A0A3Q0KBB4_SCHMA Loading...

Selenoprotein K

AlphaFold DB , UniProt , Accession A0A3Q0KBB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 86 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
1M53.2Low64.9Low210 Ų210105.3 Ų105.3100%1.03462%0.622SS**  0103.1038.2-175.7167.700107.8F3M1-F3 HydrophobicContact CG-CE2 4.23Å; M1-F3 HydrophobicContact CG-CZ 4.34Å; M1-F3 HydrophobicContact SD-CZ 4.12Å
2T59.3Low64.4Low103 Ų103106.8 Ų106.863%0.63263%0.625SS**  trans-81.4123.817745.30000108.4
3F60.5Low64Low133 Ų133115.5 Ų115.558%0.58364%0.641SS**EExtended strand (participates in β ladder)trans-91.8119.3175-64.7-83.8000108.3M1 V11M1-F3 HydrophobicContact CG-CE2 4.23Å; M1-F3 HydrophobicContact CG-CZ 4.34Å; M1-F3 HydrophobicContact SD-CZ 4.12Å; F3-V11 PolarHBondContact O-N 3.15Å
4V67.1Low63.6Low91 Ų91118.4 Ų118.455%0.55265%0.647SS**EExtended strand (participates in β ladder)trans-105.9122.6178.3-1750000107.3
5T67Low63.3Low62 Ų62118.5 Ų118.538%0.3866%0.656SS.*  trans-74.8158.4172.345.70000110.4S7 G8 N9 V11T5-S7 PolarHBondContact O-N 3.14Å; T5-S7 PolarHBondContact OG1-OG 3.23Å; T5-G8 PolarHBondContact O-N 3.29Å; T5-N9 PolarHBondContact N-O 2.88Å; T5-N9 PolarHBondContact OG1-O 2.9Å; T5-V11 HydrophobicContact CG2-CG2 3.8Å
6S69.4Low63.2Low140 Ų140122.4 Ų122.498%0.97966%0.658SS**THydrogen-bonded Turntrans-56.2-14.517852.90000114.7
7S76Confident63Low85 Ų85117.2 Ų117.259%0.59464%0.639SS**THydrogen-bonded Turntrans-88.26.2174.150.70000115T5 N9T5-S7 PolarHBondContact O-N 3.14Å; T5-S7 PolarHBondContact OG1-OG 3.23Å; S7-N9 PolarHBondContact O-N 3.36Å
8G67.4Low62.9Low56 Ų56117.4 Ų117.458%0.57764%0.638SS**SBendtrans75.24.517600000115.4T5T5-G8 PolarHBondContact O-N 3.29Å
9N68.2Low63Low109 Ų109122.8 Ų122.858%0.58365%0.648SS**  trans-78.8128.5173.4-88.6-50.1000110.8T5 S7 V11T5-N9 PolarHBondContact N-O 2.88Å; T5-N9 PolarHBondContact OG1-O 2.9Å; S7-N9 PolarHBondContact O-N 3.36Å; N9-V11 PolarHBondContact O-N 3.26Å
10I63.5Low63.1Low109 Ų109123.4 Ų123.456%0.55964%0.642SS**EExtended strand (participates in β ladder)trans-74.7106171.8-59.4159000106.7D12I10-D12 VanDerWaalsContact C-N 3.35Å; I10-D12 WeakPolarHBondContact CG2-OD1 3.47Å; I10-D12 PolarHBondContact O-N 3.02Å; I10-D12 VanDerWaalsContact O-N 3.14Å
11V61.9Low63.6Low60 Ų60119.9 Ų119.936%0.36463%0.628SS.*EExtended strand (participates in β ladder)trans-85.684.3176.1-176.70000107.7F3 T5 N9 R13F3-V11 PolarHBondContact O-N 3.15Å; T5-V11 HydrophobicContact CG2-CG2 3.8Å; N9-V11 PolarHBondContact O-N 3.26Å; V11-R13 HydrophobicContact CG1-CB 4.33Å; V11-R13 PolarHBondContact O-N 2.94Å; V11-R13 VanDerWaalsContact O-N 3.15Å
12D59.6Low64.8Low123 Ų123116 Ų11666%0.65861%0.606SS**  trans-702.1172.7-78.4-32000113.6I10 Q14I10-D12 VanDerWaalsContact C-N 3.35Å; I10-D12 WeakPolarHBondContact CG2-OD1 3.47Å; I10-D12 PolarHBondContact O-N 3.02Å; I10-D12 VanDerWaalsContact O-N 3.14Å; D12-Q14 PolarHBondContact O-N 3.04Å
13R58.5Low65.8Low221 Ų221116.7 Ų116.783%0.83460%0.601SS**  trans-89.180.7-176.2-73.9-178.4179.9171.91.3111V11V11-R13 HydrophobicContact CG1-CB 4.33Å; V11-R13 PolarHBondContact O-N 2.94Å; V11-R13 VanDerWaalsContact O-N 3.15Å
14Q58.5Low66.9Low155 Ų155115.1 Ų115.172%0.72460%0.598SS**  trans-17118146-95.4176.1-21.200112.2D12 W16D12-Q14 PolarHBondContact O-N 3.04Å; Q14-W16 PolarHBondContact O-N 2.99Å
15P59.5Low67.8Low120 Ų120115.2 Ų115.278%0.77960%0.595SS**SBendtrans-77.714.1-165.831-36.2000114.9G17P15-G17 PolarHBondContact O-N 3.07Å
16W61.7Low68.7Low182 Ų182118.1 Ų118.169%0.68961%0.608SS**SBendtrans-75.447.5168.8-38.480.7000109.8Q14Q14-W16 PolarHBondContact O-N 2.99Å
17G59.7Low69.5Low33 Ų33115.5 Ų115.534%0.3458%0.583SS.*  trans-49.9153.2-164.800000111.6P15 R19 Y20 S21P15-G17 PolarHBondContact O-N 3.07Å; G17-R19 CarbonylContact O-C 3.42Å; G17-R19 PolarHBondContact O-N 2.79Å; G17-Y20 WeakPolarHBondContact O-CA 3.27Å; G17-Y20 PolarHBondContact O-N 3.46Å; G17-S21 PolarHBondContact O-N 3.03Å
18I61.5Low70.2Confident121 Ų121115.8 Ų115.862%0.62158%0.577SS**Hα-helixtrans-41.5-28.3178.9-84.282.6000113.4S21 K22I18-S21 WeakPolarHBondContact CA-OG 3.42Å; I18-S21 PolarHBondContact O-OG 3.01Å; I18-S21 VanDerWaalsContact O-OG 3.07Å; I18-K22 HydrophobicContact CG2-CD 3.96Å; I18-K22 HydrophobicContact CG2-CG 4.4Å; I18-K22 VanDerWaalsContact O-CB 3.27Å; I18-K22 WeakPolarHBondContact O-CB 3.39Å; I18-K22 WeakPolarHBondContact O-CG 3.19Å; I18-K22 PolarHBondContact O-N 3.48Å
19R65.3Low71.3Confident220 Ų220119.3 Ų119.383%0.8358%0.577SS**Hα-helixtrans-66.5-45.4173.1-63.1-173.672.6-164.12.3113.7G17 K22 Q23G17-R19 CarbonylContact O-C 3.42Å; G17-R19 PolarHBondContact O-N 2.79Å; R19-K22 PolarHBondContact O-N 3.35Å; R19-Q23 PolarHBondContact O-N 2.89Å
20Y65.3Low72.2Confident135 Ų135119.1 Ų119.153%0.52958%0.576SS.*Hα-helixtrans-67.8-41.3177.7-161.4-95.8000111.3G17 Q23 L24G17-Y20 WeakPolarHBondContact O-CA 3.27Å; G17-Y20 PolarHBondContact O-N 3.46Å; Y20-Q23 PolarHBondContact O-N 2.7Å; Y20-L24 HydrophobicContact CD1-CD1 3.84Å; Y20-L24 HydrophobicContact CD1-CG 4.48Å; Y20-L24 HydrophobicContact CE1-CD1 3.62Å; Y20-L24 HydrophobicContact CE1-CG 4.2Å; Y20-L24 WeakPolarHBondContact O-CB 3.27Å; Y20-L24 PolarHBondContact O-N 3.28Å
21S73Confident73.3Confident49 Ų49119.2 Ų119.234%0.34358%0.577SS.*Hα-helixtrans-65.1-40.9175.264.40000112.2G17 I18 Q23 L24 L25G17-S21 PolarHBondContact O-N 3.03Å; I18-S21 WeakPolarHBondContact CA-OG 3.42Å; I18-S21 PolarHBondContact O-OG 3.01Å; I18-S21 VanDerWaalsContact O-OG 3.07Å; S21-Q23 VanDerWaalsContact C-N 3.35Å; S21-Q23 PolarHBondContact O-N 2.74Å; S21-L24 PolarHBondContact O-N 2.93Å; S21-L25 WeakPolarHBondContact O-CB 3.48Å; S21-L25 VanDerWaalsContact O-CG 3.27Å; S21-L25 WeakPolarHBondContact O-CG 3.47Å; S21-L25 PolarHBondContact O-N 3.38Å
22K78.3Confident74.5Confident130 Ų130119.9 Ų119.957%0.56558%0.577SS**Hα-helixtrans-58.8-44.5172.6-79.5175.3179.1-172.80112I18 R19 L25 L26I18-K22 HydrophobicContact CG2-CD 3.96Å; I18-K22 HydrophobicContact CG2-CG 4.4Å; I18-K22 VanDerWaalsContact O-CB 3.27Å; I18-K22 WeakPolarHBondContact O-CB 3.39Å; I18-K22 WeakPolarHBondContact O-CG 3.19Å; I18-K22 PolarHBondContact O-N 3.48Å; R19-K22 PolarHBondContact O-N 3.35Å; K22-L25 PolarHBondContact O-N 2.87Å; K22-L26 WeakPolarHBondContact O-CB 3.3Å; K22-L26 VanDerWaalsContact O-CG 3.3Å; K22-L26 WeakPolarHBondContact O-CG 3.5Å; K22-L26 PolarHBondContact O-N 3.29Å
23Q79.8Confident75.7Confident117 Ų117117.7 Ų117.755%0.54757%0.57SS.*Hα-helixtrans-67.6-40179-168.7167.68.300112R19 Y20 S21 L26 N27R19-Q23 PolarHBondContact O-N 2.89Å; Y20-Q23 PolarHBondContact O-N 2.7Å; S21-Q23 VanDerWaalsContact C-N 3.35Å; S21-Q23 PolarHBondContact O-N 2.74Å; Q23-L26 PolarHBondContact O-N 2.87Å; Q23-N27 WeakPolarHBondContact O-CB 3.12Å; Q23-N27 PolarHBondContact O-N 3.22Å; Q23-N27 PolarHBondContact O-ND2 3.43Å
24L84.1Confident76.9Confident99 Ų99111.7 Ų111.752%0.51855%0.554SS.*Hα-helixtrans-60-45.7172.5-102.6169.4000111.9Y20 S21 N27 L28Y20-L24 HydrophobicContact CD1-CD1 3.84Å; Y20-L24 HydrophobicContact CD1-CG 4.48Å; Y20-L24 HydrophobicContact CE1-CD1 3.62Å; Y20-L24 HydrophobicContact CE1-CG 4.2Å; Y20-L24 WeakPolarHBondContact O-CB 3.27Å; Y20-L24 PolarHBondContact O-N 3.28Å; S21-L24 PolarHBondContact O-N 2.93Å; L24-N27 PolarHBondContact O-N 3.41Å; L24-L28 VanDerWaalsContact O-CB 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 PolarHBondContact O-N 3.45Å
25L86Confident78Confident93 Ų93110.1 Ų110.149%0.48755%0.545SS..Hα-helixtrans-62.8-45.9177.7-73.5171.3000111.3S21 K22 N27 L28 F29S21-L25 WeakPolarHBondContact O-CB 3.48Å; S21-L25 VanDerWaalsContact O-CG 3.27Å; S21-L25 WeakPolarHBondContact O-CG 3.47Å; S21-L25 PolarHBondContact O-N 3.38Å; K22-L25 PolarHBondContact O-N 2.87Å; L25-N27 VanDerWaalsContact C-N 3.35Å; L25-N27 PolarHBondContact O-N 3.24Å; L25-L28 WeakPolarHBondContact O-CB 3.31Å; L25-L28 PolarHBondContact O-N 3.38Å; L25-F29 WeakPolarHBondContact O-CD2 3.39Å; L25-F29 PolarHBondContact O-N 3.27Å
26L86.3Confident79.1Confident124 Ų124108.6 Ų108.665%0.64953%0.53SS*.Hα-helixtrans-60.7-43176.8-72.5170.2000112.1K22 Q23 F29 N30K22-L26 WeakPolarHBondContact O-CB 3.3Å; K22-L26 VanDerWaalsContact O-CG 3.3Å; K22-L26 WeakPolarHBondContact O-CG 3.5Å; K22-L26 PolarHBondContact O-N 3.29Å; Q23-L26 PolarHBondContact O-N 2.87Å; L26-F29 PolarHBondContact O-N 3.02Å; L26-N30 PolarHBondContact O-N 2.87Å
27N86.5Confident79.6Confident85 Ų85106.4 Ų106.446%0.45553%0.527SS..Hα-helixtrans-65.3-41.1175.6-75.1-27.8000111.8Q23 L24 L25 N30 I31Q23-N27 WeakPolarHBondContact O-CB 3.12Å; Q23-N27 PolarHBondContact O-N 3.22Å; Q23-N27 PolarHBondContact O-ND2 3.43Å; L24-N27 PolarHBondContact O-N 3.41Å; L25-N27 VanDerWaalsContact C-N 3.35Å; L25-N27 PolarHBondContact O-N 3.24Å; N27-N30 WeakPolarHBondContact O-CB 3.28Å; N27-N30 PolarHBondContact O-N 2.84Å; N27-I31 WeakPolarHBondContact O-CG1 3.48Å; N27-I31 PolarHBondContact O-N 2.85Å
28L89.3Confident80.2Confident90 Ų90107.8 Ų107.847%0.47153%0.529SS..Hα-helixtrans-61.2-45.5175.5-176.471.5000111.2L24 L25 N30 I31 I32L24-L28 VanDerWaalsContact O-CB 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 PolarHBondContact O-N 3.45Å; L25-L28 WeakPolarHBondContact O-CB 3.31Å; L25-L28 PolarHBondContact O-N 3.38Å; L28-N30 VanDerWaalsContact C-N 3.3Å; L28-N30 PolarHBondContact O-N 2.95Å; L28-I31 PolarHBondContact O-N 3.42Å; L28-I32 HydrophobicContact CD2-CD1 4.45Å; L28-I32 HydrophobicContact CG-CD1 3.94Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 3.3Å
29F90.4Very high80.4Confident131 Ų131106.2 Ų106.258%0.57552%0.522SS*.Hα-helixtrans-59.8-40.1174.4-87.3-71.6000112L25 L26 I32 C33L25-F29 WeakPolarHBondContact O-CD2 3.39Å; L25-F29 PolarHBondContact O-N 3.27Å; L26-F29 PolarHBondContact O-N 3.02Å; F29-I32 PolarHBondContact O-N 2.83Å; F29-C33 WeakPolarHBondContact O-CB 3.41Å; F29-C33 PolarHBondContact O-N 3.31Å; F29-C33 PolarHBondContact O-SG 2.95Å
30N86.8Confident80.1Confident104 Ų104100.4 Ų100.456%0.55651%0.506SS*.Hα-helixtrans-63.8-43.2175.9-161.8-22.3000111.6L26 N27 L28 I32 C33 L34L26-N30 PolarHBondContact O-N 2.87Å; N27-N30 WeakPolarHBondContact O-CB 3.28Å; N27-N30 PolarHBondContact O-N 2.84Å; L28-N30 VanDerWaalsContact C-N 3.3Å; L28-N30 PolarHBondContact O-N 2.95Å; N30-I32 PolarHBondContact O-N 3.25Å; N30-C33 PolarHBondContact O-N 3.38Å; N30-L34 VanDerWaalsContact O-CB 3.32Å; N30-L34 WeakPolarHBondContact O-CB 3.31Å; N30-L34 PolarHBondContact O-N 3.21Å
31I87.1Confident79.7Confident112 Ų11296.1 Ų96.157%0.57450%0.495SS*.Hα-helixtrans-61.6-42.6174.2-65.6164.1000111.2N27 L28 L34 F35N27-I31 WeakPolarHBondContact O-CG1 3.48Å; N27-I31 PolarHBondContact O-N 2.85Å; L28-I31 PolarHBondContact O-N 3.42Å; I31-L34 PolarHBondContact O-N 3.45Å; I31-F35 VanDerWaalsContact O-CB 3.22Å; I31-F35 WeakPolarHBondContact O-CB 3.48Å; I31-F35 PolarHBondContact O-N 3.34Å
32I87.5Confident78.8Confident74 Ų7499.6 Ų99.638%0.37951%0.509SS..Hα-helixtrans-65.2-44.8177.3-67.2164000110.7L28 F29 N30 L34 F35 I36L28-I32 HydrophobicContact CD2-CD1 4.45Å; L28-I32 HydrophobicContact CG-CD1 3.94Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 3.3Å; F29-I32 PolarHBondContact O-N 2.83Å; N30-I32 PolarHBondContact O-N 3.25Å; I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 3.46Å; I32-F35 WeakPolarHBondContact O-CB 3.39Å; I32-F35 PolarHBondContact O-N 3.47Å; I32-I36 HydrophobicContact CG2-CD1 3.8Å; I32-I36 HydrophobicContact CG2-CG1 4.44Å; I32-I36 WeakPolarHBondContact O-CB 3.31Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.18Å; I32-I36 PolarHBondContact O-N 2.85Å
33C85.4Confident77.7Confident76 Ų7699.7 Ų99.751%0.51452%0.516SS..Hα-helixtrans-59.9-44175.3-74.20000111.2F29 N30 I36 Q37F29-C33 WeakPolarHBondContact O-CB 3.41Å; F29-C33 PolarHBondContact O-N 3.31Å; F29-C33 PolarHBondContact O-SG 2.95Å; N30-C33 PolarHBondContact O-N 3.38Å; C33-I36 PolarHBondContact O-N 2.84Å; C33-Q37 WeakPolarHBondContact O-CB 3.22Å; C33-Q37 PolarHBondContact O-N 2.76Å
34L83Confident76.4Confident95 Ų95100.2 Ų100.250%0.49752%0.522SS..Hα-helixtrans-68.4-35.5177-165.5123000111.9N30 I31 I32 Q37 T38N30-L34 VanDerWaalsContact O-CB 3.32Å; N30-L34 WeakPolarHBondContact O-CB 3.31Å; N30-L34 PolarHBondContact O-N 3.21Å; I31-L34 PolarHBondContact O-N 3.45Å; I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 3.46Å; L34-Q37 CarbonylContact O-C 3.47Å; L34-Q37 PolarHBondContact O-N 2.79Å; L34-T38 HydrophobicContact CD2-CG2 4.33Å; L34-T38 WeakPolarHBondContact O-CB 3.33Å; L34-T38 VanDerWaalsContact O-CG2 3.27Å; L34-T38 WeakPolarHBondContact O-CG2 3.35Å; L34-T38 PolarHBondContact O-N 3.22Å; L34-T38 PolarHBondContact O-OG1 2.83Å
35F82.4Confident75Confident122 Ų122103.7 Ų103.754%0.53553%0.533SS..Hα-helixtrans-64.7-46.3174.1-179.4-108.3000111.5I31 I32 Q37 T38 L39I31-F35 VanDerWaalsContact O-CB 3.22Å; I31-F35 WeakPolarHBondContact O-CB 3.48Å; I31-F35 PolarHBondContact O-N 3.34Å; I32-F35 WeakPolarHBondContact O-CB 3.39Å; I32-F35 PolarHBondContact O-N 3.47Å; F35-Q37 VanDerWaalsContact C-N 3.35Å; F35-T38 VanDerWaalsContact CA-OG1 3.31Å; F35-T38 WeakPolarHBondContact CA-OG1 3.27Å; F35-T38 PolarHBondContact O-N 3.13Å; F35-T38 PolarHBondContact O-OG1 3.02Å; F35-L39 HydrophobicContact CD1-CD1 3.72Å; F35-L39 HydrophobicContact CD2-CD1 4.31Å; F35-L39 HydrophobicContact CE1-CD1 3.18Å; F35-L39 HydrophobicContact CE1-CG 4.37Å; F35-L39 HydrophobicContact CE2-CD1 3.84Å; F35-L39 HydrophobicContact CE2-CG 4.3Å; F35-L39 HydrophobicContact CG-CD1 4.27Å; F35-L39 HydrophobicContact CZ-CD1 3.27Å; F35-L39 HydrophobicContact CZ-CG 4.18Å; F35-L39 WeakPolarHBondContact O-CB 3.5Å; F35-L39 PolarHBondContact O-N 2.7Å
36I81.3Confident73.2Confident88 Ų88108.1 Ų108.145%0.45154%0.544SS..Hα-helixtrans-63.8-43.3173.6-67.3166.9000109.9I32 C33 T38 L39 L40I32-I36 HydrophobicContact CG2-CD1 3.8Å; I32-I36 HydrophobicContact CG2-CG1 4.44Å; I32-I36 WeakPolarHBondContact O-CB 3.31Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.18Å; I32-I36 PolarHBondContact O-N 2.85Å; C33-I36 PolarHBondContact O-N 2.84Å; I36-T38 PolarHBondContact O-N 3.48Å; I36-L39 PolarHBondContact O-N 3.19Å; I36-L40 HydrophobicContact CG2-CD1 3.4Å; I36-L40 HydrophobicContact CG2-CG 4.24Å; I36-L40 WeakPolarHBondContact O-CB 3.29Å; I36-L40 WeakPolarHBondContact O-CD1 2.83Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.2Å; I36-L40 PolarHBondContact O-N 3.38Å
37Q73.7Confident71.3Confident137 Ų137110.4 Ų110.464%0.6455%0.551SS**Hα-helixtrans-69.4-14.3175.5-167.7-176.916.400113.3C33 L34 F35 P41C33-Q37 WeakPolarHBondContact O-CB 3.22Å; C33-Q37 PolarHBondContact O-N 2.76Å; L34-Q37 CarbonylContact O-C 3.47Å; L34-Q37 PolarHBondContact O-N 2.79Å; F35-Q37 VanDerWaalsContact C-N 3.35Å; Q37-P41 WeakPolarHBondContact O-CD 3.26Å; Q37-P41 WeakPolarHBondContact O-CG 3.32Å
38T70.6Confident69.6Low62 Ų62113.6 Ų113.638%0.3856%0.561SS.*Hα-helixtrans-99.1-34.4174.942.90000110.8L34 F35 I36 P41 L42L34-T38 HydrophobicContact CD2-CG2 4.33Å; L34-T38 WeakPolarHBondContact O-CB 3.33Å; L34-T38 VanDerWaalsContact O-CG2 3.27Å; L34-T38 WeakPolarHBondContact O-CG2 3.35Å; L34-T38 PolarHBondContact O-N 3.22Å; L34-T38 PolarHBondContact O-OG1 2.83Å; F35-T38 VanDerWaalsContact CA-OG1 3.31Å; F35-T38 WeakPolarHBondContact CA-OG1 3.27Å; F35-T38 PolarHBondContact O-N 3.13Å; F35-T38 PolarHBondContact O-OG1 3.02Å; I36-T38 PolarHBondContact O-N 3.48Å; T38-P41 WeakPolarHBondContact O-CD 3.33Å; T38-P41 WeakPolarHBondContact O-CG 3.31Å; T38-L42 WeakPolarHBondContact O-CB 3.13Å; T38-L42 VanDerWaalsContact O-CD1 3.26Å; T38-L42 WeakPolarHBondContact O-CD1 3.41Å; T38-L42 WeakPolarHBondContact O-CG 3.34Å; T38-L42 PolarHBondContact O-N 2.74Å; T38-L42 VanDerWaalsContact O-N 3.14Å
39L66.2Low67.8Low88 Ų88114.2 Ų114.246%0.46157%0.568SS.*Hα-helixtrans-67.4-43.6170.6-86.2171.3000113F35 I36 L42 D43F35-L39 HydrophobicContact CD1-CD1 3.72Å; F35-L39 HydrophobicContact CD2-CD1 4.31Å; F35-L39 HydrophobicContact CE1-CD1 3.18Å; F35-L39 HydrophobicContact CE1-CG 4.37Å; F35-L39 HydrophobicContact CE2-CD1 3.84Å; F35-L39 HydrophobicContact CE2-CG 4.3Å; F35-L39 HydrophobicContact CG-CD1 4.27Å; F35-L39 HydrophobicContact CZ-CD1 3.27Å; F35-L39 HydrophobicContact CZ-CG 4.18Å; F35-L39 WeakPolarHBondContact O-CB 3.5Å; F35-L39 PolarHBondContact O-N 2.7Å; I36-L39 PolarHBondContact O-N 3.19Å; L39-L42 PolarHBondContact O-N 2.78Å; L39-D43 PolarHBondContact O-N 3.32Å; L39-D43 VanDerWaalsContact O-N 3.13Å
40L59.2Low65.9Low97 Ų97112.1 Ų112.151%0.50857%0.57SS.*Hα-helixtrans-57.6-48.9178-83.2159.6000113.1I36 D43 L44I36-L40 HydrophobicContact CG2-CD1 3.4Å; I36-L40 HydrophobicContact CG2-CG 4.24Å; I36-L40 WeakPolarHBondContact O-CB 3.29Å; I36-L40 WeakPolarHBondContact O-CD1 2.83Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.2Å; I36-L40 PolarHBondContact O-N 3.38Å; L40-D43 PolarHBondContact O-N 3.4Å; L40-L44 HydrophobicContact CD2-CD1 4.2Å; L40-L44 VanDerWaalsContact O-CB 3.29Å; L40-L44 WeakPolarHBondContact O-CB 2.7Å; L40-L44 WeakPolarHBondContact O-CD1 3.35Å; L40-L44 PolarHBondContact O-N 2.95Å
41P57.8Low64.2Low45 Ų45114.4 Ų114.429%0.29258%0.582SS.*Hα-helixtrans-76.8-19.7176.831-36.7000112.9Q37 T38 D43 F45Q37-P41 WeakPolarHBondContact O-CD 3.26Å; Q37-P41 WeakPolarHBondContact O-CG 3.32Å; T38-P41 WeakPolarHBondContact O-CD 3.33Å; T38-P41 WeakPolarHBondContact O-CG 3.31Å; P41-D43 VanDerWaalsContact C-N 3.31Å; P41-F45 HydrophobicContact CB-CD2 3.5Å; P41-F45 VanDerWaalsContact CB-CD2 3.5Å; P41-F45 HydrophobicContact CB-CE2 3.92Å; P41-F45 WeakPolarHBondContact O-CA 3.36Å; P41-F45 WeakPolarHBondContact O-CB 3.04Å; P41-F45 PolarHBondContact O-N 3.44Å
42L53.4Low62.4Low122 Ų122116.1 Ų116.164%0.63959%0.588SS**Hα-helixtrans-71.4-28172.2-78166.8000112.1T38 L39 R46T38-L42 WeakPolarHBondContact O-CB 3.13Å; T38-L42 VanDerWaalsContact O-CD1 3.26Å; T38-L42 WeakPolarHBondContact O-CD1 3.41Å; T38-L42 WeakPolarHBondContact O-CG 3.34Å; T38-L42 PolarHBondContact O-N 2.74Å; T38-L42 VanDerWaalsContact O-N 3.14Å; L39-L42 PolarHBondContact O-N 2.78Å; L42-R46 WeakPolarHBondContact O-CB 3.19Å; L42-R46 PolarHBondContact O-N 3.14Å
43D54.2Low60.4Low132 Ų132115.9 Ų115.971%0.70660%0.603SS**Hα-helixtrans-94.7-28.3176-1333.7000113L39 L40 P41L39-D43 PolarHBondContact O-N 3.32Å; L39-D43 VanDerWaalsContact O-N 3.13Å; L40-D43 PolarHBondContact O-N 3.4Å; P41-D43 VanDerWaalsContact C-N 3.31Å
44L53.5Low58.6Low129 Ų129119.5 Ų119.568%0.67562%0.617SS**Hα-helixtrans-87.2-31.4176.7-73.8157.7000114.1L40L40-L44 HydrophobicContact CD2-CD1 4.2Å; L40-L44 VanDerWaalsContact O-CB 3.29Å; L40-L44 WeakPolarHBondContact O-CB 2.7Å; L40-L44 WeakPolarHBondContact O-CD1 3.35Å; L40-L44 PolarHBondContact O-N 2.95Å
45F55.2Low56.7Low172 Ų172119.4 Ų119.475%0.75463%0.625SS**SBendtrans-98.4-0.4172-64.1-84.4000113.8P41 Q47P41-F45 HydrophobicContact CB-CD2 3.5Å; P41-F45 VanDerWaalsContact CB-CD2 3.5Å; P41-F45 HydrophobicContact CB-CE2 3.92Å; P41-F45 WeakPolarHBondContact O-CA 3.36Å; P41-F45 WeakPolarHBondContact O-CB 3.04Å; P41-F45 PolarHBondContact O-N 3.44Å; F45-Q47 PolarHBondContact O-N 2.73Å
46R46.7Very low55.2Low186 Ų186125.3 Ų125.370%0.70264%0.644SS**SBendtrans-74.563.5149.3-167.1172.6-175.6-149.12.2107.7L42 K48L42-R46 WeakPolarHBondContact O-CB 3.19Å; L42-R46 PolarHBondContact O-N 3.14Å; R46-K48 PolarHBondContact O-N 2.84Å
47Q47.8Very low53.8Low171 Ų171127.1 Ų127.180%0.79965%0.654SS**  trans-55.299.1161.2-163.9173.8-0.300104.5F45 T49F45-Q47 PolarHBondContact O-N 2.73Å; Q47-T49 PolarHBondContact O-N 3.02Å
48K50.1Low52.8Low153 Ų153124.9 Ų124.967%0.66567%0.668SS**  trans-5.9103.5165.1-164.2-179.4-172.3-167.80108.3R46 S50R46-K48 PolarHBondContact O-N 2.84Å; K48-S50 PolarHBondContact O-N 2.65Å
49T51.6Low52.3Low103 Ų103132 Ų13263%0.63269%0.688SS**  trans-54.293.4156.756.80000103.3Q47 N51Q47-T49 PolarHBondContact O-N 3.02Å; T49-N51 PolarHBondContact O-N 2.84Å
50S51.5Low52.1Low87 Ų87133.1 Ų133.161%0.60870%0.7SS**  trans-75.570.7179.2550000105.4K48 Q52K48-S50 PolarHBondContact O-N 2.65Å; S50-Q52 PolarHBondContact O-N 2.77Å
51N50.3Low52.2Low151 Ų151134.7 Ų134.781%0.80772%0.716SS**  trans-6728.7156.1-82.3-11.8000110.5T49T49-N51 PolarHBondContact O-N 2.84Å
52Q49.8Very low52.5Low149 Ų149143.1 Ų143.170%0.69674%0.742SS**  trans-14656.7-179.4-77.6-166.2-21.600109.5S50S50-Q52 PolarHBondContact O-N 2.77Å
53G44.9Very low53Low68 Ų68142.6 Ų142.670%0.70175%0.746SS**  trans-99.595.9141.800000106.1S55G53-S55 PolarHBondContact O-N 2.98Å
54N47.2Very low53.1Low152 Ų152142.6 Ų142.681%0.81375%0.753SS**  trans-61.378.7165.4-74-38000108.2
55S43.2Very low52.9Low93 Ų93139.6 Ų139.665%0.6575%0.754SS**  trans-85.6107.6159.6-165.40000105.4G53 D57G53-S55 PolarHBondContact O-N 2.98Å; S55-D57 PolarHBondContact O-N 2.81Å
56W50.1Low52.7Low247 Ų247142.9 Ų142.994%0.93676%0.761SS**SBendtrans-6522.7-179.5-155.9-81.8000113.4
57D52.1Low52.7Low125 Ų125143.8 Ų143.867%0.66877%0.771SS**SBendtrans-123.9101-176.8-75-49.7000108.8S55 R59S55-D57 PolarHBondContact O-N 2.81Å; D57-R59 VanDerWaalsContact C-N 3.27Å; D57-R59 PolarHBondContact O-N 2.73Å
58G52.9Low52.7Low90 Ų90139 Ų13993%0.92877%0.768SS**  trans-64.271-173.900000115
59R60Low52.5Low212 Ų212135.9 Ų135.980%0.878%0.779SS**  trans-121125.2175.5-70.5-173.4176-129.9-1.1111.6D57D57-R59 VanDerWaalsContact C-N 3.27Å; D57-R59 PolarHBondContact O-N 2.73Å
60P62.7Low52.2Low111 Ų111141.7 Ų141.772%0.72180%0.795SS**PPolyproline II helixtrans-68149.6179.126.9-33.3000112R62P60-R62 PolarHBondContact O-N 3.4Å
61P61.4Low51.8Low131 Ų131141.1 Ų141.185%0.85180%0.804SS**PPolyproline II helixtrans-64.6128.3-177.725.8-32.4000110.8
62R63.6Low51.2Low222 Ų222137.3 Ų137.384%0.83880%0.8SS**PPolyproline II helixtrans-80.4139.5179.2-79.3178.2172.2174.5-4.8111.1P60P60-R62 PolarHBondContact O-N 3.4Å
63P63.3Low50.8Low110 Ų110136.2 Ų136.271%0.71481%0.807SS**PPolyproline II helixtrans-63.1158.5176.9-9.520.6000112.1G65P63-G65 VanDerWaalsContact C-N 3.3Å; P63-G65 PolarHBondContact O-N 3.14Å
64P56.7Low50.5Low132 Ų132145 Ų14586%0.85782%0.819SS**  trans-70.387.7179.529.4-31.7000109.9R66P64-R66 PolarHBondContact O-N 2.79Å; P64-R66 VanDerWaalsContact O-N 3.14Å
65G49.4Very low50.5Low67 Ų67141.3 Ų141.369%0.69182%0.817SS**  trans-71.4102.9177.800000110.8P63 F67P63-G65 VanDerWaalsContact C-N 3.3Å; P63-G65 PolarHBondContact O-N 3.14Å; G65-F67 PolarHBondContact O-N 3.18Å
66R51.6Low51.1Low240 Ų240141.5 Ų141.591%0.90682%0.824SS**  trans-68.360.5154.2-74.6-179.2171.2-119.30.5109.9P64P64-R66 PolarHBondContact O-N 2.79Å; P64-R66 VanDerWaalsContact O-N 3.14Å
67F46.1Very low51.4Low206 Ų206135.6 Ų135.690%0.90482%0.818SS**SBendtrans-165.1119.7169.9-95.6-75.7000109.9G65G65-F67 PolarHBondContact O-N 3.18Å
68G47.7Very low51.9Low71 Ų71134.9 Ų134.973%0.73282%0.823SS**  trans82.973.4155.900000116.9F70G68-F70 PolarHBondContact O-N 2.94Å
69G45.5Very low52.7Low87 Ų87134.8 Ų134.890%0.89781%0.813SS**  trans-64.2110.4162.900000111
70F45.5Very low53.2Low224 Ų224130.1 Ų130.198%0.98281%0.81SS**  trans-94.793.9166.1-123.3-93.8000107.4G68G68-F70 PolarHBondContact O-N 2.94Å
71G44.1Very low53.8Low76 Ų76130.9 Ų130.978%0.78482%0.815SS**  trans-178.987.3-179.100000111.8
72G37.8Very low53.8Low71 Ų71133.7 Ų133.773%0.73282%0.819SS**SBendtrans96.6133.2164.300000115.7
73C40.2Very low53.4Low125 Ų125127.7 Ų127.785%0.84582%0.817SS**  trans77.4105.2164.6-61.30000118.2
74R39Very low52.5Low252 Ų252126.1 Ų126.195%0.95182%0.821SS**SBend33.7110.2127-61.1177.8178-123.8-0116.6
75G47.9Very low51.6Low75 Ų75124.1 Ų124.177%0.77382%0.824SS**  trans104.751.6147.600000117.9
76A56.5Low51.1Low97 Ų97128.4 Ų128.480%0.80287%0.868SS**PPolyproline II helixtrans-73.6125.2159.300000108.9
77P56.3Low51Low123 Ų123122.8 Ų122.880%0.79987%0.866SS**PPolyproline II helixtrans-63.5140.6-175.924.2-31.9000111.1
78S62.4Low51.3Low111 Ų111118.4 Ų118.478%0.77686%0.864SS**PPolyproline II helixtrans-55.5144.417546.80000111.2
79A70.1Confident51.5Low88 Ų88121.1 Ų121.173%0.72787%0.872SS**PPolyproline II helixtrans-52.9140.317200000110.4
80P68.9Low51.9Low114 Ų114123.1 Ų123.174%0.7487%0.87SS**PPolyproline II helixtrans-62.1140.6179.526-33.7000110.1M82P80-M82 PolarHBondContact O-N 3.31Å
81P75.3Confident52.3Low127 Ų127116.8 Ų116.883%0.82586%0.863SS**PPolyproline II helixtrans-62.3128.5173.625.6-32000109.7
82M61.4Low52.8Low190 Ų190119.5 Ų119.594%0.93687%0.869SS**PPolyproline II helixtrans-76.9117.8162.4-93.2-155.9-67.300108.5P80P80-M82 PolarHBondContact O-N 3.31Å
83A56Low53.9Low96 Ų96122.9 Ų122.979%0.79388%0.878SS**  trans156.4127.9153.500000108
84G43.6Very low54.9Low77 Ų77122.8 Ų122.879%0.79488%0.881SS**  cis85.7103.420.500000110.8
85G39.2Very low56.3Low89 Ų89112 Ų11292%0.91888%0.875SS**  trans100115.5156.900000116.1
86G37.7Very low57Low157 Ų157115.4 Ų115.4100%1.61988%0.884SS**  trans138.40173.400000112.1

Retrieved 86 of 86 residues in 194.2 ms (Link to these results)