A0A087YJV3_POEFO Loading...

creatine kinase

AlphaFold DB , UniProt , Accession A0A087YJV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 381 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
1M44.7Very low72Confident186 Ų18682.5 Ų82.592%0.91644%0.435SS*.  0120.40-82.6-148.2-86.800108.8F3M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 HydrophobicContact CB-CD2 4.37Å; M1-F3 HydrophobicContact CB-CE2 4.43Å; M1-F3 PolarHBondContact O-N 2.88Å; M1-F3 VanDerWaalsContact O-N 3.15Å; M1-F3 HydrophobicContact SD-CE2 4.23Å
2P53.4Low73.6Confident14 Ų1483.7 Ų83.79%0.09144%0.44CS..  trans-74-1.5-162.420.1-24.9000117.1G4 T6 G206P2-G4 VanDerWaalsContact C-N 3.32Å; P2-G4 PolarHBondContact O-N 2.78Å; P2-T6 PolarHBondContact O-OG1 3.34Å; P2-G206 VanDerWaalsContact CG-CA 3.42Å
3F64.6Low75.4Confident104 Ų10486.9 Ų86.946%0.45646%0.458SS..THydrogen-bonded Turntrans-85.545.7-156.1-46.2-51.3000117.8M1 R209M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 HydrophobicContact CB-CD2 4.37Å; M1-F3 HydrophobicContact CB-CE2 4.43Å; M1-F3 PolarHBondContact O-N 2.88Å; M1-F3 VanDerWaalsContact O-N 3.15Å; M1-F3 HydrophobicContact SD-CE2 4.23Å; F3-R209 HydrophobicContact CD1-CG 3.85Å; F3-R209 HydrophobicContact CD2-CG 4.2Å; F3-R209 HydrophobicContact CE1-CG 3.2Å; F3-R209 HydrophobicContact CE2-CG 3.6Å; F3-R209 HydrophobicContact CG-CG 4.29Å; F3-R209 HydrophobicContact CZ-CB 4.42Å; F3-R209 VanDerWaalsContact CZ-CD 3.47Å; F3-R209 HydrophobicContact CZ-CG 3.03Å
4G59.5Low76.9Confident63 Ų6389.6 Ų89.665%0.64946%0.461SS*.THydrogen-bonded Turntrans-174.4-16.3169.200000113.7P2P2-G4 VanDerWaalsContact C-N 3.32Å; P2-G4 PolarHBondContact O-N 2.78Å
5N67.8Low78.3Confident61 Ų6193 Ų9333%0.32647%0.471SS..THydrogen-bonded Turntrans-86.1-16.2-175.7-153.725.3000113.7H7 N8 K11N5-H7 VanDerWaalsContact C-N 3.28Å; N5-H7 PolarHBondContact O-N 2.87Å; N5-N8 WeakPolarHBondContact O-CB 3.38Å; N5-N8 PolarHBondContact O-N 3.2Å; N5-N8 WeakPolarHBondContact OD1-CB 2.92Å; N5-N8 PolarHBondContact OD1-ND2 2.92Å; N5-K11 WeakPolarHBondContact ND2-CE 3.44Å; N5-K11 PolarHBondContact ND2-NZ 3.44Å; N5-K11 WeakPolarHBondContact O-CE 3.38Å; N5-K11 PolarHBondContact O-NZ 3.32Å; N5-K11 WeakPolarHBondContact OD1-CE 2.89Å
6T70.8Confident79.5Confident21 Ų2189.6 Ų89.613%0.12946%0.456CS..THydrogen-bonded Turntrans-56.4-38.6179.6-51.70000112.5P2 G50 T52 D55P2-T6 PolarHBondContact O-OG1 3.34Å; T6-G50 WeakPolarHBondContact CG2-O 3.46Å; T6-T52 WeakPolarHBondContact O-CG2 3.5Å; T6-D55 VanDerWaalsContact CB-OD1 3.32Å; T6-D55 WeakPolarHBondContact CB-OD1 3.11Å; T6-D55 WeakPolarHBondContact CG2-OD1 3.28Å; T6-D55 WeakPolarHBondContact CG2-OD2 3.38Å; T6-D55 PolarHBondContact OG1-OD1 3.25Å
7H75.4Confident80.5Confident119 Ų11990.9 Ų90.955%0.55146%0.46SS*.THydrogen-bonded Turntrans-110.321-178.7-54.1-52.9000113.1N5 N9N5-H7 VanDerWaalsContact C-N 3.28Å; N5-H7 PolarHBondContact O-N 2.87Å; H7-N9 PolarHBondContact O-N 3.24Å
8N84.4Confident81.5Confident62 Ų6292.4 Ų92.433%0.33247%0.465SS..  trans-80.784-179.2-176.412.3000111N5 F10 K11N5-N8 WeakPolarHBondContact O-CB 3.38Å; N5-N8 PolarHBondContact O-N 3.2Å; N5-N8 WeakPolarHBondContact OD1-CB 2.92Å; N5-N8 PolarHBondContact OD1-ND2 2.92Å; N8-F10 PolarHBondContact O-N 2.98Å; N8-F10 VanDerWaalsContact OD1-CB 3.31Å; N8-F10 WeakPolarHBondContact OD1-CB 3.42Å; N8-F10 PolarHBondContact OD1-N 3.29Å; N8-K11 HydrophobicContact CB-CG 4.46Å; N8-K11 VanDerWaalsContact O-CG 3.31Å; N8-K11 WeakPolarHBondContact O-CG 3.48Å; N8-K11 PolarHBondContact O-N 2.93Å
9N86.2Confident82.3Confident118 Ų11890.6 Ų90.663%0.63145%0.454SS*.G310 helixtrans-61.5-14178-69.4-18.4000113.5H7 K11 L12H7-N9 PolarHBondContact O-N 3.24Å; N9-K11 PolarHBondContact O-N 2.73Å; N9-L12 PolarHBondContact O-N 2.93Å
10F92Very high83.1Confident145 Ų14588.3 Ų88.364%0.63644%0.442SS*.G310 helixtrans-66.4-19.5176.6-67.3-3.4000113.1N8 L12 N13 Y14N8-F10 PolarHBondContact O-N 2.98Å; N8-F10 VanDerWaalsContact OD1-CB 3.31Å; N8-F10 WeakPolarHBondContact OD1-CB 3.42Å; N8-F10 PolarHBondContact OD1-N 3.29Å; F10-L12 PolarHBondContact O-N 3.37Å; F10-N13 VanDerWaalsContact O-CB 3.24Å; F10-N13 WeakPolarHBondContact O-CB 3.33Å; F10-N13 PolarHBondContact O-N 2.91Å; F10-Y14 VanDerWaalsContact O-CD2 3.32Å; F10-Y14 WeakPolarHBondContact O-CD2 3.37Å
11K92.8Very high83.8Confident15 Ų1585 Ų857%0.06543%0.426CS..G310 helixtrans-54.8-33.7172.5-66.7174.3178.8-177.70112.7N5 N8 N9 N13 Y14 R43 D54N5-K11 WeakPolarHBondContact ND2-CE 3.44Å; N5-K11 PolarHBondContact ND2-NZ 3.44Å; N5-K11 WeakPolarHBondContact O-CE 3.38Å; N5-K11 PolarHBondContact O-NZ 3.32Å; N5-K11 WeakPolarHBondContact OD1-CE 2.89Å; N8-K11 HydrophobicContact CB-CG 4.46Å; N8-K11 VanDerWaalsContact O-CG 3.31Å; N8-K11 WeakPolarHBondContact O-CG 3.48Å; N8-K11 PolarHBondContact O-N 2.93Å; N9-K11 PolarHBondContact O-N 2.73Å; K11-N13 PolarHBondContact O-N 2.95Å; K11-Y14 PolarHBondContact O-N 3.41Å; K11-Y14 VanDerWaalsContact O-N 3.11Å; K11-R43 PolarHBondContact O-NH2 3.46Å; K11-D54 WeakPolarHBondContact CD-OD2 3.42Å; K11-D54 WeakPolarHBondContact CE-OD2 3.27Å; K11-D54 IonicContact NZ-OD2 3.95Å; K11-D54 PolarHBondContact NZ-OD2 3.48Å
12L91.9Very high86.4Confident96 Ų9681.8 Ų81.850%0.50341%0.413SS..G310 helixtrans-72.7-12.1179.9-61.4179.6000113N9 F10 D44N9-L12 PolarHBondContact O-N 2.93Å; F10-L12 PolarHBondContact O-N 3.37Å; L12-D44 HydrophobicContact CD2-CB 4.21Å
13N96.4Very high88.5Confident126 Ų12682.4 Ų82.467%0.67442%0.415SS*.G310 helixtrans-76.8-13.9171.1-59.3-28.4000112.4F10 K11F10-N13 VanDerWaalsContact O-CB 3.24Å; F10-N13 WeakPolarHBondContact O-CB 3.33Å; F10-N13 PolarHBondContact O-N 2.91Å; K11-N13 PolarHBondContact O-N 2.95Å
14Y97.1Very high90Very high125 Ų12581.8 Ų81.849%0.4942%0.424SS..SBendtrans-104.4148.6179.8-62-85.5000111F10 K11 E18 R43F10-Y14 VanDerWaalsContact O-CD2 3.32Å; F10-Y14 WeakPolarHBondContact O-CD2 3.37Å; K11-Y14 PolarHBondContact O-N 3.41Å; K11-Y14 VanDerWaalsContact O-N 3.11Å; Y14-E18 WeakPolarHBondContact CA-OE2 3.34Å; Y14-R43 PolarHBondContact O-NH1 3.24Å
15K97.8Very high91.7Very high140 Ų14087.5 Ų87.561%0.60943%0.431SS*.  trans-65.4162.1179.2-62.1177.2-178.2171.40111.2E17 E18 E19 R43K15-E17 WeakPolarHBondContact CB-OE2 3.42Å; K15-E17 PolarHBondContact O-N 3.22Å; K15-E18 HydrophobicContact CB-CG 4.18Å; K15-E18 WeakPolarHBondContact CB-OE2 3.35Å; K15-E18 PolarHBondContact N-OE2 3.28Å; K15-E18 PolarHBondContact O-N 3.43Å; K15-E18 VanDerWaalsContact O-N 3.13Å; K15-E19 PolarHBondContact O-N 3.2Å; K15-R43 PolarHBondContact O-NH1 3.23Å
16V97.3Very high93.1Very high38 Ų3886.8 Ų86.823%0.2343%0.425CS..Hα-helixtrans-54.8-43.3177.5174.50000110.6E18 E19 F20 K36 Y39V16-E18 VanDerWaalsContact C-N 3.28Å; V16-E18 PolarHBondContact O-N 3Å; V16-E19 PolarHBondContact O-N 3.14Å; V16-F20 VanDerWaalsContact O-CB 3.27Å; V16-F20 WeakPolarHBondContact O-CB 3.5Å; V16-F20 PolarHBondContact O-N 3.08Å; V16-K36 HydrophobicContact CG1-CB 4.49Å; V16-Y39 HydrophobicContact CG1-CD1 4.12Å
17E97.4Very high94.3Very high113 Ų11390.1 Ų90.153%0.52844%0.443SS..Hα-helixtrans-70.9-22.4-177.1-55.875.1-163.300113.9K15 K36K15-E17 WeakPolarHBondContact CB-OE2 3.42Å; K15-E17 PolarHBondContact O-N 3.22Å; E17-K36 HydrophobicContact CG-CD 4.42Å
18E97.6Very high95.3Very high118 Ų11884.5 Ų84.555%0.55142%0.416SS*.Hα-helixtrans-81.6-28.3-178.5-67173.8144.100111.6Y14 K15 V16Y14-E18 WeakPolarHBondContact CA-OE2 3.34Å; K15-E18 HydrophobicContact CB-CG 4.18Å; K15-E18 WeakPolarHBondContact CB-OE2 3.35Å; K15-E18 PolarHBondContact N-OE2 3.28Å; K15-E18 PolarHBondContact O-N 3.43Å; K15-E18 VanDerWaalsContact O-N 3.13Å; V16-E18 VanDerWaalsContact C-N 3.28Å; V16-E18 PolarHBondContact O-N 3Å
19E97.5Very high96Very high57 Ų5782.1 Ų82.127%0.26640%0.403SS..Hα-helixtrans-105.5-13.2-179.5-68.9-83.5-171.500112.7K15 V16 Y39 R43K15-E19 PolarHBondContact O-N 3.2Å; V16-E19 PolarHBondContact O-N 3.14Å; E19-Y39 HydrophobicContact CB-CE1 4.17Å; E19-R43 VanDerWaalsContact CG-NH2 3.32Å
20F98.3Very high96.6Very high45 Ų4576.5 Ų76.520%0.19737%0.373CS..SBendtrans-61.4129.1175.9-171.5-94.9000110.8V16 L34 T35 K36 Y39V16-F20 VanDerWaalsContact O-CB 3.27Å; V16-F20 WeakPolarHBondContact O-CB 3.5Å; V16-F20 PolarHBondContact O-N 3.08Å; F20-L34 HydrophobicContact CE2-CD2 4.1Å; F20-L34 HydrophobicContact CE2-CG 3.97Å; F20-L34 HydrophobicContact CZ-CD2 4.4Å; F20-L34 HydrophobicContact CZ-CG 4.3Å; F20-T35 WeakPolarHBondContact CE2-O 3.41Å; F20-K36 HydrophobicContact CB-CG 4.45Å; F20-K36 HydrophobicContact CD1-CG 4.02Å; F20-K36 HydrophobicContact CD2-CB 4.37Å; F20-K36 HydrophobicContact CD2-CG 3.78Å; F20-K36 HydrophobicContact CE1-CG 4.2Å; F20-K36 HydrophobicContact CE2-CB 4.44Å; F20-K36 HydrophobicContact CE2-CG 3.99Å; F20-K36 HydrophobicContact CG-CG 3.8Å; F20-K36 HydrophobicContact CZ-CG 4.19Å; F20-Y39 HydrophobicContact CB-CD1 4.39Å; F20-Y39 AromaticContact CD2-CD1 3.97Å; F20-Y39 HydrophobicContact CD2-CD1 3.97Å; F20-Y39 HydrophobicContact CD2-CD2 4.37Å; F20-Y39 AromaticContact CD2-CG 3.72Å; F20-Y39 HydrophobicContact CD2-CG 3.72Å; F20-Y39 HydrophobicContact CE2-CG 4.29Å
21P98Very high96.9Very high18 Ų1870.6 Ų70.612%0.11735%0.351CS..  trans-68.7144.9-175.528-35.8000112.5L23 L34 I57 V61P21-L23 HydrophobicContact CB-CD2 4.07Å; P21-L23 HydrophobicContact CB-CG 4.11Å; P21-L23 HydrophobicContact CG-CD1 3.97Å; P21-L23 HydrophobicContact CG-CD2 4.26Å; P21-L23 HydrophobicContact CG-CG 4Å; P21-L23 PolarHBondContact O-N 3.47Å; P21-L34 HydrophobicContact CG-CD2 3.82Å; P21-I57 HydrophobicContact CG-CD1 4.18Å; P21-V61 HydrophobicContact CB-CG1 4.14Å; P21-V61 HydrophobicContact CB-CG2 3.78Å; P21-V61 HydrophobicContact CG-CG2 4.14Å
22D98.1Very high97.1Very high119 Ų11975.3 Ų75.364%0.63637%0.372SS*.  trans-76108.5166.3-179.45.3000109.7S24 H26D22-S24 WeakPolarHBondContact OD1-CB 3.26Å; D22-S24 PolarHBondContact OD1-N 3.35Å; D22-S24 PolarHBondContact OD1-OG 3.07Å; D22-H26 PolarHBondContact O-CE1 3.38Å; D22-H26 VanDerWaalsContact O-CE1 3.29Å
23L97.8Very high97.4Very high27 Ų2771.9 Ų71.914%0.14136%0.355CS..  trans-111.816.4-179.2-58.4178.6000112.6P21 K25 H26 M30 A31 L34 V61P21-L23 HydrophobicContact CB-CD2 4.07Å; P21-L23 HydrophobicContact CB-CG 4.11Å; P21-L23 HydrophobicContact CG-CD1 3.97Å; P21-L23 HydrophobicContact CG-CD2 4.26Å; P21-L23 HydrophobicContact CG-CG 4Å; P21-L23 PolarHBondContact O-N 3.47Å; L23-K25 PolarHBondContact O-N 3.04Å; L23-H26 WeakPolarHBondContact CA-ND1 3.38Å; L23-H26 HydrophobicContact CB-CB 4.25Å; L23-H26 HydrophobicContact CD2-CB 4.44Å; L23-H26 WeakPolarHBondContact O-CB 3.44Å; L23-H26 PolarHBondContact O-N 3.24Å; L23-H26 VanDerWaalsContact O-N 3.09Å; L23-M30 HydrophobicContact CD1-CE 4.42Å; L23-M30 HydrophobicContact CD1-SD 4.17Å; L23-M30 HydrophobicContact CD2-CE 4.31Å; L23-A31 HydrophobicContact CB-CB 4.25Å; L23-A31 HydrophobicContact CD1-CB 4.07Å; L23-L34 HydrophobicContact CD1-CB 4.4Å; L23-L34 HydrophobicContact CD1-CD2 4.01Å; L23-V61 HydrophobicContact CD2-CG2 4.26Å
24S96.3Very high97.5Very high91 Ų9166.4 Ų66.464%0.63633%0.326SS*.THydrogen-bonded Turntrans-61.5-20-170.857.80000115.1D22D22-S24 WeakPolarHBondContact OD1-CB 3.26Å; D22-S24 PolarHBondContact OD1-N 3.35Å; D22-S24 PolarHBondContact OD1-OG 3.07Å
25K95.1Very high97.6Very high184 Ų18463.4 Ų63.480%0.832%0.32SS*.THydrogen-bonded Turntrans-118.516.5180-63-178.4-177.8174.40112.7L23L23-K25 PolarHBondContact O-N 3.04Å
26H97.4Very high97.6Very high45 Ų4562 Ų6221%0.20831%0.314CS..  trans-96.9141.9-172.5-67.155.3000111.8D22 L23 A31 G60 V61 P64D22-H26 PolarHBondContact O-CE1 3.38Å; D22-H26 VanDerWaalsContact O-CE1 3.29Å; L23-H26 WeakPolarHBondContact CA-ND1 3.38Å; L23-H26 HydrophobicContact CB-CB 4.25Å; L23-H26 HydrophobicContact CD2-CB 4.44Å; L23-H26 WeakPolarHBondContact O-CB 3.44Å; L23-H26 PolarHBondContact O-N 3.24Å; L23-H26 VanDerWaalsContact O-N 3.09Å; H26-A31 HydrophobicContact CB-CB 3.62Å; H26-G60 PolarHBondContact CD2-O 3.46Å; H26-V61 PolarHBondContact NE2-O 2.88Å; H26-P64 CarbonylContact C-O 3.57Å; H26-P64 WeakPolarHBondContact CA-O 3.35Å; H26-P64 HydrophobicContact CB-CB 4.47Å; H26-P64 VanDerWaalsContact CD2-CA 3.48Å; H26-P64 WeakPolarHBondContact CD2-CA 3.35Å
27N95.9Very high97.7Very high92 Ų9268 Ų6849%0.49234%0.34SS..  trans-13873.2179.2-174.231.2000109.2P64 M70N27-P64 PolarHBondContact N-O 2.69Å; N27-M70 VanDerWaalsContact OD1-CE 3.28Å; N27-M70 WeakPolarHBondContact OD1-CE 3.25Å
28N97.1Very high97.8Very high0 Ų064.1 Ų64.10%032%0.322CS..BIsolated β-bridgetrans-141162.1171.161.759.4000108.8M30 A31 K32 G60 N63 T71N28-M30 VanDerWaalsContact C-N 3.32Å; N28-M30 PolarHBondContact O-N 3.14Å; N28-M30 PolarHBondContact OD1-N 3.47Å; N28-A31 PolarHBondContact O-N 3.06Å; N28-A31 WeakPolarHBondContact OD1-CB 3.41Å; N28-A31 PolarHBondContact OD1-N 3.48Å; N28-K32 PolarHBondContact O-N 3.27Å; N28-G60 PolarHBondContact ND2-O 3.34Å; N28-N63 PolarHBondContact ND2-O 3.19Å; N28-N63 VanDerWaalsContact ND2-O 3.12Å; N28-T71 WeakPolarHBondContact CA-O 3.41Å; N28-T71 WeakPolarHBondContact CB-O 3.4Å; N28-T71 WeakPolarHBondContact CB-OG1 3.16Å
29H97.8Very high97.8Very high13 Ų1358.5 Ų58.56%0.0630%0.296CS..Hα-helixtrans-60.5-39.5-174.9-69.3-82000112.8A31 K32 V33 M70 T71 V72 I92 D95 R96H29-A31 PolarHBondContact O-N 3.01Å; H29-K32 PolarHBondContact O-N 3Å; H29-V33 WeakPolarHBondContact O-CG2 3.43Å; H29-V33 PolarHBondContact O-N 3Å; H29-M70 WeakPolarHBondContact NE2-CG 3.41Å; H29-T71 PolarHBondContact CD2-O 2.81Å; H29-T71 VanDerWaalsContact CD2-O 3.24Å; H29-T71 PolarHBondContact N-O 2.9Å; H29-V72 PolarHBondContact N-O 3.41Å; H29-I92 HydrophobicContact CB-CG2 3.96Å; H29-D95 IonicContact CE1-OD2 2.7Å; H29-D95 PolarHBondContact CE1-OD2 2.94Å; H29-D95 VanDerWaalsContact CE1-OD2 3.29Å; H29-D95 IonicContact CG-OD2 3.71Å; H29-D95 IonicContact ND1-OD2 2.68Å; H29-D95 PolarHBondContact ND1-OD2 3.28Å; H29-R96 WeakPolarHBondContact NE2-CD 3.3Å
30M98.6Very high97.8Very high0 Ų057.2 Ų57.20%030%0.298CS..Hα-helixtrans-58.3-47.7176.7-179.4-77.2-67.200111.7L23 N28 K32 V33 L34 I57 V61 V72 G73 C74 I92L23-M30 HydrophobicContact CD1-CE 4.42Å; L23-M30 HydrophobicContact CD1-SD 4.17Å; L23-M30 HydrophobicContact CD2-CE 4.31Å; N28-M30 VanDerWaalsContact C-N 3.32Å; N28-M30 PolarHBondContact O-N 3.14Å; N28-M30 PolarHBondContact OD1-N 3.47Å; M30-K32 VanDerWaalsContact C-N 3.25Å; M30-K32 PolarHBondContact O-N 3.4Å; M30-V33 PolarHBondContact O-N 2.91Å; M30-L34 WeakPolarHBondContact O-CB 3.4Å; M30-L34 PolarHBondContact O-N 3.48Å; M30-L34 HydrophobicContact SD-CB 3.93Å; M30-L34 HydrophobicContact SD-CD2 3.89Å; M30-L34 HydrophobicContact SD-CG 4.5Å; M30-I57 HydrophobicContact CE-CB 3.99Å; M30-I57 HydrophobicContact CG-CB 4.07Å; M30-I57 HydrophobicContact CG-CG2 3.75Å; M30-I57 HydrophobicContact SD-CB 3.91Å; M30-I57 HydrophobicContact SD-CG2 3.93Å; M30-V61 HydrophobicContact CE-CG2 4.15Å; M30-V72 WeakPolarHBondContact CB-O 3.18Å; M30-V72 PolarHBondContact N-O 3.46Å; M30-G73 WeakPolarHBondContact CB-O 3.36Å; M30-C74 HydrophobicContact CB-CB 4.18Å; M30-C74 HydrophobicContact CG-CB 4.13Å; M30-I92 HydrophobicContact CB-CD1 4Å; M30-I92 HydrophobicContact CG-CD1 4.33Å
31A98.3Very high97.8Very high21 Ų2161.1 Ų61.117%0.17432%0.315CS..Hα-helixtrans-66.7-24.5-17900000114L23 H26 N28 H29 V33L23-A31 HydrophobicContact CB-CB 4.25Å; L23-A31 HydrophobicContact CD1-CB 4.07Å; H26-A31 HydrophobicContact CB-CB 3.62Å; N28-A31 PolarHBondContact O-N 3.06Å; N28-A31 WeakPolarHBondContact OD1-CB 3.41Å; N28-A31 PolarHBondContact OD1-N 3.48Å; H29-A31 PolarHBondContact O-N 3.01Å; A31-V33 VanDerWaalsContact C-N 3.33Å
32K97.8Very high97.9Very high113 Ų11360.5 Ų60.549%0.49131%0.311SS..Hα-helixtrans-73.8-25.8173.3-65.9176.7-174.1177.40113.1N28 H29 M30 D95N28-K32 PolarHBondContact O-N 3.27Å; H29-K32 PolarHBondContact O-N 3Å; M30-K32 VanDerWaalsContact C-N 3.25Å; M30-K32 PolarHBondContact O-N 3.4Å; K32-D95 IonicContact NZ-OD2 3.99Å
33V98.4Very high97.8Very high24 Ų2456.5 Ų56.515%0.14529%0.287CS..Hα-helixtrans-101.7-39.4-172.9176.10000111.8H29 M30 A31 T35 I38 L88 P91 I92H29-V33 WeakPolarHBondContact O-CG2 3.43Å; H29-V33 PolarHBondContact O-N 3Å; M30-V33 PolarHBondContact O-N 2.91Å; A31-V33 VanDerWaalsContact C-N 3.33Å; V33-T35 PolarHBondContact O-N 3.43Å; V33-I38 HydrophobicContact CG1-CD1 4.34Å; V33-I38 WeakPolarHBondContact O-CD1 3.37Å; V33-L88 HydrophobicContact CB-CD1 4.24Å; V33-L88 HydrophobicContact CG1-CD1 3.83Å; V33-P91 HydrophobicContact CG1-CB 3.7Å; V33-P91 HydrophobicContact CG1-CG 4.04Å; V33-P91 HydrophobicContact CG2-CB 4.04Å; V33-I92 HydrophobicContact CB-CG1 3.92Å; V33-I92 HydrophobicContact CG1-CG1 4.27Å; V33-I92 HydrophobicContact CG2-CG1 3.74Å
34L98.7Very high97.7Very high12 Ų1259.7 Ų59.76%0.06330%0.304CS..  trans-64.6121.7-172.9-171.569.4000111.4F20 P21 L23 M30 I38 Y39 I57 L88F20-L34 HydrophobicContact CE2-CD2 4.1Å; F20-L34 HydrophobicContact CE2-CG 3.97Å; F20-L34 HydrophobicContact CZ-CD2 4.4Å; F20-L34 HydrophobicContact CZ-CG 4.3Å; P21-L34 HydrophobicContact CG-CD2 3.82Å; L23-L34 HydrophobicContact CD1-CB 4.4Å; L23-L34 HydrophobicContact CD1-CD2 4.01Å; M30-L34 WeakPolarHBondContact O-CB 3.4Å; M30-L34 PolarHBondContact O-N 3.48Å; M30-L34 HydrophobicContact SD-CB 3.93Å; M30-L34 HydrophobicContact SD-CD2 3.89Å; M30-L34 HydrophobicContact SD-CG 4.5Å; L34-I38 HydrophobicContact CD1-CG2 4.07Å; L34-Y39 HydrophobicContact CD1-CD2 4.42Å; L34-Y39 HydrophobicContact CD2-CD2 4.41Å; L34-I57 HydrophobicContact CD2-CD1 3.81Å; L34-L88 HydrophobicContact CB-CD1 4.15Å; L34-L88 HydrophobicContact CD1-CD1 3.94Å; L34-L88 HydrophobicContact CD1-CD2 4.28Å
35T98.6Very high97.8Very high62 Ų6259.5 Ų59.538%0.3829%0.291SS..  trans-117.6161.6172.970.20000110.4F20 V33 E37 I38 Y39F20-T35 WeakPolarHBondContact CE2-O 3.41Å; V33-T35 PolarHBondContact O-N 3.43Å; T35-E37 PolarHBondContact O-N 2.66Å; T35-E37 PolarHBondContact OG1-N 3.09Å; T35-I38 HydrophobicContact CG2-CD1 4.49Å; T35-I38 PolarHBondContact O-N 3.32Å; T35-I38 WeakPolarHBondContact OG1-CG1 3.48Å; T35-I38 PolarHBondContact OG1-N 3.01Å; T35-I38 VanDerWaalsContact OG1-N 3.12Å; T35-Y39 WeakPolarHBondContact O-CB 3.39Å; T35-Y39 PolarHBondContact O-N 3.18Å
36K98.4Very high97.9Very high111 Ų11156.3 Ų56.348%0.48328%0.279SS..Hα-helixtrans-57.2-31.9173.2-72-176.8176.9-176.10112.5V16 E17 F20 G40V16-K36 HydrophobicContact CG1-CB 4.49Å; E17-K36 HydrophobicContact CG-CD 4.42Å; F20-K36 HydrophobicContact CB-CG 4.45Å; F20-K36 HydrophobicContact CD1-CG 4.02Å; F20-K36 HydrophobicContact CD2-CB 4.37Å; F20-K36 HydrophobicContact CD2-CG 3.78Å; F20-K36 HydrophobicContact CE1-CG 4.2Å; F20-K36 HydrophobicContact CE2-CB 4.44Å; F20-K36 HydrophobicContact CE2-CG 3.99Å; F20-K36 HydrophobicContact CG-CG 3.8Å; F20-K36 HydrophobicContact CZ-CG 4.19Å; K36-G40 PolarHBondContact O-N 2.7Å
37E98.5Very high97.9Very high164 Ų16454.4 Ų54.477%0.76627%0.271SS*.Hα-helixtrans-67.4-50.6175.9-175.5-179.8176.100111.5T35 Y39 G40 K41T35-E37 PolarHBondContact O-N 2.66Å; T35-E37 PolarHBondContact OG1-N 3.09Å; E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 3.32Å; E37-G40 PolarHBondContact O-N 2.79Å; E37-K41 WeakPolarHBondContact O-CB 3.2Å; E37-K41 PolarHBondContact O-N 3.15Å
38I98.6Very high98Very high31 Ų3155.2 Ų55.216%0.15928%0.281CS..Hα-helixtrans-60.2-45.9176.1-69.1171000110.2V33 L34 T35 K41 L42 L88V33-I38 HydrophobicContact CG1-CD1 4.34Å; V33-I38 WeakPolarHBondContact O-CD1 3.37Å; L34-I38 HydrophobicContact CD1-CG2 4.07Å; T35-I38 HydrophobicContact CG2-CD1 4.49Å; T35-I38 PolarHBondContact O-N 3.32Å; T35-I38 WeakPolarHBondContact OG1-CG1 3.48Å; T35-I38 PolarHBondContact OG1-N 3.01Å; T35-I38 VanDerWaalsContact OG1-N 3.12Å; I38-K41 PolarHBondContact O-N 2.78Å; I38-L42 HydrophobicContact CG2-CD1 3.77Å; I38-L42 HydrophobicContact CG2-CG 4.48Å; I38-L42 WeakPolarHBondContact O-CB 3.27Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 3.45Å; I38-L88 HydrophobicContact CG2-CB 4.04Å; I38-L88 HydrophobicContact CG2-CD1 4.37Å
39Y98.7Very high98Very high0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-60.9-48.5178.4-170.7-98.8000111.5V16 E19 F20 L34 T35 E37 K41 L42 R43 L53 D54 I57V16-Y39 HydrophobicContact CG1-CD1 4.12Å; E19-Y39 HydrophobicContact CB-CE1 4.17Å; F20-Y39 HydrophobicContact CB-CD1 4.39Å; F20-Y39 AromaticContact CD2-CD1 3.97Å; F20-Y39 HydrophobicContact CD2-CD1 3.97Å; F20-Y39 HydrophobicContact CD2-CD2 4.37Å; F20-Y39 AromaticContact CD2-CG 3.72Å; F20-Y39 HydrophobicContact CD2-CG 3.72Å; F20-Y39 HydrophobicContact CE2-CG 4.29Å; L34-Y39 HydrophobicContact CD1-CD2 4.42Å; L34-Y39 HydrophobicContact CD2-CD2 4.41Å; T35-Y39 WeakPolarHBondContact O-CB 3.39Å; T35-Y39 PolarHBondContact O-N 3.18Å; E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 3.32Å; Y39-K41 VanDerWaalsContact C-N 3.28Å; Y39-K41 PolarHBondContact O-N 2.92Å; Y39-L42 PolarHBondContact O-N 2.87Å; Y39-R43 HydrophobicContact CD1-CB 4.25Å; Y39-R43 HydrophobicContact CE1-CB 3.97Å; Y39-R43 HydrophobicContact CE1-CG 4.45Å; Y39-R43 HydrophobicContact CE2-CB 4.47Å; Y39-R43 WeakPolarHBondContact O-CB 3.27Å; Y39-R43 VanDerWaalsContact O-CG 3.31Å; Y39-R43 WeakPolarHBondContact O-CG 3.45Å; Y39-R43 PolarHBondContact O-N 3.08Å; Y39-L53 HydrophobicContact CD2-CD2 3.43Å; Y39-L53 VanDerWaalsContact CD2-CD2 3.43Å; Y39-L53 HydrophobicContact CD2-CG 4.41Å; Y39-L53 HydrophobicContact CE2-CD2 3.82Å; Y39-L53 HydrophobicContact CG-CD2 4.17Å; Y39-D54 VanDerWaalsContact CE2-OD1 3.25Å; Y39-D54 WeakPolarHBondContact CE2-OD1 3.43Å; Y39-D54 PolarHBondContact OH-OD1 3.43Å; Y39-I57 HydrophobicContact CD2-CD1 4.41Å; Y39-I57 HydrophobicContact CE2-CD1 4.15Å
40G98.3Very high98Very high30 Ų3056.9 Ų56.931%0.30930%0.296SS..Hα-helixtrans-59.2-36.4176.900000113.5K36 E37K36-G40 PolarHBondContact O-N 2.7Å; E37-G40 PolarHBondContact O-N 2.79Å
41K98.4Very high97.9Very high126 Ų12657.1 Ų57.155%0.54830%0.297SS..Hα-helixtrans-71.3-34.4177.9-174.5-179.4-178.1-174.90113.6E37 I38 Y39 D87E37-K41 WeakPolarHBondContact O-CB 3.2Å; E37-K41 PolarHBondContact O-N 3.15Å; I38-K41 PolarHBondContact O-N 2.78Å; Y39-K41 VanDerWaalsContact C-N 3.28Å; Y39-K41 PolarHBondContact O-N 2.92Å; K41-D87 WeakPolarHBondContact CD-OD2 3.14Å; K41-D87 WeakPolarHBondContact CE-OD2 3.39Å; K41-D87 IonicContact NZ-OD1 2.9Å; K41-D87 IonicContact NZ-OD2 3.17Å; K41-D87 PolarHBondContact NZ-OD2 3.3Å
42L98.4Very high97.9Very high6 Ų657 Ų573%0.03129%0.293CS..Hα-helixtrans-107-18.1-168.9-65.2-178.6000114.3I38 Y39 D44 K45 L53 F85 D87 L88I38-L42 HydrophobicContact CG2-CD1 3.77Å; I38-L42 HydrophobicContact CG2-CG 4.48Å; I38-L42 WeakPolarHBondContact O-CB 3.27Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 3.45Å; Y39-L42 PolarHBondContact O-N 2.87Å; L42-D44 PolarHBondContact O-N 3.49Å; L42-D44 VanDerWaalsContact O-N 3.17Å; L42-K45 VanDerWaalsContact O-CB 3.3Å; L42-K45 WeakPolarHBondContact O-CB 3.37Å; L42-K45 PolarHBondContact O-N 2.98Å; L42-L53 HydrophobicContact CB-CD1 4.16Å; L42-L53 HydrophobicContact CB-CD2 3.74Å; L42-L53 HydrophobicContact CB-CG 4.38Å; L42-L53 HydrophobicContact CD1-CD1 4.15Å; L42-F85 HydrophobicContact CB-CD1 4.45Å; L42-D87 HydrophobicContact CD1-CB 4.29Å; L42-L88 HydrophobicContact CD1-CB 3.99Å
43R96.3Very high97.9Very high35 Ų3551.6 Ų51.613%0.13227%0.27CS..THydrogen-bonded Turntrans-65.3-18.9-172.467.7-177.9-59.8-133.3-6.6115.3K11 Y14 K15 E19 Y39 L53K11-R43 PolarHBondContact O-NH2 3.46Å; Y14-R43 PolarHBondContact O-NH1 3.24Å; K15-R43 PolarHBondContact O-NH1 3.23Å; E19-R43 VanDerWaalsContact CG-NH2 3.32Å; Y39-R43 HydrophobicContact CD1-CB 4.25Å; Y39-R43 HydrophobicContact CE1-CB 3.97Å; Y39-R43 HydrophobicContact CE1-CG 4.45Å; Y39-R43 HydrophobicContact CE2-CB 4.47Å; Y39-R43 WeakPolarHBondContact O-CB 3.27Å; Y39-R43 VanDerWaalsContact O-CG 3.31Å; Y39-R43 WeakPolarHBondContact O-CG 3.45Å; Y39-R43 PolarHBondContact O-N 3.08Å; R43-L53 HydrophobicContact CB-CD2 4.41Å
44D96.3Very high97.9Very high93 Ų9351.5 Ų51.550%0.49727%0.269SS..THydrogen-bonded Turntrans-94.5-017673.9-27000112.7L12 L42L12-D44 HydrophobicContact CD2-CB 4.21Å; L42-D44 PolarHBondContact O-N 3.49Å; L42-D44 VanDerWaalsContact O-N 3.17Å
45K97.6Very high97.9Very high87 Ų8751.4 Ų51.438%0.37827%0.268SS..  trans-91146.5-179.6-55.6-67.3175.9-94.60110.8L42 V84 F85L42-K45 VanDerWaalsContact O-CB 3.3Å; L42-K45 WeakPolarHBondContact O-CB 3.37Å; L42-K45 PolarHBondContact O-N 2.98Å; K45-V84 HydrophobicContact CB-CG1 3.89Å; K45-F85 HydrophobicContact CB-CE1 4.05Å
46Q97.4Very high97.9Very high117 Ų11748.4 Ų48.455%0.54725%0.25SC..BIsolated β-bridgetrans-141.8151169.865.1-177.82.300109.6Y51 T52Q46-Y51 CarbonylContact C-O 3.54Å; Q46-Y51 WeakPolarHBondContact CA-O 3.34Å; Q46-T52 HydrophobicContact CB-CG2 4.27Å
47T98.4Very high97.9Very high5 Ų543.3 Ų43.33%0.03123%0.228CC..  trans-73.4171.2171.868.90000110.4S49 G50 Y51 D78 E80 V84 F85T47-S49 PolarHBondContact O-N 3.23Å; T47-S49 VanDerWaalsContact O-N 3.12Å; T47-S49 PolarHBondContact OG1-OG 2.99Å; T47-S49 VanDerWaalsContact OG1-OG 3.1Å; T47-G50 PolarHBondContact O-N 3.42Å; T47-Y51 PolarHBondContact N-O 3.02Å; T47-Y51 VanDerWaalsContact OG1-CB 3.3Å; T47-Y51 WeakPolarHBondContact OG1-CB 3.36Å; T47-Y51 PolarHBondContact OG1-N 3.45Å; T47-Y51 VanDerWaalsContact OG1-N 3.12Å; T47-D78 WeakPolarHBondContact CB-OD2 3.23Å; T47-D78 VanDerWaalsContact CG2-OD1 3.32Å; T47-D78 WeakPolarHBondContact CG2-OD1 3.49Å; T47-D78 PolarHBondContact OG1-OD2 2.92Å; T47-E80 HydrophobicContact CG2-CB 4.38Å; T47-V84 HydrophobicContact CG2-CB 4.28Å; T47-V84 HydrophobicContact CG2-CG2 4.21Å; T47-F85 HydrophobicContact CG2-CE2 3.73Å; T47-F85 HydrophobicContact CG2-CZ 4.35Å
48P98.1Very high97.9Very high110 Ų11037.5 Ų37.571%0.71420%0.201SC*.THydrogen-bonded Turntrans-57.1-26176.1-26.736.6000114.3G50 E80P48-G50 VanDerWaalsContact C-N 3.31Å; P48-E80 HydrophobicContact CG-CG 4.07Å
49S97Very high97.8Very high41 Ų4136.3 Ų36.329%0.28720%0.195SC..THydrogen-bonded Turntrans-85.5-2.1176.276.50000113.6T47 D78 T141 H145T47-S49 PolarHBondContact O-N 3.23Å; T47-S49 VanDerWaalsContact O-N 3.12Å; T47-S49 PolarHBondContact OG1-OG 2.99Å; T47-S49 VanDerWaalsContact OG1-OG 3.1Å; S49-D78 WeakPolarHBondContact CB-OD2 3.45Å; S49-D78 PolarHBondContact OG-OD2 2.98Å; S49-T141 VanDerWaalsContact CB-CG2 3.49Å; S49-H145 PolarHBondContact O-NE2 2.74Å; S49-H145 PolarHBondContact OG-CD2 3Å; S49-H145 PolarHBondContact OG-NE2 2.95Å
50G96.6Very high97.8Very high7 Ų736.3 Ų36.37%0.07220%0.195CC..  trans8218-177.400000114.6T6 T47 P48T6-G50 WeakPolarHBondContact CG2-O 3.46Å; T47-G50 PolarHBondContact O-N 3.42Å; P48-G50 VanDerWaalsContact C-N 3.31Å
51Y97.7Very high97.7Very high5 Ų536.7 Ų36.72%0.0219%0.191CC..  trans-75.6133.5173.9-154.4-112.4000110.3Q46 T47 D55 V56 V75 G77 F85 P144 H145Q46-Y51 CarbonylContact C-O 3.54Å; Q46-Y51 WeakPolarHBondContact CA-O 3.34Å; T47-Y51 PolarHBondContact N-O 3.02Å; T47-Y51 VanDerWaalsContact OG1-CB 3.3Å; T47-Y51 WeakPolarHBondContact OG1-CB 3.36Å; T47-Y51 PolarHBondContact OG1-N 3.45Å; T47-Y51 VanDerWaalsContact OG1-N 3.12Å; Y51-D55 HydrophobicContact CD1-CB 4.18Å; Y51-D55 HydrophobicContact CD2-CB 3.77Å; Y51-D55 HydrophobicContact CE1-CB 3.81Å; Y51-D55 HydrophobicContact CE2-CB 3.38Å; Y51-D55 HydrophobicContact CG-CB 4.16Å; Y51-D55 VanDerWaalsContact CZ-CB 3.41Å; Y51-D55 PolarHBondContact OH-O 3.04Å; Y51-V56 HydrophobicContact CD1-CG2 3.93Å; Y51-V56 HydrophobicContact CE1-CG2 3.69Å; Y51-V75 WeakPolarHBondContact OH-CG2 3.33Å; Y51-G77 VanDerWaalsContact CE1-CA 3.46Å; Y51-F85 WeakPolarHBondContact O-CZ 3.37Å; Y51-P144 HydrophobicContact CE2-CB 4.23Å; Y51-P144 VanDerWaalsContact OH-CB 3.3Å; Y51-P144 WeakPolarHBondContact OH-CB 3.11Å; Y51-H145 HydrophobicContact CD2-CB 3.59Å; Y51-H145 AromaticContact CD2-CD2 3.84Å; Y51-H145 AromaticContact CD2-CG 3.42Å; Y51-H145 VanDerWaalsContact CD2-CG 3.42Å; Y51-H145 AromaticContact CD2-ND1 3.61Å; Y51-H145 HydrophobicContact CE2-CB 3.7Å; Y51-H145 AromaticContact CE2-CG 3.97Å
52T97.9Very high97.7Very high17 Ų1733.7 Ų33.710%0.10418%0.181CC..BIsolated β-bridgetrans-114.7170.1-170.771.20000112.8T6 Q46 D54 D55 V56 F85T6-T52 WeakPolarHBondContact O-CG2 3.5Å; Q46-T52 HydrophobicContact CB-CG2 4.27Å; T52-D54 VanDerWaalsContact C-N 3.27Å; T52-D54 PolarHBondContact O-N 3.02Å; T52-D54 PolarHBondContact OG1-N 3.4Å; T52-D55 WeakPolarHBondContact CB-OD2 3.37Å; T52-D55 PolarHBondContact N-OD2 2.7Å; T52-D55 PolarHBondContact O-N 3.39Å; T52-D55 PolarHBondContact OG1-N 3.48Å; T52-D55 PolarHBondContact OG1-OD2 2.92Å; T52-V56 WeakPolarHBondContact O-CG2 3.45Å; T52-V56 PolarHBondContact O-N 3.03Å; T52-V56 VanDerWaalsContact O-N 3.09Å; T52-F85 VanDerWaalsContact C-CZ 3.42Å
53L98.1Very high97.6Very high1 Ų134.1 Ų34.11%0.00518%0.184CC..Hα-helixtrans-57.4-39.9173-178.568.2000112.4Y39 L42 R43 D55 V56 I57 F85 L88Y39-L53 HydrophobicContact CD2-CD2 3.43Å; Y39-L53 VanDerWaalsContact CD2-CD2 3.43Å; Y39-L53 HydrophobicContact CD2-CG 4.41Å; Y39-L53 HydrophobicContact CE2-CD2 3.82Å; Y39-L53 HydrophobicContact CG-CD2 4.17Å; L42-L53 HydrophobicContact CB-CD1 4.16Å; L42-L53 HydrophobicContact CB-CD2 3.74Å; L42-L53 HydrophobicContact CB-CG 4.38Å; L42-L53 HydrophobicContact CD1-CD1 4.15Å; R43-L53 HydrophobicContact CB-CD2 4.41Å; L53-D55 VanDerWaalsContact C-N 3.3Å; L53-D55 PolarHBondContact O-N 2.9Å; L53-V56 WeakPolarHBondContact O-CB 3.21Å; L53-V56 PolarHBondContact O-N 3.37Å; L53-I57 HydrophobicContact CD1-CG2 4.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.16Å; L53-I57 PolarHBondContact O-N 3.02Å; L53-I57 VanDerWaalsContact O-N 3.08Å; L53-F85 HydrophobicContact CB-CD1 4.22Å; L53-F85 HydrophobicContact CB-CE1 3.95Å; L53-F85 HydrophobicContact CD1-CD1 4.11Å; L53-L88 HydrophobicContact CD1-CD2 3.62Å
54D98Very high97.5Very high21 Ų2135.6 Ų35.611%0.11220%0.197CC..Hα-helixtrans-65.9-37-179.8-71.4-20000111.1K11 Y39 T52 V56 I57 Q58K11-D54 WeakPolarHBondContact CD-OD2 3.42Å; K11-D54 WeakPolarHBondContact CE-OD2 3.27Å; K11-D54 IonicContact NZ-OD2 3.95Å; K11-D54 PolarHBondContact NZ-OD2 3.48Å; Y39-D54 VanDerWaalsContact CE2-OD1 3.25Å; Y39-D54 WeakPolarHBondContact CE2-OD1 3.43Å; Y39-D54 PolarHBondContact OH-OD1 3.43Å; T52-D54 VanDerWaalsContact C-N 3.27Å; T52-D54 PolarHBondContact O-N 3.02Å; T52-D54 PolarHBondContact OG1-N 3.4Å; D54-V56 VanDerWaalsContact C-N 3.33Å; D54-I57 PolarHBondContact O-N 3.27Å; D54-Q58 WeakPolarHBondContact O-CB 3.31Å; D54-Q58 PolarHBondContact O-N 2.98Å
55D98Very high97.1Very high10 Ų1032.6 Ų32.65%0.05319%0.188CC..Hα-helixtrans-64.4-41174.2-54.2-62.2000111.1T6 Y51 T52 L53 I57T6-D55 VanDerWaalsContact CB-OD1 3.32Å; T6-D55 WeakPolarHBondContact CB-OD1 3.11Å; T6-D55 WeakPolarHBondContact CG2-OD1 3.28Å; T6-D55 WeakPolarHBondContact CG2-OD2 3.38Å; T6-D55 PolarHBondContact OG1-OD1 3.25Å; Y51-D55 HydrophobicContact CD1-CB 4.18Å; Y51-D55 HydrophobicContact CD2-CB 3.77Å; Y51-D55 HydrophobicContact CE1-CB 3.81Å; Y51-D55 HydrophobicContact CE2-CB 3.38Å; Y51-D55 HydrophobicContact CG-CB 4.16Å; Y51-D55 VanDerWaalsContact CZ-CB 3.41Å; Y51-D55 PolarHBondContact OH-O 3.04Å; T52-D55 WeakPolarHBondContact CB-OD2 3.37Å; T52-D55 PolarHBondContact N-OD2 2.7Å; T52-D55 PolarHBondContact O-N 3.39Å; T52-D55 PolarHBondContact OG1-N 3.48Å; T52-D55 PolarHBondContact OG1-OD2 2.92Å; L53-D55 VanDerWaalsContact C-N 3.3Å; L53-D55 PolarHBondContact O-N 2.9Å; D55-I57 VanDerWaalsContact C-N 3.34Å; D55-I57 PolarHBondContact O-N 3.33Å
56V98.6Very high96.4Very high0 Ų030.1 Ų30.10%018%0.178CC..Hα-helixtrans-57.4-45.8176.61690000111.2Y51 T52 L53 D54 C74 V75 F85 L88 L89Y51-V56 HydrophobicContact CD1-CG2 3.93Å; Y51-V56 HydrophobicContact CE1-CG2 3.69Å; T52-V56 WeakPolarHBondContact O-CG2 3.45Å; T52-V56 PolarHBondContact O-N 3.03Å; T52-V56 VanDerWaalsContact O-N 3.09Å; L53-V56 WeakPolarHBondContact O-CB 3.21Å; L53-V56 PolarHBondContact O-N 3.37Å; D54-V56 VanDerWaalsContact C-N 3.33Å; V56-C74 HydrophobicContact CG1-CB 3.82Å; V56-C74 CarbonylContact O-C 3.52Å; V56-C74 WeakPolarHBondContact O-CA 3.2Å; V56-C74 WeakPolarHBondContact O-CB 3.3Å; V56-V75 WeakPolarHBondContact CA-O 3.36Å; V56-V75 PolarHBondContact O-N 3.43Å; V56-F85 HydrophobicContact CG2-CD2 3.62Å; V56-F85 HydrophobicContact CG2-CE2 3.82Å; V56-F85 HydrophobicContact CG2-CG 4.25Å; V56-L88 HydrophobicContact CG1-CD2 4.38Å; V56-L89 HydrophobicContact CG1-CD2 4.25Å
57I98.5Very high95.3Very high4 Ų429.9 Ų29.92%0.02119%0.187CC..Hα-helixtrans-93.5-13.4-170.670.2178.9000114.6P21 M30 L34 Y39 L53 D54 D55 T59 G60 V61 L88P21-I57 HydrophobicContact CG-CD1 4.18Å; M30-I57 HydrophobicContact CE-CB 3.99Å; M30-I57 HydrophobicContact CG-CB 4.07Å; M30-I57 HydrophobicContact CG-CG2 3.75Å; M30-I57 HydrophobicContact SD-CB 3.91Å; M30-I57 HydrophobicContact SD-CG2 3.93Å; L34-I57 HydrophobicContact CD2-CD1 3.81Å; Y39-I57 HydrophobicContact CD2-CD1 4.41Å; Y39-I57 HydrophobicContact CE2-CD1 4.15Å; L53-I57 HydrophobicContact CD1-CG2 4.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.16Å; L53-I57 PolarHBondContact O-N 3.02Å; L53-I57 VanDerWaalsContact O-N 3.08Å; D54-I57 PolarHBondContact O-N 3.27Å; D55-I57 VanDerWaalsContact C-N 3.34Å; D55-I57 PolarHBondContact O-N 3.33Å; I57-T59 PolarHBondContact O-N 2.81Å; I57-T59 VanDerWaalsContact O-N 3.09Å; I57-G60 WeakPolarHBondContact O-CA 3.23Å; I57-G60 PolarHBondContact O-N 3.11Å; I57-V61 HydrophobicContact CD1-CG2 4.23Å; I57-V61 HydrophobicContact CG1-CG2 4.06Å; I57-V61 PolarHBondContact O-N 3.31Å; I57-L88 HydrophobicContact CG2-CD2 3.62Å
58Q98.3Very high94.1Very high42 Ų4235.9 Ų35.920%0.19621%0.212CC..Hα-helixtrans-52.6-41.9-169.3-171.467.267.600112.9D54 G60 V61 D62D54-Q58 WeakPolarHBondContact O-CB 3.31Å; D54-Q58 PolarHBondContact O-N 2.98Å; Q58-G60 VanDerWaalsContact C-N 3.3Å; Q58-G60 PolarHBondContact O-N 2.82Å; Q58-V61 PolarHBondContact O-N 3.34Å; Q58-D62 PolarHBondContact NE2-OD1 2.74Å; Q58-D62 WeakPolarHBondContact O-CB 3.26Å; Q58-D62 PolarHBondContact O-N 3.36Å
59T97.4Very high93.1Very high5 Ų533.2 Ų33.23%0.03119%0.192CC..Hα-helixtrans-63.3-36.3179.5-165.60000112.2I57 N63 V75 L201 A205I57-T59 PolarHBondContact O-N 2.81Å; I57-T59 VanDerWaalsContact O-N 3.09Å; T59-N63 WeakPolarHBondContact O-CB 3.35Å; T59-N63 PolarHBondContact O-N 2.76Å; T59-N63 PolarHBondContact O-ND2 3.29Å; T59-V75 HydrophobicContact CG2-CG1 4.26Å; T59-L201 PolarHBondContact OG1-O 2.92Å; T59-A205 HydrophobicContact CG2-CB 4.5Å
60G98Very high92.6Very high0 Ų034.6 Ų34.60%019%0.194CC..Hα-helixtrans-75.2-31.5175.800000113.1H26 N28 I57 Q58 N63 G73H26-G60 PolarHBondContact CD2-O 3.46Å; N28-G60 PolarHBondContact ND2-O 3.34Å; I57-G60 WeakPolarHBondContact O-CA 3.23Å; I57-G60 PolarHBondContact O-N 3.11Å; Q58-G60 VanDerWaalsContact C-N 3.3Å; Q58-G60 PolarHBondContact O-N 2.82Å; G60-N63 CarbonylContact O-C 3.49Å; G60-N63 VanDerWaalsContact O-O 3.13Å; G60-G73 VanDerWaalsContact CA-CA 3.47Å; G60-G73 WeakPolarHBondContact CA-O 3.46Å; G60-G73 PolarHBondContact N-O 3.28Å
61V97.9Very high92.4Very high39 Ų3934.6 Ų34.624%0.23619%0.193CC..Hα-helixtrans-65.3-46.6173.1177.40000110.3P21 L23 H26 M30 I57 Q58 N63P21-V61 HydrophobicContact CB-CG1 4.14Å; P21-V61 HydrophobicContact CB-CG2 3.78Å; P21-V61 HydrophobicContact CG-CG2 4.14Å; L23-V61 HydrophobicContact CD2-CG2 4.26Å; H26-V61 PolarHBondContact NE2-O 2.88Å; M30-V61 HydrophobicContact CE-CG2 4.15Å; I57-V61 HydrophobicContact CD1-CG2 4.23Å; I57-V61 HydrophobicContact CG1-CG2 4.06Å; I57-V61 PolarHBondContact O-N 3.31Å; Q58-V61 PolarHBondContact O-N 3.34Å; V61-N63 VanDerWaalsContact C-N 3.32Å; V61-N63 PolarHBondContact O-N 3.07Å
62D96.9Very high92.3Very high63 Ų6334.7 Ų34.734%0.33719%0.194SC..Hα-helixtrans-73.8-24.3-178.2-69.51.2000112.7Q58 P64 C204Q58-D62 PolarHBondContact NE2-OD1 2.74Å; Q58-D62 WeakPolarHBondContact O-CB 3.26Å; Q58-D62 PolarHBondContact O-N 3.36Å; D62-P64 WeakPolarHBondContact O-CD 3.5Å; D62-C204 HydrophobicContact CB-CB 3.86Å; D62-C204 WeakPolarHBondContact CB-SG 3.41Å; D62-C204 PolarHBondContact OD2-SG 2.99Å; D62-C204 VanDerWaalsContact OD2-SG 3.34Å
63N96Very high92.3Very high15 Ų1534.1 Ų34.18%0.0819%0.192CC..  trans-117.792.2-176.9-62.1-86.4000111.1N28 T59 G60 V61 G65 P200 L201N28-N63 PolarHBondContact ND2-O 3.19Å; N28-N63 VanDerWaalsContact ND2-O 3.12Å; T59-N63 WeakPolarHBondContact O-CB 3.35Å; T59-N63 PolarHBondContact O-N 2.76Å; T59-N63 PolarHBondContact O-ND2 3.29Å; G60-N63 CarbonylContact O-C 3.49Å; G60-N63 VanDerWaalsContact O-O 3.13Å; V61-N63 VanDerWaalsContact C-N 3.32Å; V61-N63 PolarHBondContact O-N 3.07Å; N63-G65 PolarHBondContact O-N 2.81Å; N63-G65 VanDerWaalsContact O-N 3.08Å; N63-P200 PolarHBondContact ND2-O 3.3Å; N63-P200 VanDerWaalsContact OD1-CB 3.24Å; N63-P200 WeakPolarHBondContact OD1-CB 3.42Å; N63-P200 WeakPolarHBondContact OD1-CG 3.39Å; N63-L201 HydrophobicContact CB-CD2 3.89Å
64P94.3Very high92.3Very high65 Ų6534.1 Ų34.142%0.42219%0.192SC..SBendtrans-66-13.9-177.826.7-34.8000113.6H26 N27 D62H26-P64 CarbonylContact C-O 3.57Å; H26-P64 WeakPolarHBondContact CA-O 3.35Å; H26-P64 HydrophobicContact CB-CB 4.47Å; H26-P64 VanDerWaalsContact CD2-CA 3.48Å; H26-P64 WeakPolarHBondContact CD2-CA 3.35Å; N27-P64 PolarHBondContact N-O 2.69Å; D62-P64 WeakPolarHBondContact O-CD 3.5Å
65G89.3Confident92.3Very high30 Ų3033.6 Ų33.631%0.30919%0.189SC..  trans178.7-174.3174.700000110.2N63N63-G65 PolarHBondContact O-N 2.81Å; N63-G65 VanDerWaalsContact O-N 3.08Å
66H81.6Confident92.4Very high36 Ų3633.1 Ų33.117%0.16719%0.187CC..  trans-136.2142174.4-167.3-98.4000110.6F68 I69 T71 D326H66-F68 AromaticContact CE1-CD2 3.8Å; H66-F68 PolarHBondContact O-N 3.46Å; H66-F68 VanDerWaalsContact O-N 3.08Å; H66-I69 HydrophobicContact CB-CG1 4.28Å; H66-T71 HydrophobicContact CB-CG2 3.47Å; H66-T71 VanDerWaalsContact CB-CG2 3.47Å; H66-D326 IonicContact CE1-OD1 2.86Å; H66-D326 PolarHBondContact CE1-OD1 3.45Å; H66-D326 IonicContact NE2-OD1 3.63Å; H66-D326 PolarHBondContact NE2-OD1 3.33Å; H66-D326 VanDerWaalsContact NE2-OD1 3.16Å
67P75.5Confident92.4Very high111 Ų11133.1 Ų33.172%0.72119%0.187SC*.SBendtrans-60-24.5-174-26.535.2000115.2
68F71.8Confident92.4Very high131 Ų13133 Ų3358%0.57519%0.186SC*.SBendtrans-118.2-19.7-168.7-54.7-61.3000115.3H66H66-F68 AromaticContact CE1-CD2 3.8Å; H66-F68 PolarHBondContact O-N 3.46Å; H66-F68 VanDerWaalsContact O-N 3.08Å
69I77Confident92.4Very high55 Ų5532.5 Ų32.528%0.28218%0.184SC..SBendtrans-147.5154.3-172.459.4164.7000111.6H66 T71 V325H66-I69 HydrophobicContact CB-CG1 4.28Å; I69-T71 HydrophobicContact CD1-CG2 4.45Å; I69-T71 HydrophobicContact CG1-CG2 4.31Å; I69-T71 PolarHBondContact O-N 2.82Å; I69-V325 HydrophobicContact CD1-CG2 3.72Å; I69-V325 HydrophobicContact CG1-CG2 4.33Å; I69-V325 HydrophobicContact CG2-CG2 4.49Å
70M87Confident92.5Very high69 Ų6936.2 Ų36.234%0.3420%0.201SC..  trans-70.2120.4162.3-179.667.86200109N27 H29N27-M70 VanDerWaalsContact OD1-CE 3.28Å; N27-M70 WeakPolarHBondContact OD1-CE 3.25Å; H29-M70 WeakPolarHBondContact NE2-CG 3.41Å
71T92.1Very high92.5Very high7 Ų736.2 Ų36.24%0.04320%0.201CC..BIsolated β-bridgetrans-91.1156.6178.354.50000111.6N28 H29 H66 I69 L201N28-T71 WeakPolarHBondContact CA-O 3.41Å; N28-T71 WeakPolarHBondContact CB-O 3.4Å; N28-T71 WeakPolarHBondContact CB-OG1 3.16Å; H29-T71 PolarHBondContact CD2-O 2.81Å; H29-T71 VanDerWaalsContact CD2-O 3.24Å; H29-T71 PolarHBondContact N-O 2.9Å; H66-T71 HydrophobicContact CB-CG2 3.47Å; H66-T71 VanDerWaalsContact CB-CG2 3.47Å; I69-T71 HydrophobicContact CD1-CG2 4.45Å; I69-T71 HydrophobicContact CG1-CG2 4.31Å; I69-T71 PolarHBondContact O-N 2.82Å; T71-L201 HydrophobicContact CG2-CD1 3.83Å; T71-L201 HydrophobicContact CG2-CD2 4.09Å
72V96.6Very high92.6Very high8 Ų834.8 Ų34.85%0.04819%0.191CC..  trans-72-45.6176-174.90000111.1H29 M30 C74 I92 R96 P284H29-V72 PolarHBondContact N-O 3.41Å; M30-V72 WeakPolarHBondContact CB-O 3.18Å; M30-V72 PolarHBondContact N-O 3.46Å; V72-C74 VanDerWaalsContact C-N 3.34Å; V72-I92 HydrophobicContact CG1-CG2 3.58Å; V72-R96 HydrophobicContact CG2-CG 4.42Å; V72-P284 HydrophobicContact CG1-CB 3.97Å; V72-P284 HydrophobicContact CG1-CG 3.84Å
73G97.4Very high92.6Very high5 Ų537.6 Ų37.65%0.05220%0.202CC..  trans80.111.2179.500000114.7M30 G60M30-G73 WeakPolarHBondContact CB-O 3.36Å; G60-G73 VanDerWaalsContact CA-CA 3.47Å; G60-G73 WeakPolarHBondContact CA-O 3.46Å; G60-G73 PolarHBondContact N-O 3.28Å
74C98.5Very high92.8Very high1 Ų139 Ų391%0.00721%0.212CC..  trans-150.2161.3171.265.60000112M30 V56 V72 P284M30-C74 HydrophobicContact CB-CB 4.18Å; M30-C74 HydrophobicContact CG-CB 4.13Å; V56-C74 HydrophobicContact CG1-CB 3.82Å; V56-C74 CarbonylContact O-C 3.52Å; V56-C74 WeakPolarHBondContact O-CA 3.2Å; V56-C74 WeakPolarHBondContact O-CB 3.3Å; V72-C74 VanDerWaalsContact C-N 3.34Å; C74-P284 WeakPolarHBondContact O-CD 3.45Å
75V98.7Very high93Very high9 Ų935.9 Ų35.96%0.05519%0.191CC..  trans-139.3156.5179.1-68.30000111.2Y51 V56 T59 P144 A205 T282Y51-V75 WeakPolarHBondContact OH-CG2 3.33Å; V56-V75 WeakPolarHBondContact CA-O 3.36Å; V56-V75 PolarHBondContact O-N 3.43Å; T59-V75 HydrophobicContact CG2-CG1 4.26Å; V75-P144 HydrophobicContact CB-CG 4.08Å; V75-P144 HydrophobicContact CG2-CB 4.19Å; V75-P144 HydrophobicContact CG2-CG 3.89Å; V75-A205 HydrophobicContact CG1-CB 4.1Å; V75-A205 HydrophobicContact CG2-CB 3.99Å; V75-T282 CarbonylContact C-O 3.44Å; V75-T282 WeakPolarHBondContact CA-O 3.25Å; V75-T282 HydrophobicContact CB-CG2 3.92Å; V75-T282 HydrophobicContact CG1-CG2 3.98Å
76A98.8Very high93.4Very high0 Ų038.1 Ų38.10%019%0.193CC..  trans-94.5141.3169.200000110.8Y82 L142 P144 T282A76-Y82 HydrophobicContact CB-CD2 3.9Å; A76-Y82 HydrophobicContact CB-CE2 3.29Å; A76-L142 HydrophobicContact CB-CD1 3.78Å; A76-L142 WeakPolarHBondContact O-CD1 3.36Å; A76-P144 WeakPolarHBondContact O-CG 3.5Å; A76-T282 PolarHBondContact N-O 3.37Å
77G98.4Very high94.2Very high0 Ų039.2 Ų39.20%020%0.199CC..SBendtrans-96.2-1617600000113.5Y51 S81 T141 L142Y51-G77 VanDerWaalsContact CE1-CA 3.46Å; G77-S81 PolarHBondContact N-OG 2.83Å; G77-S81 VanDerWaalsContact N-OG 3.14Å; G77-T141 CarbonylContact O-C 3.59Å; G77-T141 WeakPolarHBondContact O-CA 3.43Å; G77-T141 WeakPolarHBondContact O-CB 3.49Å; G77-L142 PolarHBondContact O-N 3.23Å
78D98.8Very high95.3Very high3 Ų333.9 Ų33.92%0.01617%0.165CC..SBendtrans-162.9-179.6178.950.429.7000110.4T47 S49 E80 S81 T141T47-D78 WeakPolarHBondContact CB-OD2 3.23Å; T47-D78 VanDerWaalsContact CG2-OD1 3.32Å; T47-D78 WeakPolarHBondContact CG2-OD1 3.49Å; T47-D78 PolarHBondContact OG1-OD2 2.92Å; S49-D78 WeakPolarHBondContact CB-OD2 3.45Å; S49-D78 PolarHBondContact OG-OD2 2.98Å; D78-E80 VanDerWaalsContact C-N 3.33Å; D78-S81 PolarHBondContact N-OG 3.39Å; D78-S81 WeakPolarHBondContact O-CB 3.34Å; D78-S81 PolarHBondContact O-OG 2.93Å; D78-S81 WeakPolarHBondContact OD1-CB 3.24Å; D78-S81 PolarHBondContact OD1-N 3.5Å; D78-S81 PolarHBondContact OD1-OG 3.43Å; D78-T141 HydrophobicContact CB-CG2 4.21Å
79E98.6Very high96.6Very high31 Ų3127.7 Ų27.715%0.14514%0.138CC..SBendtrans-65.6-39.7-179.9-167.3173.2-162.700110.9S81 Y82 K138 M272 I280E79-S81 VanDerWaalsContact C-N 3.27Å; E79-S81 PolarHBondContact O-N 3.2Å; E79-Y82 PolarHBondContact O-N 3.2Å; E79-K138 VanDerWaalsContact CD-NZ 3.28Å; E79-K138 IonicContact OE1-NZ 3.85Å; E79-K138 PolarHBondContact OE1-NZ 3.42Å; E79-K138 IonicContact OE2-NZ 3.29Å; E79-K138 PolarHBondContact OE2-NZ 3.44Å; E79-M272 HydrophobicContact CB-CE 4.14Å; E79-M272 HydrophobicContact CB-CG 4.26Å; E79-M272 HydrophobicContact CB-SD 3.84Å; E79-M272 HydrophobicContact CG-CB 4.25Å; E79-M272 HydrophobicContact CG-CG 4.24Å; E79-M272 HydrophobicContact CG-SD 4.3Å; E79-I280 HydrophobicContact CG-CG1 4.41Å
80E98.8Very high97.6Very high83 Ų8326.9 Ų26.939%0.38813%0.134SC..THydrogen-bonded Turntrans-67.6-24.1-177.6-65.382.417600113.3T47 P48 D78 Y82 E83 V84T47-E80 HydrophobicContact CG2-CB 4.38Å; P48-E80 HydrophobicContact CG-CG 4.07Å; D78-E80 VanDerWaalsContact C-N 3.33Å; E80-Y82 PolarHBondContact O-N 3.22Å; E80-Y82 VanDerWaalsContact O-N 3.16Å; E80-E83 PolarHBondContact O-N 3.44Å; E80-V84 HydrophobicContact CB-CG2 4.49Å; E80-V84 WeakPolarHBondContact O-CG2 3.31Å; E80-V84 PolarHBondContact O-N 2.58Å
81S98.9Very high98.2Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-49.8-40.4175.2-66.20000112G77 D78 E79 E83 F85 L89G77-S81 PolarHBondContact N-OG 2.83Å; G77-S81 VanDerWaalsContact N-OG 3.14Å; D78-S81 PolarHBondContact N-OG 3.39Å; D78-S81 WeakPolarHBondContact O-CB 3.34Å; D78-S81 PolarHBondContact O-OG 2.93Å; D78-S81 WeakPolarHBondContact OD1-CB 3.24Å; D78-S81 PolarHBondContact OD1-N 3.5Å; D78-S81 PolarHBondContact OD1-OG 3.43Å; E79-S81 VanDerWaalsContact C-N 3.27Å; E79-S81 PolarHBondContact O-N 3.2Å; S81-E83 VanDerWaalsContact C-N 3.3Å; S81-E83 PolarHBondContact O-N 2.91Å; S81-F85 WeakPolarHBondContact O-CB 3.23Å; S81-F85 VanDerWaalsContact O-CD2 3.31Å; S81-F85 WeakPolarHBondContact O-CD2 3.22Å; S81-F85 PolarHBondContact O-N 2.92Å; S81-F85 VanDerWaalsContact O-N 3.09Å; S81-L89 WeakPolarHBondContact O-CD1 3.3Å
82Y98.8Very high98.5Very high9 Ų925.9 Ų25.94%0.03513%0.133CC..Hα-helixtrans-69.3-23.9-179.4-75.1-75.2000113.9A76 E79 E80 K86 L89 I93 L277 I280 L281 P284 L287A76-Y82 HydrophobicContact CB-CD2 3.9Å; A76-Y82 HydrophobicContact CB-CE2 3.29Å; E79-Y82 PolarHBondContact O-N 3.2Å; E80-Y82 PolarHBondContact O-N 3.22Å; E80-Y82 VanDerWaalsContact O-N 3.16Å; Y82-K86 WeakPolarHBondContact O-CB 3.31Å; Y82-L89 HydrophobicContact CD1-CB 4.5Å; Y82-L89 HydrophobicContact CD1-CD1 3.83Å; Y82-L89 HydrophobicContact CE1-CD1 4.28Å; Y82-L89 HydrophobicContact CG-CD1 4.38Å; Y82-I93 HydrophobicContact CD1-CD1 4.16Å; Y82-I93 HydrophobicContact CE1-CD1 4.23Å; Y82-L277 HydrophobicContact CD1-CD1 3.9Å; Y82-L277 HydrophobicContact CG-CD1 3.85Å; Y82-I280 HydrophobicContact CD2-CD1 4.34Å; Y82-I280 HydrophobicContact CD2-CG2 3.61Å; Y82-I280 HydrophobicContact CE2-CG2 3.47Å; Y82-I280 VanDerWaalsContact CE2-CG2 3.47Å; Y82-L281 WeakPolarHBondContact CE2-O 3.45Å; Y82-L281 PolarHBondContact OH-O 3.44Å; Y82-P284 HydrophobicContact CE1-CG 4.23Å; Y82-L287 HydrophobicContact CD1-CD1 4.28Å; Y82-L287 HydrophobicContact CE1-CD1 3.66Å; Y82-L287 HydrophobicContact CE1-CD2 4.09Å; Y82-L287 HydrophobicContact CE1-CG 4.3Å; Y82-L287 HydrophobicContact CE2-CD2 4.09Å
83E98.6Very high98.6Very high121 Ų12125.6 Ų25.657%0.56513%0.131SC*.Hα-helixtrans-91.5-46.5175.4-18059.4-149.700111.3E80 S81 F85 K86E80-E83 PolarHBondContact O-N 3.44Å; S81-E83 VanDerWaalsContact C-N 3.3Å; S81-E83 PolarHBondContact O-N 2.91Å; E83-F85 VanDerWaalsContact C-N 3.29Å; E83-F85 PolarHBondContact O-N 2.88Å; E83-K86 WeakPolarHBondContact O-CG 3.4Å; E83-K86 PolarHBondContact O-N 2.96Å; E83-K86 IonicContact OE1-NZ 3.83Å; E83-K86 PolarHBondContact OE1-NZ 2.97Å
84V98.8Very high98.5Very high45 Ų4527.2 Ų27.227%0.27314%0.141SC..Hα-helixtrans-62.4-37.6-176.8174.70000111.4K45 T47 E80K45-V84 HydrophobicContact CB-CG1 3.89Å; T47-V84 HydrophobicContact CG2-CB 4.28Å; T47-V84 HydrophobicContact CG2-CG2 4.21Å; E80-V84 HydrophobicContact CB-CG2 4.49Å; E80-V84 WeakPolarHBondContact O-CG2 3.31Å; E80-V84 PolarHBondContact O-N 2.58Å
85F98.8Very high98.3Very high0 Ų030.9 Ų30.90%016%0.161CC..THydrogen-bonded Turntrans-109.322.4-177.2-50.8-66.9000113.3L42 K45 T47 Y51 T52 L53 V56 S81 E83 D87 L88 L89L42-F85 HydrophobicContact CB-CD1 4.45Å; K45-F85 HydrophobicContact CB-CE1 4.05Å; T47-F85 HydrophobicContact CG2-CE2 3.73Å; T47-F85 HydrophobicContact CG2-CZ 4.35Å; Y51-F85 WeakPolarHBondContact O-CZ 3.37Å; T52-F85 VanDerWaalsContact C-CZ 3.42Å; L53-F85 HydrophobicContact CB-CD1 4.22Å; L53-F85 HydrophobicContact CB-CE1 3.95Å; L53-F85 HydrophobicContact CD1-CD1 4.11Å; V56-F85 HydrophobicContact CG2-CD2 3.62Å; V56-F85 HydrophobicContact CG2-CE2 3.82Å; V56-F85 HydrophobicContact CG2-CG 4.25Å; S81-F85 WeakPolarHBondContact O-CB 3.23Å; S81-F85 VanDerWaalsContact O-CD2 3.31Å; S81-F85 WeakPolarHBondContact O-CD2 3.22Å; S81-F85 PolarHBondContact O-N 2.92Å; S81-F85 VanDerWaalsContact O-N 3.09Å; E83-F85 VanDerWaalsContact C-N 3.29Å; E83-F85 PolarHBondContact O-N 2.88Å; F85-D87 VanDerWaalsContact C-N 3.26Å; F85-D87 PolarHBondContact O-N 2.84Å; F85-L88 PolarHBondContact O-N 2.99Å; F85-L89 HydrophobicContact CB-CD1 4.03Å; F85-L89 HydrophobicContact CB-CG 4.33Å; F85-L89 PolarHBondContact O-N 3.35Å
86K98.6Very high98Very high77 Ų7732.4 Ų32.434%0.33517%0.166SC..Hα-helixtrans-58.1-31.6-175.170.9-174.6177.9-169.40114.9Y82 E83 L88 L89 D90Y82-K86 WeakPolarHBondContact O-CB 3.31Å; E83-K86 WeakPolarHBondContact O-CG 3.4Å; E83-K86 PolarHBondContact O-N 2.96Å; E83-K86 IonicContact OE1-NZ 3.83Å; E83-K86 PolarHBondContact OE1-NZ 2.97Å; K86-L88 PolarHBondContact O-N 3.15Å; K86-L88 VanDerWaalsContact O-N 3.14Å; K86-L89 PolarHBondContact O-N 2.85Å; K86-D90 VanDerWaalsContact O-CB 3.31Å; K86-D90 WeakPolarHBondContact O-CB 3.49Å; K86-D90 PolarHBondContact O-N 2.9Å
87D98.4Very high97.7Very high58 Ų5832.7 Ų32.731%0.3117%0.167SC..Hα-helixtrans-62.5-23.8177.3-66.9-22000112.6K41 L42 F85K41-D87 WeakPolarHBondContact CD-OD2 3.14Å; K41-D87 WeakPolarHBondContact CE-OD2 3.39Å; K41-D87 IonicContact NZ-OD1 2.9Å; K41-D87 IonicContact NZ-OD2 3.17Å; K41-D87 PolarHBondContact NZ-OD2 3.3Å; L42-D87 HydrophobicContact CD1-CB 4.29Å; F85-D87 VanDerWaalsContact C-N 3.26Å; F85-D87 PolarHBondContact O-N 2.84Å
88L98.8Very high97.3Very high0 Ų035.9 Ų35.90%020%0.2CC..Hα-helixtrans-93.7-44.9169.717764.6000111.6V33 L34 I38 L42 L53 V56 I57 F85 K86 P91 I92V33-L88 HydrophobicContact CB-CD1 4.24Å; V33-L88 HydrophobicContact CG1-CD1 3.83Å; L34-L88 HydrophobicContact CB-CD1 4.15Å; L34-L88 HydrophobicContact CD1-CD1 3.94Å; L34-L88 HydrophobicContact CD1-CD2 4.28Å; I38-L88 HydrophobicContact CG2-CB 4.04Å; I38-L88 HydrophobicContact CG2-CD1 4.37Å; L42-L88 HydrophobicContact CD1-CB 3.99Å; L53-L88 HydrophobicContact CD1-CD2 3.62Å; V56-L88 HydrophobicContact CG1-CD2 4.38Å; I57-L88 HydrophobicContact CG2-CD2 3.62Å; F85-L88 PolarHBondContact O-N 2.99Å; K86-L88 PolarHBondContact O-N 3.15Å; K86-L88 VanDerWaalsContact O-N 3.14Å; L88-P91 WeakPolarHBondContact O-CD 3.41Å; L88-I92 HydrophobicContact CD1-CD1 3.81Å; L88-I92 HydrophobicContact CG-CD1 3.79Å; L88-I92 WeakPolarHBondContact O-CD1 3.27Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.42Å
89L98.7Very high97.1Very high0 Ų037.6 Ų37.60%022%0.218CC..Hα-helixtrans-75.6-36.3-169.9-68.1172.9000113.3V56 S81 Y82 F85 K86 I92 I93 P284V56-L89 HydrophobicContact CG1-CD2 4.25Å; S81-L89 WeakPolarHBondContact O-CD1 3.3Å; Y82-L89 HydrophobicContact CD1-CB 4.5Å; Y82-L89 HydrophobicContact CD1-CD1 3.83Å; Y82-L89 HydrophobicContact CE1-CD1 4.28Å; Y82-L89 HydrophobicContact CG-CD1 4.38Å; F85-L89 HydrophobicContact CB-CD1 4.03Å; F85-L89 HydrophobicContact CB-CG 4.33Å; F85-L89 PolarHBondContact O-N 3.35Å; K86-L89 PolarHBondContact O-N 2.85Å; L89-I92 WeakPolarHBondContact O-CB 3.41Å; L89-I92 PolarHBondContact O-N 3.48Å; L89-I93 HydrophobicContact CB-CD1 4.39Å; L89-I93 WeakPolarHBondContact O-CB 3.38Å; L89-I93 WeakPolarHBondContact O-CD1 3.43Å; L89-I93 WeakPolarHBondContact O-CG1 3.26Å; L89-I93 PolarHBondContact O-N 3.26Å; L89-P284 HydrophobicContact CD2-CG 4.24Å
90D98.5Very high96.9Very high39 Ų3936.8 Ų36.821%0.20921%0.214CC..Hα-helixtrans-62.3-47.6-179.5-71.2-2.7000112.2K86 I92 I93 S94 S102K86-D90 VanDerWaalsContact O-CB 3.31Å; K86-D90 WeakPolarHBondContact O-CB 3.49Å; K86-D90 PolarHBondContact O-N 2.9Å; D90-I92 VanDerWaalsContact C-N 3.31Å; D90-I92 PolarHBondContact O-N 3.44Å; D90-I93 PolarHBondContact O-N 3.2Å; D90-S94 WeakPolarHBondContact O-CB 3.45Å; D90-S94 PolarHBondContact O-N 3.04Å; D90-S102 WeakPolarHBondContact OD2-CB 3.43Å
91P98.4Very high96.9Very high55 Ų5538.8 Ų38.836%0.35722%0.222SC..Hα-helixtrans-63.7-35.1175.4-20.231.4000113.1V33 L88 S94 D95V33-P91 HydrophobicContact CG1-CB 3.7Å; V33-P91 HydrophobicContact CG1-CG 4.04Å; V33-P91 HydrophobicContact CG2-CB 4.04Å; L88-P91 WeakPolarHBondContact O-CD 3.41Å; P91-S94 PolarHBondContact O-N 3.48Å; P91-D95 PolarHBondContact O-N 3.13Å
92I98.4Very high96.7Very high0 Ų042.3 Ų42.30%025%0.246CC..Hα-helixtrans-64.4-45.1175.1-70171000110.6H29 M30 V33 V72 L88 L89 D90 S94 D95 R96H29-I92 HydrophobicContact CB-CG2 3.96Å; M30-I92 HydrophobicContact CB-CD1 4Å; M30-I92 HydrophobicContact CG-CD1 4.33Å; V33-I92 HydrophobicContact CB-CG1 3.92Å; V33-I92 HydrophobicContact CG1-CG1 4.27Å; V33-I92 HydrophobicContact CG2-CG1 3.74Å; V72-I92 HydrophobicContact CG1-CG2 3.58Å; L88-I92 HydrophobicContact CD1-CD1 3.81Å; L88-I92 HydrophobicContact CG-CD1 3.79Å; L88-I92 WeakPolarHBondContact O-CD1 3.27Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.42Å; L89-I92 WeakPolarHBondContact O-CB 3.41Å; L89-I92 PolarHBondContact O-N 3.48Å; D90-I92 VanDerWaalsContact C-N 3.31Å; D90-I92 PolarHBondContact O-N 3.44Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-D95 PolarHBondContact O-N 2.97Å; I92-R96 VanDerWaalsContact O-CB 3.3Å; I92-R96 WeakPolarHBondContact O-CB 3.49Å; I92-R96 PolarHBondContact O-N 2.9Å
93I98.1Very high96.6Very high2 Ų247.3 Ų47.31%0.0128%0.278CS..Hα-helixtrans-62.1-45.2177.8-71.1163.8000109.8Y82 L89 D90 R96 H97 Y100 L277 P284 L287 L342Y82-I93 HydrophobicContact CD1-CD1 4.16Å; Y82-I93 HydrophobicContact CE1-CD1 4.23Å; L89-I93 HydrophobicContact CB-CD1 4.39Å; L89-I93 WeakPolarHBondContact O-CB 3.38Å; L89-I93 WeakPolarHBondContact O-CD1 3.43Å; L89-I93 WeakPolarHBondContact O-CG1 3.26Å; L89-I93 PolarHBondContact O-N 3.26Å; D90-I93 PolarHBondContact O-N 3.2Å; I93-R96 PolarHBondContact O-N 2.86Å; I93-H97 WeakPolarHBondContact O-CB 3.25Å; I93-H97 PolarHBondContact O-CD2 3.31Å; I93-H97 PolarHBondContact O-N 3.24Å; I93-Y100 HydrophobicContact CG2-CD1 4.21Å; I93-L277 HydrophobicContact CD1-CD2 4.04Å; I93-P284 HydrophobicContact CG1-CB 4.06Å; I93-L287 HydrophobicContact CD1-CD1 3.53Å; I93-L287 HydrophobicContact CG1-CD1 3.8Å; I93-L342 HydrophobicContact CG2-CD2 3.48Å; I93-L342 VanDerWaalsContact CG2-CD2 3.48Å
94S96.8Very high96.6Very high38 Ų3844.3 Ų44.327%0.26627%0.266SS..Hα-helixtrans-59-51176.2177.30000111.7D90 P91 I92 R96 H97 G98 G99 Y100D90-S94 WeakPolarHBondContact O-CB 3.45Å; D90-S94 PolarHBondContact O-N 3.04Å; P91-S94 PolarHBondContact O-N 3.48Å; I92-S94 VanDerWaalsContact C-N 3.35Å; S94-R96 VanDerWaalsContact C-N 3.35Å; S94-R96 PolarHBondContact O-N 3.03Å; S94-H97 PolarHBondContact O-N 3.42Å; S94-G98 PolarHBondContact O-N 2.78Å; S94-G99 WeakPolarHBondContact O-CA 2.82Å; S94-G99 PolarHBondContact O-N 2.77Å; S94-Y100 VanDerWaalsContact CA-O 3.26Å; S94-Y100 WeakPolarHBondContact CA-O 3.43Å; S94-Y100 VanDerWaalsContact CB-O 3.25Å; S94-Y100 WeakPolarHBondContact CB-O 3.48Å
95D94.2Very high96.5Very high78 Ų7848.2 Ų48.242%0.41728%0.279SS..Hα-helixtrans-62.7-41.3179.1-171.139.3000111.5H29 K32 P91 I92H29-D95 IonicContact CE1-OD2 2.7Å; H29-D95 PolarHBondContact CE1-OD2 2.94Å; H29-D95 VanDerWaalsContact CE1-OD2 3.29Å; H29-D95 IonicContact CG-OD2 3.71Å; H29-D95 IonicContact ND1-OD2 2.68Å; H29-D95 PolarHBondContact ND1-OD2 3.28Å; K32-D95 IonicContact NZ-OD2 3.99Å; P91-D95 PolarHBondContact O-N 3.13Å; I92-D95 PolarHBondContact O-N 2.97Å
96R92.6Very high96.5Very high41 Ų4149 Ų4916%0.15528%0.283CS..Hα-helixtrans-71-37-179178.857.1-170.782.60.3113.1H29 V72 I92 I93 S94 A339H29-R96 WeakPolarHBondContact NE2-CD 3.3Å; V72-R96 HydrophobicContact CG2-CG 4.42Å; I92-R96 VanDerWaalsContact O-CB 3.3Å; I92-R96 WeakPolarHBondContact O-CB 3.49Å; I92-R96 PolarHBondContact O-N 2.9Å; I93-R96 PolarHBondContact O-N 2.86Å; S94-R96 VanDerWaalsContact C-N 3.35Å; S94-R96 PolarHBondContact O-N 3.03Å; R96-A339 PolarHBondContact NH1-O 3.13Å; R96-A339 PolarHBondContact NH2-O 2.87Å
97H92.7Very high96.4Very high6 Ų650 Ų503%0.02829%0.287CS..THydrogen-bonded Turntrans-106.735.2-174.8-64.2-82.2000112.8I93 S94 G99 P284 S285 L342I93-H97 WeakPolarHBondContact O-CB 3.25Å; I93-H97 PolarHBondContact O-CD2 3.31Å; I93-H97 PolarHBondContact O-N 3.24Å; S94-H97 PolarHBondContact O-N 3.42Å; H97-G99 PolarHBondContact O-N 3.41Å; H97-P284 PolarHBondContact NE2-O 3.46Å; H97-S285 PolarHBondContact CE1-O 2.91Å; H97-L342 HydrophobicContact CB-CB 4.2Å
98G89.3Confident96.3Very high67 Ų6750 Ų5069%0.69129%0.289SS*.THydrogen-bonded Turntrans68.135.2166.300000114.5S94S94-G98 PolarHBondContact O-N 2.78Å
99G93.5Very high96.3Very high39 Ų3951.6 Ų51.640%0.40230%0.297SS..SBendtrans92.119.2177.700000115S94 H97 K101S94-G99 WeakPolarHBondContact O-CA 2.82Å; S94-G99 PolarHBondContact O-N 2.77Å; H97-G99 PolarHBondContact O-N 3.41Å; G99-K101 WeakPolarHBondContact O-CG 3.48Å; G99-K101 PolarHBondContact O-N 3.48Å; G99-K101 VanDerWaalsContact O-N 3.15Å
100Y96.3Very high96.2Very high14 Ų1452.3 Ų52.36%0.05530%0.301CS..  trans-60.5111.9175.2-169.1-100000111I93 S94 D104 K105 H106 H276 L342 G343I93-Y100 HydrophobicContact CG2-CD1 4.21Å; S94-Y100 VanDerWaalsContact CA-O 3.26Å; S94-Y100 WeakPolarHBondContact CA-O 3.43Å; S94-Y100 VanDerWaalsContact CB-O 3.25Å; S94-Y100 WeakPolarHBondContact CB-O 3.48Å; Y100-D104 HydrophobicContact CD2-CB 3.84Å; Y100-D104 HydrophobicContact CE1-CB 4.21Å; Y100-D104 HydrophobicContact CE2-CB 3.42Å; Y100-D104 VanDerWaalsContact CE2-CB 3.42Å; Y100-D104 HydrophobicContact CG-CB 4.38Å; Y100-D104 PolarHBondContact OH-O 2.6Å; Y100-K105 WeakPolarHBondContact OH-CA 3.46Å; Y100-K105 PolarHBondContact OH-N 2.96Å; Y100-K105 PolarHBondContact OH-O 3.43Å; Y100-H106 WeakPolarHBondContact OH-CA 3.45Å; Y100-H106 PolarHBondContact OH-N 3.45Å; Y100-H276 AromaticContact CE1-CE1 3.43Å; Y100-H276 VanDerWaalsContact CE1-CE1 3.43Å; Y100-H276 WeakPolarHBondContact CE1-CE1 3.42Å; Y100-H276 AromaticContact CE1-ND1 3.8Å; Y100-H276 WeakPolarHBondContact CE1-O 3.4Å; Y100-H276 PolarHBondContact OH-O 3.33Å; Y100-L342 HydrophobicContact CD1-CD2 3.33Å; Y100-L342 HydrophobicContact CD1-CG 3.72Å; Y100-L342 HydrophobicContact CD2-CG 4.18Å; Y100-L342 HydrophobicContact CE1-CD1 3.99Å; Y100-L342 HydrophobicContact CE1-CD2 3.49Å; Y100-L342 VanDerWaalsContact CE1-CD2 3.49Å; Y100-L342 HydrophobicContact CE1-CG 3.62Å; Y100-L342 HydrophobicContact CE2-CG 4.13Å; Y100-L342 HydrophobicContact CG-CD2 3.94Å; Y100-L342 HydrophobicContact CG-CG 3.97Å; Y100-G343 VanDerWaalsContact CE2-CA 3.4Å
101K97.1Very high96.2Very high126 Ų12653.5 Ų53.555%0.54831%0.307SS..  trans-83.8154.5-171.8-56.8174.4-173.51680110.5G99 T103 D104 H276G99-K101 WeakPolarHBondContact O-CG 3.48Å; G99-K101 PolarHBondContact O-N 3.48Å; G99-K101 VanDerWaalsContact O-N 3.15Å; K101-T103 PolarHBondContact O-N 3.41Å; K101-D104 PolarHBondContact N-OD2 2.87Å; K101-D104 WeakPolarHBondContact O-CB 3.16Å; K101-D104 PolarHBondContact O-N 2.67Å; K101-H276 PolarHBondContact O-CE1 2.73Å; K101-H276 VanDerWaalsContact O-CE1 3.24Å
102S95.8Very high96.2Very high73 Ų7353.1 Ų53.151%0.5130%0.301SS..THydrogen-bonded Turntrans-58.9-11.6173.156.70000114.9D90 H276D90-S102 WeakPolarHBondContact OD2-CB 3.43Å; S102-H276 VanDerWaalsContact CA-CE1 3.49Å; S102-H276 WeakPolarHBondContact CA-CE1 3.29Å
103T96.7Very high96.1Very high115 Ų11559.3 Ų59.371%0.70633%0.329SS*.THydrogen-bonded Turntrans-101.3-10.2176.348.40000113.6K101K101-T103 PolarHBondContact O-N 3.41Å
104D97.8Very high96.2Very high58 Ų5862.9 Ų62.931%0.3135%0.349SS..  trans-72.3158.5178-65.3-23.4000110.2Y100 K101 H276Y100-D104 HydrophobicContact CD2-CB 3.84Å; Y100-D104 HydrophobicContact CE1-CB 4.21Å; Y100-D104 HydrophobicContact CE2-CB 3.42Å; Y100-D104 VanDerWaalsContact CE2-CB 3.42Å; Y100-D104 HydrophobicContact CG-CB 4.38Å; Y100-D104 PolarHBondContact OH-O 2.6Å; K101-D104 PolarHBondContact N-OD2 2.87Å; K101-D104 WeakPolarHBondContact O-CB 3.16Å; K101-D104 PolarHBondContact O-N 2.67Å; D104-H276 PolarHBondContact O-ND1 3.22Å
105K98Very high96.2Very high127 Ų12761.2 Ų61.255%0.55234%0.336SS*.  trans-120141.4179.3-69.1-179.5170.3-161.40110.3Y100 E275Y100-K105 WeakPolarHBondContact OH-CA 3.46Å; Y100-K105 PolarHBondContact OH-N 2.96Å; Y100-K105 PolarHBondContact OH-O 3.43Å; K105-E275 HydrophobicContact CB-CG 4.38Å; K105-E275 HydrophobicContact CD-CG 3.93Å; K105-E275 WeakPolarHBondContact CD-OE1 3.41Å; K105-E275 WeakPolarHBondContact CE-OE1 3.24Å; K105-E275 WeakPolarHBondContact CE-OE2 3.5Å; K105-E275 HydrophobicContact CG-CG 4.13Å; K105-E275 IonicContact NZ-OE1 3.97Å; K105-E275 PolarHBondContact NZ-OE1 3.5Å; K105-E275 IonicContact NZ-OE2 3.19Å; K105-E275 PolarHBondContact NZ-OE2 3.42Å
106H98.4Very high96.5Very high16 Ų1665.3 Ų65.37%0.07435%0.351CS..  trans-80141.8-179.4-176.255.8000110.3Y100 E275 G278 G288 T289 L342 G343 S344Y100-H106 WeakPolarHBondContact OH-CA 3.45Å; Y100-H106 PolarHBondContact OH-N 3.45Å; H106-E275 PolarHBondContact N-O 3.2Å; H106-G278 VanDerWaalsContact CD2-CA 3.41Å; H106-G278 WeakPolarHBondContact CD2-CA 3.44Å; H106-G288 VanDerWaalsContact CE1-CA 3.43Å; H106-G288 WeakPolarHBondContact CE1-CA 3.34Å; H106-G288 WeakPolarHBondContact NE2-CA 3.38Å; H106-T289 PolarHBondContact CE1-N 3.04Å; H106-T289 PolarHBondContact NE2-N 3.46Å; H106-L342 HydrophobicContact CB-CD1 4.02Å; H106-G343 PolarHBondContact ND1-N 3.41Å; H106-S344 PolarHBondContact CE1-O 3.5Å; H106-S344 VanDerWaalsContact CE1-O 3.29Å
107K96.4Very high96.7Very high99 Ų9964.5 Ų64.543%0.4336%0.355SS..  trans-107.8128176-173.9-174.9173.8-175.40109.2S345 E348K107-S345 VanDerWaalsContact O-CA 3.26Å; K107-S345 WeakPolarHBondContact O-CA 3.21Å; K107-E348 IonicContact NZ-OE1 3.02Å; K107-E348 PolarHBondContact NZ-OE1 3.34Å
108T97.1Very high96.9Very high56 Ų5664.2 Ų64.234%0.34435%0.354SS..  trans-111.1135.8171.7-62.10000109.1L110 Y279 E346T108-L110 HydrophobicContact CG2-CG 4.35Å; T108-Y279 HydrophobicContact CG2-CE2 4.42Å; T108-E346 WeakPolarHBondContact CA-OE2 3.48Å
109D97.9Very high97.4Very high34 Ų3464.9 Ų64.918%0.18234%0.342CS..  trans-148.695.5172.7-174.74.2000109.1N111 N114 E346 V347D109-N111 VanDerWaalsContact C-N 3.32Å; D109-N111 VanDerWaalsContact OD1-CB 3.23Å; D109-N111 WeakPolarHBondContact OD1-CB 3.3Å; D109-N111 PolarHBondContact OD1-N 3Å; D109-N114 PolarHBondContact OD2-ND2 3.05Å; D109-E346 PolarHBondContact N-OE2 3.41Å; D109-E346 WeakPolarHBondContact O-CB 3.13Å; D109-V347 HydrophobicContact CB-CB 4.4Å; D109-V347 HydrophobicContact CB-CG2 4.25Å; D109-V347 WeakPolarHBondContact O-CG2 3.49Å; D109-V347 PolarHBondContact O-N 2.85Å
110L97.1Very high97.6Very high16 Ų1667.5 Ų67.58%0.08435%0.346CS..  trans-93.215.4173.5-68.8171.6000112.3T108 F112 F253 C254 L257 Q258 E346T108-L110 HydrophobicContact CG2-CG 4.35Å; L110-F112 PolarHBondContact O-N 2.68Å; L110-F112 VanDerWaalsContact O-N 3.13Å; L110-F253 HydrophobicContact CD2-CE1 4.08Å; L110-C254 HydrophobicContact CB-CB 4.44Å; L110-C254 VanDerWaalsContact O-CB 3.31Å; L110-C254 WeakPolarHBondContact O-CB 3.35Å; L110-C254 PolarHBondContact O-SG 3.28Å; L110-L257 HydrophobicContact CD1-CD2 4.16Å; L110-L257 HydrophobicContact CD2-CD2 4.21Å; L110-Q258 HydrophobicContact CD1-CG 4.5Å; L110-E346 HydrophobicContact CD2-CB 4.04Å; L110-E346 HydrophobicContact CD2-CG 3.63Å; L110-E346 HydrophobicContact CG-CG 4.44Å
111N98Very high97.7Very high63 Ų6367.1 Ų67.134%0.33735%0.345SS..  trans-80.191.1171.1-174.95.3000110.2D109 E113 N114 V347D109-N111 VanDerWaalsContact C-N 3.32Å; D109-N111 VanDerWaalsContact OD1-CB 3.23Å; D109-N111 WeakPolarHBondContact OD1-CB 3.3Å; D109-N111 PolarHBondContact OD1-N 3Å; N111-E113 PolarHBondContact O-N 3.05Å; N111-E113 WeakPolarHBondContact OD1-CB 3.44Å; N111-E113 PolarHBondContact OD1-N 2.86Å; N111-N114 WeakPolarHBondContact O-CB 2.96Å; N111-N114 PolarHBondContact O-N 2.9Å; N111-N114 VanDerWaalsContact O-N 3.08Å; N111-V347 VanDerWaalsContact O-CG2 3.24Å; N111-V347 WeakPolarHBondContact O-CG2 3.09Å
112F97.3Very high97.8Very high48 Ų4862.8 Ų62.821%0.21133%0.328CS..G310 helixtrans-59-19.7-178.871.1-92.9000113.9L110 N114 L115 F250 R251 C254 V255L110-F112 PolarHBondContact O-N 2.68Å; L110-F112 VanDerWaalsContact O-N 3.13Å; F112-N114 PolarHBondContact O-N 2.78Å; F112-L115 WeakPolarHBondContact O-CB 3.24Å; F112-L115 PolarHBondContact O-N 2.98Å; F112-F250 HydrophobicContact CB-CD1 3.83Å; F112-F250 HydrophobicContact CB-CE1 4.06Å; F112-R251 HydrophobicContact CD1-CB 4.39Å; F112-R251 HydrophobicContact CD1-CG 4.03Å; F112-R251 HydrophobicContact CD2-CB 3.7Å; F112-R251 HydrophobicContact CD2-CG 3.7Å; F112-R251 HydrophobicContact CE1-CG 3.84Å; F112-R251 HydrophobicContact CE2-CB 4.05Å; F112-R251 HydrophobicContact CE2-CG 3.53Å; F112-R251 HydrophobicContact CG-CB 3.92Å; F112-R251 HydrophobicContact CG-CG 3.98Å; F112-R251 HydrophobicContact CZ-CG 3.62Å; F112-C254 HydrophobicContact CB-CB 4.23Å; F112-C254 HydrophobicContact CD1-CB 4.2Å; F112-V255 HydrophobicContact CD1-CG2 4.32Å; F112-V255 HydrophobicContact CE1-CG2 3.93Å
113E98.1Very high97.8Very high129 Ų12963.5 Ų63.560%0.60333%0.331SS*.G310 helixtrans-65.8-25178.2-60-174153.100112.2N111 L115N111-E113 PolarHBondContact O-N 3.05Å; N111-E113 WeakPolarHBondContact OD1-CB 3.44Å; N111-E113 PolarHBondContact OD1-N 2.86Å; E113-L115 PolarHBondContact O-N 2.97Å
114N98.6Very high97.9Very high78 Ų7863.3 Ų63.342%0.41733%0.326SS..G310 helixtrans-70.9-13.8177-68.2-18.3000113.1D109 N111 F112 K116 V347D109-N114 PolarHBondContact OD2-ND2 3.05Å; N111-N114 WeakPolarHBondContact O-CB 2.96Å; N111-N114 PolarHBondContact O-N 2.9Å; N111-N114 VanDerWaalsContact O-N 3.08Å; F112-N114 PolarHBondContact O-N 2.78Å; N114-K116 PolarHBondContact O-N 3.42Å; N114-V347 HydrophobicContact CB-CG1 3.78Å; N114-V347 HydrophobicContact CB-CG2 4.06Å
115L98.6Very high97.9Very high2 Ų261.9 Ų61.91%0.0132%0.316CS..  trans-70.6126.8175.5-174.269.9000110.6F112 E113 R247 F250 V350 Q351 V354F112-L115 WeakPolarHBondContact O-CB 3.24Å; F112-L115 PolarHBondContact O-N 2.98Å; E113-L115 PolarHBondContact O-N 2.97Å; L115-R247 HydrophobicContact CD2-CB 4.18Å; L115-R247 HydrophobicContact CD2-CG 4.22Å; L115-F250 HydrophobicContact CB-CD1 4.31Å; L115-F250 HydrophobicContact CD2-CB 4.38Å; L115-F250 HydrophobicContact CD2-CD1 3.98Å; L115-V350 HydrophobicContact CD1-CB 4.21Å; L115-V350 HydrophobicContact CD1-CG1 3.83Å; L115-V350 HydrophobicContact CD2-CG1 3.86Å; L115-Q351 HydrophobicContact CD1-CB 4.05Å; L115-V354 HydrophobicContact CD1-CG2 4.44Å
116K98.6Very high97.9Very high165 Ų16555.8 Ų55.872%0.71729%0.29SS*.  trans-96.9116.7179.6-60.4179.5-178.2176.20110.5N114 Q351N114-K116 PolarHBondContact O-N 3.42Å; K116-Q351 PolarHBondContact O-NE2 3.34Å; K116-Q351 VanDerWaalsContact O-NE2 3.09Å; K116-Q351 PolarHBondContact O-OE1 3.23Å
117G97.9Very high97.8Very high24 Ų2458.1 Ų58.125%0.24730%0.302CS..SBendtrans66.8-147.2-177.400000112.3D119G117-D119 VanDerWaalsContact C-OD1 3.32Å; G117-D119 WeakPolarHBondContact CA-OD1 3.35Å; G117-D119 PolarHBondContact O-N 3.41Å
118G97.5Very high97.8Very high0 Ų054 Ų540%029%0.286CS..  trans81.52.6179.100000113.7D120 N245 M246 R247G118-D120 VanDerWaalsContact C-N 3.32Å; G118-N245 CarbonylContact O-C 3.57Å; G118-M246 WeakPolarHBondContact O-CA 3.43Å; G118-M246 WeakPolarHBondContact O-CB 3.44Å; G118-M246 PolarHBondContact O-N 2.93Å; G118-R247 PolarHBondContact O-N 2.81Å
119D98.2Very high97.8Very high81 Ų8151.3 Ų51.343%0.43327%0.269SS..SBendtrans-84.5-7.2171.550.3-34.4000113.2G117 N245 R247G117-D119 VanDerWaalsContact C-OD1 3.32Å; G117-D119 WeakPolarHBondContact CA-OD1 3.35Å; G117-D119 PolarHBondContact O-N 3.41Å; D119-N245 WeakPolarHBondContact CA-OD1 3.48Å; D119-R247 HydrophobicContact CB-CB 4.05Å
120D98.2Very high97.8Very high94 Ų9452.5 Ų52.550%0.50327%0.271SS..  trans-133.319.4-164.767.4-28.7000114.1G118 D122 K358G118-D120 VanDerWaalsContact C-N 3.32Å; D120-D122 PolarHBondContact O-N 3.32Å; D120-K358 VanDerWaalsContact CG-NZ 3.26Å; D120-K358 WeakPolarHBondContact OD1-CE 3.34Å; D120-K358 IonicContact OD1-NZ 2.98Å; D120-K358 PolarHBondContact OD1-NZ 3.24Å; D120-K358 IonicContact OD2-NZ 2.73Å; D120-K358 PolarHBondContact OD2-NZ 2.95Å
121L98.6Very high97.9Very high6 Ų651.8 Ų51.83%0.03127%0.267CS..  trans-59.5131.3175.5-54174.1000109.3P123 V126 G244 M246 V295 V354 V357 K358L121-P123 VanDerWaalsContact O-CD 3.3Å; L121-P123 WeakPolarHBondContact O-CD 3.3Å; L121-V126 HydrophobicContact CB-CB 4.38Å; L121-V126 HydrophobicContact CB-CG2 3.98Å; L121-G244 VanDerWaalsContact CB-O 3.23Å; L121-G244 WeakPolarHBondContact CB-O 3.38Å; L121-G244 VanDerWaalsContact CG-O 3.31Å; L121-G244 WeakPolarHBondContact CG-O 2.82Å; L121-G244 PolarHBondContact N-O 3.28Å; L121-G244 WeakPolarHBondContact O-CA 3.47Å; L121-M246 HydrophobicContact CD1-CB 4.05Å; L121-V295 HydrophobicContact CD1-CG1 4.09Å; L121-V354 HydrophobicContact CD2-CG1 4.42Å; L121-V357 HydrophobicContact CD1-CG1 4.25Å; L121-V357 HydrophobicContact CD2-CG1 4.3Å; L121-K358 HydrophobicContact CD2-CD 4.31Å; L121-K358 HydrophobicContact CD2-CG 3.51Å
122D98.4Very high97.9Very high35 Ų3550.3 Ų50.319%0.18726%0.257CS..  trans-59.4112.8-167.9-170.5-26.6000111.6D120 N124 Y125 V126 V361 K365D120-D122 PolarHBondContact O-N 3.32Å; D122-N124 PolarHBondContact O-N 2.78Å; D122-N124 VanDerWaalsContact O-N 3.15Å; D122-N124 VanDerWaalsContact OD1-CB 3.22Å; D122-N124 WeakPolarHBondContact OD1-CB 3.31Å; D122-N124 PolarHBondContact OD1-N 3.28Å; D122-N124 PolarHBondContact OD1-ND2 3.08Å; D122-Y125 HydrophobicContact CB-CD2 4.05Å; D122-Y125 PolarHBondContact O-N 3.04Å; D122-V126 PolarHBondContact O-N 2.88Å; D122-V361 HydrophobicContact CB-CG1 4.12Å; D122-K365 WeakPolarHBondContact OD2-CE 3.32Å; D122-K365 IonicContact OD2-NZ 2.69Å; D122-K365 PolarHBondContact OD2-NZ 3.04Å
123P97.3Very high97.9Very high87 Ų8748 Ų4857%0.56525%0.247SC*.THydrogen-bonded Turntrans-69.2-12.7-175.729.6-35.8000113L121 Y125L121-P123 VanDerWaalsContact O-CD 3.3Å; L121-P123 WeakPolarHBondContact O-CD 3.3Å; P123-Y125 PolarHBondContact O-N 3.3Å
124N97.5Very high97.9Very high112 Ų11241.9 Ų41.960%0.59922%0.218SC*.THydrogen-bonded Turntrans-69.1-23.1171-62.6-56.3000112D122 K298D122-N124 PolarHBondContact O-N 2.78Å; D122-N124 VanDerWaalsContact O-N 3.15Å; D122-N124 VanDerWaalsContact OD1-CB 3.22Å; D122-N124 WeakPolarHBondContact OD1-CB 3.31Å; D122-N124 PolarHBondContact OD1-N 3.28Å; D122-N124 PolarHBondContact OD1-ND2 3.08Å; N124-K298 WeakPolarHBondContact O-CE 3.2Å; N124-K298 PolarHBondContact O-NZ 3.4Å
125Y98.1Very high97.9Very high27 Ų2738.1 Ų38.111%0.10620%0.199CC..THydrogen-bonded Turntrans-111.3-45.1178.7-61.2-95.7000111.1D122 P123 L127 V297 K298 V361 E364 K365 E368D122-Y125 HydrophobicContact CB-CD2 4.05Å; D122-Y125 PolarHBondContact O-N 3.04Å; P123-Y125 PolarHBondContact O-N 3.3Å; Y125-L127 PolarHBondContact O-N 2.63Å; Y125-V297 WeakPolarHBondContact O-CA 3.32Å; Y125-K298 WeakPolarHBondContact CD1-O 3.45Å; Y125-K298 PolarHBondContact O-N 2.98Å; Y125-V361 HydrophobicContact CD1-CG1 4.49Å; Y125-V361 HydrophobicContact CD2-CG1 3.68Å; Y125-V361 HydrophobicContact CE2-CG1 4.18Å; Y125-V361 HydrophobicContact CG-CG1 3.87Å; Y125-V361 HydrophobicContact CG-CG2 4.3Å; Y125-E364 HydrophobicContact CD1-CG 3.96Å; Y125-E364 HydrophobicContact CE1-CB 4.29Å; Y125-E364 HydrophobicContact CE1-CG 3.64Å; Y125-K365 HydrophobicContact CE1-CG 4.5Å; Y125-K365 HydrophobicContact CE2-CD 4.32Å; Y125-K365 HydrophobicContact CE2-CG 4.01Å; Y125-K365 VanDerWaalsContact OH-CG 3.25Å; Y125-K365 WeakPolarHBondContact OH-CG 3.24Å; Y125-E368 WeakPolarHBondContact CE1-OE1 3.41Å; Y125-E368 PolarHBondContact OH-OE2 2.93Å
126V98.1Very high97.9Very high0 Ų038.1 Ų38.10%020%0.198CC..EExtended strand (participates in β ladder)trans-85.7104.9-179.5178.80000110.9L121 D122 V295 H296 V297 V357L121-V126 HydrophobicContact CB-CB 4.38Å; L121-V126 HydrophobicContact CB-CG2 3.98Å; D122-V126 PolarHBondContact O-N 2.88Å; V126-V295 HydrophobicContact CG1-CB 3.91Å; V126-V295 HydrophobicContact CG1-CG1 3.76Å; V126-H296 CarbonylContact C-O 3.57Å; V126-H296 WeakPolarHBondContact CA-O 3.46Å; V126-V297 HydrophobicContact CG2-CB 4.42Å; V126-V297 HydrophobicContact CG2-CG2 4.1Å; V126-V357 HydrophobicContact CG2-CG1 3.86Å
127L96.3Very high97.9Very high64 Ų6430.2 Ų30.234%0.33516%0.164SC..EExtended strand (participates in β ladder)trans-78-34.3-176.7-55.5-178.4000112.6Y125 G243 H296 K298 V333Y125-L127 PolarHBondContact O-N 2.63Å; L127-G243 PolarHBondContact O-N 3.13Å; L127-H296 HydrophobicContact CB-CB 4.17Å; L127-H296 PolarHBondContact N-O 3.21Å; L127-K298 HydrophobicContact CD1-CG 4.27Å; L127-K298 HydrophobicContact CD2-CD 4.13Å; L127-K298 HydrophobicContact CD2-CG 4.4Å; L127-K298 HydrophobicContact CG-CG 4.4Å; L127-V333 HydrophobicContact CD1-CG1 3.93Å; L127-V333 HydrophobicContact CD1-CG2 4.01Å
128S96.3Very high97.7Very high13 Ų1334 Ų349%0.09117%0.174CC..EExtended strand (participates in β ladder)trans-159.3151.1178.354.70000111.2Q241 G243 V295 H296S128-Q241 VanDerWaalsContact CA-O 3.3Å; S128-Q241 WeakPolarHBondContact CA-O 3.35Å; S128-Q241 VanDerWaalsContact CB-O 3.32Å; S128-Q241 WeakPolarHBondContact CB-O 3.27Å; S128-G243 CarbonylContact C-O 3.56Å; S128-V295 CarbonylContact O-C 3.48Å; S128-V295 VanDerWaalsContact O-CA 3.24Å; S128-V295 WeakPolarHBondContact O-CA 3.3Å; S128-H296 PolarHBondContact O-N 3.09Å
129S98.1Very high97.6Very high0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-118.9139.5176.4-60.50000109.5M240 Q241 G243S129-M240 VanDerWaalsContact O-CA 3.28Å; S129-M240 WeakPolarHBondContact O-CA 3.43Å; S129-Q241 PolarHBondContact N-O 3.23Å; S129-Q241 PolarHBondContact O-N 3.28Å; S129-G243 PolarHBondContact N-O 3.08Å; S129-G243 PolarHBondContact OG-O 2.81Å
130R98Very high97.5Very high59 Ų5935.6 Ų35.622%0.22320%0.196CC..EExtended strand (participates in β ladder)trans-146.3138.9-177.4176.8172.9-178.8-135.69111.4I238 S239 M240 G293 G294R130-I238 HydrophobicContact CG-CG2 4.08Å; R130-S239 CarbonylContact C-O 3.51Å; R130-S239 WeakPolarHBondContact CA-O 3.28Å; R130-M240 HydrophobicContact CB-CB 3.9Å; R130-M240 HydrophobicContact CG-CB 3.96Å; R130-G293 CarbonylContact O-C 3.51Å; R130-G293 WeakPolarHBondContact O-CA 3.46Å; R130-G294 PolarHBondContact N-O 2.93Å; R130-G294 PolarHBondContact O-N 2.85Å
131V98.5Very high97.6Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-123.8130.1167.5-177.90000108.1I238 S239 M246 V249 F250 F253 L291 V350V131-I238 CarbonylContact O-C 3.5Å; V131-I238 WeakPolarHBondContact O-CA 3.35Å; V131-S239 PolarHBondContact N-O 2.89Å; V131-S239 PolarHBondContact O-N 2.82Å; V131-M246 HydrophobicContact CG2-SD 3.59Å; V131-M246 VanDerWaalsContact CG2-SD 3.59Å; V131-V249 HydrophobicContact CB-CG1 4.19Å; V131-V249 HydrophobicContact CG2-CG1 3.87Å; V131-F250 HydrophobicContact CG1-CD2 4.26Å; V131-F250 HydrophobicContact CG2-CB 4.45Å; V131-F250 HydrophobicContact CG2-CD2 4.33Å; V131-F253 HydrophobicContact CB-CB 4.29Å; V131-F253 HydrophobicContact CB-CD2 4.16Å; V131-F253 HydrophobicContact CB-CG 4.11Å; V131-F253 HydrophobicContact CG1-CB 4.31Å; V131-F253 HydrophobicContact CG1-CD1 3.76Å; V131-F253 HydrophobicContact CG1-CD2 3.75Å; V131-F253 HydrophobicContact CG1-CE1 3.95Å; V131-F253 HydrophobicContact CG1-CE2 3.93Å; V131-F253 HydrophobicContact CG1-CG 3.66Å; V131-F253 HydrophobicContact CG1-CZ 4.02Å; V131-L291 HydrophobicContact CG1-CD1 3.65Å; V131-L291 HydrophobicContact CG1-CD2 4.36Å; V131-L291 HydrophobicContact CG1-CG 3.83Å; V131-V350 HydrophobicContact CG2-CG2 4.4Å
132R97.5Very high97.6Very high32 Ų3231.4 Ų31.412%0.12117%0.174CC..EExtended strand (participates in β ladder)trans-132.6153.4175.270.2-179.9-167.8176.43.6111.6V237 I238 L291 R292R132-V237 CarbonylContact C-O 3.54Å; R132-V237 WeakPolarHBondContact CA-O 3.49Å; R132-I238 HydrophobicContact CB-CB 4.45Å; R132-I238 HydrophobicContact CB-CG1 3.79Å; R132-L291 CarbonylContact O-C 3.08Å; R132-L291 VanDerWaalsContact O-CA 3.24Å; R132-L291 WeakPolarHBondContact O-CA 3.17Å; R132-R292 HydrophobicContact CG-CB 3.84Å; R132-R292 PolarHBondContact N-O 2.94Å; R132-R292 PolarHBondContact O-N 3.04Å
133T98.4Very high97.6Very high0 Ų029.8 Ų29.80%017%0.166CC..EExtended strand (participates in β ladder)trans-141.6174.8165.2-167.80000111.2R135 R236 V237 F253 L257 T289 G290T133-R135 PolarHBondContact OG1-NH1 2.98Å; T133-R236 CarbonylContact O-C 3.58Å; T133-R236 VanDerWaalsContact O-CA 3.3Å; T133-R236 WeakPolarHBondContact O-CA 3.46Å; T133-V237 HydrophobicContact CG2-CB 4.34Å; T133-V237 PolarHBondContact N-O 2.91Å; T133-V237 PolarHBondContact O-N 3.16Å; T133-F253 HydrophobicContact CG2-CE2 3.74Å; T133-F253 HydrophobicContact CG2-CZ 3.47Å; T133-F253 VanDerWaalsContact CG2-CZ 3.47Å; T133-L257 HydrophobicContact CG2-CD1 4.23Å; T133-L257 HydrophobicContact CG2-CD2 3.87Å; T133-T289 PolarHBondContact OG1-O 3.19Å; T133-G290 WeakPolarHBondContact CA-O 3.24Å; T133-G290 VanDerWaalsContact OG1-C 3.24Å; T133-G290 WeakPolarHBondContact OG1-CA 3.47Å; T133-G290 PolarHBondContact OG1-O 2.88Å
134G98.2Very high97.6Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-110.4155.8164.600000112L235G134-L235 CarbonylContact C-O 3.53Å; G134-L235 WeakPolarHBondContact CA-O 3.37Å
135R98.4Very high97.6Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-136.8137.1165.7-66.5-65.9-179.6-102.112.8110.1T133 L235 L257 F271 Y279 T289T133-R135 PolarHBondContact OG1-NH1 2.98Å; R135-L235 HydrophobicContact CB-CB 4.36Å; R135-L235 HydrophobicContact CB-CD1 4.43Å; R135-L235 PolarHBondContact N-O 2.84Å; R135-L235 PolarHBondContact O-N 3.03Å; R135-L257 HydrophobicContact CG-CD1 4.08Å; R135-F271 HydrophobicContact CB-CD1 3.79Å; R135-F271 HydrophobicContact CB-CD2 4.26Å; R135-F271 HydrophobicContact CB-CE1 3.69Å; R135-F271 HydrophobicContact CB-CE2 4.13Å; R135-F271 HydrophobicContact CB-CG 4.09Å; R135-F271 HydrophobicContact CB-CZ 3.85Å; R135-F271 HydrophobicContact CG-CD1 4.4Å; R135-F271 HydrophobicContact CG-CD2 3.97Å; R135-F271 HydrophobicContact CG-CE1 4.25Å; R135-F271 HydrophobicContact CG-CE2 3.76Å; R135-F271 HydrophobicContact CG-CG 4.28Å; R135-F271 HydrophobicContact CG-CZ 3.91Å; R135-Y279 VanDerWaalsContact CD-CD1 3.46Å; R135-Y279 VanDerWaalsContact CZ-CD2 3.44Å; R135-Y279 VanDerWaalsContact CZ-CE2 3.49Å; R135-Y279 VanDerWaalsContact NH2-CD2 3.33Å; R135-T289 PolarHBondContact NH1-O 3.45Å
136S98.5Very high97.6Very high1 Ų121 Ų211%0.00712%0.115CC..  trans-106.7137.6171.7-540000109.8L142 F271 M272 I280 L281S136-L142 VanDerWaalsContact OG-CD2 3.28Å; S136-L142 WeakPolarHBondContact OG-CD2 3.44Å; S136-F271 CarbonylContact O-C 3.51Å; S136-F271 WeakPolarHBondContact O-CA 3.33Å; S136-F271 WeakPolarHBondContact O-CD1 3.45Å; S136-M272 WeakPolarHBondContact CB-SD 3.25Å; S136-M272 PolarHBondContact O-N 2.91Å; S136-I280 VanDerWaalsContact CB-O 3.24Å; S136-I280 WeakPolarHBondContact CB-O 3.33Å; S136-I280 PolarHBondContact OG-O 3.01Å; S136-L281 WeakPolarHBondContact OG-CD2 3.14Å
137I96.9Very high97.6Very high0 Ų023.6 Ų23.60%013%0.133CC..BIsolated β-bridgetrans-87.6123.1-179.6-55.2165.6000108.4Y140 I154 H234 F264 H269 M272I137-Y140 HydrophobicContact CB-CD2 4.1Å; I137-Y140 HydrophobicContact CG2-CD2 3.78Å; I137-Y140 HydrophobicContact CG2-CE2 3.96Å; I137-Y140 PolarHBondContact O-N 2.78Å; I137-I154 HydrophobicContact CD1-CB 4.33Å; I137-I154 HydrophobicContact CD1-CG1 4.27Å; I137-I154 HydrophobicContact CD1-CG2 3.82Å; I137-H234 HydrophobicContact CD1-CB 4.49Å; I137-H234 HydrophobicContact CG1-CB 4.4Å; I137-H234 PolarHBondContact N-ND1 3.26Å; I137-F264 HydrophobicContact CD1-CD1 4.45Å; I137-F264 HydrophobicContact CD1-CE1 3.51Å; I137-F264 HydrophobicContact CD1-CZ 3.93Å; I137-F264 HydrophobicContact CG1-CD1 4.35Å; I137-F264 HydrophobicContact CG1-CE1 3.82Å; I137-F264 HydrophobicContact CG1-CZ 4.33Å; I137-F264 HydrophobicContact CG2-CE1 4.49Å; I137-H269 HydrophobicContact CG2-CB 3.96Å; I137-M272 WeakPolarHBondContact O-CE 3.4Å
138K95.3Very high97.7Very high102 Ų10227.1 Ų27.144%0.44314%0.142SC..THydrogen-bonded Turntrans-61.8140.6-177.7-170.4176.2-171.7770111.2E79 G270 M272E79-K138 VanDerWaalsContact CD-NZ 3.28Å; E79-K138 IonicContact OE1-NZ 3.85Å; E79-K138 PolarHBondContact OE1-NZ 3.42Å; E79-K138 IonicContact OE2-NZ 3.29Å; E79-K138 PolarHBondContact OE2-NZ 3.44Å; K138-G270 VanDerWaalsContact CB-O 3.25Å; K138-G270 WeakPolarHBondContact CB-O 3.46Å; K138-G270 PolarHBondContact N-O 2.81Å; K138-M272 HydrophobicContact CB-CG 4.21Å
139G94.2Very high97.8Very high72 Ų7228.7 Ų28.774%0.74216%0.161SC*.THydrogen-bonded Turntrans873-18000000115.3
140Y97.6Very high97.8Very high44 Ų4431 Ų3117%0.17317%0.171CC..SBendtrans-118.2142.8170.9-64.7-84.4000109.9I137 E150 A153 I154 L157 H269 M272I137-Y140 HydrophobicContact CB-CD2 4.1Å; I137-Y140 HydrophobicContact CG2-CD2 3.78Å; I137-Y140 HydrophobicContact CG2-CE2 3.96Å; I137-Y140 PolarHBondContact O-N 2.78Å; Y140-E150 HydrophobicContact CD1-CB 4.06Å; Y140-E150 HydrophobicContact CD1-CG 4.15Å; Y140-A153 HydrophobicContact CE1-CB 3.58Å; Y140-I154 HydrophobicContact CD1-CD1 4.37Å; Y140-I154 HydrophobicContact CD1-CG1 4.03Å; Y140-I154 HydrophobicContact CD2-CG1 4.18Å; Y140-I154 HydrophobicContact CG-CD1 4.14Å; Y140-I154 HydrophobicContact CG-CG1 3.82Å; Y140-L157 HydrophobicContact CE2-CD1 3.79Å; Y140-L157 WeakPolarHBondContact OH-CD1 3.5Å; Y140-H269 AromaticContact CE2-ND1 3.99Å; Y140-M272 WeakPolarHBondContact O-CE 3.15Å
141T98.6Very high97.8Very high11 Ų1128.2 Ų28.27%0.06716%0.161CC..  trans-66.5155.3170.856.60000111.2S49 G77 D78 N146 E150 H234S49-T141 VanDerWaalsContact CB-CG2 3.49Å; G77-T141 CarbonylContact O-C 3.59Å; G77-T141 WeakPolarHBondContact O-CA 3.43Å; G77-T141 WeakPolarHBondContact O-CB 3.49Å; D78-T141 HydrophobicContact CB-CG2 4.21Å; T141-N146 WeakPolarHBondContact O-CB 3.31Å; T141-N146 WeakPolarHBondContact OG1-CA 3.41Å; T141-N146 WeakPolarHBondContact OG1-CB 3.42Å; T141-N146 PolarHBondContact OG1-N 2.95Å; T141-E150 WeakPolarHBondContact CB-OE1 3.38Å; T141-E150 WeakPolarHBondContact CG2-OE1 3.17Å; T141-E150 PolarHBondContact N-OE1 2.69Å; T141-E150 PolarHBondContact OG1-OE1 3.36Å; T141-E150 PolarHBondContact OG1-OE2 3.49Å; T141-H234 PolarHBondContact O-CE1 3.44Å; T141-H234 PolarHBondContact O-NE2 2.91Å
142L98.8Very high97.8Very high0 Ų034 Ų340%018%0.182CC..  trans-77.8162.9-178.6-62.4175.1000111.7A76 G77 S136 P144 H145 N146 M272A76-L142 HydrophobicContact CB-CD1 3.78Å; A76-L142 WeakPolarHBondContact O-CD1 3.36Å; G77-L142 PolarHBondContact O-N 3.23Å; S136-L142 VanDerWaalsContact OG-CD2 3.28Å; S136-L142 WeakPolarHBondContact OG-CD2 3.44Å; L142-P144 VanDerWaalsContact C-N 3.32Å; L142-P144 WeakPolarHBondContact O-CD 3.49Å; L142-P144 VanDerWaalsContact O-N 3.09Å; L142-H145 PolarHBondContact O-N 3.33Å; L142-N146 PolarHBondContact O-N 2.9Å; L142-M272 HydrophobicContact CD2-CE 4.14Å; L142-M272 HydrophobicContact CD2-SD 3.95Å
143P98.3Very high97.8Very high1 Ų134 Ų341%0.00619%0.19CC..THydrogen-bonded Turntrans-49.8-33.2-176-30.738000117.7H145 M207 R209 T282P143-H145 PolarHBondContact O-N 3.48Å; P143-M207 HydrophobicContact CB-CB 4.36Å; P143-M207 HydrophobicContact CB-CE 4.15Å; P143-M207 HydrophobicContact CB-CG 4.21Å; P143-R209 PolarHBondContact O-NH2 2.98Å; P143-T282 WeakPolarHBondContact CD-OG1 3.36Å
144P97.9Very high97.7Very high7 Ų734 Ų345%0.04519%0.19CC..THydrogen-bonded Turntrans-56.7-35.8173.7-29.839000113Y51 V75 A76 L142 A205 M207 R209 T282Y51-P144 HydrophobicContact CE2-CB 4.23Å; Y51-P144 VanDerWaalsContact OH-CB 3.3Å; Y51-P144 WeakPolarHBondContact OH-CB 3.11Å; V75-P144 HydrophobicContact CB-CG 4.08Å; V75-P144 HydrophobicContact CG2-CB 4.19Å; V75-P144 HydrophobicContact CG2-CG 3.89Å; A76-P144 WeakPolarHBondContact O-CG 3.5Å; L142-P144 VanDerWaalsContact C-N 3.32Å; L142-P144 WeakPolarHBondContact O-CD 3.49Å; L142-P144 VanDerWaalsContact O-N 3.09Å; P144-A205 WeakPolarHBondContact CA-O 3.37Å; P144-A205 VanDerWaalsContact CB-O 3.32Å; P144-A205 WeakPolarHBondContact CB-O 3.2Å; P144-M207 HydrophobicContact CB-CG 4.28Å; P144-M207 HydrophobicContact CG-CG 3.76Å; P144-M207 HydrophobicContact CG-SD 4.07Å; P144-R209 VanDerWaalsContact C-NH2 3.32Å; P144-R209 PolarHBondContact O-NH2 3.19Å; P144-T282 HydrophobicContact CG-CG2 3.37Å
145H97.9Very high97.7Very high35 Ų3535.2 Ų35.216%0.16220%0.195CC..THydrogen-bonded Turntrans-115-21.6-169.1-161.541.7000114.6S49 Y51 L142 P143 S147 R209S49-H145 PolarHBondContact O-NE2 2.74Å; S49-H145 PolarHBondContact OG-CD2 3Å; S49-H145 PolarHBondContact OG-NE2 2.95Å; Y51-H145 HydrophobicContact CD2-CB 3.59Å; Y51-H145 AromaticContact CD2-CD2 3.84Å; Y51-H145 AromaticContact CD2-CG 3.42Å; Y51-H145 VanDerWaalsContact CD2-CG 3.42Å; Y51-H145 AromaticContact CD2-ND1 3.61Å; Y51-H145 HydrophobicContact CE2-CB 3.7Å; Y51-H145 AromaticContact CE2-CG 3.97Å; L142-H145 PolarHBondContact O-N 3.33Å; P143-H145 PolarHBondContact O-N 3.48Å; H145-S147 PolarHBondContact O-N 2.84Å; H145-R209 VanDerWaalsContact C-NH2 3.26Å; H145-R209 PolarHBondContact O-NH2 3.45Å
146N97.1Very high97.6Very high1 Ų142.2 Ų42.21%0.00523%0.226CC..  trans-57.7133.9-171.371.217.8000114.6T141 L142 E150 R151 R209T141-N146 WeakPolarHBondContact O-CB 3.31Å; T141-N146 WeakPolarHBondContact OG1-CA 3.41Å; T141-N146 WeakPolarHBondContact OG1-CB 3.42Å; T141-N146 PolarHBondContact OG1-N 2.95Å; L142-N146 PolarHBondContact O-N 2.9Å; N146-E150 HydrophobicContact CB-CB 4.2Å; N146-R151 PolarHBondContact O-NH2 3.3Å; N146-R151 VanDerWaalsContact O-NH2 3.13Å; N146-R151 VanDerWaalsContact OD1-CZ 3.28Å; N146-R151 PolarHBondContact OD1-NE 3.48Å; N146-R151 PolarHBondContact OD1-NH2 3.24Å; N146-R209 PolarHBondContact O-NH1 3.29Å; N146-R209 PolarHBondContact O-NH2 2.9Å; N146-R209 VanDerWaalsContact O-NH2 3.08Å
147S97.9Very high97.4Very high53 Ų5343.3 Ų43.337%0.37123%0.231SC..  trans-69.5163.8174.164.70000110.7H145 G149 E150 R151H145-S147 PolarHBondContact O-N 2.84Å; S147-G149 PolarHBondContact O-N 2.98Å; S147-E150 WeakPolarHBondContact CB-OE2 3.48Å; S147-E150 PolarHBondContact N-OE2 2.75Å; S147-E150 PolarHBondContact O-N 2.72Å; S147-E150 WeakPolarHBondContact OG-CG 3.43Å; S147-E150 PolarHBondContact OG-N 2.77Å; S147-E150 VanDerWaalsContact OG-N 3.14Å; S147-E150 PolarHBondContact OG-OE2 3.17Å; S147-R151 WeakPolarHBondContact O-CB 3.41Å; S147-R151 PolarHBondContact O-N 3.08Å
148R98.5Very high97.3Very high138 Ų13843.3 Ų43.352%0.52123%0.231SC..Hα-helixtrans-53.9-37.6169.9-73.2-176.4-71.7-870.4111.7R152 D210R148-R152 WeakPolarHBondContact O-CB 3.13Å; R148-R152 VanDerWaalsContact O-CD 3.26Å; R148-R152 WeakPolarHBondContact O-CD 3.06Å; R148-R152 WeakPolarHBondContact O-CG 3.36Å; R148-R152 PolarHBondContact O-N 3.45Å; R148-R152 VanDerWaalsContact O-N 3.1Å; R148-D210 WeakPolarHBondContact CD-OD1 3.15Å; R148-D210 HydrophobicContact CG-CB 4.03Å; R148-D210 VanDerWaalsContact CG-OD2 3.32Å; R148-D210 WeakPolarHBondContact CG-OD2 3.3Å; R148-D210 IonicContact CZ-OD1 3.24Å; R148-D210 IonicContact NE-OD1 2.89Å; R148-D210 IonicContact NH1-OD1 3.59Å; R148-D210 PolarHBondContact NH1-OD1 3.35Å
149G98.5Very high97.3Very high47 Ų4740.1 Ų40.149%0.48522%0.22SC..Hα-helixtrans-65.3-51.7179.700000112.6S147 R151 R152 A153S147-G149 PolarHBondContact O-N 2.98Å; G149-R151 VanDerWaalsContact C-N 3.35Å; G149-R151 PolarHBondContact O-N 2.9Å; G149-R152 PolarHBondContact O-N 2.95Å; G149-A153 PolarHBondContact O-N 3.2Å
150E98.2Very high97.2Very high47 Ų4741 Ų4122%0.2221%0.205CC..Hα-helixtrans-60.8-44.1177.2-72.9165.998.800111.7Y140 T141 N146 S147 R152 A153 I154Y140-E150 HydrophobicContact CD1-CB 4.06Å; Y140-E150 HydrophobicContact CD1-CG 4.15Å; T141-E150 WeakPolarHBondContact CB-OE1 3.38Å; T141-E150 WeakPolarHBondContact CG2-OE1 3.17Å; T141-E150 PolarHBondContact N-OE1 2.69Å; T141-E150 PolarHBondContact OG1-OE1 3.36Å; T141-E150 PolarHBondContact OG1-OE2 3.49Å; N146-E150 HydrophobicContact CB-CB 4.2Å; S147-E150 WeakPolarHBondContact CB-OE2 3.48Å; S147-E150 PolarHBondContact N-OE2 2.75Å; S147-E150 PolarHBondContact O-N 2.72Å; S147-E150 WeakPolarHBondContact OG-CG 3.43Å; S147-E150 PolarHBondContact OG-N 2.77Å; S147-E150 VanDerWaalsContact OG-N 3.14Å; S147-E150 PolarHBondContact OG-OE2 3.17Å; E150-R152 VanDerWaalsContact C-N 3.34Å; E150-R152 PolarHBondContact O-N 2.66Å; E150-A153 WeakPolarHBondContact O-CB 2.8Å; E150-A153 PolarHBondContact O-N 2.83Å; E150-A153 VanDerWaalsContact O-N 3.1Å; E150-I154 WeakPolarHBondContact O-CG1 3.36Å; E150-I154 PolarHBondContact O-N 3.27Å
151R98.6Very high96.9Very high1 Ų139 Ų390%0.00420%0.198CC..Hα-helixtrans-59.6-42.8178.8-163.8-176.8-59.6128.94.3112.6N146 S147 G149 I154 E155 R209 D210 D213 A214 N230N146-R151 PolarHBondContact O-NH2 3.3Å; N146-R151 VanDerWaalsContact O-NH2 3.13Å; N146-R151 VanDerWaalsContact OD1-CZ 3.28Å; N146-R151 PolarHBondContact OD1-NE 3.48Å; N146-R151 PolarHBondContact OD1-NH2 3.24Å; S147-R151 WeakPolarHBondContact O-CB 3.41Å; S147-R151 PolarHBondContact O-N 3.08Å; G149-R151 VanDerWaalsContact C-N 3.35Å; G149-R151 PolarHBondContact O-N 2.9Å; R151-I154 PolarHBondContact O-N 2.84Å; R151-E155 PolarHBondContact O-N 3.27Å; R151-R209 PolarHBondContact NH1-O 3.4Å; R151-D210 IonicContact CZ-OD2 2.73Å; R151-D210 IonicContact NH1-OD2 3.41Å; R151-D210 PolarHBondContact NH1-OD2 3.38Å; R151-D210 IonicContact NH2-OD2 2.62Å; R151-D213 WeakPolarHBondContact CD-O 3.4Å; R151-A214 HydrophobicContact CB-CB 4.35Å; R151-A214 HydrophobicContact CG-CB 3.89Å; R151-N230 HydrophobicContact CG-CB 3.84Å; R151-N230 VanDerWaalsContact CG-CG 3.46Å; R151-N230 WeakPolarHBondContact CG-ND2 3.19Å; R151-N230 PolarHBondContact O-ND2 3.23Å
152R98.6Very high96.7Very high121 Ų12138.5 Ų38.546%0.45720%0.195SC..Hα-helixtrans-66.8-36174.8-70.8164.2-175.3-177.6-5.9112.4R148 G149 E150 E155 K156 D213 A214R148-R152 WeakPolarHBondContact O-CB 3.13Å; R148-R152 VanDerWaalsContact O-CD 3.26Å; R148-R152 WeakPolarHBondContact O-CD 3.06Å; R148-R152 WeakPolarHBondContact O-CG 3.36Å; R148-R152 PolarHBondContact O-N 3.45Å; R148-R152 VanDerWaalsContact O-N 3.1Å; G149-R152 PolarHBondContact O-N 2.95Å; E150-R152 VanDerWaalsContact C-N 3.34Å; E150-R152 PolarHBondContact O-N 2.66Å; R152-E155 PolarHBondContact O-N 3.37Å; R152-K156 WeakPolarHBondContact O-CB 3.36Å; R152-K156 PolarHBondContact O-N 2.83Å; R152-D213 IonicContact CZ-OD1 2.76Å; R152-D213 IonicContact CZ-OD2 3.97Å; R152-D213 IonicContact NE-OD1 2.77Å; R152-D213 PolarHBondContact NE-OD1 3.29Å; R152-D213 IonicContact NE-OD2 3.16Å; R152-D213 PolarHBondContact NE-OD2 2.72Å; R152-D213 IonicContact NH2-OD1 3.48Å; R152-D213 PolarHBondContact NH2-OD1 3.08Å; R152-D213 IonicContact NH2-OD2 2.74Å; R152-D213 PolarHBondContact NH2-OD2 3.39Å; R152-A214 HydrophobicContact CB-CB 4.39Å; R152-A214 HydrophobicContact CG-CB 3.75Å
153A96.9Very high96.5Very high33 Ų3342.5 Ų42.527%0.27322%0.219SC..Hα-helixtrans-65.4-43.9174.900000111.3Y140 G149 E150 K156 L157Y140-A153 HydrophobicContact CE1-CB 3.58Å; G149-A153 PolarHBondContact O-N 3.2Å; E150-A153 WeakPolarHBondContact O-CB 2.8Å; E150-A153 PolarHBondContact O-N 2.83Å; E150-A153 VanDerWaalsContact O-N 3.1Å; A153-K156 PolarHBondContact O-N 2.89Å; A153-L157 WeakPolarHBondContact O-CG 3.47Å; A153-L157 PolarHBondContact O-N 3.17Å
154I97.1Very high96.2Very high0 Ų045.7 Ų45.70%024%0.242CC..Hα-helixtrans-57.8-48.4172.2-70157.5000110.9I137 Y140 E150 R151 K156 L157 A158 N230 H234I137-I154 HydrophobicContact CD1-CB 4.33Å; I137-I154 HydrophobicContact CD1-CG1 4.27Å; I137-I154 HydrophobicContact CD1-CG2 3.82Å; Y140-I154 HydrophobicContact CD1-CD1 4.37Å; Y140-I154 HydrophobicContact CD1-CG1 4.03Å; Y140-I154 HydrophobicContact CD2-CG1 4.18Å; Y140-I154 HydrophobicContact CG-CD1 4.14Å; Y140-I154 HydrophobicContact CG-CG1 3.82Å; E150-I154 WeakPolarHBondContact O-CG1 3.36Å; E150-I154 PolarHBondContact O-N 3.27Å; R151-I154 PolarHBondContact O-N 2.84Å; I154-K156 PolarHBondContact O-N 3.41Å; I154-L157 PolarHBondContact O-N 3.48Å; I154-A158 WeakPolarHBondContact O-CB 3.11Å; I154-A158 PolarHBondContact O-N 3.45Å; I154-N230 WeakPolarHBondContact CG2-OD1 3.11Å; I154-H234 HydrophobicContact CG2-CB 3.87Å
155E98.1Very high96.1Very high26 Ų2645.7 Ų45.712%0.12124%0.241CC..Hα-helixtrans-57.9-48.4177.8177.9-177.5-133.900111.1R151 R152 L157 A158 V159 Y173 A214 V229R151-E155 PolarHBondContact O-N 3.27Å; R152-E155 PolarHBondContact O-N 3.37Å; E155-L157 PolarHBondContact O-N 2.77Å; E155-A158 PolarHBondContact O-N 2.67Å; E155-V159 HydrophobicContact CG-CG2 4.21Å; E155-V159 VanDerWaalsContact O-CG2 3.28Å; E155-V159 WeakPolarHBondContact O-CG2 3.35Å; E155-V159 PolarHBondContact O-N 2.91Å; E155-Y173 HydrophobicContact CG-CE1 4.26Å; E155-Y173 WeakPolarHBondContact CG-OH 3.49Å; E155-Y173 WeakPolarHBondContact OE1-CE1 3.34Å; E155-Y173 PolarHBondContact OE1-OH 3.24Å; E155-A214 HydrophobicContact CB-CB 4.07Å; E155-A214 WeakPolarHBondContact OE2-CA 3.25Å; E155-V229 HydrophobicContact CB-CG1 4.32Å; E155-V229 HydrophobicContact CG-CG1 4.5Å
156K95.9Very high96Very high146 Ų14648.5 Ų48.564%0.63526%0.257SS*.Hα-helixtrans-57.1-49.3179.9-175.8-174.9174.4-169.90111.6R152 A153 I154 V159 E160R152-K156 WeakPolarHBondContact O-CB 3.36Å; R152-K156 PolarHBondContact O-N 2.83Å; A153-K156 PolarHBondContact O-N 2.89Å; I154-K156 PolarHBondContact O-N 3.41Å; K156-V159 PolarHBondContact O-N 3.33Å; K156-E160 WeakPolarHBondContact O-CB 3.24Å; K156-E160 PolarHBondContact O-N 3.14Å
157L93.8Very high96Very high24 Ų2451.5 Ų51.513%0.12629%0.288CS..Hα-helixtrans-62.5-42.6178.3-69.7172.7000111.8Y140 A153 I154 E155 E160 A161 F264Y140-L157 HydrophobicContact CE2-CD1 3.79Å; Y140-L157 WeakPolarHBondContact OH-CD1 3.5Å; A153-L157 WeakPolarHBondContact O-CG 3.47Å; A153-L157 PolarHBondContact O-N 3.17Å; I154-L157 PolarHBondContact O-N 3.48Å; E155-L157 PolarHBondContact O-N 2.77Å; L157-E160 PolarHBondContact O-N 3.45Å; L157-A161 WeakPolarHBondContact O-CB 3.23Å; L157-A161 PolarHBondContact O-N 3.42Å; L157-F264 HydrophobicContact CB-CE1 4.11Å
158A95.9Very high96Very high0 Ų052.3 Ų52.30%029%0.286CS..Hα-helixtrans-61.9-46.8177.400000111.6I154 E155 A161 L162 V229 L235 F264I154-A158 WeakPolarHBondContact O-CB 3.11Å; I154-A158 PolarHBondContact O-N 3.45Å; E155-A158 PolarHBondContact O-N 2.67Å; A158-A161 PolarHBondContact O-N 2.69Å; A158-L162 HydrophobicContact CB-CD1 4.39Å; A158-L162 VanDerWaalsContact O-CB 3.27Å; A158-L162 WeakPolarHBondContact O-CB 3.42Å; A158-L162 WeakPolarHBondContact O-CD1 3.4Å; A158-L162 WeakPolarHBondContact O-CG 3.38Å; A158-L162 PolarHBondContact O-N 3.04Å; A158-V229 HydrophobicContact CB-CG1 3.98Å; A158-V229 HydrophobicContact CB-CG2 4.06Å; A158-L235 HydrophobicContact CB-CD2 3.69Å; A158-F264 HydrophobicContact CB-CZ 4.49Å
159V95.5Very high96Very high36 Ų3645.8 Ų45.822%0.21826%0.262CS..Hα-helixtrans-63.3-45.5178.81740000111.2E155 K156 A161 L162 T163 Y173E155-V159 HydrophobicContact CG-CG2 4.21Å; E155-V159 VanDerWaalsContact O-CG2 3.28Å; E155-V159 WeakPolarHBondContact O-CG2 3.35Å; E155-V159 PolarHBondContact O-N 2.91Å; K156-V159 PolarHBondContact O-N 3.33Å; V159-A161 VanDerWaalsContact C-N 3.33Å; V159-A161 PolarHBondContact O-N 3.01Å; V159-L162 PolarHBondContact O-N 2.95Å; V159-T163 HydrophobicContact CG1-CG2 4.04Å; V159-T163 VanDerWaalsContact O-CB 3.32Å; V159-T163 WeakPolarHBondContact O-CB 3.47Å; V159-T163 WeakPolarHBondContact O-CG2 3.42Å; V159-T163 PolarHBondContact O-N 3.41Å; V159-T163 PolarHBondContact O-OG1 3.19Å; V159-Y173 HydrophobicContact CG1-CD1 4.4Å; V159-Y173 HydrophobicContact CG2-CD1 3.32Å; V159-Y173 HydrophobicContact CG2-CD2 4.04Å; V159-Y173 HydrophobicContact CG2-CE1 3.44Å; V159-Y173 VanDerWaalsContact CG2-CE1 3.44Å; V159-Y173 HydrophobicContact CG2-CE2 4.15Å; V159-Y173 HydrophobicContact CG2-CG 3.62Å
160E91.3Very high96Very high89 Ų8949.6 Ų49.642%0.41627%0.265SS..Hα-helixtrans-58-46.1176.4-176.6169-172.300111.4K156 L157 T163 S164 H267K156-E160 WeakPolarHBondContact O-CB 3.24Å; K156-E160 PolarHBondContact O-N 3.14Å; L157-E160 PolarHBondContact O-N 3.45Å; E160-T163 PolarHBondContact O-OG1 2.92Å; E160-S164 PolarHBondContact O-N 3.02Å; E160-H267 IonicContact OE1-CD2 3.01Å; E160-H267 IonicContact OE1-NE2 2.69Å
161A91.4Very high95.9Very high3 Ų348.4 Ų48.43%0.02527%0.265CS..Hα-helixtrans-64.3-50.6176.900000112.7L157 A158 V159 T163 S164 I263 F264L157-A161 WeakPolarHBondContact O-CB 3.23Å; L157-A161 PolarHBondContact O-N 3.42Å; A158-A161 PolarHBondContact O-N 2.69Å; V159-A161 VanDerWaalsContact C-N 3.33Å; V159-A161 PolarHBondContact O-N 3.01Å; A161-T163 VanDerWaalsContact C-N 3.35Å; A161-T163 PolarHBondContact O-N 2.83Å; A161-S164 PolarHBondContact O-N 2.98Å; A161-S164 PolarHBondContact O-OG 2.86Å; A161-I263 HydrophobicContact CB-CB 4.26Å; A161-I263 HydrophobicContact CB-CG2 3.55Å; A161-F264 HydrophobicContact CB-CD2 4.16Å; A161-F264 HydrophobicContact CB-CE2 3.8Å; A161-F264 HydrophobicContact CB-CZ 4.22Å
162L95.1Very high95.7Very high1 Ų153.5 Ų53.51%0.00529%0.287CS..Hα-helixtrans-71.2-28.8-172.9-64.7167.2000113.1A158 V159 S164 L165 W218 V227 V229 I260A158-L162 HydrophobicContact CB-CD1 4.39Å; A158-L162 VanDerWaalsContact O-CB 3.27Å; A158-L162 WeakPolarHBondContact O-CB 3.42Å; A158-L162 WeakPolarHBondContact O-CD1 3.4Å; A158-L162 WeakPolarHBondContact O-CG 3.38Å; A158-L162 PolarHBondContact O-N 3.04Å; V159-L162 PolarHBondContact O-N 2.95Å; L162-S164 VanDerWaalsContact C-N 3.28Å; L162-L165 HydrophobicContact CD2-CD1 3.89Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 3.16Å; L162-W218 HydrophobicContact CB-CB 4.46Å; L162-W218 HydrophobicContact CB-CD2 4.05Å; L162-W218 HydrophobicContact CB-CG 3.81Å; L162-W218 HydrophobicContact CD1-CB 3.77Å; L162-W218 HydrophobicContact CD1-CD2 4.5Å; L162-W218 HydrophobicContact CD1-CG 4Å; L162-W218 HydrophobicContact CD2-CD2 4.3Å; L162-W218 HydrophobicContact CD2-CE3 4.35Å; L162-W218 HydrophobicContact CG-CG 4.35Å; L162-W218 PolarHBondContact O-NE1 3.11Å; L162-V227 HydrophobicContact CD1-CB 3.96Å; L162-V227 HydrophobicContact CD1-CG1 3.94Å; L162-V227 HydrophobicContact CD1-CG2 4.44Å; L162-V227 HydrophobicContact CD2-CB 4.15Å; L162-V227 HydrophobicContact CD2-CG1 4.4Å; L162-V227 HydrophobicContact CD2-CG2 3.7Å; L162-V229 HydrophobicContact CD1-CG2 4.34Å; L162-I260 HydrophobicContact CD2-CD1 3.82Å; L162-I260 HydrophobicContact CD2-CG1 4.04Å
163T93.1Very high95.6Very high83 Ų8348.9 Ų48.951%0.50927%0.27SS..Hα-helixtrans-74.8-18.417553.30000113.4V159 E160 A161 L165V159-T163 HydrophobicContact CG1-CG2 4.04Å; V159-T163 VanDerWaalsContact O-CB 3.32Å; V159-T163 WeakPolarHBondContact O-CB 3.47Å; V159-T163 WeakPolarHBondContact O-CG2 3.42Å; V159-T163 PolarHBondContact O-N 3.41Å; V159-T163 PolarHBondContact O-OG1 3.19Å; E160-T163 PolarHBondContact O-OG1 2.92Å; A161-T163 VanDerWaalsContact C-N 3.35Å; A161-T163 PolarHBondContact O-N 2.83Å; T163-L165 VanDerWaalsContact C-N 3.3Å
164S93.3Very high95.5Very high68 Ų6849.4 Ų49.448%0.47627%0.265SS..THydrogen-bonded Turntrans-81.8-8.5173.976.50000113.8E160 A161 L162 I263E160-S164 PolarHBondContact O-N 3.02Å; A161-S164 PolarHBondContact O-N 2.98Å; A161-S164 PolarHBondContact O-OG 2.86Å; L162-S164 VanDerWaalsContact C-N 3.28Å; S164-I263 WeakPolarHBondContact OG-CD1 3.41Å
165L95.5Very high95.5Very high8 Ų850.9 Ų50.94%0.04228%0.275CS..  trans-67.5141.7177.4-68173.2000111.3L162 T163 F169 W218 K259 I260 I263L162-L165 HydrophobicContact CD2-CD1 3.89Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 3.16Å; T163-L165 VanDerWaalsContact C-N 3.3Å; L165-F169 HydrophobicContact CB-CB 3.97Å; L165-F169 WeakPolarHBondContact CB-O 3.19Å; L165-F169 HydrophobicContact CD1-CB 4.34Å; L165-F169 HydrophobicContact CD2-CB 4.46Å; L165-F169 HydrophobicContact CG-CB 4.5Å; L165-W218 HydrophobicContact CB-CZ2 4.31Å; L165-W218 HydrophobicContact CD1-CH2 3.73Å; L165-W218 HydrophobicContact CD1-CZ2 3.79Å; L165-W218 HydrophobicContact CD1-CZ3 4.41Å; L165-K259 HydrophobicContact CD2-CB 3.85Å; L165-K259 HydrophobicContact CD2-CD 4.3Å; L165-I260 HydrophobicContact CD1-CG1 4.14Å; L165-I260 HydrophobicContact CD2-CG1 4.48Å; L165-I263 HydrophobicContact CD2-CD1 3.76Å; L165-I263 HydrophobicContact CG-CD1 4.35Å
166D95.9Very high95.3Very high93 Ų9350.8 Ų50.850%0.49728%0.275SS..  trans-130.1178.1-173.366.2-4.9000112.8E168 F169 K170 K259D166-E168 PolarHBondContact O-N 3.25Å; D166-F169 PolarHBondContact O-N 3.06Å; D166-K170 PolarHBondContact O-N 3.25Å; D166-K259 IonicContact OD1-NZ 2.75Å; D166-K259 PolarHBondContact OD1-NZ 3.19Å
167G97.1Very high95.1Very high64 Ų6450.7 Ų50.766%0.6628%0.275SS*.G310 helixtrans58.8-130.3179.100000112.4F169 K170G167-F169 PolarHBondContact O-N 2.92Å; G167-F169 VanDerWaalsContact O-N 3.15Å; G167-K170 WeakPolarHBondContact O-CB 3.45Å; G167-K170 PolarHBondContact O-N 3.11Å; G167-K170 VanDerWaalsContact O-N 3.15Å
168E97.6Very high94.9Very high70 Ų7053 Ų5333%0.32729%0.293SS..G310 helixtrans-64-15.3177.569.7172.7126.300113.9D166 N220 R251D166-E168 PolarHBondContact O-N 3.25Å; E168-N220 PolarHBondContact O-ND2 2.77Å; E168-R251 IonicContact OE1-CZ 3.87Å; E168-R251 IonicContact OE1-NH1 3.22Å; E168-R251 PolarHBondContact OE1-NH1 3.31Å; E168-R251 IonicContact OE1-NH2 2.67Å; E168-R251 PolarHBondContact OE1-NH2 3.27Å; E168-R251 IonicContact OE2-CZ 2.92Å; E168-R251 IonicContact OE2-NH1 3.02Å; E168-R251 IonicContact OE2-NH2 3.78Å; E168-R251 PolarHBondContact OE2-NH2 2.99Å
169F98.3Very high94.6Very high2 Ų254 Ų541%0.00930%0.298CS..G310 helixtrans-102.53.9179.4-54.5-73.4000112.9L165 D166 G167 G171 W218 F225 R252 V255 G256 K259L165-F169 HydrophobicContact CB-CB 3.97Å; L165-F169 WeakPolarHBondContact CB-O 3.19Å; L165-F169 HydrophobicContact CD1-CB 4.34Å; L165-F169 HydrophobicContact CD2-CB 4.46Å; L165-F169 HydrophobicContact CG-CB 4.5Å; D166-F169 PolarHBondContact O-N 3.06Å; G167-F169 PolarHBondContact O-N 2.92Å; G167-F169 VanDerWaalsContact O-N 3.15Å; F169-G171 PolarHBondContact O-N 2.62Å; F169-W218 WeakPolarHBondContact O-CH2 3.35Å; F169-W218 WeakPolarHBondContact O-CZ2 3.29Å; F169-F225 HydrophobicContact CD1-CB 4.34Å; F169-F225 AromaticContact CD1-CD1 3.57Å; F169-F225 HydrophobicContact CD1-CD1 3.57Å; F169-F225 AromaticContact CD1-CE1 3.96Å; F169-F225 HydrophobicContact CD1-CE1 3.96Å; F169-F225 AromaticContact CD1-CG 3.94Å; F169-F225 HydrophobicContact CD1-CG 3.94Å; F169-F225 HydrophobicContact CE1-CD1 4.15Å; F169-F225 HydrophobicContact CE1-CD2 4.4Å; F169-F225 HydrophobicContact CE1-CE1 4.39Å; F169-F225 HydrophobicContact CE1-CG 4.17Å; F169-R252 HydrophobicContact CE1-CG 3.62Å; F169-R252 WeakPolarHBondContact CE1-O 3.49Å; F169-R252 HydrophobicContact CZ-CG 4.15Å; F169-V255 HydrophobicContact CE2-CB 4.29Å; F169-V255 HydrophobicContact CE2-CG1 3.59Å; F169-V255 HydrophobicContact CZ-CB 3.93Å; F169-V255 HydrophobicContact CZ-CG1 3.76Å; F169-G256 VanDerWaalsContact CE1-CA 3.43Å; F169-K259 HydrophobicContact CD2-CD 3.79Å; F169-K259 HydrophobicContact CE2-CD 4.09Å
170K98.2Very high94.3Very high127 Ų12755.9 Ų55.955%0.55231%0.31SS*.  trans-60.5131.9173.4-174.8-177.9176.7-173.60109.8D166 G167 N220 D221D166-K170 PolarHBondContact O-N 3.25Å; G167-K170 WeakPolarHBondContact O-CB 3.45Å; G167-K170 PolarHBondContact O-N 3.11Å; G167-K170 VanDerWaalsContact O-N 3.15Å; K170-N220 CarbonylContact O-C 3.57Å; K170-N220 WeakPolarHBondContact O-CA 3.23Å; K170-N220 VanDerWaalsContact O-CB 3.32Å; K170-N220 WeakPolarHBondContact O-CB 3.3Å; K170-D221 PolarHBondContact O-N 2.99Å
171G96.5Very high94Very high21 Ų2157.6 Ų57.622%0.21632%0.322CS..EExtended strand (participates in β ladder)trans-162.1-174.5-173.900000114.9F169 H219F169-G171 PolarHBondContact O-N 2.62Å; G171-H219 CarbonylContact C-O 3.5Å; G171-H219 WeakPolarHBondContact CA-O 3.3Å
172K95.4Very high93.8Very high108 Ų10860.8 Ų60.847%0.4735%0.348SS..EExtended strand (participates in β ladder)trans-132.8143.8-176.4179.9177.4170.7-161.10111.1Y174 W218 H219K172-Y174 HydrophobicContact CB-CE2 3.76Å; K172-Y174 HydrophobicContact CD-CE1 4.02Å; K172-Y174 HydrophobicContact CD-CE2 4.13Å; K172-Y174 HydrophobicContact CG-CD2 4.36Å; K172-Y174 HydrophobicContact CG-CE1 4.49Å; K172-Y174 HydrophobicContact CG-CE2 3.82Å; K172-Y174 WeakPolarHBondContact O-CD2 3.32Å; K172-Y174 WeakPolarHBondContact O-CE2 3.32Å; K172-W218 WeakPolarHBondContact O-CA 3.46Å; K172-H219 PolarHBondContact N-O 2.76Å; K172-H219 PolarHBondContact O-N 3.08Å; K172-H219 VanDerWaalsContact O-N 3.15Å
173Y96.4Very high93.4Very high24 Ų2463.6 Ų63.69%0.09436%0.361CS..EExtended strand (participates in β ladder)trans-92.1140170.7-176.5-114.6000111.5E155 V159 P175 G216 I217 W218 V229E155-Y173 HydrophobicContact CG-CE1 4.26Å; E155-Y173 WeakPolarHBondContact CG-OH 3.49Å; E155-Y173 WeakPolarHBondContact OE1-CE1 3.34Å; E155-Y173 PolarHBondContact OE1-OH 3.24Å; V159-Y173 HydrophobicContact CG1-CD1 4.4Å; V159-Y173 HydrophobicContact CG2-CD1 3.32Å; V159-Y173 HydrophobicContact CG2-CD2 4.04Å; V159-Y173 HydrophobicContact CG2-CE1 3.44Å; V159-Y173 VanDerWaalsContact CG2-CE1 3.44Å; V159-Y173 HydrophobicContact CG2-CE2 4.15Å; V159-Y173 HydrophobicContact CG2-CG 3.62Å; Y173-P175 HydrophobicContact CD1-CG 3.83Å; Y173-P175 HydrophobicContact CE1-CB 3.96Å; Y173-P175 HydrophobicContact CE1-CG 3.67Å; Y173-G216 VanDerWaalsContact OH-CA 3.28Å; Y173-G216 WeakPolarHBondContact OH-CA 3.3Å; Y173-G216 PolarHBondContact OH-N 3.16Å; Y173-I217 WeakPolarHBondContact CD2-O 3.3Å; Y173-W218 HydrophobicContact CD2-CB 4Å; Y173-V229 HydrophobicContact CE2-CB 4.18Å; Y173-V229 HydrophobicContact CE2-CG2 3.85Å
174Y94.9Very high92.9Very high44 Ų4463.6 Ų63.617%0.17336%0.355CS..EExtended strand (participates in β ladder)trans-126.597.9179.9-59-100.5000108.2K172 G216 I217 H219K172-Y174 HydrophobicContact CB-CE2 3.76Å; K172-Y174 HydrophobicContact CD-CE1 4.02Å; K172-Y174 HydrophobicContact CD-CE2 4.13Å; K172-Y174 HydrophobicContact CG-CD2 4.36Å; K172-Y174 HydrophobicContact CG-CE1 4.49Å; K172-Y174 HydrophobicContact CG-CE2 3.82Å; K172-Y174 WeakPolarHBondContact O-CD2 3.32Å; K172-Y174 WeakPolarHBondContact O-CE2 3.32Å; Y174-G216 VanDerWaalsContact O-CA 3.27Å; Y174-G216 WeakPolarHBondContact O-CA 3.29Å; Y174-I217 PolarHBondContact N-O 3.09Å; Y174-I217 PolarHBondContact O-N 3.44Å; Y174-H219 AromaticContact CD2-NE2 3.91Å; Y174-H219 AromaticContact CE2-CD2 3.73Å; Y174-H219 AromaticContact CE2-CE1 3.76Å; Y174-H219 AromaticContact CE2-NE2 3.23Å; Y174-H219 WeakPolarHBondContact CE2-NE2 3.32Å; Y174-H219 AromaticContact CZ-NE2 3.66Å
175P95.8Very high92.3Very high31 Ų3167 Ų6720%0.20136%0.363CS..EExtended strand (participates in β ladder)trans-65.2133.8174.2-10.522.5000110Y173 K177 S178 M179Y173-P175 HydrophobicContact CD1-CG 3.83Å; Y173-P175 HydrophobicContact CE1-CB 3.96Å; Y173-P175 HydrophobicContact CE1-CG 3.67Å; P175-K177 VanDerWaalsContact C-N 3.26Å; P175-K177 HydrophobicContact CB-CG 4.21Å; P175-K177 PolarHBondContact O-N 3.41Å; P175-S178 PolarHBondContact O-N 2.79Å; P175-S178 PolarHBondContact O-OG 3.03Å; P175-M179 PolarHBondContact O-N 2.96Å
176L93.4Very high91.6Very high24 Ų2471 Ų7113%0.12638%0.382CS..G310 helixtrans-60.5-37.4-179.3-68.4-167.6000112.2S178 M179 L193 F194 W211 P212 R215L176-S178 PolarHBondContact O-N 2.78Å; L176-S178 VanDerWaalsContact O-N 3.11Å; L176-M179 HydrophobicContact CD2-CE 3.73Å; L176-M179 HydrophobicContact CD2-SD 4.25Å; L176-M179 PolarHBondContact O-N 2.87Å; L176-L193 HydrophobicContact CD2-CD1 3.75Å; L176-F194 HydrophobicContact CD1-CE2 3.69Å; L176-F194 HydrophobicContact CD1-CZ 3.84Å; L176-F194 HydrophobicContact CD2-CZ 4.49Å; L176-F194 HydrophobicContact CG-CZ 4.3Å; L176-W211 HydrophobicContact CD1-CH2 3.47Å; L176-W211 VanDerWaalsContact CD1-CH2 3.47Å; L176-W211 HydrophobicContact CD1-CZ2 3.36Å; L176-W211 HydrophobicContact CD1-CZ3 4.26Å; L176-P212 HydrophobicContact CB-CB 3.88Å; L176-P212 HydrophobicContact CD1-CB 4.41Å; L176-R215 WeakPolarHBondContact CB-O 3.47Å; L176-R215 HydrophobicContact CD1-CB 3.71Å; L176-R215 HydrophobicContact CG-CB 4.08Å; L176-R215 PolarHBondContact N-O 3.42Å
177K91.7Very high91.1Very high144 Ų14466.8 Ų66.863%0.62636%0.359SS*.G310 helixtrans-60.5-22-178.870.9-180-178.5-172.80114.4P175 P212P175-K177 VanDerWaalsContact C-N 3.26Å; P175-K177 HydrophobicContact CB-CG 4.21Å; P175-K177 PolarHBondContact O-N 3.41Å; K177-P212 HydrophobicContact CB-CG 4.32Å
178S91Very high90.2Very high73 Ų7367.1 Ų67.151%0.5135%0.345SS..G310 helixtrans-121.810.9-175.354.70000112.1P175 L176P175-S178 PolarHBondContact O-N 2.79Å; P175-S178 PolarHBondContact O-OG 3.03Å; L176-S178 PolarHBondContact O-N 2.78Å; L176-S178 VanDerWaalsContact O-N 3.11Å
179M89.7Confident89.2Confident22 Ų2267.8 Ų67.811%0.10836%0.358CS..  trans-73.4129177.5-168.5171.7-73.400108.8P175 L176 E183 Q184 L187 L193 I217P175-M179 PolarHBondContact O-N 2.96Å; L176-M179 HydrophobicContact CD2-CE 3.73Å; L176-M179 HydrophobicContact CD2-SD 4.25Å; L176-M179 PolarHBondContact O-N 2.87Å; M179-E183 HydrophobicContact CG-CB 3.76Å; M179-Q184 HydrophobicContact CG-CB 4Å; M179-Q184 HydrophobicContact SD-CB 3.79Å; M179-Q184 HydrophobicContact SD-CG 4.34Å; M179-L187 HydrophobicContact CE-CD1 3.49Å; M179-L187 VanDerWaalsContact CE-CD1 3.49Å; M179-L187 HydrophobicContact SD-CD1 3.82Å; M179-L193 HydrophobicContact CE-CD1 3.88Å; M179-L193 HydrophobicContact SD-CD1 4.09Å; M179-L193 HydrophobicContact SD-CD2 3.92Å; M179-I217 HydrophobicContact CE-CG2 3.81Å
180T89Confident88.2Confident75 Ų7569.6 Ų69.646%0.4637%0.368SS..  trans-74.215617360.20000110.6A182 E183 Q184T180-A182 PolarHBondContact O-N 2.82Å; T180-E183 PolarHBondContact N-OE2 3.23Å; T180-E183 PolarHBondContact O-N 2.85Å; T180-E183 VanDerWaalsContact O-N 3.09Å; T180-E183 WeakPolarHBondContact OG1-CB 3.12Å; T180-E183 VanDerWaalsContact OG1-CG 3.25Å; T180-E183 WeakPolarHBondContact OG1-CG 3.38Å; T180-E183 PolarHBondContact OG1-N 2.96Å; T180-E183 PolarHBondContact OG1-OE2 2.69Å; T180-Q184 WeakPolarHBondContact O-CB 3.48Å; T180-Q184 PolarHBondContact O-N 3.46Å
181D83.6Confident87.2Confident125 Ų12569.4 Ų69.467%0.66837%0.369SS*.Hα-helixtrans-54.7-39.7176.9-64.1-21.3000111.6Q184 E185D181-Q184 PolarHBondContact O-N 3.34Å; D181-E185 WeakPolarHBondContact O-CB 3.17Å; D181-E185 WeakPolarHBondContact O-CG 3.38Å; D181-E185 PolarHBondContact O-N 2.91Å
182A87.3Confident86.6Confident70 Ų7069.3 Ų69.358%0.57936%0.362SS*.Hα-helixtrans-66.3-41.2177.500000113.2T180 Q184 Q186T180-A182 PolarHBondContact O-N 2.82Å; A182-Q184 VanDerWaalsContact C-N 3.35Å; A182-Q186 VanDerWaalsContact O-CB 3.31Å; A182-Q186 WeakPolarHBondContact O-CB 3.34Å; A182-Q186 PolarHBondContact O-N 3.5Å
183E86.7Confident86Confident60 Ų6065 Ų6528%0.2834%0.344SS..Hα-helixtrans-65.1-41.9174.1-75168.513700111M179 T180 Q186 L187M179-E183 HydrophobicContact CG-CB 3.76Å; T180-E183 PolarHBondContact N-OE2 3.23Å; T180-E183 PolarHBondContact O-N 2.85Å; T180-E183 VanDerWaalsContact O-N 3.09Å; T180-E183 WeakPolarHBondContact OG1-CB 3.12Å; T180-E183 VanDerWaalsContact OG1-CG 3.25Å; T180-E183 WeakPolarHBondContact OG1-CG 3.38Å; T180-E183 PolarHBondContact OG1-N 2.96Å; T180-E183 PolarHBondContact OG1-OE2 2.69Å; E183-Q186 PolarHBondContact O-N 2.93Å; E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 VanDerWaalsContact O-CG 3.23Å; E183-L187 WeakPolarHBondContact O-CG 3.28Å; E183-L187 PolarHBondContact O-N 3Å
184Q82.8Confident85.2Confident83 Ų8364.2 Ų64.239%0.38834%0.341SS..Hα-helixtrans-62.8-50.8178.1179.2167.6300111.4M179 T180 D181 A182 Q186 L187 I188 L193M179-Q184 HydrophobicContact CG-CB 4Å; M179-Q184 HydrophobicContact SD-CB 3.79Å; M179-Q184 HydrophobicContact SD-CG 4.34Å; T180-Q184 WeakPolarHBondContact O-CB 3.48Å; T180-Q184 PolarHBondContact O-N 3.46Å; D181-Q184 PolarHBondContact O-N 3.34Å; A182-Q184 VanDerWaalsContact C-N 3.35Å; Q184-Q186 VanDerWaalsContact C-N 3.31Å; Q184-Q186 PolarHBondContact O-N 3.32Å; Q184-L187 PolarHBondContact O-N 3.17Å; Q184-I188 HydrophobicContact CG-CD1 3.78Å; Q184-I188 HydrophobicContact CG-CG1 4.49Å; Q184-I188 WeakPolarHBondContact O-CB 3.37Å; Q184-I188 VanDerWaalsContact O-CG1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.47Å; Q184-I188 PolarHBondContact O-N 3.34Å; Q184-L193 HydrophobicContact CB-CD2 4.44Å; Q184-L193 HydrophobicContact CG-CD2 3.68Å
185E80.5Confident83.9Confident138 Ų13867.4 Ų67.465%0.64536%0.361SS*.Hα-helixtrans-58.2-43.2176.9-77178.7178.600111.8D181 I188 S189D181-E185 WeakPolarHBondContact O-CB 3.17Å; D181-E185 WeakPolarHBondContact O-CG 3.38Å; D181-E185 PolarHBondContact O-N 2.91Å; E185-I188 PolarHBondContact O-N 2.96Å; E185-S189 VanDerWaalsContact O-CB 3.29Å; E185-S189 WeakPolarHBondContact O-CB 3.3Å; E185-S189 PolarHBondContact O-N 2.89Å
186Q82.8Confident82.9Confident92 Ų9272.6 Ų72.643%0.4338%0.381SS..Hα-helixtrans-62.8-45.8177.3-176.262.861.300111.6A182 E183 Q184 I188 S189 D190A182-Q186 VanDerWaalsContact O-CB 3.31Å; A182-Q186 WeakPolarHBondContact O-CB 3.34Å; A182-Q186 PolarHBondContact O-N 3.5Å; E183-Q186 PolarHBondContact O-N 2.93Å; Q184-Q186 VanDerWaalsContact C-N 3.31Å; Q184-Q186 PolarHBondContact O-N 3.32Å; Q186-I188 VanDerWaalsContact C-N 3.33Å; Q186-I188 PolarHBondContact O-N 3.03Å; Q186-S189 PolarHBondContact O-N 3.42Å; Q186-D190 VanDerWaalsContact NE2-CG 3.26Å; Q186-D190 PolarHBondContact NE2-OD1 3.41Å; Q186-D190 PolarHBondContact NE2-OD2 3.01Å; Q186-D190 WeakPolarHBondContact O-CB 3.36Å; Q186-D190 PolarHBondContact O-N 3.43Å
187L84.8Confident82.3Confident5 Ų572.1 Ų72.13%0.02638%0.379CS..Hα-helixtrans-68.9-31.2180-68.6167.2000112.4M179 E183 Q184 H191 F192 L193 I217M179-L187 HydrophobicContact CE-CD1 3.49Å; M179-L187 VanDerWaalsContact CE-CD1 3.49Å; M179-L187 HydrophobicContact SD-CD1 3.82Å; E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 VanDerWaalsContact O-CG 3.23Å; E183-L187 WeakPolarHBondContact O-CG 3.28Å; E183-L187 PolarHBondContact O-N 3Å; Q184-L187 PolarHBondContact O-N 3.17Å; L187-H191 PolarHBondContact O-N 2.98Å; L187-F192 HydrophobicContact CD2-CB 4.1Å; L187-F192 HydrophobicContact CD2-CD2 4.14Å; L187-F192 WeakPolarHBondContact O-CA 3.5Å; L187-F192 PolarHBondContact O-N 3.05Å; L187-L193 HydrophobicContact CB-CB 3.8Å; L187-L193 HydrophobicContact CB-CD1 4.37Å; L187-L193 HydrophobicContact CB-CD2 4.47Å; L187-L193 HydrophobicContact CB-CG 4.44Å; L187-L193 HydrophobicContact CD1-CD1 4.2Å; L187-L193 PolarHBondContact O-N 3.39Å; L187-I217 HydrophobicContact CD1-CG2 3.91Å
188I78.6Confident81.9Confident71 Ų7170.7 Ų70.736%0.36438%0.382SS..Hα-helixtrans-67.3-49.1171.4-70.3167.3000110.2Q184 E185 Q186 D190 H191 L193Q184-I188 HydrophobicContact CG-CD1 3.78Å; Q184-I188 HydrophobicContact CG-CG1 4.49Å; Q184-I188 WeakPolarHBondContact O-CB 3.37Å; Q184-I188 VanDerWaalsContact O-CG1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.47Å; Q184-I188 PolarHBondContact O-N 3.34Å; E185-I188 PolarHBondContact O-N 2.96Å; Q186-I188 VanDerWaalsContact C-N 3.33Å; Q186-I188 PolarHBondContact O-N 3.03Å; I188-D190 VanDerWaalsContact C-N 3.26Å; I188-D190 PolarHBondContact O-N 3.03Å; I188-H191 WeakPolarHBondContact O-CA 3.48Å; I188-H191 PolarHBondContact O-N 2.94Å; I188-L193 HydrophobicContact CD1-CD2 4.43Å; I188-L193 HydrophobicContact CG1-CB 4.1Å; I188-L193 HydrophobicContact CG1-CD2 4.01Å
189S76Confident81.6Confident84 Ų8468 Ų6859%0.58736%0.363SS*.Hα-helixtrans-58.9-38179.1-175.60000112.2E185 Q186 H191E185-S189 VanDerWaalsContact O-CB 3.29Å; E185-S189 WeakPolarHBondContact O-CB 3.3Å; E185-S189 PolarHBondContact O-N 2.89Å; Q186-S189 PolarHBondContact O-N 3.42Å; S189-H191 PolarHBondContact O-N 3.48Å
190D77.4Confident81.6Confident41 Ų4169.6 Ų69.622%0.21938%0.375CS..THydrogen-bonded Turntrans-76.5-3.5177-65.6-24.5000113.6Q186 I188 F192 K223Q186-D190 VanDerWaalsContact NE2-CG 3.26Å; Q186-D190 PolarHBondContact NE2-OD1 3.41Å; Q186-D190 PolarHBondContact NE2-OD2 3.01Å; Q186-D190 WeakPolarHBondContact O-CB 3.36Å; Q186-D190 PolarHBondContact O-N 3.43Å; I188-D190 VanDerWaalsContact C-N 3.26Å; I188-D190 PolarHBondContact O-N 3.03Å; D190-F192 VanDerWaalsContact C-N 3.29Å; D190-F192 HydrophobicContact CB-CD1 4.21Å; D190-F192 HydrophobicContact CB-CD2 3.3Å; D190-F192 HydrophobicContact CB-CE1 4.22Å; D190-F192 HydrophobicContact CB-CE2 3.27Å; D190-F192 HydrophobicContact CB-CG 3.77Å; D190-F192 HydrophobicContact CB-CZ 3.76Å; D190-F192 VanDerWaalsContact O-CD1 3.24Å; D190-F192 WeakPolarHBondContact O-CD1 3.39Å; D190-F192 VanDerWaalsContact O-CE1 3.23Å; D190-F192 WeakPolarHBondContact O-CE1 3.48Å; D190-F192 PolarHBondContact O-N 2.73Å; D190-K223 IonicContact OD2-NZ 2.69Å; D190-K223 PolarHBondContact OD2-NZ 3.3Å
191H77.6Confident81.7Confident123 Ų12368 Ų6857%0.56936%0.364SS*.THydrogen-bonded Turntrans59.934-172.3-52.5-69.1000113.9L187 I188 S189L187-H191 PolarHBondContact O-N 2.98Å; I188-H191 WeakPolarHBondContact O-CA 3.48Å; I188-H191 PolarHBondContact O-N 2.94Å; S189-H191 PolarHBondContact O-N 3.48Å
192F84.3Confident82.1Confident18 Ų1863.3 Ų63.38%0.07934%0.338CS..  trans-102.7-35.2-178.1-63.3-21.5000113.6L187 D190 I217 K223 L226 W228 M240L187-F192 HydrophobicContact CD2-CB 4.1Å; L187-F192 HydrophobicContact CD2-CD2 4.14Å; L187-F192 WeakPolarHBondContact O-CA 3.5Å; L187-F192 PolarHBondContact O-N 3.05Å; D190-F192 VanDerWaalsContact C-N 3.29Å; D190-F192 HydrophobicContact CB-CD1 4.21Å; D190-F192 HydrophobicContact CB-CD2 3.3Å; D190-F192 HydrophobicContact CB-CE1 4.22Å; D190-F192 HydrophobicContact CB-CE2 3.27Å; D190-F192 HydrophobicContact CB-CG 3.77Å; D190-F192 HydrophobicContact CB-CZ 3.76Å; D190-F192 VanDerWaalsContact O-CD1 3.24Å; D190-F192 WeakPolarHBondContact O-CD1 3.39Å; D190-F192 VanDerWaalsContact O-CE1 3.23Å; D190-F192 WeakPolarHBondContact O-CE1 3.48Å; D190-F192 PolarHBondContact O-N 2.73Å; F192-I217 HydrophobicContact CB-CD1 4.06Å; F192-I217 WeakPolarHBondContact O-CD1 3.07Å; F192-K223 HydrophobicContact CD2-CB 4.48Å; F192-K223 HydrophobicContact CD2-CG 4.4Å; F192-K223 HydrophobicContact CE2-CB 3.44Å; F192-K223 VanDerWaalsContact CE2-CB 3.44Å; F192-K223 HydrophobicContact CE2-CD 3.73Å; F192-K223 HydrophobicContact CE2-CG 3.63Å; F192-K223 HydrophobicContact CZ-CB 3.64Å; F192-K223 HydrophobicContact CZ-CG 4.34Å; F192-K223 WeakPolarHBondContact CZ-O 3.28Å; F192-L226 HydrophobicContact CB-CD2 3.49Å; F192-L226 VanDerWaalsContact CB-CD2 3.49Å; F192-L226 HydrophobicContact CD1-CD1 4.34Å; F192-L226 HydrophobicContact CD1-CD2 3.5Å; F192-L226 HydrophobicContact CD2-CD2 3.91Å; F192-L226 HydrophobicContact CE1-CD1 4.45Å; F192-L226 HydrophobicContact CE1-CD2 4.2Å; F192-L226 HydrophobicContact CG-CD2 3.34Å; F192-W228 WeakPolarHBondContact O-CZ2 3.35Å; F192-W228 PolarHBondContact O-NE1 3.24Å; F192-M240 HydrophobicContact CD1-CE 4.31Å; F192-M240 HydrophobicContact CD1-SD 3.94Å; F192-M240 HydrophobicContact CE1-CE 3.92Å; F192-M240 HydrophobicContact CE1-CG 4.43Å; F192-M240 HydrophobicContact CE1-SD 3.79Å
193L81.2Confident82.5Confident17 Ų1762.2 Ų62.29%0.08933%0.325CS..SBendtrans-75.5144.8-179.5-155.759.4000110.8L176 M179 Q184 L187 I188 I217L176-L193 HydrophobicContact CD2-CD1 3.75Å; M179-L193 HydrophobicContact CE-CD1 3.88Å; M179-L193 HydrophobicContact SD-CD1 4.09Å; M179-L193 HydrophobicContact SD-CD2 3.92Å; Q184-L193 HydrophobicContact CB-CD2 4.44Å; Q184-L193 HydrophobicContact CG-CD2 3.68Å; L187-L193 HydrophobicContact CB-CB 3.8Å; L187-L193 HydrophobicContact CB-CD1 4.37Å; L187-L193 HydrophobicContact CB-CD2 4.47Å; L187-L193 HydrophobicContact CB-CG 4.44Å; L187-L193 HydrophobicContact CD1-CD1 4.2Å; L187-L193 PolarHBondContact O-N 3.39Å; I188-L193 HydrophobicContact CD1-CD2 4.43Å; I188-L193 HydrophobicContact CG1-CB 4.1Å; I188-L193 HydrophobicContact CG1-CD2 4.01Å; L193-I217 HydrophobicContact CD1-CB 4.44Å; L193-I217 HydrophobicContact CD1-CG2 3.85Å
194F79.6Confident82.9Confident9 Ų960.4 Ų60.44%0.03932%0.319CS..PPolyproline II helixtrans-88.1137.5163.753-83.5000109.2L176 W211 R215 G216 I217 W228 E231L176-F194 HydrophobicContact CD1-CE2 3.69Å; L176-F194 HydrophobicContact CD1-CZ 3.84Å; L176-F194 HydrophobicContact CD2-CZ 4.49Å; L176-F194 HydrophobicContact CG-CZ 4.3Å; F194-W211 AromaticContact CD2-CH2 3.59Å; F194-W211 HydrophobicContact CD2-CH2 3.59Å; F194-W211 HydrophobicContact CD2-CZ3 4.21Å; F194-W211 AromaticContact CE2-CH2 3.35Å; F194-W211 HydrophobicContact CE2-CH2 3.35Å; F194-W211 HydrophobicContact CE2-CZ2 4.43Å; F194-W211 AromaticContact CE2-CZ3 3.77Å; F194-W211 HydrophobicContact CE2-CZ3 3.77Å; F194-R215 HydrophobicContact CE2-CB 4.4Å; F194-R215 HydrophobicContact CE2-CG 4.46Å; F194-R215 HydrophobicContact CZ-CB 4.28Å; F194-G216 WeakPolarHBondContact CE1-O 3.35Å; F194-I217 HydrophobicContact CE1-CB 4.49Å; F194-W228 HydrophobicContact CB-CD2 3.99Å; F194-W228 HydrophobicContact CB-CE3 3.79Å; F194-W228 HydrophobicContact CB-CH2 3.82Å; F194-W228 HydrophobicContact CB-CZ2 4.03Å; F194-W228 HydrophobicContact CB-CZ3 3.71Å; F194-W228 HydrophobicContact CD1-CB 3.74Å; F194-W228 AromaticContact CD1-CD1 3.65Å; F194-W228 AromaticContact CD1-CD2 3.52Å; F194-W228 HydrophobicContact CD1-CD2 3.52Å; F194-W228 AromaticContact CD1-CE2 3.85Å; F194-W228 HydrophobicContact CD1-CE3 4.04Å; F194-W228 AromaticContact CD1-CG 3.39Å; F194-W228 HydrophobicContact CD1-CG 3.39Å; F194-W228 AromaticContact CD1-NE1 3.91Å; F194-W228 HydrophobicContact CE1-CB 3.64Å; F194-W228 AromaticContact CE1-CD1 4Å; F194-W228 HydrophobicContact CE1-CD2 4.35Å; F194-W228 AromaticContact CE1-CG 3.76Å; F194-W228 HydrophobicContact CE1-CG 3.76Å; F194-W228 HydrophobicContact CG-CD2 4.11Å; F194-W228 HydrophobicContact CG-CE3 4.18Å; F194-W228 HydrophobicContact CG-CG 4.37Å; F194-E231 HydrophobicContact CB-CG 4.04Å; F194-E231 HydrophobicContact CD1-CG 4.49Å; F194-E231 HydrophobicContact CD2-CB 3.92Å; F194-E231 HydrophobicContact CD2-CG 3.27Å; F194-E231 HydrophobicContact CE2-CB 3.84Å; F194-E231 HydrophobicContact CE2-CG 3.69Å; F194-E231 HydrophobicContact CG-CB 4.31Å; F194-E231 HydrophobicContact CG-CG 3.72Å; F194-E231 HydrophobicContact CZ-CB 4.23Å; F194-E231 HydrophobicContact CZ-CG 4.48Å
195D69.4Low83.5Confident111 Ų11156.7 Ų56.759%0.59430%0.302SS*.PPolyproline II helixtrans-69.9164.3178.5-68.1-41.2000111.4
196K74.6Confident84.2Confident139 Ų13950.1 Ų50.160%0.60427%0.271SS*.PPolyproline II helixtrans-51131.9164.9-179.5176.5-178-1790108V198 W211K196-V198 VanDerWaalsContact C-N 3.32Å; K196-V198 WeakPolarHBondContact O-CG1 3.27Å; K196-V198 PolarHBondContact O-N 3.45Å; K196-W211 HydrophobicContact CB-CZ2 4.27Å
197P79.8Confident84.9Confident14 Ų1446.1 Ų46.19%0.09125%0.252CS..  trans-64.194.8-178.823.5-33.5000109.6L202 T203 A208 W211P197-L202 HydrophobicContact CB-CB 4.16Å; P197-L202 HydrophobicContact CB-CD1 3.74Å; P197-T203 VanDerWaalsContact O-CG2 3.28Å; P197-T203 WeakPolarHBondContact O-CG2 3.47Å; P197-A208 HydrophobicContact CB-CB 4.21Å; P197-A208 HydrophobicContact CG-CB 3.68Å; P197-W211 VanDerWaalsContact CD-CE3 3.43Å; P197-W211 HydrophobicContact CG-CD2 4.35Å; P197-W211 HydrophobicContact CG-CE3 3.81Å; P197-W211 HydrophobicContact CG-CZ3 3.96Å
198V82.5Confident85.4Confident115 Ų11547.1 Ų47.170%0.69726%0.262SS*.  trans-97.9-14.2175.5-67.80000111.8K196K196-V198 VanDerWaalsContact C-N 3.32Å; K196-V198 WeakPolarHBondContact O-CG1 3.27Å; K196-V198 PolarHBondContact O-N 3.45Å
199S86.3Confident86.2Confident15 Ų1545.9 Ų45.911%0.10525%0.252CS..  trans-58.8129.9177.4-178.90000109.7L201 L202 T203S199-L201 PolarHBondContact O-N 2.88Å; S199-L201 PolarHBondContact OG-N 3.06Å; S199-L202 PolarHBondContact O-N 3.38Å; S199-T203 PolarHBondContact O-N 3.12Å; S199-T203 VanDerWaalsContact O-N 3.08Å; S199-T203 PolarHBondContact O-OG1 2.62Å; S199-T203 VanDerWaalsContact O-OG1 3.11Å
200P89.6Confident87.1Confident57 Ų5744.3 Ų44.337%0.3724%0.238SC..Hα-helixtrans-64.9-25.2177.431.3-37.5000111.1N63 L202 T203 C204N63-P200 PolarHBondContact ND2-O 3.3Å; N63-P200 VanDerWaalsContact OD1-CB 3.24Å; N63-P200 WeakPolarHBondContact OD1-CB 3.42Å; N63-P200 WeakPolarHBondContact OD1-CG 3.39Å; P200-L202 PolarHBondContact O-N 3.29Å; P200-T203 WeakPolarHBondContact CA-OG1 3.35Å; P200-T203 PolarHBondContact O-OG1 3.2Å; P200-C204 WeakPolarHBondContact O-CB 3.4Å; P200-C204 PolarHBondContact O-N 3.23Å; P200-C204 PolarHBondContact O-SG 3.14Å
201L90.9Very high87.9Confident42 Ų4245.6 Ų45.622%0.2224%0.239CC..Hα-helixtrans-62.8-41.6174.6-58.6177.2000112.2T59 N63 T71 S199 A205T59-L201 PolarHBondContact OG1-O 2.92Å; N63-L201 HydrophobicContact CB-CD2 3.89Å; T71-L201 HydrophobicContact CG2-CD1 3.83Å; T71-L201 HydrophobicContact CG2-CD2 4.09Å; S199-L201 PolarHBondContact O-N 2.88Å; S199-L201 PolarHBondContact OG-N 3.06Å; L201-A205 WeakPolarHBondContact O-CB 3.47Å; L201-A205 PolarHBondContact O-N 3.47Å
202L92.1Very high88.7Confident25 Ų2542 Ų4213%0.13123%0.227CC..Hα-helixtrans-77.2-42.4-180-62177.8000111.9P197 S199 P200 A205 G206 M207 E232P197-L202 HydrophobicContact CB-CB 4.16Å; P197-L202 HydrophobicContact CB-CD1 3.74Å; S199-L202 PolarHBondContact O-N 3.38Å; P200-L202 PolarHBondContact O-N 3.29Å; L202-A205 PolarHBondContact O-N 3.27Å; L202-G206 PolarHBondContact O-N 3.28Å; L202-M207 HydrophobicContact CD2-CE 3.67Å; L202-M207 HydrophobicContact CD2-SD 3.82Å; L202-M207 WeakPolarHBondContact O-CB 3.38Å; L202-M207 PolarHBondContact O-N 3.25Å; L202-E232 HydrophobicContact CD2-CB 4.31Å; L202-E232 HydrophobicContact CD2-CG 3.85Å
203T94.4Very high89.4Confident48 Ų4842.8 Ų42.829%0.29423%0.232SC..Hα-helixtrans-72.1-40.3-176.753.10000111.9P197 S199 P200 A205 G206 A208P197-T203 VanDerWaalsContact O-CG2 3.28Å; P197-T203 WeakPolarHBondContact O-CG2 3.47Å; S199-T203 PolarHBondContact O-N 3.12Å; S199-T203 VanDerWaalsContact O-N 3.08Å; S199-T203 PolarHBondContact O-OG1 2.62Å; S199-T203 VanDerWaalsContact O-OG1 3.11Å; P200-T203 WeakPolarHBondContact CA-OG1 3.35Å; P200-T203 PolarHBondContact O-OG1 3.2Å; T203-A205 VanDerWaalsContact C-N 3.35Å; T203-G206 PolarHBondContact O-N 2.87Å; T203-G206 VanDerWaalsContact O-N 3.11Å; T203-A208 HydrophobicContact CG2-CB 3.86Å
204C95.3Very high90.2Very high22 Ų2242 Ų4215%0.14923%0.228CC..Hα-helixtrans-68.1-32.4174.1-68.10000112.8D62 P200 G206D62-C204 HydrophobicContact CB-CB 3.86Å; D62-C204 WeakPolarHBondContact CB-SG 3.41Å; D62-C204 PolarHBondContact OD2-SG 2.99Å; D62-C204 VanDerWaalsContact OD2-SG 3.34Å; P200-C204 WeakPolarHBondContact O-CB 3.4Å; P200-C204 PolarHBondContact O-N 3.23Å; P200-C204 PolarHBondContact O-SG 3.14Å; C204-G206 PolarHBondContact O-N 3.19Å
205A96.4Very high91Very high4 Ų441.7 Ų41.73%0.03323%0.227CC..THydrogen-bonded Turntrans-73.9-5.1171.800000113.6T59 V75 P144 L201 L202 T203 M207T59-A205 HydrophobicContact CG2-CB 4.5Å; V75-A205 HydrophobicContact CG1-CB 4.1Å; V75-A205 HydrophobicContact CG2-CB 3.99Å; P144-A205 WeakPolarHBondContact CA-O 3.37Å; P144-A205 VanDerWaalsContact CB-O 3.32Å; P144-A205 WeakPolarHBondContact CB-O 3.2Å; L201-A205 WeakPolarHBondContact O-CB 3.47Å; L201-A205 PolarHBondContact O-N 3.47Å; L202-A205 PolarHBondContact O-N 3.27Å; T203-A205 VanDerWaalsContact C-N 3.35Å; A205-M207 HydrophobicContact CB-CG 3.98Å; A205-M207 HydrophobicContact CB-SD 3.65Å
206G95.6Very high92.3Very high0 Ų036.4 Ų36.40%020%0.199CC..THydrogen-bonded Turntrans82.710.7175.200000116P2 L202 T203 C204 A208 R209P2-G206 VanDerWaalsContact CG-CA 3.42Å; L202-G206 PolarHBondContact O-N 3.28Å; T203-G206 PolarHBondContact O-N 2.87Å; T203-G206 VanDerWaalsContact O-N 3.11Å; C204-G206 PolarHBondContact O-N 3.19Å; G206-A208 VanDerWaalsContact C-N 3.32Å; G206-A208 PolarHBondContact O-N 3.36Å; G206-R209 WeakPolarHBondContact O-CG 3.46Å; G206-R209 PolarHBondContact O-NE 3.25Å; G206-R209 VanDerWaalsContact O-NE 3.17Å
207M96.4Very high93.4Very high8 Ų829.8 Ų29.84%0.03917%0.17CC..THydrogen-bonded Turntrans-79.9-15.5-171.3-58.8163.367.300113P143 P144 L202 A205 R209 R215 E232 T282P143-M207 HydrophobicContact CB-CB 4.36Å; P143-M207 HydrophobicContact CB-CE 4.15Å; P143-M207 HydrophobicContact CB-CG 4.21Å; P144-M207 HydrophobicContact CB-CG 4.28Å; P144-M207 HydrophobicContact CG-CG 3.76Å; P144-M207 HydrophobicContact CG-SD 4.07Å; L202-M207 HydrophobicContact CD2-CE 3.67Å; L202-M207 HydrophobicContact CD2-SD 3.82Å; L202-M207 WeakPolarHBondContact O-CB 3.38Å; L202-M207 PolarHBondContact O-N 3.25Å; A205-M207 HydrophobicContact CB-CG 3.98Å; A205-M207 HydrophobicContact CB-SD 3.65Å; M207-R209 VanDerWaalsContact C-N 3.32Å; M207-R209 PolarHBondContact O-N 2.82Å; M207-R215 PolarHBondContact O-NH2 3.38Å; M207-R215 VanDerWaalsContact O-NH2 3.1Å; M207-E232 VanDerWaalsContact CE-CA 3.45Å; M207-E232 HydrophobicContact CE-CB 4.04Å; M207-E232 HydrophobicContact CE-CG 3.6Å; M207-E232 WeakPolarHBondContact CE-O 3.19Å; M207-T282 HydrophobicContact CE-CG2 3.85Å; M207-T282 HydrophobicContact SD-CG2 4.04Å
208A95.5Very high94.2Very high27 Ų2729.1 Ų29.122%0.22317%0.165CC..THydrogen-bonded Turntrans-84.44.1179.500000114.5P197 T203 G206P197-A208 HydrophobicContact CB-CB 4.21Å; P197-A208 HydrophobicContact CG-CB 3.68Å; T203-A208 HydrophobicContact CG2-CB 3.86Å; G206-A208 VanDerWaalsContact C-N 3.32Å; G206-A208 PolarHBondContact O-N 3.36Å
209R94.9Very high94.9Very high44 Ų4424.2 Ų24.217%0.16614%0.135CC..THydrogen-bonded Turntrans-59.4145.4-178.7-79.3-176.8-78.5121.46.8113.4F3 P143 P144 H145 N146 R151 G206 M207 W211 R215F3-R209 HydrophobicContact CD1-CG 3.85Å; F3-R209 HydrophobicContact CD2-CG 4.2Å; F3-R209 HydrophobicContact CE1-CG 3.2Å; F3-R209 HydrophobicContact CE2-CG 3.6Å; F3-R209 HydrophobicContact CG-CG 4.29Å; F3-R209 HydrophobicContact CZ-CB 4.42Å; F3-R209 VanDerWaalsContact CZ-CD 3.47Å; F3-R209 HydrophobicContact CZ-CG 3.03Å; P143-R209 PolarHBondContact O-NH2 2.98Å; P144-R209 VanDerWaalsContact C-NH2 3.32Å; P144-R209 PolarHBondContact O-NH2 3.19Å; H145-R209 VanDerWaalsContact C-NH2 3.26Å; H145-R209 PolarHBondContact O-NH2 3.45Å; N146-R209 PolarHBondContact O-NH1 3.29Å; N146-R209 PolarHBondContact O-NH2 2.9Å; N146-R209 VanDerWaalsContact O-NH2 3.08Å; R151-R209 PolarHBondContact NH1-O 3.4Å; G206-R209 WeakPolarHBondContact O-CG 3.46Å; G206-R209 PolarHBondContact O-NE 3.25Å; G206-R209 VanDerWaalsContact O-NE 3.17Å; M207-R209 VanDerWaalsContact C-N 3.32Å; M207-R209 PolarHBondContact O-N 2.82Å; R209-W211 PolarHBondContact O-N 2.94Å; R209-R215 PolarHBondContact O-NH1 2.73Å; R209-R215 PolarHBondContact O-NH2 2.85Å
210D95.6Very high95.4Very high52 Ų5223.5 Ų23.528%0.27813%0.13SC..THydrogen-bonded Turntrans55.319.2174.1-39.1-78.8000113.8R148 R151 D213R148-D210 WeakPolarHBondContact CD-OD1 3.15Å; R148-D210 HydrophobicContact CG-CB 4.03Å; R148-D210 VanDerWaalsContact CG-OD2 3.32Å; R148-D210 WeakPolarHBondContact CG-OD2 3.3Å; R148-D210 IonicContact CZ-OD1 3.24Å; R148-D210 IonicContact NE-OD1 2.89Å; R148-D210 IonicContact NH1-OD1 3.59Å; R148-D210 PolarHBondContact NH1-OD1 3.35Å; R151-D210 IonicContact CZ-OD2 2.73Å; R151-D210 IonicContact NH1-OD2 3.41Å; R151-D210 PolarHBondContact NH1-OD2 3.38Å; R151-D210 IonicContact NH2-OD2 2.62Å; D210-D213 HydrophobicContact CB-CB 4.12Å; D210-D213 WeakPolarHBondContact O-CA 3.24Å; D210-D213 WeakPolarHBondContact O-CB 3.49Å; D210-D213 PolarHBondContact O-N 2.89Å
211W94.1Very high95.7Very high67 Ų6725.8 Ų25.825%0.25414%0.139SC..THydrogen-bonded Turntrans-56134.4-179.2-178.2-84.1000111.6L176 F194 K196 P197 R209 R215L176-W211 HydrophobicContact CD1-CH2 3.47Å; L176-W211 VanDerWaalsContact CD1-CH2 3.47Å; L176-W211 HydrophobicContact CD1-CZ2 3.36Å; L176-W211 HydrophobicContact CD1-CZ3 4.26Å; F194-W211 AromaticContact CD2-CH2 3.59Å; F194-W211 HydrophobicContact CD2-CH2 3.59Å; F194-W211 HydrophobicContact CD2-CZ3 4.21Å; F194-W211 AromaticContact CE2-CH2 3.35Å; F194-W211 HydrophobicContact CE2-CH2 3.35Å; F194-W211 HydrophobicContact CE2-CZ2 4.43Å; F194-W211 AromaticContact CE2-CZ3 3.77Å; F194-W211 HydrophobicContact CE2-CZ3 3.77Å; K196-W211 HydrophobicContact CB-CZ2 4.27Å; P197-W211 VanDerWaalsContact CD-CE3 3.43Å; P197-W211 HydrophobicContact CG-CD2 4.35Å; P197-W211 HydrophobicContact CG-CE3 3.81Å; P197-W211 HydrophobicContact CG-CZ3 3.96Å; R209-W211 PolarHBondContact O-N 2.94Å; W211-R215 HydrophobicContact CE3-CG 4.18Å; W211-R215 HydrophobicContact CZ3-CB 4.44Å; W211-R215 HydrophobicContact CZ3-CG 3.93Å
212P94.7Very high95.9Very high48 Ų4829.5 Ų29.531%0.31216%0.159SC..THydrogen-bonded Turncis-98.523.55.538.7-35.9000114.8L176 K177 A214 R215L176-P212 HydrophobicContact CB-CB 3.88Å; L176-P212 HydrophobicContact CD1-CB 4.41Å; K177-P212 HydrophobicContact CB-CG 4.32Å; P212-A214 PolarHBondContact O-N 2.96Å; P212-R215 PolarHBondContact O-N 3.16Å
213D97.5Very high96.1Very high35 Ų3531.6 Ų31.619%0.18717%0.167CC..THydrogen-bonded Turntrans-55.3127.6-175.7-172.7-97.5000112.2R151 R152 D210 R215R151-D213 WeakPolarHBondContact CD-O 3.4Å; R152-D213 IonicContact CZ-OD1 2.76Å; R152-D213 IonicContact CZ-OD2 3.97Å; R152-D213 IonicContact NE-OD1 2.77Å; R152-D213 PolarHBondContact NE-OD1 3.29Å; R152-D213 IonicContact NE-OD2 3.16Å; R152-D213 PolarHBondContact NE-OD2 2.72Å; R152-D213 IonicContact NH2-OD1 3.48Å; R152-D213 PolarHBondContact NH2-OD1 3.08Å; R152-D213 IonicContact NH2-OD2 2.74Å; R152-D213 PolarHBondContact NH2-OD2 3.39Å; D210-D213 HydrophobicContact CB-CB 4.12Å; D210-D213 WeakPolarHBondContact O-CA 3.24Å; D210-D213 WeakPolarHBondContact O-CB 3.49Å; D210-D213 PolarHBondContact O-N 2.89Å; D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 WeakPolarHBondContact O-CD 3.21Å; D213-R215 PolarHBondContact O-N 3.43Å; D213-R215 PolarHBondContact O-NH1 3.03Å
214A97.9Very high96.2Very high1 Ų130.9 Ų30.91%0.00816%0.162CC..THydrogen-bonded Turntrans582817900000115.8R151 R152 E155 P212 N230R151-A214 HydrophobicContact CB-CB 4.35Å; R151-A214 HydrophobicContact CG-CB 3.89Å; R152-A214 HydrophobicContact CB-CB 4.39Å; R152-A214 HydrophobicContact CG-CB 3.75Å; E155-A214 HydrophobicContact CB-CB 4.07Å; E155-A214 WeakPolarHBondContact OE2-CA 3.25Å; P212-A214 PolarHBondContact O-N 2.96Å; A214-N230 WeakPolarHBondContact O-CB 3.32Å; A214-N230 PolarHBondContact O-ND2 3.17Å
215R97.8Very high96.3Very high2 Ų229.8 Ų29.81%0.00816%0.155CC..  trans-109.2148.4171.7-81.767167.3-140.9-4.9110.5L176 F194 M207 R209 W211 P212 D213 V229 N230L176-R215 WeakPolarHBondContact CB-O 3.47Å; L176-R215 HydrophobicContact CD1-CB 3.71Å; L176-R215 HydrophobicContact CG-CB 4.08Å; L176-R215 PolarHBondContact N-O 3.42Å; F194-R215 HydrophobicContact CE2-CB 4.4Å; F194-R215 HydrophobicContact CE2-CG 4.46Å; F194-R215 HydrophobicContact CZ-CB 4.28Å; M207-R215 PolarHBondContact O-NH2 3.38Å; M207-R215 VanDerWaalsContact O-NH2 3.1Å; R209-R215 PolarHBondContact O-NH1 2.73Å; R209-R215 PolarHBondContact O-NH2 2.85Å; W211-R215 HydrophobicContact CE3-CG 4.18Å; W211-R215 HydrophobicContact CZ3-CB 4.44Å; W211-R215 HydrophobicContact CZ3-CG 3.93Å; P212-R215 PolarHBondContact O-N 3.16Å; D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 WeakPolarHBondContact O-CD 3.21Å; D213-R215 PolarHBondContact O-N 3.43Å; D213-R215 PolarHBondContact O-NH1 3.03Å; R215-V229 WeakPolarHBondContact CA-O 3.43Å; R215-N230 WeakPolarHBondContact CD-O 3.45Å; R215-N230 HydrophobicContact CG-CB 4.04Å; R215-N230 WeakPolarHBondContact CG-O 3.34Å; R215-N230 PolarHBondContact NE-O 3.01Å
216G96.2Very high96.4Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-175.7178.4175.900000112.8Y173 Y174 F194 V229Y173-G216 VanDerWaalsContact OH-CA 3.28Å; Y173-G216 WeakPolarHBondContact OH-CA 3.3Å; Y173-G216 PolarHBondContact OH-N 3.16Å; Y174-G216 VanDerWaalsContact O-CA 3.27Å; Y174-G216 WeakPolarHBondContact O-CA 3.29Å; F194-G216 WeakPolarHBondContact CE1-O 3.35Å; G216-V229 PolarHBondContact N-O 2.74Å; G216-V229 PolarHBondContact O-N 2.86Å
217I96.9Very high96.5Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-124.9134.2177.4-179.9167.1000108.9Y173 Y174 M179 L187 F192 L193 F194 L226Y173-I217 WeakPolarHBondContact CD2-O 3.3Å; Y174-I217 PolarHBondContact N-O 3.09Å; Y174-I217 PolarHBondContact O-N 3.44Å; M179-I217 HydrophobicContact CE-CG2 3.81Å; L187-I217 HydrophobicContact CD1-CG2 3.91Å; F192-I217 HydrophobicContact CB-CD1 4.06Å; F192-I217 WeakPolarHBondContact O-CD1 3.07Å; L193-I217 HydrophobicContact CD1-CB 4.44Å; L193-I217 HydrophobicContact CD1-CG2 3.85Å; F194-I217 HydrophobicContact CE1-CB 4.49Å; I217-L226 HydrophobicContact CD1-CD2 4.08Å
218W97.3Very high96.6Very high0 Ų030.9 Ų30.90%016%0.158CC..EExtended strand (participates in β ladder)trans-106.3144163.4179.497.3000108.7L162 L165 F169 K172 Y173 N220 F225 L226 V227L162-W218 HydrophobicContact CB-CB 4.46Å; L162-W218 HydrophobicContact CB-CD2 4.05Å; L162-W218 HydrophobicContact CB-CG 3.81Å; L162-W218 HydrophobicContact CD1-CB 3.77Å; L162-W218 HydrophobicContact CD1-CD2 4.5Å; L162-W218 HydrophobicContact CD1-CG 4Å; L162-W218 HydrophobicContact CD2-CD2 4.3Å; L162-W218 HydrophobicContact CD2-CE3 4.35Å; L162-W218 HydrophobicContact CG-CG 4.35Å; L162-W218 PolarHBondContact O-NE1 3.11Å; L165-W218 HydrophobicContact CB-CZ2 4.31Å; L165-W218 HydrophobicContact CD1-CH2 3.73Å; L165-W218 HydrophobicContact CD1-CZ2 3.79Å; L165-W218 HydrophobicContact CD1-CZ3 4.41Å; F169-W218 WeakPolarHBondContact O-CH2 3.35Å; F169-W218 WeakPolarHBondContact O-CZ2 3.29Å; K172-W218 WeakPolarHBondContact O-CA 3.46Å; Y173-W218 HydrophobicContact CD2-CB 4Å; W218-N220 HydrophobicContact CH2-CB 4.05Å; W218-F225 AromaticContact CH2-CD1 3.96Å; W218-F225 HydrophobicContact CH2-CD1 3.96Å; W218-F225 AromaticContact CZ3-CD1 3.57Å; W218-F225 HydrophobicContact CZ3-CD1 3.57Å; W218-F225 HydrophobicContact CZ3-CE1 4.15Å; W218-L226 CarbonylContact O-C 3.58Å; W218-L226 WeakPolarHBondContact O-CA 3.09Å; W218-V227 HydrophobicContact CB-CB 4.41Å; W218-V227 HydrophobicContact CE3-CB 4.29Å; W218-V227 HydrophobicContact CE3-CG2 3.96Å; W218-V227 HydrophobicContact CZ3-CG2 4.39Å; W218-V227 PolarHBondContact N-O 3.02Å; W218-V227 PolarHBondContact O-N 2.75Å
219H97.1Very high96.7Very high11 Ų1129.6 Ų29.65%0.05115%0.148CC..EExtended strand (participates in β ladder)trans-146.9154.3166.564.775.6000111.5G171 K172 Y174 F225 L226G171-H219 CarbonylContact C-O 3.5Å; G171-H219 WeakPolarHBondContact CA-O 3.3Å; K172-H219 PolarHBondContact N-O 2.76Å; K172-H219 PolarHBondContact O-N 3.08Å; K172-H219 VanDerWaalsContact O-N 3.15Å; Y174-H219 AromaticContact CD2-NE2 3.91Å; Y174-H219 AromaticContact CE2-CD2 3.73Å; Y174-H219 AromaticContact CE2-CE1 3.76Å; Y174-H219 AromaticContact CE2-NE2 3.23Å; Y174-H219 WeakPolarHBondContact CE2-NE2 3.32Å; Y174-H219 AromaticContact CZ-NE2 3.66Å; H219-F225 WeakPolarHBondContact CA-O 3.32Å; H219-L226 HydrophobicContact CB-CB 4.26Å; H219-L226 HydrophobicContact CB-CD2 3.93Å; H219-L226 HydrophobicContact CB-CG 3.8Å
220N97.6Very high96.9Very high1 Ų127.5 Ų27.51%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-68.5162.7171.474.3-22.2000111.7E168 K170 W218 N222 K223 T224 F225E168-N220 PolarHBondContact O-ND2 2.77Å; K170-N220 CarbonylContact O-C 3.57Å; K170-N220 WeakPolarHBondContact O-CA 3.23Å; K170-N220 VanDerWaalsContact O-CB 3.32Å; K170-N220 WeakPolarHBondContact O-CB 3.3Å; W218-N220 HydrophobicContact CH2-CB 4.05Å; N220-N222 PolarHBondContact O-N 3.16Å; N220-K223 PolarHBondContact O-N 3.46Å; N220-K223 WeakPolarHBondContact OD1-CA 3.48Å; N220-K223 PolarHBondContact OD1-N 3.03Å; N220-T224 PolarHBondContact ND2-OG1 3.1Å; N220-T224 PolarHBondContact OD1-N 3.39Å; N220-F225 HydrophobicContact CB-CB 4.48Å; N220-F225 PolarHBondContact N-O 3.26Å; N220-F225 PolarHBondContact OD1-N 3.27Å; N220-F225 PolarHBondContact OD1-O 3.18Å
221D95.7Very high96.8Very high105 Ų10526.2 Ų26.256%0.56113%0.132SC*.THydrogen-bonded Turntrans-57.6-35-178-65.9-20000112K170 K223K170-D221 PolarHBondContact O-N 2.99Å; D221-K223 VanDerWaalsContact C-N 3.3Å; D221-K223 PolarHBondContact O-N 2.98Å
222N95.8Very high96.9Very high119 Ų11925 Ų2564%0.63613%0.13SC*.THydrogen-bonded Turntrans-81.7-3.1-179.7-66.9-25.8000114.2N220 T224N220-N222 PolarHBondContact O-N 3.16Å; N222-T224 HydrophobicContact CB-CG2 4.37Å; N222-T224 WeakPolarHBondContact O-CG2 3.3Å; N222-T224 PolarHBondContact O-N 3.27Å
223K94.9Very high97Very high70 Ų7022.8 Ų22.830%0.30412%0.115SC..SBendtrans56.933.2179.7-70.2166.5158.6-1600113.8D190 F192 N220 D221D190-K223 IonicContact OD2-NZ 2.69Å; D190-K223 PolarHBondContact OD2-NZ 3.3Å; F192-K223 HydrophobicContact CD2-CB 4.48Å; F192-K223 HydrophobicContact CD2-CG 4.4Å; F192-K223 HydrophobicContact CE2-CB 3.44Å; F192-K223 VanDerWaalsContact CE2-CB 3.44Å; F192-K223 HydrophobicContact CE2-CD 3.73Å; F192-K223 HydrophobicContact CE2-CG 3.63Å; F192-K223 HydrophobicContact CZ-CB 3.64Å; F192-K223 HydrophobicContact CZ-CG 4.34Å; F192-K223 WeakPolarHBondContact CZ-O 3.28Å; N220-K223 PolarHBondContact O-N 3.46Å; N220-K223 WeakPolarHBondContact OD1-CA 3.48Å; N220-K223 PolarHBondContact OD1-N 3.03Å; D221-K223 VanDerWaalsContact C-N 3.3Å; D221-K223 PolarHBondContact O-N 2.98Å
224T97.1Very high97.1Very high32 Ų3221.1 Ų21.120%0.19611%0.106CC..SBendtrans-114-8.9-179.656.30000113.7N220 N222 S239 M240 R252N220-T224 PolarHBondContact ND2-OG1 3.1Å; N220-T224 PolarHBondContact OD1-N 3.39Å; N222-T224 HydrophobicContact CB-CG2 4.37Å; N222-T224 WeakPolarHBondContact O-CG2 3.3Å; N222-T224 PolarHBondContact O-N 3.27Å; T224-S239 WeakPolarHBondContact O-CA 3.4Å; T224-M240 WeakPolarHBondContact CA-O 3.47Å; T224-M240 WeakPolarHBondContact CB-O 3.37Å; T224-M240 PolarHBondContact O-N 3.04Å; T224-R252 PolarHBondContact O-NE 3.07Å; T224-R252 PolarHBondContact OG1-NE 3.46Å
225F98.4Very high97.1Very high0 Ų021.1 Ų21.10%011%0.106CC..EExtended strand (participates in β ladder)trans-139.7123.9174.7-168.6-113.3000109.3F169 W218 H219 N220 V237 I238 R252 I260F169-F225 HydrophobicContact CD1-CB 4.34Å; F169-F225 AromaticContact CD1-CD1 3.57Å; F169-F225 HydrophobicContact CD1-CD1 3.57Å; F169-F225 AromaticContact CD1-CE1 3.96Å; F169-F225 HydrophobicContact CD1-CE1 3.96Å; F169-F225 AromaticContact CD1-CG 3.94Å; F169-F225 HydrophobicContact CD1-CG 3.94Å; F169-F225 HydrophobicContact CE1-CD1 4.15Å; F169-F225 HydrophobicContact CE1-CD2 4.4Å; F169-F225 HydrophobicContact CE1-CE1 4.39Å; F169-F225 HydrophobicContact CE1-CG 4.17Å; W218-F225 AromaticContact CH2-CD1 3.96Å; W218-F225 HydrophobicContact CH2-CD1 3.96Å; W218-F225 AromaticContact CZ3-CD1 3.57Å; W218-F225 HydrophobicContact CZ3-CD1 3.57Å; W218-F225 HydrophobicContact CZ3-CE1 4.15Å; H219-F225 WeakPolarHBondContact CA-O 3.32Å; N220-F225 HydrophobicContact CB-CB 4.48Å; N220-F225 PolarHBondContact N-O 3.26Å; N220-F225 PolarHBondContact OD1-N 3.27Å; N220-F225 PolarHBondContact OD1-O 3.18Å; F225-V237 HydrophobicContact CE1-CG1 4.34Å; F225-V237 HydrophobicContact CE2-CG1 3.54Å; F225-V237 HydrophobicContact CZ-CG1 3.34Å; F225-I238 CarbonylContact C-O 3.5Å; F225-I238 VanDerWaalsContact CA-O 3.3Å; F225-I238 WeakPolarHBondContact CA-O 3.42Å; F225-I238 VanDerWaalsContact CD2-O 3.3Å; F225-I238 WeakPolarHBondContact CD2-O 3.23Å; F225-R252 HydrophobicContact CB-CG 4.43Å; F225-R252 HydrophobicContact CD2-CG 4.4Å; F225-I260 HydrophobicContact CE1-CD1 3.89Å; F225-I260 HydrophobicContact CZ-CD1 3.93Å
226L97.8Very high97.1Very high2 Ų221.2 Ų21.21%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-134.9150.4-170.8-50.593000110.5F192 I217 W218 H219 I238 M240F192-L226 HydrophobicContact CB-CD2 3.49Å; F192-L226 VanDerWaalsContact CB-CD2 3.49Å; F192-L226 HydrophobicContact CD1-CD1 4.34Å; F192-L226 HydrophobicContact CD1-CD2 3.5Å; F192-L226 HydrophobicContact CD2-CD2 3.91Å; F192-L226 HydrophobicContact CE1-CD1 4.45Å; F192-L226 HydrophobicContact CE1-CD2 4.2Å; F192-L226 HydrophobicContact CG-CD2 3.34Å; I217-L226 HydrophobicContact CD1-CD2 4.08Å; W218-L226 CarbonylContact O-C 3.58Å; W218-L226 WeakPolarHBondContact O-CA 3.09Å; H219-L226 HydrophobicContact CB-CB 4.26Å; H219-L226 HydrophobicContact CB-CD2 3.93Å; H219-L226 HydrophobicContact CB-CG 3.8Å; L226-I238 HydrophobicContact CB-CB 4.27Å; L226-I238 HydrophobicContact CD1-CG2 4.18Å; L226-I238 PolarHBondContact N-O 2.79Å; L226-I238 PolarHBondContact O-N 3.42Å; L226-M240 HydrophobicContact CD1-CG 3.86Å; L226-M240 HydrophobicContact CD1-SD 3.95Å
227V98.1Very high97.2Very high0 Ų021.2 Ų21.20%011%0.106CC..EExtended strand (participates in β ladder)trans-134.5118.8173.6-175.10000109.5L162 W218 V229 L235 R236 V237 I260L162-V227 HydrophobicContact CD1-CB 3.96Å; L162-V227 HydrophobicContact CD1-CG1 3.94Å; L162-V227 HydrophobicContact CD1-CG2 4.44Å; L162-V227 HydrophobicContact CD2-CB 4.15Å; L162-V227 HydrophobicContact CD2-CG1 4.4Å; L162-V227 HydrophobicContact CD2-CG2 3.7Å; W218-V227 HydrophobicContact CB-CB 4.41Å; W218-V227 HydrophobicContact CE3-CB 4.29Å; W218-V227 HydrophobicContact CE3-CG2 3.96Å; W218-V227 HydrophobicContact CZ3-CG2 4.39Å; W218-V227 PolarHBondContact N-O 3.02Å; W218-V227 PolarHBondContact O-N 2.75Å; V227-V229 HydrophobicContact CG1-CG2 4.44Å; V227-L235 HydrophobicContact CG1-CB 4.22Å; V227-L235 HydrophobicContact CG1-CD2 4.02Å; V227-R236 CarbonylContact C-O 3.55Å; V227-R236 VanDerWaalsContact CA-O 3.25Å; V227-R236 WeakPolarHBondContact CA-O 3.44Å; V227-V237 HydrophobicContact CG1-CG2 4.34Å; V227-V237 HydrophobicContact CG2-CG1 4.37Å; V227-V237 HydrophobicContact CG2-CG2 4.17Å; V227-I260 HydrophobicContact CG2-CD1 4.03Å
228W97.9Very high97.3Very high32 Ų3221.3 Ų21.312%0.12111%0.107CC..EExtended strand (participates in β ladder)trans-86.4138167.5-52-22.4000109.5F192 F194 L235 R236 I238F192-W228 WeakPolarHBondContact O-CZ2 3.35Å; F192-W228 PolarHBondContact O-NE1 3.24Å; F194-W228 HydrophobicContact CB-CD2 3.99Å; F194-W228 HydrophobicContact CB-CE3 3.79Å; F194-W228 HydrophobicContact CB-CH2 3.82Å; F194-W228 HydrophobicContact CB-CZ2 4.03Å; F194-W228 HydrophobicContact CB-CZ3 3.71Å; F194-W228 HydrophobicContact CD1-CB 3.74Å; F194-W228 AromaticContact CD1-CD1 3.65Å; F194-W228 AromaticContact CD1-CD2 3.52Å; F194-W228 HydrophobicContact CD1-CD2 3.52Å; F194-W228 AromaticContact CD1-CE2 3.85Å; F194-W228 HydrophobicContact CD1-CE3 4.04Å; F194-W228 AromaticContact CD1-CG 3.39Å; F194-W228 HydrophobicContact CD1-CG 3.39Å; F194-W228 AromaticContact CD1-NE1 3.91Å; F194-W228 HydrophobicContact CE1-CB 3.64Å; F194-W228 AromaticContact CE1-CD1 4Å; F194-W228 HydrophobicContact CE1-CD2 4.35Å; F194-W228 AromaticContact CE1-CG 3.76Å; F194-W228 HydrophobicContact CE1-CG 3.76Å; F194-W228 HydrophobicContact CG-CD2 4.11Å; F194-W228 HydrophobicContact CG-CE3 4.18Å; F194-W228 HydrophobicContact CG-CG 4.37Å; W228-L235 CarbonylContact O-C 3.55Å; W228-L235 WeakPolarHBondContact O-CA 3.15Å; W228-R236 HydrophobicContact CB-CB 4.01Å; W228-R236 HydrophobicContact CD2-CB 4.39Å; W228-R236 HydrophobicContact CE3-CB 4.16Å; W228-R236 HydrophobicContact CE3-CG 4.2Å; W228-R236 HydrophobicContact CG-CB 4.35Å; W228-R236 PolarHBondContact N-O 3.42Å; W228-R236 PolarHBondContact O-N 3.11Å; W228-I238 HydrophobicContact CD2-CD1 3.92Å; W228-I238 HydrophobicContact CG-CD1 4.26Å; W228-I238 HydrophobicContact CZ2-CD1 4.08Å
229V98.3Very high97.4Very high0 Ų021.3 Ų21.30%011%0.107CC..EExtended strand (participates in β ladder)trans-115.1125.7-177.1-177.50000109.2E155 A158 L162 Y173 R215 G216 V227 E231 H234 L235E155-V229 HydrophobicContact CB-CG1 4.32Å; E155-V229 HydrophobicContact CG-CG1 4.5Å; A158-V229 HydrophobicContact CB-CG1 3.98Å; A158-V229 HydrophobicContact CB-CG2 4.06Å; L162-V229 HydrophobicContact CD1-CG2 4.34Å; Y173-V229 HydrophobicContact CE2-CB 4.18Å; Y173-V229 HydrophobicContact CE2-CG2 3.85Å; R215-V229 WeakPolarHBondContact CA-O 3.43Å; G216-V229 PolarHBondContact N-O 2.74Å; G216-V229 PolarHBondContact O-N 2.86Å; V227-V229 HydrophobicContact CG1-CG2 4.44Å; V229-E231 PolarHBondContact O-N 2.88Å; V229-H234 WeakPolarHBondContact CA-O 3.31Å; V229-L235 HydrophobicContact CG2-CD2 4.21Å
230N98Very high97.4Very high1 Ų122.1 Ų22.11%0.00511%0.111CC..SBendtrans60.436.5175.5-68.7-46.3000116.5R151 I154 A214 R215 H234R151-N230 HydrophobicContact CG-CB 3.84Å; R151-N230 VanDerWaalsContact CG-CG 3.46Å; R151-N230 WeakPolarHBondContact CG-ND2 3.19Å; R151-N230 PolarHBondContact O-ND2 3.23Å; I154-N230 WeakPolarHBondContact CG2-OD1 3.11Å; A214-N230 WeakPolarHBondContact O-CB 3.32Å; A214-N230 PolarHBondContact O-ND2 3.17Å; R215-N230 WeakPolarHBondContact CD-O 3.45Å; R215-N230 HydrophobicContact CG-CB 4.04Å; R215-N230 WeakPolarHBondContact CG-O 3.34Å; R215-N230 PolarHBondContact NE-O 3.01Å; N230-H234 PolarHBondContact N-O 3.03Å
231E94.4Very high97.3Very high24 Ų2424.4 Ų24.411%0.11212%0.121CC..SBendtrans-88.4-107172.1-165.7-85.914800110F194 V229 D233F194-E231 HydrophobicContact CB-CG 4.04Å; F194-E231 HydrophobicContact CD1-CG 4.49Å; F194-E231 HydrophobicContact CD2-CB 3.92Å; F194-E231 HydrophobicContact CD2-CG 3.27Å; F194-E231 HydrophobicContact CE2-CB 3.84Å; F194-E231 HydrophobicContact CE2-CG 3.69Å; F194-E231 HydrophobicContact CG-CB 4.31Å; F194-E231 HydrophobicContact CG-CG 3.72Å; F194-E231 HydrophobicContact CZ-CB 4.23Å; F194-E231 HydrophobicContact CZ-CG 4.48Å; V229-E231 PolarHBondContact O-N 2.88Å; E231-D233 PolarHBondContact N-O 2.91Å
232E94.8Very high97.3Very high43 Ų4327.3 Ų27.320%0.20113%0.129CC..SBendtrans-79.3-25177.5-170.7-171.4157.200112.5L202 M207 R236 T282 N286L202-E232 HydrophobicContact CD2-CB 4.31Å; L202-E232 HydrophobicContact CD2-CG 3.85Å; M207-E232 VanDerWaalsContact CE-CA 3.45Å; M207-E232 HydrophobicContact CE-CB 4.04Å; M207-E232 HydrophobicContact CE-CG 3.6Å; M207-E232 WeakPolarHBondContact CE-O 3.19Å; E232-R236 IonicContact OE1-NH2 3.51Å; E232-R236 PolarHBondContact OE1-NH2 3.43Å; E232-R236 VanDerWaalsContact OE1-NH2 3.16Å; E232-R236 IonicContact OE2-CZ 3.73Å; E232-R236 IonicContact OE2-NE 2.74Å; E232-R236 IonicContact OE2-NH2 3.27Å; E232-R236 PolarHBondContact OE2-NH2 3.22Å; E232-T282 WeakPolarHBondContact O-CB 3.42Å; E232-T282 PolarHBondContact O-OG1 3.07Å; E232-N286 PolarHBondContact OE1-ND2 3.29Å; E232-N286 VanDerWaalsContact OE1-ND2 3.08Å
233D98.4Very high97.3Very high0 Ų022.4 Ų22.40%011%0.107CC..SBendtrans-138.9171.6178.4-66.2-67.4000108.5E231 L235 R236 L281 T282E231-D233 PolarHBondContact N-O 2.91Å; D233-L235 VanDerWaalsContact C-N 3.32Å; D233-L235 PolarHBondContact O-N 2.96Å; D233-R236 IonicContact OD2-CZ 2.72Å; D233-R236 IonicContact OD2-NE 3.77Å; D233-R236 PolarHBondContact OD2-NE 3.35Å; D233-R236 IonicContact OD2-NH1 3.23Å; D233-R236 IonicContact OD2-NH2 3.84Å; D233-R236 PolarHBondContact OD2-NH2 2.99Å; D233-L281 HydrophobicContact CB-CD2 3.89Å; D233-L281 WeakPolarHBondContact OD1-CB 3.18Å; D233-L281 WeakPolarHBondContact OD1-CD2 3.42Å; D233-T282 WeakPolarHBondContact OD1-CB 3.27Å; D233-T282 PolarHBondContact OD1-N 2.68Å; D233-T282 PolarHBondContact OD1-OG1 2.94Å; D233-T282 VanDerWaalsContact OD1-OG1 3.05Å
234H98.6Very high97.4Very high0 Ų019.4 Ų19.40%010%0.095CC..SBendtrans-59.5-46.5179.5-63.4178.2000111I137 T141 I154 V229 N230I137-H234 HydrophobicContact CD1-CB 4.49Å; I137-H234 HydrophobicContact CG1-CB 4.4Å; I137-H234 PolarHBondContact N-ND1 3.26Å; T141-H234 PolarHBondContact O-CE1 3.44Å; T141-H234 PolarHBondContact O-NE2 2.91Å; I154-H234 HydrophobicContact CG2-CB 3.87Å; V229-H234 WeakPolarHBondContact CA-O 3.31Å; N230-H234 PolarHBondContact N-O 3.03Å
235L98.4Very high97.5Very high1 Ų120.5 Ų20.51%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-129.7136.3175.5-54175000110.2G134 R135 A158 V227 W228 V229 D233 F264 F271G134-L235 CarbonylContact C-O 3.53Å; G134-L235 WeakPolarHBondContact CA-O 3.37Å; R135-L235 HydrophobicContact CB-CB 4.36Å; R135-L235 HydrophobicContact CB-CD1 4.43Å; R135-L235 PolarHBondContact N-O 2.84Å; R135-L235 PolarHBondContact O-N 3.03Å; A158-L235 HydrophobicContact CB-CD2 3.69Å; V227-L235 HydrophobicContact CG1-CB 4.22Å; V227-L235 HydrophobicContact CG1-CD2 4.02Å; W228-L235 CarbonylContact O-C 3.55Å; W228-L235 WeakPolarHBondContact O-CA 3.15Å; V229-L235 HydrophobicContact CG2-CD2 4.21Å; D233-L235 VanDerWaalsContact C-N 3.32Å; D233-L235 PolarHBondContact O-N 2.96Å; L235-F264 HydrophobicContact CD1-CE2 3.69Å; L235-F264 HydrophobicContact CD1-CZ 3.86Å; L235-F271 HydrophobicContact CD1-CE1 4.01Å; L235-F271 HydrophobicContact CD1-CZ 4.28Å
236R98.2Very high97.5Very high5 Ų520.5 Ų20.52%0.01910%0.1CC..EExtended strand (participates in β ladder)trans-113.7105.5160.8-68.3-70.4-161.8177.7-8.2109.2T133 V227 W228 E232 D233 N286T133-R236 CarbonylContact O-C 3.58Å; T133-R236 VanDerWaalsContact O-CA 3.3Å; T133-R236 WeakPolarHBondContact O-CA 3.46Å; V227-R236 CarbonylContact C-O 3.55Å; V227-R236 VanDerWaalsContact CA-O 3.25Å; V227-R236 WeakPolarHBondContact CA-O 3.44Å; W228-R236 HydrophobicContact CB-CB 4.01Å; W228-R236 HydrophobicContact CD2-CB 4.39Å; W228-R236 HydrophobicContact CE3-CB 4.16Å; W228-R236 HydrophobicContact CE3-CG 4.2Å; W228-R236 HydrophobicContact CG-CB 4.35Å; W228-R236 PolarHBondContact N-O 3.42Å; W228-R236 PolarHBondContact O-N 3.11Å; E232-R236 IonicContact OE1-NH2 3.51Å; E232-R236 PolarHBondContact OE1-NH2 3.43Å; E232-R236 VanDerWaalsContact OE1-NH2 3.16Å; E232-R236 IonicContact OE2-CZ 3.73Å; E232-R236 IonicContact OE2-NE 2.74Å; E232-R236 IonicContact OE2-NH2 3.27Å; E232-R236 PolarHBondContact OE2-NH2 3.22Å; D233-R236 IonicContact OD2-CZ 2.72Å; D233-R236 IonicContact OD2-NE 3.77Å; D233-R236 PolarHBondContact OD2-NE 3.35Å; D233-R236 IonicContact OD2-NH1 3.23Å; D233-R236 IonicContact OD2-NH2 3.84Å; D233-R236 PolarHBondContact OD2-NH2 2.99Å; R236-N286 PolarHBondContact NH2-ND2 2.99Å
237V98.3Very high97.6Very high0 Ų024.7 Ų24.70%012%0.116CC..EExtended strand (participates in β ladder)trans-91.6128.8-179.1-1770000109.4R132 T133 F225 V227 L257 I260R132-V237 CarbonylContact C-O 3.54Å; R132-V237 WeakPolarHBondContact CA-O 3.49Å; T133-V237 HydrophobicContact CG2-CB 4.34Å; T133-V237 PolarHBondContact N-O 2.91Å; T133-V237 PolarHBondContact O-N 3.16Å; F225-V237 HydrophobicContact CE1-CG1 4.34Å; F225-V237 HydrophobicContact CE2-CG1 3.54Å; F225-V237 HydrophobicContact CZ-CG1 3.34Å; V227-V237 HydrophobicContact CG1-CG2 4.34Å; V227-V237 HydrophobicContact CG2-CG1 4.37Å; V227-V237 HydrophobicContact CG2-CG2 4.17Å; V237-L257 HydrophobicContact CB-CD1 4.1Å; V237-L257 HydrophobicContact CG1-CD1 4.14Å; V237-L257 HydrophobicContact CG2-CD1 3.87Å; V237-I260 HydrophobicContact CG1-CD1 4.21Å; V237-I260 HydrophobicContact CG2-CD1 4.13Å
238I98.5Very high97.6Very high2 Ų227.7 Ų27.71%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-134.3130.8-169.2-60.5156.2000109.2R130 V131 R132 F225 L226 W228 M240R130-I238 HydrophobicContact CG-CG2 4.08Å; V131-I238 CarbonylContact O-C 3.5Å; V131-I238 WeakPolarHBondContact O-CA 3.35Å; R132-I238 HydrophobicContact CB-CB 4.45Å; R132-I238 HydrophobicContact CB-CG1 3.79Å; F225-I238 CarbonylContact C-O 3.5Å; F225-I238 VanDerWaalsContact CA-O 3.3Å; F225-I238 WeakPolarHBondContact CA-O 3.42Å; F225-I238 VanDerWaalsContact CD2-O 3.3Å; F225-I238 WeakPolarHBondContact CD2-O 3.23Å; L226-I238 HydrophobicContact CB-CB 4.27Å; L226-I238 HydrophobicContact CD1-CG2 4.18Å; L226-I238 PolarHBondContact N-O 2.79Å; L226-I238 PolarHBondContact O-N 3.42Å; W228-I238 HydrophobicContact CD2-CD1 3.92Å; W228-I238 HydrophobicContact CG-CD1 4.26Å; W228-I238 HydrophobicContact CZ2-CD1 4.08Å; I238-M240 HydrophobicContact CG2-CG 4.41Å; I238-M240 HydrophobicContact CG2-SD 4.16Å
239S98.6Very high97.6Very high0 Ų026.1 Ų26.10%012%0.124CC..EExtended strand (participates in β ladder)trans-115.5135163-177.10000108.6R130 V131 T224 V249 R252R130-S239 CarbonylContact C-O 3.51Å; R130-S239 WeakPolarHBondContact CA-O 3.28Å; V131-S239 PolarHBondContact N-O 2.89Å; V131-S239 PolarHBondContact O-N 2.82Å; T224-S239 WeakPolarHBondContact O-CA 3.4Å; S239-V249 VanDerWaalsContact CB-O 3.28Å; S239-V249 WeakPolarHBondContact CB-O 3.49Å; S239-V249 VanDerWaalsContact O-CG1 3.27Å; S239-V249 WeakPolarHBondContact O-CG1 3.1Å; S239-V249 PolarHBondContact OG-O 3.15Å; S239-R252 PolarHBondContact OG-NE 2.8Å; S239-R252 VanDerWaalsContact OG-NE 3.17Å; S239-R252 PolarHBondContact OG-NH2 3.2Å
240M97.4Very high97.6Very high28 Ų2826.1 Ų26.114%0.13812%0.124CC..EExtended strand (participates in β ladder)trans-153.6159.4177.561.1-169.5-7200112.8S129 R130 F192 T224 L226 I238 R252S129-M240 VanDerWaalsContact O-CA 3.28Å; S129-M240 WeakPolarHBondContact O-CA 3.43Å; R130-M240 HydrophobicContact CB-CB 3.9Å; R130-M240 HydrophobicContact CG-CB 3.96Å; F192-M240 HydrophobicContact CD1-CE 4.31Å; F192-M240 HydrophobicContact CD1-SD 3.94Å; F192-M240 HydrophobicContact CE1-CE 3.92Å; F192-M240 HydrophobicContact CE1-CG 4.43Å; F192-M240 HydrophobicContact CE1-SD 3.79Å; T224-M240 WeakPolarHBondContact CA-O 3.47Å; T224-M240 WeakPolarHBondContact CB-O 3.37Å; T224-M240 PolarHBondContact O-N 3.04Å; L226-M240 HydrophobicContact CD1-CG 3.86Å; L226-M240 HydrophobicContact CD1-SD 3.95Å; I238-M240 HydrophobicContact CG2-CG 4.41Å; I238-M240 HydrophobicContact CG2-SD 4.16Å; M240-R252 PolarHBondContact O-NH2 2.78Å
241Q95.8Very high97.7Very high49 Ų4928.5 Ų28.523%0.22913%0.133CC..EExtended strand (participates in β ladder)trans-159.8166.5168.267.8-162.66300111.1S128 S129 V249S128-Q241 VanDerWaalsContact CA-O 3.3Å; S128-Q241 WeakPolarHBondContact CA-O 3.35Å; S128-Q241 VanDerWaalsContact CB-O 3.32Å; S128-Q241 WeakPolarHBondContact CB-O 3.27Å; S129-Q241 PolarHBondContact N-O 3.23Å; S129-Q241 PolarHBondContact O-N 3.28Å; Q241-V249 HydrophobicContact CB-CG2 4.37Å; Q241-V249 HydrophobicContact CG-CG2 3.46Å; Q241-V249 VanDerWaalsContact CG-CG2 3.46Å
242K95.5Very high97.9Very high165 Ų16527.7 Ų27.772%0.71713%0.129SC*.EExtended strand (participates in β ladder)trans-70.2152.5168.8-63.5-65-174.6-179.40110.9
243G96.4Very high98.1Very high17 Ų1725.7 Ų25.718%0.17512%0.119CC..SBendtrans78.3-169.5-179.400000114.5L127 S128 S129L127-G243 PolarHBondContact O-N 3.13Å; S128-G243 CarbonylContact C-O 3.56Å; S129-G243 PolarHBondContact N-O 3.08Å; S129-G243 PolarHBondContact OG-O 2.81Å
244G97.3Very high98.1Very high6 Ų625.7 Ų25.76%0.06212%0.119CC..SBendtrans-104.813-165.100000117.3L121 M246L121-G244 VanDerWaalsContact CB-O 3.23Å; L121-G244 WeakPolarHBondContact CB-O 3.38Å; L121-G244 VanDerWaalsContact CG-O 3.31Å; L121-G244 WeakPolarHBondContact CG-O 2.82Å; L121-G244 PolarHBondContact N-O 3.28Å; L121-G244 WeakPolarHBondContact O-CA 3.47Å; G244-M246 VanDerWaalsContact C-N 3.26Å; G244-M246 PolarHBondContact O-N 2.99Å
245N98.6Very high98.1Very high55 Ų5527.4 Ų27.429%0.29413%0.129SC..  trans-82.272.7177.4-168-21.2000110.9G118 D119 R247 E248 V249G118-N245 CarbonylContact O-C 3.57Å; D119-N245 WeakPolarHBondContact CA-OD1 3.48Å; N245-R247 PolarHBondContact O-N 2.99Å; N245-E248 HydrophobicContact CB-CB 4.4Å; N245-E248 PolarHBondContact O-N 3.43Å; N245-E248 VanDerWaalsContact OD1-CB 3.27Å; N245-E248 WeakPolarHBondContact OD1-CB 3.45Å; N245-E248 PolarHBondContact OD1-N 3Å; N245-V249 WeakPolarHBondContact O-CG2 3.39Å; N245-V249 PolarHBondContact O-N 3.35Å
246M98.7Very high98Very high0 Ų027.3 Ų27.30%013%0.129CC..Hα-helixtrans-60.5-33.2175.1-178.658.973.700112G118 L121 V131 G244 E248 V249 F250 G294 V295 V350 V353 V354G118-M246 WeakPolarHBondContact O-CA 3.43Å; G118-M246 WeakPolarHBondContact O-CB 3.44Å; G118-M246 PolarHBondContact O-N 2.93Å; L121-M246 HydrophobicContact CD1-CB 4.05Å; V131-M246 HydrophobicContact CG2-SD 3.59Å; V131-M246 VanDerWaalsContact CG2-SD 3.59Å; G244-M246 VanDerWaalsContact C-N 3.26Å; G244-M246 PolarHBondContact O-N 2.99Å; M246-E248 PolarHBondContact O-N 3.41Å; M246-V249 WeakPolarHBondContact O-CB 3.41Å; M246-V249 PolarHBondContact O-N 3.03Å; M246-V249 HydrophobicContact SD-CB 4.44Å; M246-V249 HydrophobicContact SD-CG1 4.49Å; M246-F250 WeakPolarHBondContact O-CB 3.33Å; M246-F250 PolarHBondContact O-N 3.22Å; M246-G294 VanDerWaalsContact CE-O 3.3Å; M246-G294 WeakPolarHBondContact CE-O 3.3Å; M246-V295 HydrophobicContact CE-CG1 3.85Å; M246-V350 HydrophobicContact CG-CG1 3.81Å; M246-V350 HydrophobicContact SD-CG1 4.34Å; M246-V353 HydrophobicContact CE-CG1 4.44Å; M246-V354 HydrophobicContact CB-CG2 4.18Å; M246-V354 HydrophobicContact CG-CG2 3.92Å
247R98.7Very high97.9Very high91 Ų9127.1 Ų27.134%0.34313%0.128SC..Hα-helixtrans-61-45.4178.8-170.8174.2-163.3-176.13.9112.2L115 G118 D119 N245 F250 R251L115-R247 HydrophobicContact CD2-CB 4.18Å; L115-R247 HydrophobicContact CD2-CG 4.22Å; G118-R247 PolarHBondContact O-N 2.81Å; D119-R247 HydrophobicContact CB-CB 4.05Å; N245-R247 PolarHBondContact O-N 2.99Å; R247-F250 PolarHBondContact O-N 2.87Å; R247-R251 WeakPolarHBondContact O-CB 3.41Å; R247-R251 PolarHBondContact O-N 3.22Å
248E98.7Very high97.8Very high62 Ų6231 Ų3129%0.2915%0.147SC..Hα-helixtrans-68.4-38.4177.1177.852.8-155.500112N245 M246 F250 R251 R252N245-E248 HydrophobicContact CB-CB 4.4Å; N245-E248 PolarHBondContact O-N 3.43Å; N245-E248 VanDerWaalsContact OD1-CB 3.27Å; N245-E248 WeakPolarHBondContact OD1-CB 3.45Å; N245-E248 PolarHBondContact OD1-N 3Å; M246-E248 PolarHBondContact O-N 3.41Å; E248-F250 VanDerWaalsContact C-N 3.31Å; E248-F250 PolarHBondContact O-N 2.86Å; E248-R251 PolarHBondContact O-N 3.06Å; E248-R251 IonicContact OE1-CZ 3.83Å; E248-R251 IonicContact OE1-NE 3.76Å; E248-R251 PolarHBondContact OE1-NE 3.23Å; E248-R251 IonicContact OE1-NH2 2.74Å; E248-R251 PolarHBondContact OE1-NH2 3.36Å; E248-R251 IonicContact OE2-CZ 2.7Å; E248-R251 IonicContact OE2-NE 2.77Å; E248-R251 PolarHBondContact OE2-NE 3.05Å; E248-R251 IonicContact OE2-NH2 2.82Å; E248-R252 WeakPolarHBondContact O-CB 3.3Å; E248-R252 PolarHBondContact O-N 2.84Å; E248-R252 VanDerWaalsContact O-N 3.08Å; E248-R252 PolarHBondContact O-NH1 3.15Å; E248-R252 IonicContact OE1-NH1 3.58Å
249V98.8Very high97.6Very high0 Ų033.9 Ų33.90%016%0.159CC..Hα-helixtrans-58.3-46.1171.91750000110.8V131 S239 Q241 N245 M246 F253V131-V249 HydrophobicContact CB-CG1 4.19Å; V131-V249 HydrophobicContact CG2-CG1 3.87Å; S239-V249 VanDerWaalsContact CB-O 3.28Å; S239-V249 WeakPolarHBondContact CB-O 3.49Å; S239-V249 VanDerWaalsContact O-CG1 3.27Å; S239-V249 WeakPolarHBondContact O-CG1 3.1Å; S239-V249 PolarHBondContact OG-O 3.15Å; Q241-V249 HydrophobicContact CB-CG2 4.37Å; Q241-V249 HydrophobicContact CG-CG2 3.46Å; Q241-V249 VanDerWaalsContact CG-CG2 3.46Å; N245-V249 WeakPolarHBondContact O-CG2 3.39Å; N245-V249 PolarHBondContact O-N 3.35Å; M246-V249 WeakPolarHBondContact O-CB 3.41Å; M246-V249 PolarHBondContact O-N 3.03Å; M246-V249 HydrophobicContact SD-CB 4.44Å; M246-V249 HydrophobicContact SD-CG1 4.49Å; V249-F253 WeakPolarHBondContact O-CB 3.48Å; V249-F253 PolarHBondContact O-N 2.99Å
250F98.8Very high97.4Very high0 Ų033.9 Ų33.90%016%0.159CC..Hα-helixtrans-71.9-36.6-177.8-173-127.8000112.9F112 L115 V131 M246 R247 E248 F253 C254 L291 E346 V347 V350F112-F250 HydrophobicContact CB-CD1 3.83Å; F112-F250 HydrophobicContact CB-CE1 4.06Å; L115-F250 HydrophobicContact CB-CD1 4.31Å; L115-F250 HydrophobicContact CD2-CB 4.38Å; L115-F250 HydrophobicContact CD2-CD1 3.98Å; V131-F250 HydrophobicContact CG1-CD2 4.26Å; V131-F250 HydrophobicContact CG2-CB 4.45Å; V131-F250 HydrophobicContact CG2-CD2 4.33Å; M246-F250 WeakPolarHBondContact O-CB 3.33Å; M246-F250 PolarHBondContact O-N 3.22Å; R247-F250 PolarHBondContact O-N 2.87Å; E248-F250 VanDerWaalsContact C-N 3.31Å; E248-F250 PolarHBondContact O-N 2.86Å; F250-F253 AromaticContact CD2-CD1 3.95Å; F250-F253 HydrophobicContact CD2-CD1 3.95Å; F250-F253 AromaticContact CE2-CD1 3.96Å; F250-F253 HydrophobicContact CE2-CD1 3.96Å; F250-F253 HydrophobicContact CE2-CE1 4.38Å; F250-F253 WeakPolarHBondContact O-CB 3.43Å; F250-F253 PolarHBondContact O-N 2.98Å; F250-C254 WeakPolarHBondContact CE2-SG 3.47Å; F250-C254 WeakPolarHBondContact CZ-SG 3.31Å; F250-C254 PolarHBondContact O-N 3.16Å; F250-C254 PolarHBondContact O-SG 3.08Å; F250-L291 HydrophobicContact CE2-CD1 4Å; F250-E346 HydrophobicContact CE2-CB 4.04Å; F250-E346 HydrophobicContact CZ-CB 3.88Å; F250-V347 HydrophobicContact CE1-CG2 3.8Å; F250-V347 HydrophobicContact CZ-CG2 4.08Å; F250-V350 HydrophobicContact CB-CG1 4.32Å; F250-V350 HydrophobicContact CD1-CG1 4.33Å; F250-V350 HydrophobicContact CD2-CB 4.47Å; F250-V350 HydrophobicContact CD2-CG2 3.73Å; F250-V350 HydrophobicContact CE2-CG2 3.74Å; F250-V350 HydrophobicContact CG-CB 4.46Å; F250-V350 HydrophobicContact CG-CG1 4.15Å; F250-V350 HydrophobicContact CG-CG2 4.17Å; F250-V350 HydrophobicContact CZ-CG2 4.19Å
251R98.8Very high97.2Very high50 Ų5034 Ų3419%0.18916%0.159CC..Hα-helixtrans-55-57.3170-179.8-161.572.171.54.8110.7F112 E168 R247 E248 F253 C254 V255F112-R251 HydrophobicContact CD1-CB 4.39Å; F112-R251 HydrophobicContact CD1-CG 4.03Å; F112-R251 HydrophobicContact CD2-CB 3.7Å; F112-R251 HydrophobicContact CD2-CG 3.7Å; F112-R251 HydrophobicContact CE1-CG 3.84Å; F112-R251 HydrophobicContact CE2-CB 4.05Å; F112-R251 HydrophobicContact CE2-CG 3.53Å; F112-R251 HydrophobicContact CG-CB 3.92Å; F112-R251 HydrophobicContact CG-CG 3.98Å; F112-R251 HydrophobicContact CZ-CG 3.62Å; E168-R251 IonicContact OE1-CZ 3.87Å; E168-R251 IonicContact OE1-NH1 3.22Å; E168-R251 PolarHBondContact OE1-NH1 3.31Å; E168-R251 IonicContact OE1-NH2 2.67Å; E168-R251 PolarHBondContact OE1-NH2 3.27Å; E168-R251 IonicContact OE2-CZ 2.92Å; E168-R251 IonicContact OE2-NH1 3.02Å; E168-R251 IonicContact OE2-NH2 3.78Å; E168-R251 PolarHBondContact OE2-NH2 2.99Å; R247-R251 WeakPolarHBondContact O-CB 3.41Å; R247-R251 PolarHBondContact O-N 3.22Å; E248-R251 PolarHBondContact O-N 3.06Å; E248-R251 IonicContact OE1-CZ 3.83Å; E248-R251 IonicContact OE1-NE 3.76Å; E248-R251 PolarHBondContact OE1-NE 3.23Å; E248-R251 IonicContact OE1-NH2 2.74Å; E248-R251 PolarHBondContact OE1-NH2 3.36Å; E248-R251 IonicContact OE2-CZ 2.7Å; E248-R251 IonicContact OE2-NE 2.77Å; E248-R251 PolarHBondContact OE2-NE 3.05Å; E248-R251 IonicContact OE2-NH2 2.82Å; R251-F253 PolarHBondContact O-N 2.86Å; R251-C254 PolarHBondContact O-N 3.09Å; R251-V255 HydrophobicContact CG-CG2 4.41Å; R251-V255 WeakPolarHBondContact O-CG2 3.2Å; R251-V255 PolarHBondContact O-N 3.09Å
252R98.8Very high97Very high8 Ų836.9 Ų36.93%0.0317%0.173CC..Hα-helixtrans-59.5-38.6-179.6-177.2171.557.3-99.23.8111.6F169 T224 F225 S239 M240 E248 G256F169-R252 HydrophobicContact CE1-CG 3.62Å; F169-R252 WeakPolarHBondContact CE1-O 3.49Å; F169-R252 HydrophobicContact CZ-CG 4.15Å; T224-R252 PolarHBondContact O-NE 3.07Å; T224-R252 PolarHBondContact OG1-NE 3.46Å; F225-R252 HydrophobicContact CB-CG 4.43Å; F225-R252 HydrophobicContact CD2-CG 4.4Å; S239-R252 PolarHBondContact OG-NE 2.8Å; S239-R252 VanDerWaalsContact OG-NE 3.17Å; S239-R252 PolarHBondContact OG-NH2 3.2Å; M240-R252 PolarHBondContact O-NH2 2.78Å; E248-R252 WeakPolarHBondContact O-CB 3.3Å; E248-R252 PolarHBondContact O-N 2.84Å; E248-R252 VanDerWaalsContact O-N 3.08Å; E248-R252 PolarHBondContact O-NH1 3.15Å; E248-R252 IonicContact OE1-NH1 3.58Å; R252-G256 PolarHBondContact O-N 2.98Å
253F98.8Very high96.6Very high1 Ų130 Ų300%0.00414%0.143CC..Hα-helixtrans-58.7-53.8173.9174.8-96.7000112.1L110 V131 T133 V249 F250 R251 L257 L291L110-F253 HydrophobicContact CD2-CE1 4.08Å; V131-F253 HydrophobicContact CB-CB 4.29Å; V131-F253 HydrophobicContact CB-CD2 4.16Å; V131-F253 HydrophobicContact CB-CG 4.11Å; V131-F253 HydrophobicContact CG1-CB 4.31Å; V131-F253 HydrophobicContact CG1-CD1 3.76Å; V131-F253 HydrophobicContact CG1-CD2 3.75Å; V131-F253 HydrophobicContact CG1-CE1 3.95Å; V131-F253 HydrophobicContact CG1-CE2 3.93Å; V131-F253 HydrophobicContact CG1-CG 3.66Å; V131-F253 HydrophobicContact CG1-CZ 4.02Å; T133-F253 HydrophobicContact CG2-CE2 3.74Å; T133-F253 HydrophobicContact CG2-CZ 3.47Å; T133-F253 VanDerWaalsContact CG2-CZ 3.47Å; V249-F253 WeakPolarHBondContact O-CB 3.48Å; V249-F253 PolarHBondContact O-N 2.99Å; F250-F253 AromaticContact CD2-CD1 3.95Å; F250-F253 HydrophobicContact CD2-CD1 3.95Å; F250-F253 AromaticContact CE2-CD1 3.96Å; F250-F253 HydrophobicContact CE2-CD1 3.96Å; F250-F253 HydrophobicContact CE2-CE1 4.38Å; F250-F253 WeakPolarHBondContact O-CB 3.43Å; F250-F253 PolarHBondContact O-N 2.98Å; R251-F253 PolarHBondContact O-N 2.86Å; F253-L257 HydrophobicContact CE1-CD2 3.92Å; F253-L257 HydrophobicContact CE2-CD2 4.42Å; F253-L257 HydrophobicContact CZ-CD2 3.74Å; F253-L257 WeakPolarHBondContact O-CB 3.06Å; F253-L257 PolarHBondContact O-N 2.63Å; F253-L291 HydrophobicContact CE1-CD1 3.92Å; F253-L291 HydrophobicContact CZ-CD1 4.31Å
254C98.5Very high96.1Very high0 Ų029.3 Ų29.30%014%0.136CC..Hα-helixtrans-63.4-49.4-176.9-66.60000111.6L110 F112 F250 R251 G256 L257 Q258L110-C254 HydrophobicContact CB-CB 4.44Å; L110-C254 VanDerWaalsContact O-CB 3.31Å; L110-C254 WeakPolarHBondContact O-CB 3.35Å; L110-C254 PolarHBondContact O-SG 3.28Å; F112-C254 HydrophobicContact CB-CB 4.23Å; F112-C254 HydrophobicContact CD1-CB 4.2Å; F250-C254 WeakPolarHBondContact CE2-SG 3.47Å; F250-C254 WeakPolarHBondContact CZ-SG 3.31Å; F250-C254 PolarHBondContact O-N 3.16Å; F250-C254 PolarHBondContact O-SG 3.08Å; R251-C254 PolarHBondContact O-N 3.09Å; C254-G256 PolarHBondContact O-N 2.71Å; C254-L257 PolarHBondContact O-N 3.03Å; C254-Q258 WeakPolarHBondContact O-CB 3.42Å; C254-Q258 VanDerWaalsContact O-CG 3.31Å; C254-Q258 WeakPolarHBondContact O-CG 3.45Å; C254-Q258 PolarHBondContact O-N 3.12Å
255V98.4Very high95.7Very high35 Ų3534.7 Ų34.721%0.21216%0.157CC..Hα-helixtrans-62.7-45.9-179.6176.70000110.8F112 F169 R251 L257 Q258 K259F112-V255 HydrophobicContact CD1-CG2 4.32Å; F112-V255 HydrophobicContact CE1-CG2 3.93Å; F169-V255 HydrophobicContact CE2-CB 4.29Å; F169-V255 HydrophobicContact CE2-CG1 3.59Å; F169-V255 HydrophobicContact CZ-CB 3.93Å; F169-V255 HydrophobicContact CZ-CG1 3.76Å; R251-V255 HydrophobicContact CG-CG2 4.41Å; R251-V255 WeakPolarHBondContact O-CG2 3.2Å; R251-V255 PolarHBondContact O-N 3.09Å; V255-L257 PolarHBondContact O-N 3.43Å; V255-Q258 PolarHBondContact O-N 2.84Å; V255-K259 WeakPolarHBondContact O-CG 3.38Å; V255-K259 PolarHBondContact O-N 2.85Å
256G97.6Very high95Very high0 Ų039.6 Ų39.60%018%0.176CC..Hα-helixtrans-64-41.5179.200000112.4F169 R252 C254 K259 I260F169-G256 VanDerWaalsContact CE1-CA 3.43Å; R252-G256 PolarHBondContact O-N 2.98Å; C254-G256 PolarHBondContact O-N 2.71Å; G256-K259 PolarHBondContact O-N 3.16Å; G256-I260 VanDerWaalsContact O-CG1 3.29Å; G256-I260 WeakPolarHBondContact O-CG1 3.5Å; G256-I260 PolarHBondContact O-N 3.01Å
257L96.1Very high93.9Very high0 Ų043.3 Ų43.30%019%0.193CC..Hα-helixtrans-67.4-40.8178.9-171.862000112.5L110 T133 R135 V237 F253 C254 V255 I260 E261L110-L257 HydrophobicContact CD1-CD2 4.16Å; L110-L257 HydrophobicContact CD2-CD2 4.21Å; T133-L257 HydrophobicContact CG2-CD1 4.23Å; T133-L257 HydrophobicContact CG2-CD2 3.87Å; R135-L257 HydrophobicContact CG-CD1 4.08Å; V237-L257 HydrophobicContact CB-CD1 4.1Å; V237-L257 HydrophobicContact CG1-CD1 4.14Å; V237-L257 HydrophobicContact CG2-CD1 3.87Å; F253-L257 HydrophobicContact CE1-CD2 3.92Å; F253-L257 HydrophobicContact CE2-CD2 4.42Å; F253-L257 HydrophobicContact CZ-CD2 3.74Å; F253-L257 WeakPolarHBondContact O-CB 3.06Å; F253-L257 PolarHBondContact O-N 2.63Å; C254-L257 PolarHBondContact O-N 3.03Å; V255-L257 PolarHBondContact O-N 3.43Å; L257-I260 PolarHBondContact O-N 3.25Å; L257-E261 WeakPolarHBondContact O-CB 3.47Å; L257-E261 PolarHBondContact O-N 3.14Å
258Q95.2Very high93.1Very high82 Ų8246.3 Ų46.338%0.38322%0.216SC..Hα-helixtrans-62.3-44.8173.8-74.6171.9-29.800111.4L110 C254 V255 I260 E261 E262L110-Q258 HydrophobicContact CD1-CG 4.5Å; C254-Q258 WeakPolarHBondContact O-CB 3.42Å; C254-Q258 VanDerWaalsContact O-CG 3.31Å; C254-Q258 WeakPolarHBondContact O-CG 3.45Å; C254-Q258 PolarHBondContact O-N 3.12Å; V255-Q258 PolarHBondContact O-N 2.84Å; Q258-I260 PolarHBondContact O-N 3.34Å; Q258-E261 PolarHBondContact O-N 2.88Å; Q258-E262 WeakPolarHBondContact O-CG 3.39Å; Q258-E262 PolarHBondContact O-N 3.1Å
259K95.3Very high92.3Very high63 Ų6345.5 Ų45.527%0.27421%0.212SC..Hα-helixtrans-57.1-47.1173.7-78.6-169.7168.9-159.50111.9L165 D166 F169 V255 G256 E262 I263L165-K259 HydrophobicContact CD2-CB 3.85Å; L165-K259 HydrophobicContact CD2-CD 4.3Å; D166-K259 IonicContact OD1-NZ 2.75Å; D166-K259 PolarHBondContact OD1-NZ 3.19Å; F169-K259 HydrophobicContact CD2-CD 3.79Å; F169-K259 HydrophobicContact CE2-CD 4.09Å; V255-K259 WeakPolarHBondContact O-CG 3.38Å; V255-K259 PolarHBondContact O-N 2.85Å; G256-K259 PolarHBondContact O-N 3.16Å; K259-E262 PolarHBondContact O-N 3.41Å; K259-I263 VanDerWaalsContact O-CD1 3.3Å; K259-I263 WeakPolarHBondContact O-CD1 3.47Å; K259-I263 VanDerWaalsContact O-CG1 3.23Å; K259-I263 WeakPolarHBondContact O-CG1 3.28Å; K259-I263 PolarHBondContact O-N 3.37Å; K259-I263 VanDerWaalsContact O-N 3.13Å
260I94.1Very high91.9Very high0 Ų046.8 Ų46.80%023%0.225CC..Hα-helixtrans-59.2-48.9176.7-69.5168.5000110.1L162 L165 F225 V227 V237 G256 L257 Q258 E262 I263 F264 F271L162-I260 HydrophobicContact CD2-CD1 3.82Å; L162-I260 HydrophobicContact CD2-CG1 4.04Å; L165-I260 HydrophobicContact CD1-CG1 4.14Å; L165-I260 HydrophobicContact CD2-CG1 4.48Å; F225-I260 HydrophobicContact CE1-CD1 3.89Å; F225-I260 HydrophobicContact CZ-CD1 3.93Å; V227-I260 HydrophobicContact CG2-CD1 4.03Å; V237-I260 HydrophobicContact CG1-CD1 4.21Å; V237-I260 HydrophobicContact CG2-CD1 4.13Å; G256-I260 VanDerWaalsContact O-CG1 3.29Å; G256-I260 WeakPolarHBondContact O-CG1 3.5Å; G256-I260 PolarHBondContact O-N 3.01Å; L257-I260 PolarHBondContact O-N 3.25Å; Q258-I260 PolarHBondContact O-N 3.34Å; I260-E262 PolarHBondContact O-N 3.05Å; I260-I263 PolarHBondContact O-N 2.88Å; I260-I263 VanDerWaalsContact O-N 3.16Å; I260-F264 HydrophobicContact CG2-CD2 3.61Å; I260-F264 HydrophobicContact CG2-CE2 3.71Å; I260-F264 WeakPolarHBondContact O-CD2 3.32Å; I260-F264 PolarHBondContact O-N 2.9Å; I260-F271 HydrophobicContact CG2-CZ 4.02Å
261E92.4Very high91.7Very high29 Ų2947.4 Ų47.414%0.13623%0.228CC..Hα-helixtrans-61.5-41.2-179-169.6171.3152.300112.7L257 Q258 I263 F264 K265 F271 Y279L257-E261 WeakPolarHBondContact O-CB 3.47Å; L257-E261 PolarHBondContact O-N 3.14Å; Q258-E261 PolarHBondContact O-N 2.88Å; E261-I263 VanDerWaalsContact C-N 3.3Å; E261-I263 PolarHBondContact O-N 3.49Å; E261-F264 PolarHBondContact O-N 3.37Å; E261-K265 HydrophobicContact CG-CD 4.32Å; E261-K265 WeakPolarHBondContact O-CB 3.47Å; E261-K265 WeakPolarHBondContact O-CG 3.46Å; E261-K265 PolarHBondContact O-N 2.75Å; E261-K265 WeakPolarHBondContact OE1-CE 3.1Å; E261-K265 IonicContact OE1-NZ 2.72Å; E261-K265 PolarHBondContact OE1-NZ 3.29Å; E261-F271 HydrophobicContact CB-CD2 4.22Å; E261-F271 HydrophobicContact CB-CE2 3.7Å; E261-F271 HydrophobicContact CG-CD2 3.75Å; E261-F271 HydrophobicContact CG-CE2 3.75Å; E261-Y279 PolarHBondContact OE2-OH 2.68Å
262E91.3Very high91.7Very high111 Ų11145.1 Ų45.152%0.51922%0.22SC..Hα-helixtrans-59.5-41174.5-75.7176.9-16800112.2Q258 K259 I260 K266Q258-E262 WeakPolarHBondContact O-CG 3.39Å; Q258-E262 PolarHBondContact O-N 3.1Å; K259-E262 PolarHBondContact O-N 3.41Å; I260-E262 PolarHBondContact O-N 3.05Å; E262-K266 VanDerWaalsContact O-CG 3.3Å; E262-K266 WeakPolarHBondContact O-CG 3.47Å; E262-K266 PolarHBondContact O-N 3.44Å
263I86.6Confident91.7Very high19 Ų1950.2 Ų50.210%0.09724%0.239CC..Hα-helixtrans-67.3-45.7178.6-63.3157.1000110.4A161 S164 L165 K259 I260 E261 K265 K266 H267A161-I263 HydrophobicContact CB-CB 4.26Å; A161-I263 HydrophobicContact CB-CG2 3.55Å; S164-I263 WeakPolarHBondContact OG-CD1 3.41Å; L165-I263 HydrophobicContact CD2-CD1 3.76Å; L165-I263 HydrophobicContact CG-CD1 4.35Å; K259-I263 VanDerWaalsContact O-CD1 3.3Å; K259-I263 WeakPolarHBondContact O-CD1 3.47Å; K259-I263 VanDerWaalsContact O-CG1 3.23Å; K259-I263 WeakPolarHBondContact O-CG1 3.28Å; K259-I263 PolarHBondContact O-N 3.37Å; K259-I263 VanDerWaalsContact O-N 3.13Å; I260-I263 PolarHBondContact O-N 2.88Å; I260-I263 VanDerWaalsContact O-N 3.16Å; E261-I263 VanDerWaalsContact C-N 3.3Å; E261-I263 PolarHBondContact O-N 3.49Å; I263-K265 VanDerWaalsContact C-N 3.35Å; I263-K265 PolarHBondContact O-N 2.83Å; I263-K266 WeakPolarHBondContact O-CB 3.27Å; I263-K266 PolarHBondContact O-N 3.04Å; I263-H267 PolarHBondContact O-N 3.21Å; I263-H267 PolarHBondContact O-ND1 3.03Å
264F87.8Confident91.6Very high4 Ų452.8 Ų52.82%0.01825%0.252CS..Hα-helixtrans-60-43.5176.8-92.2-76.4000112I137 L157 A158 A161 L235 I260 E261 K266 H267 H269 F271I137-F264 HydrophobicContact CD1-CD1 4.45Å; I137-F264 HydrophobicContact CD1-CE1 3.51Å; I137-F264 HydrophobicContact CD1-CZ 3.93Å; I137-F264 HydrophobicContact CG1-CD1 4.35Å; I137-F264 HydrophobicContact CG1-CE1 3.82Å; I137-F264 HydrophobicContact CG1-CZ 4.33Å; I137-F264 HydrophobicContact CG2-CE1 4.49Å; L157-F264 HydrophobicContact CB-CE1 4.11Å; A158-F264 HydrophobicContact CB-CZ 4.49Å; A161-F264 HydrophobicContact CB-CD2 4.16Å; A161-F264 HydrophobicContact CB-CE2 3.8Å; A161-F264 HydrophobicContact CB-CZ 4.22Å; L235-F264 HydrophobicContact CD1-CE2 3.69Å; L235-F264 HydrophobicContact CD1-CZ 3.86Å; I260-F264 HydrophobicContact CG2-CD2 3.61Å; I260-F264 HydrophobicContact CG2-CE2 3.71Å; I260-F264 WeakPolarHBondContact O-CD2 3.32Å; I260-F264 PolarHBondContact O-N 2.9Å; E261-F264 PolarHBondContact O-N 3.37Å; F264-K266 PolarHBondContact O-N 2.94Å; F264-H267 PolarHBondContact O-N 2.95Å; F264-H267 VanDerWaalsContact O-N 3.11Å; F264-H269 CarbonylContact C-O 3.57Å; F264-H269 VanDerWaalsContact CB-O 3.29Å; F264-H269 WeakPolarHBondContact CB-O 2.87Å; F264-H269 HydrophobicContact CD1-CB 4.1Å; F264-H269 CarbonylContact O-C 3.54Å; F264-H269 PolarHBondContact O-N 2.88Å; F264-F271 HydrophobicContact CB-CE1 4.41Å; F264-F271 HydrophobicContact CB-CZ 4.44Å; F264-F271 HydrophobicContact CD1-CE1 4.46Å; F264-F271 AromaticContact CD2-CE1 3.94Å; F264-F271 HydrophobicContact CD2-CE1 3.94Å; F264-F271 AromaticContact CD2-CZ 3.85Å; F264-F271 HydrophobicContact CD2-CZ 3.85Å; F264-F271 HydrophobicContact CE2-CE1 4.32Å; F264-F271 HydrophobicContact CE2-CZ 4.4Å; F264-F271 HydrophobicContact CG-CE1 4.01Å; F264-F271 HydrophobicContact CG-CZ 4.22Å
265K87.4Confident91.6Very high118 Ų11857.6 Ų57.651%0.51328%0.275SS..Hα-helixtrans-59.8-41.3173.9-76.3176-178.2166.10112.8E261 I263 H267 N268E261-K265 HydrophobicContact CG-CD 4.32Å; E261-K265 WeakPolarHBondContact O-CB 3.47Å; E261-K265 WeakPolarHBondContact O-CG 3.46Å; E261-K265 PolarHBondContact O-N 2.75Å; E261-K265 WeakPolarHBondContact OE1-CE 3.1Å; E261-K265 IonicContact OE1-NZ 2.72Å; E261-K265 PolarHBondContact OE1-NZ 3.29Å; I263-K265 VanDerWaalsContact C-N 3.35Å; I263-K265 PolarHBondContact O-N 2.83Å; K265-H267 PolarHBondContact O-N 3.49Å; K265-N268 PolarHBondContact O-N 2.94Å
266K84.2Confident91.6Very high159 Ų15957.9 Ų57.969%0.69127%0.274SS*.Hα-helixtrans-61.5-26.7176.5-75.2169.4-176.3170.50113.1E262 I263 F264 N268E262-K266 VanDerWaalsContact O-CG 3.3Å; E262-K266 WeakPolarHBondContact O-CG 3.47Å; E262-K266 PolarHBondContact O-N 3.44Å; I263-K266 WeakPolarHBondContact O-CB 3.27Å; I263-K266 PolarHBondContact O-N 3.04Å; F264-K266 PolarHBondContact O-N 2.94Å; K266-N268 VanDerWaalsContact C-N 3.31Å
267H76.6Confident91.6Very high77 Ų7758.1 Ų58.136%0.35628%0.275SS..THydrogen-bonded Turntrans-92.216.6176.3-64.382.8000112.9E160 I263 F264 K265 H269E160-H267 IonicContact OE1-CD2 3.01Å; E160-H267 IonicContact OE1-NE2 2.69Å; I263-H267 PolarHBondContact O-N 3.21Å; I263-H267 PolarHBondContact O-ND1 3.03Å; F264-H267 PolarHBondContact O-N 2.95Å; F264-H267 VanDerWaalsContact O-N 3.11Å; K265-H267 PolarHBondContact O-N 3.49Å; H267-H269 PolarHBondContact O-CD2 2.84Å; H267-H269 PolarHBondContact O-N 3.17Å
268N81.1Confident91.8Very high154 Ų15458.1 Ų58.182%0.82428%0.275SS*.THydrogen-bonded Turntrans57.223.8-175.4-70.3-18.6000114.4K265 K266K265-N268 PolarHBondContact O-N 2.94Å; K266-N268 VanDerWaalsContact C-N 3.31Å
269H81.2Confident91.9Very high46 Ų4654.9 Ų54.921%0.21326%0.26CS..  trans-113.992.5176.2-70.9-67.2000109.2I137 Y140 F264 H267I137-H269 HydrophobicContact CG2-CB 3.96Å; Y140-H269 AromaticContact CE2-ND1 3.99Å; F264-H269 CarbonylContact C-O 3.57Å; F264-H269 VanDerWaalsContact CB-O 3.29Å; F264-H269 WeakPolarHBondContact CB-O 2.87Å; F264-H269 HydrophobicContact CD1-CB 4.1Å; F264-H269 CarbonylContact O-C 3.54Å; F264-H269 PolarHBondContact O-N 2.88Å; H267-H269 PolarHBondContact O-CD2 2.84Å; H267-H269 PolarHBondContact O-N 3.17Å
270G90.1Very high92.1Very high26 Ų2651.9 Ų51.927%0.26825%0.247SC..PPolyproline II helixtrans-70.1163170.700000112.1K138K138-G270 VanDerWaalsContact CB-O 3.25Å; K138-G270 WeakPolarHBondContact CB-O 3.46Å; K138-G270 PolarHBondContact N-O 2.81Å
271F96.5Very high92.3Very high14 Ų1451.9 Ų51.96%0.06125%0.247CC..BIsolated β-bridgetrans-77.5149.8163.4-65.2-42.9000110.8R135 S136 L235 I260 E261 F264 W273 Y279R135-F271 HydrophobicContact CB-CD1 3.79Å; R135-F271 HydrophobicContact CB-CD2 4.26Å; R135-F271 HydrophobicContact CB-CE1 3.69Å; R135-F271 HydrophobicContact CB-CE2 4.13Å; R135-F271 HydrophobicContact CB-CG 4.09Å; R135-F271 HydrophobicContact CB-CZ 3.85Å; R135-F271 HydrophobicContact CG-CD1 4.4Å; R135-F271 HydrophobicContact CG-CD2 3.97Å; R135-F271 HydrophobicContact CG-CE1 4.25Å; R135-F271 HydrophobicContact CG-CE2 3.76Å; R135-F271 HydrophobicContact CG-CG 4.28Å; R135-F271 HydrophobicContact CG-CZ 3.91Å; S136-F271 CarbonylContact O-C 3.51Å; S136-F271 WeakPolarHBondContact O-CA 3.33Å; S136-F271 WeakPolarHBondContact O-CD1 3.45Å; L235-F271 HydrophobicContact CD1-CE1 4.01Å; L235-F271 HydrophobicContact CD1-CZ 4.28Å; I260-F271 HydrophobicContact CG2-CZ 4.02Å; E261-F271 HydrophobicContact CB-CD2 4.22Å; E261-F271 HydrophobicContact CB-CE2 3.7Å; E261-F271 HydrophobicContact CG-CD2 3.75Å; E261-F271 HydrophobicContact CG-CE2 3.75Å; F264-F271 HydrophobicContact CB-CE1 4.41Å; F264-F271 HydrophobicContact CB-CZ 4.44Å; F264-F271 HydrophobicContact CD1-CE1 4.46Å; F264-F271 AromaticContact CD2-CE1 3.94Å; F264-F271 HydrophobicContact CD2-CE1 3.94Å; F264-F271 AromaticContact CD2-CZ 3.85Å; F264-F271 HydrophobicContact CD2-CZ 3.85Å; F264-F271 HydrophobicContact CE2-CE1 4.32Å; F264-F271 HydrophobicContact CE2-CZ 4.4Å; F264-F271 HydrophobicContact CG-CE1 4.01Å; F264-F271 HydrophobicContact CG-CZ 4.22Å; F271-W273 PolarHBondContact O-N 2.94Å; F271-Y279 HydrophobicContact CB-CD1 4.05Å; F271-Y279 HydrophobicContact CB-CE1 4.03Å; F271-Y279 HydrophobicContact CD2-CE1 4.05Å; F271-Y279 HydrophobicContact CG-CE1 4.49Å
272M98Very high92.6Very high2 Ų250.6 Ų50.61%0.0124%0.24CC..PPolyproline II helixtrans-64.3118.9169.1-61.6177.8176.900108.7E79 S136 I137 K138 Y140 L142 Y279 I280E79-M272 HydrophobicContact CB-CE 4.14Å; E79-M272 HydrophobicContact CB-CG 4.26Å; E79-M272 HydrophobicContact CB-SD 3.84Å; E79-M272 HydrophobicContact CG-CB 4.25Å; E79-M272 HydrophobicContact CG-CG 4.24Å; E79-M272 HydrophobicContact CG-SD 4.3Å; S136-M272 WeakPolarHBondContact CB-SD 3.25Å; S136-M272 PolarHBondContact O-N 2.91Å; I137-M272 WeakPolarHBondContact O-CE 3.4Å; K138-M272 HydrophobicContact CB-CG 4.21Å; Y140-M272 WeakPolarHBondContact O-CE 3.15Å; L142-M272 HydrophobicContact CD2-CE 4.14Å; L142-M272 HydrophobicContact CD2-SD 3.95Å; M272-Y279 WeakPolarHBondContact O-CA 3.27Å; M272-I280 HydrophobicContact CB-CB 3.7Å; M272-I280 HydrophobicContact CB-CG1 4.15Å; M272-I280 PolarHBondContact O-N 3.19Å; M272-I280 HydrophobicContact SD-CB 4.4Å; M272-I280 HydrophobicContact SD-CG2 4.28Å
273W97.9Very high92.9Very high115 Ų11546.2 Ų46.244%0.43622%0.222SC..EExtended strand (participates in β ladder)trans-157.9141-176.5-179.297.4000110.2F271 E275 G278 Y279F271-W273 PolarHBondContact O-N 2.94Å; W273-E275 HydrophobicContact CH2-CB 4.25Å; W273-G278 VanDerWaalsContact CA-O 3.23Å; W273-G278 WeakPolarHBondContact CA-O 3.46Å; W273-Y279 HydrophobicContact CB-CD1 4.2Å; W273-Y279 AromaticContact CD1-CD1 3.86Å; W273-Y279 AromaticContact CD1-CD2 3.87Å; W273-Y279 AromaticContact CD1-CG 3.81Å; W273-Y279 HydrophobicContact CG-CD1 4.43Å
274N97.9Very high93.5Very high54 Ų5445.3 Ų45.329%0.28922%0.217SC..EExtended strand (participates in β ladder)trans-142.4165.3166.170.355.2000111.1H276 L277 G278N274-H276 VanDerWaalsContact C-N 3.25Å; N274-H276 PolarHBondContact O-N 2.92Å; N274-H276 PolarHBondContact OD1-N 3.4Å; N274-L277 PolarHBondContact OD1-N 2.85Å; N274-G278 PolarHBondContact N-O 3.44Å; N274-G278 VanDerWaalsContact O-CA 3.29Å; N274-G278 WeakPolarHBondContact O-CA 3.36Å; N274-G278 PolarHBondContact O-N 3.35Å
275E98Very high93.9Very high102 Ų10246 Ų4648%0.47722%0.222SC..THydrogen-bonded Turntrans-64.1-29.4-174.3-168.6-177.1-154.600113.2K105 H106 W273K105-E275 HydrophobicContact CB-CG 4.38Å; K105-E275 HydrophobicContact CD-CG 3.93Å; K105-E275 WeakPolarHBondContact CD-OE1 3.41Å; K105-E275 WeakPolarHBondContact CE-OE1 3.24Å; K105-E275 WeakPolarHBondContact CE-OE2 3.5Å; K105-E275 HydrophobicContact CG-CG 4.13Å; K105-E275 IonicContact NZ-OE1 3.97Å; K105-E275 PolarHBondContact NZ-OE1 3.5Å; K105-E275 IonicContact NZ-OE2 3.19Å; K105-E275 PolarHBondContact NZ-OE2 3.42Å; H106-E275 PolarHBondContact N-O 3.2Å; W273-E275 HydrophobicContact CH2-CB 4.25Å
276H98.4Very high94.4Very high40 Ų4040.6 Ų40.619%0.18520%0.199CC..THydrogen-bonded Turntrans-81.8-48.9-177.2175.746.7000112.2Y100 K101 S102 D104 N274Y100-H276 AromaticContact CE1-CE1 3.43Å; Y100-H276 VanDerWaalsContact CE1-CE1 3.43Å; Y100-H276 WeakPolarHBondContact CE1-CE1 3.42Å; Y100-H276 AromaticContact CE1-ND1 3.8Å; Y100-H276 WeakPolarHBondContact CE1-O 3.4Å; Y100-H276 PolarHBondContact OH-O 3.33Å; K101-H276 PolarHBondContact O-CE1 2.73Å; K101-H276 VanDerWaalsContact O-CE1 3.24Å; S102-H276 VanDerWaalsContact CA-CE1 3.49Å; S102-H276 WeakPolarHBondContact CA-CE1 3.29Å; D104-H276 PolarHBondContact O-ND1 3.22Å; N274-H276 VanDerWaalsContact C-N 3.25Å; N274-H276 PolarHBondContact O-N 2.92Å; N274-H276 PolarHBondContact OD1-N 3.4Å
277L98.6Very high95Very high6 Ų633 Ų333%0.03117%0.166CC..THydrogen-bonded Turntrans-100.6-5.2-172.2-61.6-176.1000113.6Y82 I93 N274 I280 L287 G288 L342Y82-L277 HydrophobicContact CD1-CD1 3.9Å; Y82-L277 HydrophobicContact CG-CD1 3.85Å; I93-L277 HydrophobicContact CD1-CD2 4.04Å; N274-L277 PolarHBondContact OD1-N 2.85Å; L277-I280 HydrophobicContact CB-CD1 3.55Å; L277-I280 HydrophobicContact CD1-CD1 3.75Å; L277-I280 HydrophobicContact CG-CD1 4.28Å; L277-L287 HydrophobicContact CB-CD2 4.46Å; L277-L287 HydrophobicContact CD1-CD1 4.42Å; L277-L287 HydrophobicContact CD2-CD1 4.19Å; L277-G288 WeakPolarHBondContact O-CA 3.07Å; L277-G288 PolarHBondContact O-N 3.4Å; L277-L342 HydrophobicContact CD2-CD2 4.48Å
278G98.6Very high96.1Very high0 Ų029.3 Ų29.30%015%0.149CC..EExtended strand (participates in β ladder)trans63.8-139.4-171.800000111.3H106 W273 N274H106-G278 VanDerWaalsContact CD2-CA 3.41Å; H106-G278 WeakPolarHBondContact CD2-CA 3.44Å; W273-G278 VanDerWaalsContact CA-O 3.23Å; W273-G278 WeakPolarHBondContact CA-O 3.46Å; N274-G278 PolarHBondContact N-O 3.44Å; N274-G278 VanDerWaalsContact O-CA 3.29Å; N274-G278 WeakPolarHBondContact O-CA 3.36Å; N274-G278 PolarHBondContact O-N 3.35Å
279Y98.6Very high96.9Very high14 Ų1422 Ų226%0.05511%0.11CC..EExtended strand (participates in β ladder)trans-72.7130.9177.1-67.3-82.7000110.9T108 R135 E261 F271 M272 W273 G288T108-Y279 HydrophobicContact CG2-CE2 4.42Å; R135-Y279 VanDerWaalsContact CD-CD1 3.46Å; R135-Y279 VanDerWaalsContact CZ-CD2 3.44Å; R135-Y279 VanDerWaalsContact CZ-CE2 3.49Å; R135-Y279 VanDerWaalsContact NH2-CD2 3.33Å; E261-Y279 PolarHBondContact OE2-OH 2.68Å; F271-Y279 HydrophobicContact CB-CD1 4.05Å; F271-Y279 HydrophobicContact CB-CE1 4.03Å; F271-Y279 HydrophobicContact CD2-CE1 4.05Å; F271-Y279 HydrophobicContact CG-CE1 4.49Å; M272-Y279 WeakPolarHBondContact O-CA 3.27Å; W273-Y279 HydrophobicContact CB-CD1 4.2Å; W273-Y279 AromaticContact CD1-CD1 3.86Å; W273-Y279 AromaticContact CD1-CD2 3.87Å; W273-Y279 AromaticContact CD1-CG 3.81Å; W273-Y279 HydrophobicContact CG-CD1 4.43Å; Y279-G288 WeakPolarHBondContact CB-O 3.03Å; Y279-G288 PolarHBondContact N-O 3.19Å
280I98.8Very high97.7Very high0 Ų019.8 Ų19.80%010%0.1CC..  trans-86.9131.5-178.4-56.1-60.4000110.4E79 Y82 S136 M272 L277 L287E79-I280 HydrophobicContact CG-CG1 4.41Å; Y82-I280 HydrophobicContact CD2-CD1 4.34Å; Y82-I280 HydrophobicContact CD2-CG2 3.61Å; Y82-I280 HydrophobicContact CE2-CG2 3.47Å; Y82-I280 VanDerWaalsContact CE2-CG2 3.47Å; S136-I280 VanDerWaalsContact CB-O 3.24Å; S136-I280 WeakPolarHBondContact CB-O 3.33Å; S136-I280 PolarHBondContact OG-O 3.01Å; M272-I280 HydrophobicContact CB-CB 3.7Å; M272-I280 HydrophobicContact CB-CG1 4.15Å; M272-I280 PolarHBondContact O-N 3.19Å; M272-I280 HydrophobicContact SD-CB 4.4Å; M272-I280 HydrophobicContact SD-CG2 4.28Å; L277-I280 HydrophobicContact CB-CD1 3.55Å; L277-I280 HydrophobicContact CD1-CD1 3.75Å; L277-I280 HydrophobicContact CG-CD1 4.28Å; I280-L287 HydrophobicContact CD1-CD2 3.98Å
281L98.8Very high98.1Very high0 Ų018.6 Ų18.60%09%0.087CC..  trans-135.4168.2177.3-68179000110.6Y82 S136 D233 C283 N286Y82-L281 WeakPolarHBondContact CE2-O 3.45Å; Y82-L281 PolarHBondContact OH-O 3.44Å; S136-L281 WeakPolarHBondContact OG-CD2 3.14Å; D233-L281 HydrophobicContact CB-CD2 3.89Å; D233-L281 WeakPolarHBondContact OD1-CB 3.18Å; D233-L281 WeakPolarHBondContact OD1-CD2 3.42Å; L281-C283 PolarHBondContact O-N 3.15Å; L281-N286 HydrophobicContact CB-CB 4.01Å; L281-N286 HydrophobicContact CD1-CB 3.75Å; L281-N286 WeakPolarHBondContact CD1-O 3.22Å
282T98.8Very high98.1Very high1 Ų118.4 Ų18.41%0.0069%0.086CC..SBendtrans-58.2-48.2-175.2-56.40000113V75 A76 P143 P144 M207 E232 D233V75-T282 CarbonylContact C-O 3.44Å; V75-T282 WeakPolarHBondContact CA-O 3.25Å; V75-T282 HydrophobicContact CB-CG2 3.92Å; V75-T282 HydrophobicContact CG1-CG2 3.98Å; A76-T282 PolarHBondContact N-O 3.37Å; P143-T282 WeakPolarHBondContact CD-OG1 3.36Å; P144-T282 HydrophobicContact CG-CG2 3.37Å; M207-T282 HydrophobicContact CE-CG2 3.85Å; M207-T282 HydrophobicContact SD-CG2 4.04Å; E232-T282 WeakPolarHBondContact O-CB 3.42Å; E232-T282 PolarHBondContact O-OG1 3.07Å; D233-T282 WeakPolarHBondContact OD1-CB 3.27Å; D233-T282 PolarHBondContact OD1-N 2.68Å; D233-T282 PolarHBondContact OD1-OG1 2.94Å; D233-T282 VanDerWaalsContact OD1-OG1 3.05Å
283C98.1Very high98.1Very high19 Ų1918.3 Ų18.313%0.1289%0.086CC..SBendtrans-97.5130.7-176.2-179.20000110.3L281 S285 N286L281-C283 PolarHBondContact O-N 3.15Å; C283-S285 PolarHBondContact O-N 2.7Å; C283-S285 PolarHBondContact SG-OG 2.76Å; C283-N286 WeakPolarHBondContact O-CB 3.45Å; C283-N286 PolarHBondContact O-N 3.29Å
284P98.1Very high98.1Very high0 Ų013.1 Ų13.10%07%0.067CC..G310 helixtrans-54.8-27.6177.4-28.634.1000114.2V72 C74 Y82 L89 I93 H97 N286 L287V72-P284 HydrophobicContact CG1-CB 3.97Å; V72-P284 HydrophobicContact CG1-CG 3.84Å; C74-P284 WeakPolarHBondContact O-CD 3.45Å; Y82-P284 HydrophobicContact CE1-CG 4.23Å; L89-P284 HydrophobicContact CD2-CG 4.24Å; I93-P284 HydrophobicContact CG1-CB 4.06Å; H97-P284 PolarHBondContact NE2-O 3.46Å; P284-N286 PolarHBondContact O-N 3.37Å; P284-N286 VanDerWaalsContact O-N 3.17Å; P284-L287 HydrophobicContact CB-CD1 4.37Å; P284-L287 WeakPolarHBondContact O-CG 3.5Å; P284-L287 PolarHBondContact O-N 3.27Å
285S95.6Very high98.1Very high18 Ų1810.7 Ų10.713%0.1266%0.055CC..G310 helixtrans-66.3-13.7175.372.70000114.3H97 C283 R341H97-S285 PolarHBondContact CE1-O 2.91Å; C283-S285 PolarHBondContact O-N 2.7Å; C283-S285 PolarHBondContact SG-OG 2.76Å; S285-R341 WeakPolarHBondContact O-CG 3.31Å
286N97.8Very high98Very high5 Ų57.9 Ų7.93%0.0274%0.042CC..G310 helixtrans-105.95.1-178.4-61.4-37.4000112.8E232 R236 L281 C283 P284 G290 R341E232-N286 PolarHBondContact OE1-ND2 3.29Å; E232-N286 VanDerWaalsContact OE1-ND2 3.08Å; R236-N286 PolarHBondContact NH2-ND2 2.99Å; L281-N286 HydrophobicContact CB-CB 4.01Å; L281-N286 HydrophobicContact CD1-CB 3.75Å; L281-N286 WeakPolarHBondContact CD1-O 3.22Å; C283-N286 WeakPolarHBondContact O-CB 3.45Å; C283-N286 PolarHBondContact O-N 3.29Å; P284-N286 PolarHBondContact O-N 3.37Å; P284-N286 VanDerWaalsContact O-N 3.17Å; N286-G290 WeakPolarHBondContact O-CA 3.36Å; N286-G290 PolarHBondContact O-N 2.84Å; N286-R341 PolarHBondContact OD1-NH1 2.61Å
287L98.5Very high97.9Very high0 Ų06 Ų60%03%0.033CC..  trans-62.7173.4175.9-66.7171.9000112.9Y82 I93 L277 I280 P284 T289 G290 R341 L342Y82-L287 HydrophobicContact CD1-CD1 4.28Å; Y82-L287 HydrophobicContact CE1-CD1 3.66Å; Y82-L287 HydrophobicContact CE1-CD2 4.09Å; Y82-L287 HydrophobicContact CE1-CG 4.3Å; Y82-L287 HydrophobicContact CE2-CD2 4.09Å; I93-L287 HydrophobicContact CD1-CD1 3.53Å; I93-L287 HydrophobicContact CG1-CD1 3.8Å; L277-L287 HydrophobicContact CB-CD2 4.46Å; L277-L287 HydrophobicContact CD1-CD1 4.42Å; L277-L287 HydrophobicContact CD2-CD1 4.19Å; I280-L287 HydrophobicContact CD1-CD2 3.98Å; P284-L287 HydrophobicContact CB-CD1 4.37Å; P284-L287 WeakPolarHBondContact O-CG 3.5Å; P284-L287 PolarHBondContact O-N 3.27Å; L287-T289 PolarHBondContact O-N 3.17Å; L287-G290 PolarHBondContact O-N 3.36Å; L287-R341 CarbonylContact O-C 3.49Å; L287-R341 WeakPolarHBondContact O-CB 3.39Å; L287-L342 HydrophobicContact CB-CD2 4.27Å
288G98.5Very high97.9Very high0 Ų09.6 Ų9.60%05%0.048CC..BIsolated β-bridgetrans79.3-115178.300000110.9H106 L277 Y279 G290 L342H106-G288 VanDerWaalsContact CE1-CA 3.43Å; H106-G288 WeakPolarHBondContact CE1-CA 3.34Å; H106-G288 WeakPolarHBondContact NE2-CA 3.38Å; L277-G288 WeakPolarHBondContact O-CA 3.07Å; L277-G288 PolarHBondContact O-N 3.4Å; Y279-G288 WeakPolarHBondContact CB-O 3.03Å; Y279-G288 PolarHBondContact N-O 3.19Å; G288-G290 VanDerWaalsContact C-N 3.29Å; G288-L342 VanDerWaalsContact CA-CD1 3.45Å
289T98.5Very high97.8Very high0 Ų09.6 Ų9.60%05%0.048CC..THydrogen-bonded Turntrans-74.5-25.3176.5620000112H106 T133 R135 L287 L291 R341 S344 E346 Q349H106-T289 PolarHBondContact CE1-N 3.04Å; H106-T289 PolarHBondContact NE2-N 3.46Å; T133-T289 PolarHBondContact OG1-O 3.19Å; R135-T289 PolarHBondContact NH1-O 3.45Å; L287-T289 PolarHBondContact O-N 3.17Å; T289-L291 PolarHBondContact O-N 3.08Å; T289-L291 VanDerWaalsContact O-N 3.11Å; T289-L291 VanDerWaalsContact OG1-CB 3.3Å; T289-L291 WeakPolarHBondContact OG1-CB 3.19Å; T289-L291 PolarHBondContact OG1-N 2.88Å; T289-R341 PolarHBondContact N-O 2.7Å; T289-R341 PolarHBondContact OG1-O 3.25Å; T289-R341 VanDerWaalsContact OG1-O 3.05Å; T289-S344 WeakPolarHBondContact CG2-O 3.38Å; T289-E346 HydrophobicContact CG2-CG 3.74Å; T289-Q349 PolarHBondContact OG1-NE2 3.1Å; T289-Q349 PolarHBondContact OG1-OE1 3.09Å
290G97.6Very high97.7Very high0 Ų011.8 Ų11.80%06%0.064CC..  trans60.36.5-162.500000114.4T133 N286 L287 G288T133-G290 WeakPolarHBondContact CA-O 3.24Å; T133-G290 VanDerWaalsContact OG1-C 3.24Å; T133-G290 WeakPolarHBondContact OG1-CA 3.47Å; T133-G290 PolarHBondContact OG1-O 2.88Å; N286-G290 WeakPolarHBondContact O-CA 3.36Å; N286-G290 PolarHBondContact O-N 2.84Å; L287-G290 PolarHBondContact O-N 3.36Å; G288-G290 VanDerWaalsContact C-N 3.29Å
291L98.1Very high97.7Very high0 Ų017 Ų170%09%0.087CC..  trans-80.7127.7-165.9-178.8152000111.9V131 R132 F250 F253 T289 G293 N338 R341 E346 Q349 V350V131-L291 HydrophobicContact CG1-CD1 3.65Å; V131-L291 HydrophobicContact CG1-CD2 4.36Å; V131-L291 HydrophobicContact CG1-CG 3.83Å; R132-L291 CarbonylContact O-C 3.08Å; R132-L291 VanDerWaalsContact O-CA 3.24Å; R132-L291 WeakPolarHBondContact O-CA 3.17Å; F250-L291 HydrophobicContact CE2-CD1 4Å; F253-L291 HydrophobicContact CE1-CD1 3.92Å; F253-L291 HydrophobicContact CZ-CD1 4.31Å; T289-L291 PolarHBondContact O-N 3.08Å; T289-L291 VanDerWaalsContact O-N 3.11Å; T289-L291 VanDerWaalsContact OG1-CB 3.3Å; T289-L291 WeakPolarHBondContact OG1-CB 3.19Å; T289-L291 PolarHBondContact OG1-N 2.88Å; L291-G293 VanDerWaalsContact CD2-N 3.28Å; L291-N338 PolarHBondContact O-ND2 2.77Å; L291-R341 WeakPolarHBondContact O-CD 3.48Å; L291-R341 PolarHBondContact O-NE 2.79Å; L291-E346 HydrophobicContact CB-CG 4.39Å; L291-E346 HydrophobicContact CD1-CB 3.64Å; L291-E346 HydrophobicContact CD1-CG 3.67Å; L291-Q349 HydrophobicContact CD2-CB 4.07Å; L291-V350 HydrophobicContact CD1-CG2 4Å; L291-V350 HydrophobicContact CD2-CG2 3.88Å
292R97.3Very high97.6Very high11 Ų1117 Ų174%0.0429%0.087CC..EExtended strand (participates in β ladder)trans-119.898.5165.1-171.6-175.6-176.7-141-10.9108.6R132 D335 S337R132-R292 HydrophobicContact CG-CB 3.84Å; R132-R292 PolarHBondContact N-O 2.94Å; R132-R292 PolarHBondContact O-N 3.04Å; R292-D335 IonicContact CZ-OD1 3.71Å; R292-D335 IonicContact CZ-OD2 3.42Å; R292-D335 VanDerWaalsContact CZ-OD2 3.23Å; R292-D335 IonicContact NH1-OD2 2.66Å; R292-D335 PolarHBondContact NH1-OD2 3.23Å; R292-D335 IonicContact NH2-OD1 3.87Å; R292-D335 PolarHBondContact NH2-OD1 3.37Å; R292-D335 IonicContact NH2-OD2 3.43Å; R292-D335 PolarHBondContact NH2-OD2 3.02Å; R292-S337 PolarHBondContact NE-OG 3.47Å; R292-S337 PolarHBondContact NH2-OG 3.39Å
293G97.6Very high97.4Very high0 Ų018.4 Ų18.40%010%0.096CC..EExtended strand (participates in β ladder)trans-88.6133.6168.700000109.2R130 L291 S337 N338 V353R130-G293 CarbonylContact O-C 3.51Å; R130-G293 WeakPolarHBondContact O-CA 3.46Å; L291-G293 VanDerWaalsContact CD2-N 3.28Å; G293-S337 WeakPolarHBondContact O-CA 3.41Å; G293-S337 WeakPolarHBondContact O-CB 3.21Å; G293-N338 PolarHBondContact N-OD1 3.43Å; G293-N338 PolarHBondContact O-N 2.7Å; G293-N338 PolarHBondContact O-OD1 2.84Å; G293-N338 VanDerWaalsContact O-OD1 3.08Å; G293-V353 WeakPolarHBondContact O-CG2 3.37Å
294G97.4Very high97.3Very high5 Ų522.9 Ų22.95%0.05212%0.123CC..EExtended strand (participates in β ladder)trans-167.8171.8-176.600000114.8R130 M246 I336R130-G294 PolarHBondContact N-O 2.93Å; R130-G294 PolarHBondContact O-N 2.85Å; M246-G294 VanDerWaalsContact CE-O 3.3Å; M246-G294 WeakPolarHBondContact CE-O 3.3Å; G294-I336 CarbonylContact C-O 3.55Å; G294-I336 WeakPolarHBondContact CA-O 3.29Å
295V97.7Very high97.2Very high3 Ų324.8 Ų24.82%0.01813%0.132CC..EExtended strand (participates in β ladder)trans-132.1149.5-177.3-65.80000110.9L121 V126 S128 M246 V297 D335 I336 V357L121-V295 HydrophobicContact CD1-CG1 4.09Å; V126-V295 HydrophobicContact CG1-CB 3.91Å; V126-V295 HydrophobicContact CG1-CG1 3.76Å; S128-V295 CarbonylContact O-C 3.48Å; S128-V295 VanDerWaalsContact O-CA 3.24Å; S128-V295 WeakPolarHBondContact O-CA 3.3Å; M246-V295 HydrophobicContact CE-CG1 3.85Å; V295-V297 HydrophobicContact CG2-CB 3.89Å; V295-V297 HydrophobicContact CG2-CG1 3.95Å; V295-D335 WeakPolarHBondContact O-CA 3.23Å; V295-I336 HydrophobicContact CG2-CB 4.26Å; V295-I336 PolarHBondContact N-O 3.45Å; V295-I336 PolarHBondContact O-N 3.03Å; V295-V357 HydrophobicContact CG2-CB 4.44Å; V295-V357 HydrophobicContact CG2-CG1 3.97Å; V295-V357 HydrophobicContact CG2-CG2 3.55Å
296H96.4Very high97.3Very high44 Ų4430 Ų3020%0.20417%0.165CC..EExtended strand (participates in β ladder)trans-85.9115.1154.2-74.7167.7000108.2V126 L127 S128 T322 V333 F334V126-H296 CarbonylContact C-O 3.57Å; V126-H296 WeakPolarHBondContact CA-O 3.46Å; L127-H296 HydrophobicContact CB-CB 4.17Å; L127-H296 PolarHBondContact N-O 3.21Å; S128-H296 PolarHBondContact O-N 3.09Å; H296-T322 PolarHBondContact CE1-O 2.9Å; H296-T322 PolarHBondContact NE2-O 3.23Å; H296-V333 HydrophobicContact CB-CG1 4.23Å; H296-F334 WeakPolarHBondContact CA-O 3.28Å
297V97.6Very high97.3Very high1 Ų132.8 Ų32.81%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-128.6136-175.262.50000111.2Y125 V126 V295 L299 V333 F334 I336 V361Y125-V297 WeakPolarHBondContact O-CA 3.32Å; V126-V297 HydrophobicContact CG2-CB 4.42Å; V126-V297 HydrophobicContact CG2-CG2 4.1Å; V295-V297 HydrophobicContact CG2-CB 3.89Å; V295-V297 HydrophobicContact CG2-CG1 3.95Å; V297-L299 HydrophobicContact CG1-CD1 3.77Å; V297-L299 HydrophobicContact CG1-CG 4.05Å; V297-L299 HydrophobicContact CG2-CD2 4.13Å; V297-L299 HydrophobicContact CG2-CG 4.05Å; V297-V333 WeakPolarHBondContact O-CA 3.41Å; V297-F334 PolarHBondContact N-O 3.4Å; V297-F334 PolarHBondContact O-N 3.24Å; V297-I336 HydrophobicContact CG1-CB 4.18Å; V297-I336 HydrophobicContact CG1-CG1 3.55Å; V297-V361 HydrophobicContact CG2-CG2 4.02Å
298K97.2Very high97.2Very high80 Ų8033.2 Ų33.235%0.34818%0.179SC..EExtended strand (participates in β ladder)trans-82.1117.9173.7-71.9-180-63.6178.20110N124 Y125 L127 V333N124-K298 WeakPolarHBondContact O-CE 3.2Å; N124-K298 PolarHBondContact O-NZ 3.4Å; Y125-K298 WeakPolarHBondContact CD1-O 3.45Å; Y125-K298 PolarHBondContact O-N 2.98Å; L127-K298 HydrophobicContact CD1-CG 4.27Å; L127-K298 HydrophobicContact CD2-CD 4.13Å; L127-K298 HydrophobicContact CD2-CG 4.4Å; L127-K298 HydrophobicContact CG-CG 4.4Å; K298-V333 HydrophobicContact CG-CG2 3.77Å
299L97.1Very high97Very high0 Ų038.1 Ų38.10%020%0.202CC..  trans-136.353.2179.7-63.5173.2000111.6V297 K301 L302 S303 F308 G332 F334 M360 E364V297-L299 HydrophobicContact CG1-CD1 3.77Å; V297-L299 HydrophobicContact CG1-CG 4.05Å; V297-L299 HydrophobicContact CG2-CD2 4.13Å; V297-L299 HydrophobicContact CG2-CG 4.05Å; L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 3.42Å; L299-L302 HydrophobicContact CB-CB 4.32Å; L299-L302 HydrophobicContact CD1-CD2 4.37Å; L299-L302 HydrophobicContact CD2-CD2 4.16Å; L299-S303 WeakPolarHBondContact O-CB 3.36Å; L299-S303 PolarHBondContact O-N 2.89Å; L299-S303 PolarHBondContact O-OG 2.58Å; L299-F308 HydrophobicContact CD1-CE2 4.29Å; L299-G332 PolarHBondContact N-O 2.88Å; L299-F334 HydrophobicContact CB-CD2 4.36Å; L299-M360 HydrophobicContact CD1-CE 3.51Å; L299-M360 HydrophobicContact CD2-CB 4.39Å; L299-E364 VanDerWaalsContact C-OE2 3.26Å; L299-E364 VanDerWaalsContact CA-OE2 3.31Å; L299-E364 WeakPolarHBondContact CA-OE2 3.25Å; L299-E364 HydrophobicContact CD2-CB 3.87Å; L299-E364 HydrophobicContact CD2-CG 4.23Å
300P96.6Very high96.9Very high60 Ų6041.7 Ų41.739%0.3922%0.219SC..THydrogen-bonded Turntrans-61.9-31.4-172.825.2-34.8000114E364P300-E364 WeakPolarHBondContact CD-OE1 3.48Å; P300-E364 VanDerWaalsContact CG-OE1 3.28Å; P300-E364 WeakPolarHBondContact CG-OE1 3.46Å
301K97.7Very high96.9Very high111 Ų11141.7 Ų41.748%0.48322%0.219SC..THydrogen-bonded Turntrans-86.9-50.8177.2-59.3-62.6-174.8177.10111.6L299 S303 T304 H305 E364 L367 E368L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 3.42Å; K301-S303 VanDerWaalsContact C-N 3.27Å; K301-S303 PolarHBondContact O-N 3.3Å; K301-T304 PolarHBondContact O-N 2.86Å; K301-T304 VanDerWaalsContact O-N 3.11Å; K301-T304 PolarHBondContact O-OG1 2.8Å; K301-H305 PolarHBondContact O-N 2.55Å; K301-E364 VanDerWaalsContact CB-OE1 3.27Å; K301-E364 WeakPolarHBondContact CB-OE1 3.32Å; K301-E364 WeakPolarHBondContact CG-OE1 3.39Å; K301-E364 PolarHBondContact N-OE1 3.26Å; K301-E364 PolarHBondContact N-OE2 3.18Å; K301-L367 HydrophobicContact CB-CB 3.6Å; K301-L367 HydrophobicContact CB-CD1 4.03Å; K301-L367 HydrophobicContact CB-CG 4.47Å; K301-L367 HydrophobicContact CG-CB 4.23Å; K301-E368 HydrophobicContact CG-CG 4.21Å
302L97.7Very high96.8Very high0 Ų041.8 Ų41.80%022%0.22CC..G310 helixtrans-61.5-37.2-175.9-178.362.5000111.6L299 T304 H305 F308 I311 M360 M363 E364 L367 I373L299-L302 HydrophobicContact CB-CB 4.32Å; L299-L302 HydrophobicContact CD1-CD2 4.37Å; L299-L302 HydrophobicContact CD2-CD2 4.16Å; L302-T304 PolarHBondContact O-N 3.43Å; L302-H305 HydrophobicContact CD1-CB 4.4Å; L302-H305 WeakPolarHBondContact O-CB 3.35Å; L302-H305 PolarHBondContact O-N 3.12Å; L302-F308 HydrophobicContact CD2-CD2 4.42Å; L302-F308 HydrophobicContact CD2-CE2 4.37Å; L302-F308 HydrophobicContact CG-CD2 3.9Å; L302-F308 HydrophobicContact CG-CE2 4.19Å; L302-F308 WeakPolarHBondContact O-CB 3.1Å; L302-I311 HydrophobicContact CD1-CD1 3.93Å; L302-M360 HydrophobicContact CD2-CB 3.85Å; L302-M360 HydrophobicContact CD2-CE 4.14Å; L302-M360 HydrophobicContact CD2-CG 4.1Å; L302-M363 HydrophobicContact CD1-CB 4.14Å; L302-M363 HydrophobicContact CD1-SD 4.19Å; L302-M363 HydrophobicContact CD2-CB 4.18Å; L302-M363 HydrophobicContact CD2-SD 4.37Å; L302-E364 WeakPolarHBondContact CB-OE2 3.47Å; L302-E364 PolarHBondContact N-OE2 3.21Å; L302-L367 HydrophobicContact CB-CD1 4.01Å; L302-L367 HydrophobicContact CD1-CD1 4.06Å; L302-I373 HydrophobicContact CD1-CD1 3.74Å
303S94.9Very high96.6Very high29 Ų2945.4 Ų45.420%0.20324%0.243CC..G310 helixtrans-65.4-2317960.90000114.8L299 K301 F334L299-S303 WeakPolarHBondContact O-CB 3.36Å; L299-S303 PolarHBondContact O-N 2.89Å; L299-S303 PolarHBondContact O-OG 2.58Å; K301-S303 VanDerWaalsContact C-N 3.27Å; K301-S303 PolarHBondContact O-N 3.3Å; S303-F334 WeakPolarHBondContact OG-CE2 3.39Å
304T94.9Very high96.5Very high113 Ų11349.1 Ų49.169%0.69326%0.257SS*.G310 helixtrans-92.7-6.8174.9660000112.9K301 L302K301-T304 PolarHBondContact O-N 2.86Å; K301-T304 VanDerWaalsContact O-N 3.11Å; K301-T304 PolarHBondContact O-OG1 2.8Å; L302-T304 PolarHBondContact O-N 3.43Å
305H97.1Very high96.5Very high41 Ų4149 Ų4919%0.1926%0.255CS..SBendtrans-71.3137-178.7-169.9-91.9000110.5K301 L302 K307 F308K301-H305 PolarHBondContact O-N 2.55Å; L302-H305 HydrophobicContact CD1-CB 4.4Å; L302-H305 WeakPolarHBondContact O-CB 3.35Å; L302-H305 PolarHBondContact O-N 3.12Å; H305-K307 PolarHBondContact ND1-N 3.1Å; H305-K307 PolarHBondContact O-N 3.12Å; H305-F308 WeakPolarHBondContact O-CB 3.42Å; H305-F308 PolarHBondContact O-N 3.35Å
306P96.9Very high96.3Very high126 Ų12652.6 Ų52.682%0.81827%0.268SS*.THydrogen-bonded Turntrans-57-25.8-176.3-27.635.1000115
307K97.3Very high96.2Very high65 Ų6551 Ų5128%0.28326%0.261SS..THydrogen-bonded Turntrans-92.48.2-179.9-60-177.1176.4166.70114.5H305 E309 E310 I311 D374 I377H305-K307 PolarHBondContact ND1-N 3.1Å; H305-K307 PolarHBondContact O-N 3.12Å; K307-E309 PolarHBondContact O-N 3.49Å; K307-E310 PolarHBondContact O-N 3.17Å; K307-I311 HydrophobicContact CB-CD1 4.24Å; K307-I311 HydrophobicContact CB-CG1 4.5Å; K307-I311 WeakPolarHBondContact O-CD1 3.5Å; K307-I311 VanDerWaalsContact O-CG1 3.27Å; K307-I311 WeakPolarHBondContact O-CG1 3.33Å; K307-I311 PolarHBondContact O-N 3.11Å; K307-D374 IonicContact NZ-OD1 3.03Å; K307-D374 PolarHBondContact NZ-OD1 2.74Å; K307-I377 HydrophobicContact CB-CD1 4.27Å; K307-I377 HydrophobicContact CD-CD1 3.72Å; K307-I377 HydrophobicContact CD-CG1 4.01Å
308F96.3Very high95.9Very high8 Ų852.5 Ų52.54%0.03527%0.268CS..Hα-helixtrans-58.7-47.9-173.9-176.3-136.2000113.3L299 L302 H305 E310 I311 L312 K319 F334 M360L299-F308 HydrophobicContact CD1-CE2 4.29Å; L302-F308 HydrophobicContact CD2-CD2 4.42Å; L302-F308 HydrophobicContact CD2-CE2 4.37Å; L302-F308 HydrophobicContact CG-CD2 3.9Å; L302-F308 HydrophobicContact CG-CE2 4.19Å; L302-F308 WeakPolarHBondContact O-CB 3.1Å; H305-F308 WeakPolarHBondContact O-CB 3.42Å; H305-F308 PolarHBondContact O-N 3.35Å; F308-E310 VanDerWaalsContact C-N 3.33Å; F308-E310 PolarHBondContact O-N 3.41Å; F308-I311 PolarHBondContact O-N 3.08Å; F308-L312 HydrophobicContact CD1-CD1 4.32Å; F308-L312 HydrophobicContact CD2-CD1 4.4Å; F308-L312 HydrophobicContact CD2-CG 4.44Å; F308-L312 HydrophobicContact CE1-CD1 4.03Å; F308-L312 HydrophobicContact CE2-CD1 4.11Å; F308-L312 HydrophobicContact CE2-CD2 4.47Å; F308-L312 HydrophobicContact CE2-CG 4.22Å; F308-L312 HydrophobicContact CZ-CD1 3.91Å; F308-L312 HydrophobicContact CZ-CG 4.48Å; F308-L312 WeakPolarHBondContact O-CG 3.47Å; F308-L312 PolarHBondContact O-N 3.22Å; F308-K319 HydrophobicContact CD1-CD 4.36Å; F308-K319 HydrophobicContact CE1-CD 3.56Å; F308-K319 HydrophobicContact CZ-CD 4.19Å; F308-F334 HydrophobicContact CE1-CE1 4.38Å; F308-F334 HydrophobicContact CE1-CZ 4.44Å; F308-M360 HydrophobicContact CD2-CE 4.46Å; F308-M360 HydrophobicContact CE2-CE 3.58Å; F308-M360 HydrophobicContact CZ-CE 4.36Å
309E94.7Very high95.6Very high103 Ų10352 Ų5248%0.48127%0.266SS..Hα-helixtrans-65.9-35.8178.7-60.8-67.4-17700112.1K307 L312 T313 K319K307-E309 PolarHBondContact O-N 3.49Å; E309-L312 PolarHBondContact O-N 3.02Å; E309-T313 WeakPolarHBondContact O-CB 3.39Å; E309-T313 PolarHBondContact O-N 3.25Å; E309-T313 PolarHBondContact O-OG1 3.48Å; E309-K319 WeakPolarHBondContact OE1-CE 3.44Å; E309-K319 IonicContact OE1-NZ 3.21Å; E309-K319 PolarHBondContact OE1-NZ 3.46Å; E309-K319 VanDerWaalsContact OE2-CE 3.3Å; E309-K319 WeakPolarHBondContact OE2-CE 3.37Å; E309-K319 IonicContact OE2-NZ 3.65Å
310E96.4Very high95.1Very high75 Ų7554 Ų5435%0.3527%0.273SS..Hα-helixtrans-63.9-46.3174.6-175.5-175.717700110.7K307 F308 L312 T313 R314K307-E310 PolarHBondContact O-N 3.17Å; F308-E310 VanDerWaalsContact C-N 3.33Å; F308-E310 PolarHBondContact O-N 3.41Å; E310-L312 VanDerWaalsContact C-N 3.35Å; E310-L312 PolarHBondContact O-N 3.26Å; E310-T313 PolarHBondContact O-N 3.42Å; E310-R314 HydrophobicContact CG-CG 4.34Å; E310-R314 WeakPolarHBondContact O-CB 3.14Å; E310-R314 WeakPolarHBondContact O-CG 3.32Å; E310-R314 PolarHBondContact O-N 2.95Å; E310-R314 IonicContact OE1-CZ 2.78Å; E310-R314 VanDerWaalsContact OE1-CZ 3.22Å; E310-R314 IonicContact OE1-NE 3.22Å; E310-R314 PolarHBondContact OE1-NE 3.27Å; E310-R314 IonicContact OE1-NH2 3.77Å; E310-R314 PolarHBondContact OE1-NH2 2.74Å
311I98.1Very high94.2Very high0 Ų051.4 Ų51.40%026%0.258CS..Hα-helixtrans-59.5-46.5178.4-69160.6000110.5L302 K307 F308 T313 R314 L315 M360 M363 I373 I377L302-I311 HydrophobicContact CD1-CD1 3.93Å; K307-I311 HydrophobicContact CB-CD1 4.24Å; K307-I311 HydrophobicContact CB-CG1 4.5Å; K307-I311 WeakPolarHBondContact O-CD1 3.5Å; K307-I311 VanDerWaalsContact O-CG1 3.27Å; K307-I311 WeakPolarHBondContact O-CG1 3.33Å; K307-I311 PolarHBondContact O-N 3.11Å; F308-I311 PolarHBondContact O-N 3.08Å; I311-T313 PolarHBondContact O-N 2.63Å; I311-R314 PolarHBondContact O-N 3.11Å; I311-L315 HydrophobicContact CG2-CD1 3.78Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 VanDerWaalsContact O-CG 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.19Å; I311-L315 PolarHBondContact O-N 3.05Å; I311-M360 HydrophobicContact CG2-CG 4.47Å; I311-M363 HydrophobicContact CD1-CE 4.23Å; I311-M363 HydrophobicContact CD1-SD 3.88Å; I311-M363 HydrophobicContact CG1-CE 4.44Å; I311-M363 HydrophobicContact CG2-CE 4.4Å; I311-M363 HydrophobicContact CG2-SD 4.15Å; I311-I373 HydrophobicContact CD1-CD1 4.2Å; I311-I377 HydrophobicContact CD1-CD1 3.77Å; I311-I377 HydrophobicContact CG1-CD1 3.85Å
312L96.1Very high93Very high3 Ų348 Ų482%0.01625%0.246CC..Hα-helixtrans-58.5-47.5176.1-72.7171.9000111.6F308 E309 E310 R314 L315 R316 L317 K319 I336 M360F308-L312 HydrophobicContact CD1-CD1 4.32Å; F308-L312 HydrophobicContact CD2-CD1 4.4Å; F308-L312 HydrophobicContact CD2-CG 4.44Å; F308-L312 HydrophobicContact CE1-CD1 4.03Å; F308-L312 HydrophobicContact CE2-CD1 4.11Å; F308-L312 HydrophobicContact CE2-CD2 4.47Å; F308-L312 HydrophobicContact CE2-CG 4.22Å; F308-L312 HydrophobicContact CZ-CD1 3.91Å; F308-L312 HydrophobicContact CZ-CG 4.48Å; F308-L312 WeakPolarHBondContact O-CG 3.47Å; F308-L312 PolarHBondContact O-N 3.22Å; E309-L312 PolarHBondContact O-N 3.02Å; E310-L312 VanDerWaalsContact C-N 3.35Å; E310-L312 PolarHBondContact O-N 3.26Å; L312-R314 PolarHBondContact O-N 2.91Å; L312-L315 CarbonylContact O-C 3.59Å; L312-L315 PolarHBondContact O-N 2.93Å; L312-R316 PolarHBondContact O-N 2.85Å; L312-L317 CarbonylContact C-O 3.56Å; L312-L317 HydrophobicContact CD2-CB 3.95Å; L312-L317 PolarHBondContact O-N 2.81Å; L312-K319 HydrophobicContact CD1-CB 3.99Å; L312-K319 HydrophobicContact CD1-CD 3.79Å; L312-K319 HydrophobicContact CD1-CG 3.84Å; L312-I336 HydrophobicContact CD2-CD1 3.99Å; L312-M360 HydrophobicContact CD2-CE 3.62Å; L312-M360 HydrophobicContact CD2-SD 4.19Å; L312-M360 HydrophobicContact CG-CE 4.44Å
313T93.6Very high91.6Very high86 Ų8650.7 Ų50.753%0.52827%0.274SS..Hα-helixtrans-59.9-47.3178.9-58.20000111.7E309 E310 I311 L315 R316 Q380E309-T313 WeakPolarHBondContact O-CB 3.39Å; E309-T313 PolarHBondContact O-N 3.25Å; E309-T313 PolarHBondContact O-OG1 3.48Å; E310-T313 PolarHBondContact O-N 3.42Å; I311-T313 PolarHBondContact O-N 2.63Å; T313-L315 VanDerWaalsContact C-N 3.3Å; T313-L315 PolarHBondContact O-N 3.49Å; T313-R316 PolarHBondContact O-N 3.42Å; T313-Q380 PolarHBondContact O-NE2 3.11Å
314R95.8Very high90.1Very high79 Ų7950 Ų5030%0.29827%0.272SS..Hα-helixtrans-65.4-33.8179.4-70.5-164.9-173.3-142.2-2.2113E310 I311 L312 R316 P378 K381E310-R314 HydrophobicContact CG-CG 4.34Å; E310-R314 WeakPolarHBondContact O-CB 3.14Å; E310-R314 WeakPolarHBondContact O-CG 3.32Å; E310-R314 PolarHBondContact O-N 2.95Å; E310-R314 IonicContact OE1-CZ 2.78Å; E310-R314 VanDerWaalsContact OE1-CZ 3.22Å; E310-R314 IonicContact OE1-NE 3.22Å; E310-R314 PolarHBondContact OE1-NE 3.27Å; E310-R314 IonicContact OE1-NH2 3.77Å; E310-R314 PolarHBondContact OE1-NH2 2.74Å; I311-R314 PolarHBondContact O-N 3.11Å; L312-R314 PolarHBondContact O-N 2.91Å; R314-R316 VanDerWaalsContact C-N 3.26Å; R314-P378 HydrophobicContact CB-CG 4.03Å; R314-P378 WeakPolarHBondContact CD-O 3.48Å; R314-P378 PolarHBondContact NH1-O 2.86Å; R314-K381 WeakPolarHBondContact O-CB 3.44Å; R314-K381 PolarHBondContact O-N 3.22Å
315L96.3Very high88.5Confident3 Ų346.5 Ų46.52%0.01625%0.25CS..THydrogen-bonded Turntrans-80.5-5.5174.5-67.1174.1000113.3I311 L312 T313 L317 L352 L359 M360 P378I311-L315 HydrophobicContact CG2-CD1 3.78Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 VanDerWaalsContact O-CG 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.19Å; I311-L315 PolarHBondContact O-N 3.05Å; L312-L315 CarbonylContact O-C 3.59Å; L312-L315 PolarHBondContact O-N 2.93Å; T313-L315 VanDerWaalsContact C-N 3.3Å; T313-L315 PolarHBondContact O-N 3.49Å; L315-L317 HydrophobicContact CB-CB 4.4Å; L315-L317 HydrophobicContact CB-CD1 3.87Å; L315-L317 HydrophobicContact CB-CG 3.86Å; L315-L317 HydrophobicContact CD1-CD1 4.09Å; L315-L317 PolarHBondContact O-N 2.91Å; L315-L352 WeakPolarHBondContact O-CD2 3.48Å; L315-L359 HydrophobicContact CD1-CD2 4.49Å; L315-L359 HydrophobicContact CD2-CD2 4.18Å; L315-M360 HydrophobicContact CD1-CG 4Å; L315-M360 HydrophobicContact CD1-SD 4.23Å; L315-P378 HydrophobicContact CD1-CG 4.45Å; L315-P378 HydrophobicContact CD2-CB 3.92Å; L315-P378 HydrophobicContact CD2-CG 3.77Å; L315-P378 HydrophobicContact CG-CB 4.5Å; L315-P378 HydrophobicContact CG-CG 3.81Å
316R93.8Very high86.7Confident78 Ų7848.2 Ų48.229%0.29426%0.261SS..THydrogen-bonded Turntrans54.338.2-171.4-55.3175.665.7157.56112.7L312 T313 R314 A339 D340 L352 K381L312-R316 PolarHBondContact O-N 2.85Å; T313-R316 PolarHBondContact O-N 3.42Å; R314-R316 VanDerWaalsContact C-N 3.26Å; R316-A339 WeakPolarHBondContact O-CB 3.23Å; R316-A339 PolarHBondContact O-N 3.41Å; R316-D340 IonicContact CZ-OD1 3.01Å; R316-D340 IonicContact CZ-OD2 2.95Å; R316-D340 VanDerWaalsContact CZ-OD2 3.22Å; R316-D340 IonicContact NE-OD1 2.66Å; R316-D340 IonicContact NE-OD2 3.16Å; R316-D340 PolarHBondContact NE-OD2 3.22Å; R316-D340 IonicContact NH2-OD1 2.7Å; R316-D340 PolarHBondContact NH2-OD1 2.88Å; R316-D340 IonicContact NH2-OD2 3.56Å; R316-D340 PolarHBondContact NH2-OD2 3.3Å; R316-L352 HydrophobicContact CB-CD1 4.08Å; R316-K381 WeakPolarHBondContact CD-O 3.31Å; R316-K381 HydrophobicContact CG-CB 4.15Å
317L95Very high85Confident9 Ų944.8 Ų44.85%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-104.6150175.1-64.7177.3000110L312 L315 I336 S337 L352 V353 M360L312-L317 CarbonylContact C-O 3.56Å; L312-L317 HydrophobicContact CD2-CB 3.95Å; L312-L317 PolarHBondContact O-N 2.81Å; L315-L317 HydrophobicContact CB-CB 4.4Å; L315-L317 HydrophobicContact CB-CD1 3.87Å; L315-L317 HydrophobicContact CB-CG 3.86Å; L315-L317 HydrophobicContact CD1-CD1 4.09Å; L315-L317 PolarHBondContact O-N 2.91Å; L317-I336 HydrophobicContact CB-CG2 4.17Å; L317-I336 HydrophobicContact CD1-CG2 3.82Å; L317-I336 HydrophobicContact CD2-CG2 4.45Å; L317-I336 HydrophobicContact CG-CG2 4.38Å; L317-S337 CarbonylContact C-O 3.43Å; L317-S337 WeakPolarHBondContact CA-O 3.32Å; L317-S337 WeakPolarHBondContact CD2-O 3.43Å; L317-L352 HydrophobicContact CD2-CD2 3.55Å; L317-L352 HydrophobicContact CG-CD2 4.17Å; L317-V353 HydrophobicContact CD2-CG2 4.06Å; L317-M360 HydrophobicContact CD1-SD 3.88Å
318Q91.4Very high83.8Confident33 Ų3345.1 Ų45.115%0.15425%0.252CS..EExtended strand (participates in β ladder)trans-118.3147.5172.562174.71600109.8I336 S337 A339Q318-I336 WeakPolarHBondContact O-CA 3.27Å; Q318-S337 WeakPolarHBondContact CG-O 3.33Å; Q318-S337 WeakPolarHBondContact CG-OG 3.37Å; Q318-S337 PolarHBondContact N-O 3.39Å; Q318-S337 PolarHBondContact NE2-OG 2.9Å; Q318-S337 VanDerWaalsContact NE2-OG 3.14Å; Q318-S337 PolarHBondContact O-N 2.98Å; Q318-S337 VanDerWaalsContact O-N 3.08Å; Q318-A339 HydrophobicContact CB-CB 4.25Å; Q318-A339 HydrophobicContact CG-CB 4.43Å
319K90.3Very high82.7Confident70 Ų7047.1 Ų47.130%0.30427%0.267SS..EExtended strand (participates in β ladder)trans-105.3146.7172.366173.3160.472.10112.4F308 E309 L312 F334 D335 I336F308-K319 HydrophobicContact CD1-CD 4.36Å; F308-K319 HydrophobicContact CE1-CD 3.56Å; F308-K319 HydrophobicContact CZ-CD 4.19Å; E309-K319 WeakPolarHBondContact OE1-CE 3.44Å; E309-K319 IonicContact OE1-NZ 3.21Å; E309-K319 PolarHBondContact OE1-NZ 3.46Å; E309-K319 VanDerWaalsContact OE2-CE 3.3Å; E309-K319 WeakPolarHBondContact OE2-CE 3.37Å; E309-K319 IonicContact OE2-NZ 3.65Å; L312-K319 HydrophobicContact CD1-CB 3.99Å; L312-K319 HydrophobicContact CD1-CD 3.79Å; L312-K319 HydrophobicContact CD1-CG 3.84Å; K319-F334 HydrophobicContact CB-CD1 4.35Å; K319-F334 HydrophobicContact CD-CD1 4.08Å; K319-F334 HydrophobicContact CD-CE1 4.17Å; K319-D335 CarbonylContact C-O 3.51Å; K319-D335 WeakPolarHBondContact CA-O 3.44Å; K319-I336 HydrophobicContact CB-CD1 3.58Å
320R86.1Confident81.8Confident41 Ų4147.2 Ų47.216%0.15528%0.275CS..EExtended strand (participates in β ladder)trans-135.4166.7166.8-59.1-173.7-177.4-169-12.6109.8D335R320-D335 HydrophobicContact CB-CB 4.11Å; R320-D335 PolarHBondContact N-O 3.4Å; R320-D335 PolarHBondContact O-N 2.96Å
321G77.4Confident81Confident6 Ų647.1 Ų47.16%0.06229%0.294CS..BIsolated β-bridgetrans-70.3173.9171.500000112.9G323 G324 T327 A328G321-G323 VanDerWaalsContact C-N 3.28Å; G321-G323 PolarHBondContact O-N 3.02Å; G321-G324 PolarHBondContact N-O 3.37Å; G321-G324 PolarHBondContact O-N 3.47Å; G321-T327 WeakPolarHBondContact CA-O 3.39Å; G321-T327 PolarHBondContact N-O 2.87Å; G321-A328 WeakPolarHBondContact CA-O 3.5Å
322T73.6Confident80.4Confident39 Ų3947.8 Ų47.824%0.23930%0.301CS..THydrogen-bonded Turntrans-67.7-24.5-167-43.80000113.6H296 A328 V330 V333H296-T322 PolarHBondContact CE1-O 2.9Å; H296-T322 PolarHBondContact NE2-O 3.23Å; T322-A328 PolarHBondContact N-O 3.33Å; T322-V330 PolarHBondContact OG1-N 2.76Å; T322-V333 HydrophobicContact CG2-CB 4.46Å; T322-V333 HydrophobicContact CG2-CG1 3.99Å; T322-V333 PolarHBondContact OG1-O 2.9Å
323G66.8Low80.3Confident58 Ų5848.5 Ų48.560%0.59831%0.305SS*.THydrogen-bonded Turntrans-99.16.6175.100000114.2G321 T327G321-G323 VanDerWaalsContact C-N 3.28Å; G321-G323 PolarHBondContact O-N 3.02Å; G323-T327 VanDerWaalsContact C-OG1 3.29Å; G323-T327 VanDerWaalsContact CA-OG1 3.27Å; G323-T327 WeakPolarHBondContact CA-OG1 3.39Å; G323-T327 PolarHBondContact N-OG1 3.03Å
324G64.1Low80.2Confident15 Ų1545.2 Ų45.216%0.15528%0.284CS..BIsolated β-bridgetrans110.8-157.7-178.200000114.1G321 D326 T327G321-G324 PolarHBondContact N-O 3.37Å; G321-G324 PolarHBondContact O-N 3.47Å; G324-D326 VanDerWaalsContact C-N 3.3Å; G324-D326 PolarHBondContact O-N 3.05Å; G324-T327 PolarHBondContact N-OG1 2.96Å; G324-T327 VanDerWaalsContact N-OG1 3.1Å; G324-T327 PolarHBondContact O-N 3.42Å; G324-T327 PolarHBondContact O-OG1 3.42Å
325V61.3Low80.1Confident39 Ų3942.3 Ų42.324%0.23627%0.274CS..THydrogen-bonded Turntrans-66.3-26.7-163.9660000115.1I69I69-V325 HydrophobicContact CD1-CG2 3.72Å; I69-V325 HydrophobicContact CG1-CG2 4.33Å; I69-V325 HydrophobicContact CG2-CG2 4.49Å
326D59.1Low80.1Confident77 Ų7742.1 Ų42.141%0.41227%0.273SS..THydrogen-bonded Turntrans-105.513.4-175.6-57.6-35.7000112.5H66 G324H66-D326 IonicContact CE1-OD1 2.86Å; H66-D326 PolarHBondContact CE1-OD1 3.45Å; H66-D326 IonicContact NE2-OD1 3.63Å; H66-D326 PolarHBondContact NE2-OD1 3.33Å; H66-D326 VanDerWaalsContact NE2-OD1 3.16Å; G324-D326 VanDerWaalsContact C-N 3.3Å; G324-D326 PolarHBondContact O-N 3.05Å
327T61.6Low80.2Confident53 Ų5338.4 Ų38.433%0.32526%0.259SS..SBendtrans-118.2153.2-176.568.50000111.9G321 G323 G324G321-T327 WeakPolarHBondContact CA-O 3.39Å; G321-T327 PolarHBondContact N-O 2.87Å; G323-T327 VanDerWaalsContact C-OG1 3.29Å; G323-T327 VanDerWaalsContact CA-OG1 3.27Å; G323-T327 WeakPolarHBondContact CA-OG1 3.39Å; G323-T327 PolarHBondContact N-OG1 3.03Å; G324-T327 PolarHBondContact N-OG1 2.96Å; G324-T327 VanDerWaalsContact N-OG1 3.1Å; G324-T327 PolarHBondContact O-N 3.42Å; G324-T327 PolarHBondContact O-OG1 3.42Å
328A71.7Confident80.3Confident72 Ų7238.1 Ų38.160%0.59526%0.257SS*.  trans-78.8157.9171.500000111.4G321 T322G321-A328 WeakPolarHBondContact CA-O 3.5Å; T322-A328 PolarHBondContact N-O 3.33Å
329S73.6Confident80.2Confident50 Ų5037.4 Ų37.435%0.3526%0.257SS..  trans-71.9133.4167.455.70000110.1V333S329-V333 WeakPolarHBondContact CB-O 3.28Å
330V76.1Confident80.1Confident106 Ų10634.9 Ų34.964%0.64225%0.247SC*.BIsolated β-bridgetrans-108.3128.4174.8-177.40000109.4T322 G332 V333T322-V330 PolarHBondContact OG1-N 2.76Å; V330-G332 VanDerWaalsContact C-N 3.31Å; V330-G332 PolarHBondContact O-N 3.34Å; V330-V333 WeakPolarHBondContact O-CB 3.33Å; V330-V333 PolarHBondContact O-N 3.48Å; V330-V333 VanDerWaalsContact O-N 3.11Å
331G78.9Confident80.6Confident73 Ų7333.1 Ų33.175%0.75324%0.24SC*.THydrogen-bonded Turntrans63.129.3171.900000115.4V333G331-V333 VanDerWaalsContact C-N 3.27Å; G331-V333 PolarHBondContact O-N 3.39Å
332G86.7Confident81.5Confident13 Ų1333.1 Ų33.113%0.13424%0.239CC..THydrogen-bonded Turntrans73.514.9-177.200000114.3L299 V330 F334L299-G332 PolarHBondContact N-O 2.88Å; V330-G332 VanDerWaalsContact C-N 3.31Å; V330-G332 PolarHBondContact O-N 3.34Å; G332-F334 WeakPolarHBondContact O-CD2 3.27Å; G332-F334 WeakPolarHBondContact O-CE2 3.45Å
333V92.1Very high82.6Confident18 Ų1833.1 Ų33.111%0.10925%0.247CC..EExtended strand (participates in β ladder)trans-90.9125173.7-178.30000110L127 H296 V297 K298 T322 S329 V330 G331L127-V333 HydrophobicContact CD1-CG1 3.93Å; L127-V333 HydrophobicContact CD1-CG2 4.01Å; H296-V333 HydrophobicContact CB-CG1 4.23Å; V297-V333 WeakPolarHBondContact O-CA 3.41Å; K298-V333 HydrophobicContact CG-CG2 3.77Å; T322-V333 HydrophobicContact CG2-CB 4.46Å; T322-V333 HydrophobicContact CG2-CG1 3.99Å; T322-V333 PolarHBondContact OG1-O 2.9Å; S329-V333 WeakPolarHBondContact CB-O 3.28Å; V330-V333 WeakPolarHBondContact O-CB 3.33Å; V330-V333 PolarHBondContact O-N 3.48Å; V330-V333 VanDerWaalsContact O-N 3.11Å; G331-V333 VanDerWaalsContact C-N 3.27Å; G331-V333 PolarHBondContact O-N 3.39Å
334F92.4Very high84.1Confident18 Ų1831.6 Ų31.68%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-120.5144.9179.3-64.6-90.9000111.7H296 V297 L299 S303 F308 K319 G332 I336H296-F334 WeakPolarHBondContact CA-O 3.28Å; V297-F334 PolarHBondContact N-O 3.4Å; V297-F334 PolarHBondContact O-N 3.24Å; L299-F334 HydrophobicContact CB-CD2 4.36Å; S303-F334 WeakPolarHBondContact OG-CE2 3.39Å; F308-F334 HydrophobicContact CE1-CE1 4.38Å; F308-F334 HydrophobicContact CE1-CZ 4.44Å; K319-F334 HydrophobicContact CB-CD1 4.35Å; K319-F334 HydrophobicContact CD-CD1 4.08Å; K319-F334 HydrophobicContact CD-CE1 4.17Å; G332-F334 WeakPolarHBondContact O-CD2 3.27Å; G332-F334 WeakPolarHBondContact O-CE2 3.45Å; F334-I336 HydrophobicContact CB-CD1 3.78Å; F334-I336 HydrophobicContact CB-CG1 4.02Å
335D93.3Very high85.7Confident17 Ų1730.9 Ų30.99%0.09122%0.22CC..EExtended strand (participates in β ladder)trans-83.6103.4161.6171.74.4000108.1R292 V295 K319 R320R292-D335 IonicContact CZ-OD1 3.71Å; R292-D335 IonicContact CZ-OD2 3.42Å; R292-D335 VanDerWaalsContact CZ-OD2 3.23Å; R292-D335 IonicContact NH1-OD2 2.66Å; R292-D335 PolarHBondContact NH1-OD2 3.23Å; R292-D335 IonicContact NH2-OD1 3.87Å; R292-D335 PolarHBondContact NH2-OD1 3.37Å; R292-D335 IonicContact NH2-OD2 3.43Å; R292-D335 PolarHBondContact NH2-OD2 3.02Å; V295-D335 WeakPolarHBondContact O-CA 3.23Å; K319-D335 CarbonylContact C-O 3.51Å; K319-D335 WeakPolarHBondContact CA-O 3.44Å; R320-D335 HydrophobicContact CB-CB 4.11Å; R320-D335 PolarHBondContact N-O 3.4Å; R320-D335 PolarHBondContact O-N 2.96Å
336I96.4Very high87.5Confident0 Ų029.1 Ų29.10%021%0.209CC..EExtended strand (participates in β ladder)trans-104.3128.3178.8-59-56.7000109.2G294 V295 V297 L312 L317 Q318 K319 F334 V357 M360G294-I336 CarbonylContact C-O 3.55Å; G294-I336 WeakPolarHBondContact CA-O 3.29Å; V295-I336 HydrophobicContact CG2-CB 4.26Å; V295-I336 PolarHBondContact N-O 3.45Å; V295-I336 PolarHBondContact O-N 3.03Å; V297-I336 HydrophobicContact CG1-CB 4.18Å; V297-I336 HydrophobicContact CG1-CG1 3.55Å; L312-I336 HydrophobicContact CD2-CD1 3.99Å; L317-I336 HydrophobicContact CB-CG2 4.17Å; L317-I336 HydrophobicContact CD1-CG2 3.82Å; L317-I336 HydrophobicContact CD2-CG2 4.45Å; L317-I336 HydrophobicContact CG-CG2 4.38Å; Q318-I336 WeakPolarHBondContact O-CA 3.27Å; K319-I336 HydrophobicContact CB-CD1 3.58Å; F334-I336 HydrophobicContact CB-CD1 3.78Å; F334-I336 HydrophobicContact CB-CG1 4.02Å; I336-V357 HydrophobicContact CG2-CG2 4.37Å; I336-M360 HydrophobicContact CD1-CE 4.37Å; I336-M360 HydrophobicContact CG1-CE 4.43Å; I336-M360 HydrophobicContact CG2-SD 4.23Å
337S97Very high89.4Confident0 Ų026 Ų260%019%0.193CC..EExtended strand (participates in β ladder)trans-149.8163.9-176.756.40000112.6R292 G293 L317 Q318R292-S337 PolarHBondContact NE-OG 3.47Å; R292-S337 PolarHBondContact NH2-OG 3.39Å; G293-S337 WeakPolarHBondContact O-CA 3.41Å; G293-S337 WeakPolarHBondContact O-CB 3.21Å; L317-S337 CarbonylContact C-O 3.43Å; L317-S337 WeakPolarHBondContact CA-O 3.32Å; L317-S337 WeakPolarHBondContact CD2-O 3.43Å; Q318-S337 WeakPolarHBondContact CG-O 3.33Å; Q318-S337 WeakPolarHBondContact CG-OG 3.37Å; Q318-S337 PolarHBondContact N-O 3.39Å; Q318-S337 PolarHBondContact NE2-OG 2.9Å; Q318-S337 VanDerWaalsContact NE2-OG 3.14Å; Q318-S337 PolarHBondContact O-N 2.98Å; Q318-S337 VanDerWaalsContact O-N 3.08Å
338N95.8Very high91.1Very high2 Ų227.2 Ų27.21%0.01120%0.195CC..EExtended strand (participates in β ladder)trans-58.9137.917059.7-65.1000111.5L291 G293 D340 L352 V353L291-N338 PolarHBondContact O-ND2 2.77Å; G293-N338 PolarHBondContact N-OD1 3.43Å; G293-N338 PolarHBondContact O-N 2.7Å; G293-N338 PolarHBondContact O-OD1 2.84Å; G293-N338 VanDerWaalsContact O-OD1 3.08Å; N338-D340 PolarHBondContact ND2-O 3.2Å; N338-L352 HydrophobicContact CB-CD2 4.49Å; N338-V353 HydrophobicContact CB-CG2 3.79Å
339A89.4Confident92.4Very high19 Ų1924 Ų2416%0.15717%0.168CC..SBendtrans-83.3-34.7178.500000112.8R96 R316 Q318R96-A339 PolarHBondContact NH1-O 3.13Å; R96-A339 PolarHBondContact NH2-O 2.87Å; R316-A339 WeakPolarHBondContact O-CB 3.23Å; R316-A339 PolarHBondContact O-N 3.41Å; Q318-A339 HydrophobicContact CB-CB 4.25Å; Q318-A339 HydrophobicContact CG-CB 4.43Å
340D88.5Confident93.6Very high17 Ų1721.7 Ų21.79%0.09115%0.151CC..  trans-91.7149.4-176.1-51.3-77.7000112.6R316 N338R316-D340 IonicContact CZ-OD1 3.01Å; R316-D340 IonicContact CZ-OD2 2.95Å; R316-D340 VanDerWaalsContact CZ-OD2 3.22Å; R316-D340 IonicContact NE-OD1 2.66Å; R316-D340 IonicContact NE-OD2 3.16Å; R316-D340 PolarHBondContact NE-OD2 3.22Å; R316-D340 IonicContact NH2-OD1 2.7Å; R316-D340 PolarHBondContact NH2-OD1 2.88Å; R316-D340 IonicContact NH2-OD2 3.56Å; R316-D340 PolarHBondContact NH2-OD2 3.3Å; N338-D340 PolarHBondContact ND2-O 3.2Å
341R95.9Very high94.7Very high3 Ų318.2 Ų18.21%0.01113%0.128CC..  trans-129.7-24.8177.4-46.4-70.117764.612.9113.6S285 N286 L287 T289 L291 Q349S285-R341 WeakPolarHBondContact O-CG 3.31Å; N286-R341 PolarHBondContact OD1-NH1 2.61Å; L287-R341 CarbonylContact O-C 3.49Å; L287-R341 WeakPolarHBondContact O-CB 3.39Å; T289-R341 PolarHBondContact N-O 2.7Å; T289-R341 PolarHBondContact OG1-O 3.25Å; T289-R341 VanDerWaalsContact OG1-O 3.05Å; L291-R341 WeakPolarHBondContact O-CD 3.48Å; L291-R341 PolarHBondContact O-NE 2.79Å; R341-Q349 VanDerWaalsContact C-NE2 3.27Å; R341-Q349 PolarHBondContact O-NE2 2.97Å
342L97.6Very high95.6Very high6 Ų616 Ų163%0.03110%0.099CC..SBendtrans-111.9150.8-174-17462.9000110.4I93 H97 Y100 H106 L277 L287 G288 S344I93-L342 HydrophobicContact CG2-CD2 3.48Å; I93-L342 VanDerWaalsContact CG2-CD2 3.48Å; H97-L342 HydrophobicContact CB-CB 4.2Å; Y100-L342 HydrophobicContact CD1-CD2 3.33Å; Y100-L342 HydrophobicContact CD1-CG 3.72Å; Y100-L342 HydrophobicContact CD2-CG 4.18Å; Y100-L342 HydrophobicContact CE1-CD1 3.99Å; Y100-L342 HydrophobicContact CE1-CD2 3.49Å; Y100-L342 VanDerWaalsContact CE1-CD2 3.49Å; Y100-L342 HydrophobicContact CE1-CG 3.62Å; Y100-L342 HydrophobicContact CE2-CG 4.13Å; Y100-L342 HydrophobicContact CG-CD2 3.94Å; Y100-L342 HydrophobicContact CG-CG 3.97Å; H106-L342 HydrophobicContact CB-CD1 4.02Å; L277-L342 HydrophobicContact CD2-CD2 4.48Å; L287-L342 HydrophobicContact CB-CD2 4.27Å; G288-L342 VanDerWaalsContact CA-CD1 3.45Å; L342-S344 VanDerWaalsContact C-N 3.28Å; L342-S344 PolarHBondContact O-N 2.64Å
343G96.7Very high96.1Very high39 Ų3915.4 Ų15.440%0.4029%0.092SC..SBendtrans77.6-6.6-177.200000117.4Y100 H106Y100-G343 VanDerWaalsContact CE2-CA 3.4Å; H106-G343 PolarHBondContact ND1-N 3.41Å
344S97Very high96.5Very high26 Ų2614.6 Ų14.618%0.1829%0.088CC..SBendtrans-134.1156.3171.956.80000111.2H106 T289 L342 E348 Q349H106-S344 PolarHBondContact CE1-O 3.5Å; H106-S344 VanDerWaalsContact CE1-O 3.29Å; T289-S344 WeakPolarHBondContact CG2-O 3.38Å; L342-S344 VanDerWaalsContact C-N 3.28Å; L342-S344 PolarHBondContact O-N 2.64Å; S344-E348 WeakPolarHBondContact CA-OE2 3.49Å; S344-E348 WeakPolarHBondContact CB-OE2 3.35Å; S344-Q349 PolarHBondContact O-NE2 3.34Å; S344-Q349 WeakPolarHBondContact OG-CG 2.87Å; S344-Q349 PolarHBondContact OG-NE2 3.27Å; S344-Q349 VanDerWaalsContact OG-NE2 3.07Å
345S98.4Very high96.8Very high1 Ų117.1 Ų17.11%0.00710%0.102CC..  trans-81.3167-177.775.20000113.7K107 V347 E348 Q349K107-S345 VanDerWaalsContact O-CA 3.26Å; K107-S345 WeakPolarHBondContact O-CA 3.21Å; S345-V347 VanDerWaalsContact C-N 3.34Å; S345-V347 PolarHBondContact O-N 3.33Å; S345-E348 PolarHBondContact N-OE2 3.49Å; S345-E348 PolarHBondContact O-N 2.72Å; S345-E348 WeakPolarHBondContact OG-CG 3.32Å; S345-E348 PolarHBondContact OG-N 2.91Å; S345-E348 PolarHBondContact OG-OE2 3.32Å; S345-Q349 WeakPolarHBondContact O-CB 3.35Å; S345-Q349 VanDerWaalsContact O-CG 3.23Å; S345-Q349 WeakPolarHBondContact O-CG 3.47Å; S345-Q349 PolarHBondContact O-N 3.17Å
346E98.7Very high97Very high1 Ų116.3 Ų16.31%0.00510%0.098CC..Hα-helixtrans-58.4-44.8176.7-66.685.5168.100111.9T108 D109 L110 F250 T289 L291 Q349 V350T108-E346 WeakPolarHBondContact CA-OE2 3.48Å; D109-E346 PolarHBondContact N-OE2 3.41Å; D109-E346 WeakPolarHBondContact O-CB 3.13Å; L110-E346 HydrophobicContact CD2-CB 4.04Å; L110-E346 HydrophobicContact CD2-CG 3.63Å; L110-E346 HydrophobicContact CG-CG 4.44Å; F250-E346 HydrophobicContact CE2-CB 4.04Å; F250-E346 HydrophobicContact CZ-CB 3.88Å; T289-E346 HydrophobicContact CG2-CG 3.74Å; L291-E346 HydrophobicContact CB-CG 4.39Å; L291-E346 HydrophobicContact CD1-CB 3.64Å; L291-E346 HydrophobicContact CD1-CG 3.67Å; E346-Q349 PolarHBondContact O-N 3.44Å; E346-V350 WeakPolarHBondContact O-CG2 3.37Å; E346-V350 PolarHBondContact O-N 3.33Å
347V98.7Very high97.1Very high12 Ų1216.4 Ų16.47%0.07310%0.098CC..Hα-helixtrans-59-47.3174.2168.40000111.3D109 N111 N114 F250 S345 Q349 V350 Q351D109-V347 HydrophobicContact CB-CB 4.4Å; D109-V347 HydrophobicContact CB-CG2 4.25Å; D109-V347 WeakPolarHBondContact O-CG2 3.49Å; D109-V347 PolarHBondContact O-N 2.85Å; N111-V347 VanDerWaalsContact O-CG2 3.24Å; N111-V347 WeakPolarHBondContact O-CG2 3.09Å; N114-V347 HydrophobicContact CB-CG1 3.78Å; N114-V347 HydrophobicContact CB-CG2 4.06Å; F250-V347 HydrophobicContact CE1-CG2 3.8Å; F250-V347 HydrophobicContact CZ-CG2 4.08Å; S345-V347 VanDerWaalsContact C-N 3.34Å; S345-V347 PolarHBondContact O-N 3.33Å; V347-Q349 VanDerWaalsContact C-N 3.32Å; V347-Q349 PolarHBondContact O-N 3.45Å; V347-V350 PolarHBondContact O-N 3.11Å; V347-Q351 VanDerWaalsContact O-CB 3.26Å; V347-Q351 WeakPolarHBondContact O-CB 3.28Å; V347-Q351 PolarHBondContact O-N 2.82Å
348E98.5Very high97.2Very high79 Ų7919.5 Ų19.537%0.36911%0.112SC..Hα-helixtrans-62.2-41.2-179.7-72.7166.7167.100111.4K107 S344 S345 Q351 L352K107-E348 IonicContact NZ-OE1 3.02Å; K107-E348 PolarHBondContact NZ-OE1 3.34Å; S344-E348 WeakPolarHBondContact CA-OE2 3.49Å; S344-E348 WeakPolarHBondContact CB-OE2 3.35Å; S345-E348 PolarHBondContact N-OE2 3.49Å; S345-E348 PolarHBondContact O-N 2.72Å; S345-E348 WeakPolarHBondContact OG-CG 3.32Å; S345-E348 PolarHBondContact OG-N 2.91Å; S345-E348 PolarHBondContact OG-OE2 3.32Å; E348-Q351 PolarHBondContact O-N 3.13Å; E348-L352 WeakPolarHBondContact O-CB 3.49Å; E348-L352 PolarHBondContact O-N 3.08Å
349Q98.4Very high97.3Very high5 Ų521.2 Ų21.22%0.02312%0.12CC..Hα-helixtrans-68.4-42.3178.9-69.9167.79.500112.2T289 L291 R341 S344 S345 E346 V347 L352 V353T289-Q349 PolarHBondContact OG1-NE2 3.1Å; T289-Q349 PolarHBondContact OG1-OE1 3.09Å; L291-Q349 HydrophobicContact CD2-CB 4.07Å; R341-Q349 VanDerWaalsContact C-NE2 3.27Å; R341-Q349 PolarHBondContact O-NE2 2.97Å; S344-Q349 PolarHBondContact O-NE2 3.34Å; S344-Q349 WeakPolarHBondContact OG-CG 2.87Å; S344-Q349 PolarHBondContact OG-NE2 3.27Å; S344-Q349 VanDerWaalsContact OG-NE2 3.07Å; S345-Q349 WeakPolarHBondContact O-CB 3.35Å; S345-Q349 VanDerWaalsContact O-CG 3.23Å; S345-Q349 WeakPolarHBondContact O-CG 3.47Å; S345-Q349 PolarHBondContact O-N 3.17Å; E346-Q349 PolarHBondContact O-N 3.44Å; V347-Q349 VanDerWaalsContact C-N 3.32Å; V347-Q349 PolarHBondContact O-N 3.45Å; Q349-L352 PolarHBondContact O-N 2.99Å; Q349-V353 WeakPolarHBondContact O-CG2 3.49Å; Q349-V353 PolarHBondContact O-N 2.99Å
350V98.7Very high97.8Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-70.8-37.2176.4177.30000111.1L115 V131 M246 F250 L291 E346 V347 L352 V353 V354L115-V350 HydrophobicContact CD1-CB 4.21Å; L115-V350 HydrophobicContact CD1-CG1 3.83Å; L115-V350 HydrophobicContact CD2-CG1 3.86Å; V131-V350 HydrophobicContact CG2-CG2 4.4Å; M246-V350 HydrophobicContact CG-CG1 3.81Å; M246-V350 HydrophobicContact SD-CG1 4.34Å; F250-V350 HydrophobicContact CB-CG1 4.32Å; F250-V350 HydrophobicContact CD1-CG1 4.33Å; F250-V350 HydrophobicContact CD2-CB 4.47Å; F250-V350 HydrophobicContact CD2-CG2 3.73Å; F250-V350 HydrophobicContact CE2-CG2 3.74Å; F250-V350 HydrophobicContact CG-CB 4.46Å; F250-V350 HydrophobicContact CG-CG1 4.15Å; F250-V350 HydrophobicContact CG-CG2 4.17Å; F250-V350 HydrophobicContact CZ-CG2 4.19Å; L291-V350 HydrophobicContact CD1-CG2 4Å; L291-V350 HydrophobicContact CD2-CG2 3.88Å; E346-V350 WeakPolarHBondContact O-CG2 3.37Å; E346-V350 PolarHBondContact O-N 3.33Å; V347-V350 PolarHBondContact O-N 3.11Å; V350-L352 VanDerWaalsContact C-N 3.31Å; V350-L352 PolarHBondContact O-N 2.82Å; V350-V353 WeakPolarHBondContact O-CB 3.14Å; V350-V353 PolarHBondContact O-N 2.99Å; V350-V354 HydrophobicContact CG1-CG2 4.4Å; V350-V354 WeakPolarHBondContact O-CG2 3.5Å; V350-V354 PolarHBondContact O-N 2.74Å
351Q98.8Very high98.3Very high33 Ų3319.9 Ų19.915%0.15411%0.111CC..Hα-helixtrans-59.7-43.9173.6-171.867.461.300111.1L115 K116 V347 E348 V353 V354 D355L115-Q351 HydrophobicContact CD1-CB 4.05Å; K116-Q351 PolarHBondContact O-NE2 3.34Å; K116-Q351 VanDerWaalsContact O-NE2 3.09Å; K116-Q351 PolarHBondContact O-OE1 3.23Å; V347-Q351 VanDerWaalsContact O-CB 3.26Å; V347-Q351 WeakPolarHBondContact O-CB 3.28Å; V347-Q351 PolarHBondContact O-N 2.82Å; E348-Q351 PolarHBondContact O-N 3.13Å; Q351-V353 VanDerWaalsContact C-N 3.28Å; Q351-V353 PolarHBondContact O-N 2.76Å; Q351-V354 PolarHBondContact O-N 2.96Å; Q351-D355 PolarHBondContact NE2-OD1 3.35Å; Q351-D355 PolarHBondContact O-N 3.14Å
352L98.1Very high98.4Very high28 Ų2824.8 Ų24.815%0.14713%0.134CC..Hα-helixtrans-58.3-40.7176.9-177.9155.7000112L315 R316 L317 N338 E348 Q349 V350 G356 K381L315-L352 WeakPolarHBondContact O-CD2 3.48Å; R316-L352 HydrophobicContact CB-CD1 4.08Å; L317-L352 HydrophobicContact CD2-CD2 3.55Å; L317-L352 HydrophobicContact CG-CD2 4.17Å; N338-L352 HydrophobicContact CB-CD2 4.49Å; E348-L352 WeakPolarHBondContact O-CB 3.49Å; E348-L352 PolarHBondContact O-N 3.08Å; Q349-L352 PolarHBondContact O-N 2.99Å; V350-L352 VanDerWaalsContact C-N 3.31Å; V350-L352 PolarHBondContact O-N 2.82Å; L352-G356 PolarHBondContact O-N 3.1Å; L352-K381 HydrophobicContact CD1-CD 4.37Å; L352-K381 HydrophobicContact CG-CD 4.36Å
353V98.6Very high98.5Very high0 Ų024.5 Ų24.50%013%0.133CC..Hα-helixtrans-65.9-48.5174.5175.30000111.3M246 G293 L317 N338 Q349 V350 Q351 D355 G356 V357M246-V353 HydrophobicContact CE-CG1 4.44Å; G293-V353 WeakPolarHBondContact O-CG2 3.37Å; L317-V353 HydrophobicContact CD2-CG2 4.06Å; N338-V353 HydrophobicContact CB-CG2 3.79Å; Q349-V353 WeakPolarHBondContact O-CG2 3.49Å; Q349-V353 PolarHBondContact O-N 2.99Å; V350-V353 WeakPolarHBondContact O-CB 3.14Å; V350-V353 PolarHBondContact O-N 2.99Å; Q351-V353 VanDerWaalsContact C-N 3.28Å; Q351-V353 PolarHBondContact O-N 2.76Å; V353-D355 PolarHBondContact O-N 3.1Å; V353-G356 PolarHBondContact O-N 2.95Å; V353-V357 HydrophobicContact CG1-CG2 4.06Å; V353-V357 VanDerWaalsContact O-CB 3.3Å; V353-V357 WeakPolarHBondContact O-CB 3.38Å; V353-V357 WeakPolarHBondContact O-CG2 3.42Å; V353-V357 PolarHBondContact O-N 2.87Å
354V98.8Very high98.5Very high1 Ų122.7 Ų22.71%0.00611%0.113CC..Hα-helixtrans-56.6-51.5179.1167.50000110.6L115 L121 M246 V350 Q351 K358L115-V354 HydrophobicContact CD1-CG2 4.44Å; L121-V354 HydrophobicContact CD2-CG1 4.42Å; M246-V354 HydrophobicContact CB-CG2 4.18Å; M246-V354 HydrophobicContact CG-CG2 3.92Å; V350-V354 HydrophobicContact CG1-CG2 4.4Å; V350-V354 WeakPolarHBondContact O-CG2 3.5Å; V350-V354 PolarHBondContact O-N 2.74Å; Q351-V354 PolarHBondContact O-N 2.96Å; V354-K358 HydrophobicContact CG1-CD 4.47Å; V354-K358 WeakPolarHBondContact O-CG 3.46Å; V354-K358 PolarHBondContact O-N 2.87Å
355D98.7Very high98.6Very high71 Ų7124.8 Ų24.838%0.3812%0.119SC..Hα-helixtrans-63.9-45.6-178.1-62.9-14.4000111.7Q351 V353 K358 L359Q351-D355 PolarHBondContact NE2-OD1 3.35Å; Q351-D355 PolarHBondContact O-N 3.14Å; V353-D355 PolarHBondContact O-N 3.1Å; D355-K358 PolarHBondContact O-N 2.99Å; D355-L359 PolarHBondContact O-N 3.38Å; D355-L359 VanDerWaalsContact O-N 3.14Å
356G98.6Very high98.6Very high0 Ų028.3 Ų28.30%013%0.134CC..Hα-helixtrans-66.8-42.6-178.200000112.5L352 V353 L359 M360L352-G356 PolarHBondContact O-N 3.1Å; V353-G356 PolarHBondContact O-N 2.95Å; G356-L359 PolarHBondContact O-N 3.47Å; G356-M360 WeakPolarHBondContact O-CG 2.98Å; G356-M360 PolarHBondContact O-N 3.29Å
357V98.7Very high98.6Very high2 Ų229.8 Ų29.81%0.01214%0.142CC..Hα-helixtrans-65.4-40.9177.5171.60000111.1L121 V126 V295 I336 V353 L359 M360 V361L121-V357 HydrophobicContact CD1-CG1 4.25Å; L121-V357 HydrophobicContact CD2-CG1 4.3Å; V126-V357 HydrophobicContact CG2-CG1 3.86Å; V295-V357 HydrophobicContact CG2-CB 4.44Å; V295-V357 HydrophobicContact CG2-CG1 3.97Å; V295-V357 HydrophobicContact CG2-CG2 3.55Å; I336-V357 HydrophobicContact CG2-CG2 4.37Å; V353-V357 HydrophobicContact CG1-CG2 4.06Å; V353-V357 VanDerWaalsContact O-CB 3.3Å; V353-V357 WeakPolarHBondContact O-CB 3.38Å; V353-V357 WeakPolarHBondContact O-CG2 3.42Å; V353-V357 PolarHBondContact O-N 2.87Å; V357-L359 PolarHBondContact O-N 2.64Å; V357-M360 PolarHBondContact O-N 3.3Å; V357-V361 HydrophobicContact CG1-CG2 4.39Å; V357-V361 WeakPolarHBondContact O-CG2 3.44Å; V357-V361 PolarHBondContact O-N 3.31Å
358K98.7Very high98.6Very high65 Ų6533.6 Ų33.628%0.28316%0.159SC..Hα-helixtrans-56.8-50.2174.4-76.4-172.8177.7-159.20111.3D120 L121 V354 D355 M360 V361 E362D120-K358 VanDerWaalsContact CG-NZ 3.26Å; D120-K358 WeakPolarHBondContact OD1-CE 3.34Å; D120-K358 IonicContact OD1-NZ 2.98Å; D120-K358 PolarHBondContact OD1-NZ 3.24Å; D120-K358 IonicContact OD2-NZ 2.73Å; D120-K358 PolarHBondContact OD2-NZ 2.95Å; L121-K358 HydrophobicContact CD2-CD 4.31Å; L121-K358 HydrophobicContact CD2-CG 3.51Å; V354-K358 HydrophobicContact CG1-CD 4.47Å; V354-K358 WeakPolarHBondContact O-CG 3.46Å; V354-K358 PolarHBondContact O-N 2.87Å; D355-K358 PolarHBondContact O-N 2.99Å; K358-M360 PolarHBondContact O-N 2.9Å; K358-V361 PolarHBondContact O-N 3.24Å; K358-E362 WeakPolarHBondContact O-CG 3.42Å; K358-E362 PolarHBondContact O-N 2.87Å
359L98.8Very high98.6Very high37 Ų3737 Ų3719%0.19417%0.173CC..Hα-helixtrans-60.3-44.5178.3179.863.2000112.2L315 D355 G356 V357 V361 E362 M363 M376 P378L315-L359 HydrophobicContact CD1-CD2 4.49Å; L315-L359 HydrophobicContact CD2-CD2 4.18Å; D355-L359 PolarHBondContact O-N 3.38Å; D355-L359 VanDerWaalsContact O-N 3.14Å; G356-L359 PolarHBondContact O-N 3.47Å; V357-L359 PolarHBondContact O-N 2.64Å; L359-V361 VanDerWaalsContact C-N 3.32Å; L359-V361 PolarHBondContact O-N 3.22Å; L359-E362 PolarHBondContact O-N 3.21Å; L359-M363 HydrophobicContact CD1-CE 4.09Å; L359-M363 HydrophobicContact CD2-CE 3.95Å; L359-M363 HydrophobicContact CG-CE 3.83Å; L359-M363 HydrophobicContact CG-SD 4.37Å; L359-M363 WeakPolarHBondContact O-CG 3.45Å; L359-M363 PolarHBondContact O-N 2.9Å; L359-M376 HydrophobicContact CD1-CE 3.86Å; L359-P378 HydrophobicContact CD2-CB 3.94Å; L359-P378 HydrophobicContact CD2-CG 4.03Å
360M98.6Very high98.5Very high2 Ų240.2 Ų40.21%0.0121%0.207CC..Hα-helixtrans-63.4-37.8179.4-69.8173.781.600112.1L299 L302 F308 I311 L312 L315 L317 I336 G356 V357 K358 M363 E364L299-M360 HydrophobicContact CD1-CE 3.51Å; L299-M360 HydrophobicContact CD2-CB 4.39Å; L302-M360 HydrophobicContact CD2-CB 3.85Å; L302-M360 HydrophobicContact CD2-CE 4.14Å; L302-M360 HydrophobicContact CD2-CG 4.1Å; F308-M360 HydrophobicContact CD2-CE 4.46Å; F308-M360 HydrophobicContact CE2-CE 3.58Å; F308-M360 HydrophobicContact CZ-CE 4.36Å; I311-M360 HydrophobicContact CG2-CG 4.47Å; L312-M360 HydrophobicContact CD2-CE 3.62Å; L312-M360 HydrophobicContact CD2-SD 4.19Å; L312-M360 HydrophobicContact CG-CE 4.44Å; L315-M360 HydrophobicContact CD1-CG 4Å; L315-M360 HydrophobicContact CD1-SD 4.23Å; L317-M360 HydrophobicContact CD1-SD 3.88Å; I336-M360 HydrophobicContact CD1-CE 4.37Å; I336-M360 HydrophobicContact CG1-CE 4.43Å; I336-M360 HydrophobicContact CG2-SD 4.23Å; G356-M360 WeakPolarHBondContact O-CG 2.98Å; G356-M360 PolarHBondContact O-N 3.29Å; V357-M360 PolarHBondContact O-N 3.3Å; K358-M360 PolarHBondContact O-N 2.9Å; M360-M363 PolarHBondContact O-N 2.96Å; M360-E364 PolarHBondContact O-N 3.11Å
361V98.7Very high98.5Very high7 Ų744.1 Ų44.14%0.04223%0.225CC..Hα-helixtrans-67.9-38.2174.6169.50000111.4D122 Y125 V297 V357 K358 L359 E364 K365D122-V361 HydrophobicContact CB-CG1 4.12Å; Y125-V361 HydrophobicContact CD1-CG1 4.49Å; Y125-V361 HydrophobicContact CD2-CG1 3.68Å; Y125-V361 HydrophobicContact CE2-CG1 4.18Å; Y125-V361 HydrophobicContact CG-CG1 3.87Å; Y125-V361 HydrophobicContact CG-CG2 4.3Å; V297-V361 HydrophobicContact CG2-CG2 4.02Å; V357-V361 HydrophobicContact CG1-CG2 4.39Å; V357-V361 WeakPolarHBondContact O-CG2 3.44Å; V357-V361 PolarHBondContact O-N 3.31Å; K358-V361 PolarHBondContact O-N 3.24Å; L359-V361 VanDerWaalsContact C-N 3.32Å; L359-V361 PolarHBondContact O-N 3.22Å; V361-E364 PolarHBondContact O-N 2.97Å; V361-K365 HydrophobicContact CG1-CD 4.29Å; V361-K365 WeakPolarHBondContact O-CG 3.48Å; V361-K365 PolarHBondContact O-N 3.33Å
362E98.7Very high98.4Very high106 Ų10645.9 Ų45.950%0.49525%0.246SC..Hα-helixtrans-63.8-41.5173.4-70177.5-17600112.2K358 L359 K365 K366 M376K358-E362 WeakPolarHBondContact O-CG 3.42Å; K358-E362 PolarHBondContact O-N 2.87Å; L359-E362 PolarHBondContact O-N 3.21Å; E362-K365 PolarHBondContact O-N 2.83Å; E362-K366 PolarHBondContact O-N 3Å; E362-K366 VanDerWaalsContact O-N 3.08Å; E362-M376 HydrophobicContact CB-CE 3.76Å
363M98.7Very high98.4Very high0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-61.5-44.7173.6-70.7173.1171.500111.7L302 I311 L359 M360 K365 K366 L367 I373 M376L302-M363 HydrophobicContact CD1-CB 4.14Å; L302-M363 HydrophobicContact CD1-SD 4.19Å; L302-M363 HydrophobicContact CD2-CB 4.18Å; L302-M363 HydrophobicContact CD2-SD 4.37Å; I311-M363 HydrophobicContact CD1-CE 4.23Å; I311-M363 HydrophobicContact CD1-SD 3.88Å; I311-M363 HydrophobicContact CG1-CE 4.44Å; I311-M363 HydrophobicContact CG2-CE 4.4Å; I311-M363 HydrophobicContact CG2-SD 4.15Å; L359-M363 HydrophobicContact CD1-CE 4.09Å; L359-M363 HydrophobicContact CD2-CE 3.95Å; L359-M363 HydrophobicContact CG-CE 3.83Å; L359-M363 HydrophobicContact CG-SD 4.37Å; L359-M363 WeakPolarHBondContact O-CG 3.45Å; L359-M363 PolarHBondContact O-N 2.9Å; M360-M363 PolarHBondContact O-N 2.96Å; M363-K365 PolarHBondContact O-N 3.28Å; M363-K366 PolarHBondContact O-N 3.27Å; M363-L367 WeakPolarHBondContact O-CG 3.31Å; M363-L367 PolarHBondContact O-N 3.32Å; M363-I373 HydrophobicContact CB-CD1 4.32Å; M363-I373 HydrophobicContact CB-CG2 4.13Å; M363-I373 HydrophobicContact CG-CB 4.4Å; M363-I373 HydrophobicContact CG-CD1 4.34Å; M363-I373 HydrophobicContact CG-CG2 4.3Å; M363-I373 HydrophobicContact SD-CD1 4.3Å; M363-M376 HydrophobicContact CE-CB 3.75Å; M363-M376 WeakPolarHBondContact CE-O 3.26Å; M363-M376 HydrophobicContact CG-CB 4.28Å; M363-M376 HydrophobicContact CG-CE 3.97Å; M363-M376 HydrophobicContact CG-SD 4.37Å
364E98.6Very high98.3Very high0 Ų049.2 Ų49.20%026%0.263CS..Hα-helixtrans-57.6-48.8176.3-175.164.3-154.100110.9Y125 L299 P300 K301 L302 M360 V361 K366 L367 E368Y125-E364 HydrophobicContact CD1-CG 3.96Å; Y125-E364 HydrophobicContact CE1-CB 4.29Å; Y125-E364 HydrophobicContact CE1-CG 3.64Å; L299-E364 VanDerWaalsContact C-OE2 3.26Å; L299-E364 VanDerWaalsContact CA-OE2 3.31Å; L299-E364 WeakPolarHBondContact CA-OE2 3.25Å; L299-E364 HydrophobicContact CD2-CB 3.87Å; L299-E364 HydrophobicContact CD2-CG 4.23Å; P300-E364 WeakPolarHBondContact CD-OE1 3.48Å; P300-E364 VanDerWaalsContact CG-OE1 3.28Å; P300-E364 WeakPolarHBondContact CG-OE1 3.46Å; K301-E364 VanDerWaalsContact CB-OE1 3.27Å; K301-E364 WeakPolarHBondContact CB-OE1 3.32Å; K301-E364 WeakPolarHBondContact CG-OE1 3.39Å; K301-E364 PolarHBondContact N-OE1 3.26Å; K301-E364 PolarHBondContact N-OE2 3.18Å; L302-E364 WeakPolarHBondContact CB-OE2 3.47Å; L302-E364 PolarHBondContact N-OE2 3.21Å; M360-E364 PolarHBondContact O-N 3.11Å; V361-E364 PolarHBondContact O-N 2.97Å; E364-K366 VanDerWaalsContact C-N 3.28Å; E364-K366 PolarHBondContact O-N 3.25Å; E364-L367 PolarHBondContact O-N 2.87Å; E364-L367 VanDerWaalsContact O-N 3.14Å; E364-E368 WeakPolarHBondContact O-CG 3.5Å; E364-E368 PolarHBondContact O-N 3.15Å
365K98.7Very high98.1Very high70 Ų7053.2 Ų53.230%0.30431%0.305SS..Hα-helixtrans-58.1-36.9177.2-76.2171.4177.1-178.90113.3D122 Y125 V361 E362 M363 K369D122-K365 WeakPolarHBondContact OD2-CE 3.32Å; D122-K365 IonicContact OD2-NZ 2.69Å; D122-K365 PolarHBondContact OD2-NZ 3.04Å; Y125-K365 HydrophobicContact CE1-CG 4.5Å; Y125-K365 HydrophobicContact CE2-CD 4.32Å; Y125-K365 HydrophobicContact CE2-CG 4.01Å; Y125-K365 VanDerWaalsContact OH-CG 3.25Å; Y125-K365 WeakPolarHBondContact OH-CG 3.24Å; V361-K365 HydrophobicContact CG1-CD 4.29Å; V361-K365 WeakPolarHBondContact O-CG 3.48Å; V361-K365 PolarHBondContact O-N 3.33Å; E362-K365 PolarHBondContact O-N 2.83Å; M363-K365 PolarHBondContact O-N 3.28Å; K365-K369 WeakPolarHBondContact O-CG 3.46Å; K365-K369 PolarHBondContact O-N 2.74Å
366K98.6Very high98.1Very high75 Ų7551.5 Ų51.533%0.32630%0.295SS..Hα-helixtrans-67.9-47.1174.9-78.1-145.8178.3-160.40111.7E362 M363 E364 E368 K369 G370 E371 I373 M376E362-K366 PolarHBondContact O-N 3Å; E362-K366 VanDerWaalsContact O-N 3.08Å; M363-K366 PolarHBondContact O-N 3.27Å; E364-K366 VanDerWaalsContact C-N 3.28Å; E364-K366 PolarHBondContact O-N 3.25Å; K366-E368 VanDerWaalsContact C-N 3.29Å; K366-E368 PolarHBondContact O-N 2.86Å; K366-K369 CarbonylContact O-C 3.48Å; K366-K369 WeakPolarHBondContact O-CB 3.49Å; K366-K369 PolarHBondContact O-N 3.32Å; K366-G370 PolarHBondContact O-N 2.8Å; K366-E371 HydrophobicContact CB-CB 4.04Å; K366-E371 HydrophobicContact CD-CB 4.23Å; K366-E371 WeakPolarHBondContact CD-OE2 3.33Å; K366-E371 HydrophobicContact CG-CB 4.45Å; K366-E371 IonicContact NZ-OE2 2.75Å; K366-E371 WeakPolarHBondContact O-CB 3.44Å; K366-E371 PolarHBondContact O-N 2.89Å; K366-I373 HydrophobicContact CB-CG2 3.91Å; K366-M376 HydrophobicContact CD-SD 3.55Å; K366-M376 VanDerWaalsContact CD-SD 3.55Å; K366-M376 HydrophobicContact CG-SD 4.19Å
367L98.4Very high98Very high32 Ų3253.1 Ų53.117%0.16830%0.304CS..Hα-helixtrans-63.8-34.6179-66.9172.3000112.1K301 L302 M363 E364 K369 G370 I373K301-L367 HydrophobicContact CB-CB 3.6Å; K301-L367 HydrophobicContact CB-CD1 4.03Å; K301-L367 HydrophobicContact CB-CG 4.47Å; K301-L367 HydrophobicContact CG-CB 4.23Å; L302-L367 HydrophobicContact CB-CD1 4.01Å; L302-L367 HydrophobicContact CD1-CD1 4.06Å; M363-L367 WeakPolarHBondContact O-CG 3.31Å; M363-L367 PolarHBondContact O-N 3.32Å; E364-L367 PolarHBondContact O-N 2.87Å; E364-L367 VanDerWaalsContact O-N 3.14Å; L367-K369 PolarHBondContact O-N 3.03Å; L367-G370 PolarHBondContact O-N 3.24Å; L367-I373 HydrophobicContact CD1-CD1 4.16Å; L367-I373 HydrophobicContact CD2-CG1 4.31Å; L367-I373 HydrophobicContact CD2-CG2 4.04Å; L367-I373 HydrophobicContact CG-CG2 3.92Å
368E97.9Very high97.9Very high93 Ų9354 Ų5444%0.43531%0.309SS..Hα-helixtrans-61.2-30.9172.7-74.7175.115900112.9Y125 K301 E364 K366 G370Y125-E368 WeakPolarHBondContact CE1-OE1 3.41Å; Y125-E368 PolarHBondContact OH-OE2 2.93Å; K301-E368 HydrophobicContact CG-CG 4.21Å; E364-E368 WeakPolarHBondContact O-CG 3.5Å; E364-E368 PolarHBondContact O-N 3.15Å; K366-E368 VanDerWaalsContact C-N 3.29Å; K366-E368 PolarHBondContact O-N 2.86Å; E368-G370 VanDerWaalsContact C-N 3.34Å
369K98.3Very high97.8Very high151 Ų15154.5 Ų54.566%0.65733%0.326SS*.THydrogen-bonded Turntrans-87.2-0.8175-63.9172.5-173.7177.50113.7K365 K366 L367 E371K365-K369 WeakPolarHBondContact O-CG 3.46Å; K365-K369 PolarHBondContact O-N 2.74Å; K366-K369 CarbonylContact O-C 3.48Å; K366-K369 WeakPolarHBondContact O-CB 3.49Å; K366-K369 PolarHBondContact O-N 3.32Å; L367-K369 PolarHBondContact O-N 3.03Å; K369-E371 VanDerWaalsContact C-N 3.31Å; K369-E371 HydrophobicContact CB-CG 4.1Å; K369-E371 WeakPolarHBondContact CD-OE1 3.32Å
370G97.5Very high97.6Very high71 Ų7158 Ų5873%0.73234%0.341SS*.THydrogen-bonded Turntrans74.618-174.100000114.2K366 L367 E368K366-G370 PolarHBondContact O-N 2.8Å; L367-G370 PolarHBondContact O-N 3.24Å; E368-G370 VanDerWaalsContact C-N 3.34Å
371E98.1Very high97.1Very high82 Ų8263.3 Ų63.338%0.38336%0.364SS..  trans-86.5147.6177.2-62174.5-153.300111.6K366 K369K366-E371 HydrophobicContact CB-CB 4.04Å; K366-E371 HydrophobicContact CD-CB 4.23Å; K366-E371 WeakPolarHBondContact CD-OE2 3.33Å; K366-E371 HydrophobicContact CG-CB 4.45Å; K366-E371 IonicContact NZ-OE2 2.75Å; K366-E371 WeakPolarHBondContact O-CB 3.44Å; K366-E371 PolarHBondContact O-N 2.89Å; K369-E371 VanDerWaalsContact C-N 3.31Å; K369-E371 HydrophobicContact CB-CG 4.1Å; K369-E371 WeakPolarHBondContact CD-OE1 3.32Å
372A97Very high97Very high71 Ų7166.2 Ų66.259%0.58738%0.38SS*.  trans-76148.2176.200000112.4
373I98.3Very high96.9Very high1 Ų164.1 Ų64.11%0.00537%0.374CS..  trans-112.78.6179.763.7164000113.6L302 I311 M363 K366 L367 G375 M376L302-I373 HydrophobicContact CD1-CD1 3.74Å; I311-I373 HydrophobicContact CD1-CD1 4.2Å; M363-I373 HydrophobicContact CB-CD1 4.32Å; M363-I373 HydrophobicContact CB-CG2 4.13Å; M363-I373 HydrophobicContact CG-CB 4.4Å; M363-I373 HydrophobicContact CG-CD1 4.34Å; M363-I373 HydrophobicContact CG-CG2 4.3Å; M363-I373 HydrophobicContact SD-CD1 4.3Å; K366-I373 HydrophobicContact CB-CG2 3.91Å; L367-I373 HydrophobicContact CD1-CD1 4.16Å; L367-I373 HydrophobicContact CD2-CG1 4.31Å; L367-I373 HydrophobicContact CD2-CG2 4.04Å; L367-I373 HydrophobicContact CG-CG2 3.92Å; I373-G375 PolarHBondContact O-N 3.48Å; I373-M376 HydrophobicContact CG2-SD 4.42Å; I373-M376 WeakPolarHBondContact O-CA 3.5Å; I373-M376 WeakPolarHBondContact O-CB 3.08Å; I373-M376 PolarHBondContact O-N 3.25Å
374D95.2Very high96.8Very high96 Ų9667.6 Ų67.651%0.51340%0.395SS..G310 helixtrans-58.6-33.9-176.9-66-78.2000113.4K307 M376K307-D374 IonicContact NZ-OD1 3.03Å; K307-D374 PolarHBondContact NZ-OD1 2.74Å; D374-M376 PolarHBondContact O-N 3.3Å
375G95.6Very high96.7Very high86 Ų8671.6 Ų71.689%0.88742%0.418SS*.G310 helixtrans-76.3-1.6174.500000114.9I373I373-G375 PolarHBondContact O-N 3.48Å
376M97.5Very high96.6Very high34 Ų3471.7 Ų71.717%0.16743%0.426CS..G310 helixtrans-110.6-2.7-178-62.2179.869.100113.2L359 E362 M363 K366 I373 D374 P378L359-M376 HydrophobicContact CD1-CE 3.86Å; E362-M376 HydrophobicContact CB-CE 3.76Å; M363-M376 HydrophobicContact CE-CB 3.75Å; M363-M376 WeakPolarHBondContact CE-O 3.26Å; M363-M376 HydrophobicContact CG-CB 4.28Å; M363-M376 HydrophobicContact CG-CE 3.97Å; M363-M376 HydrophobicContact CG-SD 4.37Å; K366-M376 HydrophobicContact CD-SD 3.55Å; K366-M376 VanDerWaalsContact CD-SD 3.55Å; K366-M376 HydrophobicContact CG-SD 4.19Å; I373-M376 HydrophobicContact CG2-SD 4.42Å; I373-M376 WeakPolarHBondContact O-CA 3.5Å; I373-M376 WeakPolarHBondContact O-CB 3.08Å; I373-M376 PolarHBondContact O-N 3.25Å; D374-M376 PolarHBondContact O-N 3.3Å; M376-P378 WeakPolarHBondContact O-CD 3.17Å; M376-P378 VanDerWaalsContact O-N 3.15Å
377I97.3Very high96.4Very high35 Ų3571.5 Ų71.518%0.17943%0.432CS..PPolyproline II helixtrans-61.6118.8179.4-54-57.7000108.8K307 I311K307-I377 HydrophobicContact CB-CD1 4.27Å; K307-I377 HydrophobicContact CD-CD1 3.72Å; K307-I377 HydrophobicContact CD-CG1 4.01Å; I311-I377 HydrophobicContact CD1-CD1 3.77Å; I311-I377 HydrophobicContact CG1-CD1 3.85Å
378P96.6Very high96.3Very high19 Ų1974.3 Ų74.312%0.12345%0.451CS..PPolyproline II helixtrans-68.8162.2-172.126-32.5000111.5R314 L315 L359 M376R314-P378 HydrophobicContact CB-CG 4.03Å; R314-P378 WeakPolarHBondContact CD-O 3.48Å; R314-P378 PolarHBondContact NH1-O 2.86Å; L315-P378 HydrophobicContact CD1-CG 4.45Å; L315-P378 HydrophobicContact CD2-CB 3.92Å; L315-P378 HydrophobicContact CD2-CG 3.77Å; L315-P378 HydrophobicContact CG-CB 4.5Å; L315-P378 HydrophobicContact CG-CG 3.81Å; L359-P378 HydrophobicContact CD2-CB 3.94Å; L359-P378 HydrophobicContact CD2-CG 4.03Å; M376-P378 WeakPolarHBondContact O-CD 3.17Å; M376-P378 VanDerWaalsContact O-N 3.15Å
379A96.4Very high96.2Very high77 Ų7772.8 Ų72.864%0.63645%0.452SS*.PPolyproline II helixtrans-68.5158.1163.600000110.2K381A379-K381 PolarHBondContact O-N 3.09Å
380Q95.3Very high96Very high111 Ų11166.3 Ų66.352%0.51944%0.435SS..PPolyproline II helixtrans-66.3120.4171.5-17960.660.300109.2T313T313-Q380 PolarHBondContact O-NE2 3.11Å
381K87.3Confident95.9Very high113 Ų11365.9 Ų65.949%0.49141%0.408SS..  trans-81.10170.1-67.6-172176.8-171.70112.1R314 R316 L352 A379R314-K381 WeakPolarHBondContact O-CB 3.44Å; R314-K381 PolarHBondContact O-N 3.22Å; R316-K381 WeakPolarHBondContact CD-O 3.31Å; R316-K381 HydrophobicContact CG-CB 4.15Å; L352-K381 HydrophobicContact CD1-CD 4.37Å; L352-K381 HydrophobicContact CG-CD 4.36Å; A379-K381 PolarHBondContact O-N 3.09Å

Retrieved 381 of 381 residues in 912.1 ms (Link to these results)

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