-L946 PolarHBondContact O-N 3.45Å; F943-L946 HydrophobicContact CD1-CD1 4.4Å; F943-L946 PolarHBondContact O-N 3.42Å; L944-L946 PolarHBondContact O-N 3.05Å; L946-P952 VanDerWaalsContact O-CG 3.29Å; L946-P952 WeakPolarHBondContact O-CG 3.33Å; L946-I957 HydrophobicContact CD2-CB 4.15Å; L946-I957 HydrophobicContact CD2-CD1 3.84Å; L946-I957 HydrophobicContact CD2-CG1 4.12Å; L946-I957 HydrophobicContact CG-CD1 4.43Å; L946-P959 WeakPolarHBondContact O-CG 3.29Å; L946-W965 HydrophobicContact CD1-CZ2 3.98Å
947Y94.1Very high93.1Very high132 Ų13256.4 Ų56.452%0.51829%0.294SS..Hα-helixtrans-108.4-15.4-168.2-72.3-76.6000114.9F943 L944 P959F943-Y947 HydrophobicContact CB-CD2 4.28Å; F943-Y947 HydrophobicContact CD1-CD2 4.3Å; F943-Y947 AromaticContact CD1-CE2 3.83Å; F943-Y947 HydrophobicContact CD1-CE2 3.83Å; F943-Y947 VanDerWaalsContact O-CD2 3.3Å; F943-Y947 WeakPolarHBondContact O-CD2 3.23Å; F943-Y947 PolarHBondContact O-N 3.26Å; L944-Y947 PolarHBondContact O-N 3.42Å; Y947-P959 HydrophobicContact CD1-CB 4.21Å; Y947-P959 HydrophobicContact CD1-CG 4.11Å; Y947-P959 HydrophobicContact CE1-CB 3.69Å; Y947-P959 HydrophobicContact CE1-CG 4.1Å
948V94.4Very high92.9Very high69 Ų6953.6 Ų53.642%0.41828%0.281SS..SBendtrans-104.3105.8-175.5-178.90000111.3L944 L951 P952L944-V948 HydrophobicContact CD1-CB 4.18Å; L944-V948 HydrophobicContact CD1-CG2 3.56Å; L944-V948 HydrophobicContact CG-CG2 4.33Å; L944-V948 WeakPolarHBondContact O-CB 3.48Å; L944-V948 PolarHBondContact O-N 3.3Å; V948-L951 HydrophobicContact CB-CD1 4.36Å; V948-L951 WeakPolarHBondContact O-CB 3.39Å; V948-L951 WeakPolarHBondContact O-CG 3.4Å; V948-L951 PolarHBondContact O-N 2.9Å; V948-P952 VanDerWaalsContact O-CD 3.25Å; V948-P952 WeakPolarHBondContact O-CD 3.32Å
949E90.4Very high92.9Very high172 Ų17255.8 Ų55.880%0.80430%0.295SS*.THydrogen-bonded Turntrans-59.9132.4168.7-66.5-175.7-179.200110.3
950P89.4Confident92.7Very high86 Ų8654.1 Ų54.156%0.55829%0.287SS*.THydrogen-bonded Turncis-99.410.717.238.3-36.4000116V953P950-V953 PolarHBondContact O-N 3.19Å
951L89.6Confident92.5Very high45 Ų4554.9 Ų54.924%0.23629%0.285CS..Hα-helixtrans-61.5-42.2-169.8-58.3171.2000114.8L944 I945 V948 V953 I954 F955L944-L951 HydrophobicContact CD2-CD1 4.35Å; L944-L951 HydrophobicContact CG-CD1 4.03Å; I945-L951 HydrophobicContact CB-CB 4.38Å; I945-L951 HydrophobicContact CG2-CD1 4.24Å; V948-L951 HydrophobicContact CB-CD1 4.36Å; V948-L951 WeakPolarHBondContact O-CB 3.39Å; V948-L951 WeakPolarHBondContact O-CG 3.4Å; V948-L951 PolarHBondContact O-N 2.9Å; L951-V953 PolarHBondContact O-N 2.85Å; L951-I954 PolarHBondContact O-N 2.94Å; L951-F955 HydrophobicContact CB-CD2 4.44Å; L951-F955 HydrophobicContact CD2-CE2 4.5Å; L951-F955 VanDerWaalsContact O-CD2 3.32Å; L951-F955 WeakPolarHBondContact O-CD2 3.45Å; L951-F955 PolarHBondContact O-N 3.06Å; L951-F955 VanDerWaalsContact O-N 3.1Å
952P91Very high92.3Very high19 Ų1958.6 Ų58.612%0.12331%0.31CS..Hα-helixtrans-59.7-31.5-178.9-22.630.5000113.5I945 L946 V948 Q956 I957I945-P952 WeakPolarHBondContact O-CD 3.33Å; I945-P952 VanDerWaalsContact O-CG 3.28Å; I945-P952 WeakPolarHBondContact O-CG 3.37Å; L946-P952 VanDerWaalsContact O-CG 3.29Å; L946-P952 WeakPolarHBondContact O-CG 3.33Å; V948-P952 VanDerWaalsContact O-CD 3.25Å; V948-P952 WeakPolarHBondContact O-CD 3.32Å; P952-Q956 WeakPolarHBondContact O-CA 3.43Å; P952-Q956 PolarHBondContact O-N 3.37Å; P952-I957 HydrophobicContact CB-CG1 4.16Å; P952-I957 WeakPolarHBondContact CB-O 3.23Å; P952-I957 PolarHBondContact O-N 3.5Å
953V87.6Confident92.1Very high102 Ų10263 Ų6362%0.61834%0.337SS*.Hα-helixtrans-68.6-42.6177.1-179.10000110.9P950 L951 F955 Q956P950-V953 PolarHBondContact O-N 3.19Å; L951-V953 PolarHBondContact O-N 2.85Å; V953-F955 VanDerWaalsContact C-N 3.33Å; V953-F955 PolarHBondContact O-N 2.99Å; V953-Q956 PolarHBondContact O-N 2.97Å
954I87.3Confident92Very high63 Ų6359.4 Ų59.432%0.32332%0.321SS..Hα-helixtrans-65.9-39.4-179.8-61.8172.4000110.9V89 L951V89-I954 HydrophobicContact CG1-CG2 4.09Å; L951-I954 PolarHBondContact O-N 2.94Å
955F88.4Confident92Very high16 Ų1657.6 Ų57.67%0.0731%0.309CS..Hα-helixtrans-91.1-1.3-178.3-70.7-73.4000114V788 Q789 W792 I945 L951 V953 I957V788-F955 HydrophobicContact CG1-CD1 3.86Å; V788-F955 HydrophobicContact CG1-CE1 3.81Å; Q789-F955 HydrophobicContact CG-CD1 4.41Å; Q789-F955 PolarHBondContact NE2-O 3.38Å; W792-F955 HydrophobicContact CB-CE1 3.64Å; W792-F955 HydrophobicContact CB-CZ 4.1Å; W792-F955 HydrophobicContact CD2-CE1 4.32Å; W792-F955 AromaticContact CD2-CZ 3.87Å; W792-F955 HydrophobicContact CD2-CZ 3.87Å; W792-F955 HydrophobicContact CE3-CE1 4.48Å; W792-F955 AromaticContact CE3-CZ 3.78Å; W792-F955 HydrophobicContact CE3-CZ 3.78Å; W792-F955 AromaticContact CG-CE1 3.98Å; W792-F955 HydrophobicContact CG-CE1 3.98Å; W792-F955 HydrophobicContact CG-CZ 4.02Å; W792-F955 HydrophobicContact CZ3-CZ 4.49Å; I945-F955 HydrophobicContact CB-CD2 4.13Å; I945-F955 HydrophobicContact CB-CE2 4.3Å; I945-F955 HydrophobicContact CG2-CD2 4.2Å; I945-F955 HydrophobicContact CG2-CE2 3.84Å; L951-F955 HydrophobicContact CB-CD2 4.44Å; L951-F955 HydrophobicContact CD2-CE2 4.5Å; L951-F955 VanDerWaalsContact O-CD2 3.32Å; L951-F955 WeakPolarHBondContact O-CD2 3.45Å; L951-F955 PolarHBondContact O-N 3.06Å; L951-F955 VanDerWaalsContact O-N 3.1Å; V953-F955 VanDerWaalsContact C-N 3.33Å; V953-F955 PolarHBondContact O-N 2.99Å; F955-I957 VanDerWaalsContact C-N 3.33Å; F955-I957 HydrophobicContact CB-CD1 3.69Å; F955-I957 HydrophobicContact CB-CG1 3.82Å; F955-I957 HydrophobicContact CB-CG2 4.39Å; F955-I957 HydrophobicContact CG-CD1 4.42Å; F955-I957 PolarHBondContact O-N 3.36Å
956Q88.9Confident92Very high81 Ų8162.3 Ų62.338%0.37933%0.332SS..THydrogen-bonded Turntrans51.847.2-173.5-60.8-174.7-14.600113.2I786 P892 M895 P952 V953I786-Q956 HydrophobicContact CD1-CB 4.17Å; I786-Q956 HydrophobicContact CD1-CG 4.2Å; P892-Q956 VanDerWaalsContact CB-O 3.3Å; P892-Q956 WeakPolarHBondContact CB-O 3.39Å; M895-Q956 HydrophobicContact CE-CB 3.92Å; P952-Q956 WeakPolarHBondContact O-CA 3.43Å; P952-Q956 PolarHBondContact O-N 3.37Å; V953-Q956 PolarHBondContact O-N 2.97Å
957I93.6Very high92Very high8 Ų864.3 Ų64.34%0.04134%0.342CS..  trans-124.9164.7-179.458.8-175.3000111.7T896 L899 I945 L946 P952 F955T896-I957 HydrophobicContact CG2-CB 4.37Å; T896-I957 VanDerWaalsContact OG1-CA 3.28Å; T896-I957 WeakPolarHBondContact OG1-CA 3.45Å; T896-I957 WeakPolarHBondContact OG1-CB 3.49Å; L899-I957 HydrophobicContact CD2-CD1 4.37Å; L899-I957 HydrophobicContact CD2-CG2 3.92Å; I945-I957 HydrophobicContact CB-CD1 4.1Å; I945-I957 HydrophobicContact CD1-CD1 3.75Å; I945-I957 HydrophobicContact CG1-CD1 3.79Å; L946-I957 HydrophobicContact CD2-CB 4.15Å; L946-I957 HydrophobicContact CD2-CD1 3.84Å; L946-I957 HydrophobicContact CD2-CG1 4.12Å; L946-I957 HydrophobicContact CG-CD1 4.43Å; P952-I957 HydrophobicContact CB-CG1 4.16Å; P952-I957 WeakPolarHBondContact CB-O 3.23Å; P952-I957 PolarHBondContact O-N 3.5Å; F955-I957 VanDerWaalsContact C-N 3.33Å; F955-I957 HydrophobicContact CB-CD1 3.69Å; F955-I957 HydrophobicContact CB-CG1 3.82Å; F955-I957 HydrophobicContact CB-CG2 4.39Å; F955-I957 HydrophobicContact CG-CD1 4.42Å; F955-I957 PolarHBondContact O-N 3.36Å
958T94.1Very high92.2Very high25 Ų2558 Ų5815%0.15332%0.318CS..  trans-143.6147.6-178.5-175.40000110.8P892 Y893 T896 L960P892-T958 HydrophobicContact CB-CG2 4.18Å; P892-T958 HydrophobicContact CG-CG2 3.98Å; Y893-T958 HydrophobicContact CD1-CG2 3.42Å; Y893-T958 VanDerWaalsContact CD1-CG2 3.42Å; Y893-T958 HydrophobicContact CD2-CG2 3.8Å; Y893-T958 HydrophobicContact CE1-CG2 3.52Å; Y893-T958 HydrophobicContact CE2-CG2 3.89Å; Y893-T958 HydrophobicContact CG-CG2 3.56Å; T896-T958 VanDerWaalsContact CG2-O 3.29Å; T896-T958 WeakPolarHBondContact CG2-O 3.43Å; T896-T958 PolarHBondContact OG1-N 3.41Å; T896-T958 PolarHBondContact OG1-O 3.46Å; T958-L960 PolarHBondContact O-N 2.93Å
959P94.6Very high92.2Very high46 Ų4658.2 Ų58.230%0.29932%0.316SS..PPolyproline II helixtrans-53139.3176.8-27.334.2000113.7L946 Y947L946-P959 WeakPolarHBondContact O-CG 3.29Å; Y947-P959 HydrophobicContact CD1-CB 4.21Å; Y947-P959 HydrophobicContact CD1-CG 4.11Å; Y947-P959 HydrophobicContact CE1-CB 3.69Å; Y947-P959 HydrophobicContact CE1-CG 4.1Å
960L93.6Very high92.5Very high5 Ų556.7 Ų56.73%0.02631%0.307CS..PPolyproline II helixtrans-96.6145.3176.5-62.7-179.6000112.3T896 M897 S900 T958 Q964 W965 V968T896-L960 HydrophobicContact CG2-CD1 4.01Å; T896-L960 HydrophobicContact CG2-CD2 3.77Å; T896-L960 HydrophobicContact CG2-CG 3.67Å; M897-L960 HydrophobicContact CG-CD2 4.22Å; M897-L960 HydrophobicContact SD-CD1 3.96Å; M897-L960 HydrophobicContact SD-CD2 3.87Å; S900-L960 WeakPolarHBondContact OG-CD1 3.39Å; T958-L960 PolarHBondContact O-N 2.93Å; L960-Q964 HydrophobicContact CB-CB 4.17Å; L960-Q964 HydrophobicContact CD2-CB 4.33Å; L960-W965 HydrophobicContact CB-CG 4.45Å; L960-W965 HydrophobicContact CD1-CZ2 4.38Å; L960-V968 HydrophobicContact CD1-CG2 4.21Å
961D92.8Very high92.8Very high89 Ų8954.1 Ų54.148%0.47629%0.288SS..PPolyproline II helixtrans-83165.1177-74.523000111.9T963 Q964 W965D961-T963 VanDerWaalsContact C-N 3.27Å; D961-T963 PolarHBondContact O-N 3.08Å; D961-Q964 HydrophobicContact CB-CG 4.5Å; D961-Q964 WeakPolarHBondContact O-CB 3.35Å; D961-Q964 PolarHBondContact O-N 2.94Å; D961-Q964 VanDerWaalsContact O-N 3.08Å; D961-W965 PolarHBondContact O-N 3.45Å
962T92.3Very high93.1Very high115 Ų11552 Ų5271%0.70628%0.277SS*.Hα-helixtrans-57.2-38.1-178.2-490000112.9W965 M966T962-W965 PolarHBondContact O-N 3.34Å; T962-M966 WeakPolarHBondContact O-CG 3.49Å; T962-M966 PolarHBondContact O-N 3.22Å
963T92.1Very high93.4Very high95 Ų9555.2 Ų55.258%0.58329%0.292SS*.Hα-helixtrans-65.1-41.4178.2-53.50000111.4D961 M966 M967D961-T963 VanDerWaalsContact C-N 3.27Å; D961-T963 PolarHBondContact O-N 3.08Å; T963-M966 PolarHBondContact O-N 3.19Å; T963-M967 PolarHBondContact O-N 2.91Å; T963-M967 VanDerWaalsContact O-N 3.13Å
964Q93.6Very high93.8Very high3 Ų352.7 Ų52.71%0.01428%0.278CS..Hα-helixtrans-67.5-45.3178.6-66167.5-4.100110.3M897 L960 D961 M966 M967 V968M897-Q964 HydrophobicContact SD-CB 3.77Å; M897-Q964 HydrophobicContact SD-CG 4.33Å; L960-Q964 HydrophobicContact CB-CB 4.17Å; L960-Q964 HydrophobicContact CD2-CB 4.33Å; D961-Q964 HydrophobicContact CB-CG 4.5Å; D961-Q964 WeakPolarHBondContact O-CB 3.35Å; D961-Q964 PolarHBondContact O-N 2.94Å; D961-Q964 VanDerWaalsContact O-N 3.08Å; Q964-M966 VanDerWaalsContact C-N 3.33Å; Q964-M966 PolarHBondContact O-N 3.27Å; Q964-M967 WeakPolarHBondContact O-CA 3.08Å; Q964-M967 WeakPolarHBondContact O-CB 3.3Å; Q964-M967 PolarHBondContact O-N 3.11Å; Q964-V968 WeakPolarHBondContact O-CG2 3.4Å; Q964-V968 PolarHBondContact O-N 3.31Å
965W95.4Very high94.2Very high37 Ų3749.7 Ų49.714%0.1426%0.263CS..Hα-helixtrans-59.5-38.9172.5-86.3112.3000113.6H942 F943 L946 L960 D961 T962 M967 V968 L969H942-W965 AromaticContact CD2-CH2 3.83Å; H942-W965 AromaticContact NE2-CH2 3.93Å; F943-W965 HydrophobicContact CD1-CZ2 4.18Å; F943-W965 AromaticContact CE1-CE2 3.89Å; F943-W965 AromaticContact CE1-CH2 3.97Å; F943-W965 HydrophobicContact CE1-CH2 3.97Å; F943-W965 AromaticContact CE1-CZ2 3.4Å; F943-W965 HydrophobicContact CE1-CZ2 3.4Å; F943-W965 VanDerWaalsContact CE1-CZ2 3.4Å; F943-W965 HydrophobicContact CZ-CH2 4.27Å; F943-W965 HydrophobicContact CZ-CZ2 4.09Å; L946-W965 HydrophobicContact CD1-CZ2 3.98Å; L960-W965 HydrophobicContact CB-CG 4.45Å; L960-W965 HydrophobicContact CD1-CZ2 4.38Å; D961-W965 PolarHBondContact O-N 3.45Å; T962-W965 PolarHBondContact O-N 3.34Å; W965-M967 VanDerWaalsContact C-N 3.26Å; W965-M967 PolarHBondContact O-N 3Å; W965-V968 HydrophobicContact CE3-CB 4.17Å; W965-V968 HydrophobicContact CE3-CG1 4.11Å; W965-V968 HydrophobicContact CZ3-CG1 4.03Å; W965-V968 WeakPolarHBondContact O-CB 3.44Å; W965-V968 PolarHBondContact O-N 3.12Å; W965-L969 WeakPolarHBondContact O-CG 3.43Å; W965-L969 PolarHBondContact O-N 2.05Å
966M95.4Very high94.5Very high99 Ų9950.8 Ų50.849%0.48827%0.269SS..Hα-helixtrans-63.5-34174.4-79-63-63.200112.2T962 T963 Q964 K970T962-M966 WeakPolarHBondContact O-CG 3.49Å; T962-M966 PolarHBondContact O-N 3.22Å; T963-M966 PolarHBondContact O-N 3.19Å; Q964-M966 VanDerWaalsContact C-N 3.33Å; Q964-M966 PolarHBondContact O-N 3.27Å; M966-K970 WeakPolarHBondContact O-CB 3.42Å; M966-K970 VanDerWaalsContact O-CG 3.25Å; M966-K970 WeakPolarHBondContact O-CG 3.29Å; M966-K970 PolarHBondContact O-N 3.1Å; M966-K970 VanDerWaalsContact O-N 3.13Å
967M94.4Very high94.8Very high44 Ų4452.7 Ų52.722%0.21728%0.281CS..Hα-helixtrans-68.8-44.2172.8-174.359.4-17500111.2W852 M897 T963 Q964 W965 L969 K970 I971W852-M967 HydrophobicContact CD2-CE 4.26Å; W852-M967 HydrophobicContact CD2-CG 3.91Å; W852-M967 HydrophobicContact CE3-CG 4.05Å; W852-M967 HydrophobicContact CG-CE 3.92Å; W852-M967 HydrophobicContact CH2-CB 4.17Å; W852-M967 HydrophobicContact CH2-CG 4.23Å; W852-M967 HydrophobicContact CZ2-CB 4.32Å; W852-M967 HydrophobicContact CZ2-CG 4.08Å; W852-M967 HydrophobicContact CZ3-CB 4.34Å; W852-M967 HydrophobicContact CZ3-CG 4.2Å; M897-M967 HydrophobicContact CE-CB 4.22Å; M897-M967 HydrophobicContact CE-CG 4.23Å; T963-M967 PolarHBondContact O-N 2.91Å; T963-M967 VanDerWaalsContact O-N 3.13Å; Q964-M967 WeakPolarHBondContact O-CA 3.08Å; Q964-M967 WeakPolarHBondContact O-CB 3.3Å; Q964-M967 PolarHBondContact O-N 3.11Å; W965-M967 VanDerWaalsContact C-N 3.26Å; W965-M967 PolarHBondContact O-N 3Å; M967-L969 VanDerWaalsContact C-N 3.32Å; M967-L969 PolarHBondContact O-N 3.16Å; M967-K970 PolarHBondContact O-N 3.17Å; M967-I971 WeakPolarHBondContact O-CG2 3.25Å; M967-I971 PolarHBondContact O-N 3.45Å
968V96.6Very high94.9Very high0 Ų054.9 Ų54.90%029%0.292CS..Hα-helixtrans-54.2-47.3174.2173.40000111.1M897 S900 V901 T904 L960 Q964 W965 I971 S972M897-V968 HydrophobicContact CE-CG2 3.9Å; M897-V968 HydrophobicContact SD-CG2 4.06Å; S900-V968 WeakPolarHBondContact O-CG1 3.02Å; V901-V968 HydrophobicContact CG2-CB 4.26Å; V901-V968 HydrophobicContact CG2-CG1 4.02Å; V901-V968 HydrophobicContact CG2-CG2 4.1Å; T904-V968 WeakPolarHBondContact OG1-CG1 3.37Å; L960-V968 HydrophobicContact CD1-CG2 4.21Å; Q964-V968 WeakPolarHBondContact O-CG2 3.4Å; Q964-V968 PolarHBondContact O-N 3.31Å; W965-V968 HydrophobicContact CE3-CB 4.17Å; W965-V968 HydrophobicContact CE3-CG1 4.11Å; W965-V968 HydrophobicContact CZ3-CG1 4.03Å; W965-V968 WeakPolarHBondContact O-CB 3.44Å; W965-V968 PolarHBondContact O-N 3.12Å; V968-I971 WeakPolarHBondContact O-CG2 3.06Å; V968-I971 PolarHBondContact O-N 3.42Å; V968-S972 WeakPolarHBondContact O-CB 3.32Å; V968-S972 PolarHBondContact O-N 3.49Å; V968-S972 PolarHBondContact O-OG 3.06Å
969L96.2Very high94.8Very high72 Ų7253.7 Ų53.738%0.37729%0.285SS..Hα-helixtrans-65.5-40.9178.6-68.9177.2000112.8T904 W965 M967 I971 S972 L973T904-L969 HydrophobicContact CG2-CD2 4.16Å; W965-L969 WeakPolarHBondContact O-CG 3.43Å; W965-L969 PolarHBondContact O-N 2.05Å; M967-L969 VanDerWaalsContact C-N 3.32Å; M967-L969 PolarHBondContact O-N 3.16Å; L969-I971 VanDerWaalsContact C-N 3.34Å; L969-I971 PolarHBondContact O-N 2.96Å; L969-S972 PolarHBondContact O-N 3.1Å; L969-L973 HydrophobicContact CB-CD1 4.45Å; L969-L973 WeakPolarHBondContact O-CB 3.06Å; L969-L973 WeakPolarHBondContact O-CG 3.47Å; L969-L973 PolarHBondContact O-N 2.79Å
970K95.8Very high94.8Very high141 Ų14153 Ų5361%0.61328%0.278SS*.Hα-helixtrans-63.1-38.9179.7-79.2173.2-179.3178.10112.7M966 M967 P974M966-K970 WeakPolarHBondContact O-CB 3.42Å; M966-K970 VanDerWaalsContact O-CG 3.25Å; M966-K970 WeakPolarHBondContact O-CG 3.29Å; M966-K970 PolarHBondContact O-N 3.1Å; M966-K970 VanDerWaalsContact O-N 3.13Å; M967-K970 PolarHBondContact O-N 3.17Å; K970-P974 VanDerWaalsContact O-CD 3.23Å; K970-P974 WeakPolarHBondContact O-CD 3.2Å; K970-P974 VanDerWaalsContact O-CG 3.31Å; K970-P974 WeakPolarHBondContact O-CG 3.45Å
971I95.8Very high94.8Very high32 Ų3258.5 Ų58.516%0.16431%0.307CS..Hα-helixtrans-83.4-23.6179.4-159.3170.4000112.2Y841 A845 A849 V901 M967 V968 L969Y841-I971 PolarHBondContact OH-O 2.95Å; A845-I971 HydrophobicContact CB-CD1 4.09Å; A845-I971 HydrophobicContact CB-CG1 3.98Å; A845-I971 WeakPolarHBondContact O-CD1 3.23Å; A849-I971 HydrophobicContact CB-CD1 4.45Å; V901-I971 HydrophobicContact CB-CG2 4.33Å; V901-I971 HydrophobicContact CG1-CG2 3.93Å; V901-I971 HydrophobicContact CG2-CG2 3.39Å; M967-I971 WeakPolarHBondContact O-CG2 3.25Å; M967-I971 PolarHBondContact O-N 3.45Å; V968-I971 WeakPolarHBondContact O-CG2 3.06Å; V968-I971 PolarHBondContact O-N 3.42Å; L969-I971 VanDerWaalsContact C-N 3.34Å; L969-I971 PolarHBondContact O-N 2.96Å
972S96.7Very high94.8Very high0 Ų055.3 Ų55.30%029%0.29CS..Hα-helixtrans-90-47.3-175.4-54.20000113.8T904 V968 L969 P974 V975T904-S972 VanDerWaalsContact CG2-CB 3.41Å; V968-S972 WeakPolarHBondContact O-CB 3.32Å; V968-S972 PolarHBondContact O-N 3.49Å; V968-S972 PolarHBondContact O-OG 3.06Å; L969-S972 PolarHBondContact O-N 3.1Å; S972-P974 VanDerWaalsContact C-N 3.34Å; S972-V975 VanDerWaalsContact O-CG1 3.23Å; S972-V975 WeakPolarHBondContact O-CG1 3.1Å; S972-V975 PolarHBondContact O-N 3.28Å; S972-V975 VanDerWaalsContact O-N 3.17Å
973L95.6Very high94.7Very high87 Ų8749.9 Ų49.946%0.45526%0.256SS..THydrogen-bonded Turntrans-56.4-32-175.5-70.5174.7000115.9L969 V975 I976L969-L973 HydrophobicContact CB-CD1 4.45Å; L969-L973 WeakPolarHBondContact O-CB 3.06Å; L969-L973 WeakPolarHBondContact O-CG 3.47Å; L969-L973 PolarHBondContact O-N 2.79Å; L973-V975 PolarHBondContact O-N 3.42Å; L973-I976 PolarHBondContact O-N 3.44Å; L973-I976 VanDerWaalsContact O-N 3.14Å
974P96.6Very high94.5Very high49 Ų4950.3 Ų50.332%0.31825%0.25SS..Hα-helixtrans-60.1-16.6178.3-2433.9000114.7Y841 K970 S972 I976 L977 L978Y841-P974 WeakPolarHBondContact OH-CB 3.43Å; K970-P974 VanDerWaalsContact O-CD 3.23Å; K970-P974 WeakPolarHBondContact O-CD 3.2Å; K970-P974 VanDerWaalsContact O-CG 3.31Å; K970-P974 WeakPolarHBondContact O-CG 3.45Å; S972-P974 VanDerWaalsContact C-N 3.34Å; P974-I976 PolarHBondContact O-N 2.73Å; P974-L977 PolarHBondContact O-N 2.97Å; P974-L977 VanDerWaalsContact O-N 3.08Å; P974-L978 PolarHBondContact O-N 2.91Å
975V95.5Very high94.4Very high0 Ų051.5 Ų51.50%026%0.26CS..Hα-helixtrans-59-32.5174.576.40000112.4I838 Y841 I905 C908 N912 S972 L973 L978 D979I838-V975 HydrophobicContact CG2-CG2 4.08Å; Y841-V975 HydrophobicContact CD1-CB 4.14Å; Y841-V975 HydrophobicContact CD1-CG2 4.12Å; Y841-V975 HydrophobicContact CE1-CB 3.96Å; Y841-V975 HydrophobicContact CE1-CG2 4.45Å; I905-V975 HydrophobicContact CG2-CB 4.31Å; I905-V975 HydrophobicContact CG2-CG1 4.21Å; I905-V975 HydrophobicContact CG2-CG2 4.09Å; C908-V975 HydrophobicContact CB-CG1 3.49Å; C908-V975 VanDerWaalsContact CB-CG1 3.49Å; N912-V975 PolarHBondContact ND2-O 3.26Å; S972-V975 VanDerWaalsContact O-CG1 3.23Å; S972-V975 WeakPolarHBondContact O-CG1 3.1Å; S972-V975 PolarHBondContact O-N 3.28Å; S972-V975 VanDerWaalsContact O-N 3.17Å; L973-V975 PolarHBondContact O-N 3.42Å; V975-L978 PolarHBondContact O-N 3.17Å; V975-D979 WeakPolarHBondContact O-CB 3.4Å; V975-D979 PolarHBondContact O-N 2.94Å
976I95.2Very high93.9Very high39 Ų3949.9 Ų49.920%0.226%0.255CS..Hα-helixtrans-64.6-44.9175.4-59.8179.7000110.2C908 L920 L973 P974 D979 E980C908-I976 HydrophobicContact CB-CD1 3.96Å; C908-I976 HydrophobicContact CB-CG1 3.72Å; L920-I976 HydrophobicContact CD1-CG2 3.85Å; L973-I976 PolarHBondContact O-N 3.44Å; L973-I976 VanDerWaalsContact O-N 3.14Å; P974-I976 PolarHBondContact O-N 2.73Å; I976-D979 PolarHBondContact O-N 3.33Å; I976-E980 WeakPolarHBondContact O-CB 3.4Å; I976-E980 WeakPolarHBondContact O-CG 3.17Å; I976-E980 PolarHBondContact O-N 3.46Å
977L94.8Very high93.4Very high121 Ų12147.2 Ų47.263%0.63424%0.239SC*.Hα-helixtrans-67.5-40.6179.7-63.7175.9000111.4P974 E980 L981P974-L977 PolarHBondContact O-N 2.97Å; P974-L977 VanDerWaalsContact O-N 3.08Å; L977-E980 PolarHBondContact O-N 2.96Å; L977-L981 VanDerWaalsContact O-CG 3.31Å; L977-L981 WeakPolarHBondContact O-CG 3.13Å; L977-L981 PolarHBondContact O-N 3.44Å; L977-L981 VanDerWaalsContact O-N 3.07Å
978L94.9Very high92.9Very high53 Ų5348.3 Ų48.328%0.27725%0.246SC..Hα-helixtrans-57.6-51.3175.2176.561.9000110.6Y841 P974 V975 L981 L982Y841-L978 HydrophobicContact CD2-CD2 4.42Å; Y841-L978 HydrophobicContact CG-CD2 4.12Å; P974-L978 PolarHBondContact O-N 2.91Å; V975-L978 PolarHBondContact O-N 3.17Å; L978-L981 PolarHBondContact O-N 3.27Å; L978-L982 HydrophobicContact CD1-CD1 4.37Å; L978-L982 HydrophobicContact CG-CD1 4.27Å; L978-L982 WeakPolarHBondContact O-CG 3.29Å; L978-L982 PolarHBondContact O-N 3.26Å; L978-L982 VanDerWaalsContact O-N 3.12Å
979D93.4Very high92.3Very high0 Ų056.9 Ų56.90%028%0.28CS..Hα-helixtrans-68.4-38.1-178.3-168.359.6000112.9R834 I838 N912 V975 I976 L981 L982 K983R834-D979 IonicContact CZ-OD1 3.12Å; R834-D979 IonicContact CZ-OD2 3.74Å; R834-D979 IonicContact NE-OD1 2.66Å; R834-D979 PolarHBondContact NE-OD1 2.97Å; R834-D979 IonicContact NH2-OD1 2.81Å; R834-D979 PolarHBondContact NH2-OD1 3.03Å; R834-D979 IonicContact NH2-OD2 2.74Å; R834-D979 PolarHBondContact NH2-OD2 3.29Å; I838-D979 HydrophobicContact CD1-CB 4.34Å; I838-D979 VanDerWaalsContact CD1-OD1 3.26Å; I838-D979 WeakPolarHBondContact CD1-OD1 3.3Å; N912-D979 HydrophobicContact CB-CB 4.24Å; N912-D979 VanDerWaalsContact CB-OD2 3.3Å; N912-D979 WeakPolarHBondContact CB-OD2 3.47Å; N912-D979 VanDerWaalsContact ND2-CB 3.28Å; N912-D979 WeakPolarHBondContact ND2-CB 3.24Å; V975-D979 WeakPolarHBondContact O-CB 3.4Å; V975-D979 PolarHBondContact O-N 2.94Å; I976-D979 PolarHBondContact O-N 3.33Å; D979-L981 VanDerWaalsContact C-N 3.3Å; D979-L981 PolarHBondContact O-N 3.31Å; D979-L982 PolarHBondContact O-N 3.32Å; D979-L982 VanDerWaalsContact O-N 3.12Å; D979-K983 WeakPolarHBondContact O-CG 3.28Å; D979-K983 PolarHBondContact O-N 3.45Å; D979-K983 WeakPolarHBondContact OD2-CE 3.21Å; D979-K983 IonicContact OD2-NZ 3.82Å
980E93.9Very high91.4Very high32 Ų3257.3 Ų57.315%0.1528%0.282CS..Hα-helixtrans-61-38174.8-83.9-61.8152.600112.7S919 L920 I976 L977 F984S919-E980 VanDerWaalsContact CA-OE1 3.28Å; S919-E980 WeakPolarHBondContact CA-OE1 3.28Å; S919-E980 WeakPolarHBondContact CA-OE2 3.35Å; S919-E980 WeakPolarHBondContact CB-OE2 3.25Å; S919-E980 VanDerWaalsContact OG-CD 3.23Å; S919-E980 PolarHBondContact OG-OE1 3.47Å; S919-E980 PolarHBondContact OG-OE2 2.99Å; L920-E980 PolarHBondContact N-OE1 3.05Å; I976-E980 WeakPolarHBondContact O-CB 3.4Å; I976-E980 WeakPolarHBondContact O-CG 3.17Å; I976-E980 PolarHBondContact O-N 3.46Å; L977-E980 PolarHBondContact O-N 2.96Å; E980-F984 VanDerWaalsContact O-CB 3.28Å; E980-F984 WeakPolarHBondContact O-CB 3.32Å; E980-F984 PolarHBondContact O-N 3.36Å
981L93.9Very high89.7Confident121 Ų12155.6 Ų55.663%0.63428%0.276SS*.Hα-helixtrans-64.9-42.7172.8-72.4170.1000111.5L977 L978 D979 F984 A985L977-L981 VanDerWaalsContact O-CG 3.31Å; L977-L981 WeakPolarHBondContact O-CG 3.13Å; L977-L981 PolarHBondContact O-N 3.44Å; L977-L981 VanDerWaalsContact O-N 3.07Å; L978-L981 PolarHBondContact O-N 3.27Å; D979-L981 VanDerWaalsContact C-N 3.3Å; D979-L981 PolarHBondContact O-N 3.31Å; L981-F984 PolarHBondContact O-N 3.08Å; L981-A985 PolarHBondContact O-N 3.29Å
982L92.5Very high87.2Confident22 Ų2260.3 Ų60.312%0.11530%0.301CS..Hα-helixtrans-65.8-41.1177.8-66.2171.9000111.8W830 F833 R834 A837 L978 D979 A985 A986W830-L982 HydrophobicContact CH2-CD2 4.15Å; W830-L982 HydrophobicContact CZ2-CB 4.48Å; W830-L982 HydrophobicContact CZ2-CD2 4.05Å; F833-L982 HydrophobicContact CE1-CD2 4.37Å; R834-L982 HydrophobicContact CB-CD1 4.43Å; R834-L982 HydrophobicContact CG-CB 4.18Å; R834-L982 HydrophobicContact CG-CD1 3.86Å; A837-L982 HydrophobicContact CB-CD1 4.33Å; L978-L982 HydrophobicContact CD1-CD1 4.37Å; L978-L982 HydrophobicContact CG-CD1 4.27Å; L978-L982 WeakPolarHBondContact O-CG 3.29Å; L978-L982 PolarHBondContact O-N 3.26Å; L978-L982 VanDerWaalsContact O-N 3.12Å; D979-L982 PolarHBondContact O-N 3.32Å; D979-L982 VanDerWaalsContact O-N 3.12Å; L982-A985 PolarHBondContact O-N 3.35Å; L982-A986 PolarHBondContact O-N 3.03Å
983K89.5Confident84.4Confident1 Ų163.1 Ų63.10%0.00433%0.33CS..Hα-helixtrans-63.7-41.3172.2-72.1179.2170-178.80111.9R834 N912 S915 Q918 D979 A985 A986 R987R834-K983 VanDerWaalsContact NH2-CG 3.32Å; N912-K983 WeakPolarHBondContact O-CE 3.48Å; N912-K983 PolarHBondContact O-NZ 2.86Å; S915-K983 VanDerWaalsContact O-CE 3.27Å; S915-K983 WeakPolarHBondContact O-CE 3.35Å; S915-K983 PolarHBondContact O-NZ 3.37Å; Q918-K983 WeakPolarHBondContact O-CD 3.34Å; Q918-K983 PolarHBondContact O-NZ 3.22Å; D979-K983 WeakPolarHBondContact O-CG 3.28Å; D979-K983 PolarHBondContact O-N 3.45Å; D979-K983 WeakPolarHBondContact OD2-CE 3.21Å; D979-K983 IonicContact OD2-NZ 3.82Å; K983-A985 VanDerWaalsContact C-N 3.32Å; K983-A985 PolarHBondContact O-N 3.03Å; K983-A986 WeakPolarHBondContact O-CB 3.5Å; K983-A986 PolarHBondContact O-N 3.31Å; K983-R987 WeakPolarHBondContact O-CG 3.32Å; K983-R987 PolarHBondContact O-N 3.49Å; K983-R987 VanDerWaalsContact O-N 3.08Å
984F89.6Confident81.9Confident104 Ų10468.3 Ų68.346%0.45635%0.349SS..Hα-helixtrans-62.2-40.8176.1-178.6-90.1000111.8E980 L981 N988 Y989E980-F984 VanDerWaalsContact O-CB 3.28Å; E980-F984 WeakPolarHBondContact O-CB 3.32Å; E980-F984 PolarHBondContact O-N 3.36Å; L981-F984 PolarHBondContact O-N 3.08Å; F984-N988 VanDerWaalsContact CD2-ND2 3.33Å; F984-N988 WeakPolarHBondContact CD2-ND2 3.43Å; F984-N988 VanDerWaalsContact CE1-ND2 3.3Å; F984-N988 WeakPolarHBondContact CE1-ND2 3.3Å; F984-N988 WeakPolarHBondContact CE2-ND2 3.39Å; F984-N988 WeakPolarHBondContact CZ-ND2 3.44Å; F984-N988 PolarHBondContact O-N 3.15Å; F984-N988 PolarHBondContact O-ND2 3.2Å; F984-N988 VanDerWaalsContact O-ND2 3.16Å; F984-Y989 HydrophobicContact CE1-CE2 4.46Å
985A90.1Very high78.8Confident27 Ų2770.3 Ų70.322%0.22337%0.369CS..Hα-helixtrans-63.7-42.9174.900000112.1W830 L981 L982 K983 Y989W830-A985 HydrophobicContact CH2-CB 4.25Å; W830-A985 HydrophobicContact CZ2-CB 3.96Å; L981-A985 PolarHBondContact O-N 3.29Å; L982-A985 PolarHBondContact O-N 3.35Å; K983-A985 VanDerWaalsContact C-N 3.32Å; K983-A985 PolarHBondContact O-N 3.03Å; A985-Y989 PolarHBondContact O-N 3.14Å
986A86.4Confident75.6Confident3 Ų382.6 Ų82.63%0.02542%0.423CS..Iπ-helixtrans-55.8-52.417600000112.2L982 K983 N988 L990 E991L982-A986 PolarHBondContact O-N 3.03Å; K983-A986 WeakPolarHBondContact O-CB 3.5Å; K983-A986 PolarHBondContact O-N 3.31Å; A986-N988 PolarHBondContact O-N 3.16Å; A986-L990 WeakPolarHBondContact O-CB 3.49Å; A986-L990 PolarHBondContact O-N 3.29Å; A986-E991 PolarHBondContact O-N 3.17Å
987R83.9Confident74.7Confident44 Ų4484.8 Ų84.817%0.16643%0.434CS..Iπ-helixtrans-64.1-41.7-177.1-67.6-174.7-60.2-98.92.4113.3N917 K983N917-R987 HydrophobicContact CB-CG 4.33Å; N917-R987 WeakPolarHBondContact O-CD 3.4Å; N917-R987 PolarHBondContact O-NH1 3.22Å; K983-R987 WeakPolarHBondContact O-CG 3.32Å; K983-R987 PolarHBondContact O-N 3.49Å; K983-R987 VanDerWaalsContact O-N 3.08Å
988N84.8Confident73.6Confident66 Ų6682.8 Ų82.835%0.35342%0.423SS..Iπ-helixtrans-95.2-25.3-168.6-66.9-43.3000114.6F984 A986 L992F984-N988 VanDerWaalsContact CD2-ND2 3.33Å; F984-N988 WeakPolarHBondContact CD2-ND2 3.43Å; F984-N988 VanDerWaalsContact CE1-ND2 3.3Å; F984-N988 WeakPolarHBondContact CE1-ND2 3.3Å; F984-N988 WeakPolarHBondContact CE2-ND2 3.39Å; F984-N988 WeakPolarHBondContact CZ-ND2 3.44Å; F984-N988 PolarHBondContact O-N 3.15Å; F984-N988 PolarHBondContact O-ND2 3.2Å; F984-N988 VanDerWaalsContact O-ND2 3.16Å; A986-N988 PolarHBondContact O-N 3.16Å; N988-L992 WeakPolarHBondContact O-CD1 3.32Å
989Y84Confident72.4Confident180 Ų18084.5 Ų84.571%0.70643%0.431SS*.Iπ-helixtrans-121.3-16.6-171.7-60.5-78.5000113.9F984 A985F984-Y989 HydrophobicContact CE1-CE2 4.46Å; A985-Y989 PolarHBondContact O-N 3.14Å
990L76.4Confident71.2Confident81 Ų8189.5 Ų89.542%0.42446%0.457SS..Iπ-helixtrans-107.9-37.8-176.9-74.9150.6000113.2W830 A986 G993W830-L990 HydrophobicContact CB-CD1 4.24Å; W830-L990 HydrophobicContact CD2-CD1 3.31Å; W830-L990 HydrophobicContact CE3-CD1 3.69Å; W830-L990 HydrophobicContact CG-CD1 3.55Å; W830-L990 HydrophobicContact CH2-CD1 4.39Å; W830-L990 HydrophobicContact CZ2-CD1 4.09Å; W830-L990 HydrophobicContact CZ3-CD1 4.21Å; A986-L990 WeakPolarHBondContact O-CB 3.49Å; A986-L990 PolarHBondContact O-N 3.29Å; L990-G993 PolarHBondContact O-N 3.34Å
991E60.1Low69.8Low106 Ų10693.1 Ų93.150%0.49548%0.476SS..G310 helixtrans-71.1-30.4179.4-73.8-172.9172.700113.6N917 A986 G993 K994N917-E991 PolarHBondContact ND2-OE1 3.4Å; A986-E991 PolarHBondContact O-N 3.17Å; E991-G993 PolarHBondContact O-N 3.27Å; E991-G993 VanDerWaalsContact O-N 3.15Å; E991-K994 PolarHBondContact O-N 3.04Å
992L43Very low68.2Low131 Ų13191.2 Ų91.269%0.68647%0.465SS*.G310 helixtrans-63.4-18.2175.7-92150.1000113.9N988N988-L992 WeakPolarHBondContact O-CD1 3.32Å
993G37.9Very low66.4Low59 Ų5996.1 Ų96.161%0.60849%0.49SS*.G310 helixtrans-81.4-18.1177.100000114.8L990 E991L990-G993 PolarHBondContact O-N 3.34Å; E991-G993 PolarHBondContact O-N 3.27Å; E991-G993 VanDerWaalsContact O-N 3.15Å
994K42.7Very low64.6Low196 Ų196103.5 Ų103.585%0.85253%0.528SS*.SBendtrans-94.3-8179.4-76.6-176.3175.7-179.80113.9E991E991-K994 PolarHBondContact O-N 3.04Å
995A32.4Very low62.6Low90 Ų90103.4 Ų103.474%0.74453%0.534SS*.  trans-95.517.8178.100000113.7
996K29Very low60.1Low258 Ų258110.4 Ų110.4100%1.12256%0.562SS**  trans-118.30173.2-98-170.8177.3-179.70111.9

Retrieved 996 of 996 residues in 800.8 ms (Link to these results)

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