G4VN34_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VN34, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 50 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
1M39Very low58Low239 Ų239136.4 Ų136.4100%1.17775%0.747SS**  0105.90-172.3175.7-169.300106.5
2E42.6Very low59.5Low160 Ų160141 Ų14175%0.74875%0.747SS**  trans-77.2122.8-175-65.9-176.5172.800110.3K4E2-K4 VanDerWaalsContact OE2-CE 3.22Å; E2-K4 WeakPolarHBondContact OE2-CE 3.34Å; E2-K4 IonicContact OE2-NZ 3.88Å
3T43.6Very low60.9Low132 Ų132141.2 Ų141.281%0.8174%0.742SS**  trans-98.398.7166.3-25.60000107.2I5T3-I5 PolarHBondContact O-N 3.3Å
4K49.1Very low61.7Low158 Ų158138.1 Ų138.169%0.68772%0.721SS**  trans-80.6102.2173.6-67.9-175.2-178.9179.50108.4E2 L6E2-K4 VanDerWaalsContact OE2-CE 3.22Å; E2-K4 WeakPolarHBondContact OE2-CE 3.34Å; E2-K4 IonicContact OE2-NZ 3.88Å; K4-L6 VanDerWaalsContact C-N 3.28Å; K4-L6 PolarHBondContact O-N 2.94Å
5I60.7Low62.3Low162 Ų162133.6 Ų133.683%0.83170%0.698SS**  trans-78.387.8168.3-57175000106.7T3 G7T3-I5 PolarHBondContact O-N 3.3Å; I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.12Å
6L55.8Low63Low162 Ų162131.1 Ų131.185%0.84868%0.682SS**  trans-71.390.4168-90.3150.9000108K4K4-L6 VanDerWaalsContact C-N 3.28Å; K4-L6 PolarHBondContact O-N 2.94Å
7G60.9Low63.7Low63 Ų63128.6 Ų128.665%0.64967%0.67SS**  trans-117100.7165.600000108.5I5I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.12Å
8S69.7Low64.5Low101 Ų101127.7 Ų127.771%0.70666%0.66SS**  trans-70.8128.3160.9-61.60000107L10S8-L10 PolarHBondContact O-N 3.04Å
9L69.4Low65.1Low171 Ų171124.9 Ų124.990%0.89565%0.645SS**  trans-59109.3168.4-175.473.3000106.7T11L9-T11 PolarHBondContact O-N 3.49Å
10L68.8Low65.5Low75 Ų75123.1 Ų123.139%0.39364%0.636SS.*  trans-61.2132175.8-64.4178000107.6S8 Q14 N15 F18S8-L10 PolarHBondContact O-N 3.04Å; L10-Q14 HydrophobicContact CB-CB 3.95Å; L10-Q14 HydrophobicContact CD2-CB 4.07Å; L10-N15 HydrophobicContact CB-CB 4.14Å; L10-F18 HydrophobicContact CD1-CB 4.42Å
11T78.7Confident66Low77 Ų77123.9 Ų123.947%0.47264%0.637SS.*  trans-59.5158.3168.564.40000109.1L9 E13 Q14 N15L9-T11 PolarHBondContact O-N 3.49Å; T11-E13 PolarHBondContact O-N 3.48Å; T11-E13 VanDerWaalsContact O-N 3.15Å; T11-Q14 PolarHBondContact O-N 3.42Å; T11-Q14 VanDerWaalsContact OG1-CG 3.29Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.47Å; T11-Q14 PolarHBondContact OG1-N 3.43Å; T11-Q14 PolarHBondContact OG1-OE1 3.49Å; T11-N15 PolarHBondContact O-N 2.9Å
12Y75.7Confident67.5Low192 Ų192118 Ų11875%0.75361%0.606SS**Hα-helixtrans-49.3-43.8178.5175.7-96.4000112.2N15 H16Y12-N15 PolarHBondContact O-N 2.95Å; Y12-H16 WeakPolarHBondContact O-CB 3.48Å; Y12-H16 PolarHBondContact O-N 2.94Å
13E77Confident68.7Low144 Ų144115 Ų11567%0.67360%0.601SS**Hα-helixtrans-65.5-42.1177.3-65.6179.4177.500113.2T11 N15 H16 N17T11-E13 PolarHBondContact O-N 3.48Å; T11-E13 VanDerWaalsContact O-N 3.15Å; E13-N15 VanDerWaalsContact C-N 3.35Å; E13-H16 PolarHBondContact O-N 3.36Å; E13-N17 WeakPolarHBondContact O-CB 3.25Å; E13-N17 PolarHBondContact O-N 3.13Å
14Q72.5Confident70.3Confident97 Ų97113.4 Ų113.445%0.45359%0.586SS.*Hα-helixtrans-65.4-40.5176.6-73.1174.6-38.800111.6L10 T11 N17 F18L10-Q14 HydrophobicContact CB-CB 3.95Å; L10-Q14 HydrophobicContact CD2-CB 4.07Å; T11-Q14 PolarHBondContact O-N 3.42Å; T11-Q14 VanDerWaalsContact OG1-CG 3.29Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.47Å; T11-Q14 PolarHBondContact OG1-N 3.43Å; T11-Q14 PolarHBondContact OG1-OE1 3.49Å; Q14-N17 PolarHBondContact O-N 2.93Å; Q14-F18 WeakPolarHBondContact O-CB 3.45Å; Q14-F18 PolarHBondContact O-N 3.5Å
15N71.4Confident71.7Confident71 Ų71109.3 Ų109.338%0.3858%0.575SS.*Hα-helixtrans-65.4-43.1176.4-168.842.2000110.7L10 T11 Y12 E13 N17 F18 I19L10-N15 HydrophobicContact CB-CB 4.14Å; T11-N15 PolarHBondContact O-N 2.9Å; Y12-N15 PolarHBondContact O-N 2.95Å; E13-N15 VanDerWaalsContact C-N 3.35Å; N15-N17 PolarHBondContact O-N 3.47Å; N15-F18 PolarHBondContact O-N 2.99Å; N15-I19 WeakPolarHBondContact O-CB 3.4Å; N15-I19 VanDerWaalsContact O-CG1 3.25Å; N15-I19 WeakPolarHBondContact O-CG1 3.24Å; N15-I19 PolarHBondContact O-N 3.19Å
16H73.4Confident72.4Confident94 Ų94107.6 Ų107.644%0.43556%0.563SS.*Hα-helixtrans-60.2-46175.4-175.3-106.3000111.5Y12 E13 F18 I19 N20Y12-H16 WeakPolarHBondContact O-CB 3.48Å; Y12-H16 PolarHBondContact O-N 2.94Å; E13-H16 PolarHBondContact O-N 3.36Å; H16-F18 PolarHBondContact O-N 3.39Å; H16-I19 PolarHBondContact O-N 3.17Å; H16-N20 PolarHBondContact CE1-ND2 3.42Å; H16-N20 PolarHBondContact ND1-ND2 2.9Å; H16-N20 VanDerWaalsContact ND1-ND2 3.12Å; H16-N20 PolarHBondContact NE2-ND2 3.37Å; H16-N20 WeakPolarHBondContact O-CB 3.34Å; H16-N20 PolarHBondContact O-N 3.22Å; H16-N20 PolarHBondContact O-ND2 3.15Å
17N74.7Confident73.5Confident89 Ų89106.6 Ų106.648%0.47655%0.554SS.*Hα-helixtrans-64.7-40.2176.7-72.9-18.4000112.4E13 Q14 N15 N20 H21E13-N17 WeakPolarHBondContact O-CB 3.25Å; E13-N17 PolarHBondContact O-N 3.13Å; Q14-N17 PolarHBondContact O-N 2.93Å; N15-N17 PolarHBondContact O-N 3.47Å; N17-N20 PolarHBondContact O-N 3.39Å; N17-H21 WeakPolarHBondContact O-CB 3.44Å; N17-H21 PolarHBondContact O-N 2.91Å
18F78.4Confident74.2Confident112 Ų112108.3 Ų108.349%0.49155%0.545SS..Hα-helixtrans-61.9-48.8176.2-179.1-95.9000111.5L10 Q14 N15 H16 N20 H21 H22L10-F18 HydrophobicContact CD1-CB 4.42Å; Q14-F18 WeakPolarHBondContact O-CB 3.45Å; Q14-F18 PolarHBondContact O-N 3.5Å; N15-F18 PolarHBondContact O-N 2.99Å; H16-F18 PolarHBondContact O-N 3.39Å; F18-N20 VanDerWaalsContact C-N 3.28Å; F18-N20 PolarHBondContact O-N 3.19Å; F18-H21 PolarHBondContact O-N 3.3Å; F18-H22 AromaticContact CD2-CD2 3.66Å; F18-H22 HydrophobicContact CE1-CB 4.46Å; F18-H22 AromaticContact CE2-CD2 3.44Å; F18-H22 VanDerWaalsContact CE2-CD2 3.44Å; F18-H22 WeakPolarHBondContact CE2-CD2 3.33Å; F18-H22 AromaticContact CE2-NE2 4Å; F18-H22 HydrophobicContact CZ-CB 4.42Å; F18-H22 AromaticContact CZ-CD2 3.9Å; F18-H22 WeakPolarHBondContact O-CB 3.48Å; F18-H22 PolarHBondContact O-N 3.03Å
19I75.6Confident74.6Confident75 Ų75107.4 Ų107.439%0.38553%0.532SS..Hα-helixtrans-62.9-37.3178.6-66.6166.1000110.9N15 H16 H21 H22 P23N15-I19 WeakPolarHBondContact O-CB 3.4Å; N15-I19 VanDerWaalsContact O-CG1 3.25Å; N15-I19 WeakPolarHBondContact O-CG1 3.24Å; N15-I19 PolarHBondContact O-N 3.19Å; H16-I19 PolarHBondContact O-N 3.17Å; I19-H21 VanDerWaalsContact C-N 3.34Å; I19-H21 PolarHBondContact O-N 3.02Å; I19-H22 CarbonylContact O-C 3.18Å; I19-H22 PolarHBondContact O-N 2.86Å; I19-P23 WeakPolarHBondContact O-CA 3.34Å
20N73.1Confident75Confident87 Ų87103 Ų10347%0.46551%0.509SS..Hα-helixtrans-72.6-26.1178.4-69.6-26.1000113.4H16 N17 F18H16-N20 PolarHBondContact CE1-ND2 3.42Å; H16-N20 PolarHBondContact ND1-ND2 2.9Å; H16-N20 VanDerWaalsContact ND1-ND2 3.12Å; H16-N20 PolarHBondContact NE2-ND2 3.37Å; H16-N20 WeakPolarHBondContact O-CB 3.34Å; H16-N20 PolarHBondContact O-N 3.22Å; H16-N20 PolarHBondContact O-ND2 3.15Å; N17-N20 PolarHBondContact O-N 3.39Å; F18-N20 VanDerWaalsContact C-N 3.28Å; F18-N20 PolarHBondContact O-N 3.19Å
21H75.4Confident75.5Confident141 Ų141103.4 Ų103.465%0.65351%0.512SS*.Hα-helixtrans-91.5-20.6175.9-66.8-4.5000112.7N17 F18 I19 P23N17-H21 WeakPolarHBondContact O-CB 3.44Å; N17-H21 PolarHBondContact O-N 2.91Å; F18-H21 PolarHBondContact O-N 3.3Å; I19-H21 VanDerWaalsContact C-N 3.34Å; I19-H21 PolarHBondContact O-N 3.02Å; H21-P23 VanDerWaalsContact C-CD 3.5Å
22H71.2Confident75.3Confident114 Ų114103.5 Ų103.553%0.52852%0.516SS..SBendtrans-125.671.3175-61.3-72.7000109.8F18 I19 I24F18-H22 AromaticContact CD2-CD2 3.66Å; F18-H22 HydrophobicContact CE1-CB 4.46Å; F18-H22 AromaticContact CE2-CD2 3.44Å; F18-H22 VanDerWaalsContact CE2-CD2 3.44Å; F18-H22 WeakPolarHBondContact CE2-CD2 3.33Å; F18-H22 AromaticContact CE2-NE2 4Å; F18-H22 HydrophobicContact CZ-CB 4.42Å; F18-H22 AromaticContact CZ-CD2 3.9Å; F18-H22 WeakPolarHBondContact O-CB 3.48Å; F18-H22 PolarHBondContact O-N 3.03Å; I19-H22 CarbonylContact O-C 3.18Å; I19-H22 PolarHBondContact O-N 2.86Å; H22-I24 PolarHBondContact O-N 2.88Å
23P67.2Low75.4Confident97 Ų9798.9 Ų98.963%0.6350%0.501SS*.PPolyproline II helixtrans-60.8123.6178.125.1-33.1000109.4I19 H21 T25I19-P23 WeakPolarHBondContact O-CA 3.34Å; H21-P23 VanDerWaalsContact C-CD 3.5Å; P23-T25 PolarHBondContact O-N 2.62Å
24I76.5Confident75.4Confident100 Ų10099.4 Ų99.451%0.51350%0.498SS..PPolyproline II helixtrans-68.2127.5174.9-56.6172.6000107.6H22 E28 L29H22-I24 PolarHBondContact O-N 2.88Å; I24-E28 HydrophobicContact CG2-CB 3.69Å; I24-L29 HydrophobicContact CG2-CD2 4.11Å; I24-L29 HydrophobicContact CG2-CG 3.82Å
25T78.9Confident75.2Confident71 Ų7199.8 Ų99.844%0.43650%0.503SS..PPolyproline II helixtrans-71.5151.1178.964.50000110.8P23 Q27 E28 L29P23-T25 PolarHBondContact O-N 2.62Å; T25-Q27 PolarHBondContact O-N 3.37Å; T25-Q27 VanDerWaalsContact O-N 3.13Å; T25-E28 PolarHBondContact N-OE2 3.12Å; T25-E28 PolarHBondContact O-N 3.49Å; T25-E28 VanDerWaalsContact OG1-CD 3.27Å; T25-E28 VanDerWaalsContact OG1-CG 3.24Å; T25-E28 WeakPolarHBondContact OG1-CG 3.5Å; T25-E28 PolarHBondContact OG1-N 3.18Å; T25-E28 PolarHBondContact OG1-OE2 2.92Å; T25-L29 PolarHBondContact O-N 2.94Å
26Q76.5Confident75.2Confident127 Ų12799.4 Ų99.459%0.59351%0.505SS*.Hα-helixtrans-56.6-31.8175.5-173.361.940.300111.9L29 N30Q26-L29 PolarHBondContact O-N 2.82Å; Q26-N30 PolarHBondContact NE2-OD1 3.44Å; Q26-N30 WeakPolarHBondContact O-CB 3.29Å; Q26-N30 PolarHBondContact O-N 2.92Å; Q26-N30 PolarHBondContact O-ND2 3.26Å; Q26-N30 PolarHBondContact O-OD1 3.43Å
27Q78.1Confident75.1Confident140 Ų140101.9 Ų101.965%0.65451%0.511SS*.Hα-helixtrans-65.7-43.1175.7-174.2172.5-1.700112.3T25 N30 N31T25-Q27 PolarHBondContact O-N 3.37Å; T25-Q27 VanDerWaalsContact O-N 3.13Å; Q27-N30 PolarHBondContact O-N 3.34Å; Q27-N31 PolarHBondContact O-N 3.41Å; Q27-N31 PolarHBondContact O-ND2 3.29Å; Q27-N31 PolarHBondContact O-OD1 2.93Å
28E76.7Confident74.7Confident100 Ų100100.2 Ų100.247%0.46750%0.504SS..Hα-helixtrans-66.2-38.3175.5-72.4163.8144.100112.2I24 T25 N31 S32I24-E28 HydrophobicContact CG2-CB 3.69Å; T25-E28 PolarHBondContact N-OE2 3.12Å; T25-E28 PolarHBondContact O-N 3.49Å; T25-E28 VanDerWaalsContact OG1-CD 3.27Å; T25-E28 VanDerWaalsContact OG1-CG 3.24Å; T25-E28 WeakPolarHBondContact OG1-CG 3.5Å; T25-E28 PolarHBondContact OG1-N 3.18Å; T25-E28 PolarHBondContact OG1-OE2 2.92Å; E28-N31 WeakPolarHBondContact O-CB 3.44Å; E28-N31 PolarHBondContact O-N 2.84Å; E28-S32 PolarHBondContact O-N 3Å
29L76.9Confident74.1Confident81 Ų8197.8 Ų97.842%0.42450%0.504SS..Hα-helixtrans-60.3-47.5172.1-74.3169.5000111.3I24 T25 Q26 N31 S32 E33I24-L29 HydrophobicContact CG2-CD2 4.11Å; I24-L29 HydrophobicContact CG2-CG 3.82Å; T25-L29 PolarHBondContact O-N 2.94Å; Q26-L29 PolarHBondContact O-N 2.82Å; L29-N31 VanDerWaalsContact C-N 3.28Å; L29-N31 PolarHBondContact O-N 2.87Å; L29-S32 PolarHBondContact O-N 3.35Å; L29-E33 PolarHBondContact O-N 3.36Å
30N78.2Confident73.4Confident78 Ų78102.1 Ų102.142%0.41752%0.517SS..Hα-helixtrans-60.8-38.7177.2-64.7-14.8000111.4Q26 Q27 E33 Y34Q26-N30 PolarHBondContact NE2-OD1 3.44Å; Q26-N30 WeakPolarHBondContact O-CB 3.29Å; Q26-N30 PolarHBondContact O-N 2.92Å; Q26-N30 PolarHBondContact O-ND2 3.26Å; Q26-N30 PolarHBondContact O-OD1 3.43Å; Q27-N30 PolarHBondContact O-N 3.34Å; N30-E33 PolarHBondContact O-N 2.94Å; N30-Y34 WeakPolarHBondContact O-CB 3.29Å; N30-Y34 PolarHBondContact O-N 3.41Å
31N78.9Confident72.6Confident85 Ų85105.4 Ų105.446%0.45553%0.529SS..Hα-helixtrans-65.4-42.5176-69.4-16.9000111.7Q27 E28 L29 Y34 N35Q27-N31 PolarHBondContact O-N 3.41Å; Q27-N31 PolarHBondContact O-ND2 3.29Å; Q27-N31 PolarHBondContact O-OD1 2.93Å; E28-N31 WeakPolarHBondContact O-CB 3.44Å; E28-N31 PolarHBondContact O-N 2.84Å; L29-N31 VanDerWaalsContact C-N 3.28Å; L29-N31 PolarHBondContact O-N 2.87Å; N31-Y34 PolarHBondContact O-N 2.92Å; N31-N35 WeakPolarHBondContact O-CB 3.27Å; N31-N35 PolarHBondContact O-N 3.34Å; N31-N35 PolarHBondContact O-ND2 2.91Å
32S75.2Confident71.8Confident79 Ų79104 Ų10455%0.55253%0.53SS*.Hα-helixtrans-63.1-44.2176.9-171.70000111.5E28 L29 N35 C36E28-S32 PolarHBondContact O-N 3Å; L29-S32 PolarHBondContact O-N 3.35Å; S32-N35 PolarHBondContact O-N 3.35Å; S32-C36 VanDerWaalsContact O-CB 3.27Å; S32-C36 WeakPolarHBondContact O-CB 3.38Å; S32-C36 PolarHBondContact O-N 3.48Å
33E78.4Confident71.2Confident95 Ų95103.2 Ų103.244%0.44453%0.534SS..Hα-helixtrans-63.3-45.5176.1-175.4176.7-179.100112L29 N30 N35 C36 R37L29-E33 PolarHBondContact O-N 3.36Å; N30-E33 PolarHBondContact O-N 2.94Å; E33-N35 PolarHBondContact O-N 3.19Å; E33-C36 PolarHBondContact O-N 3.39Å; E33-R37 WeakPolarHBondContact O-CB 3.33Å; E33-R37 VanDerWaalsContact O-CG 3.29Å; E33-R37 WeakPolarHBondContact O-CG 2.99Å; E33-R37 PolarHBondContact O-N 3.38Å; E33-R37 IonicContact OE1-CZ 3.19Å; E33-R37 IonicContact OE1-NE 3.12Å; E33-R37 PolarHBondContact OE1-NE 3.49Å; E33-R37 VanDerWaalsContact OE1-NE 3.12Å; E33-R37 IonicContact OE1-NH2 2.62Å; E33-R37 PolarHBondContact OE1-NH2 3.2Å
34Y76.5Confident70.8Confident154 Ų154101.6 Ų101.660%0.60454%0.535SS*.Hα-helixtrans-60.3-44.5176.2178.7-93.8000112N30 N31 R37 T38N30-Y34 WeakPolarHBondContact O-CB 3.29Å; N30-Y34 PolarHBondContact O-N 3.41Å; N31-Y34 PolarHBondContact O-N 2.92Å; Y34-R37 PolarHBondContact O-N 3.25Å; Y34-T38 WeakPolarHBondContact O-CB 3.48Å; Y34-T38 PolarHBondContact O-N 3.07Å; Y34-T38 PolarHBondContact O-OG1 2.94Å
35N67.8Low70.3Confident105 Ų105104.5 Ų104.556%0.56154%0.544SS*.Hα-helixtrans-64-42.8178-74-20.6000111.5N31 S32 E33 T38 A39N31-N35 WeakPolarHBondContact O-CB 3.27Å; N31-N35 PolarHBondContact O-N 3.34Å; N31-N35 PolarHBondContact O-ND2 2.91Å; S32-N35 PolarHBondContact O-N 3.35Å; E33-N35 PolarHBondContact O-N 3.19Å; N35-T38 PolarHBondContact O-N 3.47Å; N35-A39 WeakPolarHBondContact O-CB 3.41Å; N35-A39 PolarHBondContact O-N 3.14Å
36C71.4Confident69.6Low63 Ų63107 Ų10743%0.42656%0.559SS.*Hα-helixtrans-60.4-49176.5-1690000110.9S32 E33 T38 A39 Y40S32-C36 VanDerWaalsContact O-CB 3.27Å; S32-C36 WeakPolarHBondContact O-CB 3.38Å; S32-C36 PolarHBondContact O-N 3.48Å; E33-C36 PolarHBondContact O-N 3.39Å; C36-T38 PolarHBondContact O-N 2.8Å; C36-A39 PolarHBondContact O-N 2.89Å; C36-Y40 WeakPolarHBondContact O-CD2 3.22Å; C36-Y40 PolarHBondContact O-N 3.35Å; C36-Y40 VanDerWaalsContact SG-CE2 3.54Å
37R71.4Confident69Low147 Ų147105.9 Ų105.956%0.55556%0.561SS**Hα-helixtrans-59.8-46.7175.8-70.5171.6178.3-142.32.3112.1E33 Y34 A39 Y40 H41E33-R37 WeakPolarHBondContact O-CB 3.33Å; E33-R37 VanDerWaalsContact O-CG 3.29Å; E33-R37 WeakPolarHBondContact O-CG 2.99Å; E33-R37 PolarHBondContact O-N 3.38Å; E33-R37 IonicContact OE1-CZ 3.19Å; E33-R37 IonicContact OE1-NE 3.12Å; E33-R37 PolarHBondContact OE1-NE 3.49Å; E33-R37 VanDerWaalsContact OE1-NE 3.12Å; E33-R37 IonicContact OE1-NH2 2.62Å; E33-R37 PolarHBondContact OE1-NH2 3.2Å; Y34-R37 PolarHBondContact O-N 3.25Å; R37-A39 VanDerWaalsContact C-N 3.31Å; R37-A39 PolarHBondContact O-N 2.91Å; R37-Y40 PolarHBondContact O-N 3.37Å; R37-Y40 VanDerWaalsContact O-N 3.14Å; R37-H41 PolarHBondContact O-CD2 3.42Å; R37-H41 PolarHBondContact O-N 3.18Å; R37-H41 VanDerWaalsContact O-N 3.07Å
38T65.8Low68.7Low53 Ų53107.6 Ų107.633%0.32557%0.566SS.*Hα-helixtrans-61.7-39.5-179.5-56.90000111.6Y34 N35 C36 Y40 H41 V42Y34-T38 WeakPolarHBondContact O-CB 3.48Å; Y34-T38 PolarHBondContact O-N 3.07Å; Y34-T38 PolarHBondContact O-OG1 2.94Å; N35-T38 PolarHBondContact O-N 3.47Å; C36-T38 PolarHBondContact O-N 2.8Å; T38-Y40 VanDerWaalsContact C-N 3.3Å; T38-Y40 PolarHBondContact O-N 3.39Å; T38-H41 PolarHBondContact O-N 2.97Å; T38-V42 WeakPolarHBondContact O-CG2 3.48Å; T38-V42 PolarHBondContact O-N 3.05Å
39A66.3Low68Low61 Ų61110.5 Ų110.550%0.50458%0.583SS.*Hα-helixtrans-59.3-38.8175.500000112.5N35 C36 R37N35-A39 WeakPolarHBondContact O-CB 3.41Å; N35-A39 PolarHBondContact O-N 3.14Å; C36-A39 PolarHBondContact O-N 2.89Å; R37-A39 VanDerWaalsContact C-N 3.31Å; R37-A39 PolarHBondContact O-N 2.91Å
40Y60.2Low67.1Low167 Ų167121.3 Ų121.366%0.65562%0.619SS**Hα-helixtrans-73.4-32.6175.5-65.8-67.8000113.6C36 R37 T38 V42 T43C36-Y40 WeakPolarHBondContact O-CD2 3.22Å; C36-Y40 PolarHBondContact O-N 3.35Å; C36-Y40 VanDerWaalsContact SG-CE2 3.54Å; R37-Y40 PolarHBondContact O-N 3.37Å; R37-Y40 VanDerWaalsContact O-N 3.14Å; T38-Y40 VanDerWaalsContact C-N 3.3Å; T38-Y40 PolarHBondContact O-N 3.39Å; Y40-V42 VanDerWaalsContact C-N 3.34Å; Y40-T43 PolarHBondContact O-N 3.34Å; Y40-T43 PolarHBondContact O-OG1 3.48Å
41H57.5Low66.5Low156 Ų156123.5 Ų123.572%0.72263%0.629SS**Hα-helixtrans-68.6-33.6178.6-82.6-73.8000112.7R37 T38 T43R37-H41 PolarHBondContact O-CD2 3.42Å; R37-H41 PolarHBondContact O-N 3.18Å; R37-H41 VanDerWaalsContact O-N 3.07Å; T38-H41 PolarHBondContact O-N 2.97Å; H41-T43 VanDerWaalsContact C-N 3.33Å; H41-T43 PolarHBondContact O-N 3.09Å
42V57.5Low65.8Low111 Ų111125.5 Ų125.567%0.67364%0.638SS**Hα-helixtrans-73.2-24.2-179.8178.20000112.3T38 Y40 G44T38-V42 WeakPolarHBondContact O-CG2 3.48Å; T38-V42 PolarHBondContact O-N 3.05Å; Y40-V42 VanDerWaalsContact C-N 3.34Å; V42-G44 VanDerWaalsContact C-N 3.3Å; V42-G44 PolarHBondContact O-N 3.03Å
43T58.8Low65.3Low98 Ų98128.1 Ų128.160%0.60164%0.643SS**THydrogen-bonded Turntrans-79.2-9.318054.90000114.2Y40 H41 F45Y40-T43 PolarHBondContact O-N 3.34Å; Y40-T43 PolarHBondContact O-OG1 3.48Å; H41-T43 VanDerWaalsContact C-N 3.33Å; H41-T43 PolarHBondContact O-N 3.09Å; T43-F45 VanDerWaalsContact C-N 3.28Å; T43-F45 PolarHBondContact O-N 3.35Å; T43-F45 VanDerWaalsContact O-N 3.09Å
44G60.5Low64.6Low63 Ų63130.1 Ų130.165%0.64966%0.655SS**  trans-81.858.5172.900000113.4V42V42-G44 VanDerWaalsContact C-N 3.3Å; V42-G44 PolarHBondContact O-N 3.03Å
45F64.9Low63.8Low161 Ų161128.6 Ų128.671%0.70666%0.658SS**  trans-84.7123.5169.855.6-89.7000110.5T43 V47T43-F45 VanDerWaalsContact C-N 3.28Å; T43-F45 PolarHBondContact O-N 3.35Å; T43-F45 VanDerWaalsContact O-N 3.09Å; F45-V47 HydrophobicContact CD2-CG2 4.23Å; F45-V47 HydrophobicContact CE2-CG2 4.23Å; F45-V47 PolarHBondContact O-N 3.1Å
46V64.7Low63.6Low124 Ų124130.1 Ų130.175%0.75266%0.664SS**  trans-75.3108.4177.1179.60000108.7K48V46-K48 HydrophobicContact CG1-CG 4.41Å; V46-K48 PolarHBondContact O-N 3.24Å; V46-K48 VanDerWaalsContact O-N 3.1Å
47V63.6Low63Low103 Ų103134.9 Ų134.962%0.62468%0.681SS**  trans-68.7105.7166.7-179.40000107.8F45 L49F45-V47 HydrophobicContact CD2-CG2 4.23Å; F45-V47 HydrophobicContact CE2-CG2 4.23Å; F45-V47 PolarHBondContact O-N 3.1Å; V47-L49 HydrophobicContact CG1-CD2 4.28Å; V47-L49 PolarHBondContact O-N 3.31Å
48K71.9Confident62.3Low175 Ų175134 Ų13476%0.76169%0.691SS**  trans-78.9107.3169-68.6-175.5-179176.50108V46 R50V46-K48 HydrophobicContact CG1-CG 4.41Å; V46-K48 PolarHBondContact O-N 3.24Å; V46-K48 VanDerWaalsContact O-N 3.1Å; K48-R50 PolarHBondContact O-N 3.37Å
49L61.7Low62.1Low161 Ų161140.8 Ų140.884%0.84372%0.721SS**  trans-70.1118.3166.3-61.6173.3000108V47V47-L49 HydrophobicContact CG1-CD2 4.28Å; V47-L49 PolarHBondContact O-N 3.31Å
50R57.2Low61.7Low309 Ų309148 Ų148100%1.16674%0.741SS**  trans-133.40158.1-84.5-169-178.1137.9-2.2108.2K48K48-R50 PolarHBondContact O-N 3.37Å

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