A0A077HCZ4_DROME Loading...

Runt

AlphaFold DB , UniProt , Accession A0A077HCZ4, Species DROME (Drosophila melanogaster, Fruit fly), Gene run, Length 200 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
1Y46.2Very low52.7Low294 Ų294127.9 Ų127.9100%1.15372%0.717SS**  0147.40-89.4-103.3000108.7
2G48.2Very low53.1Low75 Ų75132 Ų13277%0.77372%0.722SS**  trans-72.8152.7-154.700000116.4
3Y46.3Very low53Low200 Ų200133.3 Ų133.378%0.78472%0.723SS**  trans-124.1102153.7-150.7-91.3000107.3H5Y3-H5 PolarHBondContact O-N 3.01Å; Y3-H5 VanDerWaalsContact O-N 3.08Å
4P54.2Low53.4Low116 Ų116130.8 Ų130.875%0.75371%0.708SS**  trans-77.697.2-176.930.2-32.4000109.4P6P4-P6 WeakPolarHBondContact O-CD 3.46Å
5H53Low53Low131 Ų131128.2 Ų128.261%0.60669%0.694SS**  trans-61.6124.9168.8-69-79.8000109.1Y3 G7 A8Y3-H5 PolarHBondContact O-N 3.01Å; Y3-H5 VanDerWaalsContact O-N 3.08Å; H5-G7 VanDerWaalsContact C-N 3.34Å; H5-G7 PolarHBondContact O-N 2.9Å; H5-A8 HydrophobicContact CB-CB 4.24Å; H5-A8 WeakPolarHBondContact O-CB 3.33Å; H5-A8 PolarHBondContact O-N 2.88Å
6P52.8Low53.1Low139 Ų139126.8 Ų126.890%0.90369%0.693SS**THydrogen-bonded Turntrans-70.792.5175.428.8-33.3000108.9P4P4-P6 WeakPolarHBondContact O-CD 3.46Å
7G55.3Low53.3Low77 Ų77122 Ų12279%0.79467%0.674SS**THydrogen-bonded Turntrans130.2-3-166.900000114.5H5 F9H5-G7 VanDerWaalsContact C-N 3.34Å; H5-G7 PolarHBondContact O-N 2.9Å; G7-F9 PolarHBondContact O-N 3.04Å; G7-F9 VanDerWaalsContact O-N 3.08Å
8A55.2Low53.4Low66 Ų66125.9 Ų125.955%0.54568%0.677SS.*  trans-59.9112.8168.700000110.1H5 N10H5-A8 HydrophobicContact CB-CB 4.24Å; H5-A8 WeakPolarHBondContact O-CB 3.33Å; H5-A8 PolarHBondContact O-N 2.88Å; A8-N10 PolarHBondContact O-N 3.07Å
9F58.5Low53.6Low166 Ų166126 Ų12673%0.72868%0.677SS**  trans-51.498.4-176.8-161.3-112.4000111.4G7 P11 L14G7-F9 PolarHBondContact O-N 3.04Å; G7-F9 VanDerWaalsContact O-N 3.08Å; F9-P11 VanDerWaalsContact O-CD 3.25Å; F9-P11 WeakPolarHBondContact O-CD 3.27Å; F9-L14 HydrophobicContact CD1-CD1 3.51Å; F9-L14 HydrophobicContact CD2-CD1 3.93Å; F9-L14 HydrophobicContact CE1-CD1 3.26Å; F9-L14 HydrophobicContact CE1-CD2 4.35Å; F9-L14 HydrophobicContact CE1-CG 4.42Å; F9-L14 HydrophobicContact CE2-CD1 3.7Å; F9-L14 HydrophobicContact CE2-CD2 3.7Å; F9-L14 HydrophobicContact CE2-CG 4.31Å; F9-L14 HydrophobicContact CG-CD1 3.85Å; F9-L14 HydrophobicContact CZ-CD1 3.37Å; F9-L14 HydrophobicContact CZ-CD2 3.59Å; F9-L14 HydrophobicContact CZ-CG 4.12Å
10N54Low53.7Low70 Ų70124.3 Ų124.337%0.37467%0.668SS.*  trans-80.3106.2-177.7-177.1-2.9000109.6A8 F12 M13A8-N10 PolarHBondContact O-N 3.07Å; N10-F12 PolarHBondContact O-N 3.37Å; N10-F12 VanDerWaalsContact O-N 3.14Å; N10-F12 WeakPolarHBondContact OD1-CD2 3.5Å; N10-F12 PolarHBondContact OD1-N 3.13Å; N10-M13 HydrophobicContact CB-CB 4.28Å; N10-M13 HydrophobicContact CB-CG 4.09Å; N10-M13 HydrophobicContact CB-SD 3.84Å; N10-M13 WeakPolarHBondContact ND2-CG 3.41Å; N10-M13 PolarHBondContact ND2-SD 2.74Å; N10-M13 PolarHBondContact O-N 3.31Å
11P56.3Low53.7Low73 Ų73120.8 Ų120.847%0.47466%0.656SS.*Hα-helixtrans-61.2-30.7-170.925.9-34.8000112.4F9 M13 L14F9-P11 VanDerWaalsContact O-CD 3.25Å; F9-P11 WeakPolarHBondContact O-CD 3.27Å; P11-M13 PolarHBondContact O-N 2.89Å; P11-L14 PolarHBondContact O-N 3.35Å
12F56.8Low54.2Low177 Ų177109.3 Ų109.378%0.77662%0.622SS**Hα-helixtrans-73.2-12.9179.7-49.7-67.5000113.7N10N10-F12 PolarHBondContact O-N 3.37Å; N10-F12 VanDerWaalsContact O-N 3.14Å; N10-F12 WeakPolarHBondContact OD1-CD2 3.5Å; N10-F12 PolarHBondContact OD1-N 3.13Å
13M51.9Low54.2Low149 Ų149114.5 Ų114.573%0.73462%0.619SS**Hα-helixtrans-93.7-13.9176.1-71.8176.363.800113.8N10 P11N10-M13 HydrophobicContact CB-CB 4.28Å; N10-M13 HydrophobicContact CB-CG 4.09Å; N10-M13 HydrophobicContact CB-SD 3.84Å; N10-M13 WeakPolarHBondContact ND2-CG 3.41Å; N10-M13 PolarHBondContact ND2-SD 2.74Å; N10-M13 PolarHBondContact O-N 3.31Å; P11-M13 PolarHBondContact O-N 2.89Å
14L58.6Low54.6Low98 Ų98109 Ų10951%0.51360%0.601SS.*Hα-helixtrans-82.6-31.2-169.7-83.2137.9000114.2F9 P11F9-L14 HydrophobicContact CD1-CD1 3.51Å; F9-L14 HydrophobicContact CD2-CD1 3.93Å; F9-L14 HydrophobicContact CE1-CD1 3.26Å; F9-L14 HydrophobicContact CE1-CD2 4.35Å; F9-L14 HydrophobicContact CE1-CG 4.42Å; F9-L14 HydrophobicContact CE2-CD1 3.7Å; F9-L14 HydrophobicContact CE2-CD2 3.7Å; F9-L14 HydrophobicContact CE2-CG 4.31Å; F9-L14 HydrophobicContact CG-CD1 3.85Å; F9-L14 HydrophobicContact CZ-CD1 3.37Å; F9-L14 HydrophobicContact CZ-CD2 3.59Å; F9-L14 HydrophobicContact CZ-CG 4.12Å; P11-L14 PolarHBondContact O-N 3.35Å
15N47.8Very low54.6Low92 Ų92108.1 Ų108.149%0.49259%0.594SS.*  trans-162.2114.3163.7-161.2-12.1000111.8A17 W18N15-A17 PolarHBondContact O-N 2.86Å; N15-A17 VanDerWaalsContact OD1-CB 3.22Å; N15-A17 WeakPolarHBondContact OD1-CB 3.42Å; N15-A17 PolarHBondContact OD1-N 3.46Å; N15-W18 WeakPolarHBondContact O-CB 3.4Å; N15-W18 PolarHBondContact O-N 3.39Å; N15-W18 VanDerWaalsContact O-N 3.12Å
16P54.3Low54.5Low105 Ų105111.7 Ų111.768%0.68260%0.604SS**THydrogen-bonded Turntrans-63.5-23.6170.126.3-33.2000112.5W18 L19P16-W18 PolarHBondContact O-N 2.98Å; P16-L19 WeakPolarHBondContact O-CB 3.42Å; P16-L19 PolarHBondContact O-N 3.17Å
17A56.3Low54.6Low46 Ų46107.5 Ų107.538%0.3859%0.586SS.*Hα-helixtrans-70.9-8174.600000113.9N15 L19 A21N15-A17 PolarHBondContact O-N 2.86Å; N15-A17 VanDerWaalsContact OD1-CB 3.22Å; N15-A17 WeakPolarHBondContact OD1-CB 3.42Å; N15-A17 PolarHBondContact OD1-N 3.46Å; A17-L19 PolarHBondContact O-N 3.32Å; A17-A21 WeakPolarHBondContact O-CB 3.45Å; A17-A21 PolarHBondContact O-N 2.84Å
18W56Low54.2Low192 Ų192110.5 Ų110.573%0.72757%0.574SS**Hα-helixtrans-54.8-45.5161.2162.4-63.3000110.2N15 P16 A22N15-W18 WeakPolarHBondContact O-CB 3.4Å; N15-W18 PolarHBondContact O-N 3.39Å; N15-W18 VanDerWaalsContact O-N 3.12Å; P16-W18 PolarHBondContact O-N 2.98Å; W18-A22 WeakPolarHBondContact O-CB 3.48Å; W18-A22 PolarHBondContact O-N 2.97Å
19L56.6Low54.1Low128 Ų128110.5 Ų110.567%0.6757%0.574SS**Hα-helixtrans-75.8-40.6-171.1-156.474.1000110.6P16 A17 Y23P16-L19 WeakPolarHBondContact O-CB 3.42Å; P16-L19 PolarHBondContact O-N 3.17Å; A17-L19 PolarHBondContact O-N 3.32Å; L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 3.43Å
20D56.3Low53.9Low92 Ų92105.6 Ų105.649%0.49256%0.555SS.*Hα-helixtrans-61.5-49171.9-171.955.8000111.6A22 Y23 M24D20-A22 PolarHBondContact O-N 2.69Å; D20-Y23 PolarHBondContact O-N 3.42Å; D20-M24 WeakPolarHBondContact O-CB 3.46Å; D20-M24 VanDerWaalsContact O-CG 3.27Å; D20-M24 WeakPolarHBondContact O-CG 3.41Å; D20-M24 PolarHBondContact O-N 3.45Å
21A53.5Low53.7Low51 Ų51109.3 Ų109.342%0.42157%0.565SS.*Hα-helixtrans-62.5-39.7178.100000113.2A17 T25A17-A21 WeakPolarHBondContact O-CB 3.45Å; A17-A21 PolarHBondContact O-N 2.84Å; A21-T25 WeakPolarHBondContact O-CB 3.48Å; A21-T25 PolarHBondContact O-N 3Å; A21-T25 PolarHBondContact O-OG1 2.69Å
22A55.3Low53.7Low52 Ų52112.1 Ų112.143%0.4357%0.57SS.*Hα-helixtrans-63.8-40.217500000111.9W18 D20W18-A22 WeakPolarHBondContact O-CB 3.48Å; W18-A22 PolarHBondContact O-N 2.97Å; D20-A22 PolarHBondContact O-N 2.69Å
23Y49.5Very low53.7Low184 Ų184110.7 Ų110.772%0.72256%0.56SS**Hα-helixtrans-68.9-47.1177.1-168.4-102.1000112.1L19 D20 T25 Y26 G27L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 3.43Å; D20-Y23 PolarHBondContact O-N 3.42Å; Y23-T25 VanDerWaalsContact C-N 3.29Å; Y23-T25 PolarHBondContact O-N 3.19Å; Y23-Y26 PolarHBondContact O-N 3.11Å; Y23-G27 PolarHBondContact O-N 2.86Å
24M54.7Low53.8Low84 Ų84109 Ų10941%0.41455%0.55SS.*Hα-helixtrans-60.8-36.2178.3-70.6-67174.500112.7D20 Y26 G27 Y28D20-M24 WeakPolarHBondContact O-CB 3.46Å; D20-M24 VanDerWaalsContact O-CG 3.27Å; D20-M24 WeakPolarHBondContact O-CG 3.41Å; D20-M24 PolarHBondContact O-N 3.45Å; M24-Y26 PolarHBondContact O-N 2.84Å; M24-G27 PolarHBondContact O-N 3.38Å; M24-Y28 WeakPolarHBondContact O-CD2 3.25Å; M24-Y28 PolarHBondContact O-N 3.35Å; M24-Y28 HydrophobicContact SD-CD2 4.42Å; M24-Y28 HydrophobicContact SD-CE2 4.03Å
25T54.4Low53.7Low98 Ų98108.6 Ų108.660%0.60155%0.545SS*.Hα-helixtrans-63.1-39.7-178.2-63.50000112.3A21 Y23A21-T25 WeakPolarHBondContact O-CB 3.48Å; A21-T25 PolarHBondContact O-N 3Å; A21-T25 PolarHBondContact O-OG1 2.69Å; Y23-T25 VanDerWaalsContact C-N 3.29Å; Y23-T25 PolarHBondContact O-N 3.19Å
26Y49.9Very low54.1Low206 Ų206107.2 Ų107.281%0.80855%0.547SS*.Hα-helixtrans-72.7-34.2175.9-88.1-86.6000112.9Y23 M24Y23-Y26 PolarHBondContact O-N 3.11Å; M24-Y26 PolarHBondContact O-N 2.84Å
27G55Low54.2Low51 Ų51105.2 Ų105.253%0.52654%0.539SS..Hα-helixtrans-70.1-45.4177.700000114Y23 M24Y23-G27 PolarHBondContact O-N 2.86Å; M24-G27 PolarHBondContact O-N 3.38Å
28Y46.4Very low54.1Low141 Ų141105.7 Ų105.755%0.55354%0.543SS*.Hα-helixtrans-75.2-26.2-174.8-89.2-86.7000114.3M24 D30 Y31 F32M24-Y28 WeakPolarHBondContact O-CD2 3.25Å; M24-Y28 PolarHBondContact O-N 3.35Å; M24-Y28 HydrophobicContact SD-CD2 4.42Å; M24-Y28 HydrophobicContact SD-CE2 4.03Å; Y28-D30 VanDerWaalsContact C-N 3.29Å; Y28-D30 PolarHBondContact O-N 3.1Å; Y28-Y31 PolarHBondContact O-N 3.49Å; Y28-F32 HydrophobicContact CD1-CE2 4.28Å; Y28-F32 WeakPolarHBondContact O-CD2 3.4Å
29A54.1Low54Low65 Ų65103 Ų10354%0.53754%0.539SS..Hα-helixtrans-62.2-33.1-177.200000113.4
30D53.5Low53.8Low63 Ų6399.8 Ų99.834%0.33753%0.53SS..Hα-helixtrans-81.3-29.9179.5-141.5-34.6000112.8Y28 F32 R33 H34Y28-D30 VanDerWaalsContact C-N 3.29Å; Y28-D30 PolarHBondContact O-N 3.1Å; D30-F32 PolarHBondContact O-N 2.98Å; D30-R33 PolarHBondContact O-N 3.39Å; D30-R33 IonicContact OD1-CZ 3.64Å; D30-R33 IonicContact OD1-NH1 3.56Å; D30-R33 PolarHBondContact OD1-NH1 3.49Å; D30-R33 IonicContact OD1-NH2 2.84Å; D30-R33 PolarHBondContact OD1-NH2 3.47Å; D30-R33 IonicContact OD2-CZ 3.07Å; D30-R33 IonicContact OD2-NH1 2.69Å; D30-R33 IonicContact OD2-NH2 3Å; D30-R33 PolarHBondContact OD2-NH2 2.99Å; D30-H34 WeakPolarHBondContact O-CB 3.32Å; D30-H34 PolarHBondContact O-N 3.16Å; D30-H34 PolarHBondContact O-ND1 2.99Å; D30-H34 VanDerWaalsContact O-ND1 3.11Å; D30-H34 IonicContact OD1-CE1 2.97Å; D30-H34 PolarHBondContact OD1-CE1 3.4Å; D30-H34 IonicContact OD1-ND1 2.69Å; D30-H34 PolarHBondContact OD1-ND1 3.39Å
31Y50.6Low53.5Low149 Ų14998.7 Ų98.758%0.58453%0.534SS*.Hα-helixtrans-64.7-40.3-175.5-155.8-100.8000112.5Y28 H34 Q35Y28-Y31 PolarHBondContact O-N 3.49Å; Y31-H34 PolarHBondContact O-N 2.96Å; Y31-Q35 HydrophobicContact CD1-CG 4.42Å; Y31-Q35 HydrophobicContact CE1-CG 4.43Å; Y31-Q35 WeakPolarHBondContact O-CG 3.39Å; Y31-Q35 PolarHBondContact O-N 3.03Å
32F56.5Low53.3Low132 Ų132104.2 Ų104.258%0.57955%0.551SS**Hα-helixtrans-69.4-36.3174.6-69.6-71.5000112.8Y28 D30 Q35 A36Y28-F32 HydrophobicContact CD1-CE2 4.28Å; Y28-F32 WeakPolarHBondContact O-CD2 3.4Å; D30-F32 PolarHBondContact O-N 2.98Å; F32-Q35 PolarHBondContact O-N 3.48Å; F32-A36 WeakPolarHBondContact O-CB 3.27Å; F32-A36 PolarHBondContact O-N 3.43Å
33R55.8Low53Low146 Ų146106.4 Ų106.455%0.55156%0.559SS**Hα-helixtrans-67.2-37.4175.3-178.6160.645.560.91.6111.3D30 A37D30-R33 PolarHBondContact O-N 3.39Å; D30-R33 IonicContact OD1-CZ 3.64Å; D30-R33 IonicContact OD1-NH1 3.56Å; D30-R33 PolarHBondContact OD1-NH1 3.49Å; D30-R33 IonicContact OD1-NH2 2.84Å; D30-R33 PolarHBondContact OD1-NH2 3.47Å; D30-R33 IonicContact OD2-CZ 3.07Å; D30-R33 IonicContact OD2-NH1 2.69Å; D30-R33 IonicContact OD2-NH2 3Å; D30-R33 PolarHBondContact OD2-NH2 2.99Å; R33-A37 PolarHBondContact O-N 3.38Å; R33-A37 VanDerWaalsContact O-N 3.1Å
34H53.9Low52.7Low115 Ų115105.1 Ų105.153%0.53256%0.559SS.*Hα-helixtrans-68.6-40.2171.2-82.978.9000113D30 Y31 A37 A38D30-H34 WeakPolarHBondContact O-CB 3.32Å; D30-H34 PolarHBondContact O-N 3.16Å; D30-H34 PolarHBondContact O-ND1 2.99Å; D30-H34 VanDerWaalsContact O-ND1 3.11Å; D30-H34 IonicContact OD1-CE1 2.97Å; D30-H34 PolarHBondContact OD1-CE1 3.4Å; D30-H34 IonicContact OD1-ND1 2.69Å; D30-H34 PolarHBondContact OD1-ND1 3.39Å; Y31-H34 PolarHBondContact O-N 2.96Å; H34-A37 PolarHBondContact O-N 3.37Å; H34-A38 VanDerWaalsContact O-CB 3.27Å; H34-A38 WeakPolarHBondContact O-CB 3.44Å; H34-A38 PolarHBondContact O-N 3.25Å
35Q57.7Low51.8Low88 Ų88107.7 Ų107.741%0.41157%0.57SS.*Hα-helixtrans-63.3-41174.3-78.6-171-15.100112.3Y31 F32 A38 Q39Y31-Q35 HydrophobicContact CD1-CG 4.42Å; Y31-Q35 HydrophobicContact CE1-CG 4.43Å; Y31-Q35 WeakPolarHBondContact O-CG 3.39Å; Y31-Q35 PolarHBondContact O-N 3.03Å; F32-Q35 PolarHBondContact O-N 3.48Å; Q35-A38 PolarHBondContact O-N 3.43Å; Q35-Q39 WeakPolarHBondContact O-CB 3.49Å; Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3.33Å
36A56.2Low51.5Low64 Ų64108.8 Ų108.853%0.52958%0.578SS.*Hα-helixtrans-61.8-44.6174.700000111.9F32 A40F32-A36 WeakPolarHBondContact O-CB 3.27Å; F32-A36 PolarHBondContact O-N 3.43Å; A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.28Å
37A56.3Low51.5Low62 Ų62103.5 Ų103.551%0.51258%0.577SS.*Hα-helixtrans-65.1-41.1175.700000112.8R33 H34 A40 A41R33-A37 PolarHBondContact O-N 3.38Å; R33-A37 VanDerWaalsContact O-N 3.1Å; H34-A37 PolarHBondContact O-N 3.37Å; A37-A40 PolarHBondContact O-N 3.31Å; A37-A41 PolarHBondContact O-N 2.95Å
38A54.8Low51.2Low56 Ų56108.2 Ų108.246%0.46359%0.59SS.*Hα-helixtrans-68.3-37.3178.500000112.6H34 Q35 A41 Q42H34-A38 VanDerWaalsContact O-CB 3.27Å; H34-A38 WeakPolarHBondContact O-CB 3.44Å; H34-A38 PolarHBondContact O-N 3.25Å; Q35-A38 PolarHBondContact O-N 3.43Å; A38-A41 PolarHBondContact O-N 3.35Å; A38-Q42 WeakPolarHBondContact O-CG 3.4Å; A38-Q42 PolarHBondContact O-N 3.05Å
39Q52.8Low51.1Low137 Ų137105.9 Ų105.964%0.6460%0.6SS**Hα-helixtrans-71.2-37.3173.2-71.7-169.57.100112.1Q35 A41 Q42 V43Q35-Q39 WeakPolarHBondContact O-CB 3.49Å; Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3.33Å; Q39-A41 VanDerWaalsContact C-N 3.28Å; Q39-A41 PolarHBondContact O-N 2.9Å; Q39-Q42 PolarHBondContact O-N 3.01Å; Q39-Q42 VanDerWaalsContact O-N 3.16Å; Q39-V43 WeakPolarHBondContact O-CG2 3.4Å; Q39-V43 PolarHBondContact O-N 2.98Å
40A52.2Low51Low59 Ų59112.6 Ų112.649%0.48862%0.617SS.*Hα-helixtrans-58.9-40.1170.800000111.9A36 A37 V43A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.28Å; A37-A40 PolarHBondContact O-N 3.31Å; A40-V43 PolarHBondContact O-N 2.89Å
41A50.1Low50.5Low70 Ų70114.6 Ų114.658%0.57964%0.636SS**Hα-helixtrans-68.1-34.5174.100000113.5A37 A38 Q39 H44A37-A41 PolarHBondContact O-N 2.95Å; A38-A41 PolarHBondContact O-N 3.35Å; Q39-A41 VanDerWaalsContact C-N 3.28Å; Q39-A41 PolarHBondContact O-N 2.9Å; A41-H44 PolarHBondContact O-N 3.08Å
42Q48.6Very low50.1Low167 Ų167112.7 Ų112.778%0.7864%0.644SS**Hα-helixtrans-72.3-26.6176.5-79-92.6-8700113.8A38 Q39A38-Q42 WeakPolarHBondContact O-CG 3.4Å; A38-Q42 PolarHBondContact O-N 3.05Å; Q39-Q42 PolarHBondContact O-N 3.01Å; Q39-Q42 VanDerWaalsContact O-N 3.16Å
43V49.2Very low49.8Very low98 Ų98112 Ų11259%0.59466%0.663SS**Hα-helixtrans-82.6-12.5176.8176.50000112.3Q39 A40 H45Q39-V43 WeakPolarHBondContact O-CG2 3.4Å; Q39-V43 PolarHBondContact O-N 2.98Å; A40-V43 PolarHBondContact O-N 2.89Å; V43-H45 PolarHBondContact O-CD2 2.99Å; V43-H45 PolarHBondContact O-CE1 3.4Å; V43-H45 PolarHBondContact O-N 3.49Å; V43-H45 PolarHBondContact O-NE2 2.74Å
44H43.4Very low49Very low157 Ų157109.7 Ų109.773%0.72767%0.669SS**  trans-76.683.9170.8-95.6-91.1000112.3A41 P46A41-H44 PolarHBondContact O-N 3.08Å; H44-P46 WeakPolarHBondContact O-CD 3.42Å
45H36.8Very low48.7Very low138 Ų138110 Ų11064%0.63969%0.685SS**  trans-56.9125.8173.4-38.8-64.8000111.2V43 A47V43-H45 PolarHBondContact O-CD2 2.99Å; V43-H45 PolarHBondContact O-CE1 3.4Å; V43-H45 PolarHBondContact O-N 3.49Å; V43-H45 PolarHBondContact O-NE2 2.74Å; H45-A47 PolarHBondContact O-N 3.06Å
46P48.3Very low47.8Very low120 Ų120112.1 Ų112.178%0.77970%0.703SS**G310 helixtrans-63.3-9.7179.3-26.135.8000115.5H44 L48 A49H44-P46 WeakPolarHBondContact O-CD 3.42Å; P46-L48 PolarHBondContact O-N 2.95Å; P46-L48 VanDerWaalsContact O-N 3.17Å; P46-A49 PolarHBondContact O-N 2.85Å
47A48.5Very low47Very low95 Ų95114 Ų11479%0.78571%0.712SS**G310 helixtrans-66.7-12.9-172.800000115.5H45H45-A47 PolarHBondContact O-N 3.06Å
48L50.2Low46.7Very low150 Ų150116.5 Ų116.579%0.78572%0.723SS**G310 helixtrans-107.31.3179.6-71.4171.7000114.2P46 K50P46-L48 PolarHBondContact O-N 2.95Å; P46-L48 VanDerWaalsContact O-N 3.17Å; L48-K50 PolarHBondContact O-N 3.18Å
49A44.7Very low46.2Very low93 Ų93120.6 Ų120.677%0.76974%0.737SS**THydrogen-bonded Turntrans-75.234.6178.800000114.2P46P46-A49 PolarHBondContact O-N 2.85Å
50K51Low45.8Very low206 Ų206119.4 Ų119.490%0.89674%0.742SS**THydrogen-bonded Turntrans-126.817.8179.4-159.7149-176.9172.50115.1L48L48-K50 PolarHBondContact O-N 3.18Å
51S43.6Very low45.1Very low105 Ų105123.5 Ų123.573%0.73476%0.755SS**SBendtrans-147.2138.914551.20000107.9
52S42.3Very low45.6Very low109 Ų109124.9 Ų124.976%0.76276%0.758SS**  cis-142.9117.39.638.90000111.7S54S52-S54 PolarHBondContact O-N 3.17Å
53A50.1Low44.9Very low116 Ų116123 Ų12396%0.95976%0.763SS**  trans-82.195.1157.900000108.1
54S38.3Very low44.8Very low99 Ų99124.8 Ų124.869%0.69277%0.774SS**  trans-148.2106.5171.3-167.30000111S52S52-S54 PolarHBondContact O-N 3.17Å
55S47.3Very low44.7Very low122 Ų122121.8 Ų121.885%0.85378%0.777SS**  trans-94.8100.1177.653.70000110.4
56V39.5Very low44.8Very low132 Ų132120.6 Ų120.680%0.878%0.779SS**  trans-138.2144169.7-171.50000109.5
57S39Very low44.4Very low103 Ų103120.2 Ų120.272%0.7278%0.78SS**  trans-95.1-167.6179.2-164.30000110.8
58P50.1Low44.1Very low114 Ų114120.8 Ų120.874%0.7478%0.778SS**  -93.3175.8-79.137-31.2000113.6
59N44.3Very low43.6Very low142 Ų142118.4 Ų118.476%0.75977%0.774SS**  trans-42.7134.7175.4176.551.2000115.2N61N59-N61 PolarHBondContact OD1-N 2.89Å
60P44.4Very low43.3Very low113 Ų113119.3 Ų119.373%0.73478%0.775SS**  -148.7106.7107.235.7-16.9000117.1
61N37.6Very low42.5Very low144 Ų144113.9 Ų113.977%0.7777%0.768SS**  trans64.8-165146.9-143.215.2000117.1N59N59-N61 PolarHBondContact OD1-N 2.89Å
62P61Low42.1Very low99 Ų99115.3 Ų115.364%0.64377%0.772SS**  -125.6164.7-118.841.1-23.7000116.7
63S33.9Very low42.1Very low127 Ų127118.5 Ų118.589%0.88878%0.775SS**  trans-171.1166149.1-90.20000114.3
64V46.8Very low42.1Very low136 Ų136118.5 Ų118.582%0.82477%0.765SS**  trans-116.1138.3-174.5173.70000111.7
65A40.3Very low42.2Very low95 Ų95118.4 Ų118.479%0.78576%0.764SS**  trans-161.1128.9153.600000107.9
66T40.2Very low41.4Very low112 Ų112121.6 Ų121.669%0.68777%0.766SS**  cis99.9129.423.3-530000113.6
67S40.3Very low41.2Very low113 Ų113125.1 Ų125.179%0.7977%0.766SS**  trans69.8153.6172-630000117.6
68S41.5Very low41.6Very low106 Ų106125.3 Ų125.374%0.74177%0.765SS**  cis-165.9-174.2-19.653.90000107.7
69S40.2Very low41.1Very low100 Ų100128.3 Ų128.370%0.69977%0.769SS**  cis-159.9179.419.5-31.80000113.2
70S36.8Very low41.3Very low113 Ų113127.8 Ų127.879%0.7977%0.773SS**  trans-37.3158.7155.346.60000117.7
71A35.6Very low41.5Very low91 Ų91127.3 Ų127.375%0.75278%0.779SS**  cis-161.2-156.5-4.500000107.9
72V34.5Very low41.3Very low136 Ų136124.9 Ų124.982%0.82478%0.779SS**  cis-153.4163.621.8177.60000109.5
73Q42.5Very low40.1Very low176 Ų176125 Ų12582%0.82279%0.788SS**  trans-125.2158.9169.8-85.8-164-18.200112.7
74P49.8Very low40.4Very low115 Ų115126.1 Ų126.175%0.74779%0.789SS**  -143171.2114.832-15000113.2
75S39.4Very low39.9Very low97 Ų97124.3 Ų124.368%0.67879%0.789SS**  cis-171.3137.6-23.1-900000109
76E31.9Very low40Very low190 Ų190124.9 Ų124.989%0.88879%0.793SS**  trans-157.8141.4155.9-155.880.4-109.900108.2
77Y34.7Very low40Very low206 Ų206124.7 Ų124.781%0.80880%0.803SS**  trans-122.6168.1-177.6-101.9-109.6000108.8
78P46.6Very low39.9Very low107 Ų107124.3 Ų124.370%0.69581%0.806SS**  cis-141.5173.725.441.9-22.9000118.4
79H39.8Very low39.8Very low176 Ų176122.5 Ų122.582%0.81581%0.805SS**  trans-115.4160151.3-58.8-72.1000108.8
80P49.1Very low39.9Very low132 Ų132126.7 Ų126.786%0.85781%0.813SS**  -141.1174.788.938.7-24.5000114.1
81A48.3Very low40.8Very low103 Ų103126.7 Ų126.785%0.85181%0.811SS**  trans-106.6151-179.400000113.3
82A35Very low41.3Very low93 Ų93126.4 Ų126.477%0.76981%0.808SS**  trans-140.6119.416100000106.8
83A35.2Very low42.3Very low101 Ų101125 Ų12584%0.83581%0.812SS**  87.3131.959.800000112.3
84V40.3Very low42.6Very low150 Ų150125 Ų12591%0.90981%0.813SS**  trans-90.1140.2-166.2179.70000111.5
85A34.8Very low43.1Very low99 Ų99127.5 Ų127.582%0.81882%0.817SS**  trans-135.9141.3162.800000109.7
86A44.3Very low44Very low106 Ų106128.9 Ų128.988%0.87682%0.824SS**  trans-95.3149.5-176.700000112.3
87A38.4Very low45.2Very low108 Ų108125.2 Ų125.289%0.89382%0.819SS**  trans-130.7137.9165.800000108.8
88A38.7Very low46.2Very low105 Ų105120.9 Ų120.987%0.86882%0.816SS**  trans-109135.3-167.300000113.2
89G39.9Very low46.2Very low69 Ų69122.3 Ų122.371%0.71183%0.825SS**  trans73117.7152.400000118.6
90Q43.2Very low46.9Very low187 Ų187117.6 Ų117.687%0.87483%0.825SS**  -176.7145.3120.9-90.9-49-45.400108.7
91P55.5Low46.8Very low113 Ų113116.4 Ų116.473%0.73483%0.826SS**  trans-104.3119.5-179.435.3-25.7000113.1
92A46Very low47.3Very low85 Ų85115.6 Ų115.670%0.70282%0.819SS**  trans-156.1103.4163.100000111.5M94A92-M94 PolarHBondContact O-N 3.08Å
93A55Low47.9Very low108 Ų108117.2 Ų117.289%0.89382%0.822SS**  trans-8057.2172.600000111.6M95A93-M95 PolarHBondContact O-N 2.88Å
94M48Very low48.5Very low175 Ų175117.3 Ų117.386%0.86282%0.823SS**  trans-84.890.7173.6-77.9-175.1160.400110A92A92-M94 PolarHBondContact O-N 3.08Å
95M61.3Low48.8Very low168 Ų168115.8 Ų115.883%0.82881%0.814SS**PPolyproline II helixtrans-65.4138.1167.4-70.7-168.370.200110.3A93 S97A93-M95 PolarHBondContact O-N 2.88Å; M95-S97 PolarHBondContact O-N 2.94Å
96P58.5Low49.4Very low125 Ų125116.9 Ų116.981%0.81281%0.813SS**PPolyproline II helixtrans-71.7116.4175.128.6-33.1000110.4
97S55.9Low49.7Very low113 Ų113122 Ų12279%0.7981%0.811SS**PPolyproline II helixtrans-63.9134172.7-60.60000111.1M95M95-S97 PolarHBondContact O-N 2.94Å
98P55.7Low50.2Low116 Ų116121.4 Ų121.475%0.75381%0.806SS**PPolyproline II helixtrans-70142.517629.1-34.3000111.2
99P48.3Very low51.2Low136 Ų136123.3 Ų123.388%0.88380%0.8SS**SBendtrans-75.3130.8178.330.2-33.7000111.2
100G53.9Low52.1Low78 Ų78125.2 Ų125.280%0.80480%0.8SS**  trans129.338.3169.100000117.6A102G100-A102 PolarHBondContact O-N 3.4Å
101A46.8Very low52.8Low107 Ų107124.3 Ų124.388%0.88480%0.796SS**  trans-84.895.8169.200000111.1
102A57.8Low52.9Low86 Ų86127.4 Ų127.471%0.71180%0.798SS**PPolyproline II helixtrans-75.3150.416800000110.9G100 A104G100-A102 PolarHBondContact O-N 3.4Å; A102-A104 PolarHBondContact O-N 3.31Å
103P47.7Very low53.7Low126 Ų126128.1 Ų128.182%0.81880%0.796SS**PPolyproline II helixtrans-65.8133.9-177.226.6-34.5000111.9
104A49Very low53.8Low104 Ų104131 Ų13186%0.8679%0.788SS**PPolyproline II helixtrans-69132-177.500000112.3A102A102-A104 PolarHBondContact O-N 3.31Å
105T46.8Very low53.9Low117 Ų117128.9 Ų128.972%0.71878%0.78SS**PPolyproline II helixtrans-82.9152169.849.60000110.6Y107T105-Y107 PolarHBondContact O-N 3.38Å
106P47.5Very low53.5Low122 Ų122128.3 Ų128.379%0.79278%0.775SS**SBendtrans-77.111.3-160.530.1-37.5000116.5
107Y50.3Low53.4Low214 Ų214128.6 Ų128.684%0.83977%0.774SS**  trans-103.564.2179.7-76.5-82.4000111.7T105 I109T105-Y107 PolarHBondContact O-N 3.38Å; Y107-I109 PolarHBondContact O-N 3.14Å
108A48.2Very low53.1Low96 Ų96126.3 Ų126.379%0.79376%0.762SS**  trans-75.5107.3175.900000111.3
109I60Low52.8Low145 Ų145124.4 Ų124.474%0.74476%0.757SS**  trans-69.8138.4166.9-61.2176.6000108.4Y107 Q111Y107-I109 PolarHBondContact O-N 3.14Å; I109-Q111 PolarHBondContact O-N 2.98Å
110P58.3Low52.8Low109 Ų109121.6 Ų121.671%0.70875%0.745SS**  trans-56.4111.2177.5-26.935.9000112.1F112P110-F112 PolarHBondContact O-N 3.33Å
111Q58.8Low52.6Low167 Ų167121.2 Ų121.278%0.7873%0.734SS**  trans-91.9102.8-167.8-160.3158.3-19.700110.2I109I109-Q111 PolarHBondContact O-N 2.98Å
112F57.4Low52.7Low178 Ų178119.8 Ų119.878%0.78172%0.723SS**  trans-63.5147176.7-77.9-88.5000111.4P110 F114P110-F112 PolarHBondContact O-N 3.33Å; F112-F114 PolarHBondContact O-N 3.12Å
113P63.5Low52.4Low101 Ų101120 Ų12066%0.65672%0.724SS**SBendtrans-77.922.8-16031.7-38.2000115.9
114F55.3Low52.4Low167 Ų167123 Ų12373%0.73272%0.724SS**SBendtrans-135148-178.7-60.2-69.2000112F112F112-F114 PolarHBondContact O-N 3.12Å
115N49.9Very low52.2Low131 Ų131122 Ų12270%0.70172%0.715SS**  trans83.150.2169.2-51.2-34.3000119.2V117N115-V117 PolarHBondContact O-N 3.27Å
116H54.1Low52.4Low156 Ų156120.9 Ų120.972%0.72272%0.719SS**Hα-helixtrans-61-20.3162.5-61.5-68.2000114.1
117V56.2Low52.6Low131 Ų131119.9 Ų119.979%0.79471%0.71SS**Hα-helixtrans-74.7-30.5-175.6-176.20000112.9N115N115-V117 PolarHBondContact O-N 3.27Å
118A49.3Very low52.7Low65 Ų65115.7 Ų115.754%0.53771%0.709SS.*Hα-helixtrans-73-34.9-172.400000113.6A120 A121A118-A120 VanDerWaalsContact C-N 3.32Å; A118-A120 PolarHBondContact O-N 3.25Å; A118-A121 PolarHBondContact O-N 2.94Å
119A49.7Very low52.8Low77 Ų77118.9 Ų118.964%0.63671%0.708SS**Hα-helixtrans-63.8-35-17500000113.2A121A119-A121 VanDerWaalsContact C-N 3.33Å; A119-A121 PolarHBondContact O-N 3.26Å
120A48.3Very low52.3Low77 Ų77115.6 Ų115.664%0.63670%0.702SS**Hα-helixtrans-71.1-26.4178.800000113.3A118A118-A120 VanDerWaalsContact C-N 3.32Å; A118-A120 PolarHBondContact O-N 3.25Å
121A49.3Very low51.6Low69 Ų69120.1 Ų120.157%0.5771%0.711SS**Hα-helixtrans-74.7-35.7179.900000112.5A118 A119 A123 K124A118-A121 PolarHBondContact O-N 2.94Å; A119-A121 VanDerWaalsContact C-N 3.33Å; A119-A121 PolarHBondContact O-N 3.26Å; A121-A123 PolarHBondContact O-N 2.88Å; A121-K124 PolarHBondContact O-N 3.11Å; A121-K124 VanDerWaalsContact O-N 3.12Å
122A49.8Very low51.5Low78 Ų78119 Ų11965%0.64571%0.705SS**Hα-helixtrans-59.3-33.6-177.700000113.2K124A122-K124 PolarHBondContact O-N 2.95Å
123A50.8Low51.6Low90 Ų90115.2 Ų115.274%0.74470%0.698SS**THydrogen-bonded Turntrans-70.2-11.418000000114.5A121A121-A123 PolarHBondContact O-N 2.88Å
124K47.3Very low50.9Low190 Ų190120.7 Ų120.783%0.82671%0.707SS**THydrogen-bonded Turntrans-112.87.6-174.2-145.5-179.7-177.4-1790114.5A121 A122A121-K124 PolarHBondContact O-N 3.11Å; A121-K124 VanDerWaalsContact O-N 3.12Å; A122-K124 PolarHBondContact O-N 2.95Å
125A46.2Very low50.9Low81 Ų81117.8 Ų117.867%0.66970%0.699SS**  trans-96.910.9-17700000114.6T127A125-T127 VanDerWaalsContact C-N 3.28Å; A125-T127 PolarHBondContact O-N 2.83Å
126A51Low51Low95 Ų95120.9 Ų120.979%0.78571%0.707SS**  trans-82.855.9-173.700000114
127T51.3Low51.1Low101 Ų101117.1 Ų117.162%0.6270%0.703SS**  trans-142.9101.8175.34.40000111.8A125 H129A125-T127 VanDerWaalsContact C-N 3.28Å; A125-T127 PolarHBondContact O-N 2.83Å; T127-H129 PolarHBondContact O-N 3.01Å
128P52.8Low50.9Low126 Ų126114.5 Ų114.582%0.81870%0.695SS**  trans-84.990.7-178.933.3-33.4000111.5
129H49.3Very low51.1Low163 Ų163116.3 Ų116.376%0.75571%0.71SS**  trans-109.7115.4167.2-72.4-59.8000110.8T127 F131T127-H129 PolarHBondContact O-N 3.01Å; H129-F131 PolarHBondContact O-N 3.38Å
130A48.8Very low51.1Low75 Ų75116 Ų11662%0.6271%0.707SS**  trans-68.3126.8-172.200000112.4H132A130-H132 PolarHBondContact O-CD2 3.27Å; A130-H132 PolarHBondContact O-N 3.23Å
131F44.6Very low51.2Low204 Ų204115.1 Ų115.190%0.89571%0.706SS**  trans-72.4105.9167.8-103.1-105.4000109.7H129 P133H129-F131 PolarHBondContact O-N 3.38Å; F131-P133 WeakPolarHBondContact O-CD 3.21Å
132H57.4Low51.3Low145 Ų145120.2 Ų120.267%0.67172%0.723SS**  trans-95.3109.8168.7-67.7-83.8000109.2A130 Y134A130-H132 PolarHBondContact O-CD2 3.27Å; A130-H132 PolarHBondContact O-N 3.23Å; H132-Y134 PolarHBondContact O-N 2.96Å; H132-Y134 VanDerWaalsContact O-N 3.12Å
133P58.9Low51.4Low97 Ų97128.2 Ų128.263%0.6374%0.736SS**SBendtrans-73.5-2.3-171.528.5-35.4000115.1F131F131-P133 WeakPolarHBondContact O-CD 3.21Å
134Y49.1Very low51.3Low216 Ų216128 Ų12885%0.84773%0.734SS**  trans-123.271.1-176.7-60.2-66.5000111.9H132H132-Y134 PolarHBondContact O-N 2.96Å; H132-Y134 VanDerWaalsContact O-N 3.12Å
135N55.1Low51.4Low106 Ų106130.1 Ų130.157%0.56774%0.737SS**  trans-143.548.1172.1-153.9-5.6000115.1A137 A138N135-A137 PolarHBondContact O-N 2.94Å; N135-A138 WeakPolarHBondContact OD1-CB 3.16Å; N135-A138 PolarHBondContact OD1-N 3.05Å
136F52.6Low51.7Low197 Ų197134.4 Ų134.486%0.86475%0.749SS**SBendtrans-72.3-9.2168.2-71.3-80.4000113.5
137A54.3Low51.3Low76 Ų76134.2 Ų134.263%0.62875%0.747SS**SBendtrans-79.3-33.8-177.900000113.8N135 A139 A140N135-A137 PolarHBondContact O-N 2.94Å; A137-A139 VanDerWaalsContact C-N 3.28Å; A137-A139 PolarHBondContact O-N 3.29Å; A137-A140 PolarHBondContact O-N 3.21Å
138A53.5Low50.9Low76 Ų76134 Ų13463%0.62876%0.755SS**THydrogen-bonded Turntrans-63.3-27.7-171.900000114.7N135N135-A138 WeakPolarHBondContact OD1-CB 3.16Å; N135-A138 PolarHBondContact OD1-N 3.05Å
139A52Low50.8Low103 Ų103135.8 Ų135.885%0.85176%0.757SS**THydrogen-bonded Turntrans-82.5-17.3-178.100000114.4A137A137-A139 VanDerWaalsContact C-N 3.28Å; A137-A139 PolarHBondContact O-N 3.29Å
140A50.4Low50.5Low71 Ų71135.5 Ų135.559%0.58776%0.756SS**THydrogen-bonded Turntrans-101-14.3-173.500000114.3A137 L142A137-A140 PolarHBondContact O-N 3.21Å; A140-L142 VanDerWaalsContact C-N 3.26Å; A140-L142 PolarHBondContact O-N 3.48Å
141G49.9Very low50Low59 Ų59139.6 Ų139.661%0.60876%0.762SS**THydrogen-bonded Turntrans-66.4-11.1-165.400000117.5
142L52.1Low50.2Low176 Ų176139.1 Ų139.192%0.92176%0.763SS**THydrogen-bonded Turntrans-90.3-2.3-169.9-142.877.5000115.6A140A140-L142 VanDerWaalsContact C-N 3.26Å; A140-L142 PolarHBondContact O-N 3.48Å
143R52.7Low49.4Very low246 Ų246137.6 Ų137.693%0.92877%0.768SS**SBendtrans-120.9-4-176.5-69.7-169.3175.9102.6-1.2115.9
144A46.8Very low48.5Very low84 Ų84140.7 Ų140.769%0.69477%0.774SS**  trans-111.737.3-171.300000114.5
145R50.2Low48.2Very low235 Ų235135.3 Ų135.389%0.88777%0.766SS**  trans-104.975.1166.6-77.2-165.1172.1-147.4-2.6110.7
146N51.8Low48Very low172 Ų172136.1 Ų136.192%0.9277%0.774SS**  trans176.559.6152.1-89.3-17.6000111.7
147A44.5Very low47.8Very low90 Ų90134.8 Ų134.874%0.74477%0.77SS**  trans-138.894.7156.100000104.8
148A41.2Very low47.7Very low97 Ų97137.9 Ų137.980%0.80278%0.781SS**  77.9130.58900000111.2
149L51.3Low47.5Very low163 Ų163138.9 Ų138.985%0.85378%0.783SS**  trans-59.1147.2-178.5-64.570000110.1
150H42.9Very low47.3Very low158 Ų158140.3 Ų140.373%0.73178%0.784SS**  -170.1149.4124.8-113.9-118.7000111.7
151H39.6Very low47.2Very low161 Ų161141 Ų14175%0.74579%0.79SS**  trans52.9111.5168.5-61-61.1000120.6
152Q47.4Very low47.3Very low194 Ų194143.2 Ų143.291%0.90780%0.796SS**  trans-64.7142.7144-61.2167.7-29.700110
153S40.5Very low47.1Very low112 Ų112140.2 Ų140.278%0.78379%0.789SS**  trans-158.7146.3152.5490000110.9
154E40.4Very low47.3Very low163 Ų163138.3 Ų138.376%0.76278%0.782SS**  trans-73.4150-170.4-67.9-68.5116.400113.9V156E154-V156 PolarHBondContact O-N 3.35Å
155P43.6Very low47.5Very low103 Ų103140.6 Ų140.667%0.66979%0.79SS**  trans-74.885.2169.632.5-34.1000110.9H157P155-H157 PolarHBondContact O-CD2 3.44Å; P155-H157 PolarHBondContact O-N 3.28Å; P155-H157 VanDerWaalsContact O-N 3.16Å
156V49.9Very low46.9Very low122 Ų122134.8 Ų134.874%0.73979%0.785SS**  trans-65115.4178-179.10000110.7E154 V158E154-V156 PolarHBondContact O-N 3.35Å; V156-V158 PolarHBondContact O-N 3.16Å
157H47.7Very low46.3Very low170 Ų170132 Ų13279%0.78778%0.779SS**  trans-66.4102179-73.2-108.1000111.7P155 S159P155-H157 PolarHBondContact O-CD2 3.44Å; P155-H157 PolarHBondContact O-N 3.28Å; P155-H157 VanDerWaalsContact O-N 3.16Å; H157-S159 VanDerWaalsContact C-N 3.29Å; H157-S159 PolarHBondContact O-N 2.98Å
158V53.4Low46.1Very low140 Ų140132.5 Ų132.585%0.84878%0.778SS**  trans-7577.6170.6-77.90000111.7V156V156-V158 PolarHBondContact O-N 3.16Å
159S48.1Very low46.2Very low97 Ų97133.8 Ų133.868%0.67878%0.781SS**  trans-61.2137165.9-66.80000110.8H157 A161H157-S159 VanDerWaalsContact C-N 3.29Å; H157-S159 PolarHBondContact O-N 2.98Å; S159-A161 VanDerWaalsContact C-N 3.35Å; S159-A161 PolarHBondContact O-N 3.12Å
160P49.1Very low45.9Very low134 Ų134131.9 Ų131.987%0.8778%0.778SS**  trans-65.389.4171.8-22.734.9000111.7S162P160-S162 PolarHBondContact O-N 3.21Å; P160-S162 VanDerWaalsContact O-N 3.11Å
161A47.5Very low45.7Very low85 Ų85130.9 Ų130.970%0.70278%0.783SS**  trans-66.8109.218000000110.7S159 S163S159-A161 VanDerWaalsContact C-N 3.35Å; S159-A161 PolarHBondContact O-N 3.12Å; A161-S163 PolarHBondContact O-N 3.46Å
162S52.7Low46Very low105 Ų105132 Ų13273%0.73479%0.789SS**  trans-68.292.6-179.1-178.50000111.8P160 R164P160-S162 PolarHBondContact O-N 3.21Å; P160-S162 VanDerWaalsContact O-N 3.11Å; S162-R164 VanDerWaalsContact C-N 3.33Å; S162-R164 PolarHBondContact O-N 3.39Å
163S47.4Very low45.7Very low113 Ų113131.8 Ų131.879%0.7979%0.788SS**  trans-90.859.9173.8-65.70000112.1A161 P165A161-S163 PolarHBondContact O-N 3.46Å; S163-P165 WeakPolarHBondContact O-CD 3.22Å
164R57.8Low46Very low207 Ų207134.6 Ų134.678%0.78179%0.788SS**PPolyproline II helixtrans-71.7121.2157-74.1-176.6174.2-175.4-2.1107.7S162 S166S162-R164 VanDerWaalsContact C-N 3.33Å; S162-R164 PolarHBondContact O-N 3.39Å; R164-S166 PolarHBondContact O-N 2.98Å
165P50.8Low46.3Very low132 Ų132132.8 Ų132.886%0.85779%0.788SS**PPolyproline II helixtrans-66.3117171.727.1-32.3000108.8S163S163-P165 WeakPolarHBondContact O-CD 3.22Å
166S37.8Very low46.7Very low112 Ų112134.5 Ų134.578%0.78379%0.791SS**PPolyproline II helixtrans-91.7135.1-177.6-760000112.3R164R164-S166 PolarHBondContact O-N 2.98Å
167S38.8Very low46.8Very low113 Ų113136.9 Ų136.979%0.7980%0.799SS**  trans86.5159.1150.8-150.70000120.3
168S39.3Very low47.1Very low102 Ų102137.5 Ų137.571%0.71380%0.799SS**  trans59.498.6162.746.10000118.7P170S168-P170 WeakPolarHBondContact O-CD 3.47Å
169S44.4Very low47.1Very low124 Ų124139 Ų13987%0.86780%0.801SS**PPolyproline II helixtrans-65.3127.1156.3-460000111.1
170P43.6Very low47.1Very low123 Ų123141.9 Ų141.980%0.79981%0.809SS**PPolyproline II helixtrans-86.3145.4162.4-4.824.5000110.5S168S168-P170 WeakPolarHBondContact O-CD 3.47Å
171T40Very low47Very low137 Ų137141.8 Ų141.884%0.8481%0.806SS**PPolyproline II helixtrans-68.6163.1165.746.70000111.3Q173T171-Q173 PolarHBondContact O-N 3.24Å
172Q44.6Very low46.8Very low185 Ų185142.1 Ų142.186%0.86480%0.803SS**PPolyproline II helixtrans-48.2136170.5-58177.51.300111.5
173Q41.6Very low46.7Very low189 Ų189143.8 Ų143.888%0.88380%0.802SS**  trans-159.7104.4131-82-132.7-24.800111.7T171 V175T171-Q173 PolarHBondContact O-N 3.24Å; Q173-V175 PolarHBondContact O-N 3.23Å
174H46.8Very low46.7Very low170 Ų170146.4 Ų146.479%0.78780%0.802SS**  trans-24.4109.3159173.4-73.6000117.2
175V46.3Very low46.4Very low126 Ų126141.7 Ų141.776%0.76480%0.796SS**  trans-140.2129.8153.8-177.80000110.6Q173 L177Q173-V175 PolarHBondContact O-N 3.23Å; V175-L177 PolarHBondContact O-N 3.12Å
176L53.2Low46.3Very low139 Ų139140.9 Ų140.973%0.72879%0.794SS**  trans-61.6123.4173.9-92.557.5000112.4
177L52.7Low46.6Very low172 Ų172140.7 Ų140.790%0.90179%0.793SS**  trans-134.1120141-87.7107.3000110.2V175V175-L177 PolarHBondContact O-N 3.12Å
178K52.5Low47.3Very low183 Ų183142.4 Ų142.480%0.79679%0.791SS**  trans-95.4114.6-170.4170.4174.159.8-1790110.5
179L53Low47.6Very low172 Ų172144.6 Ų144.690%0.90179%0.79SS**  trans-133.7126.4157.5-75179.2000109.4
180N48.8Very low48Very low156 Ų156146.9 Ų146.983%0.83479%0.787SS**  trans-71133.2174-66-53.8000109.6
181T46.8Very low48.3Very low133 Ų133148.2 Ų148.282%0.81678%0.783SS**  trans-127.5131.2140.1-164.80000107I183T181-I183 PolarHBondContact O-N 3.47Å
182S43.4Very low48.9Very low91 Ų91147.5 Ų147.564%0.63678%0.783SS**  trans-79.5116.8-167.8-154.50000110.3E184S182-E184 PolarHBondContact O-N 3.19Å; S182-E184 WeakPolarHBondContact OG-CG 3.35Å
183I51.6Low49.1Very low140 Ų140142.8 Ų142.872%0.71878%0.776SS**  trans-89.287.6162-63.4-179.9000106.2T181 T185T181-I183 PolarHBondContact O-N 3.47Å; I183-T185 HydrophobicContact CG2-CG2 3.71Å; I183-T185 PolarHBondContact O-N 3.43Å
184E46.9Very low49.6Very low168 Ų168139.6 Ų139.679%0.78577%0.774SS**  trans-7663172-62.3-173.7142.100109.8S182 S186S182-E184 PolarHBondContact O-N 3.19Å; S182-E184 WeakPolarHBondContact OG-CG 3.35Å; E184-S186 PolarHBondContact O-N 3.37Å; E184-S186 VanDerWaalsContact O-N 3.13Å
185T51.4Low49.8Very low108 Ų108139.5 Ų139.566%0.66378%0.78SS**  trans-67.6106.6162.639.70000108.2I183 S187I183-T185 HydrophobicContact CG2-CG2 3.71Å; I183-T185 PolarHBondContact O-N 3.43Å; T185-S187 PolarHBondContact O-N 2.99Å
186S47.7Very low50.1Low116 Ų116136.1 Ų136.181%0.81177%0.77SS**  trans-61.477.5170-54.70000111E184 I188E184-S186 PolarHBondContact O-N 3.37Å; E184-S186 VanDerWaalsContact O-N 3.13Å; S186-I188 PolarHBondContact O-N 3.22Å
187S45.3Very low50Low107 Ų107136.7 Ų136.775%0.74877%0.774SS**  trans-7597.4175.7-164.80000108.7T185 H189T185-S187 PolarHBondContact O-N 2.99Å; S187-H189 PolarHBondContact O-N 3.28Å
188I52.9Low50Low149 Ų149133.2 Ų133.276%0.76476%0.764SS**  trans-53.989177.343.6160.6000112.5S186 E190S186-I188 PolarHBondContact O-N 3.22Å; I188-E190 PolarHBondContact O-N 3.06Å
189H46.7Very low50.4Low149 Ų149131.9 Ų131.969%0.6977%0.766SS**  trans-84.858.7172.2-158.667.4000111.6S187 Q191S187-H189 PolarHBondContact O-N 3.28Å; H189-Q191 PolarHBondContact O-N 3.36Å
190E51.4Low50.2Low171 Ų171135.1 Ų135.180%0.79978%0.784SS**  trans-72.468170.1-74.3-71.2147.900110I188I188-E190 PolarHBondContact O-N 3.06Å
191Q51.4Low50.3Low152 Ų152134.1 Ų134.171%0.7178%0.782SS**  trans-132.652.9173.6-69-161.6-37.300111.7H189H189-Q191 PolarHBondContact O-N 3.36Å
192S51.9Low50.5Low121 Ų121134.2 Ų134.285%0.84678%0.78SS**  trans-100.969.8169.7-70.20000111.5
193A48.6Very low50.8Low86 Ų86136.6 Ų136.671%0.71179%0.788SS**  trans-144.8114.9156.900000106
194S51.6Low50.8Low122 Ų122136.4 Ų136.485%0.85379%0.792SS**  cis58.670.446.9-49.90000112
195D51Low51Low169 Ų169134.4 Ų134.490%0.90479%0.792SS**  trans-134.8156.4134.4-143.1-5.5000109
196G53.2Low51Low54 Ų54136.1 Ų136.156%0.55780%0.801SS**  trans-144.6-174.2178.200000110.1
197D51.4Low51.3Low151 Ų151137.6 Ų137.681%0.80780%0.8SS**  trans69.4154.5-168.8-127.663.1000112.2
198S53.2Low51.7Low100 Ų100139.9 Ų139.970%0.69980%0.804SS**  cis-135.7168.29.1-54.30000112.3
199D59.4Low51.6Low155 Ų155139.2 Ų139.283%0.82981%0.807SS**  trans-63144.3170.4-60.1-104.3000114.8
200D49.7Very low52.1Low240 Ų240138.3 Ų138.3100%1.28382%0.818SS**  -169.10117.3-16456.7000110.5

Retrieved 200 of 200 residues in 98.2 ms (Link to these results)