A0A061AKJ3_CAEEL Loading...

FERM domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AKJ3, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 743 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
1M37.1Very low61.8Low221 Ų221100.2 Ų100.2100%1.08954%0.537SS*.  0146.50-67.5-55.4-172.900109.3
2P45.9Very low61.9Low121 Ų121107.5 Ų107.579%0.78656%0.561SS**  trans-62.7140.5158.529.8-33.3000109S4P2-S4 PolarHBondContact O-N 3.28Å
3M53.6Low62.6Low102 Ų102102.8 Ų102.850%0.50254%0.539SS..  trans-64.4127.3-179.7-66.6-83.2-75.600110.2H5 P7 L10M3-H5 WeakPolarHBondContact CB-O 3.38Å; M3-H5 WeakPolarHBondContact CE-CE1 3.49Å; M3-H5 PolarHBondContact O-N 3.46Å; M3-P7 HydrophobicContact CE-CB 4.31Å; M3-P7 HydrophobicContact CE-CG 4.21Å; M3-L10 HydrophobicContact CE-CD1 3.9Å
4S64.7Low63.9Low71 Ų71102.5 Ų102.550%0.49754%0.538SS..SBendtrans-75.5-5.1178.1530000113.6P2P2-S4 PolarHBondContact O-N 3.28Å
5H67.5Low64.8Low18 Ų1899.1 Ų99.18%0.08352%0.519CS..SBendtrans-152.3159.9-177.347.271.6000110.6M3 I9 L10 Q15 V18M3-H5 WeakPolarHBondContact CB-O 3.38Å; M3-H5 WeakPolarHBondContact CE-CE1 3.49Å; M3-H5 PolarHBondContact O-N 3.46Å; H5-I9 HydrophobicContact CB-CD1 4.25Å; H5-L10 WeakPolarHBondContact CE1-CD1 3.43Å; H5-L10 WeakPolarHBondContact CE1-CD2 3.48Å; H5-L10 WeakPolarHBondContact CE1-CG 3.19Å; H5-Q15 PolarHBondContact CE1-OE1 2.93Å; H5-Q15 PolarHBondContact NE2-NE2 3.23Å; H5-Q15 PolarHBondContact NE2-OE1 3.06Å; H5-V18 WeakPolarHBondContact CD2-CG1 3.49Å
6P75.2Confident65.6Low54 Ų5498.1 Ų98.135%0.35152%0.522SS..  trans-62.1142.5172.6-24.735.6000112.6Y8 I9P6-Y8 HydrophobicContact CB-CD1 3.65Å; P6-Y8 HydrophobicContact CB-CE1 3.25Å; P6-Y8 HydrophobicContact CB-CE2 4.35Å; P6-Y8 HydrophobicContact CB-CG 4.34Å; P6-Y8 HydrophobicContact CG-CE1 3.94Å; P6-Y8 PolarHBondContact O-N 3.01Å; P6-I9 PolarHBondContact O-N 3.12Å
7P70Confident66.6Low93 Ų9396.9 Ų96.960%0.60451%0.513SS*.G310 helixtrans-55.9-29-176.3-27.134000115.2M3 I9 L10M3-P7 HydrophobicContact CE-CB 4.31Å; M3-P7 HydrophobicContact CE-CG 4.21Å; P7-I9 PolarHBondContact O-N 2.96Å; P7-L10 PolarHBondContact O-N 3.04Å
8Y69.1Low67.4Low156 Ų15692.4 Ų92.461%0.61249%0.49SS*.G310 helixtrans-67.6-12.7-179.765.4-106.9000114.2P6P6-Y8 HydrophobicContact CB-CD1 3.65Å; P6-Y8 HydrophobicContact CB-CE1 3.25Å; P6-Y8 HydrophobicContact CB-CE2 4.35Å; P6-Y8 HydrophobicContact CB-CG 4.34Å; P6-Y8 HydrophobicContact CG-CE1 3.94Å; P6-Y8 PolarHBondContact O-N 3.01Å
9I68.1Low68.2Low60 Ų6092.7 Ų92.731%0.30849%0.488SS..G310 helixtrans-73.5-35.3175.2-60.7-166.4000110.4H5 P6 P7 L11 K12 T13 V18H5-I9 HydrophobicContact CB-CD1 4.25Å; P6-I9 PolarHBondContact O-N 3.12Å; P7-I9 PolarHBondContact O-N 2.96Å; I9-L11 PolarHBondContact O-N 2.89Å; I9-K12 PolarHBondContact O-N 2.88Å; I9-K12 VanDerWaalsContact O-N 3.12Å; I9-T13 PolarHBondContact O-N 2.96Å; I9-T13 PolarHBondContact O-OG1 3.46Å; I9-V18 HydrophobicContact CG2-CG2 4.18Å
10L66.7Low69Low60 Ų6097.6 Ų97.631%0.31450%0.5SS..THydrogen-bonded Turntrans-68.3-15.7176.1-60.4-175000114.3M3 H5 P7 K12 T13 Q15 V18M3-L10 HydrophobicContact CE-CD1 3.9Å; H5-L10 WeakPolarHBondContact CE1-CD1 3.43Å; H5-L10 WeakPolarHBondContact CE1-CD2 3.48Å; H5-L10 WeakPolarHBondContact CE1-CG 3.19Å; P7-L10 PolarHBondContact O-N 3.04Å; L10-K12 PolarHBondContact O-N 2.96Å; L10-K12 VanDerWaalsContact O-N 3.12Å; L10-T13 WeakPolarHBondContact CA-O 3.43Å; L10-Q15 HydrophobicContact CD2-CB 4.19Å; L10-Q15 VanDerWaalsContact CD2-OE1 3.28Å; L10-V18 HydrophobicContact CD2-CG2 4.41Å
11L62.1Low69.7Low146 Ų14699.5 Ų99.576%0.76450%0.501SS*.THydrogen-bonded Turntrans-69.8-0.7171.7-57.5175.9000112.8I9I9-L11 PolarHBondContact O-N 2.89Å
12K62.6Low72Confident188 Ų18892.1 Ų92.182%0.81747%0.468SS*.THydrogen-bonded Turntrans-137.1-14-176.2-60.6-170178.4-172.30115.5I9 L10I9-K12 PolarHBondContact O-N 2.88Å; I9-K12 VanDerWaalsContact O-N 3.12Å; L10-K12 PolarHBondContact O-N 2.96Å; L10-K12 VanDerWaalsContact O-N 3.12Å
13T70.9Confident73.8Confident46 Ų4691.9 Ų91.928%0.28246%0.455SS..SBendtrans-154.7146.3-175.545.30000110.4I9 L10 V18I9-T13 PolarHBondContact O-N 2.96Å; I9-T13 PolarHBondContact O-OG1 3.46Å; L10-T13 WeakPolarHBondContact CA-O 3.43Å; T13-V18 WeakPolarHBondContact OG1-CG2 3.41Å
14D80.4Confident75.4Confident99 Ų9993.1 Ų93.153%0.52946%0.459SS..  trans-66148.1177.7179.147.7000113.2S16 E17 V18D14-S16 VanDerWaalsContact C-N 3.28Å; D14-S16 PolarHBondContact O-N 2.88Å; D14-S16 WeakPolarHBondContact OD2-CB 3.45Å; D14-S16 PolarHBondContact OD2-N 3.12Å; D14-S16 VanDerWaalsContact OD2-N 3.08Å; D14-S16 PolarHBondContact OD2-OG 3.45Å; D14-E17 PolarHBondContact O-N 3.23Å; D14-V18 WeakPolarHBondContact O-CG2 3.42Å; D14-V18 PolarHBondContact O-N 2.92Å; D14-V18 VanDerWaalsContact O-N 3.11Å
15Q77.8Confident76.2Confident52 Ų5296.6 Ų96.624%0.24347%0.466CS..Hα-helixtrans-54.1-44.9178.5-179.671.626.900111.4H5 L10 E17 V18 E19H5-Q15 PolarHBondContact CE1-OE1 2.93Å; H5-Q15 PolarHBondContact NE2-NE2 3.23Å; H5-Q15 PolarHBondContact NE2-OE1 3.06Å; L10-Q15 HydrophobicContact CD2-CB 4.19Å; L10-Q15 VanDerWaalsContact CD2-OE1 3.28Å; Q15-E17 VanDerWaalsContact C-N 3.28Å; Q15-E17 PolarHBondContact O-N 3.4Å; Q15-V18 PolarHBondContact O-N 3.1Å; Q15-E19 HydrophobicContact CG-CG 4.44Å; Q15-E19 PolarHBondContact NE2-OE1 3.13Å; Q15-E19 WeakPolarHBondContact O-CB 3.25Å; Q15-E19 WeakPolarHBondContact O-CG 3.28Å; Q15-E19 PolarHBondContact O-N 3.32Å
16S78.3Confident77Confident82 Ų82101 Ų10157%0.57349%0.485SS*.Hα-helixtrans-62.5-37-176.5-33.90000111.9D14 R20D14-S16 VanDerWaalsContact C-N 3.28Å; D14-S16 PolarHBondContact O-N 2.88Å; D14-S16 WeakPolarHBondContact OD2-CB 3.45Å; D14-S16 PolarHBondContact OD2-N 3.12Å; D14-S16 VanDerWaalsContact OD2-N 3.08Å; D14-S16 PolarHBondContact OD2-OG 3.45Å; S16-R20 WeakPolarHBondContact O-CB 3.32Å; S16-R20 PolarHBondContact O-N 3.49Å
17E82.3Confident77.4Confident79 Ų79106.8 Ų106.837%0.36950%0.5SS..Hα-helixtrans-74.1-41.4178.4-157-161.3171.300111.7D14 Q15 R20 R21D14-E17 PolarHBondContact O-N 3.23Å; Q15-E17 VanDerWaalsContact C-N 3.28Å; Q15-E17 PolarHBondContact O-N 3.4Å; E17-R20 PolarHBondContact O-N 3.02Å; E17-R21 WeakPolarHBondContact O-CB 3.36Å; E17-R21 VanDerWaalsContact O-CG 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.32Å; E17-R21 PolarHBondContact O-N 3.39Å; E17-R21 IonicContact OE1-CZ 3.74Å; E17-R21 IonicContact OE1-NE 2.65Å; E17-R21 PolarHBondContact OE1-NE 3.35Å; E17-R21 IonicContact OE1-NH2 2.68Å; E17-R21 PolarHBondContact OE1-NH2 3.28Å; E17-R21 IonicContact OE2-NH2 2.81Å
18V81.3Confident77.9Confident16 Ų16110.9 Ų110.910%0.09750%0.504CS..Hα-helixtrans-62.9-44.7175.8-178.90000110.3H5 I9 L10 T13 D14 Q15 R21 V22H5-V18 WeakPolarHBondContact CD2-CG1 3.49Å; I9-V18 HydrophobicContact CG2-CG2 4.18Å; L10-V18 HydrophobicContact CD2-CG2 4.41Å; T13-V18 WeakPolarHBondContact OG1-CG2 3.41Å; D14-V18 WeakPolarHBondContact O-CG2 3.42Å; D14-V18 PolarHBondContact O-N 2.92Å; D14-V18 VanDerWaalsContact O-N 3.11Å; Q15-V18 PolarHBondContact O-N 3.1Å; V18-R21 PolarHBondContact O-N 3.15Å; V18-V22 HydrophobicContact CG1-CG2 4.32Å; V18-V22 WeakPolarHBondContact O-CB 3.29Å; V18-V22 VanDerWaalsContact O-CG2 3.26Å; V18-V22 WeakPolarHBondContact O-CG2 3.45Å; V18-V22 PolarHBondContact O-N 3.35Å
19E82.9Confident78.4Confident98 Ų98109.6 Ų109.646%0.45850%0.499SS..Hα-helixtrans-62.2-43.2175.9-74.8-173.5-177.500112.3Q15 R21 V22 F23Q15-E19 HydrophobicContact CG-CG 4.44Å; Q15-E19 PolarHBondContact NE2-OE1 3.13Å; Q15-E19 WeakPolarHBondContact O-CB 3.25Å; Q15-E19 WeakPolarHBondContact O-CG 3.28Å; Q15-E19 PolarHBondContact O-N 3.32Å; E19-R21 PolarHBondContact O-N 3.2Å; E19-V22 PolarHBondContact O-N 3.41Å; E19-F23 WeakPolarHBondContact O-CB 3.17Å; E19-F23 PolarHBondContact O-N 3.4Å
20R83.9Confident78.9Confident189 Ų189116 Ų11671%0.71352%0.519SS*.Hα-helixtrans-58-49.7174.2-177.4-178.4173.9108.50.3111.7S16 E17 V22 F23 E24S16-R20 WeakPolarHBondContact O-CB 3.32Å; S16-R20 PolarHBondContact O-N 3.49Å; E17-R20 PolarHBondContact O-N 3.02Å; R20-V22 VanDerWaalsContact C-N 3.33Å; R20-V22 PolarHBondContact O-N 3.46Å; R20-F23 PolarHBondContact O-N 3.41Å; R20-E24 WeakPolarHBondContact O-CB 3.42Å; R20-E24 PolarHBondContact O-N 3.23Å
21R83.8Confident79.5Confident138 Ų138124.2 Ų124.252%0.52155%0.546SS..Hα-helixtrans-64.7-33.6179.1-70.5169.8176-140.66.2112.4E17 V18 E19 K25E17-R21 WeakPolarHBondContact O-CB 3.36Å; E17-R21 VanDerWaalsContact O-CG 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.32Å; E17-R21 PolarHBondContact O-N 3.39Å; E17-R21 IonicContact OE1-CZ 3.74Å; E17-R21 IonicContact OE1-NE 2.65Å; E17-R21 PolarHBondContact OE1-NE 3.35Å; E17-R21 IonicContact OE1-NH2 2.68Å; E17-R21 PolarHBondContact OE1-NH2 3.28Å; E17-R21 IonicContact OE2-NH2 2.81Å; V18-R21 PolarHBondContact O-N 3.15Å; E19-R21 PolarHBondContact O-N 3.2Å; R21-K25 PolarHBondContact O-N 3.3Å
22V84.9Confident80.4Confident67 Ų67121 Ų12141%0.40653%0.529SS..Hα-helixtrans-70.1-44.9173.5166.80000110.9V18 E19 R20 K25 F26V18-V22 HydrophobicContact CG1-CG2 4.32Å; V18-V22 WeakPolarHBondContact O-CB 3.29Å; V18-V22 VanDerWaalsContact O-CG2 3.26Å; V18-V22 WeakPolarHBondContact O-CG2 3.45Å; V18-V22 PolarHBondContact O-N 3.35Å; E19-V22 PolarHBondContact O-N 3.41Å; R20-V22 VanDerWaalsContact C-N 3.33Å; R20-V22 PolarHBondContact O-N 3.46Å; V22-K25 PolarHBondContact O-N 3.04Å; V22-F26 WeakPolarHBondContact O-CB 3.43Å; V22-F26 PolarHBondContact O-N 3.37Å
23F84.1Confident81.4Confident115 Ų115115.2 Ų115.250%0.50451%0.511SS..Hα-helixtrans-67.3-37.2-179.7-172-112.5000112.7E19 R20 F26 R27E19-F23 WeakPolarHBondContact O-CB 3.17Å; E19-F23 PolarHBondContact O-N 3.4Å; R20-F23 PolarHBondContact O-N 3.41Å; F23-F26 HydrophobicContact CD2-CD1 4.33Å; F23-F26 HydrophobicContact CE2-CD1 4.4Å; F23-F26 WeakPolarHBondContact O-CB 3.32Å; F23-F26 PolarHBondContact O-N 3.27Å; F23-R27 WeakPolarHBondContact O-CG 3.36Å; F23-R27 PolarHBondContact O-N 3.27Å
24E85.9Confident82Confident128 Ų128117.2 Ų117.260%0.59852%0.523SS*.Hα-helixtrans-58.2-49.5171.7-179.5171-134.900111.7R20 F26 R27R20-E24 WeakPolarHBondContact O-CB 3.42Å; R20-E24 PolarHBondContact O-N 3.23Å; E24-F26 VanDerWaalsContact C-N 3.35Å; E24-F26 PolarHBondContact O-N 3.26Å; E24-R27 WeakPolarHBondContact O-CB 3.37Å; E24-R27 PolarHBondContact O-N 2.88Å
25K82.9Confident82.1Confident145 Ų145112.5 Ų112.563%0.6350%0.498SS*.Hα-helixtrans-64.8-37.6173.5-71.7-178.9178.4-179.50112.2R21 V22 R27 Y28 Y29R21-K25 PolarHBondContact O-N 3.3Å; V22-K25 PolarHBondContact O-N 3.04Å; K25-R27 VanDerWaalsContact C-N 3.3Å; K25-R27 PolarHBondContact O-N 3.48Å; K25-Y28 WeakPolarHBondContact O-CB 3.39Å; K25-Y28 PolarHBondContact O-N 2.96Å; K25-Y29 WeakPolarHBondContact O-CD2 3.27Å; K25-Y29 PolarHBondContact O-N 3.21Å
26F84.1Confident82.4Confident110 Ų110111.9 Ų111.948%0.48250%0.498SS..Hα-helixtrans-61.4-36.3176.3178.7-104.7000112.3V22 F23 E24 Y28 Y29 R30V22-F26 WeakPolarHBondContact O-CB 3.43Å; V22-F26 PolarHBondContact O-N 3.37Å; F23-F26 HydrophobicContact CD2-CD1 4.33Å; F23-F26 HydrophobicContact CE2-CD1 4.4Å; F23-F26 WeakPolarHBondContact O-CB 3.32Å; F23-F26 PolarHBondContact O-N 3.27Å; E24-F26 VanDerWaalsContact C-N 3.35Å; E24-F26 PolarHBondContact O-N 3.26Å; F26-Y28 VanDerWaalsContact C-N 3.26Å; F26-Y28 PolarHBondContact O-N 3.37Å; F26-Y29 CarbonylContact O-C 3.6Å; F26-Y29 PolarHBondContact O-N 2.9Å; F26-R30 HydrophobicContact CE1-CB 4.26Å; F26-R30 HydrophobicContact CE1-CG 4.36Å; F26-R30 HydrophobicContact CZ-CB 4.29Å; F26-R30 HydrophobicContact CZ-CG 4.36Å; F26-R30 VanDerWaalsContact O-CB 3.3Å; F26-R30 WeakPolarHBondContact O-CB 3.43Å; F26-R30 PolarHBondContact O-N 3.07Å
27R83.4Confident82.7Confident176 Ų176109.5 Ų109.566%0.66449%0.486SS*.Hα-helixtrans-57.9-37.1174.7-74.3175.8171.2-159.2-5112.8F23 E24 K25F23-R27 WeakPolarHBondContact O-CG 3.36Å; F23-R27 PolarHBondContact O-N 3.27Å; E24-R27 WeakPolarHBondContact O-CB 3.37Å; E24-R27 PolarHBondContact O-N 2.88Å; K25-R27 VanDerWaalsContact C-N 3.3Å; K25-R27 PolarHBondContact O-N 3.48Å
28Y79.8Confident82.9Confident179 Ų179109.6 Ų109.670%0.70249%0.488SS*.Hα-helixtrans-68.3-48.3174-177.2-94.9000111.4K25 F26K25-Y28 WeakPolarHBondContact O-CB 3.39Å; K25-Y28 PolarHBondContact O-N 2.96Å; F26-Y28 VanDerWaalsContact C-N 3.26Å; F26-Y28 PolarHBondContact O-N 3.37Å
29Y80Confident83.1Confident128 Ų128109.1 Ų109.150%0.50248%0.484SS..Hα-helixtrans-78.3-16.3-176.6-66.2-65.2000115.2K25 F26 R31 L32K25-Y29 WeakPolarHBondContact O-CD2 3.27Å; K25-Y29 PolarHBondContact O-N 3.21Å; F26-Y29 CarbonylContact O-C 3.6Å; F26-Y29 PolarHBondContact O-N 2.9Å; Y29-R31 PolarHBondContact O-N 2.91Å; Y29-L32 HydrophobicContact CD1-CD1 3.82Å; Y29-L32 HydrophobicContact CE1-CD1 4.43Å; Y29-L32 PolarHBondContact O-N 3.35Å
30R78.4Confident83.2Confident194 Ų194107.2 Ų107.273%0.73248%0.482SS*.THydrogen-bonded Turntrans-56.7-23.7-179.4179.1177175.9-162.6-1.7113.9F26F26-R30 HydrophobicContact CE1-CB 4.26Å; F26-R30 HydrophobicContact CE1-CG 4.36Å; F26-R30 HydrophobicContact CZ-CB 4.29Å; F26-R30 HydrophobicContact CZ-CG 4.36Å; F26-R30 VanDerWaalsContact O-CB 3.3Å; F26-R30 WeakPolarHBondContact O-CB 3.43Å; F26-R30 PolarHBondContact O-N 3.07Å
31R79.3Confident83.3Confident234 Ų234105.2 Ų105.288%0.88348%0.479SS*.THydrogen-bonded Turntrans-87.2-4.4178.1-63.3-170.5-179-142.21.8114.1Y29Y29-R31 PolarHBondContact O-N 2.91Å
32L81.9Confident83.5Confident77 Ų77101.9 Ų101.940%0.40347%0.47SS..SBendtrans-89.4145.9177.6-60.4-170.1000112.1Y29 T36Y29-L32 HydrophobicContact CD1-CD1 3.82Å; Y29-L32 HydrophobicContact CE1-CD1 4.43Å; Y29-L32 PolarHBondContact O-N 3.35Å; L32-T36 HydrophobicContact CD1-CG2 4.44Å
33P83.2Confident83.6Confident67 Ų67102.9 Ų102.944%0.43547%0.469SS..  trans-57.8146.1167.7-2535.3000112.7G35 T36 G37 N217P33-G35 PolarHBondContact O-N 2.92Å; P33-T36 WeakPolarHBondContact O-CA 3.47Å; P33-T36 VanDerWaalsContact O-CB 3.28Å; P33-T36 WeakPolarHBondContact O-CB 3.27Å; P33-T36 PolarHBondContact O-N 2.72Å; P33-G37 PolarHBondContact O-N 3.48Å; P33-N217 VanDerWaalsContact CB-CG 3.45Å; P33-N217 WeakPolarHBondContact CB-ND2 3.32Å; P33-N217 WeakPolarHBondContact CB-OD1 3.5Å
34V82.6Confident83.8Confident89 Ų89102.9 Ų102.954%0.53947%0.474SS..Hα-helixtrans-60.7-43.8-171.2-177.90000112.2T36 G37 M38 T220V34-T36 VanDerWaalsContact C-N 3.32Å; V34-T36 PolarHBondContact O-N 2.92Å; V34-G37 CarbonylContact O-C 3.58Å; V34-G37 WeakPolarHBondContact O-CA 3.49Å; V34-G37 PolarHBondContact O-N 2.91Å; V34-G37 VanDerWaalsContact O-N 3.11Å; V34-M38 HydrophobicContact CG1-CG 4.47Å; V34-M38 HydrophobicContact CG1-SD 4.27Å; V34-M38 WeakPolarHBondContact O-CG 3.43Å; V34-M38 PolarHBondContact O-N 3.22Å; V34-T220 HydrophobicContact CB-CG2 4.07Å; V34-T220 HydrophobicContact CG1-CG2 3.93Å
35G82.9Confident83.9Confident0 Ų097.9 Ų97.90%046%0.455CS..Hα-helixtrans-62.5-35.617500000113.2P33 G37 M38 I39 N217P33-G35 PolarHBondContact O-N 2.92Å; G35-G37 VanDerWaalsContact C-N 3.33Å; G35-M38 PolarHBondContact O-N 2.68Å; G35-I39 WeakPolarHBondContact O-CG1 3.38Å; G35-I39 PolarHBondContact O-N 3.33Å; G35-N217 WeakPolarHBondContact CA-OD1 3.45Å; G35-N217 PolarHBondContact N-OD1 3.05Å
36T84.6Confident84Confident39 Ų3995.5 Ų95.524%0.23945%0.445CS..Hα-helixtrans-63.8-40.6172.5-48.90000110.9L32 P33 V34 S40 T213 N217L32-T36 HydrophobicContact CD1-CG2 4.44Å; P33-T36 WeakPolarHBondContact O-CA 3.47Å; P33-T36 VanDerWaalsContact O-CB 3.28Å; P33-T36 WeakPolarHBondContact O-CB 3.27Å; P33-T36 PolarHBondContact O-N 2.72Å; V34-T36 VanDerWaalsContact C-N 3.32Å; V34-T36 PolarHBondContact O-N 2.92Å; T36-S40 WeakPolarHBondContact O-CB 3.33Å; T36-S40 PolarHBondContact O-N 2.92Å; T36-S40 PolarHBondContact O-OG 3.44Å; T36-T213 HydrophobicContact CG2-CG2 4.49Å; T36-T213 WeakPolarHBondContact OG1-CG2 3.36Å; T36-N217 PolarHBondContact N-OD1 3.16Å; T36-N217 PolarHBondContact OG1-ND2 3.41Å
37G85Confident84Confident32 Ų3298.4 Ų98.433%0.3346%0.458SS..Hα-helixtrans-62.5-47.2172.200000112.7P33 V34 G35 I39 S40 F41P33-G37 PolarHBondContact O-N 3.48Å; V34-G37 CarbonylContact O-C 3.58Å; V34-G37 WeakPolarHBondContact O-CA 3.49Å; V34-G37 PolarHBondContact O-N 2.91Å; V34-G37 VanDerWaalsContact O-N 3.11Å; G35-G37 VanDerWaalsContact C-N 3.33Å; G37-I39 PolarHBondContact O-N 3.35Å; G37-S40 PolarHBondContact O-N 3.39Å; G37-F41 PolarHBondContact O-N 2.99Å
38M85.3Confident83.9Confident81 Ų8193 Ų9340%0.39945%0.447SS..Hα-helixtrans-59.3-45.7177.7-69.4172.671.500112.3V34 G35 F41 I42 L216V34-M38 HydrophobicContact CG1-CG 4.47Å; V34-M38 HydrophobicContact CG1-SD 4.27Å; V34-M38 WeakPolarHBondContact O-CG 3.43Å; V34-M38 PolarHBondContact O-N 3.22Å; G35-M38 PolarHBondContact O-N 2.68Å; M38-F41 PolarHBondContact O-N 2.93Å; M38-I42 WeakPolarHBondContact O-CG1 3.39Å; M38-I42 PolarHBondContact O-N 3.33Å; M38-L216 HydrophobicContact CB-CD1 4.42Å; M38-L216 HydrophobicContact CE-CD2 4.04Å; M38-L216 HydrophobicContact SD-CD2 4.41Å
39I85.9Confident83.7Confident6 Ų690.8 Ų90.83%0.03144%0.443CS..Hα-helixtrans-69.6-34.3178.6-67.4-65.3000111.7G35 G37 I42 K43 H209 L212 L216G35-I39 WeakPolarHBondContact O-CG1 3.38Å; G35-I39 PolarHBondContact O-N 3.33Å; G37-I39 PolarHBondContact O-N 3.35Å; I39-I42 HydrophobicContact CD1-CD1 4.4Å; I39-I42 PolarHBondContact O-N 2.97Å; I39-K43 HydrophobicContact CG2-CD 4.14Å; I39-K43 HydrophobicContact CG2-CG 4.48Å; I39-K43 WeakPolarHBondContact O-CB 3.36Å; I39-K43 VanDerWaalsContact O-CG 3.29Å; I39-K43 WeakPolarHBondContact O-CG 3.45Å; I39-K43 PolarHBondContact O-N 3.35Å; I39-H209 HydrophobicContact CG2-CB 4.04Å; I39-L212 HydrophobicContact CD1-CD2 3.55Å; I39-L212 HydrophobicContact CD1-CG 3.84Å; I39-L216 HydrophobicContact CD1-CD1 3.84Å; I39-L216 HydrophobicContact CG1-CD1 3.79Å
40S85Confident83.7Confident58 Ų5888.2 Ų88.241%0.40644%0.444SS..Hα-helixtrans-64.9-39.5172.4-580000112T36 G37 L44T36-S40 WeakPolarHBondContact O-CB 3.33Å; T36-S40 PolarHBondContact O-N 2.92Å; T36-S40 PolarHBondContact O-OG 3.44Å; G37-S40 PolarHBondContact O-N 3.39Å; S40-L44 PolarHBondContact O-N 3.3Å; S40-L44 VanDerWaalsContact O-N 3.13Å
41F87.2Confident84Confident147 Ų14783.9 Ų83.965%0.64543%0.428SS*.Hα-helixtrans-65-45.7173.6178.3-94.8000112.1G37 M38 K43 L44 A45G37-F41 PolarHBondContact O-N 2.99Å; M38-F41 PolarHBondContact O-N 2.93Å; F41-K43 PolarHBondContact O-N 3.04Å; F41-L44 WeakPolarHBondContact O-CB 3.42Å; F41-L44 PolarHBondContact O-N 3.23Å; F41-L44 VanDerWaalsContact O-N 3.08Å; F41-A45 PolarHBondContact O-N 3.02Å
42I88.1Confident84.3Confident67 Ų6774.8 Ų74.834%0.34441%0.407SS..Hα-helixtrans-62.3-43.6178.1-68.5164.5000111M38 I39 L44 A45 E46M38-I42 WeakPolarHBondContact O-CG1 3.39Å; M38-I42 PolarHBondContact O-N 3.33Å; I39-I42 HydrophobicContact CD1-CD1 4.4Å; I39-I42 PolarHBondContact O-N 2.97Å; I42-L44 PolarHBondContact O-N 3.32Å; I42-A45 PolarHBondContact O-N 3.2Å; I42-E46 WeakPolarHBondContact O-CB 3.47Å; I42-E46 PolarHBondContact O-N 3.41Å
43K86.4Confident84.6Confident88 Ų8872.9 Ų72.938%0.38340%0.395SS..Hα-helixtrans-64-21174.2-74.5175.3177.4-179.90114.1I39 F41 H209I39-K43 HydrophobicContact CG2-CD 4.14Å; I39-K43 HydrophobicContact CG2-CG 4.48Å; I39-K43 WeakPolarHBondContact O-CB 3.36Å; I39-K43 VanDerWaalsContact O-CG 3.29Å; I39-K43 WeakPolarHBondContact O-CG 3.45Å; I39-K43 PolarHBondContact O-N 3.35Å; F41-K43 PolarHBondContact O-N 3.04Å; K43-H209 WeakPolarHBondContact CE-CD2 3.31Å; K43-H209 WeakPolarHBondContact CE-ND1 3.48Å; K43-H209 WeakPolarHBondContact CE-NE2 3.38Å
44L88.3Confident85Confident116 Ų11676.7 Ų76.761%0.60740%0.401SS*.Hα-helixtrans-84.7-41.8172-176.760.8000111S40 F41 I42 K47S40-L44 PolarHBondContact O-N 3.3Å; S40-L44 VanDerWaalsContact O-N 3.13Å; F41-L44 WeakPolarHBondContact O-CB 3.42Å; F41-L44 PolarHBondContact O-N 3.23Å; F41-L44 VanDerWaalsContact O-N 3.08Å; I42-L44 PolarHBondContact O-N 3.32Å; L44-K47 WeakPolarHBondContact O-CB 3.47Å; L44-K47 PolarHBondContact O-N 3.29Å
45A87.3Confident85.4Confident23 Ų2376.3 Ų76.319%0.1939%0.394CS..Hα-helixtrans-63.3-38.9176.900000112.5F41 I42 K47 S48 Y51F41-A45 PolarHBondContact O-N 3.02Å; I42-A45 PolarHBondContact O-N 3.2Å; A45-K47 PolarHBondContact O-N 2.9Å; A45-K47 VanDerWaalsContact O-N 3.12Å; A45-S48 VanDerWaalsContact O-CB 3.27Å; A45-S48 WeakPolarHBondContact O-CB 3.34Å; A45-S48 PolarHBondContact O-N 3.16Å; A45-Y51 HydrophobicContact CB-CD2 3.88Å; A45-Y51 HydrophobicContact CB-CE2 3.91Å; A45-Y51 WeakPolarHBondContact O-CB 3.27Å
46E84.7Confident85.8Confident94 Ų9478 Ų7844%0.43940%0.401SS..THydrogen-bonded Turntrans-58.5-23.6177.1-173.5177.8-172.900113.6I42 S48 Y51I42-E46 WeakPolarHBondContact O-CB 3.47Å; I42-E46 PolarHBondContact O-N 3.41Å; E46-S48 VanDerWaalsContact C-N 3.28Å; E46-S48 PolarHBondContact O-N 3.32Å; E46-Y51 HydrophobicContact CB-CD1 4.36Å; E46-Y51 HydrophobicContact CB-CE1 4.41Å
47K84.2Confident86.2Confident172 Ų17279.4 Ų79.475%0.74841%0.405SS*.THydrogen-bonded Turntrans-77.3-10.9175.4-59.5-179.9-177.9-176.10113.5L44 A45L44-K47 WeakPolarHBondContact O-CB 3.47Å; L44-K47 PolarHBondContact O-N 3.29Å; A45-K47 PolarHBondContact O-N 2.9Å; A45-K47 VanDerWaalsContact O-N 3.12Å
48S83Confident86.5Confident62 Ų6278 Ų7843%0.43439%0.39SS..SBendtrans-79.7131.9177.5-168.90000110.8A45 E46 S50 Y51A45-S48 VanDerWaalsContact O-CB 3.27Å; A45-S48 WeakPolarHBondContact O-CB 3.34Å; A45-S48 PolarHBondContact O-N 3.16Å; E46-S48 VanDerWaalsContact C-N 3.28Å; E46-S48 PolarHBondContact O-N 3.32Å; S48-S50 PolarHBondContact O-N 2.88Å; S48-S50 VanDerWaalsContact O-N 3.17Å; S48-Y51 WeakPolarHBondContact O-CB 3.45Å; S48-Y51 PolarHBondContact O-N 3.42Å
49E75.6Confident86.8Confident133 Ų13376.1 Ų76.162%0.62138%0.381SS*.THydrogen-bonded Turntrans-62.9-24.5-175-61.4175150.700113.5Y53 I87E49-Y53 VanDerWaalsContact O-CD2 3.23Å; E49-Y53 WeakPolarHBondContact O-CD2 3.17Å; E49-Y53 WeakPolarHBondContact O-CE2 3.43Å; E49-I87 WeakPolarHBondContact OE2-CG2 3.38Å
50S78.1Confident87Confident74 Ų7477.9 Ų77.952%0.51739%0.391SS..THydrogen-bonded Turntrans-88.3-8.5175.758.90000114S48 G52 Y53S48-S50 PolarHBondContact O-N 2.88Å; S48-S50 VanDerWaalsContact O-N 3.17Å; S50-G52 PolarHBondContact O-N 3.41Å; S50-Y53 PolarHBondContact O-N 2.95Å
51Y86.2Confident87Confident102 Ų10281 Ų8140%0.440%0.399SS..THydrogen-bonded Turntrans-70.4126.7-174.9-178.4-93000112.2A45 E46 S48 Y53A45-Y51 HydrophobicContact CB-CD2 3.88Å; A45-Y51 HydrophobicContact CB-CE2 3.91Å; A45-Y51 WeakPolarHBondContact O-CB 3.27Å; E46-Y51 HydrophobicContact CB-CD1 4.36Å; E46-Y51 HydrophobicContact CB-CE1 4.41Å; S48-Y51 WeakPolarHBondContact O-CB 3.45Å; S48-Y51 PolarHBondContact O-N 3.42Å; Y51-Y53 VanDerWaalsContact O-CD2 3.31Å; Y51-Y53 WeakPolarHBondContact O-CD2 3.44Å; Y51-Y53 PolarHBondContact O-N 3.28Å
52G85.8Confident87Confident43 Ų4379.8 Ų79.844%0.44340%0.399SS..THydrogen-bonded Turntrans75.57.5-179.300000114.9S50S50-G52 PolarHBondContact O-N 3.41Å
53Y88.1Confident86.9Confident38 Ų3882.2 Ų82.215%0.14941%0.413CS..  trans-99.5138.9177.6-75.1-83.7000112.5E49 S50 Y51 S69 I70 Y72 Y76E49-Y53 VanDerWaalsContact O-CD2 3.23Å; E49-Y53 WeakPolarHBondContact O-CD2 3.17Å; E49-Y53 WeakPolarHBondContact O-CE2 3.43Å; S50-Y53 PolarHBondContact O-N 2.95Å; Y51-Y53 VanDerWaalsContact O-CD2 3.31Å; Y51-Y53 WeakPolarHBondContact O-CD2 3.44Å; Y51-Y53 PolarHBondContact O-N 3.28Å; Y53-S69 WeakPolarHBondContact CD1-OG 3.43Å; Y53-I70 WeakPolarHBondContact CA-O 3.41Å; Y53-Y72 HydrophobicContact CE2-CE1 4.38Å; Y53-Y76 HydrophobicContact CD1-CD2 4.46Å; Y53-Y76 AromaticContact CE1-CD2 3.64Å; Y53-Y76 HydrophobicContact CE1-CD2 3.64Å; Y53-Y76 AromaticContact CE1-CE2 3.64Å; Y53-Y76 HydrophobicContact CE1-CE2 3.64Å; Y53-Y76 AromaticContact CZ-CE2 3.99Å; Y53-Y76 WeakPolarHBondContact OH-CE2 3.31Å
54R91.1Very high86.9Confident146 Ų14681.4 Ų81.455%0.55141%0.412SS*.EExtended strand (participates in β ladder)trans-112.9117175.1-64.9-175.9175.1-161.5-5109.7Y56 S69 I70R54-Y56 HydrophobicContact CB-CE2 3.62Å; R54-Y56 WeakPolarHBondContact O-CD2 3.39Å; R54-Y56 WeakPolarHBondContact O-CE2 3.38Å; R54-S69 CarbonylContact O-C 3.58Å; R54-S69 WeakPolarHBondContact O-CA 3.32Å; R54-I70 PolarHBondContact N-O 3.44Å; R54-I70 PolarHBondContact O-N 2.89Å
55M91.3Very high87Confident82 Ų8281.2 Ų81.240%0.40441%0.407SS..EExtended strand (participates in β ladder)trans-97.6135.7-177.6-66.1-178.5-177.500111.6I67 L68 L86M55-I67 HydrophobicContact CB-CG2 3.75Å; M55-I67 HydrophobicContact CG-CG2 4.11Å; M55-I67 HydrophobicContact SD-CG2 4.38Å; M55-L68 CarbonylContact C-O 3.6Å; M55-L68 WeakPolarHBondContact CA-O 3.37Å; M55-L86 HydrophobicContact SD-CD2 4.33Å
56Y91.9Very high87.1Confident36 Ų3680.5 Ų80.514%0.14140%0.4CS..EExtended strand (participates in β ladder)trans-133.9138.3-179-59.3-87.1000110.6R54 I67 L68 I70 V173 T176 V177 S180R54-Y56 HydrophobicContact CB-CE2 3.62Å; R54-Y56 WeakPolarHBondContact O-CD2 3.39Å; R54-Y56 WeakPolarHBondContact O-CE2 3.38Å; Y56-I67 CarbonylContact O-C 3.57Å; Y56-I67 WeakPolarHBondContact O-CA 3.47Å; Y56-L68 PolarHBondContact N-O 3.49Å; Y56-L68 PolarHBondContact O-N 3.01Å; Y56-I70 HydrophobicContact CD2-CD1 4.2Å; Y56-I70 HydrophobicContact CE2-CD1 4.04Å; Y56-V173 HydrophobicContact CD1-CG1 4.4Å; Y56-T176 HydrophobicContact CE1-CG2 4.02Å; Y56-V177 HydrophobicContact CD1-CG2 3.65Å; Y56-V177 HydrophobicContact CD2-CG2 3.77Å; Y56-V177 HydrophobicContact CE1-CG2 4.2Å; Y56-V177 HydrophobicContact CE2-CG2 4.3Å; Y56-V177 HydrophobicContact CG-CG2 3.41Å; Y56-V177 VanDerWaalsContact CG-CG2 3.41Å; Y56-S180 PolarHBondContact OH-OG 3.17Å; Y56-S180 VanDerWaalsContact OH-OG 3.08Å
57E91.3Very high87.4Confident67 Ų6777.2 Ų77.231%0.31339%0.386SS..EExtended strand (participates in β ladder)trans-76.5129.1171178.7167.3-176.300110.8K65 R80E57-K65 IonicContact OE1-NZ 3.65Å; E57-K65 PolarHBondContact OE1-NZ 2.96Å; E57-R80 IonicContact OE1-NH1 3.7Å; E57-R80 PolarHBondContact OE1-NH1 3.01Å; E57-R80 IonicContact OE2-CZ 2.67Å; E57-R80 IonicContact OE2-NH1 3.98Å; E57-R80 PolarHBondContact OE2-NH1 3Å
58A92Very high87.7Confident2 Ų269 Ų692%0.01735%0.35CS..EExtended strand (participates in β ladder)trans-142.9164.2176.400000111.4C66 F166A58-C66 PolarHBondContact N-O 2.92Å; A58-C66 PolarHBondContact O-N 2.94Å; A58-C66 PolarHBondContact O-SG 3.37Å; A58-F166 HydrophobicContact CB-CB 4.29Å
59L92.3Very high88.2Confident42 Ų4266.1 Ų66.122%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-108.1130.5174.9-59.8159.5000108.2N63 D64 K65 F166 T167L59-N63 WeakPolarHBondContact CD2-O 3.43Å; L59-D64 CarbonylContact C-O 3.59Å; L59-D64 WeakPolarHBondContact CA-O 3.48Å; L59-K65 HydrophobicContact CD2-CG 3.73Å; L59-F166 CarbonylContact O-C 3.59Å; L59-F166 VanDerWaalsContact O-CA 3.31Å; L59-F166 WeakPolarHBondContact O-CA 3.48Å; L59-T167 WeakPolarHBondContact CB-O 3.42Å; L59-T167 PolarHBondContact N-O 2.9Å; L59-T167 PolarHBondContact O-N 3.37Å
60N88.6Confident89Confident44 Ų4459.9 Ų59.924%0.23530%0.3CS..  trans-75.7178.9175.7-165.124.6000111.3N62 N63 D64N60-N62 VanDerWaalsContact C-N 3.25Å; N60-N62 PolarHBondContact O-N 3.22Å; N60-N63 WeakPolarHBondContact O-CA 3.43Å; N60-N63 PolarHBondContact O-N 3.09Å; N60-D64 HydrophobicContact CB-CB 4.3Å; N60-D64 PolarHBondContact N-O 3.2Å
61E86.6Confident89.7Confident124 Ų12456.3 Ų56.358%0.57928%0.276SS*.THydrogen-bonded Turntrans-47.8-45.2172.4-76.3-174.5133.100113.5N63 P165E61-N63 PolarHBondContact O-N 3.25Å; E61-P165 HydrophobicContact CG-CG 3.54Å; E61-P165 VanDerWaalsContact OE1-CD 3.27Å; E61-P165 WeakPolarHBondContact OE1-CD 3.35Å; E61-P165 WeakPolarHBondContact OE1-CG 3.45Å
62N86.4Confident89.8Confident121 Ų12155.2 Ų55.265%0.64727%0.271SS*.THydrogen-bonded Turntrans-69.25.1177.6-60.1-8.8000114N60 D64N60-N62 VanDerWaalsContact C-N 3.25Å; N60-N62 PolarHBondContact O-N 3.22Å; N62-D64 HydrophobicContact CB-CB 4.41Å; N62-D64 PolarHBondContact O-N 3.43Å
63N85.1Confident89.9Confident117 Ų11758.4 Ų58.463%0.62627%0.273SS*.  trans60.414.7-167.2-154.429.9000114.2L59 N60 E61L59-N63 WeakPolarHBondContact CD2-O 3.43Å; N60-N63 WeakPolarHBondContact O-CA 3.43Å; N60-N63 PolarHBondContact O-N 3.09Å; E61-N63 PolarHBondContact O-N 3.25Å
64D87.8Confident90.1Very high71 Ų7156.6 Ų56.638%0.3827%0.266SS..  trans-67.3133.3176-90.7-45.4000111.6L59 N60 N62 C66L59-D64 CarbonylContact C-O 3.59Å; L59-D64 WeakPolarHBondContact CA-O 3.48Å; N60-D64 HydrophobicContact CB-CB 4.3Å; N60-D64 PolarHBondContact N-O 3.2Å; N62-D64 HydrophobicContact CB-CB 4.41Å; N62-D64 PolarHBondContact O-N 3.43Å; D64-C66 PolarHBondContact O-N 3.49Å
65K88.9Confident90.2Very high113 Ų11349.7 Ų49.749%0.49124%0.24SC..EExtended strand (participates in β ladder)trans-69.3118.9173-75.6-176173.7-118.60111.4E57 L59 R80E57-K65 IonicContact OE1-NZ 3.65Å; E57-K65 PolarHBondContact OE1-NZ 2.96Å; L59-K65 HydrophobicContact CD2-CG 3.73Å; K65-R80 HydrophobicContact CB-CB 4.15Å; K65-R80 VanDerWaalsContact O-CB 3.27Å; K65-R80 WeakPolarHBondContact O-CB 3.4Å; K65-R80 PolarHBondContact O-N 2.96Å
66C89.8Confident90.1Very high8 Ų847.6 Ų47.65%0.05423%0.228CC..EExtended strand (participates in β ladder)trans-127.3165.2176.167.80000111.1A58 D64 I77 Y78A58-C66 PolarHBondContact N-O 2.92Å; A58-C66 PolarHBondContact O-N 2.94Å; A58-C66 PolarHBondContact O-SG 3.37Å; D64-C66 PolarHBondContact O-N 3.49Å; C66-I77 HydrophobicContact CB-CG2 3.87Å; C66-Y78 WeakPolarHBondContact CA-O 3.22Å
67I90.6Very high90.1Very high25 Ų2546.3 Ų46.313%0.12822%0.223CC..EExtended strand (participates in β ladder)trans-115.7117171.9-61.6172.7000107.6M55 Y56 I77 Y78 L86M55-I67 HydrophobicContact CB-CG2 3.75Å; M55-I67 HydrophobicContact CG-CG2 4.11Å; M55-I67 HydrophobicContact SD-CG2 4.38Å; Y56-I67 CarbonylContact O-C 3.57Å; Y56-I67 WeakPolarHBondContact O-CA 3.47Å; I67-I77 WeakPolarHBondContact O-CA 3.48Å; I67-Y78 PolarHBondContact N-O 2.73Å; I67-Y78 PolarHBondContact O-N 3.29Å; I67-L86 HydrophobicContact CD1-CD2 3.56Å; I67-L86 HydrophobicContact CD1-CG 4.24Å
68L92.1Very high89.9Confident0 Ų044 Ų440%021%0.212CC..EExtended strand (participates in β ladder)trans-89.7114.7177.2-170.872.5000108.5M55 Y56 I70 I75 I77 F108 V177M55-L68 CarbonylContact C-O 3.6Å; M55-L68 WeakPolarHBondContact CA-O 3.37Å; Y56-L68 PolarHBondContact N-O 3.49Å; Y56-L68 PolarHBondContact O-N 3.01Å; L68-I70 HydrophobicContact CD2-CD1 4.41Å; L68-I75 HydrophobicContact CD1-CG2 3.39Å; L68-I75 HydrophobicContact CG-CG2 4.05Å; L68-I77 HydrophobicContact CD1-CG1 3.85Å; L68-F108 HydrophobicContact CD2-CD1 3.97Å; L68-F108 HydrophobicContact CD2-CE1 3.76Å; L68-V177 HydrophobicContact CD2-CG1 3.56Å
69S92Very high89.4Confident0 Ų052.6 Ų52.60%024%0.244CC..EExtended strand (participates in β ladder)trans-107.3122.4179.9-171.50000110.2Y53 R54 I75 Y76Y53-S69 WeakPolarHBondContact CD1-OG 3.43Å; R54-S69 CarbonylContact O-C 3.58Å; R54-S69 WeakPolarHBondContact O-CA 3.32Å; S69-I75 CarbonylContact O-C 3.57Å; S69-I75 WeakPolarHBondContact O-CA 3.27Å; S69-Y76 PolarHBondContact N-O 3.04Å; S69-Y76 PolarHBondContact O-N 3.17Å
70I93.9Very high88.5Confident2 Ų256.8 Ų56.81%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-114125.9-178-63.6166000108.7Y53 R54 Y56 L68 I75 W95 V177 A181 Q184Y53-I70 WeakPolarHBondContact CA-O 3.41Å; R54-I70 PolarHBondContact N-O 3.44Å; R54-I70 PolarHBondContact O-N 2.89Å; Y56-I70 HydrophobicContact CD2-CD1 4.2Å; Y56-I70 HydrophobicContact CE2-CD1 4.04Å; L68-I70 HydrophobicContact CD2-CD1 4.41Å; I70-I75 HydrophobicContact CG1-CG1 4.35Å; I70-I75 HydrophobicContact CG1-CG2 4.42Å; I70-W95 HydrophobicContact CG2-CH2 4.26Å; I70-W95 HydrophobicContact CG2-CZ2 4.11Å; I70-V177 HydrophobicContact CD1-CG1 4.02Å; I70-V177 WeakPolarHBondContact CD1-O 3.46Å; I70-A181 HydrophobicContact CD1-CB 4.03Å; I70-A181 HydrophobicContact CG2-CB 4.38Å; I70-Q184 HydrophobicContact CG2-CB 4.47Å; I70-Q184 HydrophobicContact CG2-CG 4.13Å
71G91.3Very high87.3Confident0 Ų058.2 Ų58.20%027%0.27CS..EExtended strand (participates in β ladder)trans-154.9-171.5177.100000113.3K73 G74 W95G71-K73 VanDerWaalsContact C-N 3.26Å; G71-K73 PolarHBondContact O-N 2.9Å; G71-G74 PolarHBondContact N-O 2.91Å; G71-G74 VanDerWaalsContact N-O 3.14Å; G71-G74 PolarHBondContact O-N 3.34Å; G71-W95 WeakPolarHBondContact O-CZ2 3.45Å; G71-W95 PolarHBondContact O-NE1 2.73Å
72Y88.4Confident85.7Confident78 Ų7863.8 Ų63.831%0.30629%0.286SS..THydrogen-bonded Turntrans-67.9-17.4-168.968.4-89.1000115.4Y53Y53-Y72 HydrophobicContact CE2-CE1 4.38Å
73K88.5Confident83.9Confident111 Ų11165.1 Ų65.148%0.48329%0.288SS..THydrogen-bonded Turntrans-90.1-30.9176.7-62.4-177.8-178.8163.30113.5G71 Y76 P94 W95G71-K73 VanDerWaalsContact C-N 3.26Å; G71-K73 PolarHBondContact O-N 2.9Å; K73-Y76 HydrophobicContact CB-CE2 4.15Å; K73-Y76 VanDerWaalsContact CB-OH 3.29Å; K73-Y76 WeakPolarHBondContact CB-OH 3.44Å; K73-P94 WeakPolarHBondContact O-CA 3.46Å; K73-W95 PolarHBondContact O-N 3.46Å
74G91.7Very high82.4Confident0 Ų067.9 Ų67.90%030%0.297CS..EExtended strand (participates in β ladder)trans162.4-163.1-172.300000113G71 Y93G71-G74 PolarHBondContact N-O 2.91Å; G71-G74 VanDerWaalsContact N-O 3.14Å; G71-G74 PolarHBondContact O-N 3.34Å; G74-Y93 WeakPolarHBondContact CA-O 3.47Å
75I92.8Very high80.8Confident0 Ų070.7 Ų70.70%031%0.312CS..EExtended strand (participates in β ladder)trans-105.7134.2173.6-54.7-177.4000108.6L68 S69 I70 Y93 W95 I98 L101 F108 I110 A181L68-I75 HydrophobicContact CD1-CG2 3.39Å; L68-I75 HydrophobicContact CG-CG2 4.05Å; S69-I75 CarbonylContact O-C 3.57Å; S69-I75 WeakPolarHBondContact O-CA 3.27Å; I70-I75 HydrophobicContact CG1-CG1 4.35Å; I70-I75 HydrophobicContact CG1-CG2 4.42Å; I75-Y93 PolarHBondContact N-O 3.09Å; I75-Y93 PolarHBondContact O-N 3.46Å; I75-W95 HydrophobicContact CD1-CH2 3.75Å; I75-W95 HydrophobicContact CD1-CZ3 3.81Å; I75-W95 HydrophobicContact CG1-CH2 3.38Å; I75-W95 HydrophobicContact CG1-CZ2 4.1Å; I75-W95 HydrophobicContact CG1-CZ3 3.72Å; I75-I98 HydrophobicContact CB-CD1 4.38Å; I75-I98 HydrophobicContact CD1-CD1 3.92Å; I75-I98 HydrophobicContact CG1-CD1 3.94Å; I75-L101 HydrophobicContact CD1-CD2 4.06Å; I75-F108 HydrophobicContact CD1-CZ 4.17Å; I75-I110 HydrophobicContact CB-CD1 4.38Å; I75-I110 HydrophobicContact CD1-CD1 3.88Å; I75-I110 HydrophobicContact CD1-CG1 4.29Å; I75-I110 HydrophobicContact CG2-CD1 3.94Å; I75-A181 HydrophobicContact CD1-CB 4.18Å
76Y91Very high79.6Confident39 Ų3969.1 Ų69.115%0.15331%0.308CS..EExtended strand (participates in β ladder)trans-128.7142.6-177.5-62.9-98.5000109.9Y53 S69 K73 P89 L91 A92Y53-Y76 HydrophobicContact CD1-CD2 4.46Å; Y53-Y76 AromaticContact CE1-CD2 3.64Å; Y53-Y76 HydrophobicContact CE1-CD2 3.64Å; Y53-Y76 AromaticContact CE1-CE2 3.64Å; Y53-Y76 HydrophobicContact CE1-CE2 3.64Å; Y53-Y76 AromaticContact CZ-CE2 3.99Å; Y53-Y76 WeakPolarHBondContact OH-CE2 3.31Å; S69-Y76 PolarHBondContact N-O 3.04Å; S69-Y76 PolarHBondContact O-N 3.17Å; K73-Y76 HydrophobicContact CB-CE2 4.15Å; K73-Y76 VanDerWaalsContact CB-OH 3.29Å; K73-Y76 WeakPolarHBondContact CB-OH 3.44Å; Y76-P89 HydrophobicContact CD1-CB 4.18Å; Y76-P89 HydrophobicContact CD1-CG 3.89Å; Y76-L91 WeakPolarHBondContact CA-O 3.45Å; Y76-A92 HydrophobicContact CD1-CB 3.54Å; Y76-A92 HydrophobicContact CE1-CB 3.6Å
77I90Very high78.2Confident9 Ų973.3 Ų73.35%0.04633%0.33CS..EExtended strand (participates in β ladder)trans-122.2123-175.2-56.6162.6000109.5C66 I67 L68 Y90 L91 Y93 F166C66-I77 HydrophobicContact CB-CG2 3.87Å; I67-I77 WeakPolarHBondContact O-CA 3.48Å; L68-I77 HydrophobicContact CD1-CG1 3.85Å; I77-Y90 PolarHBondContact O-N 2.9Å; I77-L91 HydrophobicContact CB-CB 4.22Å; I77-L91 HydrophobicContact CD1-CB 4.18Å; I77-L91 HydrophobicContact CD1-CD1 4.15Å; I77-L91 PolarHBondContact N-O 3.43Å; I77-L91 PolarHBondContact O-N 3.44Å; I77-Y93 HydrophobicContact CD1-CD2 4.18Å; I77-Y93 HydrophobicContact CD1-CE2 3.58Å; I77-F166 HydrophobicContact CD1-CE1 3.77Å; I77-F166 HydrophobicContact CD1-CE2 4.38Å; I77-F166 HydrophobicContact CD1-CZ 3.4Å; I77-F166 HydrophobicContact CG1-CZ 4.42Å
78Y87.1Confident77.2Confident18 Ų1877 Ų777%0.07135%0.354CS..EExtended strand (participates in β ladder)trans-107.9137.2178.9-59.9-105.3000109.5C66 I67 L86 I87 T88 P89C66-Y78 WeakPolarHBondContact CA-O 3.22Å; I67-Y78 PolarHBondContact N-O 2.73Å; I67-Y78 PolarHBondContact O-N 3.29Å; Y78-L86 WeakPolarHBondContact CE1-O 3.26Å; Y78-I87 WeakPolarHBondContact CE1-O 3.48Å; Y78-T88 WeakPolarHBondContact CD1-O 3.18Å; Y78-P89 HydrophobicContact CD1-CB 4.22Å; Y78-P89 HydrophobicContact CD2-CB 4.36Å; Y78-P89 HydrophobicContact CE1-CB 3.91Å; Y78-P89 HydrophobicContact CE1-CG 4.39Å; Y78-P89 HydrophobicContact CE2-CB 4.01Å; Y78-P89 HydrophobicContact CG-CB 4.44Å
79R82.8Confident76.5Confident183 Ų18378.2 Ų78.269%0.69136%0.361SS*.EExtended strand (participates in β ladder)trans-78131.6175.7-161.3174.9-159.7165.57.7109.2S81R79-S81 PolarHBondContact O-N 3.48Å
80R73.1Confident75.9Confident130 Ų13083 Ų8349%0.49138%0.38SS..  trans-77.370.7177.4-165.5-177.5-173.8147.97.6111.3E57 K65E57-R80 IonicContact OE1-NH1 3.7Å; E57-R80 PolarHBondContact OE1-NH1 3.01Å; E57-R80 IonicContact OE2-CZ 2.67Å; E57-R80 IonicContact OE2-NH1 3.98Å; E57-R80 PolarHBondContact OE2-NH1 3Å; K65-R80 HydrophobicContact CB-CB 4.15Å; K65-R80 VanDerWaalsContact O-CB 3.27Å; K65-R80 WeakPolarHBondContact O-CB 3.4Å; K65-R80 PolarHBondContact O-N 2.96Å
81S63.1Low75.5Confident74 Ų7484 Ų8452%0.51739%0.385SS..  trans-66160172-170.90000111.4R79 H83R79-S81 PolarHBondContact O-N 3.48Å; S81-H83 PolarHBondContact O-N 3.31Å; S81-H83 PolarHBondContact OG-N 3.49Å
82R52.8Low75.3Confident240 Ų24085.3 Ų85.391%0.90640%0.396SS*.SBendtrans-69-21.8170.7-68-174.5-179.1178.51.2112.5
83H48.1Very low75.4Confident150 Ų15082.5 Ų82.569%0.69439%0.385SS*.SBendtrans-91.4125.5176.8-56.7-79.2000109.9S81 N85S81-H83 PolarHBondContact O-N 3.31Å; S81-H83 PolarHBondContact OG-N 3.49Å; H83-N85 PolarHBondContact O-N 3.24Å
84Q53.5Low75.5Confident174 Ų17477.7 Ų77.781%0.81337%0.365SS*.  trans-76.615.6-159.9-67.4167.5-45.100115.9L86Q84-L86 VanDerWaalsContact O-CD1 3.24Å; Q84-L86 WeakPolarHBondContact O-CD1 3.47Å; Q84-L86 PolarHBondContact O-N 2.96Å
85N55.3Low75.5Confident130 Ų13077.8 Ų77.870%0.69537%0.365SS*.  trans-8576.4-174.8-65.4-13.8000111.3H83 I87H83-N85 PolarHBondContact O-N 3.24Å; N85-I87 HydrophobicContact CB-CD1 4.41Å; N85-I87 PolarHBondContact O-N 3.35Å
86L62.7Low75.2Confident80 Ų8084.7 Ų84.742%0.41939%0.391SS..THydrogen-bonded Turntrans-71.234.6174.4-75.267.4000112.8M55 I67 Y78 Q84M55-L86 HydrophobicContact SD-CD2 4.33Å; I67-L86 HydrophobicContact CD1-CD2 3.56Å; I67-L86 HydrophobicContact CD1-CG 4.24Å; Y78-L86 WeakPolarHBondContact CE1-O 3.26Å; Q84-L86 VanDerWaalsContact O-CD1 3.24Å; Q84-L86 WeakPolarHBondContact O-CD1 3.47Å; Q84-L86 PolarHBondContact O-N 2.96Å
87I62.3Low75.1Confident97 Ų9784 Ų8450%0.49739%0.391SS..THydrogen-bonded Turntrans-87.9-54.6-171.3-61.4175.6000109.6E49 Y78 N85E49-I87 WeakPolarHBondContact OE2-CG2 3.38Å; Y78-I87 WeakPolarHBondContact CE1-O 3.48Å; N85-I87 HydrophobicContact CB-CD1 4.41Å; N85-I87 PolarHBondContact O-N 3.35Å
88T69.4Low75.1Confident103 Ų10384 Ų8463%0.63239%0.391SS*.SBendtrans-93119.8-177.6-40.90000111.2Y78Y78-T88 WeakPolarHBondContact CD1-O 3.18Å
89P77.6Confident75.2Confident24 Ų2486 Ų8616%0.15640%0.403CS..  trans-70.3150.7168.129.9-33.1000110.4Y76 Y78 I131Y76-P89 HydrophobicContact CD1-CB 4.18Å; Y76-P89 HydrophobicContact CD1-CG 3.89Å; Y78-P89 HydrophobicContact CD1-CB 4.22Å; Y78-P89 HydrophobicContact CD2-CB 4.36Å; Y78-P89 HydrophobicContact CE1-CB 3.91Å; Y78-P89 HydrophobicContact CE1-CG 4.39Å; Y78-P89 HydrophobicContact CE2-CB 4.01Å; Y78-P89 HydrophobicContact CG-CB 4.44Å; P89-I131 WeakPolarHBondContact O-CD1 3.34Å
90Y78Confident75.6Confident100 Ų10080.6 Ų80.639%0.39239%0.388SS..SBendtrans-88.7-35.4174.3168.9-122000111.9I77 N132I77-Y90 PolarHBondContact O-N 2.9Å; Y90-N132 HydrophobicContact CE2-CB 4.42Å; Y90-N132 WeakPolarHBondContact CE2-OD1 3.19Å
91L85.1Confident76.6Confident24 Ų2474.7 Ų74.713%0.12637%0.366CS..EExtended strand (participates in β ladder)trans-128143.8174.6-59.9166.9000109.7Y76 I77 L130Y76-L91 WeakPolarHBondContact CA-O 3.45Å; I77-L91 HydrophobicContact CB-CB 4.22Å; I77-L91 HydrophobicContact CD1-CB 4.18Å; I77-L91 HydrophobicContact CD1-CD1 4.15Å; I77-L91 PolarHBondContact N-O 3.43Å; I77-L91 PolarHBondContact O-N 3.44Å; L91-L130 HydrophobicContact CD2-CD2 3.66Å
92A87.5Confident78Confident27 Ų2776.2 Ų76.222%0.22336%0.361CS..EExtended strand (participates in β ladder)trans-134.4128.1178.500000110Y76Y76-A92 HydrophobicContact CD1-CB 3.54Å; Y76-A92 HydrophobicContact CE1-CB 3.6Å
93Y90.1Very high80Confident19 Ų1968.4 Ų68.48%0.07533%0.332CS..EExtended strand (participates in β ladder)trans-124.890.2-178.9-57.3-43.2000109.5G74 I75 I77 I98 I110 I112 F164G74-Y93 WeakPolarHBondContact CA-O 3.47Å; I75-Y93 PolarHBondContact N-O 3.09Å; I75-Y93 PolarHBondContact O-N 3.46Å; I77-Y93 HydrophobicContact CD1-CD2 4.18Å; I77-Y93 HydrophobicContact CD1-CE2 3.58Å; Y93-I98 WeakPolarHBondContact O-CD1 3.46Å; Y93-I110 HydrophobicContact CD2-CD1 3.91Å; Y93-I110 HydrophobicContact CE2-CD1 4.3Å; Y93-I112 HydrophobicContact CD1-CD1 3.23Å; Y93-I112 HydrophobicContact CD2-CD1 3.83Å; Y93-I112 HydrophobicContact CE1-CD1 3.46Å; Y93-I112 VanDerWaalsContact CE1-CD1 3.46Å; Y93-I112 HydrophobicContact CE2-CD1 4.02Å; Y93-I112 HydrophobicContact CG-CD1 3.42Å; Y93-I112 VanDerWaalsContact CG-CD1 3.42Å; Y93-F164 HydrophobicContact CE1-CE2 4.46Å; Y93-F164 HydrophobicContact CE2-CD2 4.45Å; Y93-F164 HydrophobicContact CE2-CG 4.48Å; Y93-F164 WeakPolarHBondContact OH-CD1 3.47Å; Y93-F164 WeakPolarHBondContact OH-CE1 3.49Å
94P90.8Very high82.1Confident10 Ų1070.2 Ų70.27%0.06533%0.333CS..EExtended strand (participates in β ladder)trans-60.4147.7176.5-25.736000112.7K73 R96 V97K73-P94 WeakPolarHBondContact O-CA 3.46Å; P94-R96 HydrophobicContact CB-CG 3.66Å; P94-R96 PolarHBondContact O-N 3.01Å; P94-V97 WeakPolarHBondContact O-CG2 3.31Å; P94-V97 PolarHBondContact O-N 2.99Å
95W92.3Very high84Confident3 Ų366.9 Ų66.91%0.01132%0.321CS..THydrogen-bonded Turntrans-57.6-13.5178.9-64.5126000115.1I70 G71 K73 I75 I98 L101 A181 Q184 H185 F188I70-W95 HydrophobicContact CG2-CH2 4.26Å; I70-W95 HydrophobicContact CG2-CZ2 4.11Å; G71-W95 WeakPolarHBondContact O-CZ2 3.45Å; G71-W95 PolarHBondContact O-NE1 2.73Å; K73-W95 PolarHBondContact O-N 3.46Å; I75-W95 HydrophobicContact CD1-CH2 3.75Å; I75-W95 HydrophobicContact CD1-CZ3 3.81Å; I75-W95 HydrophobicContact CG1-CH2 3.38Å; I75-W95 HydrophobicContact CG1-CZ2 4.1Å; I75-W95 HydrophobicContact CG1-CZ3 3.72Å; W95-I98 HydrophobicContact CE3-CD1 3.7Å; W95-I98 HydrophobicContact CZ3-CD1 3.74Å; W95-L101 HydrophobicContact CZ3-CD1 4.18Å; W95-A181 HydrophobicContact CH2-CB 4Å; W95-A181 WeakPolarHBondContact CH2-O 3.38Å; W95-Q184 HydrophobicContact CH2-CB 4.27Å; W95-Q184 HydrophobicContact CZ2-CB 3.43Å; W95-Q184 VanDerWaalsContact CZ2-CB 3.43Å; W95-Q184 HydrophobicContact CZ2-CG 4.44Å; W95-H185 HydrophobicContact CD2-CB 4.15Å; W95-H185 HydrophobicContact CE3-CB 3.65Å; W95-H185 AromaticContact CE3-CG 3.8Å; W95-H185 HydrophobicContact CZ3-CB 3.86Å; W95-F188 HydrophobicContact CB-CB 4.02Å; W95-F188 HydrophobicContact CB-CD1 3.43Å; W95-F188 VanDerWaalsContact CB-CD1 3.43Å; W95-F188 HydrophobicContact CB-CD2 3.88Å; W95-F188 HydrophobicContact CB-CE1 3.76Å; W95-F188 HydrophobicContact CB-CE2 4.2Å; W95-F188 HydrophobicContact CB-CG 3.49Å; W95-F188 VanDerWaalsContact CB-CG 3.49Å; W95-F188 HydrophobicContact CB-CZ 4.14Å; W95-F188 HydrophobicContact CG-CB 4.07Å; W95-F188 HydrophobicContact CG-CD1 4.36Å; W95-F188 HydrophobicContact CG-CD2 4.49Å; W95-F188 HydrophobicContact CG-CG 4.06Å; W95-F188 WeakPolarHBondContact O-CE1 3.43Å
96R87.2Confident85.8Confident144 Ų14465.3 Ų65.354%0.54331%0.308SS..THydrogen-bonded Turntrans-80.2-16176.348.1178.1145.5-178.4-6.7115.2P94 D127 F188P94-R96 HydrophobicContact CB-CG 3.66Å; P94-R96 PolarHBondContact O-N 3.01Å; R96-D127 IonicContact CZ-OD1 3.18Å; R96-D127 IonicContact CZ-OD2 2.66Å; R96-D127 IonicContact NE-OD1 2.64Å; R96-D127 IonicContact NE-OD2 3.11Å; R96-D127 VanDerWaalsContact NH1-CG 3.28Å; R96-D127 IonicContact NH1-OD1 3.95Å; R96-D127 IonicContact NH1-OD2 2.89Å; R96-D127 PolarHBondContact NH1-OD2 2.92Å; R96-D127 IonicContact NH2-OD1 2.65Å; R96-D127 PolarHBondContact NH2-OD1 3.08Å; R96-D127 IonicContact NH2-OD2 2.94Å; R96-D127 PolarHBondContact NH2-OD2 3.41Å; R96-F188 HydrophobicContact CB-CZ 4.01Å
97V88.1Confident87.3Confident26 Ų2667.7 Ų67.716%0.15832%0.315CS..THydrogen-bonded Turntrans-112.1-16.5178.6-570000113.8P94 D99 I112 R113 V128P94-V97 WeakPolarHBondContact O-CG2 3.31Å; P94-V97 PolarHBondContact O-N 2.99Å; V97-D99 PolarHBondContact O-N 2.92Å; V97-I112 HydrophobicContact CB-CG2 4.27Å; V97-I112 HydrophobicContact CG2-CG2 4.17Å; V97-R113 PolarHBondContact O-N 3.29Å; V97-V128 HydrophobicContact CG1-CG2 3.97Å
98I90.8Very high88.9Confident8 Ų863 Ų634%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-72.9123172.6-63.1171.3000108.4I75 Y93 W95 L101 I110 E111I75-I98 HydrophobicContact CB-CD1 4.38Å; I75-I98 HydrophobicContact CD1-CD1 3.92Å; I75-I98 HydrophobicContact CG1-CD1 3.94Å; Y93-I98 WeakPolarHBondContact O-CD1 3.46Å; W95-I98 HydrophobicContact CE3-CD1 3.7Å; W95-I98 HydrophobicContact CZ3-CD1 3.74Å; I98-L101 HydrophobicContact CG2-CD2 3.78Å; I98-L101 HydrophobicContact CG2-CG 4Å; I98-I110 HydrophobicContact CD1-CG2 4.14Å; I98-I110 HydrophobicContact CG1-CG2 3.87Å; I98-I110 HydrophobicContact CG2-CG2 4.07Å; I98-E111 WeakPolarHBondContact CA-O 3.45Å
99D88.2Confident90.1Very high61 Ų6158.9 Ų58.933%0.32627%0.266SS..EExtended strand (participates in β ladder)trans-92.9-48.3-179.6-142.8-8.3000110.2V97 E111 R113V97-D99 PolarHBondContact O-N 2.92Å; D99-E111 HydrophobicContact CB-CG 4.4Å; D99-E111 PolarHBondContact N-O 2.95Å; D99-R113 HydrophobicContact CB-CB 4.47Å; D99-R113 IonicContact OD1-CZ 2.92Å; D99-R113 IonicContact OD1-NE 2.72Å; D99-R113 IonicContact OD1-NH2 3.12Å; D99-R113 PolarHBondContact OD1-NH2 3.03Å; D99-R113 IonicContact OD2-CZ 2.68Å; D99-R113 IonicContact OD2-NE 3.49Å; D99-R113 PolarHBondContact OD2-NE 2.82Å; D99-R113 IonicContact OD2-NH2 2.64Å; D99-R113 PolarHBondContact OD2-NH2 3.17Å
100N91.4Very high90.8Very high68 Ų6857.8 Ų57.836%0.36426%0.259SS..EExtended strand (participates in β ladder)trans-145.3163.2-178.1-154.1-4.2000112.4Y102 E111N100-Y102 HydrophobicContact CB-CE2 4.17Å; N100-Y102 VanDerWaalsContact ND2-CE1 3.34Å; N100-Y102 WeakPolarHBondContact ND2-CE1 3.31Å; N100-Y102 PolarHBondContact ND2-OH 2.7Å; N100-E111 HydrophobicContact CB-CB 3.91Å; N100-E111 WeakPolarHBondContact CB-OE2 3.06Å; N100-E111 WeakPolarHBondContact O-CB 3.38Å; N100-E111 PolarHBondContact O-N 3.44Å
101L94.1Very high91.5Very high6 Ų654.3 Ų54.33%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-135.9105.8-178.6-67.5174.7000109.8I75 W95 I98 F108 I110 W178 A181 I182I75-L101 HydrophobicContact CD1-CD2 4.06Å; W95-L101 HydrophobicContact CZ3-CD1 4.18Å; I98-L101 HydrophobicContact CG2-CD2 3.78Å; I98-L101 HydrophobicContact CG2-CG 4Å; L101-F108 HydrophobicContact CB-CE2 4.46Å; L101-F108 HydrophobicContact CD2-CE2 4.25Å; L101-F108 HydrophobicContact CD2-CZ 3.92Å; L101-I110 HydrophobicContact CD2-CB 4.36Å; L101-I110 HydrophobicContact CD2-CG1 4.17Å; L101-I110 HydrophobicContact CD2-CG2 4.06Å; L101-W178 PolarHBondContact O-NE1 3.03Å; L101-A181 HydrophobicContact CD1-CB 3.68Å; L101-I182 HydrophobicContact CB-CD1 4.14Å; L101-I182 HydrophobicContact CD1-CD1 4.07Å; L101-I182 HydrophobicContact CD1-CG1 4.46Å
102Y93.4Very high91.7Very high106 Ų10653.8 Ų53.842%0.41624%0.243SC..EExtended strand (participates in β ladder)trans-92.8149.3179.7-57.3-74.8000111.8N100 F108 S109 E111 L163N100-Y102 HydrophobicContact CB-CE2 4.17Å; N100-Y102 VanDerWaalsContact ND2-CE1 3.34Å; N100-Y102 WeakPolarHBondContact ND2-CE1 3.31Å; N100-Y102 PolarHBondContact ND2-OH 2.7Å; Y102-F108 CarbonylContact O-C 3.6Å; Y102-F108 WeakPolarHBondContact O-CA 3.45Å; Y102-F108 WeakPolarHBondContact O-CD2 3.49Å; Y102-S109 PolarHBondContact N-O 2.95Å; Y102-S109 PolarHBondContact O-N 3.01Å; Y102-E111 HydrophobicContact CE2-CB 3.96Å; Y102-E111 HydrophobicContact CE2-CG 4.48Å; Y102-E111 WeakPolarHBondContact CE2-OE2 3.46Å; Y102-E111 PolarHBondContact OH-OE2 3.36Å; Y102-L163 HydrophobicContact CD2-CD1 3.86Å; Y102-L163 HydrophobicContact CE2-CD1 4.06Å
103Y93.4Very high91.3Very high77 Ų7758.6 Ų58.630%0.30226%0.256SS..EExtended strand (participates in β ladder)trans-143.4133.1171.9161.5-113.5000109.9D105 K107 P171 C174 R175 W178Y103-D105 WeakPolarHBondContact CE2-O 3.47Å; Y103-D105 PolarHBondContact OH-O 3.02Å; Y103-K107 WeakPolarHBondContact CA-O 3.44Å; Y103-P171 PolarHBondContact OH-O 2.82Å; Y103-C174 HydrophobicContact CD2-CB 4.07Å; Y103-C174 VanDerWaalsContact CD2-SG 3.5Å; Y103-C174 HydrophobicContact CE2-CB 3.56Å; Y103-C174 VanDerWaalsContact CE2-SG 3.54Å; Y103-R175 HydrophobicContact CE1-CB 4.11Å; Y103-R175 HydrophobicContact CE1-CG 4.35Å; Y103-W178 VanDerWaalsContact CB-CD1 3.45Å; Y103-W178 HydrophobicContact CG-CB 4.15Å; Y103-W178 HydrophobicContact CG-CG 4.22Å
104R92.8Very high90.3Very high188 Ų18861 Ų6171%0.70927%0.268SS*.EExtended strand (participates in β ladder)trans-152.7124170.7177.6168.2179.9168.64.4110.7K106 K107R104-K106 PolarHBondContact O-N 3.39Å; R104-K107 PolarHBondContact N-O 2.97Å; R104-K107 PolarHBondContact O-N 3.38Å
105D93.4Very high88.7Confident103 Ų10364.3 Ų64.355%0.55129%0.289SS*.THydrogen-bonded Turntrans56.1-92.6174.5-52.2-46.4000113.9Y103 P171Y103-D105 WeakPolarHBondContact CE2-O 3.47Å; Y103-D105 PolarHBondContact OH-O 3.02Å; D105-P171 WeakPolarHBondContact O-CA 3.27Å; D105-P171 WeakPolarHBondContact O-CB 3.49Å
106K94.3Very high86.7Confident98 Ų9871.8 Ų71.843%0.42632%0.322SS..THydrogen-bonded Turntrans-114.4-0.9173-66.9-166.4-176.4-163.50113.9R104 T167 C168 Q169 P171 C174R104-K106 PolarHBondContact O-N 3.39Å; K106-T167 HydrophobicContact CB-CG2 4.3Å; K106-T167 CarbonylContact O-C 3.58Å; K106-T167 WeakPolarHBondContact O-CA 3.3Å; K106-C168 PolarHBondContact O-N 3.48Å; K106-Q169 WeakPolarHBondContact CE-O 3.45Å; K106-Q169 PolarHBondContact NZ-O 3.09Å; K106-P171 HydrophobicContact CG-CG 4.02Å; K106-C174 PolarHBondContact O-SG 2.91Å; K106-C174 VanDerWaalsContact O-SG 3.36Å
107K93.6Very high84.8Confident129 Ų12974.9 Ų74.956%0.56134%0.339SS*.EExtended strand (participates in β ladder)trans-102.2130.1-177.3-64.3-170.5176.3-170.70110.8Y103 R104 F166Y103-K107 WeakPolarHBondContact CA-O 3.44Å; R104-K107 PolarHBondContact N-O 2.97Å; R104-K107 PolarHBondContact O-N 3.38Å; K107-F166 WeakPolarHBondContact CA-O 3.45Å
108F95.4Very high82.4Confident0 Ų079.1 Ų79.10%036%0.361CS..EExtended strand (participates in β ladder)trans-120.9126.1171.8165.1-100.9000107.6L68 I75 L101 Y102 I110 F166 V177 W178 A181L68-F108 HydrophobicContact CD2-CD1 3.97Å; L68-F108 HydrophobicContact CD2-CE1 3.76Å; I75-F108 HydrophobicContact CD1-CZ 4.17Å; L101-F108 HydrophobicContact CB-CE2 4.46Å; L101-F108 HydrophobicContact CD2-CE2 4.25Å; L101-F108 HydrophobicContact CD2-CZ 3.92Å; Y102-F108 CarbonylContact O-C 3.6Å; Y102-F108 WeakPolarHBondContact O-CA 3.45Å; Y102-F108 WeakPolarHBondContact O-CD2 3.49Å; F108-I110 HydrophobicContact CD1-CG1 4.48Å; F108-I110 HydrophobicContact CE1-CD1 4.1Å; F108-I110 HydrophobicContact CE1-CG1 3.66Å; F108-I110 HydrophobicContact CZ-CG1 4.05Å; F108-F166 HydrophobicContact CD1-CD2 4.14Å; F108-F166 PolarHBondContact N-O 2.95Å; F108-F166 PolarHBondContact O-N 3.39Å; F108-V177 HydrophobicContact CB-CG1 4.43Å; F108-V177 HydrophobicContact CD1-CG1 3.78Å; F108-V177 HydrophobicContact CD2-CG1 3.99Å; F108-V177 HydrophobicContact CE1-CG1 3.93Å; F108-V177 HydrophobicContact CE2-CG1 4.13Å; F108-V177 HydrophobicContact CG-CG1 3.8Å; F108-V177 HydrophobicContact CZ-CG1 4.09Å; F108-W178 HydrophobicContact CD2-CB 4.01Å; F108-W178 HydrophobicContact CD2-CG 4.47Å; F108-W178 HydrophobicContact CE2-CB 4.22Å; F108-W178 AromaticContact CE2-CD1 3.99Å; F108-A181 HydrophobicContact CE2-CB 4.39Å; F108-A181 HydrophobicContact CZ-CB 4.21Å
109S93.8Very high79.9Confident16 Ų1687.6 Ų87.611%0.11240%0.4CS..EExtended strand (participates in β ladder)trans-125.9130.8-175.5-47.20000111.9Y102 F164 P165Y102-S109 PolarHBondContact N-O 2.95Å; Y102-S109 PolarHBondContact O-N 3.01Å; S109-F164 WeakPolarHBondContact CA-O 3.46Å; S109-P165 WeakPolarHBondContact OG-CB 3.38Å
110I93.7Very high77.6Confident0 Ų089.5 Ų89.50%042%0.419CS..EExtended strand (participates in β ladder)trans-94.3123.5176.6-50.6174.3000108.2I75 Y93 I98 L101 F108 I112 L163 F164 F166I75-I110 HydrophobicContact CB-CD1 4.38Å; I75-I110 HydrophobicContact CD1-CD1 3.88Å; I75-I110 HydrophobicContact CD1-CG1 4.29Å; I75-I110 HydrophobicContact CG2-CD1 3.94Å; Y93-I110 HydrophobicContact CD2-CD1 3.91Å; Y93-I110 HydrophobicContact CE2-CD1 4.3Å; I98-I110 HydrophobicContact CD1-CG2 4.14Å; I98-I110 HydrophobicContact CG1-CG2 3.87Å; I98-I110 HydrophobicContact CG2-CG2 4.07Å; L101-I110 HydrophobicContact CD2-CB 4.36Å; L101-I110 HydrophobicContact CD2-CG1 4.17Å; L101-I110 HydrophobicContact CD2-CG2 4.06Å; F108-I110 HydrophobicContact CD1-CG1 4.48Å; F108-I110 HydrophobicContact CE1-CD1 4.1Å; F108-I110 HydrophobicContact CE1-CG1 3.66Å; F108-I110 HydrophobicContact CZ-CG1 4.05Å; I110-I112 HydrophobicContact CG2-CD1 4.1Å; I110-I112 HydrophobicContact CG2-CG1 3.81Å; I110-L163 WeakPolarHBondContact O-CA 3.44Å; I110-F164 PolarHBondContact N-O 2.93Å; I110-F164 PolarHBondContact O-N 2.79Å; I110-F166 HydrophobicContact CD1-CD2 4.43Å; I110-F166 HydrophobicContact CD1-CE2 3.74Å; I110-F166 HydrophobicContact CG1-CD2 4.47Å; I110-F166 HydrophobicContact CG1-CE2 4.05Å
111E92.1Very high74.7Confident27 Ų2789.8 Ų89.813%0.12643%0.426CS..EExtended strand (participates in β ladder)trans-94.4125.9170.8-168.1-177.415000109.7I98 D99 N100 Y102 V161 L163I98-E111 WeakPolarHBondContact CA-O 3.45Å; D99-E111 HydrophobicContact CB-CG 4.4Å; D99-E111 PolarHBondContact N-O 2.95Å; N100-E111 HydrophobicContact CB-CB 3.91Å; N100-E111 WeakPolarHBondContact CB-OE2 3.06Å; N100-E111 WeakPolarHBondContact O-CB 3.38Å; N100-E111 PolarHBondContact O-N 3.44Å; Y102-E111 HydrophobicContact CE2-CB 3.96Å; Y102-E111 HydrophobicContact CE2-CG 4.48Å; Y102-E111 WeakPolarHBondContact CE2-OE2 3.46Å; Y102-E111 PolarHBondContact OH-OE2 3.36Å; E111-V161 HydrophobicContact CG-CG1 3.36Å; E111-V161 VanDerWaalsContact OE1-CG1 3.29Å; E111-V161 WeakPolarHBondContact OE1-CG1 3.31Å; E111-L163 HydrophobicContact CB-CD1 4.32Å
112I89.1Confident72Confident13 Ų1398.2 Ų98.27%0.06747%0.465CS..EExtended strand (participates in β ladder)trans-125.1126.9-178.2-57.1-172.2000108.8Y93 V97 I110 L162 F164Y93-I112 HydrophobicContact CD1-CD1 3.23Å; Y93-I112 HydrophobicContact CD2-CD1 3.83Å; Y93-I112 HydrophobicContact CE1-CD1 3.46Å; Y93-I112 VanDerWaalsContact CE1-CD1 3.46Å; Y93-I112 HydrophobicContact CE2-CD1 4.02Å; Y93-I112 HydrophobicContact CG-CD1 3.42Å; Y93-I112 VanDerWaalsContact CG-CD1 3.42Å; V97-I112 HydrophobicContact CB-CG2 4.27Å; V97-I112 HydrophobicContact CG2-CG2 4.17Å; I110-I112 HydrophobicContact CG2-CD1 4.1Å; I110-I112 HydrophobicContact CG2-CG1 3.81Å; I112-L162 PolarHBondContact N-O 3.03Å; I112-L162 PolarHBondContact O-N 3.36Å; I112-F164 HydrophobicContact CB-CE2 4.3Å; I112-F164 HydrophobicContact CD1-CD2 3.81Å; I112-F164 HydrophobicContact CD1-CE2 3.8Å; I112-F164 HydrophobicContact CG1-CD2 4.13Å; I112-F164 HydrophobicContact CG1-CE2 4.21Å
113R78.8Confident69.3Low128 Ų128101 Ų10148%0.48349%0.487SS..EExtended strand (participates in β ladder)trans-85.6121174.9-170.2-176.5-62.6-172.64.2108.9V97 D99 P159V97-R113 PolarHBondContact O-N 3.29Å; D99-R113 HydrophobicContact CB-CB 4.47Å; D99-R113 IonicContact OD1-CZ 2.92Å; D99-R113 IonicContact OD1-NE 2.72Å; D99-R113 IonicContact OD1-NH2 3.12Å; D99-R113 PolarHBondContact OD1-NH2 3.03Å; D99-R113 IonicContact OD2-CZ 2.68Å; D99-R113 IonicContact OD2-NE 3.49Å; D99-R113 PolarHBondContact OD2-NE 2.82Å; D99-R113 IonicContact OD2-NH2 2.64Å; D99-R113 PolarHBondContact OD2-NH2 3.17Å; R113-P159 HydrophobicContact CG-CB 4.04Å; R113-P159 HydrophobicContact CG-CG 4.47Å
114E69.8Low66.5Low70 Ų70102.8 Ų102.833%0.32751%0.505SS..PPolyproline II helixtrans-57.4128.3173.1-84.5-174.2-161.200110.1K116 R160 L162E114-K116 PolarHBondContact O-N 3.33Å; E114-R160 HydrophobicContact CB-CB 4.31Å; E114-R160 HydrophobicContact CG-CB 4.04Å; E114-R160 PolarHBondContact N-O 3.07Å; E114-R160 WeakPolarHBondContact OE1-CD 3.35Å; E114-R160 WeakPolarHBondContact OE2-CD 3.42Å; E114-L162 HydrophobicContact CG-CD1 3.95Å; E114-L162 HydrophobicContact CG-CG 4.19Å
115P56.2Low63.7Low80 Ų8098.5 Ų98.552%0.51951%0.505SS..PPolyproline II helixtrans-66131.9171.628.2-33.2000109K117 V128P115-K117 PolarHBondContact O-N 2.76Å; P115-K117 VanDerWaalsContact O-N 3.09Å; P115-V128 HydrophobicContact CG-CG2 4.43Å
116K50.6Low61.3Low160 Ų16099.8 Ų99.870%0.69651%0.511SS*.PPolyproline II helixtrans-60.2117.2173.9-68.7-173.5176.5-173.30109.1E114 N118E114-K116 PolarHBondContact O-N 3.33Å; K116-N118 VanDerWaalsContact C-N 3.32Å; K116-N118 PolarHBondContact O-N 3.23Å
117K48Very low58.8Low209 Ų20998.2 Ų98.291%0.90951%0.508SS*.  trans-66.890.2170.4-71.5-169.5176.2-171.60109.5P115P115-K117 PolarHBondContact O-N 2.76Å; P115-K117 VanDerWaalsContact O-N 3.09Å
118N38.2Very low56.5Low115 Ų11596.3 Ų96.362%0.61551%0.506SS*.  trans-83.8119166.7-70.5-0.9000108.1K116 S120K116-N118 VanDerWaalsContact C-N 3.32Å; K116-N118 PolarHBondContact O-N 3.23Å; N118-S120 PolarHBondContact O-N 2.97Å
119E37.7Very low54.1Low186 Ų186100.5 Ų100.587%0.86953%0.528SS*.SBendtrans-72.833.1178.8-57178.8142.100113
120S38.9Very low51.8Low101 Ų101104.2 Ų104.271%0.70655%0.546SS*.  trans-154.948.6-167.470.60000114N118N118-S120 PolarHBondContact O-N 2.97Å
121S31Very low49.6Very low73 Ų73107.3 Ų107.351%0.5156%0.562SS.*  trans-160.781.9158.962.60000111.4
122E38.9Very low46.9Very low183 Ų183111 Ų11186%0.85558%0.583SS**SBendtrans-58.6147.3148.7-64.7-179.514600107.9
123N35Very low44.8Very low166 Ų166113.8 Ų113.889%0.88860%0.598SS**  trans77.137.3-166.9-46.6-74.6000116.5
124V35.1Very low43.1Very low113 Ų113117.2 Ų117.269%0.68561%0.611SS**  trans-120.1110151-177.60000108.5
125S34.4Very low41.8Very low99 Ų99121.5 Ų121.569%0.69263%0.631SS**  trans-67.8131.9-176.6-50.80000113D127S125-D127 PolarHBondContact O-N 3.11Å
126D43.6Very low41.1Very low129 Ų129122.5 Ų122.569%0.6963%0.631SS**  trans22.985138.8-72.9-9.7000117.6I129D126-I129 HydrophobicContact CB-CD1 3.87Å; D126-I129 HydrophobicContact CB-CG1 4.41Å
127D41.2Very low41.1Very low66 Ų66118.3 Ų118.335%0.35362%0.622SS.*  trans-148.38.3174.8-104.5-62000116.7R96 S125R96-D127 IonicContact CZ-OD1 3.18Å; R96-D127 IonicContact CZ-OD2 2.66Å; R96-D127 IonicContact NE-OD1 2.64Å; R96-D127 IonicContact NE-OD2 3.11Å; R96-D127 VanDerWaalsContact NH1-CG 3.28Å; R96-D127 IonicContact NH1-OD1 3.95Å; R96-D127 IonicContact NH1-OD2 2.89Å; R96-D127 PolarHBondContact NH1-OD2 2.92Å; R96-D127 IonicContact NH2-OD1 2.65Å; R96-D127 PolarHBondContact NH2-OD1 3.08Å; R96-D127 IonicContact NH2-OD2 2.94Å; R96-D127 PolarHBondContact NH2-OD2 3.41Å; S125-D127 PolarHBondContact O-N 3.11Å
128V45.6Very low41Very low88 Ų88114 Ų11453%0.53361%0.605SS.*SBendtrans-13767.1159.9-171.10000108.5V97 P115V97-V128 HydrophobicContact CG1-CG2 3.97Å; P115-V128 HydrophobicContact CG-CG2 4.43Å
129I45.6Very low41.3Very low89 Ų89111 Ų11146%0.45660%0.596SS.*  trans-85.7115.9175.4-60.1-179.5000109D126 I131D126-I129 HydrophobicContact CB-CD1 3.87Å; D126-I129 HydrophobicContact CB-CG1 4.41Å; I129-I131 HydrophobicContact CG2-CG1 4.03Å; I129-I131 PolarHBondContact O-N 3.31Å
130L43.6Very low41.5Very low93 Ų93109.1 Ų109.149%0.48759%0.585SS.*  trans-73.9108.6154.1-71.4173.6000107.2L91 N132 D133L91-L130 HydrophobicContact CD2-CD2 3.66Å; L130-N132 PolarHBondContact O-N 3.26Å; L130-D133 PolarHBondContact O-N 2.92Å
131I47.8Very low41.8Very low66 Ų66108.6 Ų108.634%0.33858%0.582SS.*THydrogen-bonded Turntrans-64.8-14.5-162.9-68.5169.2000113.4P89 I129P89-I131 WeakPolarHBondContact O-CD1 3.34Å; I129-I131 HydrophobicContact CG2-CG1 4.03Å; I129-I131 PolarHBondContact O-N 3.31Å
132N36Very low42.4Very low104 Ų104110.7 Ų110.756%0.55658%0.583SS**THydrogen-bonded Turntrans-87.1-19.9175.5-77.220.1000115.2Y90 L130 R134Y90-N132 HydrophobicContact CE2-CB 4.42Å; Y90-N132 WeakPolarHBondContact CE2-OD1 3.19Å; L130-N132 PolarHBondContact O-N 3.26Å; N132-R134 PolarHBondContact O-N 3.34Å; N132-R134 VanDerWaalsContact O-N 3.08Å
133D44.4Very low42.9Very low72 Ų72107.9 Ų107.939%0.38558%0.581SS.*THydrogen-bonded Turntrans-77.44.9-172.1-74.3-20.3000113.8L130 Q135 L136 S137L130-D133 PolarHBondContact O-N 2.92Å; D133-Q135 VanDerWaalsContact C-N 3.33Å; D133-Q135 PolarHBondContact O-N 3.05Å; D133-L136 PolarHBondContact O-N 3.42Å; D133-S137 WeakPolarHBondContact O-CB 3.46Å; D133-S137 PolarHBondContact O-N 2.96Å; D133-S137 PolarHBondContact O-OG 2.91Å
134R43.1Very low43.6Very low200 Ų200105.6 Ų105.676%0.75557%0.573SS**Hα-helixtrans-60.9-39.7-178.1-151.6174.2-165.3170.15.3112.5N132 S137 E138N132-R134 PolarHBondContact O-N 3.34Å; N132-R134 VanDerWaalsContact O-N 3.08Å; R134-S137 WeakPolarHBondContact O-CB 3.36Å; R134-S137 PolarHBondContact O-N 3.43Å; R134-E138 PolarHBondContact O-N 3.06Å
135Q43.2Very low44.3Very low160 Ų160103.1 Ų103.175%0.74856%0.558SS**Hα-helixtrans-70.5-31.7177.3-65.7-175.6-52.100113.1D133 A139D133-Q135 VanDerWaalsContact C-N 3.33Å; D133-Q135 PolarHBondContact O-N 3.05Å; Q135-A139 PolarHBondContact O-N 2.96Å
136L42.2Very low44.5Very low101 Ų101107.5 Ų107.553%0.52957%0.568SS.*Hα-helixtrans-72.9-36.4171.7-73.6170.8000111.1D133 A139 F140D133-L136 PolarHBondContact O-N 3.42Å; L136-A139 PolarHBondContact O-N 3.12Å; L136-F140 VanDerWaalsContact O-CD2 3.23Å; L136-F140 WeakPolarHBondContact O-CD2 3.48Å; L136-F140 PolarHBondContact O-N 3.43Å
137S48.8Very low44.1Very low71 Ų71105.8 Ų105.850%0.49756%0.562SS.*Hα-helixtrans-61.3-44.3176.9-540000111.4D133 R134 A139 F140 S141D133-S137 WeakPolarHBondContact O-CB 3.46Å; D133-S137 PolarHBondContact O-N 2.96Å; D133-S137 PolarHBondContact O-OG 2.91Å; R134-S137 WeakPolarHBondContact O-CB 3.36Å; R134-S137 PolarHBondContact O-N 3.43Å; S137-A139 PolarHBondContact O-N 3.48Å; S137-F140 PolarHBondContact O-N 3.47Å; S137-S141 PolarHBondContact O-N 3.4Å
138E47.9Very low43.9Very low120 Ų120108.7 Ų108.756%0.56159%0.587SS**Hα-helixtrans-60.3-43.6174.5-72.9172.8136.100111.7R134 F140 S141 H142R134-E138 PolarHBondContact O-N 3.06Å; E138-F140 PolarHBondContact O-N 3.37Å; E138-S141 WeakPolarHBondContact CA-OG 3.35Å; E138-S141 PolarHBondContact O-N 3.48Å; E138-S141 VanDerWaalsContact O-N 3.15Å; E138-S141 PolarHBondContact O-OG 2.94Å; E138-H142 PolarHBondContact O-N 3.47Å
139A43.3Very low43.4Very low52 Ų52110 Ų11043%0.4360%0.599SS.*Hα-helixtrans-63.9-34.6177.800000114.1Q135 L136 S137 T145Q135-A139 PolarHBondContact O-N 2.96Å; L136-A139 PolarHBondContact O-N 3.12Å; S137-A139 PolarHBondContact O-N 3.48Å; A139-T145 PolarHBondContact O-OG1 2.67Å
140F41.6Very low42.7Very low145 Ų145109.3 Ų109.364%0.63661%0.613SS**Hα-helixtrans-77.4-22.8173.6-78.5-66000113.6L136 S137 E138 H142L136-F140 VanDerWaalsContact O-CD2 3.23Å; L136-F140 WeakPolarHBondContact O-CD2 3.48Å; L136-F140 PolarHBondContact O-N 3.43Å; S137-F140 PolarHBondContact O-N 3.47Å; E138-F140 PolarHBondContact O-N 3.37Å; F140-H142 VanDerWaalsContact C-N 3.31Å
141S45.1Very low42.4Very low90 Ų90114.5 Ų114.563%0.62963%0.627SS**Hα-helixtrans-80.5-8.8175.370.70000114.2S137 E138S137-S141 PolarHBondContact O-N 3.4Å; E138-S141 WeakPolarHBondContact CA-OG 3.35Å; E138-S141 PolarHBondContact O-N 3.48Å; E138-S141 VanDerWaalsContact O-N 3.15Å; E138-S141 PolarHBondContact O-OG 2.94Å
142H43.1Very low41.7Very low117 Ų117123.1 Ų123.154%0.54266%0.655SS.*SBendtrans-70.9128.7-179.2-126.9-90.1000111.2E138 F140 T144 T145E138-H142 PolarHBondContact O-N 3.47Å; F140-H142 VanDerWaalsContact C-N 3.31Å; H142-T144 PolarHBondContact O-N 2.91Å; H142-T145 PolarHBondContact O-N 2.81Å; H142-T145 PolarHBondContact O-OG1 3.32Å
143P51.1Low41.7Very low125 Ų125128.5 Ų128.581%0.81267%0.668SS**THydrogen-bonded Turntrans-66.7-7-174.526.4-35.6000114.6
144T48.6Very low41.2Very low118 Ų118129.2 Ų129.272%0.72468%0.678SS**THydrogen-bonded Turntrans-85.7-17.4176.9-32.70000112.7H142 Q146H142-T144 PolarHBondContact O-N 2.91Å; T144-Q146 PolarHBondContact O-N 2.99Å
145T49.4Very low41.1Very low61 Ų61127.5 Ų127.537%0.37468%0.684SS.*  trans-86.166.3-166.9-45.60000112.6A139 H142 V147A139-T145 PolarHBondContact O-OG1 2.67Å; H142-T145 PolarHBondContact O-N 2.81Å; H142-T145 PolarHBondContact O-OG1 3.32Å; T145-V147 PolarHBondContact O-N 3.36Å; T145-V147 VanDerWaalsContact O-N 3.11Å
146Q40.2Very low41Very low191 Ų191127.2 Ų127.289%0.89369%0.687SS**  trans-72.5102.9177-70-142.422.500112.6T144T144-Q146 PolarHBondContact O-N 2.99Å
147V35.2Very low41.5Very low92 Ų92128.2 Ų128.256%0.55869%0.689SS**  trans-116.5114.3170.7-73.20000111.3T145 C149T145-V147 PolarHBondContact O-N 3.36Å; T145-V147 VanDerWaalsContact O-N 3.11Å; V147-C149 PolarHBondContact O-N 3.04Å; V147-C149 VanDerWaalsContact O-N 3.12Å
148S35Very low41.5Very low127 Ų127133 Ų13389%0.88870%0.704SS**  trans-82.186.7-174.743.30000112.6G150S148-G150 PolarHBondContact O-N 2.72Å
149C36.9Very low41.9Very low117 Ų117130 Ų13079%0.79170%0.695SS**  trans-66.999.7-178.6-61.10000113.5V147 R151V147-C149 PolarHBondContact O-N 3.04Å; V147-C149 VanDerWaalsContact O-N 3.12Å; C149-R151 PolarHBondContact O-N 3.48Å
150G29.6Very low43Very low73 Ų73134 Ų13475%0.75370%0.699SS**  trans-61.4114.6179.300000114.3S148 R152S148-G150 PolarHBondContact O-N 2.72Å; G150-R152 PolarHBondContact O-N 3.15Å
151R38.3Very low44.6Very low203 Ų203131.1 Ų131.177%0.76669%0.693SS**  trans-7968.5-166-156-179.7-155-179.710115.3C149 R153C149-R151 PolarHBondContact O-N 3.48Å; R151-R153 PolarHBondContact O-N 3.32Å
152R32.7Very low46.5Very low246 Ų246130 Ų13093%0.92868%0.68SS**  trans-83.496.8170.4-75.1-170.7175.5-174.80.1112.2G150 S154G150-R152 PolarHBondContact O-N 3.15Å; R152-S154 PolarHBondContact O-N 3.16Å
153R36.6Very low48.7Very low218 Ų218128.8 Ų128.882%0.82368%0.676SS**  trans-64.3110.6172.4-78.3180164.9178.3-4.7111.5R151R151-R153 PolarHBondContact O-N 3.32Å
154S32.6Very low50.5Low87 Ų87125.2 Ų125.261%0.60865%0.648SS**  trans-114.286.2163-174.50000109.4R152 N156R152-S154 PolarHBondContact O-N 3.16Å; S154-N156 PolarHBondContact O-N 3.06Å
155N40.6Very low52.6Low164 Ų164121.1 Ų121.188%0.87762%0.624SS**THydrogen-bonded Turntrans-83.131.8-165.7-156.742.3000113.9
156N41.5Very low54.8Low153 Ų153118.2 Ų118.282%0.81861%0.606SS**THydrogen-bonded Turntrans-148.223.8-170-143.617.3000114.6S154S154-N156 PolarHBondContact O-N 3.06Å
157Q52.3Low57.4Low122 Ų122111.4 Ų111.457%0.5758%0.577SS**PPolyproline II helixtrans-74.8124.8165.1-73.8-17650.900109.2
158Q48.9Very low60.2Low172 Ų172107 Ų10780%0.80455%0.551SS**PPolyproline II helixtrans-60151164-68.6-176.1-3.500109.2R160Q158-R160 PolarHBondContact O-N 3.36Å
159P57.3Low62.9Low57 Ų57107.8 Ų107.837%0.3754%0.54SS..PPolyproline II helixtrans-57.6128.8175.726.4-34.4000109R113 V161R113-P159 HydrophobicContact CG-CB 4.04Å; R113-P159 HydrophobicContact CG-CG 4.47Å; P159-V161 PolarHBondContact O-N 3.44Å
160R65.4Low65.6Low137 Ų137104.8 Ų104.852%0.51752%0.519SS..PPolyproline II helixtrans-68.7134.3179.9-61179.7179.8-169.2-0.8108.9E114 Q158E114-R160 HydrophobicContact CB-CB 4.31Å; E114-R160 HydrophobicContact CG-CB 4.04Å; E114-R160 PolarHBondContact N-O 3.07Å; E114-R160 WeakPolarHBondContact OE1-CD 3.35Å; E114-R160 WeakPolarHBondContact OE2-CD 3.42Å; Q158-R160 PolarHBondContact O-N 3.36Å
161V76.5Confident68.6Low83 Ų83104.3 Ų104.350%0.50350%0.502SS..EExtended strand (participates in β ladder)trans-99.4117.1175.5175.50000106.9E111 P159E111-V161 HydrophobicContact CG-CG1 3.36Å; E111-V161 VanDerWaalsContact OE1-CG1 3.29Å; E111-V161 WeakPolarHBondContact OE1-CG1 3.31Å; P159-V161 PolarHBondContact O-N 3.44Å
162L85.1Confident71.3Confident68 Ų68100.8 Ų100.836%0.35650%0.498SS..EExtended strand (participates in β ladder)trans-99.8130175.6-58.7178.6000108.5I112 E114 F164I112-L162 PolarHBondContact N-O 3.03Å; I112-L162 PolarHBondContact O-N 3.36Å; E114-L162 HydrophobicContact CG-CD1 3.95Å; E114-L162 HydrophobicContact CG-CG 4.19Å; L162-F164 HydrophobicContact CB-CD2 4.41Å; L162-F164 HydrophobicContact CB-CE2 3.59Å; L162-F164 HydrophobicContact CB-CZ 4Å; L162-F164 HydrophobicContact CD1-CE2 4.34Å; L162-F164 HydrophobicContact CD1-CZ 4.18Å
163L89Confident74.2Confident90 Ų9091.3 Ų91.347%0.47147%0.467SS..EExtended strand (participates in β ladder)trans-115.4119.3-179.9-173.170.8000108.8Y102 I110 E111 P165Y102-L163 HydrophobicContact CD2-CD1 3.86Å; Y102-L163 HydrophobicContact CE2-CD1 4.06Å; I110-L163 WeakPolarHBondContact O-CA 3.44Å; E111-L163 HydrophobicContact CB-CD1 4.32Å; L163-P165 WeakPolarHBondContact O-CD 3.39Å
164F89.8Confident77Confident50 Ų5081 Ų8122%0.21943%0.428CS..EExtended strand (participates in β ladder)trans-110.799.2-179.6-63.1-82.8000109.9Y93 S109 I110 I112 L162 F166Y93-F164 HydrophobicContact CE1-CE2 4.46Å; Y93-F164 HydrophobicContact CE2-CD2 4.45Å; Y93-F164 HydrophobicContact CE2-CG 4.48Å; Y93-F164 WeakPolarHBondContact OH-CD1 3.47Å; Y93-F164 WeakPolarHBondContact OH-CE1 3.49Å; S109-F164 WeakPolarHBondContact CA-O 3.46Å; I110-F164 PolarHBondContact N-O 2.93Å; I110-F164 PolarHBondContact O-N 2.79Å; I112-F164 HydrophobicContact CB-CE2 4.3Å; I112-F164 HydrophobicContact CD1-CD2 3.81Å; I112-F164 HydrophobicContact CD1-CE2 3.8Å; I112-F164 HydrophobicContact CG1-CD2 4.13Å; I112-F164 HydrophobicContact CG1-CE2 4.21Å; L162-F164 HydrophobicContact CB-CD2 4.41Å; L162-F164 HydrophobicContact CB-CE2 3.59Å; L162-F164 HydrophobicContact CB-CZ 4Å; L162-F164 HydrophobicContact CD1-CE2 4.34Å; L162-F164 HydrophobicContact CD1-CZ 4.18Å; F164-F166 HydrophobicContact CB-CE2 3.88Å; F164-F166 HydrophobicContact CB-CZ 4.12Å; F164-F166 WeakPolarHBondContact O-CD2 3.43Å; F164-F166 WeakPolarHBondContact O-CE2 2.76Å
165P92.6Very high79.9Confident32 Ų3284.5 Ų84.521%0.20843%0.428CS..EExtended strand (participates in β ladder)trans-89.7136.9-179.635.1-34.6000112.9E61 S109 L163E61-P165 HydrophobicContact CG-CG 3.54Å; E61-P165 VanDerWaalsContact OE1-CD 3.27Å; E61-P165 WeakPolarHBondContact OE1-CD 3.35Å; E61-P165 WeakPolarHBondContact OE1-CG 3.45Å; S109-P165 WeakPolarHBondContact OG-CB 3.38Å; L163-P165 WeakPolarHBondContact O-CD 3.39Å
166F93.9Very high82.5Confident1 Ų179.3 Ų79.30%0.00440%0.402CS..EExtended strand (participates in β ladder)trans-122.4137177.9-58.5-84.2000110A58 L59 I77 K107 F108 I110 F164A58-F166 HydrophobicContact CB-CB 4.29Å; L59-F166 CarbonylContact O-C 3.59Å; L59-F166 VanDerWaalsContact O-CA 3.31Å; L59-F166 WeakPolarHBondContact O-CA 3.48Å; I77-F166 HydrophobicContact CD1-CE1 3.77Å; I77-F166 HydrophobicContact CD1-CE2 4.38Å; I77-F166 HydrophobicContact CD1-CZ 3.4Å; I77-F166 HydrophobicContact CG1-CZ 4.42Å; K107-F166 WeakPolarHBondContact CA-O 3.45Å; F108-F166 HydrophobicContact CD1-CD2 4.14Å; F108-F166 PolarHBondContact N-O 2.95Å; F108-F166 PolarHBondContact O-N 3.39Å; I110-F166 HydrophobicContact CD1-CD2 4.43Å; I110-F166 HydrophobicContact CD1-CE2 3.74Å; I110-F166 HydrophobicContact CG1-CD2 4.47Å; I110-F166 HydrophobicContact CG1-CE2 4.05Å; F164-F166 HydrophobicContact CB-CE2 3.88Å; F164-F166 HydrophobicContact CB-CZ 4.12Å; F164-F166 WeakPolarHBondContact O-CD2 3.43Å; F164-F166 WeakPolarHBondContact O-CE2 2.76Å
167T94.7Very high85.1Confident47 Ų4772 Ų7229%0.28836%0.364SS..EExtended strand (participates in β ladder)trans-101.9118.3175.5-57.70000110.4L59 K106L59-T167 WeakPolarHBondContact CB-O 3.42Å; L59-T167 PolarHBondContact N-O 2.9Å; L59-T167 PolarHBondContact O-N 3.37Å; K106-T167 HydrophobicContact CB-CG2 4.3Å; K106-T167 CarbonylContact O-C 3.58Å; K106-T167 WeakPolarHBondContact O-CA 3.3Å
168C94.1Very high87.1Confident1 Ų169.9 Ų69.91%0.00735%0.35CS..EExtended strand (participates in β ladder)trans-88.9153.3176.5-63.70000111.5K106 T170 V173 C174K106-C168 PolarHBondContact O-N 3.48Å; C168-T170 VanDerWaalsContact C-N 3.35Å; C168-T170 PolarHBondContact O-N 3.2Å; C168-V173 HydrophobicContact CB-CG1 4.33Å; C168-C174 HydrophobicContact CB-CB 3.64Å; C168-C174 VanDerWaalsContact SG-SG 3.64Å
169Q91.7Very high89.3Confident143 Ų14366.5 Ų66.567%0.66834%0.336SS*.SBendtrans-59.1-41.9-178-169.4-178.811.600113.1K106K106-Q169 WeakPolarHBondContact CE-O 3.45Å; K106-Q169 PolarHBondContact NZ-O 3.09Å
170T94Very high91.1Very high54 Ų5464.3 Ų64.333%0.33132%0.322SS..SBendtrans-131.6155.6179.372.50000111.6C168 L172 V173 C174C168-T170 VanDerWaalsContact C-N 3.35Å; C168-T170 PolarHBondContact O-N 3.2Å; T170-L172 PolarHBondContact O-N 2.99Å; T170-V173 PolarHBondContact O-N 3.37Å; T170-V173 WeakPolarHBondContact OG1-CG2 3.25Å; T170-V173 PolarHBondContact OG1-N 2.96Å; T170-C174 PolarHBondContact O-N 2.99Å; T170-C174 VanDerWaalsContact O-N 3.08Å
171P93.8Very high92.5Very high62 Ų6257.8 Ų57.840%0.40330%0.297SS..Hα-helixtrans-62.4-32.6175.7-23.435.9000113Y103 D105 K106 C174 R175Y103-P171 PolarHBondContact OH-O 2.82Å; D105-P171 WeakPolarHBondContact O-CA 3.27Å; D105-P171 WeakPolarHBondContact O-CB 3.49Å; K106-P171 HydrophobicContact CG-CG 4.02Å; P171-C174 WeakPolarHBondContact O-CB 3.43Å; P171-C174 PolarHBondContact O-N 2.82Å; P171-R175 WeakPolarHBondContact O-CB 3.41Å; P171-R175 PolarHBondContact O-N 3.45Å
172L93.9Very high93.4Very high130 Ų13056.7 Ų56.768%0.68129%0.288SS*.Hα-helixtrans-68-42.6-179.5-157.9160.5000111.3T170 T176T170-L172 PolarHBondContact O-N 2.99Å; L172-T176 WeakPolarHBondContact O-CB 3.26Å; L172-T176 PolarHBondContact O-N 3.11Å; L172-T176 PolarHBondContact O-OG1 2.94Å
173V93.6Very high93.8Very high47 Ų4756.3 Ų56.329%0.28529%0.294SS..Hα-helixtrans-61.8-44.6170.3170.90000110.6Y56 C168 T170 R175 T176 V177Y56-V173 HydrophobicContact CD1-CG1 4.4Å; C168-V173 HydrophobicContact CB-CG1 4.33Å; T170-V173 PolarHBondContact O-N 3.37Å; T170-V173 WeakPolarHBondContact OG1-CG2 3.25Å; T170-V173 PolarHBondContact OG1-N 2.96Å; V173-R175 PolarHBondContact O-N 2.95Å; V173-T176 WeakPolarHBondContact O-CB 3.44Å; V173-T176 PolarHBondContact O-N 3.37Å; V173-T176 VanDerWaalsContact O-N 3.08Å; V173-V177 HydrophobicContact CG1-CG2 4.4Å; V173-V177 WeakPolarHBondContact O-CG2 3.44Å; V173-V177 PolarHBondContact O-N 3.24Å
174C95.1Very high94.1Very high0 Ų054.5 Ų54.50%028%0.283CS..Hα-helixtrans-61.2-43.5-180-154.30000112.9Y103 K106 C168 T170 P171 T176 V177 W178Y103-C174 HydrophobicContact CD2-CB 4.07Å; Y103-C174 VanDerWaalsContact CD2-SG 3.5Å; Y103-C174 HydrophobicContact CE2-CB 3.56Å; Y103-C174 VanDerWaalsContact CE2-SG 3.54Å; K106-C174 PolarHBondContact O-SG 2.91Å; K106-C174 VanDerWaalsContact O-SG 3.36Å; C168-C174 HydrophobicContact CB-CB 3.64Å; C168-C174 VanDerWaalsContact SG-SG 3.64Å; T170-C174 PolarHBondContact O-N 2.99Å; T170-C174 VanDerWaalsContact O-N 3.08Å; P171-C174 WeakPolarHBondContact O-CB 3.43Å; P171-C174 PolarHBondContact O-N 2.82Å; C174-T176 VanDerWaalsContact C-N 3.34Å; C174-T176 PolarHBondContact O-N 2.95Å; C174-V177 WeakPolarHBondContact O-CB 3.36Å; C174-V177 PolarHBondContact O-N 2.99Å; C174-W178 PolarHBondContact O-N 3.45Å
175R94.5Very high94.2Very high162 Ų16253.2 Ų53.261%0.61128%0.278SS*.Hα-helixtrans-62.3-39.4171.5-173.3179.4-179.6-176.30.2111.8Y103 P171 V173 W178 M179Y103-R175 HydrophobicContact CE1-CB 4.11Å; Y103-R175 HydrophobicContact CE1-CG 4.35Å; P171-R175 WeakPolarHBondContact O-CB 3.41Å; P171-R175 PolarHBondContact O-N 3.45Å; V173-R175 PolarHBondContact O-N 2.95Å; R175-W178 PolarHBondContact O-N 3.05Å; R175-M179 HydrophobicContact CG-CG 4.35Å; R175-M179 WeakPolarHBondContact O-CB 3.22Å; R175-M179 WeakPolarHBondContact O-CG 3.44Å; R175-M179 PolarHBondContact O-N 3.39Å
176T95.5Very high94.1Very high55 Ų5560.7 Ų60.734%0.33730%0.302SS..Hα-helixtrans-68.3-38.9178.9-55.80000112.3Y56 L172 V173 C174 S180Y56-T176 HydrophobicContact CE1-CG2 4.02Å; L172-T176 WeakPolarHBondContact O-CB 3.26Å; L172-T176 PolarHBondContact O-N 3.11Å; L172-T176 PolarHBondContact O-OG1 2.94Å; V173-T176 WeakPolarHBondContact O-CB 3.44Å; V173-T176 PolarHBondContact O-N 3.37Å; V173-T176 VanDerWaalsContact O-N 3.08Å; C174-T176 VanDerWaalsContact C-N 3.34Å; C174-T176 PolarHBondContact O-N 2.95Å; T176-S180 WeakPolarHBondContact O-CB 3.48Å; T176-S180 PolarHBondContact O-N 3.08Å; T176-S180 PolarHBondContact O-OG 2.9Å
177V95.3Very high94Very high0 Ų065.6 Ų65.60%032%0.324CS..Hα-helixtrans-57.2-55170.11610000109.8Y56 L68 I70 F108 V173 C174 S180 A181Y56-V177 HydrophobicContact CD1-CG2 3.65Å; Y56-V177 HydrophobicContact CD2-CG2 3.77Å; Y56-V177 HydrophobicContact CE1-CG2 4.2Å; Y56-V177 HydrophobicContact CE2-CG2 4.3Å; Y56-V177 HydrophobicContact CG-CG2 3.41Å; Y56-V177 VanDerWaalsContact CG-CG2 3.41Å; L68-V177 HydrophobicContact CD2-CG1 3.56Å; I70-V177 HydrophobicContact CD1-CG1 4.02Å; I70-V177 WeakPolarHBondContact CD1-O 3.46Å; F108-V177 HydrophobicContact CB-CG1 4.43Å; F108-V177 HydrophobicContact CD1-CG1 3.78Å; F108-V177 HydrophobicContact CD2-CG1 3.99Å; F108-V177 HydrophobicContact CE1-CG1 3.93Å; F108-V177 HydrophobicContact CE2-CG1 4.13Å; F108-V177 HydrophobicContact CG-CG1 3.8Å; F108-V177 HydrophobicContact CZ-CG1 4.09Å; V173-V177 HydrophobicContact CG1-CG2 4.4Å; V173-V177 WeakPolarHBondContact O-CG2 3.44Å; V173-V177 PolarHBondContact O-N 3.24Å; C174-V177 WeakPolarHBondContact O-CB 3.36Å; C174-V177 PolarHBondContact O-N 2.99Å; V177-S180 PolarHBondContact O-N 3.41Å; V177-A181 PolarHBondContact O-N 3.21Å
178W95.4Very high93.8Very high76 Ų7665.8 Ų65.829%0.28832%0.321SS..Hα-helixtrans-61.4-47.8-178.8-178.783.2000112.5L101 Y103 F108 C174 R175 S180 A181 I182L101-W178 PolarHBondContact O-NE1 3.03Å; Y103-W178 VanDerWaalsContact CB-CD1 3.45Å; Y103-W178 HydrophobicContact CG-CB 4.15Å; Y103-W178 HydrophobicContact CG-CG 4.22Å; F108-W178 HydrophobicContact CD2-CB 4.01Å; F108-W178 HydrophobicContact CD2-CG 4.47Å; F108-W178 HydrophobicContact CE2-CB 4.22Å; F108-W178 AromaticContact CE2-CD1 3.99Å; C174-W178 PolarHBondContact O-N 3.45Å; R175-W178 PolarHBondContact O-N 3.05Å; W178-S180 VanDerWaalsContact C-N 3.3Å; W178-S180 PolarHBondContact O-N 3Å; W178-A181 PolarHBondContact O-N 3.49Å; W178-I182 HydrophobicContact CD2-CG1 3.92Å; W178-I182 HydrophobicContact CE3-CG1 4.4Å; W178-I182 HydrophobicContact CG-CG1 4.36Å; W178-I182 HydrophobicContact CH2-CG1 4.33Å; W178-I182 HydrophobicContact CZ2-CD1 4.08Å; W178-I182 HydrophobicContact CZ2-CG1 3.83Å; W178-I182 WeakPolarHBondContact O-CB 3.37Å; W178-I182 WeakPolarHBondContact O-CG1 3.21Å; W178-I182 PolarHBondContact O-N 2.9Å
179M94.7Very high93.6Very high102 Ų10269 Ų6950%0.50234%0.337SS..Hα-helixtrans-57.8-41.6176-73.2-64.8-60.700112.2R175 A183R175-M179 HydrophobicContact CG-CG 4.35Å; R175-M179 WeakPolarHBondContact O-CB 3.22Å; R175-M179 WeakPolarHBondContact O-CG 3.44Å; R175-M179 PolarHBondContact O-N 3.39Å; M179-A183 WeakPolarHBondContact O-CB 3.36Å; M179-A183 PolarHBondContact O-N 2.89Å
180S94.5Very high93.4Very high11 Ų1167.7 Ų67.78%0.07733%0.331CS..Hα-helixtrans-68.6-38.5178.7-590000111.9Y56 T176 V177 W178 Q184Y56-S180 PolarHBondContact OH-OG 3.17Å; Y56-S180 VanDerWaalsContact OH-OG 3.08Å; T176-S180 WeakPolarHBondContact O-CB 3.48Å; T176-S180 PolarHBondContact O-N 3.08Å; T176-S180 PolarHBondContact O-OG 2.9Å; V177-S180 PolarHBondContact O-N 3.41Å; W178-S180 VanDerWaalsContact C-N 3.3Å; W178-S180 PolarHBondContact O-N 3Å; S180-Q184 WeakPolarHBondContact O-CG 3.49Å; S180-Q184 PolarHBondContact O-N 3.35Å; S180-Q184 VanDerWaalsContact O-N 3.16Å
181A95.6Very high93Very high0 Ų069.3 Ų69.30%033%0.331CS..Hα-helixtrans-67.9-45.3176.200000112.1I70 I75 W95 L101 F108 V177 W178 A183 Q184 H185I70-A181 HydrophobicContact CD1-CB 4.03Å; I70-A181 HydrophobicContact CG2-CB 4.38Å; I75-A181 HydrophobicContact CD1-CB 4.18Å; W95-A181 HydrophobicContact CH2-CB 4Å; W95-A181 WeakPolarHBondContact CH2-O 3.38Å; L101-A181 HydrophobicContact CD1-CB 3.68Å; F108-A181 HydrophobicContact CE2-CB 4.39Å; F108-A181 HydrophobicContact CZ-CB 4.21Å; V177-A181 PolarHBondContact O-N 3.21Å; W178-A181 PolarHBondContact O-N 3.49Å; A181-A183 PolarHBondContact O-N 3.04Å; A181-Q184 PolarHBondContact O-N 3.02Å; A181-H185 WeakPolarHBondContact O-CB 3.44Å; A181-H185 PolarHBondContact O-N 3.36Å
182I94.6Very high92.5Very high60 Ų6070.6 Ų70.631%0.30833%0.33SS..Hα-helixtrans-61.5-42.1176.3-68.4-71.2000111.4L101 W178 H185 R186L101-I182 HydrophobicContact CB-CD1 4.14Å; L101-I182 HydrophobicContact CD1-CD1 4.07Å; L101-I182 HydrophobicContact CD1-CG1 4.46Å; W178-I182 HydrophobicContact CD2-CG1 3.92Å; W178-I182 HydrophobicContact CE3-CG1 4.4Å; W178-I182 HydrophobicContact CG-CG1 4.36Å; W178-I182 HydrophobicContact CH2-CG1 4.33Å; W178-I182 HydrophobicContact CZ2-CD1 4.08Å; W178-I182 HydrophobicContact CZ2-CG1 3.83Å; W178-I182 WeakPolarHBondContact O-CB 3.37Å; W178-I182 WeakPolarHBondContact O-CG1 3.21Å; W178-I182 PolarHBondContact O-N 2.9Å; I182-H185 PolarHBondContact O-N 3.15Å; I182-R186 VanDerWaalsContact O-CB 3.29Å; I182-R186 WeakPolarHBondContact O-CB 3.42Å; I182-R186 PolarHBondContact O-N 3.36Å
183A94.1Very high91.8Very high59 Ų5968 Ų6849%0.48832%0.315SS..Hα-helixtrans-62.5-46.4177.600000112.4M179 A181 R186 F187M179-A183 WeakPolarHBondContact O-CB 3.36Å; M179-A183 PolarHBondContact O-N 2.89Å; A181-A183 PolarHBondContact O-N 3.04Å; A183-R186 PolarHBondContact O-N 2.95Å; A183-F187 PolarHBondContact O-N 2.92Å; A183-F187 VanDerWaalsContact O-N 3.09Å
184Q94Very high90.9Very high53 Ų5370.9 Ų70.925%0.24833%0.328CS..Hα-helixtrans-67-40.8177.3-69.2-66.7-21.300112.1I70 W95 S180 A181 F187 F188I70-Q184 HydrophobicContact CG2-CB 4.47Å; I70-Q184 HydrophobicContact CG2-CG 4.13Å; W95-Q184 HydrophobicContact CH2-CB 4.27Å; W95-Q184 HydrophobicContact CZ2-CB 3.43Å; W95-Q184 VanDerWaalsContact CZ2-CB 3.43Å; W95-Q184 HydrophobicContact CZ2-CG 4.44Å; S180-Q184 WeakPolarHBondContact O-CG 3.49Å; S180-Q184 PolarHBondContact O-N 3.35Å; S180-Q184 VanDerWaalsContact O-N 3.16Å; A181-Q184 PolarHBondContact O-N 3.02Å; Q184-F187 PolarHBondContact O-N 3.39Å; Q184-F188 PolarHBondContact O-N 2.94Å
185H93Very high89.8Confident23 Ų2378.4 Ų78.411%0.10636%0.361CS..Hα-helixtrans-65.3-42.3176.4-167.4-169.8000111.7W95 A181 I182 F187 F188 L189W95-H185 HydrophobicContact CD2-CB 4.15Å; W95-H185 HydrophobicContact CE3-CB 3.65Å; W95-H185 AromaticContact CE3-CG 3.8Å; W95-H185 HydrophobicContact CZ3-CB 3.86Å; A181-H185 WeakPolarHBondContact O-CB 3.44Å; A181-H185 PolarHBondContact O-N 3.36Å; I182-H185 PolarHBondContact O-N 3.15Å; H185-F187 PolarHBondContact O-N 3.05Å; H185-F188 AromaticContact CD2-CD1 3.96Å; H185-F188 WeakPolarHBondContact O-CB 3.45Å; H185-F188 PolarHBondContact O-N 3.39Å; H185-L189 WeakPolarHBondContact O-CG 3.5Å; H185-L189 PolarHBondContact O-N 3.46Å
186R91.3Very high88.7Confident188 Ų18877.1 Ų77.171%0.70936%0.359SS*.Hα-helixtrans-58.9-46.4175.1179.9174.5173.7162.6-1.1111.7I182 A183 F188 L189 E190I182-R186 VanDerWaalsContact O-CB 3.29Å; I182-R186 WeakPolarHBondContact O-CB 3.42Å; I182-R186 PolarHBondContact O-N 3.36Å; A183-R186 PolarHBondContact O-N 2.95Å; R186-F188 VanDerWaalsContact C-N 3.34Å; R186-F188 PolarHBondContact O-N 3.47Å; R186-L189 PolarHBondContact O-N 3.3Å; R186-E190 WeakPolarHBondContact O-CB 3.4Å; R186-E190 PolarHBondContact O-N 3.32Å
187F90.7Very high87.4Confident105 Ų10582 Ų8246%0.46138%0.376SS..Hα-helixtrans-61.2-40.5176177.5-107.2000112.4A183 Q184 H185 R191A183-F187 PolarHBondContact O-N 2.92Å; A183-F187 VanDerWaalsContact O-N 3.09Å; Q184-F187 PolarHBondContact O-N 3.39Å; H185-F187 PolarHBondContact O-N 3.05Å; F187-R191 VanDerWaalsContact O-CB 3.24Å; F187-R191 WeakPolarHBondContact O-CB 3.18Å; F187-R191 PolarHBondContact O-N 3Å
188F90.8Very high85.3Confident51 Ų5184.6 Ų84.622%0.22440%0.403CS..Hα-helixtrans-61.9-44172.8168.5-95.6000112.5W95 R96 Q184 H185 R186 R191 K192W95-F188 HydrophobicContact CB-CB 4.02Å; W95-F188 HydrophobicContact CB-CD1 3.43Å; W95-F188 VanDerWaalsContact CB-CD1 3.43Å; W95-F188 HydrophobicContact CB-CD2 3.88Å; W95-F188 HydrophobicContact CB-CE1 3.76Å; W95-F188 HydrophobicContact CB-CE2 4.2Å; W95-F188 HydrophobicContact CB-CG 3.49Å; W95-F188 VanDerWaalsContact CB-CG 3.49Å; W95-F188 HydrophobicContact CB-CZ 4.14Å; W95-F188 HydrophobicContact CG-CB 4.07Å; W95-F188 HydrophobicContact CG-CD1 4.36Å; W95-F188 HydrophobicContact CG-CD2 4.49Å; W95-F188 HydrophobicContact CG-CG 4.06Å; W95-F188 WeakPolarHBondContact O-CE1 3.43Å; R96-F188 HydrophobicContact CB-CZ 4.01Å; Q184-F188 PolarHBondContact O-N 2.94Å; H185-F188 AromaticContact CD2-CD1 3.96Å; H185-F188 WeakPolarHBondContact O-CB 3.45Å; H185-F188 PolarHBondContact O-N 3.39Å; R186-F188 VanDerWaalsContact C-N 3.34Å; R186-F188 PolarHBondContact O-N 3.47Å; F188-R191 CarbonylContact O-C 3.59Å; F188-R191 PolarHBondContact O-N 3.08Å; F188-K192 HydrophobicContact CE1-CD 4.1Å; F188-K192 HydrophobicContact CZ-CD 4.35Å; F188-K192 WeakPolarHBondContact O-CB 3.42Å; F188-K192 PolarHBondContact O-N 3.19Å
189L89.9Confident82.7Confident67 Ų6788.1 Ų88.135%0.35142%0.422SS..Hα-helixtrans-66.2-43.8179.1-70.1173000111.9H185 R186 R191 K192 E193H185-L189 WeakPolarHBondContact O-CG 3.5Å; H185-L189 PolarHBondContact O-N 3.46Å; R186-L189 PolarHBondContact O-N 3.3Å; L189-R191 VanDerWaalsContact C-N 3.34Å; L189-R191 PolarHBondContact O-N 3.38Å; L189-K192 HydrophobicContact CD2-CD 4.39Å; L189-K192 CarbonylContact O-C 3.58Å; L189-K192 WeakPolarHBondContact O-CA 3.21Å; L189-K192 WeakPolarHBondContact O-CB 3.18Å; L189-K192 PolarHBondContact O-N 2.86Å; L189-E193 PolarHBondContact O-N 3.2Å
190E88.1Confident80.3Confident116 Ų11692.3 Ų92.354%0.54244%0.44SS..Hα-helixtrans-57.3-47.5173.7-179.1171.5-164.600111.5R186 K192 E193 L194R186-E190 WeakPolarHBondContact O-CB 3.4Å; R186-E190 PolarHBondContact O-N 3.32Å; E190-K192 PolarHBondContact O-N 3.17Å; E190-E193 PolarHBondContact O-N 3.24Å; E190-L194 HydrophobicContact CG-CD1 4.4Å; E190-L194 WeakPolarHBondContact O-CG 3.46Å; E190-L194 PolarHBondContact O-N 3.22Å
191R83.8Confident77.8Confident88 Ų8899.6 Ų99.633%0.33247%0.473SS..Hα-helixtrans-65.6-17.8175-166.4171.4-173.871.52113.7F187 F188 L189 K195 A205F187-R191 VanDerWaalsContact O-CB 3.24Å; F187-R191 WeakPolarHBondContact O-CB 3.18Å; F187-R191 PolarHBondContact O-N 3Å; F188-R191 CarbonylContact O-C 3.59Å; F188-R191 PolarHBondContact O-N 3.08Å; L189-R191 VanDerWaalsContact C-N 3.34Å; L189-R191 PolarHBondContact O-N 3.38Å; R191-K195 WeakPolarHBondContact O-CG 3.37Å; R191-A205 PolarHBondContact NH1-O 3.34Å; R191-A205 PolarHBondContact NH2-O 3.49Å
192K83.7Confident75Confident89 Ų89103.4 Ų103.439%0.38750%0.499SS..Hα-helixtrans-87.3-41.8174.3-175.5-177.5-179.2-178.20111.6F188 L189 E190 K195 K196F188-K192 HydrophobicContact CE1-CD 4.1Å; F188-K192 HydrophobicContact CZ-CD 4.35Å; F188-K192 WeakPolarHBondContact O-CB 3.42Å; F188-K192 PolarHBondContact O-N 3.19Å; L189-K192 HydrophobicContact CD2-CD 4.39Å; L189-K192 CarbonylContact O-C 3.58Å; L189-K192 WeakPolarHBondContact O-CA 3.21Å; L189-K192 WeakPolarHBondContact O-CB 3.18Å; L189-K192 PolarHBondContact O-N 2.86Å; E190-K192 PolarHBondContact O-N 3.17Å; K192-K195 PolarHBondContact O-N 3.46Å; K192-K196 PolarHBondContact O-N 2.99Å
193E79.9Confident72.4Confident75 Ų75112.5 Ų112.535%0.3553%0.53SS..Hα-helixtrans-70-36.5176.8-62.7-45.9114.500112.3L189 E190 K195 K196 K197L189-E193 PolarHBondContact O-N 3.2Å; E190-E193 PolarHBondContact O-N 3.24Å; E193-K195 PolarHBondContact O-N 2.98Å; E193-K196 PolarHBondContact O-N 2.78Å; E193-K196 WeakPolarHBondContact OE1-CE 3.17Å; E193-K196 IonicContact OE1-NZ 3.04Å; E193-K196 PolarHBondContact OE1-NZ 2.98Å; E193-K196 WeakPolarHBondContact OE2-CD 3.41Å; E193-K196 WeakPolarHBondContact OE2-CE 3.2Å; E193-K196 IonicContact OE2-NZ 2.68Å; E193-K196 PolarHBondContact OE2-NZ 3.2Å; E193-K197 PolarHBondContact O-N 3.27Å; E193-K197 VanDerWaalsContact O-N 3.17Å
194L74.3Confident69.8Low108 Ų108114.6 Ų114.657%0.56553%0.533SS*.Hα-helixtrans-54.8-38.8171.6-77166.9000112.2E190 K196E190-L194 HydrophobicContact CG-CD1 4.4Å; E190-L194 WeakPolarHBondContact O-CG 3.46Å; E190-L194 PolarHBondContact O-N 3.22Å; L194-K196 VanDerWaalsContact C-N 3.34Å; L194-K196 PolarHBondContact O-N 3.45Å
195K72.5Confident67.4Low159 Ų159114 Ų11469%0.69154%0.537SS*.Hα-helixtrans-70.6-24.6176.1-69.2177178.4-173.80113.8R191 K192 E193R191-K195 WeakPolarHBondContact O-CG 3.37Å; K192-K195 PolarHBondContact O-N 3.46Å; E193-K195 PolarHBondContact O-N 2.98Å
196K72.1Confident65.5Low134 Ų134116 Ų11658%0.58355%0.551SS**Hα-helixtrans-80.8-31.9177-64.8-174.6-164.11590112.9K192 E193 L194 G198K192-K196 PolarHBondContact O-N 2.99Å; E193-K196 PolarHBondContact O-N 2.78Å; E193-K196 WeakPolarHBondContact OE1-CE 3.17Å; E193-K196 IonicContact OE1-NZ 3.04Å; E193-K196 PolarHBondContact OE1-NZ 2.98Å; E193-K196 WeakPolarHBondContact OE2-CD 3.41Å; E193-K196 WeakPolarHBondContact OE2-CE 3.2Å; E193-K196 IonicContact OE2-NZ 2.68Å; E193-K196 PolarHBondContact OE2-NZ 3.2Å; L194-K196 VanDerWaalsContact C-N 3.34Å; L194-K196 PolarHBondContact O-N 3.45Å; K196-G198 PolarHBondContact O-N 3.22Å
197K66.2Low63.9Low158 Ų158111.6 Ų111.669%0.68754%0.544SS*.SBendtrans-73.723.5-171.5-74.5-173.8175.1-175.70115.3E193 H199E193-K197 PolarHBondContact O-N 3.27Å; E193-K197 VanDerWaalsContact O-N 3.17Å; K197-H199 PolarHBondContact O-N 3.41Å; K197-H199 PolarHBondContact O-ND1 3.21Å
198G51.5Low62.7Low54 Ų54110.8 Ų110.856%0.55755%0.545SS*.  trans60.311.9164.800000116.9K196 H200K196-G198 PolarHBondContact O-N 3.22Å; G198-H200 PolarHBondContact O-CD2 3.27Å; G198-H200 PolarHBondContact O-N 3.19Å
199H42.4Very low61.6Low151 Ų151110.6 Ų110.670%0.69954%0.544SS*.  trans-70.5101.9177.3-9050.9000109.5K197 H201K197-H199 PolarHBondContact O-N 3.41Å; K197-H199 PolarHBondContact O-ND1 3.21Å; H199-H201 PolarHBondContact O-N 3.4Å
200H43.3Very low60.8Low190 Ų190113.9 Ų113.988%0.8856%0.558SS**  trans-66.212.3174.1-84.6-94.1000114.3G198 S202G198-H200 PolarHBondContact O-CD2 3.27Å; G198-H200 PolarHBondContact O-N 3.19Å; H200-S202 PolarHBondContact O-N 3Å
201H41.1Very low60.3Low164 Ų164113.2 Ų113.276%0.75956%0.555SS**SBendtrans-72.772.6166.6-80.385.1000110.7H199H199-H201 PolarHBondContact O-N 3.4Å
202S37.8Very low60.1Low80 Ų80111.9 Ų111.956%0.55955%0.554SS**  trans68.7158170.2-165.30000117.4H200 N204H200-S202 PolarHBondContact O-N 3Å; S202-N204 PolarHBondContact O-N 3.33Å; S202-N204 WeakPolarHBondContact OG-CB 3.38Å; S202-N204 PolarHBondContact OG-N 3.27Å; S202-N204 VanDerWaalsContact OG-N 3.12Å
203R39.8Very low60Low251 Ų251108.6 Ų108.695%0.94754%0.542SS*.SBendtrans-70.4-5.6163.1-71.4161.169.1135.2-6.9111.5A205R203-A205 PolarHBondContact O-N 3.17Å
204N39.9Very low60.1Low103 Ų103109 Ų10955%0.55154%0.544SS*.  trans-95.183179.3-65.3-12.5000112.4S202 V206S202-N204 PolarHBondContact O-N 3.33Å; S202-N204 WeakPolarHBondContact OG-CB 3.38Å; S202-N204 PolarHBondContact OG-N 3.27Å; S202-N204 VanDerWaalsContact OG-N 3.12Å; N204-V206 HydrophobicContact CB-CB 4.17Å; N204-V206 HydrophobicContact CB-CG2 4.36Å; N204-V206 PolarHBondContact O-N 3.02Å
205A44.1Very low60.4Low41 Ų41108.5 Ų108.534%0.33954%0.537SS..  trans-76.28.9144.800000111.5R191 R203R191-A205 PolarHBondContact NH1-O 3.34Å; R191-A205 PolarHBondContact NH2-O 3.49Å; R203-A205 PolarHBondContact O-N 3.17Å
206V51.3Low60.8Low65 Ų65102.4 Ų102.439%0.39451%0.512SS..SBendtrans-58.4133.8158.9-173.40000106.6N204 D208 H209N204-V206 HydrophobicContact CB-CB 4.17Å; N204-V206 HydrophobicContact CB-CG2 4.36Å; N204-V206 PolarHBondContact O-N 3.02Å; V206-D208 PolarHBondContact O-N 3.05Å; V206-H209 WeakPolarHBondContact CG1-NE2 3.17Å
207V57.7Low61.3Low94 Ų9497.4 Ų97.457%0.5749%0.491SS*.  trans-52.9126.1171.1175.20000107.1H209 L212V207-H209 PolarHBondContact O-N 3.35Å; V207-L212 HydrophobicContact CG1-CB 4.31Å; V207-L212 HydrophobicContact CG1-CD2 3.83Å
208D66.6Low62Low88 Ų8897.6 Ų97.647%0.47149%0.487SS..  trans-63108.2-178.8178.827000109.2V206 Q210 E211 L212V206-D208 PolarHBondContact O-N 3.05Å; D208-Q210 PolarHBondContact O-N 3.07Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.33Å; D208-Q210 PolarHBondContact OD1-N 2.95Å; D208-E211 HydrophobicContact CB-CB 4.1Å; D208-E211 PolarHBondContact O-N 3.01Å; D208-E211 VanDerWaalsContact OD2-CB 3.3Å; D208-E211 WeakPolarHBondContact OD2-CB 3.3Å; D208-E211 PolarHBondContact OD2-N 3.35Å; D208-L212 VanDerWaalsContact O-CB 3.27Å; D208-L212 WeakPolarHBondContact O-CB 3.44Å; D208-L212 PolarHBondContact O-N 3.26Å
209H67.5Low63.2Low47 Ų47100.1 Ų100.122%0.21849%0.488CS..Hα-helixtrans-68.6-20.5-178.9-68.2-67.9000111.2I39 K43 V206 V207 T213I39-H209 HydrophobicContact CG2-CB 4.04Å; K43-H209 WeakPolarHBondContact CE-CD2 3.31Å; K43-H209 WeakPolarHBondContact CE-ND1 3.48Å; K43-H209 WeakPolarHBondContact CE-NE2 3.38Å; V206-H209 WeakPolarHBondContact CG1-NE2 3.17Å; V207-H209 PolarHBondContact O-N 3.35Å; H209-T213 WeakPolarHBondContact O-CB 3.36Å; H209-T213 PolarHBondContact O-N 3.35Å; H209-T213 PolarHBondContact O-OG1 3.33Å
210Q73.1Confident64.6Low136 Ų13695.3 Ų95.364%0.63647%0.469SS*.Hα-helixtrans-75.5-56.3173.6-174.7168.5-22.700110.6D208 L212 T213 E214D208-Q210 PolarHBondContact O-N 3.07Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.33Å; D208-Q210 PolarHBondContact OD1-N 2.95Å; Q210-L212 VanDerWaalsContact C-N 3.29Å; Q210-L212 PolarHBondContact O-N 2.94Å; Q210-T213 WeakPolarHBondContact O-CB 3.44Å; Q210-T213 PolarHBondContact O-N 2.88Å; Q210-T213 VanDerWaalsContact O-N 3.09Å; Q210-E214 PolarHBondContact O-N 2.87Å
211E77.3Confident65.8Low103 Ų10390.8 Ų90.848%0.48146%0.459SS..Hα-helixtrans-56-41.7174.9-162.4-153.8-166.300112.3D208 E214 K215D208-E211 HydrophobicContact CB-CB 4.1Å; D208-E211 PolarHBondContact O-N 3.01Å; D208-E211 VanDerWaalsContact OD2-CB 3.3Å; D208-E211 WeakPolarHBondContact OD2-CB 3.3Å; D208-E211 PolarHBondContact OD2-N 3.35Å; E211-E214 PolarHBondContact O-N 3.29Å; E211-K215 VanDerWaalsContact CD-CE 3.43Å; E211-K215 HydrophobicContact CG-CD 4.37Å; E211-K215 WeakPolarHBondContact O-CB 3.34Å; E211-K215 VanDerWaalsContact O-CG 3.31Å; E211-K215 WeakPolarHBondContact O-CG 3.43Å; E211-K215 PolarHBondContact O-N 3.06Å; E211-K215 WeakPolarHBondContact OE1-CE 3.47Å; E211-K215 IonicContact OE1-NZ 2.86Å; E211-K215 PolarHBondContact OE1-NZ 3.45Å; E211-K215 IonicContact OE2-NZ 2.7Å; E211-K215 PolarHBondContact OE2-NZ 2.88Å
212L80Confident66.7Low59 Ų5988.2 Ų88.231%0.30946%0.455SS..Hα-helixtrans-69.6-37.3176.6-176.959.4000112.5I39 V207 D208 Q210 K215 L216I39-L212 HydrophobicContact CD1-CD2 3.55Å; I39-L212 HydrophobicContact CD1-CG 3.84Å; V207-L212 HydrophobicContact CG1-CB 4.31Å; V207-L212 HydrophobicContact CG1-CD2 3.83Å; D208-L212 VanDerWaalsContact O-CB 3.27Å; D208-L212 WeakPolarHBondContact O-CB 3.44Å; D208-L212 PolarHBondContact O-N 3.26Å; Q210-L212 VanDerWaalsContact C-N 3.29Å; Q210-L212 PolarHBondContact O-N 2.94Å; L212-K215 PolarHBondContact O-N 3.33Å; L212-L216 HydrophobicContact CD1-CD1 4.35Å; L212-L216 HydrophobicContact CD1-CG 4.28Å; L212-L216 HydrophobicContact CG-CD1 4.14Å; L212-L216 WeakPolarHBondContact O-CB 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.35Å; L212-L216 PolarHBondContact O-N 3.04Å
213T81.8Confident67.4Low21 Ų2188 Ų8813%0.12945%0.453CS..Hα-helixtrans-62.6-43.6172.4-69.70000110.6T36 H209 Q210 L216 N217T36-T213 HydrophobicContact CG2-CG2 4.49Å; T36-T213 WeakPolarHBondContact OG1-CG2 3.36Å; H209-T213 WeakPolarHBondContact O-CB 3.36Å; H209-T213 PolarHBondContact O-N 3.35Å; H209-T213 PolarHBondContact O-OG1 3.33Å; Q210-T213 WeakPolarHBondContact O-CB 3.44Å; Q210-T213 PolarHBondContact O-N 2.88Å; Q210-T213 VanDerWaalsContact O-N 3.09Å; T213-L216 PolarHBondContact O-N 3.3Å; T213-N217 VanDerWaalsContact CG2-ND2 3.34Å; T213-N217 WeakPolarHBondContact CG2-ND2 3.48Å; T213-N217 VanDerWaalsContact O-CB 3.26Å; T213-N217 WeakPolarHBondContact O-CB 3.29Å; T213-N217 PolarHBondContact O-N 3.01Å; T213-N217 PolarHBondContact O-ND2 3.33Å
214E80.8Confident67.9Low84 Ų8481 Ų8139%0.39344%0.443SS..Hα-helixtrans-62.5-44.6175.2-78.6-165.9-136.400112.6Q210 E211 N217 R218Q210-E214 PolarHBondContact O-N 2.87Å; E211-E214 PolarHBondContact O-N 3.29Å; E214-N217 PolarHBondContact O-N 3.33Å; E214-R218 WeakPolarHBondContact O-CB 3.1Å; E214-R218 WeakPolarHBondContact O-CD 3.42Å; E214-R218 WeakPolarHBondContact O-CG 3.32Å; E214-R218 PolarHBondContact O-N 3.22Å; E214-R218 IonicContact OE2-CZ 2.88Å; E214-R218 IonicContact OE2-NE 2.63Å; E214-R218 IonicContact OE2-NH2 3.95Å; E214-R218 PolarHBondContact OE2-NH2 2.85Å
215K81.4Confident68Low96 Ų9683.7 Ų83.742%0.41746%0.456SS..Hα-helixtrans-60-47.7175.9-75.3168-179.6169.40111.4E211 L212 R218 L219E211-K215 VanDerWaalsContact CD-CE 3.43Å; E211-K215 HydrophobicContact CG-CD 4.37Å; E211-K215 WeakPolarHBondContact O-CB 3.34Å; E211-K215 VanDerWaalsContact O-CG 3.31Å; E211-K215 WeakPolarHBondContact O-CG 3.43Å; E211-K215 PolarHBondContact O-N 3.06Å; E211-K215 WeakPolarHBondContact OE1-CE 3.47Å; E211-K215 IonicContact OE1-NZ 2.86Å; E211-K215 PolarHBondContact OE1-NZ 3.45Å; E211-K215 IonicContact OE2-NZ 2.7Å; E211-K215 PolarHBondContact OE2-NZ 2.88Å; L212-K215 PolarHBondContact O-N 3.33Å; K215-R218 PolarHBondContact O-N 3.01Å; K215-L219 VanDerWaalsContact O-CG 3.3Å; K215-L219 WeakPolarHBondContact O-CG 3.44Å; K215-L219 PolarHBondContact O-N 3.44Å
216L82Confident68Low32 Ų3284.5 Ų84.517%0.16847%0.469CS..Hα-helixtrans-63.6-44.5177.1-72.8170.1000112M38 I39 L212 T213 R218 L219 T220M38-L216 HydrophobicContact CB-CD1 4.42Å; M38-L216 HydrophobicContact CE-CD2 4.04Å; M38-L216 HydrophobicContact SD-CD2 4.41Å; I39-L216 HydrophobicContact CD1-CD1 3.84Å; I39-L216 HydrophobicContact CG1-CD1 3.79Å; L212-L216 HydrophobicContact CD1-CD1 4.35Å; L212-L216 HydrophobicContact CD1-CG 4.28Å; L212-L216 HydrophobicContact CG-CD1 4.14Å; L212-L216 WeakPolarHBondContact O-CB 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.35Å; L212-L216 PolarHBondContact O-N 3.04Å; T213-L216 PolarHBondContact O-N 3.3Å; L216-R218 PolarHBondContact O-N 2.92Å; L216-L219 PolarHBondContact O-N 2.99Å; L216-T220 WeakPolarHBondContact O-CG2 3.34Å; L216-T220 PolarHBondContact O-N 2.92Å; L216-T220 PolarHBondContact O-OG1 2.94Å; L216-T220 VanDerWaalsContact O-OG1 3.09Å
217N82Confident67.8Low28 Ų2887.8 Ų87.815%0.1549%0.494CS..Hα-helixtrans-58.2-48.9176.8-74.3-22.7000111P33 G35 T36 T213 E214 L219 T220 S221P33-N217 VanDerWaalsContact CB-CG 3.45Å; P33-N217 WeakPolarHBondContact CB-ND2 3.32Å; P33-N217 WeakPolarHBondContact CB-OD1 3.5Å; G35-N217 WeakPolarHBondContact CA-OD1 3.45Å; G35-N217 PolarHBondContact N-OD1 3.05Å; T36-N217 PolarHBondContact N-OD1 3.16Å; T36-N217 PolarHBondContact OG1-ND2 3.41Å; T213-N217 VanDerWaalsContact CG2-ND2 3.34Å; T213-N217 WeakPolarHBondContact CG2-ND2 3.48Å; T213-N217 VanDerWaalsContact O-CB 3.26Å; T213-N217 WeakPolarHBondContact O-CB 3.29Å; T213-N217 PolarHBondContact O-N 3.01Å; T213-N217 PolarHBondContact O-ND2 3.33Å; E214-N217 PolarHBondContact O-N 3.33Å; N217-L219 PolarHBondContact O-N 3.21Å; N217-T220 WeakPolarHBondContact CA-OG1 3.45Å; N217-T220 PolarHBondContact O-N 3.37Å; N217-T220 PolarHBondContact O-OG1 2.7Å; N217-S221 PolarHBondContact O-N 3.05Å; N217-S221 PolarHBondContact O-OG 3.47Å; N217-S221 VanDerWaalsContact O-OG 3.1Å
218R80.8Confident66.9Low162 Ų16288.3 Ų88.361%0.61150%0.502SS*.Hα-helixtrans-55.7-49.6176.3-69.7162.7-164.9-88.91.6111.6E214 K215 L216 T220 S221 T222E214-R218 WeakPolarHBondContact O-CB 3.1Å; E214-R218 WeakPolarHBondContact O-CD 3.42Å; E214-R218 WeakPolarHBondContact O-CG 3.32Å; E214-R218 PolarHBondContact O-N 3.22Å; E214-R218 IonicContact OE2-CZ 2.88Å; E214-R218 IonicContact OE2-NE 2.63Å; E214-R218 IonicContact OE2-NH2 3.95Å; E214-R218 PolarHBondContact OE2-NH2 2.85Å; K215-R218 PolarHBondContact O-N 3.01Å; L216-R218 PolarHBondContact O-N 2.92Å; R218-T220 VanDerWaalsContact C-N 3.34Å; R218-T220 PolarHBondContact O-N 3.43Å; R218-S221 PolarHBondContact O-N 3.49Å; R218-S221 VanDerWaalsContact O-N 3.15Å; R218-T222 PolarHBondContact O-N 3.44Å; R218-T222 VanDerWaalsContact O-N 3.08Å; R218-T222 PolarHBondContact O-OG1 3.42Å
219L76.8Confident65.8Low108 Ų10891.7 Ų91.757%0.56552%0.52SS*.Hα-helixtrans-58.4-43.2178.1-71.6166.1000112.4K215 L216 N217 T222K215-L219 VanDerWaalsContact O-CG 3.3Å; K215-L219 WeakPolarHBondContact O-CG 3.44Å; K215-L219 PolarHBondContact O-N 3.44Å; L216-L219 PolarHBondContact O-N 2.99Å; N217-L219 PolarHBondContact O-N 3.21Å; L219-T222 PolarHBondContact O-N 2.88Å; L219-T222 PolarHBondContact O-OG1 2.91Å
220T70.6Confident64.5Low50 Ų5094.5 Ų94.531%0.30754%0.542SS..Hα-helixtrans-74.1-22.2177.755.80000114.1V34 L216 N217 R218 S223V34-T220 HydrophobicContact CB-CG2 4.07Å; V34-T220 HydrophobicContact CG1-CG2 3.93Å; L216-T220 WeakPolarHBondContact O-CG2 3.34Å; L216-T220 PolarHBondContact O-N 2.92Å; L216-T220 PolarHBondContact O-OG1 2.94Å; L216-T220 VanDerWaalsContact O-OG1 3.09Å; N217-T220 WeakPolarHBondContact CA-OG1 3.45Å; N217-T220 PolarHBondContact O-N 3.37Å; N217-T220 PolarHBondContact O-OG1 2.7Å; R218-T220 VanDerWaalsContact C-N 3.34Å; R218-T220 PolarHBondContact O-N 3.43Å; T220-S223 PolarHBondContact O-OG 2.68Å
221S69.8Low62.9Low95 Ų9591.9 Ų91.966%0.66454%0.539SS*.Hα-helixtrans-79.8-25.4173-63.70000112.8N217 R218N217-S221 PolarHBondContact O-N 3.05Å; N217-S221 PolarHBondContact O-OG 3.47Å; N217-S221 VanDerWaalsContact O-OG 3.1Å; R218-S221 PolarHBondContact O-N 3.49Å; R218-S221 VanDerWaalsContact O-N 3.15Å
222T59Low61.1Low109 Ų10994 Ų9467%0.66955%0.553SS**Hα-helixtrans-83.8-12.6177.745.20000114.5R218 L219 S224R218-T222 PolarHBondContact O-N 3.44Å; R218-T222 VanDerWaalsContact O-N 3.08Å; R218-T222 PolarHBondContact O-OG1 3.42Å; L219-T222 PolarHBondContact O-N 2.88Å; L219-T222 PolarHBondContact O-OG1 2.91Å; T222-S224 PolarHBondContact O-N 2.64Å
223S54.1Low59.1Low75 Ų7594.7 Ų94.752%0.52456%0.562SS.*  trans-9335-171.166.10000114.5T220 L225T220-S223 PolarHBondContact O-OG 2.68Å; S223-L225 VanDerWaalsContact C-N 3.31Å; S223-L225 PolarHBondContact O-N 3.49Å
224S48.5Very low56.9Low105 Ų10598.6 Ų98.673%0.73459%0.591SS**SBendtrans-79.7-7-177.350.50000114.7T222T222-S224 PolarHBondContact O-N 2.64Å
225L43.3Very low54.8Low160 Ų160101.7 Ų101.784%0.83861%0.609SS**SBendtrans-137.2137.2170.9-65.6173.5000110S223S223-L225 VanDerWaalsContact C-N 3.31Å; S223-L225 PolarHBondContact O-N 3.49Å
226G43Very low52.6Low58 Ų58105 Ų10560%0.59863%0.626SS**SBendtrans70.767.4157.600000118.7S228G226-S228 PolarHBondContact O-N 3.31Å; G226-S228 PolarHBondContact O-OG 3.24Å
227S46.9Very low50.2Low133 Ų133108 Ų10893%0.9365%0.649SS**  trans24.764.1140.262.10000119.3
228S39.7Very low48Very low106 Ų106115 Ų11574%0.74169%0.686SS**  trans-146.673.9166.754.70000112.6G226 P230G226-S228 PolarHBondContact O-N 3.31Å; G226-S228 PolarHBondContact O-OG 3.24Å; S228-P230 WeakPolarHBondContact O-CD 3.39Å
229L43.5Very low45.7Very low159 Ų159111.9 Ų111.983%0.83269%0.69SS**PPolyproline II helixtrans-66.6122.5160.4-71.1175.5000108.3S231L229-S231 PolarHBondContact O-N 3.39Å; L229-S231 VanDerWaalsContact O-N 3.17Å
230P40.9Very low43.7Very low106 Ų106112 Ų11269%0.68870%0.699SS**PPolyproline II helixtrans-63.4120.8168.926.7-32.5000108.1S228 L232S228-P230 WeakPolarHBondContact O-CD 3.39Å; P230-L232 PolarHBondContact O-N 3.25Å
231S39.5Very low42Very low81 Ų81117.8 Ų117.857%0.56673%0.727SS**PPolyproline II helixtrans-56.2131.8-178.6173.60000110.5L229 S233 S234L229-S231 PolarHBondContact O-N 3.39Å; L229-S231 VanDerWaalsContact O-N 3.17Å; S231-S233 WeakPolarHBondContact CB-OG 3.45Å; S231-S233 PolarHBondContact O-N 2.91Å; S231-S233 PolarHBondContact O-OG 3.35Å; S231-S233 PolarHBondContact OG-OG 3.46Å; S231-S234 PolarHBondContact O-N 3.37Å; S231-S234 VanDerWaalsContact O-N 3.08Å
232L38.6Very low40.4Very low148 Ų148116.5 Ų116.578%0.77573%0.728SS**G310 helixtrans-62.6-3.8-177.1-62.4175.2000113.7P230 S234P230-L232 PolarHBondContact O-N 3.25Å; L232-S234 PolarHBondContact O-N 2.95Å
233S37.3Very low39.1Very low72 Ų72118.2 Ų118.250%0.50374%0.739SS.*G310 helixtrans-57.4-23.6165.448.10000114.1S231 L235 H236S231-S233 WeakPolarHBondContact CB-OG 3.45Å; S231-S233 PolarHBondContact O-N 2.91Å; S231-S233 PolarHBondContact O-OG 3.35Å; S231-S233 PolarHBondContact OG-OG 3.46Å; S233-L235 PolarHBondContact O-N 3.16Å; S233-H236 PolarHBondContact O-N 2.66Å
234S37.3Very low37.9Very low104 Ų104122.8 Ų122.873%0.72775%0.754SS**G310 helixtrans-67.6-0.1-175.7-159.70000115.6S231 L232S231-S234 PolarHBondContact O-N 3.37Å; S231-S234 VanDerWaalsContact O-N 3.08Å; L232-S234 PolarHBondContact O-N 2.95Å
235L35Very low38Very low148 Ų148123 Ų12378%0.77575%0.753SS**G310 helixtrans-99.1-1.4177.5-67.4174.7000114.2S233S233-L235 PolarHBondContact O-N 3.16Å
236H36.2Very low37.3Very low167 Ų167120.3 Ų120.377%0.77375%0.748SS**SBendtrans-123.518.9-168.6-69.5160.4000115.8S233S233-H236 PolarHBondContact O-N 2.66Å
237S30.9Very low36.6Very low94 Ų94122.5 Ų122.566%0.65776%0.76SS**  trans-128.445-165.3-58.20000116.5S239S237-S239 PolarHBondContact O-N 2.9Å
238N35.6Very low36Very low175 Ų175125.7 Ų125.794%0.93676%0.757SS**  trans-96.268.2165.2-7843.5000111.1
239S33.4Very low35.5Very low97 Ų97128.8 Ų128.868%0.67876%0.764SS**  trans-153.580.517165.40000113S237S237-S239 PolarHBondContact O-N 2.9Å
240S35.2Very low34.9Very low110 Ų110124.2 Ų124.277%0.76976%0.755SS**  trans39.1155.8147.162.60000123.5
241I35Very low34.3Very low171 Ų171127.4 Ų127.488%0.87777%0.766SS**  trans76.7119.8172.9-51.1175.5000112.9
242G35.8Very low33.9Very low68 Ų68126.7 Ų126.770%0.70177%0.772SS**  trans-127.3171.3-170.100000114.7
243T32.1Very low33.5Very low145 Ų145125.5 Ų125.589%0.8978%0.776SS**  trans-151.2147.4164.724.10000108.8
244M29.3Very low33.3Very low171 Ų171129 Ų12984%0.84279%0.794SS**  trans-132.3165.9174.9-86-72.9-8200107
245P48.8Very low33Very low110 Ų110129.4 Ų129.471%0.71480%0.797SS**  cis-142.7177.521.344.2-26.7000117.9
246S29Very low32.8Very low104 Ų104127.5 Ų127.573%0.72780%0.796SS**  trans74.5120.8140.4-161.50000122
247A29.3Very low32.7Very low103 Ų103128 Ų12885%0.85180%0.803SS**  trans-149.1157.1130.600000108.9
248K33.1Very low33Very low201 Ų201129.1 Ų129.187%0.87481%0.809SS**  trans-144109.4-164177.2-176.3175.5-179.60113.3
249I30.5Very low32.8Very low171 Ų171129.8 Ų129.888%0.87781%0.808SS**  trans-150.3142.8166.9-48.9177.6000105.8
250G29.9Very low32.7Very low63 Ų63131.2 Ų131.265%0.64982%0.818SS**  cis145.956.8-3.400000111.9
251D29.5Very low32.5Very low173 Ų173131.7 Ų131.793%0.92582%0.821SS**  trans-73.4140.1-170.4-57.7-46.6000113.5
252G30Very low32.4Very low66 Ų66128.4 Ų128.468%0.6882%0.82SS**  trans175.9100170.500000115.4
253S30.4Very low32.2Very low123 Ų123135 Ų13586%0.8683%0.829SS**  172.7134.3125-780000111.8
254T33.8Very low32.7Very low146 Ų146133.8 Ų133.890%0.89682%0.824SS**  trans-129126.1168.949.90000109.8
255S31.2Very low32.6Very low112 Ų112135 Ų13578%0.78383%0.83SS**  trans-161.8147.2170.2540000109.2
256S30.7Very low31.9Very low108 Ų108134.8 Ų134.876%0.75583%0.831SS**  cis-163.8135.4-18.344.70000108.5
257L34Very low31.9Very low176 Ų176135 Ų13592%0.92183%0.828SS**PPolyproline II helixtrans-100.5132.2174.9-70.2173000111.1
258P36.6Very low32Very low119 Ų119137.9 Ų137.977%0.77382%0.824SS**PPolyproline II helixtrans-95.9133.8159.533.8-27.5000111
259M31.4Very low31.7Very low188 Ų188134.3 Ų134.393%0.92682%0.819SS**PPolyproline II helixtrans-79.8151.6160.8-71.9160.949.200109.8
260S30.2Very low31.7Very low127 Ų127131.6 Ų131.689%0.88882%0.816SS**  trans-136.6151.4158.464.50000110.7
261S31.8Very low31.5Very low120 Ų120136.8 Ų136.884%0.83982%0.823SS**  trans-108.2138.1-167.754.10000112.4
262A32.8Very low32.1Very low103 Ų103133.4 Ų133.485%0.85181%0.811SS**  trans-78.8138.9179.500000113.8
263K32.4Very low32.2Very low206 Ų206138.9 Ų138.990%0.89682%0.818SS**  trans-157.3146.7144.8-112.2-179.8-178.9-177.70110
264P43.1Very low32.3Very low120 Ų120140.9 Ų140.978%0.77982%0.818SS**  trans-100.8159.1-170.138.3-35000114.2
265M27.3Very low33.1Very low196 Ų196139.1 Ų139.197%0.96681%0.809SS**  trans-151172.4157.4-128171.369.100110.1
266S33.5Very low33.1Very low105 Ų105140.6 Ų140.673%0.73481%0.809SS**  trans-127.6-175-155.4-163.50000115.1
267T29.1Very low33.4Very low109 Ų109141.4 Ų141.467%0.66981%0.809SS**  trans83.9104.9161.950.80000122.2
268Q30.7Very low34Very low163 Ų163138.8 Ų138.876%0.76280%0.802SS**  85.1137.3124.6-66-178.253.700123.1
269T26.6Very low33.9Very low127 Ų127141.8 Ų141.878%0.77981%0.806SS**  trans66135.7151.641.60000119
270S30.2Very low34.4Very low114 Ų114138.5 Ų138.580%0.79780%0.799SS**  cis-149.1167.17.3-72.20000113
271E27.3Very low34.7Very low171 Ų171139.3 Ų139.380%0.79979%0.793SS**  trans-68.9174.7162.7-109.6-152.5106.600113
272P42.1Very low35.2Very low103 Ų103143.1 Ų143.167%0.66980%0.797SS**  cis-140.4173.923.943.2-24.8000119.8
273Q30.3Very low35.5Very low180 Ų180143.3 Ų143.384%0.84179%0.793SS**  trans85.4131150.1-86.5176.7-31.800122.8
274L33.8Very low35.9Very low165 Ų165141.1 Ų141.186%0.86479%0.79SS**  trans-92.3175.8178.2-78.2164.6000111.6
275P49.7Very low36.1Very low109 Ų109141.7 Ų141.771%0.70878%0.782SS**  cis-122.8-161.59.741.2-22.6000112.4
276D31.5Very low37.1Very low143 Ų143140.6 Ų140.677%0.76578%0.78SS**  cis-157.8-166.313.5-155.1-87.6000110.7
277V37.9Very low38.1Very low125 Ų125141.3 Ų141.376%0.75877%0.77SS**  trans82.6137.7167.5-176.90000116.6
278P45.7Very low40.1Very low121 Ų121140.3 Ų140.379%0.78676%0.764SS**PPolyproline II helixtrans-90.9158.6-161.6-6.427.1000116
279E33.7Very low42Very low183 Ų183139 Ų13986%0.85576%0.761SS**PPolyproline II helixtrans-72.8148.7179-61.1-170.8155.200115.2
280P43.5Very low44.1Very low118 Ų118138.4 Ų138.477%0.76675%0.753SS**PPolyproline II helixtrans-88.3135.6148.734.9-27.8000110.7
281N36.4Very low46.2Very low144 Ų144137.6 Ų137.677%0.7774%0.737SS**PPolyproline II helixtrans-77.2127.2-172.957.2-32.1000114.5
282E41.3Very low48.6Very low200 Ų200136.6 Ų136.694%0.93573%0.73SS**PPolyproline II helixtrans-71.3136.4164.6-67.8-159134.500111.4
283S40.1Very low50.4Low108 Ų108136.9 Ų136.976%0.75572%0.722SS**  trans-15882.8173.6-176.90000110.9
284L41Very low53Low160 Ų160135.5 Ų135.584%0.83871%0.713SS**  trans-140.1132174.3-91.9171.2000112.8
285H46Very low55.4Low131 Ų131130.9 Ų130.961%0.60669%0.689SS**  trans6090.4161-82.469.5000118.8K287H285-K287 WeakPolarHBondContact NE2-CE 3.44Å
286N48.7Very low57.2Low173 Ų173130.6 Ų130.693%0.92568%0.679SS**  -117.7106.4126.4-86.5-42.3000108
287K53.8Low60Low120 Ų120128.9 Ų128.952%0.52267%0.666SS.*  trans-90.8130.2167.8-77-168.3171.2-169.40108.9H285 E291H285-K287 WeakPolarHBondContact NE2-CE 3.44Å; K287-E291 WeakPolarHBondContact CG-OE2 3.43Å
288T71.9Confident62.6Low89 Ų89127.5 Ų127.555%0.54665%0.65SS.*  trans-63.1146.6176.6-45.40000110.6D290 E291 F292T288-D290 HydrophobicContact CG2-CB 4.36Å; T288-D290 PolarHBondContact O-N 3.38Å; T288-D290 VanDerWaalsContact O-N 3.17Å; T288-E291 WeakPolarHBondContact O-CB 3.42Å; T288-E291 PolarHBondContact O-N 3.36Å; T288-F292 PolarHBondContact O-N 3.19Å
289I70.5Confident64.7Low135 Ų135124.7 Ų124.769%0.69263%0.632SS**Hα-helixtrans-53.6-38.1179.7-62.8172.5000111E291 F292 Q293I289-E291 VanDerWaalsContact C-N 3.29Å; I289-E291 PolarHBondContact O-N 3.22Å; I289-F292 WeakPolarHBondContact O-CB 3.4Å; I289-F292 PolarHBondContact O-N 3.1Å; I289-Q293 PolarHBondContact O-N 3.5Å
290D70.9Confident67.6Low114 Ų114119.1 Ų119.161%0.6161%0.609SS**Hα-helixtrans-57.9-34.9176.1-48.3-11.8000113.4T288 K294T288-D290 HydrophobicContact CG2-CB 4.36Å; T288-D290 PolarHBondContact O-N 3.38Å; T288-D290 VanDerWaalsContact O-N 3.17Å; D290-K294 WeakPolarHBondContact O-CB 3.36Å; D290-K294 PolarHBondContact O-N 3.46Å
291E73.9Confident69.9Low98 Ų98120.7 Ų120.746%0.45860%0.599SS.*Hα-helixtrans-68.9-39.5175.4-65.8-154.113300111.5K287 T288 I289 K294 D295K287-E291 WeakPolarHBondContact CG-OE2 3.43Å; T288-E291 WeakPolarHBondContact O-CB 3.42Å; T288-E291 PolarHBondContact O-N 3.36Å; I289-E291 VanDerWaalsContact C-N 3.29Å; I289-E291 PolarHBondContact O-N 3.22Å; E291-K294 PolarHBondContact O-N 2.94Å; E291-D295 PolarHBondContact O-N 2.95Å
292F77.9Confident72.6Confident150 Ų150118.8 Ų118.866%0.65859%0.588SS**Hα-helixtrans-64.9-45.4177.2-178.2-91000111T288 I289 K294 D295 Q296T288-F292 PolarHBondContact O-N 3.19Å; I289-F292 WeakPolarHBondContact O-CB 3.4Å; I289-F292 PolarHBondContact O-N 3.1Å; F292-K294 PolarHBondContact O-N 2.65Å; F292-D295 PolarHBondContact O-N 2.88Å; F292-Q296 WeakPolarHBondContact O-CB 3.47Å; F292-Q296 PolarHBondContact O-N 2.92Å
293Q80.3Confident75Confident108 Ų108115 Ų11551%0.50557%0.569SS.*Hα-helixtrans-61-43.3175.4-175.4170.2-13.900111.7I289 D295 Q296 E297I289-Q293 PolarHBondContact O-N 3.5Å; Q293-D295 PolarHBondContact O-N 3.22Å; Q293-Q296 WeakPolarHBondContact O-CB 3.42Å; Q293-Q296 PolarHBondContact O-N 3.09Å; Q293-Q296 VanDerWaalsContact O-N 3.17Å; Q293-E297 WeakPolarHBondContact O-CG 3.44Å; Q293-E297 PolarHBondContact O-N 3.25Å
294K85Confident77.6Confident151 Ų151112.8 Ų112.866%0.65756%0.557SS**Hα-helixtrans-65.3-36.1177.3-172.3175-173.3172.60113.4D290 E291 F292 K298D290-K294 WeakPolarHBondContact O-CB 3.36Å; D290-K294 PolarHBondContact O-N 3.46Å; E291-K294 PolarHBondContact O-N 2.94Å; F292-K294 PolarHBondContact O-N 2.65Å; K294-K298 WeakPolarHBondContact O-CB 3.4Å; K294-K298 PolarHBondContact O-N 2.94Å
295D83.1Confident80.1Confident68 Ų68112.9 Ų112.936%0.36455%0.546SS..Hα-helixtrans-73.5-31.1171.9-95.3-20.4000112.3E291 F292 Q293 K298 C299E291-D295 PolarHBondContact O-N 2.95Å; F292-D295 PolarHBondContact O-N 2.88Å; Q293-D295 PolarHBondContact O-N 3.22Å; D295-K298 WeakPolarHBondContact OD1-CD 3.3Å; D295-K298 WeakPolarHBondContact OD1-CE 3.45Å; D295-K298 IonicContact OD1-NZ 3.78Å; D295-K298 PolarHBondContact OD1-NZ 3.41Å; D295-C299 WeakPolarHBondContact O-CB 3.26Å; D295-C299 PolarHBondContact O-N 2.86Å
296Q87.8Confident82.3Confident103 Ų103112.8 Ų112.848%0.48154%0.544SS..Hα-helixtrans-65.4-52.7172.8-177.7174.9-10.400111.8F292 Q293 K298 C299 D300F292-Q296 WeakPolarHBondContact O-CB 3.47Å; F292-Q296 PolarHBondContact O-N 2.92Å; Q293-Q296 WeakPolarHBondContact O-CB 3.42Å; Q293-Q296 PolarHBondContact O-N 3.09Å; Q293-Q296 VanDerWaalsContact O-N 3.17Å; Q296-K298 PolarHBondContact O-N 2.89Å; Q296-C299 CarbonylContact O-C 3.52Å; Q296-C299 WeakPolarHBondContact O-CA 3.17Å; Q296-C299 VanDerWaalsContact O-CB 3.25Å; Q296-C299 WeakPolarHBondContact O-CB 3.5Å; Q296-C299 PolarHBondContact O-N 2.94Å; Q296-D300 PolarHBondContact O-N 3.08Å
297E90.5Very high84.5Confident107 Ų107107 Ų10750%0.552%0.521SS..Hα-helixtrans-56.9-38175.6-71.1175.2-169.600112.5Q293 R301Q293-E297 WeakPolarHBondContact O-CG 3.44Å; Q293-E297 PolarHBondContact O-N 3.25Å; E297-R301 VanDerWaalsContact O-CB 3.26Å; E297-R301 WeakPolarHBondContact O-CB 3.35Å; E297-R301 PolarHBondContact O-N 3.38Å; E297-R301 PolarHBondContact O-NH1 2.97Å
298K92.2Very high86.5Confident97 Ų97106.5 Ų106.542%0.42252%0.52SS..Hα-helixtrans-67.5-38.2174.5171.3178.6151.8-155.80111.7K294 D295 Q296 L302K294-K298 WeakPolarHBondContact O-CB 3.4Å; K294-K298 PolarHBondContact O-N 2.94Å; D295-K298 WeakPolarHBondContact OD1-CD 3.3Å; D295-K298 WeakPolarHBondContact OD1-CE 3.45Å; D295-K298 IonicContact OD1-NZ 3.78Å; D295-K298 PolarHBondContact OD1-NZ 3.41Å; Q296-K298 PolarHBondContact O-N 2.89Å; K298-L302 HydrophobicContact CG-CD1 4.46Å; K298-L302 WeakPolarHBondContact O-CB 3.32Å; K298-L302 WeakPolarHBondContact O-CD1 3.49Å; K298-L302 VanDerWaalsContact O-CG 3.22Å; K298-L302 WeakPolarHBondContact O-CG 3.46Å; K298-L302 PolarHBondContact O-N 2.93Å; K298-L302 VanDerWaalsContact O-N 3.13Å
299C91.3Very high87.5Confident61 Ų61106.8 Ų106.841%0.41252%0.518SS..Hα-helixtrans-63.5-47.9172.7-164.80000111.1D295 Q296 L302 K303D295-C299 WeakPolarHBondContact O-CB 3.26Å; D295-C299 PolarHBondContact O-N 2.86Å; Q296-C299 CarbonylContact O-C 3.52Å; Q296-C299 WeakPolarHBondContact O-CA 3.17Å; Q296-C299 VanDerWaalsContact O-CB 3.25Å; Q296-C299 WeakPolarHBondContact O-CB 3.5Å; Q296-C299 PolarHBondContact O-N 2.94Å; C299-L302 CarbonylContact O-C 3.59Å; C299-L302 WeakPolarHBondContact O-CA 3.47Å; C299-L302 WeakPolarHBondContact O-CB 3.41Å; C299-L302 PolarHBondContact O-N 3.17Å; C299-L302 VanDerWaalsContact O-N 3.08Å; C299-K303 WeakPolarHBondContact O-CG 3.49Å; C299-K303 PolarHBondContact O-N 3.08Å; C299-K303 VanDerWaalsContact SG-CE 3.52Å
300D92.8Very high88.5Confident67 Ų67104.4 Ų104.436%0.35850%0.503SS..Hα-helixtrans-68.9-37.7-177.8-67.9-33.9000112.5Q296 L302 K303 A304Q296-D300 PolarHBondContact O-N 3.08Å; D300-L302 VanDerWaalsContact C-N 3.27Å; D300-L302 PolarHBondContact O-N 3.13Å; D300-K303 PolarHBondContact O-N 2.99Å; D300-K303 WeakPolarHBondContact OD1-CD 3.27Å; D300-K303 WeakPolarHBondContact OD1-CE 3.24Å; D300-K303 IonicContact OD1-NZ 3.41Å; D300-K303 PolarHBondContact OD1-NZ 3.29Å; D300-A304 WeakPolarHBondContact O-CB 3.48Å; D300-A304 PolarHBondContact O-N 2.87Å
301R93.3Very high89.6Confident151 Ų151105.4 Ų105.457%0.5751%0.506SS*.Hα-helixtrans-59.8-35.3168.6-178.4168.562-102.15.7112.7E297 R305E297-R301 VanDerWaalsContact O-CB 3.26Å; E297-R301 WeakPolarHBondContact O-CB 3.35Å; E297-R301 PolarHBondContact O-N 3.38Å; E297-R301 PolarHBondContact O-NH1 2.97Å; R301-R305 WeakPolarHBondContact O-CB 3.47Å; R301-R305 PolarHBondContact O-N 2.83Å; R301-R305 VanDerWaalsContact O-N 3.1Å
302L91.6Very high90.5Very high104 Ų104107.9 Ų107.955%0.54551%0.512SS..Hα-helixtrans-74.9-36.3175.1-72.3168.5000112.4K298 C299 D300 R305 K306K298-L302 HydrophobicContact CG-CD1 4.46Å; K298-L302 WeakPolarHBondContact O-CB 3.32Å; K298-L302 WeakPolarHBondContact O-CD1 3.49Å; K298-L302 VanDerWaalsContact O-CG 3.22Å; K298-L302 WeakPolarHBondContact O-CG 3.46Å; K298-L302 PolarHBondContact O-N 2.93Å; K298-L302 VanDerWaalsContact O-N 3.13Å; C299-L302 CarbonylContact O-C 3.59Å; C299-L302 WeakPolarHBondContact O-CA 3.47Å; C299-L302 WeakPolarHBondContact O-CB 3.41Å; C299-L302 PolarHBondContact O-N 3.17Å; C299-L302 VanDerWaalsContact O-N 3.08Å; D300-L302 VanDerWaalsContact C-N 3.27Å; D300-L302 PolarHBondContact O-N 3.13Å; L302-R305 PolarHBondContact O-N 2.87Å; L302-K306 WeakPolarHBondContact O-CB 3.46Å; L302-K306 PolarHBondContact O-N 3.32Å
303K92.6Very high91.1Very high120 Ų120106 Ų10652%0.52251%0.507SS..Hα-helixtrans-61.2-47.3171.3-66.5171.1-161.4162.50111.1C299 D300 K306 A307C299-K303 WeakPolarHBondContact O-CG 3.49Å; C299-K303 PolarHBondContact O-N 3.08Å; C299-K303 VanDerWaalsContact SG-CE 3.52Å; D300-K303 PolarHBondContact O-N 2.99Å; D300-K303 WeakPolarHBondContact OD1-CD 3.27Å; D300-K303 WeakPolarHBondContact OD1-CE 3.24Å; D300-K303 IonicContact OD1-NZ 3.41Å; D300-K303 PolarHBondContact OD1-NZ 3.29Å; K303-K306 WeakPolarHBondContact O-CB 3.48Å; K303-K306 PolarHBondContact O-N 2.83Å; K303-A307 PolarHBondContact O-N 2.82Å
304A94.6Very high91.6Very high62 Ų62109.5 Ų109.551%0.51252%0.516SS..Hα-helixtrans-59.4-48.4177.100000111.7D300 K306 A307 E308D300-A304 WeakPolarHBondContact O-CB 3.48Å; D300-A304 PolarHBondContact O-N 2.87Å; A304-K306 VanDerWaalsContact C-N 3.31Å; A304-K306 PolarHBondContact O-N 3.41Å; A304-A307 PolarHBondContact O-N 3.28Å; A304-E308 PolarHBondContact O-N 2.84Å
305R93.6Very high91.9Very high162 Ų162108.3 Ų108.361%0.61151%0.513SS*.Hα-helixtrans-63.4-34.1176.4-170.7175.9-178.4-177.10.8112.9R301 L302 L309R301-R305 WeakPolarHBondContact O-CB 3.47Å; R301-R305 PolarHBondContact O-N 2.83Å; R301-R305 VanDerWaalsContact O-N 3.1Å; L302-R305 PolarHBondContact O-N 2.87Å; R305-L309 HydrophobicContact CG-CD1 4.25Å; R305-L309 WeakPolarHBondContact O-CB 3.49Å; R305-L309 VanDerWaalsContact O-CG 3.27Å; R305-L309 WeakPolarHBondContact O-CG 3.46Å; R305-L309 PolarHBondContact O-N 3.41Å; R305-L309 VanDerWaalsContact O-N 3.09Å
306K93.1Very high92.4Very high129 Ų129110.3 Ų110.356%0.56152%0.518SS*.Hα-helixtrans-62.4-49.3172.3178.3-176.8166.9-177.90110.7L302 K303 A304 E308 L309 E310L302-K306 WeakPolarHBondContact O-CB 3.46Å; L302-K306 PolarHBondContact O-N 3.32Å; K303-K306 WeakPolarHBondContact O-CB 3.48Å; K303-K306 PolarHBondContact O-N 2.83Å; A304-K306 VanDerWaalsContact C-N 3.31Å; A304-K306 PolarHBondContact O-N 3.41Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 2.92Å; K306-L309 PolarHBondContact O-N 3.26Å; K306-E310 WeakPolarHBondContact CE-OE1 3.33Å; K306-E310 HydrophobicContact CG-CG 4.47Å; K306-E310 IonicContact NZ-OE1 3.32Å; K306-E310 PolarHBondContact NZ-OE1 3.32Å; K306-E310 WeakPolarHBondContact O-CG 3.36Å; K306-E310 PolarHBondContact O-N 3.44Å
307A93.8Very high92.4Very high52 Ų52108.5 Ų108.543%0.4351%0.511SS..Hα-helixtrans-62.7-38.9179.700000112.6K303 A304 E310 M311K303-A307 PolarHBondContact O-N 2.82Å; A304-A307 PolarHBondContact O-N 3.28Å; A307-E310 PolarHBondContact O-N 2.99Å; A307-M311 WeakPolarHBondContact O-CB 3.27Å; A307-M311 PolarHBondContact O-N 3.41Å
308E95.5Very high92.3Very high108 Ų108107.8 Ų107.851%0.50551%0.507SS..Hα-helixtrans-59.1-47.2172.6-169.4-154.1151.800111.6A304 K306 M311 R312A304-E308 PolarHBondContact O-N 2.84Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 2.92Å; E308-M311 PolarHBondContact O-N 2.99Å; E308-R312 WeakPolarHBondContact O-CB 3.19Å; E308-R312 PolarHBondContact O-N 2.86Å
309L92.6Very high92.2Very high95 Ų95107.4 Ų107.450%0.49751%0.507SS..Hα-helixtrans-66.9-38.7179.2-71.1169.9000112.4R305 K306 R312 L313R305-L309 HydrophobicContact CG-CD1 4.25Å; R305-L309 WeakPolarHBondContact O-CB 3.49Å; R305-L309 VanDerWaalsContact O-CG 3.27Å; R305-L309 WeakPolarHBondContact O-CG 3.46Å; R305-L309 PolarHBondContact O-N 3.41Å; R305-L309 VanDerWaalsContact O-N 3.09Å; K306-L309 PolarHBondContact O-N 3.26Å; L309-R312 PolarHBondContact O-N 3.35Å; L309-L313 WeakPolarHBondContact O-CB 3.32Å; L309-L313 PolarHBondContact O-N 3.3Å
310E91.6Very high92.1Very high85 Ų85107.6 Ų107.640%0.39750%0.504SS..Hα-helixtrans-66-39.4174.5-73.4179165.400112K306 A307 L313 R314K306-E310 WeakPolarHBondContact CE-OE1 3.33Å; K306-E310 HydrophobicContact CG-CG 4.47Å; K306-E310 IonicContact NZ-OE1 3.32Å; K306-E310 PolarHBondContact NZ-OE1 3.32Å; K306-E310 WeakPolarHBondContact O-CG 3.36Å; K306-E310 PolarHBondContact O-N 3.44Å; A307-E310 PolarHBondContact O-N 2.99Å; E310-L313 PolarHBondContact O-N 3.06Å; E310-R314 WeakPolarHBondContact O-CG 3.31Å; E310-R314 PolarHBondContact O-N 3.47Å
311M93.9Very high91.9Very high136 Ų136106.9 Ų106.967%0.6750%0.497SS*.Hα-helixtrans-63.6-46.1173.5-172.3-171.8-59.400111.3A307 E308 L313 R314 Q315A307-M311 WeakPolarHBondContact O-CB 3.27Å; A307-M311 PolarHBondContact O-N 3.41Å; E308-M311 PolarHBondContact O-N 2.99Å; M311-L313 VanDerWaalsContact C-N 3.33Å; M311-L313 PolarHBondContact O-N 3.17Å; M311-R314 PolarHBondContact O-N 3.48Å; M311-Q315 PolarHBondContact O-N 3.5Å
312R93Very high91.6Very high150 Ų150103.9 Ų103.957%0.56649%0.493SS*.Hα-helixtrans-65.9-33.9178.7-164.4177.2-167.8122.35112.6E308 L309 K316E308-R312 WeakPolarHBondContact O-CB 3.19Å; E308-R312 PolarHBondContact O-N 2.86Å; L309-R312 PolarHBondContact O-N 3.35Å; R312-K316 PolarHBondContact O-N 3.39Å
313L92Very high91.5Very high109 Ų109102.6 Ų102.657%0.57149%0.489SS*.Hα-helixtrans-64.2-49.9171.7178.460000110.8L309 E310 M311 Q315 K316 M317L309-L313 WeakPolarHBondContact O-CB 3.32Å; L309-L313 PolarHBondContact O-N 3.3Å; E310-L313 PolarHBondContact O-N 3.06Å; M311-L313 VanDerWaalsContact C-N 3.33Å; M311-L313 PolarHBondContact O-N 3.17Å; L313-Q315 VanDerWaalsContact C-N 3.29Å; L313-Q315 PolarHBondContact O-N 2.91Å; L313-K316 PolarHBondContact O-N 2.99Å; L313-M317 HydrophobicContact CD1-CG 4.34Å; L313-M317 WeakPolarHBondContact O-CG 3.39Å; L313-M317 PolarHBondContact O-N 2.9Å
314R89.1Confident91.2Very high182 Ų18297 Ų9769%0.68747%0.465SS*.Hα-helixtrans-58-41.3176.4-70173.7-170.51676.5112.2E310 M311 K316 M317 Q318E310-R314 WeakPolarHBondContact O-CG 3.31Å; E310-R314 PolarHBondContact O-N 3.47Å; M311-R314 PolarHBondContact O-N 3.48Å; R314-K316 PolarHBondContact O-N 2.65Å; R314-M317 PolarHBondContact O-N 2.88Å; R314-Q318 PolarHBondContact O-N 3.32Å
315Q92.8Very high90.8Very high127 Ų12795.7 Ų95.759%0.59345%0.451SS*.Hα-helixtrans-59.2-45.2174-172.5-177.820.100111.7M311 L313 Q318 E319M311-Q315 PolarHBondContact O-N 3.5Å; L313-Q315 VanDerWaalsContact C-N 3.29Å; L313-Q315 PolarHBondContact O-N 2.91Å; Q315-Q318 PolarHBondContact O-N 3.22Å; Q315-E319 WeakPolarHBondContact O-CB 3.48Å; Q315-E319 PolarHBondContact O-N 3.48Å
316K93.1Very high90.3Very high109 Ų10994.1 Ų94.147%0.47445%0.45SS..Hα-helixtrans-70.5-31.1178.5-79-69.3175.6-159.10114R312 L313 R314 E319 L320R312-K316 PolarHBondContact O-N 3.39Å; L313-K316 PolarHBondContact O-N 2.99Å; R314-K316 PolarHBondContact O-N 2.65Å; K316-E319 WeakPolarHBondContact CD-OE2 3.48Å; K316-E319 WeakPolarHBondContact CE-OE2 3.49Å; K316-E319 IonicContact NZ-OE1 3.32Å; K316-E319 PolarHBondContact NZ-OE1 3.28Å; K316-E319 IonicContact NZ-OE2 3.84Å; K316-E319 PolarHBondContact NZ-OE2 3Å; K316-L320 WeakPolarHBondContact O-CB 3.43Å; K316-L320 PolarHBondContact O-N 2.81Å
317M87.9Confident89.9Confident66 Ų6692.6 Ų92.633%0.32545%0.445SS..Hα-helixtrans-65.5-43.8170.6-65.2-56.5-72.300111.1L313 R314 L320 K321 D340 V341L313-M317 HydrophobicContact CD1-CG 4.34Å; L313-M317 WeakPolarHBondContact O-CG 3.39Å; L313-M317 PolarHBondContact O-N 2.9Å; R314-M317 PolarHBondContact O-N 2.88Å; M317-L320 PolarHBondContact O-N 2.99Å; M317-K321 PolarHBondContact O-N 2.66Å; M317-D340 WeakPolarHBondContact CE-O 3.44Å; M317-V341 HydrophobicContact CB-CG1 4.48Å; M317-V341 HydrophobicContact CE-CB 4.32Å; M317-V341 HydrophobicContact CE-CG2 3.83Å; M317-V341 WeakPolarHBondContact O-CG1 3.47Å
318Q87.8Confident89.4Confident91 Ų9190.1 Ų90.143%0.42543%0.425SS..Hα-helixtrans-64.6-43.4176.2-177.955.446.500112R314 Q315 L320 K321 D322R314-Q318 PolarHBondContact O-N 3.32Å; Q315-Q318 PolarHBondContact O-N 3.22Å; Q318-L320 VanDerWaalsContact C-N 3.29Å; Q318-L320 PolarHBondContact O-N 2.9Å; Q318-K321 WeakPolarHBondContact O-CA 3.19Å; Q318-K321 WeakPolarHBondContact O-CB 3.05Å; Q318-K321 PolarHBondContact O-N 2.76Å; Q318-D322 PolarHBondContact NE2-OD1 2.81Å; Q318-D322 PolarHBondContact NE2-OD2 2.68Å; Q318-D322 PolarHBondContact O-N 3.17Å
319E91.6Very high88.7Confident90 Ų9086.5 Ų86.542%0.42141%0.409SS..Hα-helixtrans-57.9-40174.4-171.1-177.2136.800112Q315 K316 D322 V323Q315-E319 WeakPolarHBondContact O-CB 3.48Å; Q315-E319 PolarHBondContact O-N 3.48Å; K316-E319 WeakPolarHBondContact CD-OE2 3.48Å; K316-E319 WeakPolarHBondContact CE-OE2 3.49Å; K316-E319 IonicContact NZ-OE1 3.32Å; K316-E319 PolarHBondContact NZ-OE1 3.28Å; K316-E319 IonicContact NZ-OE2 3.84Å; K316-E319 PolarHBondContact NZ-OE2 3Å; E319-D322 PolarHBondContact O-N 3.04Å; E319-V323 VanDerWaalsContact O-CG2 3.31Å; E319-V323 WeakPolarHBondContact O-CG2 3.45Å; E319-V323 PolarHBondContact O-N 3.23Å
320L88.4Confident87.8Confident64 Ų6487.3 Ų87.334%0.33541%0.412SS..Hα-helixtrans-65.7-40.5172.8-178.160.2000112K316 M317 Q318 D322 V323 C324 E337 V341K316-L320 WeakPolarHBondContact O-CB 3.43Å; K316-L320 PolarHBondContact O-N 2.81Å; M317-L320 PolarHBondContact O-N 2.99Å; Q318-L320 VanDerWaalsContact C-N 3.29Å; Q318-L320 PolarHBondContact O-N 2.9Å; L320-D322 VanDerWaalsContact C-N 3.3Å; L320-D322 PolarHBondContact O-N 3.41Å; L320-V323 PolarHBondContact O-N 3.28Å; L320-C324 WeakPolarHBondContact O-CB 3.34Å; L320-C324 PolarHBondContact O-N 2.87Å; L320-C324 PolarHBondContact O-SG 3.27Å; L320-E337 HydrophobicContact CD1-CB 4.5Å; L320-V341 HydrophobicContact CB-CG2 4.31Å; L320-V341 HydrophobicContact CD2-CG2 3.7Å; L320-V341 HydrophobicContact CG-CG2 3.92Å
321K87.6Confident87Confident52 Ų5287.2 Ų87.223%0.22642%0.417CS..Hα-helixtrans-54.4-48.8174.6-152.5173.2-174.7161.90111.2M317 Q318 C324 V325 I338 V341M317-K321 PolarHBondContact O-N 2.66Å; Q318-K321 WeakPolarHBondContact O-CA 3.19Å; Q318-K321 WeakPolarHBondContact O-CB 3.05Å; Q318-K321 PolarHBondContact O-N 2.76Å; K321-C324 PolarHBondContact O-N 3.02Å; K321-V325 WeakPolarHBondContact O-CG2 3.14Å; K321-V325 PolarHBondContact O-N 3.14Å; K321-V325 VanDerWaalsContact O-N 3.15Å; K321-I338 HydrophobicContact CG-CD1 3.95Å; K321-V341 HydrophobicContact CB-CG1 3.58Å; K321-V341 HydrophobicContact CD-CG1 4.05Å; K321-V341 HydrophobicContact CG-CG1 3.79Å
322D88.1Confident85.8Confident89 Ų8981.4 Ų81.448%0.47639%0.392SS..Hα-helixtrans-70.8-39.4-175-63-35.1000111.3Q318 E319 L320 V325 E326Q318-D322 PolarHBondContact NE2-OD1 2.81Å; Q318-D322 PolarHBondContact NE2-OD2 2.68Å; Q318-D322 PolarHBondContact O-N 3.17Å; E319-D322 PolarHBondContact O-N 3.04Å; L320-D322 VanDerWaalsContact C-N 3.3Å; L320-D322 PolarHBondContact O-N 3.41Å; D322-V325 PolarHBondContact O-N 2.87Å; D322-E326 PolarHBondContact O-N 3.44Å
323V88.8Confident85.1Confident76 Ų7681.7 Ų81.746%0.46140%0.4SS..Hα-helixtrans-64.2-44173.5169.50000112.1E319 L320 V325 E326 E327E319-V323 VanDerWaalsContact O-CG2 3.31Å; E319-V323 WeakPolarHBondContact O-CG2 3.45Å; E319-V323 PolarHBondContact O-N 3.23Å; L320-V323 PolarHBondContact O-N 3.28Å; V323-V325 VanDerWaalsContact C-N 3.27Å; V323-V325 PolarHBondContact O-N 3.08Å; V323-E326 PolarHBondContact O-N 3.41Å; V323-E327 WeakPolarHBondContact O-CB 3.31Å; V323-E327 PolarHBondContact O-N 3.05Å
324C86.8Confident84.5Confident3 Ų378.4 Ų78.42%0.0238%0.383CS..Hα-helixtrans-63.2-33.9177.4-70.30000112.4L320 K321 G328 P335 I338L320-C324 WeakPolarHBondContact O-CB 3.34Å; L320-C324 PolarHBondContact O-N 2.87Å; L320-C324 PolarHBondContact O-SG 3.27Å; K321-C324 PolarHBondContact O-N 3.02Å; C324-G328 PolarHBondContact O-N 3.29Å; C324-P335 HydrophobicContact CB-CB 4.38Å; C324-P335 HydrophobicContact CB-CG 4.28Å; C324-P335 VanDerWaalsContact O-CD 3.31Å; C324-P335 WeakPolarHBondContact O-CD 3.34Å; C324-I338 HydrophobicContact CB-CB 4.28Å; C324-I338 HydrophobicContact CB-CD1 3.95Å
325V85.3Confident84.2Confident35 Ų3570.6 Ų70.621%0.21236%0.355CS..Hα-helixtrans-71.7-41.5174.1172.20000111.7K321 D322 V323 G328 D329 P349K321-V325 WeakPolarHBondContact O-CG2 3.14Å; K321-V325 PolarHBondContact O-N 3.14Å; K321-V325 VanDerWaalsContact O-N 3.15Å; D322-V325 PolarHBondContact O-N 2.87Å; V323-V325 VanDerWaalsContact C-N 3.27Å; V323-V325 PolarHBondContact O-N 3.08Å; V325-G328 PolarHBondContact O-N 3.41Å; V325-D329 WeakPolarHBondContact O-CB 3.13Å; V325-D329 PolarHBondContact O-N 3.15Å; V325-P349 HydrophobicContact CG2-CB 3.61Å; V325-P349 HydrophobicContact CG2-CG 4.02Å
326E83.3Confident83.6Confident128 Ų12869.5 Ų69.560%0.59836%0.357SS*.Hα-helixtrans-63.4-44.3174.8-176.4173.9-171.700111.7D322 V323 D329 I330D322-E326 PolarHBondContact O-N 3.44Å; V323-E326 PolarHBondContact O-N 3.41Å; E326-D329 PolarHBondContact O-N 2.96Å; E326-I330 HydrophobicContact CG-CD1 4.06Å; E326-I330 WeakPolarHBondContact O-CD1 3.28Å; E326-I330 VanDerWaalsContact O-CG1 3.31Å; E326-I330 WeakPolarHBondContact O-CG1 3.48Å; E326-I330 PolarHBondContact O-N 3.22Å
327E84.8Confident83.2Confident98 Ų9868.5 Ų68.546%0.45835%0.354SS..Hα-helixtrans-61.5-47.1175.4-178.3167.5-163.900111.1V323 D329 I330 T331 P335V323-E327 WeakPolarHBondContact O-CB 3.31Å; V323-E327 PolarHBondContact O-N 3.05Å; E327-D329 VanDerWaalsContact C-N 3.32Å; E327-D329 PolarHBondContact O-N 3.43Å; E327-I330 CarbonylContact O-C 3.52Å; E327-I330 WeakPolarHBondContact O-CA 3.45Å; E327-I330 WeakPolarHBondContact O-CB 3.45Å; E327-I330 PolarHBondContact O-N 3.44Å; E327-T331 HydrophobicContact CG-CG2 3.93Å; E327-T331 WeakPolarHBondContact O-CG2 3.36Å; E327-T331 PolarHBondContact O-N 3.21Å; E327-T331 PolarHBondContact O-OG1 2.9Å; E327-T331 VanDerWaalsContact O-OG1 3.09Å; E327-P335 HydrophobicContact CB-CG 3.97Å; E327-P335 HydrophobicContact CG-CG 3.88Å
328G83.2Confident82.9Confident0 Ų065.3 Ų65.30%034%0.339CS..Hα-helixtrans-62.2-33.4176.600000114.3C324 V325 I330 G332 E333C324-G328 PolarHBondContact O-N 3.29Å; V325-G328 PolarHBondContact O-N 3.41Å; G328-I330 VanDerWaalsContact C-N 3.25Å; G328-I330 PolarHBondContact O-N 2.92Å; G328-G332 VanDerWaalsContact O-CA 3.27Å; G328-G332 WeakPolarHBondContact O-CA 3.35Å; G328-G332 PolarHBondContact O-N 3.49Å; G328-E333 WeakPolarHBondContact CA-O 3.41Å
329D80.8Confident82.4Confident32 Ų3265.9 Ų65.917%0.17134%0.344CS..Hα-helixtrans-68.4-24.6173-86.56000112.1V325 E326 E327 L351 K352V325-D329 WeakPolarHBondContact O-CB 3.13Å; V325-D329 PolarHBondContact O-N 3.15Å; E326-D329 PolarHBondContact O-N 2.96Å; E327-D329 VanDerWaalsContact C-N 3.32Å; E327-D329 PolarHBondContact O-N 3.43Å; D329-L351 WeakPolarHBondContact OD1-CA 3.42Å; D329-K352 PolarHBondContact OD1-N 3.34Å; D329-K352 IonicContact OD2-NZ 3.65Å
330I75.1Confident81.8Confident111 Ų11167.6 Ų67.657%0.56936%0.356SS*.Hα-helixtrans-88.2-47.8177.8-67.6165.7000112.2E326 E327 G328E326-I330 HydrophobicContact CG-CD1 4.06Å; E326-I330 WeakPolarHBondContact O-CD1 3.28Å; E326-I330 VanDerWaalsContact O-CG1 3.31Å; E326-I330 WeakPolarHBondContact O-CG1 3.48Å; E326-I330 PolarHBondContact O-N 3.22Å; E327-I330 CarbonylContact O-C 3.52Å; E327-I330 WeakPolarHBondContact O-CA 3.45Å; E327-I330 WeakPolarHBondContact O-CB 3.45Å; E327-I330 PolarHBondContact O-N 3.44Å; G328-I330 VanDerWaalsContact C-N 3.25Å; G328-I330 PolarHBondContact O-N 2.92Å
331T73.6Confident81.3Confident83 Ų8365.4 Ų65.451%0.50935%0.346SS..Hα-helixtrans-79.2-34.2-177.560.80000112.2E327 E333E327-T331 HydrophobicContact CG-CG2 3.93Å; E327-T331 WeakPolarHBondContact O-CG2 3.36Å; E327-T331 PolarHBondContact O-N 3.21Å; E327-T331 PolarHBondContact O-OG1 2.9Å; E327-T331 VanDerWaalsContact O-OG1 3.09Å; T331-E333 PolarHBondContact OG1-N 3.46Å; T331-E333 PolarHBondContact OG1-O 2.84Å
332G69.9Low80.6Confident14 Ų1464 Ų6414%0.14434%0.342CS..SBendtrans86.63-171.500000114.9G328 R353G328-G332 VanDerWaalsContact O-CA 3.27Å; G328-G332 WeakPolarHBondContact O-CA 3.35Å; G328-G332 PolarHBondContact O-N 3.49Å; G332-R353 PolarHBondContact O-NH1 3.08Å
333E76.7Confident79.7Confident157 Ų15765.4 Ų65.473%0.73435%0.349SS*.SBendtrans-133.5137.8176.9-66.3-176.5175.600109.3G328 T331G328-E333 WeakPolarHBondContact CA-O 3.41Å; T331-E333 PolarHBondContact OG1-N 3.46Å; T331-E333 PolarHBondContact OG1-O 2.84Å
334M80Confident77.7Confident40 Ų4068.6 Ų68.620%0.19737%0.371CS..  trans-78.6131.6-173.4-170.670.981.500111.2I338 F348 P349 L351M334-I338 HydrophobicContact CG-CB 4.14Å; M334-I338 HydrophobicContact CG-CG1 4.42Å; M334-I338 HydrophobicContact CG-CG2 3.68Å; M334-I338 HydrophobicContact SD-CB 4.44Å; M334-I338 HydrophobicContact SD-CG1 4.28Å; M334-F348 HydrophobicContact CB-CE1 4.2Å; M334-F348 HydrophobicContact CB-CZ 4.42Å; M334-F348 HydrophobicContact CE-CD1 4.24Å; M334-F348 HydrophobicContact CE-CE1 3.72Å; M334-F348 HydrophobicContact CG-CE1 3.82Å; M334-F348 HydrophobicContact CG-CZ 3.86Å; M334-P349 HydrophobicContact CE-CB 3.85Å; M334-P349 HydrophobicContact CE-CG 4.46Å; M334-P349 WeakPolarHBondContact CE-O 3.31Å; M334-L351 HydrophobicContact CB-CD1 4.24Å; M334-L351 HydrophobicContact CE-CD2 3.4Å; M334-L351 HydrophobicContact CE-CG 3.91Å; M334-L351 HydrophobicContact SD-CD2 3.83Å
335P82.8Confident76.2Confident17 Ų1772.3 Ų72.311%0.1141%0.41CS..  trans-56.9151.2171.3-25.435.9000112.7C324 E327 E337 I338C324-P335 HydrophobicContact CB-CB 4.38Å; C324-P335 HydrophobicContact CB-CG 4.28Å; C324-P335 VanDerWaalsContact O-CD 3.31Å; C324-P335 WeakPolarHBondContact O-CD 3.34Å; E327-P335 HydrophobicContact CB-CG 3.97Å; E327-P335 HydrophobicContact CG-CG 3.88Å; P335-E337 VanDerWaalsContact C-N 3.29Å; P335-E337 VanDerWaalsContact CB-OE2 3.3Å; P335-E337 WeakPolarHBondContact CB-OE2 3.29Å; P335-E337 PolarHBondContact O-N 3.3Å; P335-I338 VanDerWaalsContact O-CG2 3.22Å; P335-I338 WeakPolarHBondContact O-CG2 3.48Å
336V80.4Confident75.3Confident105 Ų10574.3 Ų74.364%0.63642%0.419SS*.G310 helixtrans-74.8-23.5-175.9-64.60000112.5I338 N339V336-I338 PolarHBondContact O-N 3.41Å; V336-N339 WeakPolarHBondContact O-CB 3.38Å; V336-N339 PolarHBondContact O-N 3.16Å; V336-N339 PolarHBondContact O-ND2 3.39Å
337E84.3Confident74.1Confident87 Ų8774.1 Ų74.141%0.40742%0.422SS..G310 helixtrans-63-21179.8-65.474.5-169.700112.5L320 P335 N339 D340L320-E337 HydrophobicContact CD1-CB 4.5Å; P335-E337 VanDerWaalsContact C-N 3.29Å; P335-E337 VanDerWaalsContact CB-OE2 3.3Å; P335-E337 WeakPolarHBondContact CB-OE2 3.29Å; P335-E337 PolarHBondContact O-N 3.3Å; E337-N339 PolarHBondContact O-N 3.28Å; E337-D340 PolarHBondContact O-N 3.09Å
338I82.2Confident72.9Confident0 Ų073.9 Ų73.90%042%0.42CS..G310 helixtrans-60.1-28.3175.3-162.560.5000112.5K321 C324 M334 P335 V336 D340 V341 V342 F348 P349K321-I338 HydrophobicContact CG-CD1 3.95Å; C324-I338 HydrophobicContact CB-CB 4.28Å; C324-I338 HydrophobicContact CB-CD1 3.95Å; M334-I338 HydrophobicContact CG-CB 4.14Å; M334-I338 HydrophobicContact CG-CG1 4.42Å; M334-I338 HydrophobicContact CG-CG2 3.68Å; M334-I338 HydrophobicContact SD-CB 4.44Å; M334-I338 HydrophobicContact SD-CG1 4.28Å; P335-I338 VanDerWaalsContact O-CG2 3.22Å; P335-I338 WeakPolarHBondContact O-CG2 3.48Å; V336-I338 PolarHBondContact O-N 3.41Å; I338-D340 PolarHBondContact O-N 3.46Å; I338-V341 PolarHBondContact O-N 3.48Å; I338-V341 VanDerWaalsContact O-N 3.08Å; I338-V342 HydrophobicContact CD1-CG2 4.14Å; I338-V342 HydrophobicContact CG1-CG2 3.85Å; I338-V342 WeakPolarHBondContact O-CG2 3.45Å; I338-V342 PolarHBondContact O-N 2.87Å; I338-F348 HydrophobicContact CG2-CE2 3.83Å; I338-F348 HydrophobicContact CG2-CZ 3.58Å; I338-P349 HydrophobicContact CD1-CG 4.29Å; I338-P349 HydrophobicContact CG1-CG 4.46Å
339N77.6Confident72.3Confident102 Ų10275.3 Ų75.355%0.54543%0.429SS..G310 helixtrans-71.5-20.7-177.4-61.2-73.6000112.4V336 E337 V341V336-N339 WeakPolarHBondContact O-CB 3.38Å; V336-N339 PolarHBondContact O-N 3.16Å; V336-N339 PolarHBondContact O-ND2 3.39Å; E337-N339 PolarHBondContact O-N 3.28Å; N339-V341 VanDerWaalsContact C-N 3.26Å
340D77.6Confident71.5Confident126 Ų12682.7 Ų82.767%0.67445%0.454SS*.G310 helixtrans-80.7-10.6173.4-61.1-43.8000112.1M317 E337 I338M317-D340 WeakPolarHBondContact CE-O 3.44Å; E337-D340 PolarHBondContact O-N 3.09Å; I338-D340 PolarHBondContact O-N 3.46Å
341V78.7Confident71.3Confident19 Ų1979.6 Ų79.612%0.11544%0.438CS..THydrogen-bonded Turntrans-117.6-24-169-169.50000113.2M317 L320 K321 I338 N339M317-V341 HydrophobicContact CB-CG1 4.48Å; M317-V341 HydrophobicContact CE-CB 4.32Å; M317-V341 HydrophobicContact CE-CG2 3.83Å; M317-V341 WeakPolarHBondContact O-CG1 3.47Å; L320-V341 HydrophobicContact CB-CG2 4.31Å; L320-V341 HydrophobicContact CD2-CG2 3.7Å; L320-V341 HydrophobicContact CG-CG2 3.92Å; K321-V341 HydrophobicContact CB-CG1 3.58Å; K321-V341 HydrophobicContact CD-CG1 4.05Å; K321-V341 HydrophobicContact CG-CG1 3.79Å; I338-V341 PolarHBondContact O-N 3.48Å; I338-V341 VanDerWaalsContact O-N 3.08Å; N339-V341 VanDerWaalsContact C-N 3.26Å
342V72.8Confident70.8Confident23 Ų2382.6 Ų82.614%0.13944%0.444CS..SBendtrans-89.9123.8174.7174.40000108.8I338 D346I338-V342 HydrophobicContact CD1-CG2 4.14Å; I338-V342 HydrophobicContact CG1-CG2 3.85Å; I338-V342 WeakPolarHBondContact O-CG2 3.45Å; I338-V342 PolarHBondContact O-N 2.87Å; V342-D346 HydrophobicContact CG1-CB 3.67Å
343L68.8Low70.5Confident118 Ų11889.8 Ų89.862%0.61847%0.467SS*.  trans-69.9150.2-179.4-66.6169.1000110.9G345 D346L343-G345 PolarHBondContact O-N 3.46Å; L343-D346 PolarHBondContact N-OD2 3.47Å; L343-D346 PolarHBondContact O-N 2.87Å
344P47.2Very low69.7Low143 Ų14392.1 Ų92.193%0.92947%0.469SS*.THydrogen-bonded Turntrans-62.291.7175.9-24.135.3000112.6
345G55.6Low68.2Low81 Ų8193.2 Ų93.284%0.83548%0.478SS*.THydrogen-bonded Turntrans131.7-12.4-175.100000114.9L343L343-G345 PolarHBondContact O-N 3.46Å
346D66.3Low67.1Low77 Ų7794.8 Ų94.841%0.41250%0.498SS..SBendtrans-73.7146.2175.7-83.9-10.2000112.3V342 L343 F348V342-D346 HydrophobicContact CG1-CB 3.67Å; L343-D346 PolarHBondContact N-OD2 3.47Å; L343-D346 PolarHBondContact O-N 2.87Å; D346-F348 PolarHBondContact O-N 2.97Å
347D57.1Low65.8Low123 Ų12393.9 Ų93.966%0.65849%0.493SS*.PPolyproline II helixtrans-71.6122.7-180-150.827.9000111R350D347-R350 IonicContact OD1-NH1 3.33Å; D347-R350 IonicContact OD2-CZ 3.42Å; D347-R350 IonicContact OD2-NH1 2.81Å; D347-R350 PolarHBondContact OD2-NH1 3.01Å; D347-R350 IonicContact OD2-NH2 2.68Å; D347-R350 PolarHBondContact OD2-NH2 3.2Å
348F61.4Low64.2Low94 Ų9494.5 Ų94.541%0.41251%0.513SS..PPolyproline II helixtrans-69.2135.4-169.6-160.6-90.4000112.2M334 I338 D346 R350M334-F348 HydrophobicContact CB-CE1 4.2Å; M334-F348 HydrophobicContact CB-CZ 4.42Å; M334-F348 HydrophobicContact CE-CD1 4.24Å; M334-F348 HydrophobicContact CE-CE1 3.72Å; M334-F348 HydrophobicContact CG-CE1 3.82Å; M334-F348 HydrophobicContact CG-CZ 3.86Å; I338-F348 HydrophobicContact CG2-CE2 3.83Å; I338-F348 HydrophobicContact CG2-CZ 3.58Å; D346-F348 PolarHBondContact O-N 2.97Å; F348-R350 PolarHBondContact O-N 2.87Å
349P68.8Low63.1Low29 Ų29100 Ų10019%0.18853%0.534CS..PPolyproline II helixtrans-61.1130.4-175.8-23.733.8000113.5V325 M334 I338V325-P349 HydrophobicContact CG2-CB 3.61Å; V325-P349 HydrophobicContact CG2-CG 4.02Å; M334-P349 HydrophobicContact CE-CB 3.85Å; M334-P349 HydrophobicContact CE-CG 4.46Å; M334-P349 WeakPolarHBondContact CE-O 3.31Å; I338-P349 HydrophobicContact CD1-CG 4.29Å; I338-P349 HydrophobicContact CG1-CG 4.46Å
350R64.9Low61.8Low188 Ų188100 Ų10071%0.70954%0.543SS*.  trans-92.9110.6-175-69.6-177.4-100.6-91.6-2.5111.5D347 F348D347-R350 IonicContact OD1-NH1 3.33Å; D347-R350 IonicContact OD2-CZ 3.42Å; D347-R350 IonicContact OD2-NH1 2.81Å; D347-R350 PolarHBondContact OD2-NH1 3.01Å; D347-R350 IonicContact OD2-NH2 2.68Å; D347-R350 PolarHBondContact OD2-NH2 3.2Å; F348-R350 PolarHBondContact O-N 2.87Å
351L71.1Confident60.9Low45 Ų4597.5 Ų97.524%0.23653%0.528CS..  trans-64.6129.4-176.6-60.6-177.7000114D329 M334 R353D329-L351 WeakPolarHBondContact OD1-CA 3.42Å; M334-L351 HydrophobicContact CB-CD1 4.24Å; M334-L351 HydrophobicContact CE-CD2 3.4Å; M334-L351 HydrophobicContact CE-CG 3.91Å; M334-L351 HydrophobicContact SD-CD2 3.83Å; L351-R353 PolarHBondContact O-N 2.95Å
352K63.3Low60Low146 Ų14698.3 Ų98.364%0.63553%0.534SS*.  trans-84.459.5176.2-56.6175.2-166.8130.40111.3D329 R354D329-K352 PolarHBondContact OD1-N 3.34Å; D329-K352 IonicContact OD2-NZ 3.65Å; K352-R354 PolarHBondContact O-N 2.86Å
353R62.8Low59.2Low166 Ų166102.2 Ų102.263%0.62655%0.554SS**  trans-35.2103.1-176.7-68.617863.580.1-5.4113.6G332 L351 V355G332-R353 PolarHBondContact O-NH1 3.08Å; L351-R353 PolarHBondContact O-N 2.95Å; R353-V355 PolarHBondContact O-N 2.55Å
354R59.4Low58.7Low205 Ų205104.1 Ų104.177%0.77456%0.56SS**  trans-80.4108.1-179.3-171.4-179.9-177.8-153.33.3110.6K352 G356K352-R354 PolarHBondContact O-N 2.86Å; R354-G356 VanDerWaalsContact C-N 3.31Å; R354-G356 PolarHBondContact O-N 2.79Å
355V49.6Very low59.1Low63 Ų6399.6 Ų99.638%0.38253%0.527SS..  trans-71.784.1178.7-173.80000110.5R353 L394R353-V355 PolarHBondContact O-N 2.55Å; V355-L394 WeakPolarHBondContact O-CD2 3.48Å
356G59.2Low59.3Low51 Ų51101.5 Ų101.553%0.52652%0.517SS..  trans-93156.3-176.900000114.8R354 A358R354-G356 VanDerWaalsContact C-N 3.31Å; R354-G356 PolarHBondContact O-N 2.79Å; G356-A358 VanDerWaalsContact C-N 3.33Å; G356-A358 PolarHBondContact O-N 3.24Å; G356-A358 VanDerWaalsContact O-N 3.17Å
357T54Low58.9Low86 Ų86105.2 Ų105.253%0.52853%0.53SS..  trans-89.350.7-17454.30000113.8Y359 L394T357-Y359 PolarHBondContact O-N 3.01Å; T357-L394 HydrophobicContact CG2-CD1 3.58Å; T357-L394 HydrophobicContact CG2-CD2 4.13Å; T357-L394 HydrophobicContact CG2-CG 4.02Å
358A50.7Low58.8Low100 Ų100100.7 Ų100.783%0.82651%0.509SS*.  trans-71.2119.8169.200000109.8G356G356-A358 VanDerWaalsContact C-N 3.33Å; G356-A358 PolarHBondContact O-N 3.24Å; G356-A358 VanDerWaalsContact O-N 3.17Å
359Y57.8Low58.4Low115 Ų115102.9 Ų102.945%0.45153%0.525SS..  trans-134.213116863.2-90.2000109.6T357 I361 L383T357-Y359 PolarHBondContact O-N 3.01Å; Y359-I361 HydrophobicContact CD2-CG1 3.98Å; Y359-I361 HydrophobicContact CE2-CD1 4.06Å; Y359-I361 HydrophobicContact CE2-CG1 3.72Å; Y359-L383 HydrophobicContact CE2-CD1 4.17Å
360S51.7Low57.9Low103 Ų103110.7 Ų110.772%0.7256%0.556SS**PPolyproline II helixtrans-79.4128.2171.2-168.10000109.3
361I58.1Low57.6Low72 Ų72105.9 Ų105.937%0.36956%0.557SS.*PPolyproline II helixtrans-85.1124.3169.6-59.9176000106.4Y359 D363 L365 I366Y359-I361 HydrophobicContact CD2-CG1 3.98Å; Y359-I361 HydrophobicContact CE2-CD1 4.06Å; Y359-I361 HydrophobicContact CE2-CG1 3.72Å; I361-D363 PolarHBondContact O-N 2.75Å; I361-L365 HydrophobicContact CG2-CB 4.26Å; I361-I366 HydrophobicContact CG2-CD1 4.5Å; I361-I366 HydrophobicContact CG2-CG1 4.32Å
362P59.8Low57.9Low36 Ų36109 Ų10923%0.23457%0.574CS.*PPolyproline II helixtrans-62.2134.4174.3-19.631.6000110.8E364 L365P362-E364 PolarHBondContact O-N 3.01Å; P362-L365 HydrophobicContact CB-CD1 4.22Å; P362-L365 HydrophobicContact CG-CD1 4.17Å; P362-L365 PolarHBondContact O-N 2.89Å
363D55.1Low58.8Low106 Ų106109.2 Ų109.257%0.56758%0.575SS**Hα-helixtrans-58.1-18.6178.7-71.1-32.5000113.5I361 I366 K367I361-D363 PolarHBondContact O-N 2.75Å; D363-I366 PolarHBondContact O-N 2.85Å; D363-K367 WeakPolarHBondContact O-CD 3.42Å; D363-K367 WeakPolarHBondContact O-CG 3.46Å; D363-K367 PolarHBondContact O-N 3.08Å
364E58.3Low59.7Low158 Ų158104 Ų10474%0.73856%0.558SS**Hα-helixtrans-63.9-39174-63.3176.115700112P362 I366 K367P362-E364 PolarHBondContact O-N 3.01Å; E364-I366 PolarHBondContact O-N 3.48Å; E364-K367 PolarHBondContact O-N 3.42Å
365L56.8Low60.7Low48 Ų4896.1 Ų96.125%0.25153%0.534SS..Hα-helixtrans-67.9-20174.7-86.278.9000112.5I361 P362 T379 L383I361-L365 HydrophobicContact CG2-CB 4.26Å; P362-L365 HydrophobicContact CB-CD1 4.22Å; P362-L365 HydrophobicContact CG-CD1 4.17Å; P362-L365 PolarHBondContact O-N 2.89Å; L365-T379 HydrophobicContact CG-CG2 3.94Å; L365-L383 HydrophobicContact CD2-CB 4.46Å
366I59.4Low62.4Low120 Ų12096.8 Ų96.862%0.61553%0.533SS*.Hα-helixtrans-85.4-19.8179.1-55178.7000110.9I361 D363 E364I361-I366 HydrophobicContact CG2-CD1 4.5Å; I361-I366 HydrophobicContact CG2-CG1 4.32Å; D363-I366 PolarHBondContact O-N 2.85Å; E364-I366 PolarHBondContact O-N 3.48Å
367K57.9Low63.7Low155 Ų15595.9 Ų95.967%0.67452%0.516SS*.SBendtrans-99.90.3-176-68166.6-171.7167.30114.4D363 E364 D369D363-K367 WeakPolarHBondContact O-CD 3.42Å; D363-K367 WeakPolarHBondContact O-CG 3.46Å; D363-K367 PolarHBondContact O-N 3.08Å; E364-K367 PolarHBondContact O-N 3.42Å; K367-D369 PolarHBondContact O-N 3.46Å
368A54.8Low65.3Low28 Ų2895.2 Ų95.223%0.23151%0.507CS..  trans-63.8121.8176.500000110.9K370 T379A368-K370 PolarHBondContact O-N 2.99Å; A368-T379 HydrophobicContact CB-CG2 4.39Å
369D53.3Low67Low140 Ų14091.6 Ų91.675%0.74948%0.475SS*.  trans-64.6124.7176.4-96.6-46.4000110.7K367 A371 D372K367-D369 PolarHBondContact O-N 3.46Å; D369-A371 PolarHBondContact O-N 3.08Å; D369-D372 PolarHBondContact O-N 3.36Å
370K57.3Low68.4Low194 Ų19488.4 Ų88.484%0.84347%0.466SS*.THydrogen-bonded Turntrans-71.812.8-173.1-60.9178.6-177.9174.70114.3A368A368-K370 PolarHBondContact O-N 2.99Å
371A58.9Low70.3Confident87 Ų8783.6 Ų83.672%0.71943%0.432SS*.THydrogen-bonded Turntrans-79.1-42.1173.600000111.5D369 K373D369-A371 PolarHBondContact O-N 3.08Å; A371-K373 PolarHBondContact O-N 2.89Å
372D77.9Confident71.8Confident111 Ų11182.9 Ų82.959%0.59443%0.427SS*.  trans-90.797.7-170.1-76.8-23.9000112.7D369 M374 S375 Q376D369-D372 PolarHBondContact O-N 3.36Å; D372-M374 PolarHBondContact O-N 3.22Å; D372-M374 VanDerWaalsContact O-N 3.08Å; D372-S375 WeakPolarHBondContact O-CB 3.43Å; D372-S375 PolarHBondContact O-N 3.39Å; D372-Q376 PolarHBondContact O-N 3.34Å
373K81.5Confident73.3Confident149 Ų14983.2 Ų83.265%0.64843%0.427SS*.Hα-helixtrans-56-25.4177.3-168.7178.7179.5-173.20113.9A371 L377A371-K373 PolarHBondContact O-N 2.89Å; K373-L377 WeakPolarHBondContact O-CG 3.37Å; K373-L377 PolarHBondContact O-N 3.17Å
374M81.9Confident75Confident56 Ų5678.8 Ų78.828%0.27640%0.402SS..Hα-helixtrans-74-46.1174.2-168.3174.4-67.200111.5D372 Q376 L377 E378 M429 R430 A433D372-M374 PolarHBondContact O-N 3.22Å; D372-M374 VanDerWaalsContact O-N 3.08Å; M374-Q376 VanDerWaalsContact C-N 3.34Å; M374-Q376 PolarHBondContact O-N 2.84Å; M374-L377 PolarHBondContact O-N 2.93Å; M374-L377 VanDerWaalsContact O-N 3.11Å; M374-E378 PolarHBondContact O-N 2.9Å; M374-M429 HydrophobicContact CE-CB 4.27Å; M374-R430 HydrophobicContact CE-CG 4.38Å; M374-R430 HydrophobicContact SD-CG 4.18Å; M374-A433 HydrophobicContact CE-CB 3.85Å
375S81.4Confident76.7Confident40 Ų4076.7 Ų76.728%0.2839%0.388SS..Hα-helixtrans-62.3-38.8175.6-177.80000112.2D372 L377 E378 T379D372-S375 WeakPolarHBondContact O-CB 3.43Å; D372-S375 PolarHBondContact O-N 3.39Å; S375-L377 VanDerWaalsContact C-N 3.32Å; S375-L377 PolarHBondContact O-N 2.84Å; S375-E378 PolarHBondContact O-N 2.85Å; S375-T379 WeakPolarHBondContact O-CG2 3.44Å; S375-T379 PolarHBondContact O-N 3.44Å; S375-T379 PolarHBondContact O-OG1 3.31Å
376Q84.4Confident78.2Confident77 Ų7779 Ų7936%0.3639%0.393SS..Hα-helixtrans-61.3-38.1172.8-173.763.269.900112.4D372 M374 T379 D380D372-Q376 PolarHBondContact O-N 3.34Å; M374-Q376 VanDerWaalsContact C-N 3.34Å; M374-Q376 PolarHBondContact O-N 2.84Å; Q376-T379 WeakPolarHBondContact CA-OG1 3.45Å; Q376-T379 PolarHBondContact O-OG1 2.84Å; Q376-T379 VanDerWaalsContact O-OG1 3.05Å; Q376-D380 PolarHBondContact NE2-OD1 2.93Å; Q376-D380 VanDerWaalsContact O-CB 3.26Å; Q376-D380 WeakPolarHBondContact O-CB 3.37Å; Q376-D380 VanDerWaalsContact O-CG 3.23Å; Q376-D380 PolarHBondContact O-N 3.41Å
377L86.6Confident79.7Confident32 Ų3275.8 Ų75.817%0.16838%0.377CS..Hα-helixtrans-72.5-33.9176.2-75.5167.6000112.5K373 M374 S375 V381 L422 L426 M429K373-L377 WeakPolarHBondContact O-CG 3.37Å; K373-L377 PolarHBondContact O-N 3.17Å; M374-L377 PolarHBondContact O-N 2.93Å; M374-L377 VanDerWaalsContact O-N 3.11Å; S375-L377 VanDerWaalsContact C-N 3.32Å; S375-L377 PolarHBondContact O-N 2.84Å; L377-V381 WeakPolarHBondContact O-CB 3.41Å; L377-V381 VanDerWaalsContact O-CG2 3.31Å; L377-V381 WeakPolarHBondContact O-CG2 3.34Å; L377-V381 PolarHBondContact O-N 3.41Å; L377-L422 HydrophobicContact CD2-CD2 4.33Å; L377-L426 HydrophobicContact CB-CB 4.4Å; L377-M429 HydrophobicContact CD1-CG 3.66Å
378E87.7Confident81.4Confident73 Ų7369.4 Ų69.434%0.34135%0.351SS..Hα-helixtrans-66.9-43.7175.7-78.7170.5169.700111.9M374 S375 V381 E382 L426 R430M374-E378 PolarHBondContact O-N 2.9Å; S375-E378 PolarHBondContact O-N 2.85Å; E378-V381 PolarHBondContact O-N 3.21Å; E378-E382 PolarHBondContact O-N 2.91Å; E378-E382 VanDerWaalsContact O-N 3.12Å; E378-L426 HydrophobicContact CB-CD1 4.35Å; E378-L426 HydrophobicContact CG-CD1 3.54Å; E378-L426 HydrophobicContact CG-CG 4.25Å; E378-R430 IonicContact OE1-CZ 2.71Å; E378-R430 IonicContact OE1-NE 3.3Å; E378-R430 PolarHBondContact OE1-NE 3.38Å; E378-R430 IonicContact OE1-NH2 2.7Å; E378-R430 PolarHBondContact OE1-NH2 3.45Å
379T86.1Confident83.2Confident23 Ų2370.8 Ų70.814%0.14136%0.362CS..Hα-helixtrans-68.1-40.217452.60000112.5L365 A368 S375 Q376 V381 E382 L383L365-T379 HydrophobicContact CG-CG2 3.94Å; A368-T379 HydrophobicContact CB-CG2 4.39Å; S375-T379 WeakPolarHBondContact O-CG2 3.44Å; S375-T379 PolarHBondContact O-N 3.44Å; S375-T379 PolarHBondContact O-OG1 3.31Å; Q376-T379 WeakPolarHBondContact CA-OG1 3.45Å; Q376-T379 PolarHBondContact O-OG1 2.84Å; Q376-T379 VanDerWaalsContact O-OG1 3.05Å; T379-V381 PolarHBondContact O-N 2.83Å; T379-E382 PolarHBondContact O-N 3.42Å; T379-L383 WeakPolarHBondContact O-CB 3.36Å; T379-L383 PolarHBondContact O-N 3.4Å
380D87.2Confident84.8Confident49 Ų4965.4 Ų65.426%0.26234%0.337SS..Hα-helixtrans-61.4-41.4173.8-83.38.4000112.2Q376 H384 L422Q376-D380 PolarHBondContact NE2-OD1 2.93Å; Q376-D380 VanDerWaalsContact O-CB 3.26Å; Q376-D380 WeakPolarHBondContact O-CB 3.37Å; Q376-D380 VanDerWaalsContact O-CG 3.23Å; Q376-D380 PolarHBondContact O-N 3.41Å; D380-H384 PolarHBondContact O-N 2.85Å; D380-H384 PolarHBondContact O-ND1 3.3Å; D380-L422 HydrophobicContact CB-CD1 4.43Å; D380-L422 HydrophobicContact CB-CD2 4.39Å
381V92.6Very high86.4Confident1 Ų156.9 Ų56.91%0.00630%0.303CS..Hα-helixtrans-63-49.4176.5159.50000111.1L377 E378 T379 L383 H384 R385 L419 L422 E423 L426L377-V381 WeakPolarHBondContact O-CB 3.41Å; L377-V381 VanDerWaalsContact O-CG2 3.31Å; L377-V381 WeakPolarHBondContact O-CG2 3.34Å; L377-V381 PolarHBondContact O-N 3.41Å; E378-V381 PolarHBondContact O-N 3.21Å; T379-V381 PolarHBondContact O-N 2.83Å; V381-L383 VanDerWaalsContact C-N 3.34Å; V381-L383 PolarHBondContact O-N 3.44Å; V381-H384 PolarHBondContact O-N 3.09Å; V381-R385 VanDerWaalsContact CG1-CZ 3.45Å; V381-R385 WeakPolarHBondContact O-CG 3.29Å; V381-R385 PolarHBondContact O-N 2.91Å; V381-L419 HydrophobicContact CG1-CD1 4.13Å; V381-L422 HydrophobicContact CG2-CB 3.56Å; V381-E423 HydrophobicContact CB-CG 4.4Å; V381-E423 HydrophobicContact CG1-CG 3.63Å; V381-E423 HydrophobicContact CG2-CG 3.79Å; V381-L426 HydrophobicContact CB-CD1 4.23Å; V381-L426 HydrophobicContact CG2-CD1 3.87Å
382E89.7Confident87.9Confident57 Ų5754.6 Ų54.627%0.26628%0.282SS..Hα-helixtrans-64-38.5-179.4176.652.5-155.800112.1E378 T379 H384 R385 R386E378-E382 PolarHBondContact O-N 2.91Å; E378-E382 VanDerWaalsContact O-N 3.12Å; T379-E382 PolarHBondContact O-N 3.42Å; E382-H384 VanDerWaalsContact C-N 3.32Å; E382-H384 PolarHBondContact O-N 3Å; E382-R385 PolarHBondContact O-N 3.49Å; E382-R385 IonicContact OE2-NH1 3.65Å; E382-R386 PolarHBondContact O-N 3.31Å; E382-R386 IonicContact OE1-CZ 3.1Å; E382-R386 VanDerWaalsContact OE1-CZ 3.32Å; E382-R386 IonicContact OE1-NE 3.78Å; E382-R386 PolarHBondContact OE1-NE 2.74Å; E382-R386 IonicContact OE1-NH2 2.72Å; E382-R386 PolarHBondContact OE1-NH2 2.84Å
383L89.6Confident88.5Confident44 Ų4457.6 Ų57.623%0.2328%0.284CS..Hα-helixtrans-58.7-43.3170.5-179.663.4000111.6Y359 L365 T379 V381 R386 I387Y359-L383 HydrophobicContact CE2-CD1 4.17Å; L365-L383 HydrophobicContact CD2-CB 4.46Å; T379-L383 WeakPolarHBondContact O-CB 3.36Å; T379-L383 PolarHBondContact O-N 3.4Å; V381-L383 VanDerWaalsContact C-N 3.34Å; V381-L383 PolarHBondContact O-N 3.44Å; L383-R386 PolarHBondContact O-N 3.2Å; L383-I387 HydrophobicContact CG-CD1 4.15Å; L383-I387 WeakPolarHBondContact O-CG1 3.39Å; L383-I387 PolarHBondContact O-N 2.96Å
384H91.4Very high88.6Confident12 Ų1252.2 Ų52.26%0.05626%0.263CS..Hα-helixtrans-72.3-29179.9-76.377.8000113.7D380 V381 E382 R386 I387 V388 R418 L419 L422D380-H384 PolarHBondContact O-N 2.85Å; D380-H384 PolarHBondContact O-ND1 3.3Å; V381-H384 PolarHBondContact O-N 3.09Å; E382-H384 VanDerWaalsContact C-N 3.32Å; E382-H384 PolarHBondContact O-N 3Å; H384-R386 VanDerWaalsContact C-N 3.34Å; H384-I387 PolarHBondContact O-N 3.1Å; H384-V388 WeakPolarHBondContact O-CG2 3.46Å; H384-V388 PolarHBondContact O-N 2.89Å; H384-R418 WeakPolarHBondContact NE2-CD 3.4Å; H384-R418 PolarHBondContact NE2-NE 2.86Å; H384-L419 HydrophobicContact CB-CB 4.29Å; H384-L419 HydrophobicContact CB-CD1 4.01Å; H384-L422 HydrophobicContact CB-CD1 4.05Å; H384-L422 VanDerWaalsContact CG-CD1 3.47Å; H384-L422 VanDerWaalsContact ND1-CD1 3.27Å; H384-L422 WeakPolarHBondContact ND1-CD1 3.35Å
385R93.4Very high88.9Confident114 Ų11449.8 Ų49.843%0.4325%0.251SS..Hα-helixtrans-60.1-44.2169.3-69.9177.5-173.8148.6-1.9111.4V381 E382 V388 A389 L419 E423V381-R385 VanDerWaalsContact CG1-CZ 3.45Å; V381-R385 WeakPolarHBondContact O-CG 3.29Å; V381-R385 PolarHBondContact O-N 2.91Å; E382-R385 PolarHBondContact O-N 3.49Å; E382-R385 IonicContact OE2-NH1 3.65Å; R385-V388 PolarHBondContact O-N 2.88Å; R385-A389 PolarHBondContact O-N 3.09Å; R385-L419 HydrophobicContact CG-CD1 3.7Å; R385-L419 HydrophobicContact CG-CD2 3.88Å; R385-L419 HydrophobicContact CG-CG 4.47Å; R385-E423 IonicContact CZ-OE1 2.84Å; R385-E423 VanDerWaalsContact CZ-OE1 3.3Å; R385-E423 IonicContact NE-OE1 3.81Å; R385-E423 PolarHBondContact NE-OE1 2.72Å; R385-E423 IonicContact NH2-OE1 3.86Å; R385-E423 PolarHBondContact NH2-OE1 2.63Å
386R88.9Confident89.2Confident96 Ų9652.7 Ų52.736%0.36227%0.267SS..Hα-helixtrans-64.9-40.1176.5-64.2177.7-171.7-139.9-2.9112.1E382 L383 H384 A389 A390E382-R386 PolarHBondContact O-N 3.31Å; E382-R386 IonicContact OE1-CZ 3.1Å; E382-R386 VanDerWaalsContact OE1-CZ 3.32Å; E382-R386 IonicContact OE1-NE 3.78Å; E382-R386 PolarHBondContact OE1-NE 2.74Å; E382-R386 IonicContact OE1-NH2 2.72Å; E382-R386 PolarHBondContact OE1-NH2 2.84Å; L383-R386 PolarHBondContact O-N 3.2Å; H384-R386 VanDerWaalsContact C-N 3.34Å; R386-A389 PolarHBondContact O-N 3.47Å; R386-A390 WeakPolarHBondContact O-CB 3.46Å; R386-A390 PolarHBondContact O-N 2.93Å
387I90.6Very high89.1Confident54 Ų5449.9 Ų49.928%0.27726%0.255SS..Hα-helixtrans-62-44.1173.5-66.7166.2000111.2L383 H384 A390 A391 A415L383-I387 HydrophobicContact CG-CD1 4.15Å; L383-I387 WeakPolarHBondContact O-CG1 3.39Å; L383-I387 PolarHBondContact O-N 2.96Å; H384-I387 PolarHBondContact O-N 3.1Å; I387-A390 PolarHBondContact O-N 2.98Å; I387-A391 VanDerWaalsContact O-CB 3.32Å; I387-A391 WeakPolarHBondContact O-CB 3.19Å; I387-A391 PolarHBondContact O-N 3.21Å; I387-A415 HydrophobicContact CG2-CB 4.26Å
388V94.9Very high89Confident21 Ų2157.2 Ų57.213%0.12729%0.286CS..Hα-helixtrans-63.3-42.9176.3168.50000111.6H384 R385 A391 S392 L412 A415 R416 L419H384-V388 WeakPolarHBondContact O-CG2 3.46Å; H384-V388 PolarHBondContact O-N 2.89Å; R385-V388 PolarHBondContact O-N 2.88Å; V388-A391 PolarHBondContact O-N 2.71Å; V388-S392 WeakPolarHBondContact O-CB 3.32Å; V388-S392 PolarHBondContact O-N 3.44Å; V388-L412 HydrophobicContact CG1-CD1 4.25Å; V388-A415 VanDerWaalsContact CG2-C 3.48Å; V388-A415 HydrophobicContact CG2-CB 3.78Å; V388-R416 HydrophobicContact CG1-CG 3.77Å; V388-R416 HydrophobicContact CG2-CG 4.22Å; V388-L419 HydrophobicContact CB-CD2 4.48Å; V388-L419 HydrophobicContact CG2-CB 4.14Å; V388-L419 HydrophobicContact CG2-CD2 4.06Å
389A91.5Very high88.6Confident57 Ų5759.6 Ų59.647%0.47130%0.301SS..Hα-helixtrans-62.4-44.3176.600000112R385 R386 S392 R393R385-A389 PolarHBondContact O-N 3.09Å; R386-A389 PolarHBondContact O-N 3.47Å; A389-S392 WeakPolarHBondContact O-CB 3.27Å; A389-S392 PolarHBondContact O-N 2.9Å; A389-R393 PolarHBondContact O-N 2.84Å; A389-R393 VanDerWaalsContact O-N 3.16Å
390A86.6Confident88.4Confident26 Ų2660 Ų6022%0.21530%0.303CS..Hα-helixtrans-63.8-45.9175.500000112.1R386 I387 S392 R393 L394R386-A390 WeakPolarHBondContact O-CB 3.46Å; R386-A390 PolarHBondContact O-N 2.93Å; I387-A390 PolarHBondContact O-N 2.98Å; A390-S392 PolarHBondContact O-N 2.85Å; A390-R393 PolarHBondContact O-N 2.92Å; A390-L394 PolarHBondContact O-N 2.88Å
391A90.6Very high88.3Confident15 Ų1562.7 Ų62.712%0.12432%0.317CS..Hα-helixtrans-61.1-33.4175.500000112.2I387 V388 L394 A395 L412I387-A391 VanDerWaalsContact O-CB 3.32Å; I387-A391 WeakPolarHBondContact O-CB 3.19Å; I387-A391 PolarHBondContact O-N 3.21Å; V388-A391 PolarHBondContact O-N 2.71Å; A391-L394 PolarHBondContact O-N 2.7Å; A391-A395 WeakPolarHBondContact O-CB 3.23Å; A391-A395 PolarHBondContact O-N 2.93Å; A391-L412 HydrophobicContact CB-CB 4.16Å; A391-L412 HydrophobicContact CB-CD1 4Å
392S91.9Very high88.1Confident40 Ų4071.5 Ų71.528%0.2836%0.356SS..Hα-helixtrans-65.8-43.6176.1-158.50000111.6V388 A389 A390 L394 A395 T396V388-S392 WeakPolarHBondContact O-CB 3.32Å; V388-S392 PolarHBondContact O-N 3.44Å; A389-S392 WeakPolarHBondContact O-CB 3.27Å; A389-S392 PolarHBondContact O-N 2.9Å; A390-S392 PolarHBondContact O-N 2.85Å; S392-L394 VanDerWaalsContact C-N 3.32Å; S392-L394 PolarHBondContact O-N 3.47Å; S392-A395 PolarHBondContact O-N 2.76Å; S392-T396 PolarHBondContact O-N 2.81Å; S392-T396 PolarHBondContact O-OG1 2.85Å; S392-T396 VanDerWaalsContact O-OG1 3.13Å
393R89.1Confident88Confident173 Ų17372.4 Ų72.465%0.65337%0.368SS*.Hα-helixtrans-65.4-33.5174.8-66.2176.369.7-153.91.9112.7A389 A390 T396A389-R393 PolarHBondContact O-N 2.84Å; A389-R393 VanDerWaalsContact O-N 3.16Å; A390-R393 PolarHBondContact O-N 2.92Å; R393-T396 PolarHBondContact O-OG1 3.12Å
394L84.6Confident88Confident37 Ų3773.3 Ų73.319%0.19438%0.375CS..Hα-helixtrans-70.1-41.2173.5-72.1-177.5000112.4V355 T357 A390 A391 S392 T396 D397 R408V355-L394 WeakPolarHBondContact O-CD2 3.48Å; T357-L394 HydrophobicContact CG2-CD1 3.58Å; T357-L394 HydrophobicContact CG2-CD2 4.13Å; T357-L394 HydrophobicContact CG2-CG 4.02Å; A390-L394 PolarHBondContact O-N 2.88Å; A391-L394 PolarHBondContact O-N 2.7Å; S392-L394 VanDerWaalsContact C-N 3.32Å; S392-L394 PolarHBondContact O-N 3.47Å; L394-T396 VanDerWaalsContact C-N 3.35Å; L394-D397 WeakPolarHBondContact O-CB 3.49Å; L394-D397 PolarHBondContact O-N 3.3Å; L394-R408 HydrophobicContact CB-CG 4.35Å; L394-R408 VanDerWaalsContact O-CD 3.28Å; L394-R408 WeakPolarHBondContact O-CD 3.43Å; L394-R408 PolarHBondContact O-NH1 3.32Å
395A88.6Confident87.9Confident4 Ų476.9 Ų76.93%0.03339%0.388CS..Hα-helixtrans-68.1-32.7-177.900000112.8A391 S392 D397 R405 R408 L412A391-A395 WeakPolarHBondContact O-CB 3.23Å; A391-A395 PolarHBondContact O-N 2.93Å; S392-A395 PolarHBondContact O-N 2.76Å; A395-D397 VanDerWaalsContact C-N 3.32Å; A395-R405 WeakPolarHBondContact O-CG 3.27Å; A395-R408 HydrophobicContact CB-CB 4.45Å; A395-L412 HydrophobicContact CB-CB 4.42Å; A395-L412 HydrophobicContact CB-CD2 3.9Å
396T86.3Confident87.8Confident101 Ų10179.7 Ų79.762%0.6240%0.404SS*.THydrogen-bonded Turntrans-83.6-2176.655.10000114.4S392 R393 L394 K398S392-T396 PolarHBondContact O-N 2.81Å; S392-T396 PolarHBondContact O-OG1 2.85Å; S392-T396 VanDerWaalsContact O-OG1 3.13Å; R393-T396 PolarHBondContact O-OG1 3.12Å; L394-T396 VanDerWaalsContact C-N 3.35Å; T396-K398 PolarHBondContact O-N 3.44Å; T396-K398 VanDerWaalsContact O-N 3.1Å
397D84.2Confident88Confident18 Ų1881.8 Ų81.810%0.09642%0.415CS..  trans-62.9107.7-179-177.4-3.7000112.5L394 A395 N399 T400 R405 R408L394-D397 WeakPolarHBondContact O-CB 3.49Å; L394-D397 PolarHBondContact O-N 3.3Å; A395-D397 VanDerWaalsContact C-N 3.32Å; D397-N399 VanDerWaalsContact C-N 3.3Å; D397-N399 PolarHBondContact O-N 2.6Å; D397-N399 WeakPolarHBondContact OD1-CB 3.48Å; D397-N399 PolarHBondContact OD1-N 2.82Å; D397-T400 PolarHBondContact O-OG1 3.35Å; D397-T400 VanDerWaalsContact O-OG1 3.07Å; D397-T400 VanDerWaalsContact OD2-CG2 3.25Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.43Å; D397-R405 PolarHBondContact O-NE 3.42Å; D397-R405 PolarHBondContact O-NH2 3.24Å; D397-R408 IonicContact OD2-CZ 2.76Å; D397-R408 IonicContact OD2-NH1 3.65Å; D397-R408 PolarHBondContact OD2-NH1 2.95Å; D397-R408 IonicContact OD2-NH2 2.66Å
398K82.8Confident88.1Confident187 Ų18781.4 Ų81.481%0.81341%0.41SS*.THydrogen-bonded Turntrans-71.3-21.2-179.9-66.3-174.3179.8-178.70113.3T396 T400 R405T396-K398 PolarHBondContact O-N 3.44Å; T396-K398 VanDerWaalsContact O-N 3.1Å; K398-T400 PolarHBondContact O-N 3Å; K398-R405 PolarHBondContact O-NH2 2.86Å
399N80.8Confident88.1Confident123 Ų12385 Ų8566%0.65843%0.426SS*.THydrogen-bonded Turntrans-84.617.9-174.8-163.627.4000113.5D397D397-N399 VanDerWaalsContact C-N 3.3Å; D397-N399 PolarHBondContact O-N 2.6Å; D397-N399 WeakPolarHBondContact OD1-CB 3.48Å; D397-N399 PolarHBondContact OD1-N 2.82Å
400T81.8Confident88.3Confident30 Ų3089.4 Ų89.418%0.18443%0.434CS..SBendtrans-130147.5-175.1580000113.8D397 K398 R405D397-T400 PolarHBondContact O-OG1 3.35Å; D397-T400 VanDerWaalsContact O-OG1 3.07Å; D397-T400 VanDerWaalsContact OD2-CG2 3.25Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.43Å; K398-T400 PolarHBondContact O-N 3Å; T400-R405 PolarHBondContact O-NH2 3.47Å
401N85.1Confident88.6Confident106 Ų10691.8 Ų91.857%0.56744%0.444SS*.  trans-53.1142-178.3-174.3-46.7000112.1S403 V404 R405N401-S403 PolarHBondContact O-N 2.94Å; N401-S403 VanDerWaalsContact O-N 3.12Å; N401-S403 PolarHBondContact OD1-N 3.43Å; N401-S403 PolarHBondContact OD1-OG 3.36Å; N401-S403 VanDerWaalsContact OD1-OG 3.06Å; N401-V404 HydrophobicContact CB-CG2 4.25Å; N401-V404 WeakPolarHBondContact O-CA 3.46Å; N401-V404 WeakPolarHBondContact O-CB 3.48Å; N401-V404 PolarHBondContact O-N 2.81Å; N401-R405 PolarHBondContact O-N 3.04Å
402K87.4Confident88.8Confident187 Ų18791.6 Ų91.681%0.81344%0.44SS*.Hα-helixtrans-47.9-38.4178.4-167.7174-177.11770113.1K406K402-K406 WeakPolarHBondContact O-CB 3.39Å; K402-K406 PolarHBondContact O-N 3.03Å
403S88.2Confident89Confident76 Ų7695.6 Ų95.653%0.53145%0.454SS..Hα-helixtrans-68.7-44.4176.463.10000112.7N401 K406 K407N401-S403 PolarHBondContact O-N 2.94Å; N401-S403 VanDerWaalsContact O-N 3.12Å; N401-S403 PolarHBondContact OD1-N 3.43Å; N401-S403 PolarHBondContact OD1-OG 3.36Å; N401-S403 VanDerWaalsContact OD1-OG 3.06Å; S403-K406 PolarHBondContact O-N 3.33Å; S403-K407 PolarHBondContact O-N 2.93Å
404V88.8Confident89.2Confident62 Ų6290.1 Ų90.138%0.37645%0.447SS..Hα-helixtrans-65.7-41.6177.6177.40000110.8N401 K407 R408N401-V404 HydrophobicContact CB-CG2 4.25Å; N401-V404 WeakPolarHBondContact O-CA 3.46Å; N401-V404 WeakPolarHBondContact O-CB 3.48Å; N401-V404 PolarHBondContact O-N 2.81Å; V404-K407 PolarHBondContact O-N 3.18Å; V404-R408 HydrophobicContact CG1-CG 4.44Å; V404-R408 WeakPolarHBondContact O-CG 3.4Å; V404-R408 PolarHBondContact O-N 3Å
405R89.1Confident89.7Confident88 Ų8889 Ų8933%0.33244%0.443SS..Hα-helixtrans-64.3-43.7175.2-157.4179.5-55.6156.115.1111.6A395 D397 K398 T400 N401 K407 R408 Q409A395-R405 WeakPolarHBondContact O-CG 3.27Å; D397-R405 PolarHBondContact O-NE 3.42Å; D397-R405 PolarHBondContact O-NH2 3.24Å; K398-R405 PolarHBondContact O-NH2 2.86Å; T400-R405 PolarHBondContact O-NH2 3.47Å; N401-R405 PolarHBondContact O-N 3.04Å; R405-K407 VanDerWaalsContact C-N 3.3Å; R405-K407 PolarHBondContact O-N 3.3Å; R405-R408 PolarHBondContact O-N 2.86Å; R405-Q409 WeakPolarHBondContact O-CB 3.46Å; R405-Q409 PolarHBondContact O-N 2.93Å
406K91.9Very high90Very high173 Ų17394.8 Ų94.875%0.75246%0.464SS*.Hα-helixtrans-60.7-36.3174.2-170.5172.5-177.3175.90112.3K402 S403 K410K402-K406 WeakPolarHBondContact O-CB 3.39Å; K402-K406 PolarHBondContact O-N 3.03Å; S403-K406 PolarHBondContact O-N 3.33Å; K406-K410 PolarHBondContact O-N 3.29Å
407K93.3Very high90.5Very high139 Ų13994.6 Ų94.660%0.60446%0.458SS*.Hα-helixtrans-65.3-52.6171.6-173.8-175.3171.1-178.80111.5S403 V404 R405 Q409 K410 D411S403-K407 PolarHBondContact O-N 2.93Å; V404-K407 PolarHBondContact O-N 3.18Å; R405-K407 VanDerWaalsContact C-N 3.3Å; R405-K407 PolarHBondContact O-N 3.3Å; K407-Q409 PolarHBondContact O-N 2.88Å; K407-K410 WeakPolarHBondContact O-CA 3.4Å; K407-K410 WeakPolarHBondContact O-CB 3.3Å; K407-K410 PolarHBondContact O-N 3.33Å; K407-D411 PolarHBondContact O-N 3.2Å
408R93.6Very high91Very high46 Ų46101.1 Ų101.117%0.17448%0.482CS..Hα-helixtrans-58.5-33.7179.4-69.9167.9167.7-160.55.2112.8L394 A395 D397 V404 R405 D411 L412L394-R408 HydrophobicContact CB-CG 4.35Å; L394-R408 VanDerWaalsContact O-CD 3.28Å; L394-R408 WeakPolarHBondContact O-CD 3.43Å; L394-R408 PolarHBondContact O-NH1 3.32Å; A395-R408 HydrophobicContact CB-CB 4.45Å; D397-R408 IonicContact OD2-CZ 2.76Å; D397-R408 IonicContact OD2-NH1 3.65Å; D397-R408 PolarHBondContact OD2-NH1 2.95Å; D397-R408 IonicContact OD2-NH2 2.66Å; V404-R408 HydrophobicContact CG1-CG 4.44Å; V404-R408 WeakPolarHBondContact O-CG 3.4Å; V404-R408 PolarHBondContact O-N 3Å; R405-R408 PolarHBondContact O-N 2.86Å; R408-D411 PolarHBondContact O-N 2.83Å; R408-L412 WeakPolarHBondContact O-CB 3.16Å; R408-L412 PolarHBondContact O-N 2.92Å
409Q93.9Very high91.6Very high97 Ų9793 Ų9345%0.45345%0.447SS..Hα-helixtrans-60.1-43.1171.8-161.280.27.100112R405 K407 Q413R405-Q409 WeakPolarHBondContact O-CB 3.46Å; R405-Q409 PolarHBondContact O-N 2.93Å; K407-Q409 PolarHBondContact O-N 2.88Å; Q409-Q413 WeakPolarHBondContact O-CG 3.49Å; Q409-Q413 PolarHBondContact O-N 3.4Å; Q409-Q413 VanDerWaalsContact O-N 3.12Å
410K95.3Very high92.3Very high149 Ų14991.2 Ų91.265%0.64844%0.437SS*.Hα-helixtrans-70.3-39.3175.9-173.1179.7-179.81790111.7K406 K407 L412 Q413 A414K406-K410 PolarHBondContact O-N 3.29Å; K407-K410 WeakPolarHBondContact O-CA 3.4Å; K407-K410 WeakPolarHBondContact O-CB 3.3Å; K407-K410 PolarHBondContact O-N 3.33Å; K410-L412 VanDerWaalsContact C-N 3.32Å; K410-L412 PolarHBondContact O-N 3.4Å; K410-Q413 PolarHBondContact O-N 3.14Å; K410-A414 PolarHBondContact O-N 2.85Å
411D93.1Very high92.9Very high77 Ų7797.7 Ų97.741%0.41246%0.459SS..Hα-helixtrans-63.6-38.9176.7-59.8-26.5000110.9K407 R408 A414 A415K407-D411 PolarHBondContact O-N 3.2Å; R408-D411 PolarHBondContact O-N 2.83Å; D411-A414 PolarHBondContact O-N 2.78Å; D411-A415 WeakPolarHBondContact O-CB 3.44Å; D411-A415 PolarHBondContact O-N 2.88Å
412L95.1Very high93.3Very high10 Ų1094.1 Ų94.15%0.05244%0.439CS..Hα-helixtrans-62-44.5170.6171.762.2000112.7V388 A391 A395 R408 K410 A414 A415 R416V388-L412 HydrophobicContact CG1-CD1 4.25Å; A391-L412 HydrophobicContact CB-CB 4.16Å; A391-L412 HydrophobicContact CB-CD1 4Å; A395-L412 HydrophobicContact CB-CB 4.42Å; A395-L412 HydrophobicContact CB-CD2 3.9Å; R408-L412 WeakPolarHBondContact O-CB 3.16Å; R408-L412 PolarHBondContact O-N 2.92Å; K410-L412 VanDerWaalsContact C-N 3.32Å; K410-L412 PolarHBondContact O-N 3.4Å; L412-A414 VanDerWaalsContact C-N 3.34Å; L412-A415 PolarHBondContact O-N 2.78Å; L412-R416 HydrophobicContact CD1-CG 4.26Å; L412-R416 WeakPolarHBondContact O-CG 3.22Å; L412-R416 PolarHBondContact O-N 2.84Å
413Q95.8Very high93.6Very high124 Ų12487.6 Ų87.658%0.57941%0.412SS*.Hα-helixtrans-61.6-42.5175.7-73.9172.9-23.800111.6Q409 K410 R416 L417Q409-Q413 WeakPolarHBondContact O-CG 3.49Å; Q409-Q413 PolarHBondContact O-N 3.4Å; Q409-Q413 VanDerWaalsContact O-N 3.12Å; K410-Q413 PolarHBondContact O-N 3.14Å; Q413-R416 PolarHBondContact O-N 3.05Å; Q413-L417 PolarHBondContact O-N 2.87Å
414A94.6Very high93.9Very high59 Ų5989.8 Ų89.849%0.48841%0.414SS..Hα-helixtrans-64.9-40.7176.300000112.4K410 D411 L412 L417 R418K410-A414 PolarHBondContact O-N 2.85Å; D411-A414 PolarHBondContact O-N 2.78Å; L412-A414 VanDerWaalsContact C-N 3.34Å; A414-L417 PolarHBondContact O-N 2.87Å; A414-R418 PolarHBondContact O-N 2.84Å
415A93.9Very high94.1Very high14 Ų1487.9 Ų87.912%0.11641%0.407CS..Hα-helixtrans-62.5-44.917500000111.9I387 V388 D411 L412 R418 L419I387-A415 HydrophobicContact CG2-CB 4.26Å; V388-A415 VanDerWaalsContact CG2-C 3.48Å; V388-A415 HydrophobicContact CG2-CB 3.78Å; D411-A415 WeakPolarHBondContact O-CB 3.44Å; D411-A415 PolarHBondContact O-N 2.88Å; L412-A415 PolarHBondContact O-N 2.78Å; A415-R418 PolarHBondContact O-N 2.92Å; A415-L419 PolarHBondContact O-N 3.24Å
416R95.7Very high94.1Very high125 Ų12584.4 Ų84.447%0.47239%0.394SS..Hα-helixtrans-60.5-46.8175.4-73.5176.5179-172.80.4111.6V388 L412 Q413 R418 L419 N420V388-R416 HydrophobicContact CG1-CG 3.77Å; V388-R416 HydrophobicContact CG2-CG 4.22Å; L412-R416 HydrophobicContact CD1-CG 4.26Å; L412-R416 WeakPolarHBondContact O-CG 3.22Å; L412-R416 PolarHBondContact O-N 2.84Å; Q413-R416 PolarHBondContact O-N 3.05Å; R416-R418 VanDerWaalsContact C-N 3.26Å; R416-R418 PolarHBondContact O-N 3Å; R416-L419 PolarHBondContact O-N 2.68Å; R416-N420 PolarHBondContact O-N 2.96Å; R416-N420 PolarHBondContact O-OD1 3.01Å
417L96.3Very high94.1Very high97 Ų9781.3 Ų81.351%0.50838%0.382SS..Hα-helixtrans-60.1-35.9176.9-177.962.9000112.5Q413 A414 R421Q413-L417 PolarHBondContact O-N 2.87Å; A414-L417 PolarHBondContact O-N 2.87Å; L417-R421 WeakPolarHBondContact O-CG 3.26Å; L417-R421 PolarHBondContact O-N 3.24Å
418R94Very high94Very high154 Ų15481.7 Ų81.758%0.58139%0.387SS*.Hα-helixtrans-71.5-40.2176.6-172.1170177.5-174.5-7.8112.4H384 A414 A415 R416 R421 L422H384-R418 WeakPolarHBondContact NE2-CD 3.4Å; H384-R418 PolarHBondContact NE2-NE 2.86Å; A414-R418 PolarHBondContact O-N 2.84Å; A415-R418 PolarHBondContact O-N 2.92Å; R416-R418 VanDerWaalsContact C-N 3.26Å; R416-R418 PolarHBondContact O-N 3Å; R418-R421 PolarHBondContact O-N 3.25Å; R418-L422 HydrophobicContact CG-CD1 4.42Å; R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 2.68Å
419L95.7Very high93.5Very high17 Ų1782 Ų829%0.08939%0.391CS..Hα-helixtrans-58.7-52.4173.6174.559.9000111V381 H384 R385 V388 A415 R416 R421 L422 E423V381-L419 HydrophobicContact CG1-CD1 4.13Å; H384-L419 HydrophobicContact CB-CB 4.29Å; H384-L419 HydrophobicContact CB-CD1 4.01Å; R385-L419 HydrophobicContact CG-CD1 3.7Å; R385-L419 HydrophobicContact CG-CD2 3.88Å; R385-L419 HydrophobicContact CG-CG 4.47Å; V388-L419 HydrophobicContact CB-CD2 4.48Å; V388-L419 HydrophobicContact CG2-CB 4.14Å; V388-L419 HydrophobicContact CG2-CD2 4.06Å; A415-L419 PolarHBondContact O-N 3.24Å; R416-L419 PolarHBondContact O-N 2.68Å; L419-R421 VanDerWaalsContact C-N 3.25Å; L419-R421 PolarHBondContact O-N 2.9Å; L419-L422 PolarHBondContact O-N 3.09Å; L419-E423 HydrophobicContact CD1-CG 3.96Å; L419-E423 HydrophobicContact CG-CG 4.46Å; L419-E423 PolarHBondContact O-N 3.21Å
420N95.5Very high93.2Very high85 Ų8583.6 Ų83.646%0.45539%0.392SS..Hα-helixtrans-56.6-38.3-179.1-67.222.1000112.4R416 E423 Q424R416-N420 PolarHBondContact O-N 2.96Å; R416-N420 PolarHBondContact O-OD1 3.01Å; N420-E423 PolarHBondContact O-N 3.11Å; N420-Q424 WeakPolarHBondContact O-CB 3.44Å; N420-Q424 VanDerWaalsContact O-CG 3.27Å; N420-Q424 WeakPolarHBondContact O-CG 3.46Å; N420-Q424 PolarHBondContact O-N 2.72Å
421R94.8Very high92.6Very high167 Ų16783.3 Ų83.363%0.6339%0.393SS*.Hα-helixtrans-66.2-37.3176.5-75.2175.4176.9-169.6-1.2113L417 R418 L419 G425L417-R421 WeakPolarHBondContact O-CG 3.26Å; L417-R421 PolarHBondContact O-N 3.24Å; R418-R421 PolarHBondContact O-N 3.25Å; L419-R421 VanDerWaalsContact C-N 3.25Å; L419-R421 PolarHBondContact O-N 2.9Å; R421-G425 PolarHBondContact O-N 3.18Å; R421-G425 VanDerWaalsContact O-N 3.09Å
422L93.3Very high91.9Very high30 Ų3082.9 Ų82.916%0.15740%0.396CS..Hα-helixtrans-71.7-41.3176.8-68.4166.8000110.9L377 D380 V381 H384 R418 L419 Q424 G425 L426L377-L422 HydrophobicContact CD2-CD2 4.33Å; D380-L422 HydrophobicContact CB-CD1 4.43Å; D380-L422 HydrophobicContact CB-CD2 4.39Å; V381-L422 HydrophobicContact CG2-CB 3.56Å; H384-L422 HydrophobicContact CB-CD1 4.05Å; H384-L422 VanDerWaalsContact CG-CD1 3.47Å; H384-L422 VanDerWaalsContact ND1-CD1 3.27Å; H384-L422 WeakPolarHBondContact ND1-CD1 3.35Å; R418-L422 HydrophobicContact CG-CD1 4.42Å; R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 2.68Å; L419-L422 PolarHBondContact O-N 3.09Å; L422-Q424 PolarHBondContact O-N 2.67Å; L422-G425 PolarHBondContact O-N 2.86Å; L422-L426 WeakPolarHBondContact O-CB 3.46Å; L422-L426 PolarHBondContact O-N 3.26Å
423E94.2Very high90.7Very high50 Ų5085.9 Ų85.923%0.23442%0.422CS..Hα-helixtrans-64.6-37.8175.9-69.6-175.7144.700112.1V381 R385 L419 N420 L426 Q427V381-E423 HydrophobicContact CB-CG 4.4Å; V381-E423 HydrophobicContact CG1-CG 3.63Å; V381-E423 HydrophobicContact CG2-CG 3.79Å; R385-E423 IonicContact CZ-OE1 2.84Å; R385-E423 VanDerWaalsContact CZ-OE1 3.3Å; R385-E423 IonicContact NE-OE1 3.81Å; R385-E423 PolarHBondContact NE-OE1 2.72Å; R385-E423 IonicContact NH2-OE1 3.86Å; R385-E423 PolarHBondContact NH2-OE1 2.63Å; L419-E423 HydrophobicContact CD1-CG 3.96Å; L419-E423 HydrophobicContact CG-CG 4.46Å; L419-E423 PolarHBondContact O-N 3.21Å; N420-E423 PolarHBondContact O-N 3.11Å; E423-L426 PolarHBondContact O-N 2.96Å; E423-Q427 WeakPolarHBondContact O-CB 3.2Å; E423-Q427 VanDerWaalsContact O-CG 3.27Å; E423-Q427 WeakPolarHBondContact O-CG 3.31Å; E423-Q427 PolarHBondContact O-N 3.44Å
424Q94.2Very high89.1Confident123 Ų12384.5 Ų84.558%0.57543%0.426SS*.Hα-helixtrans-63.4-44.4170.9-76.4172.1-12.300112.7N420 L422 L426 Q427 Q428N420-Q424 WeakPolarHBondContact O-CB 3.44Å; N420-Q424 VanDerWaalsContact O-CG 3.27Å; N420-Q424 WeakPolarHBondContact O-CG 3.46Å; N420-Q424 PolarHBondContact O-N 2.72Å; L422-Q424 PolarHBondContact O-N 2.67Å; Q424-L426 VanDerWaalsContact C-N 3.32Å; Q424-L426 PolarHBondContact O-N 2.89Å; Q424-Q427 PolarHBondContact O-N 3.08Å; Q424-Q428 WeakPolarHBondContact O-CB 3.24Å; Q424-Q428 PolarHBondContact O-N 3.28Å
425G92.4Very high87.1Confident22 Ų2289.8 Ų89.823%0.22744%0.438CS..Hα-helixtrans-63.6-37.6176.500000112.9R421 L422 Q428 M429R421-G425 PolarHBondContact O-N 3.18Å; R421-G425 VanDerWaalsContact O-N 3.09Å; L422-G425 PolarHBondContact O-N 2.86Å; G425-Q428 PolarHBondContact O-N 3.12Å; G425-M429 WeakPolarHBondContact O-CG 3.26Å; G425-M429 PolarHBondContact O-N 3.17Å
426L90.5Very high84.9Confident15 Ų1594.1 Ų94.18%0.07947%0.465CS..Hα-helixtrans-65.9-44.4174.2176.7160.6000111.8L377 E378 V381 L422 E423 Q424 M429 R430L377-L426 HydrophobicContact CB-CB 4.4Å; E378-L426 HydrophobicContact CB-CD1 4.35Å; E378-L426 HydrophobicContact CG-CD1 3.54Å; E378-L426 HydrophobicContact CG-CG 4.25Å; V381-L426 HydrophobicContact CB-CD1 4.23Å; V381-L426 HydrophobicContact CG2-CD1 3.87Å; L422-L426 WeakPolarHBondContact O-CB 3.46Å; L422-L426 PolarHBondContact O-N 3.26Å; E423-L426 PolarHBondContact O-N 2.96Å; Q424-L426 VanDerWaalsContact C-N 3.32Å; Q424-L426 PolarHBondContact O-N 2.89Å; L426-M429 PolarHBondContact O-N 2.87Å; L426-R430 WeakPolarHBondContact O-CG 2.86Å; L426-R430 PolarHBondContact O-N 3.32Å
427Q90.3Very high82Confident107 Ų10795.2 Ų95.250%0.548%0.481SS..Hα-helixtrans-60.2-46.7173-74.1168.30.500111.2E423 Q424 M429 R430 H431E423-Q427 WeakPolarHBondContact O-CB 3.2Å; E423-Q427 VanDerWaalsContact O-CG 3.27Å; E423-Q427 WeakPolarHBondContact O-CG 3.31Å; E423-Q427 PolarHBondContact O-N 3.44Å; Q424-Q427 PolarHBondContact O-N 3.08Å; Q427-M429 VanDerWaalsContact C-N 3.33Å; Q427-M429 PolarHBondContact O-N 2.92Å; Q427-R430 PolarHBondContact O-N 3.13Å; Q427-R430 VanDerWaalsContact O-N 3.17Å; Q427-H431 PolarHBondContact O-CD2 2.89Å; Q427-H431 PolarHBondContact O-N 3.47Å
428Q91.1Very high79.7Confident148 Ų14898.3 Ų98.369%0.69250%0.496SS*.Hα-helixtrans-59.4-42.3177.6-170.7177.138.200112.1Q424 G425 H431 S432Q424-Q428 WeakPolarHBondContact O-CB 3.24Å; Q424-Q428 PolarHBondContact O-N 3.28Å; G425-Q428 PolarHBondContact O-N 3.12Å; Q428-H431 PolarHBondContact O-N 3.48Å; Q428-S432 WeakPolarHBondContact O-CB 3.49Å; Q428-S432 PolarHBondContact O-N 2.93Å; Q428-S432 PolarHBondContact O-OG 2.98Å
429M84.3Confident77.2Confident52 Ų5295.9 Ų95.926%0.25650%0.502SS..Hα-helixtrans-61.3-46.8173.7-77-63.7-53.500111.9M374 L377 G425 L426 Q427 H431 S432 A433M374-M429 HydrophobicContact CE-CB 4.27Å; L377-M429 HydrophobicContact CD1-CG 3.66Å; G425-M429 WeakPolarHBondContact O-CG 3.26Å; G425-M429 PolarHBondContact O-N 3.17Å; L426-M429 PolarHBondContact O-N 2.87Å; Q427-M429 VanDerWaalsContact C-N 3.33Å; Q427-M429 PolarHBondContact O-N 2.92Å; M429-H431 PolarHBondContact O-N 3.31Å; M429-S432 WeakPolarHBondContact CA-OG 2.89Å; M429-S432 PolarHBondContact O-N 3.3Å; M429-S432 VanDerWaalsContact O-N 3.15Å; M429-S432 PolarHBondContact O-OG 2.86Å; M429-A433 PolarHBondContact O-N 3.33Å
430R86.6Confident74.5Confident131 Ų131100.3 Ų100.349%0.49454%0.535SS..Hα-helixtrans-61-43.1177.5-72.9178.4176.7-173.7-3.2112.3M374 E378 L426 Q427 S432 A433 S434M374-R430 HydrophobicContact CE-CG 4.38Å; M374-R430 HydrophobicContact SD-CG 4.18Å; E378-R430 IonicContact OE1-CZ 2.71Å; E378-R430 IonicContact OE1-NE 3.3Å; E378-R430 PolarHBondContact OE1-NE 3.38Å; E378-R430 IonicContact OE1-NH2 2.7Å; E378-R430 PolarHBondContact OE1-NH2 3.45Å; L426-R430 WeakPolarHBondContact O-CG 2.86Å; L426-R430 PolarHBondContact O-N 3.32Å; Q427-R430 PolarHBondContact O-N 3.13Å; Q427-R430 VanDerWaalsContact O-N 3.17Å; R430-S432 VanDerWaalsContact C-N 3.35Å; R430-S432 PolarHBondContact O-N 3.19Å; R430-A433 PolarHBondContact O-N 2.93Å; R430-S434 WeakPolarHBondContact O-CB 2.98Å; R430-S434 PolarHBondContact O-N 2.83Å
431H82.5Confident71.6Confident143 Ų143104.8 Ų104.866%0.66256%0.558SS**Hα-helixtrans-63.8-38173.5-67.7-57.9000112.5Q427 Q428 M429 A433 S434Q427-H431 PolarHBondContact O-CD2 2.89Å; Q427-H431 PolarHBondContact O-N 3.47Å; Q428-H431 PolarHBondContact O-N 3.48Å; M429-H431 PolarHBondContact O-N 3.31Å; H431-A433 VanDerWaalsContact C-N 3.31Å; H431-A433 PolarHBondContact O-N 2.89Å; H431-S434 PolarHBondContact O-N 3.31Å
432S79.7Confident68.8Low68 Ų68103.5 Ų103.548%0.47657%0.569SS.*Hα-helixtrans-68.3-28.5178.474.40000113.9Q428 M429 R430Q428-S432 WeakPolarHBondContact O-CB 3.49Å; Q428-S432 PolarHBondContact O-N 2.93Å; Q428-S432 PolarHBondContact O-OG 2.98Å; M429-S432 WeakPolarHBondContact CA-OG 2.89Å; M429-S432 PolarHBondContact O-N 3.3Å; M429-S432 VanDerWaalsContact O-N 3.15Å; M429-S432 PolarHBondContact O-OG 2.86Å; R430-S432 VanDerWaalsContact C-N 3.35Å; R430-S432 PolarHBondContact O-N 3.19Å
433A69.1Low66Low72 Ų72107.3 Ų107.360%0.59560%0.598SS**Hα-helixtrans-83.6-9.5176.700000113.8M374 M429 R430 H431M374-A433 HydrophobicContact CE-CB 3.85Å; M429-A433 PolarHBondContact O-N 3.33Å; R430-A433 PolarHBondContact O-N 2.93Å; H431-A433 VanDerWaalsContact C-N 3.31Å; H431-A433 PolarHBondContact O-N 2.89Å
434S63.5Low63.1Low95 Ų95112.9 Ų112.966%0.66463%0.629SS**  trans-101.827.7-173.2-172.20000113.5R430 H431 P436R430-S434 WeakPolarHBondContact O-CB 2.98Å; R430-S434 PolarHBondContact O-N 2.83Å; H431-S434 PolarHBondContact O-N 3.31Å; S434-P436 WeakPolarHBondContact O-CD 3.48Å
435K52.3Low60.2Low170 Ų170112.6 Ų112.674%0.73964%0.641SS**  trans-83.7123.3174.1-72.6-174.3174.7-174.10110.7
436P47.1Very low57.4Low106 Ų106116.8 Ų116.869%0.68867%0.666SS**  trans-76131.3160.331.4-31.2000109.6S434 I438S434-P436 WeakPolarHBondContact O-CD 3.48Å; P436-I438 PolarHBondContact O-N 3.05Å
437D34.4Very low54.8Low148 Ų148123.3 Ų123.379%0.79170%0.702SS**  trans-75111.5171.9-84.4-34.1000110.3
438I48.1Very low51.9Low162 Ų162123.9 Ų123.983%0.83172%0.717SS**  trans-103.176.6171-56.1-179.4000108P436P436-I438 PolarHBondContact O-N 3.05Å
439S40.7Very low49Very low102 Ų102128 Ų12871%0.71373%0.726SS**  trans-157.445.9176.166.60000114.5
440S39.8Very low46.8Very low111 Ų111132.6 Ų132.678%0.77676%0.758SS**  trans-153.159.8173.168.10000114.4
441L35.3Very low44.3Very low179 Ų179130.9 Ų130.994%0.93777%0.772SS**  trans-136.483.4163.4-76.5179.4000110.3
442T35.3Very low42.1Very low140 Ų140129.9 Ų129.986%0.85978%0.781SS**  trans-91.8144.5155.447.50000108.8
443S34.8Very low40Very low109 Ų109134.2 Ų134.276%0.76280%0.799SS**  trans-49.5142.7-174.4-44.30000115.1
444D32.6Very low38.4Very low168 Ų168135.8 Ų135.890%0.89881%0.805SS**  -159.5161111.6-107.8-21.8000112.2
445S33.1Very low37Very low117 Ų117137 Ų13782%0.81881%0.814SS**  trans-118.8127.7-166.6-65.10000113.5
446S33.8Very low36.3Very low109 Ų109132.6 Ų132.676%0.76282%0.816SS**  trans-165.9126.1144.9-163.10000113.8
447N36.8Very low36.3Very low153 Ų153133.9 Ų133.982%0.81883%0.825SS**  trans16.7125150.8-56.1-20.1000120.6
448S28.3Very low36.3Very low118 Ų118134.4 Ų134.483%0.82583%0.825SS**  -169.5167.992.4-157.70000113.6
449W31.9Very low36Very low234 Ų234134.7 Ų134.789%0.88683%0.827SS**  trans-77.5145.1-166.1-66.255.8000115.1
450T37Very low35.8Very low149 Ų149135.4 Ų135.491%0.91483%0.827SS**  -170.4155.6115.317.60000110.5
451A34Very low35.6Very low95 Ų95137.1 Ų137.179%0.78583%0.825SS**  trans-127153.6-173.400000112.6
452S35.6Very low35.6Very low122 Ų122132.9 Ų132.985%0.85382%0.815SS**  trans-161.7145.1158.1-82.20000111.1
453N37.5Very low35.6Very low160 Ų160133.2 Ų133.286%0.85681%0.809SS**  trans-73161.9-178-64.7-26.2000111.1
454S33.8Very low35.5Very low105 Ų105133.6 Ų133.673%0.73481%0.806SS**  -176.6160.451.844.60000114.1
455S35.8Very low35.5Very low120 Ų120134.5 Ų134.584%0.83980%0.803SS**  trans59.3115.1153.1-56.20000120.4
456G35.7Very low35.5Very low77 Ų77134.5 Ų134.579%0.79480%0.802SS**  trans-93-143.7168.500000113.4
457P48.8Very low35.5Very low134 Ų134135.1 Ų135.187%0.8781%0.805SS**  cis-122.6177.915.241.9-29.1000115.9
458M34.3Very low36Very low159 Ų159133.8 Ų133.878%0.78381%0.805SS**  trans-86.1158.4174.3-62.9165.951.600113.6
459L40.3Very low36.2Very low168 Ų168134.4 Ų134.488%0.8880%0.804SS**  -149.9154.7123.3-67.2-177.4000107.8
460T37.8Very low36.5Very low116 Ų116129.2 Ų129.271%0.71280%0.798SS**  cis-166.3143.4-30.5-84.30000105.2
461M35.7Very low36.8Very low148 Ų148127.9 Ų127.973%0.72979%0.792SS**  trans-119.1134.7-173.9-167.9-176.378.600113.9M463M461-M463 HydrophobicContact CE-CE 3.53Å; M461-M463 HydrophobicContact CE-CG 4.13Å
462A34.3Very low36.7Very low89 Ų89134.9 Ų134.974%0.73680%0.798SS**  trans-147.5121.1159.300000106.8
463M35.5Very low36.3Very low147 Ų147132.4 Ų132.472%0.72479%0.792SS**  51.5114.762.6-56.8-151.7-175.300111.5M461M461-M463 HydrophobicContact CE-CE 3.53Å; M461-M463 HydrophobicContact CE-CG 4.13Å
464T32.8Very low36.1Very low117 Ų117131 Ų13172%0.71880%0.795SS**  -167.8148.360.334.40000114.6
465K33.4Very low36.1Very low188 Ų188132.6 Ų132.682%0.81780%0.8SS**  trans58.9139.2137.9-64.2178.8178.5-179.40123.8
466S32.6Very low36.3Very low116 Ų116132.5 Ų132.581%0.81180%0.796SS**  trans70.1121.5144.746.50000121.9
467C32.8Very low36.1Very low122 Ų122136.5 Ų136.582%0.82480%0.799SS**  trans-67.3164.9154.9-44.80000111
468P47.1Very low35.4Very low125 Ų125138 Ų13881%0.81280%0.799SS**  -143.4-17798.440-26.2000116.2
469T33.2Very low35.2Very low131 Ų131141.5 Ų141.580%0.80480%0.804SS**  trans-45.8157.1-175.6-480000118.4
470T38.6Very low34.7Very low125 Ų125140.6 Ų140.677%0.76780%0.8SS**  trans-59.3161.4174.651.40000115.5
471P43.7Very low34.3Very low121 Ų121138.1 Ų138.179%0.78680%0.798SS**  -134.5122.1121.336.1-26.7000115.6G473P471-G473 PolarHBondContact O-N 3.3Å
472R32.3Very low34.4Very low243 Ų243138.6 Ų138.692%0.91780%0.802SS**  36.578.7129.3-159.6177.4-172.6159.60.5120.1
473G26.9Very low34.4Very low70 Ų70140.8 Ų140.872%0.72280%0.802SS**  81.5129.2122.300000121.3P471P471-G473 PolarHBondContact O-N 3.3Å
474S32.6Very low34.5Very low130 Ų130141.5 Ų141.591%0.90981%0.808SS**  trans-160.2166.7142.5-84.20000110.1
475V34.5Very low34.9Very low139 Ų139142.3 Ų142.384%0.84280%0.804SS**  trans-80.2142.2-172.7-173.40000110.5
476P40.3Very low34.9Very low117 Ų117141.1 Ų141.176%0.7680%0.799SS**  trans-73.3147.217331.2-36000111.8
477D30.1Very low35Very low162 Ų162144 Ų14487%0.86681%0.805SS**  trans-127152.7161-160.32.7000109.3
478L33.8Very low35.2Very low165 Ų165146.6 Ų146.686%0.86481%0.805SS**  trans-106.5144.8-168.5-68.5169.2000111.3
479R30.1Very low34.6Very low233 Ų233150.6 Ų150.688%0.87981%0.81SS**  trans-145.8147171.1-144.2-178.8179.6-151.3-4.8112.3
480N31.4Very low34.7Very low148 Ų148150.4 Ų150.479%0.79180%0.804SS**  trans70127.2-176.6-49.51.5000112.8
481G29.3Very low34.6Very low65 Ų65152.4 Ų152.467%0.6781%0.805SS**  cis112.8148.6-1.500000112.9
482L37.2Very low34Very low158 Ų158152.4 Ų152.483%0.82780%0.798SS**  trans71.1139-169-43.8-180000113.9
483D33.8Very low34.2Very low135 Ų135146.4 Ų146.472%0.72279%0.788SS**  cis-158.4151.3-21.2-90.6-33.1000107.2
484D38.4Very low34.6Very low161 Ų161151.4 Ų151.486%0.86179%0.793SS**  177.4160.3126-115.9-33.1000114.6
485E40.7Very low34.6Very low134 Ų134152.3 Ų152.363%0.62679%0.788SS**  trans-47130.6-178-71.1-72.691.100115.5
486K32.9Very low34.4Very low163 Ų163156 Ų15671%0.70979%0.786SS**  51.1120.794.9-62.4-160-159.783.50116.7
487D36.1Very low33.9Very low176 Ų176156.7 Ų156.794%0.94179%0.788SS**  -152.4155.6123.9-127.5-20.9000109.3
488E35.7Very low33.9Very low178 Ų178154.3 Ų154.383%0.83278%0.784SS**  trans-124.7128.5-156.4-179.8174-130.400113.6
489F35Very low33.9Very low208 Ų208157.8 Ų157.891%0.91279%0.786SS**  trans-158.5151.4142.8-137-93.8000112.4
490D34.9Very low33.8Very low127 Ų127158.7 Ų158.768%0.67979%0.789SS**  trans-109.8156.4-165.6-169.817.7000113.2
491E36.7Very low33.6Very low167 Ų167156 Ų15678%0.7879%0.787SS**  178.3120.3122.9-98.6-164.3154.200112
492N31.3Very low34.4Very low122 Ų122158.8 Ų158.865%0.65279%0.794SS**  trans48.4125.8151.9-73-37000120.8
493V37.2Very low33.9Very low117 Ų117157.1 Ų157.171%0.70980%0.795SS**  63.6121.662.2-1790000109.8
494E34Very low33.7Very low174 Ų174160.1 Ų160.181%0.81380%0.798SS**  cis-147.7171.140.6-122.5147.1-140.300109.6
495D33.1Very low33.3Very low150 Ų150161.7 Ų161.780%0.80280%0.8SS**  cis-146.1-179.8-4.8-167.514.3000109.9
496R30.4Very low32.9Very low216 Ų216161.3 Ų161.382%0.81580%0.802SS**  trans-112.4163.1-169.2-114.5177.9-178.7-179.52.8113
497V30.2Very low32.8Very low132 Ų132161 Ų16180%0.881%0.814SS**  trans68.5126.3157.4171.70000114
498S30.7Very low32.5Very low111 Ų111156 Ų15678%0.77680%0.803SS**  -156159.255.6-161.30000114.8
499R32Very low32.4Very low238 Ų238158.5 Ų158.590%0.89881%0.807SS**  trans-99.6126.9169.7-62.5-177.9-178.1-162.72.6109.7
500R28.5Very low32.4Very low252 Ų252159.8 Ų159.895%0.95181%0.806SS**  trans-157.2124.8147.7-120.9170.8-173.11612.4114.2
501A27.9Very low32.2Very low92 Ų92158.6 Ų158.676%0.7681%0.807SS**  trans-132.2169.6147.200000105.3
502P45.5Very low32.2Very low123 Ų123157.1 Ų157.180%0.79981%0.809SS**  cis-126.1178.8-0.642-28.3000113.5
503S26.5Very low32.7Very low123 Ų123156.2 Ų156.286%0.8681%0.813SS**  trans-151146.7146.655.10000108.7
504Y31.2Very low32.7Very low199 Ų199161.3 Ų161.378%0.7882%0.821SS**  trans-138.7118.3-173.9-158.2-68.3000108.5
505E28.7Very low33.5Very low193 Ų193159.1 Ų159.190%0.90281%0.805SS**  trans-152.7149.4166.6-141.7159.9-140.500111
506N33.2Very low34.2Very low127 Ų127154.4 Ų154.468%0.67978%0.784SS**  trans-113.2121.5-162-61.4-78.3000112.7
507V30.6Very low35.3Very low157 Ų157148.6 Ų148.695%0.95278%0.777SS**  trans-146.1140.1149.1-171.90000109.1
508G30.3Very low36.6Very low69 Ų69150.1 Ų150.171%0.71177%0.769SS**  trans118.959.1161.800000117.4R510G508-R510 PolarHBondContact O-N 2.78Å
509Y32.3Very low37.8Very low232 Ų232153.5 Ų153.591%0.9177%0.765SS**  trans-68101.8171.6-125.7-97.9000111.5
510R34.8Very low39.3Very low235 Ų235146.6 Ų146.689%0.88774%0.743SS**  trans-126.7100.4159-79.4-167178.6-91.21.1109.7G508 T512G508-R510 PolarHBondContact O-N 2.78Å; R510-T512 PolarHBondContact O-N 3.17Å; R510-T512 VanDerWaalsContact O-N 3.16Å
511S31.8Very low41Very low102 Ų102137.9 Ų137.971%0.71373%0.725SS**  trans-73.8102.8-174.5-172.90000112S513S511-S513 PolarHBondContact O-N 3.3Å
512T35.1Very low41.9Very low135 Ų135138.8 Ų138.883%0.82871%0.713SS**  trans-76.8107.8160.253.10000108.3R510 Y514R510-T512 PolarHBondContact O-N 3.17Å; R510-T512 VanDerWaalsContact O-N 3.16Å; T512-Y514 PolarHBondContact O-N 3.17Å; T512-Y514 VanDerWaalsContact O-N 3.17Å
513S42Very low42.1Very low104 Ų104141.3 Ų141.373%0.72771%0.708SS**  trans-68.1113.1-168.347.80000113.2S511 R515S511-S513 PolarHBondContact O-N 3.3Å; S513-R515 PolarHBondContact O-N 3.39Å
514Y37.9Very low43.6Very low223 Ų223140.6 Ų140.688%0.87570%0.7SS**  trans-68.888.9177.1-171.8-95000111T512 S516T512-Y514 PolarHBondContact O-N 3.17Å; T512-Y514 VanDerWaalsContact O-N 3.17Å; Y514-S516 PolarHBondContact O-N 2.95Å
515R51.4Low44.9Very low128 Ų128134.5 Ų134.548%0.48368%0.684SS.*  trans-81.899-176.8-153.3172.3-171.5-128.46.2110.3S513 S517 T525 D528S513-R515 PolarHBondContact O-N 3.39Å; R515-S517 PolarHBondContact O-N 3.3Å; R515-T525 PolarHBondContact NH2-OG1 2.83Å; R515-D528 IonicContact CZ-OD1 3.01Å; R515-D528 IonicContact CZ-OD2 2.73Å; R515-D528 VanDerWaalsContact NH1-CG 3.28Å; R515-D528 IonicContact NH1-OD1 2.81Å; R515-D528 PolarHBondContact NH1-OD1 3.17Å; R515-D528 IonicContact NH1-OD2 2.91Å; R515-D528 PolarHBondContact NH1-OD2 3.24Å; R515-D528 IonicContact NH2-OD1 3.95Å; R515-D528 IonicContact NH2-OD2 3.58Å; R515-D528 PolarHBondContact NH2-OD2 3.34Å
516S46.8Very low45.6Very low52 Ų52133.2 Ų133.236%0.36468%0.682SS.*  trans-57.8128.9-179.8176.30000112.5Y514 Y518 R519Y514-S516 PolarHBondContact O-N 2.95Å; S516-Y518 PolarHBondContact O-N 3.38Å; S516-Y518 PolarHBondContact OG-N 2.71Å; S516-R519 PolarHBondContact O-N 2.86Å
517S53.4Low46.5Very low94 Ų94135.3 Ų135.366%0.65769%0.687SS**Hα-helixtrans-56.6-32.7177.652.20000113.1R515 R519 Q520 A521R515-S517 PolarHBondContact O-N 3.3Å; S517-R519 VanDerWaalsContact C-N 3.28Å; S517-R519 PolarHBondContact O-N 2.4Å; S517-Q520 PolarHBondContact O-N 2.68Å; S517-Q520 VanDerWaalsContact O-N 3.17Å; S517-A521 PolarHBondContact O-N 3.04Å
518Y58.3Low47.7Very low164 Ų164129.3 Ų129.364%0.64365%0.65SS**Hα-helixtrans-59.8-36.1175.4-172.1-95.2000112.5S516 H522S516-Y518 PolarHBondContact O-N 3.38Å; S516-Y518 PolarHBondContact OG-N 2.71Å; Y518-H522 AromaticContact CD2-CD2 3.74Å; Y518-H522 AromaticContact CD2-NE2 3.98Å; Y518-H522 AromaticContact CE1-CD2 3.99Å; Y518-H522 AromaticContact CE2-CD2 3.53Å; Y518-H522 AromaticContact CE2-NE2 3.65Å; Y518-H522 AromaticContact CZ-CD2 3.67Å; Y518-H522 PolarHBondContact O-CD2 3.01Å; Y518-H522 VanDerWaalsContact O-CD2 3.27Å; Y518-H522 PolarHBondContact O-N 3.03Å
519R56.2Low48.5Very low181 Ų181130.9 Ų130.968%0.68364%0.639SS**Hα-helixtrans-70.9-38.6175.5-81.7-174.3172.2-113.43.6112S516 S517 A521 H522 Y523S516-R519 PolarHBondContact O-N 2.86Å; S517-R519 VanDerWaalsContact C-N 3.28Å; S517-R519 PolarHBondContact O-N 2.4Å; R519-A521 VanDerWaalsContact C-N 3.33Å; R519-A521 PolarHBondContact O-N 2.53Å; R519-H522 PolarHBondContact O-N 3.21Å; R519-Y523 CarbonylContact O-C 3.58Å; R519-Y523 WeakPolarHBondContact O-CA 3.4Å; R519-Y523 PolarHBondContact O-N 2.84Å
520Q62.5Low49.2Very low93 Ų93126.5 Ų126.544%0.43563%0.626SS.*Hα-helixtrans-68-31.5176.4-77.3-177.7-58.500113S517 D528S517-Q520 PolarHBondContact O-N 2.68Å; S517-Q520 VanDerWaalsContact O-N 3.17Å; Q520-D528 PolarHBondContact NE2-OD1 2.93Å; Q520-D528 VanDerWaalsContact NE2-OD1 3.16Å
521A64.6Low50.2Low70 Ų70119.7 Ų119.758%0.57961%0.611SS**Hα-helixtrans-73.2-27.1177.300000114S517 R519S517-A521 PolarHBondContact O-N 3.04Å; R519-A521 VanDerWaalsContact C-N 3.33Å; R519-A521 PolarHBondContact O-N 2.53Å
522H47.7Very low51Low110 Ų110121.6 Ų121.651%0.50961%0.609SS.*Hα-helixtrans-120.2-15.5-170.7-62.7-56.9000115.3Y518 R519Y518-H522 AromaticContact CD2-CD2 3.74Å; Y518-H522 AromaticContact CD2-NE2 3.98Å; Y518-H522 AromaticContact CE1-CD2 3.99Å; Y518-H522 AromaticContact CE2-CD2 3.53Å; Y518-H522 AromaticContact CE2-NE2 3.65Å; Y518-H522 AromaticContact CZ-CD2 3.67Å; Y518-H522 PolarHBondContact O-CD2 3.01Å; Y518-H522 VanDerWaalsContact O-CD2 3.27Å; Y518-H522 PolarHBondContact O-N 3.03Å; R519-H522 PolarHBondContact O-N 3.21Å
523Y48.2Very low51.7Low177 Ų177122.5 Ų122.569%0.69460%0.597SS**SBendtrans-139.675.8174.8-64.5-82.5000111.4R519R519-Y523 CarbonylContact O-C 3.58Å; R519-Y523 WeakPolarHBondContact O-CA 3.4Å; R519-Y523 PolarHBondContact O-N 2.84Å
524P58.6Low51.9Low107 Ų107125.2 Ų125.270%0.69560%0.595SS**  trans-62.4142.8174.3-19.933.2000111.8
525T58.8Low52.1Low72 Ų72124.2 Ų124.244%0.44259%0.59SS.*  trans-120146.2175.738.60000111.2R515 Q527 D528R515-T525 PolarHBondContact NH2-OG1 2.83Å; T525-Q527 PolarHBondContact O-N 3.46Å; T525-D528 WeakPolarHBondContact O-CB 3.34Å; T525-D528 PolarHBondContact O-N 3.01Å; T525-D528 PolarHBondContact OG1-OD2 3.34Å
526I42.8Very low51.7Low166 Ų166121.8 Ų121.885%0.85160%0.597SS**THydrogen-bonded Turntrans-52.9-27.9-169.6-70.1171.3000114.1D528I526-D528 PolarHBondContact O-N 3.48Å
527Q51.9Low51.6Low170 Ų170127.6 Ų127.679%0.79462%0.619SS**THydrogen-bonded Turntrans-70.6-23.2177.6-67.7178.6-17.900114.5T525 E529T525-Q527 PolarHBondContact O-N 3.46Å; Q527-E529 VanDerWaalsContact C-N 3.29Å; Q527-E529 PolarHBondContact O-N 3.24Å
528D55.6Low51.1Low32 Ų32127.5 Ų127.517%0.17162%0.618CS.*Hα-helixtrans-69.8-24.2-177-77.9-82.5000112.7R515 Q520 T525 I526 T531 Q532R515-D528 IonicContact CZ-OD1 3.01Å; R515-D528 IonicContact CZ-OD2 2.73Å; R515-D528 VanDerWaalsContact NH1-CG 3.28Å; R515-D528 IonicContact NH1-OD1 2.81Å; R515-D528 PolarHBondContact NH1-OD1 3.17Å; R515-D528 IonicContact NH1-OD2 2.91Å; R515-D528 PolarHBondContact NH1-OD2 3.24Å; R515-D528 IonicContact NH2-OD1 3.95Å; R515-D528 IonicContact NH2-OD2 3.58Å; R515-D528 PolarHBondContact NH2-OD2 3.34Å; Q520-D528 PolarHBondContact NE2-OD1 2.93Å; Q520-D528 VanDerWaalsContact NE2-OD1 3.16Å; T525-D528 WeakPolarHBondContact O-CB 3.34Å; T525-D528 PolarHBondContact O-N 3.01Å; T525-D528 PolarHBondContact OG1-OD2 3.34Å; I526-D528 PolarHBondContact O-N 3.48Å; D528-T531 PolarHBondContact O-N 3.08Å; D528-Q532 PolarHBondContact O-N 3.29Å
529E48Very low50.1Low101 Ų101123.3 Ų123.347%0.47262%0.618SS.*Hα-helixtrans-66.7-42.3-173.4-157.3-160.2152.100113.3Q527 T531 Q532 R533Q527-E529 VanDerWaalsContact C-N 3.29Å; Q527-E529 PolarHBondContact O-N 3.24Å; E529-T531 PolarHBondContact O-N 2.97Å; E529-Q532 PolarHBondContact O-N 2.84Å; E529-R533 PolarHBondContact O-N 3.45Å; E529-R533 VanDerWaalsContact O-N 3.16Å; E529-R533 IonicContact OE1-CZ 2.67Å; E529-R533 IonicContact OE1-NE 3.45Å; E529-R533 PolarHBondContact OE1-NE 3.04Å; E529-R533 IonicContact OE1-NH2 2.68Å; E529-R533 PolarHBondContact OE1-NH2 3.04Å
530H47.3Very low49.4Very low140 Ų140123.4 Ų123.465%0.64863%0.625SS**Hα-helixtrans-61.8-31.3179.9-111.268.7000112.6
531T54.4Low47.8Very low93 Ų93124.3 Ų124.357%0.57164%0.642SS**Hα-helixtrans-76.6-35.2-179.1-50.20000111.5D528 E529 R535D528-T531 PolarHBondContact O-N 3.08Å; E529-T531 PolarHBondContact O-N 2.97Å; T531-R535 PolarHBondContact O-N 3.3Å
532Q50Low46.2Very low141 Ų141129.4 Ų129.466%0.65966%0.658SS**Hα-helixtrans-70-42.8176-67.7-171.71.300112.1D528 E529 K534 R535 A536D528-Q532 PolarHBondContact O-N 3.29Å; E529-Q532 PolarHBondContact O-N 2.84Å; Q532-K534 VanDerWaalsContact C-N 3.3Å; Q532-K534 PolarHBondContact O-N 3.37Å; Q532-R535 PolarHBondContact O-N 3.49Å; Q532-A536 PolarHBondContact O-N 3.35Å
533R48.8Very low45.3Very low155 Ų155129.3 Ų129.359%0.58567%0.669SS**Hα-helixtrans-55.7-42.5177.5-69.3-178.2-178.1-1524.8112.2E529E529-R533 PolarHBondContact O-N 3.45Å; E529-R533 VanDerWaalsContact O-N 3.16Å; E529-R533 IonicContact OE1-CZ 2.67Å; E529-R533 IonicContact OE1-NE 3.45Å; E529-R533 PolarHBondContact OE1-NE 3.04Å; E529-R533 IonicContact OE1-NH2 2.68Å; E529-R533 PolarHBondContact OE1-NH2 3.04Å
534K47.2Very low44.4Very low160 Ų160127 Ų12770%0.69667%0.674SS**Hα-helixtrans-68.5-32.2176.1-71.3-170.6176.4-173.50113.9Q532Q532-K534 VanDerWaalsContact C-N 3.3Å; Q532-K534 PolarHBondContact O-N 3.37Å
535R42.5Very low43Very low202 Ų202129.4 Ų129.476%0.76268%0.681SS**Hα-helixtrans-73.2-36.4177.4-172.4172.5-70.3-162.4-2.2112.4T531 Q532 Q537 S538T531-R535 PolarHBondContact O-N 3.3Å; Q532-R535 PolarHBondContact O-N 3.49Å; R535-Q537 VanDerWaalsContact C-N 3.33Å; R535-Q537 PolarHBondContact O-N 2.87Å; R535-S538 PolarHBondContact O-N 2.96Å
536A42.9Very low41.7Very low77 Ų77133.2 Ų133.264%0.63670%0.699SS**Hα-helixtrans-62.8-36.6-179.400000113.1Q532 S538Q532-A536 PolarHBondContact O-N 3.35Å; A536-S538 PolarHBondContact O-N 2.88Å
537Q43.4Very low40.9Very low174 Ų174129.1 Ų129.181%0.81370%0.698SS**THydrogen-bonded Turntrans-74.2-9.5179.3-67.8179.2-27.100114.1R535R535-Q537 VanDerWaalsContact C-N 3.33Å; R535-Q537 PolarHBondContact O-N 2.87Å
538S43.3Very low39.8Very low93 Ų93125.2 Ų125.265%0.6570%0.695SS**THydrogen-bonded Turntrans-94-6.6-175.8-165.60000114.1R535 A536R535-S538 PolarHBondContact O-N 2.96Å; A536-S538 PolarHBondContact O-N 2.88Å
539A38.2Very low38.7Very low76 Ų76130.9 Ų130.963%0.62873%0.73SS**SBendtrans-90.55.3-167.500000115.2
540H40.7Very low37.8Very low182 Ų182129.6 Ų129.684%0.84374%0.744SS**SBendtrans-125.549.9-175.9-74.3-8.1000112.6
541S28.9Very low37Very low112 Ų112133.9 Ų133.978%0.78376%0.755SS**  trans-141.192.9167.3-58.30000109.4
542I30.6Very low35.6Very low177 Ų177135.2 Ų135.291%0.90876%0.763SS**PPolyproline II helixtrans-90128.4162.5-68.2178.2000106.5
543S28.5Very low34.5Very low108 Ų108133.4 Ų133.476%0.75577%0.766SS**PPolyproline II helixtrans-75.2136.9-173.1-146.50000111.8
544T29.1Very low33.4Very low128 Ų128131 Ų13179%0.78577%0.769SS**PPolyproline II helixtrans-77.814113847.70000107.9
545D30.5Very low32.3Very low159 Ų159134 Ų13485%0.8578%0.777SS**PPolyproline II helixtrans-84.1160178.3-158.21.5000111.5
546N31.4Very low31.6Very low151 Ų151129.2 Ų129.281%0.80778%0.775SS**  trans-107122.3-163.6-110.9-23.8000113.8
547G24.8Very low31Very low81 Ų81131.5 Ų131.584%0.83578%0.78SS**  trans-9295.5167.400000111.7
548A28.9Very low30.7Very low88 Ų88128.9 Ų128.973%0.72778%0.778SS**  trans-28.3132.9-173.800000119.6
549T32.9Very low30.1Very low150 Ų150131.3 Ų131.392%0.9278%0.783SS**  -175160.3118.3240000111.7
550G29Very low29.8Very low74 Ų74135 Ų13576%0.76379%0.792SS**  trans9456.3146.500000121.2
551R30.2Very low29.3Very low231 Ų231133.6 Ų133.687%0.87279%0.791SS**  trans29.3118.6140.3-89.5-175.8175.5171.7-1.4121.4
552T26.6Very low29.2Very low121 Ų121133.2 Ų133.274%0.74280%0.795SS**  57.2120.9129.9590000120.3
553S25.8Very low29.2Very low103 Ų103129 Ų12972%0.7279%0.786SS**  77.1140.789.4-149.40000113.2
554T25.3Very low29.3Very low105 Ų105132.8 Ų132.864%0.64479%0.792SS**  cis-165.4136.521.3-24.60000109.8
555Y25.9Very low29.3Very low222 Ų222133.9 Ų133.987%0.87179%0.786SS**  trans57161.2148.2-78.8-130.8000119
556S27.7Very low29.1Very low102 Ų102133.5 Ų133.571%0.71378%0.777SS**  cis-162.3158.6-16.443.20000110.2
557V29.5Very low29Very low125 Ų125135.7 Ų135.776%0.75877%0.774SS**  trans-73152.4175-149.10000111.3
558P36.8Very low29.1Very low119 Ų119136.8 Ų136.877%0.77376%0.757SS**  -142.1171.2105.938-24.2000115.1
559L31.7Very low29.3Very low144 Ų144142.6 Ų142.675%0.75476%0.762SS**  trans-80.5161175.8-7367.6000111.7
560N30.3Very low29.2Very low152 Ų152140.6 Ų140.681%0.81375%0.746SS**  -170.2172.5114.2-103.88.5000115
561D30.1Very low29.4Very low154 Ų154148.5 Ų148.582%0.82475%0.754SS**  trans-55.1147.3-174.6-61.5-66.4000116.5
562A28.5Very low29.7Very low103 Ų103143.3 Ų143.385%0.85174%0.744SS**  -157.9147.7119.500000110.7
563A30.3Very low30Very low89 Ų89144.9 Ų144.974%0.73675%0.748SS**  trans-115.7173.816700000109.6
564Q30.7Very low30.7Very low187 Ų187148.1 Ų148.187%0.87475%0.751SS**  trans95.4151.9-179.3-58.6179.94600115.2
565K28.9Very low31.4Very low151 Ų151151.2 Ų151.266%0.65776%0.759SS**  cis-176.9165.9-24.9-169.8171.1175-174.10107.8
566F26Very low31.8Very low152 Ų152146.6 Ų146.667%0.66775%0.749SS**  trans74.7124.9170.9-60.9-69.3000114.9
567R29.1Very low32Very low196 Ų196146.2 Ų146.274%0.7475%0.746SS**  88.1149.894.3-87.9-178.1151.2-163.3-24113.1
568E27.5Very low32.1Very low105 Ų105146 Ų14649%0.49175%0.745SS.*  cis-152.7-163.3-5.7-146.9132.7-141.500107.8
569Y31.8Very low32.7Very low209 Ų209146 Ų14682%0.8275%0.745SS**  trans79.965.7171.2-59.4-73000117.7
570D30.9Very low32.6Very low108 Ų108144.3 Ų144.358%0.57874%0.741SS**  30.4132.192.8-33.5-46.2000118.6
571Y34.4Very low32.5Very low240 Ų240144.9 Ų144.994%0.94174%0.741SS**  trans-149123.8137.6-133.6-74.2000108
572D34.9Very low32.4Very low123 Ų123143.9 Ų143.966%0.65874%0.735SS**  trans-96.6160.7-170.4-58.8-69000113.8
573D34.8Very low32.4Very low154 Ų154146 Ų14682%0.82473%0.732SS**  trans151.9104.1150.1-83.1-16.5000106.3
574E39.8Very low32.7Very low170 Ų170147.3 Ų147.379%0.79473%0.733SS**  63.5138.962.5-53.4-71.2-151.800112.6
575E40.1Very low32.5Very low171 Ų171142.1 Ų142.180%0.79972%0.717SS**  cis-132.8-168.25.2-144.7-179.4-162.600106.7
576D34.2Very low32.5Very low124 Ų124143.4 Ų143.466%0.66373%0.725SS**  cis-161.9168.37.8173.738.4000110.3
577S31.6Very low32.6Very low95 Ų95142.5 Ų142.566%0.66473%0.726SS**  trans73.5102.6150.4-84.10000122.1
578T32.1Very low32.6Very low119 Ų119139.6 Ų139.673%0.7372%0.724SS**  trans-95-166.5152.468.90000109.4
579P48.1Very low32.6Very low119 Ų119141.5 Ų141.577%0.77374%0.738SS**  cis-118.3164.335.11313.4000113.2
580T29.7Very low32.5Very low109 Ų109137.8 Ų137.867%0.66974%0.737SS**  cis84.7113.236.8-52.20000114.9
581M28.9Very low32.4Very low165 Ų165143.5 Ų143.581%0.81375%0.75SS**  trans-155.6106.3146.2-115.9-154.284.300112.3
582D28.1Very low32.1Very low132 Ų132142 Ų14271%0.70674%0.743SS**  trans55.5135.4139.3-54.1-12.9000124.5
583L27.8Very low31.7Very low149 Ų149143 Ų14378%0.7875%0.747SS**  trans-129.7152.3167.7-163.378.2000107.1
584P37.3Very low31.2Very low116 Ų116142.1 Ų142.175%0.75375%0.748SS**  -144.4132.4110.332.7-16.9000112.3
585S27.6Very low30.6Very low77 Ų77138.8 Ų138.854%0.53874%0.743SS.*  cis73.9104.347.981.60000115.5
586H27.7Very low29.9Very low178 Ų178135.1 Ų135.182%0.82474%0.736SS**  trans179.3143.5146.5-85.4-62000107.9
587L29.1Very low29.5Very low133 Ų133136.7 Ų136.770%0.69674%0.743SS**  cis-167168-20.6-119.2-176.5000108.5
588I29.3Very low29.3Very low135 Ų135136.3 Ų136.369%0.69274%0.741SS**  trans67.3135.4154.2-73.1162.5000116.8
589N27.2Very low29Very low146 Ų146135.9 Ų135.978%0.78174%0.741SS**  cis-152.2162.2-4.5-119.4-7.3000110.6
590V28.9Very low28.1Very low131 Ų131138.7 Ų138.779%0.79474%0.744SS**  trans-140.2155.6176.6-174.50000110.9
591R28.9Very low28.2Very low228 Ų228137.9 Ų137.986%0.8675%0.748SS**  trans94150.3176.2-56.2176.2174.6162.90.1113.5
592R28.5Very low28.2Very low209 Ų209133.8 Ų133.879%0.78975%0.748SS**  cis-161.6160.415.7-144.1-178.1-171.1-1763.2112.7
593L25.4Very low28.2Very low143 Ų143137.5 Ų137.575%0.74976%0.759SS**  trans66.7164.5159.8-54-175.8000117.8
594T25.2Very low28.2Very low136 Ų136135.3 Ų135.383%0.83476%0.762SS**  cis-130.8-176.1-3.9200000111.1
595S26.7Very low27.8Very low99 Ų99136.4 Ų136.469%0.69277%0.767SS**  trans-103.7164.2-174.155.70000116.5
596S26.1Very low28.1Very low95 Ų95137.7 Ų137.766%0.66478%0.782SS**  trans82.9148.2139.275.20000122
597I26Very low28.1Very low157 Ų157135 Ų13581%0.80578%0.783SS**  trans71.5140.7154.7-69.2160000116.7
598S26.7Very low28.2Very low87 Ų87136.5 Ų136.561%0.60879%0.791SS**  cis-168.5174.8-26.365.20000109.3
599C26.2Very low28.3Very low110 Ų110137.1 Ų137.174%0.74380%0.796SS**  trans67158.5159.4-72.50000117.9
600Q28.4Very low28.5Very low178 Ų178140.7 Ų140.783%0.83280%0.798SS**  cis-161.7142-21.8168.9169.1-7.100108.2
601A32.8Very low28.6Very low92 Ų92146 Ų14676%0.7680%0.804SS**  trans-80.6131.6-179.100000112
602G28.1Very low28.6Very low79 Ų79145.2 Ų145.281%0.81480%0.802SS**  trans-118.1104.9174.400000111.9
603F27.7Very low28.6Very low210 Ų210141.3 Ų141.392%0.92181%0.807SS**  trans-83.7134.1163.4-80.4-94.5000109.3
604A28.5Very low28.8Very low102 Ų102143 Ų14384%0.84381%0.809SS**  trans-111.612417100000110
605T29.5Very low29Very low140 Ų140143.4 Ų143.486%0.85981%0.805SS**  trans-81.5153.8175.4470000111.6
606A33.4Very low29Very low103 Ų103146.1 Ų146.185%0.85181%0.812SS**  trans-68.8158.5-178.100000113.6
607S27.9Very low29Very low123 Ų123145.3 Ų145.386%0.8682%0.818SS**  trans-143.3145150.9-162.90000110.9
608L31.1Very low29.1Very low164 Ų164141.2 Ų141.286%0.85982%0.815SS**  trans-99.8144.4169.6-103.5161.5000108
609D30.9Very low29.2Very low148 Ų148148 Ų14879%0.79183%0.827SS**  trans-147.8155151.5-157.74.8000111.6
610R32.2Very low29.4Very low220 Ų220148.8 Ų148.883%0.8382%0.823SS**  trans-102.1136.7-179.9-71.5176.1167.9-176-3.7110.4
611R30.6Very low29.5Very low242 Ų242145.3 Ų145.391%0.91382%0.818SS**  trans-131.9139.7146.5-79.5-160.2-81-105.94.7111.6
612Y29.2Very low29.4Very low212 Ų212146.2 Ų146.283%0.83182%0.819SS**  trans-101139.2-179.3-131.7-102.3000108.4
613S29Very low29.4Very low128 Ų128146.4 Ų146.490%0.89582%0.822SS**  trans-161.2159.1162.4-104.50000110.2
614K28.4Very low29.5Very low179 Ų179140.2 Ų140.278%0.77882%0.817SS**  trans-129163.9-169-96.1-170.3177-176.40112.5
615L28.8Very low29.6Very low143 Ų143139.6 Ų139.675%0.74982%0.82SS**  trans82.6137.5149.6-77.7153.3000121
616N27.9Very low29.7Very low156 Ų156136.3 Ų136.383%0.83482%0.815SS**  trans64.5152.8158.2-59.3-11.2000118.9
617G26.7Very low29.8Very low78 Ų78136.6 Ų136.680%0.80481%0.81SS**  cis156.5142.7-9.300000113.4
618G26.4Very low30Very low71 Ų71137.4 Ų137.473%0.73281%0.805SS**  trans105.3138.6-176.800000112.7
619R29.9Very low30.2Very low231 Ų231136.7 Ų136.787%0.87280%0.802SS**  cis73.7137.543.2-66.7-170163.4-138.10.3113.1
620L30.9Very low30.2Very low125 Ų125135.2 Ų135.265%0.65480%0.798SS**  cis-167.5164.2-7-115.5171.5000109.9
621S28.9Very low30.2Very low105 Ų105129.6 Ų129.673%0.73479%0.788SS**  trans65.5161.2152.2-750000119.9
622S30.6Very low30.3Very low111 Ų111127.7 Ų127.778%0.77678%0.781SS**  cis-171.1147.8-19.349.50000113.2
623G29.7Very low30.5Very low84 Ų84124.1 Ų124.187%0.86677%0.772SS**  trans79159.614600000118.9
624G29.9Very low30.5Very low80 Ų80124.4 Ų124.483%0.82576%0.763SS**  cis162.7146.1-10.500000114.7
625G30.6Very low30.5Very low88 Ų88121.1 Ų121.191%0.90776%0.758SS**  trans81.7154.8175.400000115.8
626G30.9Very low30.5Very low72 Ų72119.6 Ų119.674%0.74276%0.755SS**  cis156.8146.7-11.300000113.3
627S35.5Very low30.7Very low109 Ų109117.4 Ų117.476%0.76275%0.747SS**  cis-116.5-92.6-15-10.10000112.8
628D31Very low30.8Very low139 Ų139124.4 Ų124.474%0.74375%0.749SS**  cis-162.7153.1-16-61.7-72.5000106.1
629D36.3Very low31.2Very low150 Ų150127.8 Ų127.880%0.80275%0.749SS**  cis-160.1-167.7-34.4-172.117000107.9
630V31.2Very low31Very low117 Ų117123.3 Ų123.371%0.70975%0.748SS**  trans10091.2168.5-171.40000116.7
631V32.2Very low31.1Very low102 Ų102122.5 Ų122.562%0.61875%0.748SS**  47.1124.9125.3174.40000118.5
632R31.7Very low31.3Very low201 Ų201126.4 Ų126.476%0.75875%0.752SS**  cis-168.6-179.4-0.6-108.1-179.7-132165.14.7106
633Q34Very low31.7Very low138 Ų138127.2 Ų127.265%0.64576%0.755SS**  cis-157.5158.99-137.2163.8-118.200111.1
634N28.4Very low31.7Very low134 Ų134129.6 Ų129.672%0.71775%0.752SS**  trans21142.8139-62.611.4000121.6
635V29.9Very low31.6Very low109 Ų109129.9 Ų129.966%0.66175%0.747SS**  cis-158.9130.79.1118.90000107.6
636T28.5Very low31.4Very low112 Ų112131.6 Ų131.669%0.68774%0.74SS**  73.7136.275.1-82.60000113.5
637T30.8Very low31.3Very low110 Ų110133.7 Ų133.768%0.67574%0.743SS**  cis-155.1-167.7-18.241.60000106.7
638R28.4Very low30.9Very low224 Ų224133.5 Ų133.585%0.84575%0.748SS**  cis-158178.99.3-144162.8-160.4-164.85111.3
639I35.2Very low30.9Very low142 Ų142131.9 Ų131.973%0.72875%0.754SS**  trans-110145.8167.2-61.1157.8000108.3T641I639-T641 HydrophobicContact CG2-CG2 4.44Å
640T27Very low30.5Very low138 Ų138130.5 Ų130.585%0.84775%0.751SS**  trans-147.2162.3155.946.70000111.3
641T32.2Very low30.4Very low107 Ų107131.5 Ų131.566%0.65676%0.757SS**  trans-146.8135.8-167.952.80000113.5I639I639-T641 HydrophobicContact CG2-CG2 4.44Å
642F33.6Very low30.3Very low187 Ų187133.3 Ų133.382%0.8276%0.762SS**  trans61.5150.4165.7-62.4-66.9000117.5
643P38.3Very low30.3Very low129 Ų129131.8 Ų131.884%0.83877%0.768SS**  -130.5-171.28240.4-30.1000114.6
644V30Very low30.1Very low133 Ų133130.9 Ų130.981%0.80678%0.777SS**  trans-127.6135.3-179169.40000109.9
645A27.7Very low30.2Very low87 Ų87128.2 Ų128.272%0.71978%0.781SS**  trans-168.1115.8157.800000115.1
646T26.7Very low30.3Very low124 Ų124132.2 Ų132.276%0.76179%0.79SS**  trans34.1120.6136.4530000124.4
647S29Very low30.6Very low116 Ų116133.1 Ų133.181%0.81180%0.797SS**  94.6135.2117.4-640000124
648A27.6Very low30.6Very low105 Ų105138.9 Ų138.987%0.86881%0.808SS**  trans69.8110.1147.200000121.7
649A29.5Very low30.6Very low104 Ų104133.4 Ų133.486%0.8680%0.804SS**  -160.2146.5119.100000110.4
650T28.7Very low30.6Very low122 Ų122131.4 Ų131.475%0.74881%0.809SS**  trans-107.9135.9179.9-58.30000110.6I652T650-I652 HydrophobicContact CG2-CD1 4.44Å; T650-I652 HydrophobicContact CG2-CG1 4.01Å
651V29.5Very low31.1Very low137 Ų137129.7 Ų129.783%0.8380%0.802SS**  trans-132.4120155.6-179.30000108.7
652I30.2Very low31Very low141 Ų141133.6 Ų133.672%0.72381%0.813SS**  trans-97.5130170.7-64.9168.7000107.6T650T650-I652 HydrophobicContact CG2-CD1 4.44Å; T650-I652 HydrophobicContact CG2-CG1 4.01Å
653L31.6Very low31.1Very low169 Ų169132.9 Ų132.989%0.88582%0.817SS**  trans-134.3137.8153-82.9-179.7000110.1
654S30.3Very low30.9Very low119 Ų119132.5 Ų132.583%0.83282%0.815SS**  trans-104140.3-171.351.50000111.6
655G29.4Very low31.2Very low78 Ų78138 Ų13880%0.80482%0.821SS**  trans-156125.2173.500000110.6
656K32.3Very low31.5Very low193 Ų193143.6 Ų143.684%0.83983%0.83SS**PPolyproline II helixtrans-89.1150176.3-68.3178.3-179.4176.30110
657P34.7Very low31.8Very low131 Ų131146 Ų14685%0.85183%0.832SS**PPolyproline II helixtrans-69.3146.1175.830.3-35.4000111.2
658Y31Very low32.4Very low231 Ų231146 Ų14691%0.90683%0.829SS**PPolyproline II helixtrans-103.9157.7172.2-101.1-83.5000112.4
659S29.4Very low33.2Very low109 Ų109146.7 Ų146.776%0.76283%0.825SS**PPolyproline II helixtrans-75157.8-169.6-163.80000113.9
660A34.8Very low33.6Very low99 Ų99147.1 Ų147.182%0.81882%0.819SS**  trans-91.6106174.200000111.1
661S36.1Very low34.2Very low102 Ų102147.4 Ų147.471%0.71382%0.823SS**  trans-160.857.6173.662.60000114.4
662E30.5Very low34.6Very low190 Ų190147.8 Ų147.889%0.88883%0.825SS**  trans-158.8130.6158.6-120.5164.9-155.600111.7
663L35.5Very low34.7Very low171 Ų171145.4 Ų145.490%0.89583%0.827SS**  trans-138.4111.7177-79.6176.3000110
664P35.5Very low34.7Very low121 Ų121149.5 Ų149.579%0.78683%0.83SS**PPolyproline II helixtrans-70.7136.417128.3-32.5000110.9
665R34.9Very low34.7Very low248 Ų248149.7 Ų149.794%0.93683%0.826SS**PPolyproline II helixtrans-82117.6-172.9-160.9-175.6-140.8156.73.3110.3
666F33.6Very low34.8Very low206 Ų206151.6 Ų151.690%0.90482%0.823SS**PPolyproline II helixtrans-71.4139.5176.9-108.2-88.7000112.3
667Q33.8Very low34.8Very low173 Ų173151.6 Ų151.681%0.80883%0.825SS**  trans-120.1137.4179.5-170.1175.810.300109.1
668P42.5Very low34.7Very low116 Ų116153.6 Ų153.675%0.75383%0.825SS**PPolyproline II helixtrans-75.7146.4-177.930.1-34.7000112.4
669P43.3Very low35.6Very low121 Ų121147.6 Ų147.679%0.78682%0.815SS**PPolyproline II helixtrans-80.3154.8-178.232.8-36000113.5
670P39.2Very low35.6Very low112 Ų112153.9 Ų153.973%0.72782%0.822SS**PPolyproline II helixtrans-80.1158.2178.433.5-36.1000113.4
671P40.4Very low35.3Very low129 Ų129151.8 Ų151.884%0.83881%0.81SS**PPolyproline II helixtrans-76.6145.4177.131.8-35.1000112.8
672V37.7Very low35Very low145 Ų145152.5 Ų152.588%0.87982%0.815SS**PPolyproline II helixtrans-90.4133.3-179.7179.50000111.2
673A31.4Very low34.8Very low91 Ų91151.1 Ų151.175%0.75281%0.813SS**PPolyproline II helixtrans-76.8159.117900000113.4
674R31.8Very low35.1Very low254 Ų254148.2 Ų148.296%0.95880%0.804SS**  trans-129.5132.9179.1-150178.5-165.9175.34.1109.3
675V30.4Very low35.8Very low124 Ų124146.8 Ų146.875%0.75280%0.795SS**  trans-118.4115-162171.10000112.9
676T31.8Very low35.5Very low118 Ų118145.4 Ų145.472%0.72479%0.791SS**  trans40.5130.1152.363.10000122.6
677H33Very low35.3Very low193 Ų193140.9 Ų140.989%0.89479%0.785SS**  -151.3166.4104.333.9-79.3000111.6
678M32.1Very low35Very low172 Ų172138 Ų13885%0.84778%0.784SS**  trans-155.5-174.3-162.6-102.4-69.5172.300108.6
679P49.4Very low34.3Very low106 Ų106137.3 Ų137.369%0.68879%0.788SS**  cis-107.4-154.97.445.9-35.6000112.2
680R30Very low33.6Very low240 Ų240137.1 Ų137.191%0.90679%0.785SS**  cis-151.9171.613.1-129170.5-172.3166.41.7107.5
681G27.6Very low33.2Very low56 Ų56140.6 Ų140.658%0.57779%0.794SS**  cis-178.4-1575.700000111.3
682S30Very low32.6Very low116 Ų116138.4 Ų138.481%0.81180%0.795SS**  trans25.688.1164.455.50000118.1
683L27.7Very low32.4Very low162 Ų162135.9 Ų135.985%0.84879%0.789SS**  48.5147.768.3-66.5-178.1000115.5
684P41.3Very low32.3Very low110 Ų110141.2 Ų141.271%0.71480%0.799SS**  cis-142.6-138.2-15.434.5-8.6000113
685P50.2Low32.4Very low91 Ų91134.4 Ų134.459%0.59179%0.79SS**  -129.5-173.9-72.531.1-10.7000116.6
686Y28.2Very low33.2Very low218 Ų218133.8 Ų133.886%0.85579%0.788SS**  trans79146.1158.8-65.7-55.2000119.3
687S28.8Very low33Very low112 Ų112132.6 Ų132.678%0.78379%0.79SS**  cis-154.5169.5-10.250.80000112.7
688S27.7Very low33.2Very low111 Ų111129 Ų12978%0.77679%0.785SS**  trans-97.2153.1-17653.90000114.9
689A28.6Very low33.6Very low103 Ų103126.7 Ų126.785%0.85178%0.782SS**  trans-148.1159.5152.800000110.6
690T29.1Very low33Very low116 Ų116127.5 Ų127.571%0.71279%0.787SS**  trans-148.7167.2-158.9-39.20000112.4
691M30.7Very low33.3Very low185 Ų185124.5 Ų124.591%0.91179%0.789SS**  trans87.6148.4164.8-54.4-61.4-169.100118.4
692G27.8Very low33.5Very low84 Ų84125.4 Ų125.487%0.86680%0.798SS**  trans135.691.3167.400000114.2
693A33.9Very low33.8Very low92 Ų92130.1 Ų130.176%0.7680%0.804SS**  trans-126.5131176.800000112.1
694Q28.9Very low34Very low203 Ų203130 Ų13095%0.94980%0.804SS**  trans-170.4162.2163.5-114155.39100112.6
695S32.4Very low33.8Very low110 Ų110130.6 Ų130.677%0.76981%0.808SS**  trans-171.4162.4-178.2-159.40000107.5
696P48.4Very low33.6Very low111 Ų111131.6 Ų131.672%0.72181%0.812SS**  cis-136.5-171.37.443.3-25.8000116.3
697A27.5Very low34.7Very low93 Ų93125.3 Ų125.377%0.76979%0.793SS**  trans74166.3158.600000119.2
698P36.5Very low35.9Very low119 Ų119124.8 Ų124.877%0.77379%0.787SS**  cis-117.1179.8-41.136-21.1000112
699P40.8Very low37Very low122 Ų122126.3 Ų126.379%0.79278%0.782SS**PPolyproline II helixtrans-95.4151.6-162.536.2-35.6000116.6
700P37.7Very low38Very low123 Ų123127.3 Ų127.380%0.79977%0.771SS**PPolyproline II helixtrans-96.1152162.736.3-31.5000112.9
701N35.3Very low39.4Very low178 Ų178127.8 Ų127.895%0.95277%0.765SS**PPolyproline II helixtrans-75134.4174.1-76-61.6000112
702G31.1Very low41Very low74 Ų74121.7 Ų121.776%0.76374%0.744SS**  trans-146.2123.1171.900000111.5
703K36.2Very low42.4Very low216 Ų216122.6 Ų122.694%0.93973%0.728SS**PPolyproline II helixtrans-81.9131.3179-63176.8-178.4177.10110.1
704L33Very low43.8Very low160 Ų160123.9 Ų123.984%0.83872%0.722SS**PPolyproline II helixtrans-90.6152.6166.2-82.2163.5000110.4
705P36.8Very low45.5Very low122 Ų122117.3 Ų117.379%0.79270%0.698SS**PPolyproline II helixtrans-75136.2-166.529.1-35.4000113.2
706T46.6Very low47.3Very low112 Ų112118.7 Ų118.769%0.68769%0.688SS**PPolyproline II helixtrans-79.1138.8170.437.10000111.2P708T706-P708 WeakPolarHBondContact O-CD 3.44Å
707N50.6Low47.9Very low85 Ų85120 Ų12046%0.45568%0.679SS.*PPolyproline II helixtrans-75.3121.7174178.1-17.3000109.7Q709 M710N707-Q709 PolarHBondContact O-N 3.26Å; N707-Q709 VanDerWaalsContact O-N 3.11Å; N707-Q709 WeakPolarHBondContact OD1-CB 3.5Å; N707-Q709 PolarHBondContact OD1-N 3.2Å; N707-M710 WeakPolarHBondContact O-CB 3.44Å; N707-M710 PolarHBondContact O-N 3.31Å
708P55.3Low49.8Very low102 Ų102122.6 Ų122.666%0.66267%0.673SS**Hα-helixtrans-54.9-30.9-179.1-27.735.8000114.8T706 M710 E711 A712T706-P708 WeakPolarHBondContact O-CD 3.44Å; P708-M710 VanDerWaalsContact C-N 3.28Å; P708-M710 PolarHBondContact O-N 3.11Å; P708-E711 PolarHBondContact O-N 3.35Å; P708-A712 WeakPolarHBondContact O-CB 3.46Å; P708-A712 PolarHBondContact O-N 3.26Å
709Q49.3Very low51.3Low143 Ų143122.3 Ų122.367%0.66866%0.662SS**Hα-helixtrans-67.1-28.7178.1-65.1-175-55.300112.9N707 L713N707-Q709 PolarHBondContact O-N 3.26Å; N707-Q709 VanDerWaalsContact O-N 3.11Å; N707-Q709 WeakPolarHBondContact OD1-CB 3.5Å; N707-Q709 PolarHBondContact OD1-N 3.2Å; Q709-L713 PolarHBondContact O-N 3.45Å
710M50.6Low52.3Low124 Ų124120.4 Ų120.461%0.61164%0.642SS**Hα-helixtrans-74.4-37.2178.7-167.4175.5-68.500111.2N707 P708 L713 L714N707-M710 WeakPolarHBondContact O-CB 3.44Å; N707-M710 PolarHBondContact O-N 3.31Å; P708-M710 VanDerWaalsContact C-N 3.28Å; P708-M710 PolarHBondContact O-N 3.11Å; M710-L713 PolarHBondContact O-N 3.12Å; M710-L714 HydrophobicContact CG-CD1 4.4Å; M710-L714 WeakPolarHBondContact O-CB 3.5Å; M710-L714 WeakPolarHBondContact O-CG 3.21Å; M710-L714 PolarHBondContact O-N 3.23Å
711E59.1Low53.3Low125 Ų125120.7 Ų120.758%0.58463%0.633SS**Hα-helixtrans-73.2-34.2175.5-159.4159.6-142.800111.7P708 L714 S715P708-E711 PolarHBondContact O-N 3.35Å; E711-L714 PolarHBondContact O-N 3.18Å; E711-S715 VanDerWaalsContact O-CB 3.32Å; E711-S715 WeakPolarHBondContact O-CB 3.23Å; E711-S715 PolarHBondContact O-N 2.62Å; E711-S715 PolarHBondContact O-OG 3.12Å
712A64.1Low54.3Low57 Ų57118.6 Ų118.647%0.47162%0.617SS.*Hα-helixtrans-61.2-42.9167.600000112.6P708 S715 Y716P708-A712 WeakPolarHBondContact O-CB 3.46Å; P708-A712 PolarHBondContact O-N 3.26Å; A712-S715 WeakPolarHBondContact CA-OG 3.39Å; A712-S715 PolarHBondContact O-OG 3.46Å; A712-Y716 WeakPolarHBondContact O-CB 3.29Å; A712-Y716 PolarHBondContact O-N 3.12Å
713L57.3Low55.3Low103 Ų103120.7 Ų120.754%0.53961%0.607SS.*Hα-helixtrans-66.6-43.7175.1-92.3161.9000112.8Q709 M710 Y716 Y717Q709-L713 PolarHBondContact O-N 3.45Å; M710-L713 PolarHBondContact O-N 3.12Å; L713-Y716 PolarHBondContact O-N 2.77Å; L713-Y717 HydrophobicContact CD2-CE2 4.29Å; L713-Y717 WeakPolarHBondContact O-CD2 3.38Å; L713-Y717 PolarHBondContact O-N 3.27Å; L713-Y717 VanDerWaalsContact O-N 3.08Å
714L62.9Low56Low120 Ų120116.6 Ų116.663%0.62859%0.591SS**Hα-helixtrans-64.8-39.9178-76.2165.5000112.2M710 E711 K718M710-L714 HydrophobicContact CG-CD1 4.4Å; M710-L714 WeakPolarHBondContact O-CB 3.5Å; M710-L714 WeakPolarHBondContact O-CG 3.21Å; M710-L714 PolarHBondContact O-N 3.23Å; E711-L714 PolarHBondContact O-N 3.18Å; L714-K718 VanDerWaalsContact O-CB 3.29Å; L714-K718 WeakPolarHBondContact O-CB 3.09Å; L714-K718 PolarHBondContact O-N 2.97Å
715S63.8Low56.7Low65 Ų65116 Ų11646%0.45558%0.584SS.*Hα-helixtrans-68.8-39.6175.653.70000112.3E711 A712 K718 Q719E711-S715 VanDerWaalsContact O-CB 3.32Å; E711-S715 WeakPolarHBondContact O-CB 3.23Å; E711-S715 PolarHBondContact O-N 2.62Å; E711-S715 PolarHBondContact O-OG 3.12Å; A712-S715 WeakPolarHBondContact CA-OG 3.39Å; A712-S715 PolarHBondContact O-OG 3.46Å; S715-K718 PolarHBondContact O-N 3.08Å; S715-Q719 WeakPolarHBondContact O-CB 3.44Å; S715-Q719 PolarHBondContact O-N 3.48Å
716Y71.1Confident57.2Low139 Ų139117.6 Ų117.655%0.54558%0.581SS.*Hα-helixtrans-58.1-50.3172.9179.6-98.1000112.5A712 L713 K718 Q719 Q720A712-Y716 WeakPolarHBondContact O-CB 3.29Å; A712-Y716 PolarHBondContact O-N 3.12Å; L713-Y716 PolarHBondContact O-N 2.77Å; Y716-K718 VanDerWaalsContact C-N 3.34Å; Y716-K718 PolarHBondContact O-N 3.06Å; Y716-Q719 PolarHBondContact O-N 2.88Å; Y716-Q720 PolarHBondContact O-N 3.25Å
717Y61.4Low57.2Low138 Ų138120.3 Ų120.354%0.54159%0.586SS.*Hα-helixtrans-64.6-36.4177-86.9-71.4000112.9L713 Q720 Q721L713-Y717 HydrophobicContact CD2-CE2 4.29Å; L713-Y717 WeakPolarHBondContact O-CD2 3.38Å; L713-Y717 PolarHBondContact O-N 3.27Å; L713-Y717 VanDerWaalsContact O-N 3.08Å; Y717-Q720 PolarHBondContact O-N 3.36Å; Y717-Q721 PolarHBondContact O-N 3.18Å; Y717-Q721 VanDerWaalsContact O-N 3.09Å
718K66.5Low56.9Low147 Ų147125 Ų12564%0.63961%0.605SS**Hα-helixtrans-66.1-37.6175.6-168.2173.7-176.4178.60112.1L714 S715 Y716 Q721 Q722L714-K718 VanDerWaalsContact O-CB 3.29Å; L714-K718 WeakPolarHBondContact O-CB 3.09Å; L714-K718 PolarHBondContact O-N 2.97Å; S715-K718 PolarHBondContact O-N 3.08Å; Y716-K718 VanDerWaalsContact C-N 3.34Å; Y716-K718 PolarHBondContact O-N 3.06Å; K718-Q721 PolarHBondContact O-N 3.33Å; K718-Q722 PolarHBondContact O-N 3.34Å
719Q67.2Low56.2Low114 Ų114124.2 Ų124.253%0.53360%0.602SS.*Hα-helixtrans-69.1-37.5174.8-165.5171.123.400111.7S715 Y716 Q721 Q722 Q723S715-Q719 WeakPolarHBondContact O-CB 3.44Å; S715-Q719 PolarHBondContact O-N 3.48Å; Y716-Q719 PolarHBondContact O-N 2.88Å; Q719-Q721 PolarHBondContact O-N 3.05Å; Q719-Q722 PolarHBondContact O-N 2.74Å; Q719-Q723 PolarHBondContact O-N 3.04Å
720Q62.5Low55.6Low81 Ų81128.9 Ų128.938%0.37961%0.614SS.*Hα-helixtrans-63.1-39.2174.6-167.9174.764.300112.4Y716 Y717 Q723 Q724Y716-Q720 PolarHBondContact O-N 3.25Å; Y717-Q720 PolarHBondContact O-N 3.36Å; Q720-Q723 PolarHBondContact O-N 3.06Å; Q720-Q724 PolarHBondContact O-N 2.96Å
721Q58.8Low54.9Low129 Ų129129 Ų12960%0.60363%0.626SS**Hα-helixtrans-67-34.6174.1-72.7-177.2-2.500113.3Y717 K718 Q719 H725Y717-Q721 PolarHBondContact O-N 3.18Å; Y717-Q721 VanDerWaalsContact O-N 3.09Å; K718-Q721 PolarHBondContact O-N 3.33Å; Q719-Q721 PolarHBondContact O-N 3.05Å; Q721-H725 PolarHBondContact O-N 3.33Å; Q721-H725 PolarHBondContact O-ND1 2.89Å
722Q57.2Low53.7Low135 Ų135127.7 Ų127.763%0.63164%0.637SS**Hα-helixtrans-68.3-39.4174-77.1-174.1-38.300112.3K718 Q719 Q724 H725 Q726K718-Q722 PolarHBondContact O-N 3.34Å; Q719-Q722 PolarHBondContact O-N 2.74Å; Q722-Q724 VanDerWaalsContact C-N 3.31Å; Q722-Q724 PolarHBondContact O-N 3.15Å; Q722-H725 PolarHBondContact O-N 3.11Å; Q722-Q726 PolarHBondContact O-N 3Å; Q722-Q726 VanDerWaalsContact O-N 3.15Å
723Q51.9Low52.5Low117 Ų117131.5 Ų131.555%0.54766%0.657SS.*Hα-helixtrans-63.3-35.5176.1-73.2-177.8-2.300112.7Q719 Q720 Q726Q719-Q723 PolarHBondContact O-N 3.04Å; Q720-Q723 PolarHBondContact O-N 3.06Å; Q723-Q726 PolarHBondContact O-N 3.41Å
724Q50.6Low51.3Low130 Ų130131.5 Ų131.561%0.60767%0.666SS**Hα-helixtrans-65.8-40.8174.8-72.5-178-9.900112.8Q720 Q722 Q726 Q727Q720-Q724 PolarHBondContact O-N 2.96Å; Q722-Q724 VanDerWaalsContact C-N 3.31Å; Q722-Q724 PolarHBondContact O-N 3.15Å; Q724-Q726 VanDerWaalsContact C-N 3.28Å; Q724-Q726 PolarHBondContact O-N 3.36Å; Q724-Q727 PolarHBondContact O-N 2.99Å
725H48Very low49.9Very low149 Ų149135 Ų13569%0.6968%0.679SS**Hα-helixtrans-67.7-26.8175.9-84.176.1000113.4Q721 Q722 Q727 S729Q721-H725 PolarHBondContact O-N 3.33Å; Q721-H725 PolarHBondContact O-ND1 2.89Å; Q722-H725 PolarHBondContact O-N 3.11Å; H725-Q727 VanDerWaalsContact C-N 3.34Å; H725-S729 PolarHBondContact O-OG 2.64Å
726Q47.2Very low48.4Very low154 Ų154140.2 Ų140.272%0.7270%0.696SS**Hα-helixtrans-82.8-8.6-177.6-154.2159.451.700113.9Q722 Q723 Q724Q722-Q726 PolarHBondContact O-N 3Å; Q722-Q726 VanDerWaalsContact O-N 3.15Å; Q723-Q726 PolarHBondContact O-N 3.41Å; Q724-Q726 VanDerWaalsContact C-N 3.28Å; Q724-Q726 PolarHBondContact O-N 3.36Å
727Q45.6Very low47.2Very low170 Ų170138.7 Ų138.779%0.79470%0.703SS**THydrogen-bonded Turntrans-91.3-14.4174.6-69.8-1741.100114.3Q724 H725Q724-Q727 PolarHBondContact O-N 2.99Å; H725-Q727 VanDerWaalsContact C-N 3.34Å
728Q44.3Very low45.7Very low182 Ų182142.2 Ų142.285%0.8572%0.721SS**SBendtrans-94.23178.3-73.7-171.1-1800114.6
729S41.6Very low44.5Very low87 Ų87142 Ų14261%0.60873%0.732SS**SBendtrans-118.543.8-168.641.40000114.2H725H725-S729 PolarHBondContact O-OG 2.64Å
730R36.4Very low42.8Very low241 Ų241141.4 Ų141.491%0.90975%0.747SS**  trans-150.350-179-139.1178.6-165.3-152.42.6119.3
731S35.4Very low41.6Very low125 Ų125143.8 Ų143.887%0.87477%0.767SS**  trans-161.880.5162.559.90000115.9
732A35.1Very low40.6Very low99 Ų99145 Ų14582%0.81878%0.777SS**  trans-164.7128.4154.600000110.2
733P37.5Very low39.6Very low136 Ų136148.6 Ų148.688%0.88381%0.807SS**  trans-84.8153.3174.534.2-33.8000111.9
734S33.3Very low39Very low104 Ų104150.2 Ų150.273%0.72782%0.82SS**  trans-105131.9171.2175.30000110.4
735Q32.8Very low38.4Very low193 Ų193151.2 Ų151.290%0.90283%0.831SS**  -169.3163.3123.4-103.316854.900112.6
736Q31.5Very low37.8Very low175 Ų175151.3 Ų151.382%0.81884%0.839SS**  trans-103.2-157.8-174.1-55.3175.9-31.200110.1
737P46.7Very low37.3Very low106 Ų106151.2 Ų151.269%0.68885%0.846SS**  -123.3163.2-56.624.4-7.9000111.7
738K30.3Very low36.8Very low212 Ų212150 Ų15092%0.92285%0.849SS**  trans-142.6143.6142.7-75.6-158.3176.4-179.10111.7
739T39.9Very low36.3Very low142 Ų142147.9 Ų147.987%0.87185%0.849SS**  trans-94.2145.8178.637.30000111.8
740A32.4Very low35.9Very low102 Ų102152.2 Ų152.284%0.84387%0.866SS**  trans-154.8138.7151.600000108.8
741T37.8Very low35.8Very low131 Ų131145.4 Ų145.480%0.80486%0.863SS**  trans-113.9176.6171.8-53.50000107.5
742I36.3Very low35.9Very low156 Ų156147.1 Ų147.180%0.886%0.862SS**  trans85.5124173.7-51.2161.4000112.2
743V36.9Very low35.9Very low209 Ų209151.5 Ų151.5100%1.26787%0.866SS**  cis-107.80-9.7178.50000109.2

Retrieved 743 of 743 residues in 511.6 ms (Link to these results)

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