G4M032_SCHMA Loading...

Smp_204880

AlphaFold DB , UniProt , Accession G4M032, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 78 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
1M66.6Low86.7Confident222 Ų222122.9 Ų122.9100%1.09464%0.639SS**  0-42.30-61-169111.400113.1K3 L4M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.31Å; M1-L4 PolarHBondContact O-N 3.03Å; M1-L4 VanDerWaalsContact O-N 3.07Å
2I81.9Confident86.7Confident144 Ų144122.1 Ų122.174%0.73864%0.635SS**Hα-helixtrans-52.7-40.6-179.3-62.8164.4000114L4 A5 L6I2-L4 PolarHBondContact O-N 3.24Å; I2-A5 PolarHBondContact O-N 3.07Å; I2-L6 PolarHBondContact O-N 3.01Å; I2-L6 VanDerWaalsContact O-N 3.12Å
3K86.9Confident86.5Confident189 Ų189123.2 Ų123.282%0.82263%0.627SS**Hα-helixtrans-55.9-35178.9-72.5-174.9176.3-178.70113.4M1 H7M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.31Å; K3-H7 PolarHBondContact O-N 3.12Å
4L87.3Confident86.1Confident128 Ų128121.1 Ų121.167%0.6762%0.617SS**Hα-helixtrans-75.3-40.8-176.7-152.1153.1000110.9M1 I2 L6 H7 L8M1-L4 PolarHBondContact O-N 3.03Å; M1-L4 VanDerWaalsContact O-N 3.07Å; I2-L4 PolarHBondContact O-N 3.24Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.31Å; L4-H7 PolarHBondContact O-N 3.46Å; L4-L8 PolarHBondContact O-N 3.06Å
5A88.8Confident85.5Confident62 Ų62121.3 Ų121.351%0.51262%0.619SS.*Hα-helixtrans-61.8-40.7174.400000112.1I2 L8 L9I2-A5 PolarHBondContact O-N 3.07Å; A5-L8 PolarHBondContact O-N 3.18Å; A5-L9 PolarHBondContact O-N 3.21Å
6L92.4Very high84.8Confident105 Ų105117.5 Ų117.555%0.5561%0.607SS.*Hα-helixtrans-65.1-41.5178.1-152.5161000111.2I2 L4 L8 L9 I10I2-L6 PolarHBondContact O-N 3.01Å; I2-L6 VanDerWaalsContact O-N 3.12Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.31Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-L8 PolarHBondContact O-N 3.41Å; L6-L9 PolarHBondContact O-N 2.61Å; L6-I10 HydrophobicContact CD2-CD1 3.46Å; L6-I10 VanDerWaalsContact CD2-CD1 3.46Å; L6-I10 HydrophobicContact CD2-CG1 4.15Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.34Å; L6-I10 VanDerWaalsContact O-N 3.12Å
7H90.1Very high83.6Confident140 Ų140116.4 Ų116.465%0.64860%0.598SS**Hα-helixtrans-62.4-40.3175.6-127.2-40000112.8K3 L4 I10 S11K3-H7 PolarHBondContact O-N 3.12Å; L4-H7 PolarHBondContact O-N 3.46Å; H7-I10 PolarHBondContact O-N 3.46Å; H7-S11 PolarHBondContact O-N 3Å; H7-S11 VanDerWaalsContact O-N 3.09Å
8L90.5Very high82.4Confident96 Ų96114.6 Ų114.650%0.50359%0.593SS.*Hα-helixtrans-63.9-43.6177.3-123.4167.1000111.3L4 A5 L6 I10 S11 L12L4-L8 PolarHBondContact O-N 3.06Å; A5-L8 PolarHBondContact O-N 3.18Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-L8 PolarHBondContact O-N 3.41Å; L8-I10 PolarHBondContact O-N 3.45Å; L8-S11 PolarHBondContact O-N 3.17Å; L8-S11 PolarHBondContact O-OG 3.12Å; L8-L12 HydrophobicContact CD2-CD1 4.31Å; L8-L12 PolarHBondContact O-N 3.12Å
9L91.4Very high81.1Confident125 Ų125112.5 Ų112.565%0.65459%0.589SS**Hα-helixtrans-63.5-40.9179.3-158.7150.1000111.9A5 L6 L12 Y13A5-L9 PolarHBondContact O-N 3.21Å; L6-L9 PolarHBondContact O-N 2.61Å; L9-L12 PolarHBondContact O-N 2.69Å; L9-Y13 WeakPolarHBondContact O-CB 3.42Å; L9-Y13 PolarHBondContact O-N 3.21Å
10I89.5Confident79.7Confident80 Ų80111 Ų11141%0.4159%0.588SS.*Hα-helixtrans-63.5-42.7174.3-66.2165.1000111.2L6 H7 L8 L12 Y13 I14L6-I10 HydrophobicContact CD2-CD1 3.46Å; L6-I10 VanDerWaalsContact CD2-CD1 3.46Å; L6-I10 HydrophobicContact CD2-CG1 4.15Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.34Å; L6-I10 VanDerWaalsContact O-N 3.12Å; H7-I10 PolarHBondContact O-N 3.46Å; L8-I10 PolarHBondContact O-N 3.45Å; I10-L12 VanDerWaalsContact C-N 3.35Å; I10-L12 PolarHBondContact O-N 3.2Å; I10-Y13 PolarHBondContact O-N 3.23Å; I10-I14 HydrophobicContact CG2-CD1 3.85Å; I10-I14 HydrophobicContact CG2-CG1 4.5Å; I10-I14 WeakPolarHBondContact O-CG1 3.49Å; I10-I14 PolarHBondContact O-N 3.01Å
11S87.6Confident78.6Confident61 Ų61111.7 Ų111.743%0.42759%0.592SS.*Hα-helixtrans-64.3-38.4178.866.20000113H7 L8 L15H7-S11 PolarHBondContact O-N 3Å; H7-S11 VanDerWaalsContact O-N 3.09Å; L8-S11 PolarHBondContact O-N 3.17Å; L8-S11 PolarHBondContact O-OG 3.12Å; S11-L15 WeakPolarHBondContact O-CB 3.33Å; S11-L15 PolarHBondContact O-N 3.44Å; S11-L15 VanDerWaalsContact O-N 3.08Å
12L86.6Confident78.1Confident113 Ų113105.5 Ų105.559%0.59256%0.56SS**Hα-helixtrans-65.6-42.1175.2-106.8151.8000111.8L8 L9 I10 L15 S16L8-L12 HydrophobicContact CD2-CD1 4.31Å; L8-L12 PolarHBondContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 2.69Å; I10-L12 VanDerWaalsContact C-N 3.35Å; I10-L12 PolarHBondContact O-N 3.2Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-S16 PolarHBondContact O-N 3.3Å
13Y84.3Confident76.7Confident136 Ų136105.4 Ų105.453%0.53356%0.561SS.*Hα-helixtrans-58.8-50.2176.1-178.9-92.9000111.4L9 I10 L15 S16 E17L9-Y13 WeakPolarHBondContact O-CB 3.42Å; L9-Y13 PolarHBondContact O-N 3.21Å; I10-Y13 PolarHBondContact O-N 3.23Å; Y13-L15 VanDerWaalsContact C-N 3.29Å; Y13-L15 PolarHBondContact O-N 2.71Å; Y13-S16 PolarHBondContact O-N 3.07Å; Y13-S16 VanDerWaalsContact O-N 3.15Å; Y13-S16 PolarHBondContact O-OG 3.09Å; Y13-E17 VanDerWaalsContact CE1-CD 3.49Å; Y13-E17 HydrophobicContact CE1-CG 4.18Å; Y13-E17 WeakPolarHBondContact CE1-OE1 3.39Å; Y13-E17 PolarHBondContact O-N 3.47Å; Y13-E17 PolarHBondContact OH-OE1 3.15Å
14I80.8Confident74.8Confident95 Ų95102.7 Ų102.749%0.48756%0.556SS.*Hα-helixtrans-60.2-39.9178.4-65.4166.2000111.3I10 S16 V18I10-I14 HydrophobicContact CG2-CD1 3.85Å; I10-I14 HydrophobicContact CG2-CG1 4.5Å; I10-I14 WeakPolarHBondContact O-CG1 3.49Å; I10-I14 PolarHBondContact O-N 3.01Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-V18 WeakPolarHBondContact O-CG2 3.16Å; I14-V18 PolarHBondContact O-N 3.33Å
15L77.8Confident73Confident124 Ų124101.2 Ų101.265%0.64955%0.549SS*.Hα-helixtrans-67.2-36179.3-166.968.4000112.1S11 L12 Y13 S19S11-L15 WeakPolarHBondContact O-CB 3.33Å; S11-L15 PolarHBondContact O-N 3.44Å; S11-L15 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.45Å; Y13-L15 VanDerWaalsContact C-N 3.29Å; Y13-L15 PolarHBondContact O-N 2.71Å; L15-S19 PolarHBondContact O-N 3.31Å; L15-S19 VanDerWaalsContact O-N 3.14Å
16S73.3Confident71Confident60 Ų60103.6 Ų103.642%0.4256%0.559SS.*Hα-helixtrans-67.4-41.417970.60000112.9L12 Y13 I14 V18 S19 C20L12-S16 PolarHBondContact O-N 3.3Å; Y13-S16 PolarHBondContact O-N 3.07Å; Y13-S16 VanDerWaalsContact O-N 3.15Å; Y13-S16 PolarHBondContact O-OG 3.09Å; I14-S16 VanDerWaalsContact C-N 3.34Å; S16-V18 VanDerWaalsContact C-N 3.34Å; S16-V18 PolarHBondContact O-N 3.33Å; S16-S19 PolarHBondContact O-N 3.46Å; S16-C20 PolarHBondContact O-N 3.08Å; S16-C20 VanDerWaalsContact O-N 3.12Å; S16-C20 PolarHBondContact O-SG 3.38Å
17E66Low69.1Low98 Ų98106.1 Ų106.146%0.45857%0.572SS.*Hα-helixtrans-62.4-42176.7-70.8-172.6158.400111.5Y13 S19 C20 D21Y13-E17 VanDerWaalsContact CE1-CD 3.49Å; Y13-E17 HydrophobicContact CE1-CG 4.18Å; Y13-E17 WeakPolarHBondContact CE1-OE1 3.39Å; Y13-E17 PolarHBondContact O-N 3.47Å; Y13-E17 PolarHBondContact OH-OE1 3.15Å; E17-S19 VanDerWaalsContact C-N 3.28Å; E17-S19 PolarHBondContact O-N 3.47Å; E17-C20 PolarHBondContact O-N 3.14Å; E17-D21 PolarHBondContact O-N 3.34Å
18V61.5Low67.2Low85 Ų85106.9 Ų106.952%0.51558%0.576SS.*Hα-helixtrans-65-33.1177.5176.60000111.9I14 S16I14-V18 WeakPolarHBondContact O-CG2 3.16Å; I14-V18 PolarHBondContact O-N 3.33Å; S16-V18 VanDerWaalsContact C-N 3.34Å; S16-V18 PolarHBondContact O-N 3.33Å
19S56.5Low65.2Low74 Ų74107 Ų10752%0.51758%0.583SS.*Hα-helixtrans-71-38177.4-164.80000112.4L15 S16 E17 D21 E22L15-S19 PolarHBondContact O-N 3.31Å; L15-S19 VanDerWaalsContact O-N 3.14Å; S16-S19 PolarHBondContact O-N 3.46Å; E17-S19 VanDerWaalsContact C-N 3.28Å; E17-S19 PolarHBondContact O-N 3.47Å; S19-D21 VanDerWaalsContact C-N 3.32Å; S19-D21 PolarHBondContact O-N 3.42Å; S19-E22 PolarHBondContact O-N 3.38Å
20C53.9Low63.5Low83 Ų83111.3 Ų111.356%0.56159%0.59SS**Hα-helixtrans-67.4-31.3179.4-69.40000112.9S16 E17S16-C20 PolarHBondContact O-N 3.08Å; S16-C20 VanDerWaalsContact O-N 3.12Å; S16-C20 PolarHBondContact O-SG 3.38Å; E17-C20 PolarHBondContact O-N 3.14Å
21D56.8Low61.7Low125 Ų125113.6 Ų113.667%0.66860%0.603SS**Hα-helixtrans-75.2-27.6178.3-83.6-18.4000113.1E17 S19 N24E17-D21 PolarHBondContact O-N 3.34Å; S19-D21 VanDerWaalsContact C-N 3.32Å; S19-D21 PolarHBondContact O-N 3.42Å; D21-N24 PolarHBondContact O-N 3.22Å
22E55.7Low60.1Low93 Ų93115.4 Ų115.444%0.43562%0.616SS.*Hα-helixtrans-71.7-27179.3-74.1-124.2-163.800113.2S19 N24 N25 R56S19-E22 PolarHBondContact O-N 3.38Å; E22-N24 PolarHBondContact O-N 3Å; E22-N25 WeakPolarHBondContact O-CB 3.48Å; E22-N25 PolarHBondContact O-N 3.44Å; E22-R56 VanDerWaalsContact CD-CZ 3.48Å; E22-R56 VanDerWaalsContact CD-NH1 3.28Å; E22-R56 IonicContact OE1-CZ 2.96Å; E22-R56 IonicContact OE1-NE 3.69Å; E22-R56 IonicContact OE1-NH1 3.22Å; E22-R56 PolarHBondContact OE1-NH1 3.27Å; E22-R56 IonicContact OE1-NH2 2.66Å; E22-R56 PolarHBondContact OE1-NH2 3.33Å; E22-R56 IonicContact OE2-CZ 3.28Å; E22-R56 VanDerWaalsContact OE2-CZ 3.28Å; E22-R56 IonicContact OE2-NH1 2.89Å; E22-R56 PolarHBondContact OE2-NH1 2.92Å; E22-R56 IonicContact OE2-NH2 2.92Å; E22-R56 PolarHBondContact OE2-NH2 2.89Å
23D53.6Low58.7Low142 Ų142118.1 Ų118.176%0.75963%0.63SS**THydrogen-bonded Turntrans-70.2-19.8177.8-76.6-17.9000112.9N25D23-N25 VanDerWaalsContact C-N 3.28Å; D23-N25 PolarHBondContact O-N 2.66Å
24N46.3Very low57.3Low131 Ų131118 Ų11870%0.70163%0.634SS**THydrogen-bonded Turntrans-85.15.8176.3-72.6-57.9000113.9D21 E22 P26D21-N24 PolarHBondContact O-N 3.22Å; E22-N24 PolarHBondContact O-N 3Å; N24-P26 WeakPolarHBondContact O-CD 3.03Å
25N50.2Low55.6Low98 Ų98122 Ų12252%0.52465%0.645SS.*SBendtrans-84.9101.3175.3-131.617.1000108.4E22 D23 L27E22-N25 WeakPolarHBondContact O-CB 3.48Å; E22-N25 PolarHBondContact O-N 3.44Å; D23-N25 VanDerWaalsContact C-N 3.28Å; D23-N25 PolarHBondContact O-N 2.66Å; N25-L27 PolarHBondContact O-N 3.43Å
26P46.3Very low54.4Low111 Ų111120.1 Ų120.172%0.72164%0.635SS**  trans-57.4121.7173.225.4-32.9000107.1N24 Q28N24-P26 WeakPolarHBondContact O-CD 3.03Å; P26-Q28 PolarHBondContact O-N 2.99Å
27L53.1Low53.6Low158 Ų158120.5 Ų120.583%0.82764%0.636SS**  trans-32.7112174.9-68.1157.9000109.1N25 P29N25-L27 PolarHBondContact O-N 3.43Å; L27-P29 VanDerWaalsContact O-CD 3.3Å; L27-P29 WeakPolarHBondContact O-CD 3.3Å
28Q49.4Very low53.1Low157 Ų157124.1 Ų124.173%0.73465%0.653SS**  trans-52.5115.8172.7-73.1-176.4-12.400106.3P26 W30P26-Q28 PolarHBondContact O-N 2.99Å; Q28-W30 PolarHBondContact O-N 3.04Å
29P49.5Very low52.7Low99 Ų99125.9 Ų125.964%0.64366%0.66SS**  trans-62.7119.2172.62.69.2000104.1L27 D31L27-P29 VanDerWaalsContact O-CD 3.3Å; L27-P29 WeakPolarHBondContact O-CD 3.3Å; P29-D31 PolarHBondContact O-N 3.23Å
30W54.4Low52.5Low215 Ų215131.6 Ų131.681%0.81467%0.67SS**  trans-40.3119.6162.344.585.7000107.8Q28 S32Q28-W30 PolarHBondContact O-N 3.04Å; W30-S32 PolarHBondContact O-N 3Å
31D52.6Low52.2Low128 Ų128133.6 Ų133.668%0.68468%0.679SS**  trans-58.8106.4-178.5-84.4-38.2000108.4P29 L33 E34P29-D31 PolarHBondContact O-N 3.23Å; D31-L33 PolarHBondContact O-N 3.03Å; D31-E34 PolarHBondContact O-N 3.03Å
32S53.4Low51.9Low98 Ų98134.1 Ų134.169%0.68568%0.68SS**THydrogen-bonded Turntrans-63.2-16.5-176.456.70000112.7W30W30-S32 PolarHBondContact O-N 3Å
33L56.8Low51.5Low170 Ų170130.6 Ų130.689%0.8967%0.667SS**THydrogen-bonded Turntrans-79.6-17.2176.8-68.7169.6000113.6D31 Y35D31-L33 PolarHBondContact O-N 3.03Å; L33-Y35 VanDerWaalsContact C-N 3.34Å
34E55.3Low51.5Low135 Ų135129.3 Ų129.363%0.63167%0.667SS**THydrogen-bonded Turntrans-81.1-19.9177.2-160.1168.1-159.500111.7D31 N36 K46D31-E34 PolarHBondContact O-N 3.03Å; E34-N36 PolarHBondContact O-N 2.89Å; E34-K46 IonicContact OE1-NZ 2.73Å; E34-K46 PolarHBondContact OE1-NZ 2.84Å
35Y46.1Very low51.9Low179 Ų179131.8 Ų131.870%0.70267%0.668SS**  trans-85.277.1-179.9-158.7-93.6000111.8L33 P37L33-Y35 VanDerWaalsContact C-N 3.34Å; Y35-P37 HydrophobicContact CE1-CB 4.41Å; Y35-P37 WeakPolarHBondContact O-CD 3.4Å
36N52.6Low51.8Low83 Ų83133.1 Ų133.144%0.44467%0.669SS.*  trans-94.3106.7167.3-160.4-15.4000109.8E34 Q38 N39E34-N36 PolarHBondContact O-N 2.89Å; N36-Q38 PolarHBondContact O-N 3Å; N36-Q38 VanDerWaalsContact O-N 3.1Å; N36-N39 PolarHBondContact O-N 2.87Å
37P56.3Low51.9Low69 Ų69138.1 Ų138.145%0.44867%0.673SS.*G310 helixtrans-64.7-17.5-174.124.4-33.4000113.7Y35 R40Y35-P37 HydrophobicContact CE1-CB 4.41Å; Y35-P37 WeakPolarHBondContact O-CD 3.4Å; P37-R40 WeakPolarHBondContact O-CG 3.46Å
38Q55.9Low51.9Low173 Ų173138.7 Ų138.781%0.80866%0.664SS**G310 helixtrans-75.4-27.6174.9-64.3-178.3-300112.3N36 R40N36-Q38 PolarHBondContact O-N 3Å; N36-Q38 VanDerWaalsContact O-N 3.1Å; Q38-R40 PolarHBondContact O-N 3.04Å
39N52.9Low52Low122 Ų122138.1 Ų138.165%0.65266%0.662SS**G310 helixtrans-90.342.3175.9-75.8-6000111.8N36 V41N36-N39 PolarHBondContact O-N 2.87Å; N39-V41 CarbonylContact O-C 3.57Å; N39-V41 PolarHBondContact O-N 3.03Å
40R51.7Low52Low195 Ų195139.9 Ų139.974%0.73666%0.664SS**  trans-62.2-2.6174.5-96-177.7-158.5-158.65.3114.6P37 Q38 I42P37-R40 WeakPolarHBondContact O-CG 3.46Å; Q38-R40 PolarHBondContact O-N 3.04Å; R40-I42 PolarHBondContact O-N 3.05Å
41V48.5Very low51.7Low124 Ų124136.1 Ų136.175%0.75265%0.654SS**  trans-69.482.7161.7-170.80000106.7N39 A43N39-V41 CarbonylContact O-C 3.57Å; N39-V41 PolarHBondContact O-N 3.03Å; V41-A43 PolarHBondContact O-N 3.5Å
42I48.9Very low51.3Low136 Ų136137.4 Ų137.470%0.69765%0.649SS**  trans-5893.3160.8-61.2163.9000104R40R40-I42 PolarHBondContact O-N 3.05Å
43A48.5Very low50.8Low19 Ų19141.3 Ų141.316%0.15765%0.654CS.*  trans-59.3128-179.900000106.5V41 Y45 K46V41-A43 PolarHBondContact O-N 3.5Å; A43-Y45 HydrophobicContact CB-CD1 3.57Å; A43-Y45 HydrophobicContact CB-CE1 3.17Å; A43-Y45 HydrophobicContact CB-CE2 4.22Å; A43-Y45 HydrophobicContact CB-CG 4.27Å; A43-Y45 PolarHBondContact O-N 2.79Å; A43-K46 PolarHBondContact O-N 2.85Å
44P53Low50.1Low116 Ų116136.5 Ų136.575%0.75365%0.646SS**G310 helixtrans-57.6-23.7-170.118.5-30.7000112.5K46P44-K46 VanDerWaalsContact C-N 3.3Å; P44-K46 PolarHBondContact O-N 2.73Å
45Y54.1Low49.9Very low183 Ų183139.5 Ų139.572%0.71866%0.657SS**G310 helixtrans-72.5-13.6177.865.7-102.8000114.9A43A43-Y45 HydrophobicContact CB-CD1 3.57Å; A43-Y45 HydrophobicContact CB-CE1 3.17Å; A43-Y45 HydrophobicContact CB-CE2 4.22Å; A43-Y45 HydrophobicContact CB-CG 4.27Å; A43-Y45 PolarHBondContact O-N 2.79Å
46K49.6Very low50.4Low126 Ų126136.9 Ų136.955%0.54865%0.645SS.*G310 helixtrans-93.35.5178.4-101.6-166.1178.7-1680114.2E34 A43 P44 R48E34-K46 IonicContact OE1-NZ 2.73Å; E34-K46 PolarHBondContact OE1-NZ 2.84Å; A43-K46 PolarHBondContact O-N 2.85Å; P44-K46 VanDerWaalsContact C-N 3.3Å; P44-K46 PolarHBondContact O-N 2.73Å; K46-R48 PolarHBondContact O-N 2.89Å
47R47.9Very low50.3Low215 Ų215140.8 Ų140.881%0.81167%0.667SS**  trans-70.561154-82.1-174.8179.9159.20.6109Q49R47-Q49 PolarHBondContact O-N 2.79Å
48R52.4Low50.3Low170 Ų170141.4 Ų141.464%0.64267%0.672SS**  trans-66.487.8163.9-81.1180158.4-170.6-6.6105.7K46 I50K46-R48 PolarHBondContact O-N 2.89Å; R48-I50 VanDerWaalsContact C-N 3.28Å; R48-I50 PolarHBondContact O-N 2.73Å
49Q52.1Low49.7Very low145 Ų145141.1 Ų141.168%0.67867%0.67SS**  trans-57.4102.6161.8-78.1179.4-19.600105.8R47 F51R47-Q49 PolarHBondContact O-N 2.79Å; Q49-F51 HydrophobicContact CB-CD2 3.86Å; Q49-F51 HydrophobicContact CB-CE2 3.5Å; Q49-F51 HydrophobicContact CB-CZ 4.13Å; Q49-F51 HydrophobicContact CG-CE2 4.38Å; Q49-F51 WeakPolarHBondContact O-CD2 3.34Å; Q49-F51 PolarHBondContact O-N 2.81Å
50I49.9Very low49.4Very low137 Ų137140.5 Ų140.570%0.70367%0.673SS**  trans-71.186.6175.2-55.5172.1000105.5R48 R52R48-I50 VanDerWaalsContact C-N 3.28Å; R48-I50 PolarHBondContact O-N 2.73Å; I50-R52 VanDerWaalsContact C-N 3.34Å; I50-R52 HydrophobicContact CG2-CG 3.84Å; I50-R52 PolarHBondContact O-N 3.1Å
51F47.1Very low49.2Very low135 Ų135136 Ų13659%0.59267%0.667SS**  trans-71.494.3169.6-75.7-76.7000108Q49 F53Q49-F51 HydrophobicContact CB-CD2 3.86Å; Q49-F51 HydrophobicContact CB-CE2 3.5Å; Q49-F51 HydrophobicContact CB-CZ 4.13Å; Q49-F51 HydrophobicContact CG-CE2 4.38Å; Q49-F51 WeakPolarHBondContact O-CD2 3.34Å; Q49-F51 PolarHBondContact O-N 2.81Å; F51-F53 VanDerWaalsContact C-N 3.29Å; F51-F53 HydrophobicContact CB-CD2 3.77Å; F51-F53 HydrophobicContact CB-CE2 3.63Å; F51-F53 AromaticContact CD1-CE2 3.68Å; F51-F53 HydrophobicContact CD1-CE2 3.68Å; F51-F53 HydrophobicContact CD1-CZ 4.07Å; F51-F53 AromaticContact CG-CE2 3.94Å; F51-F53 HydrophobicContact CG-CE2 3.94Å; F51-F53 PolarHBondContact O-N 2.98Å
52R44Very low49.2Very low156 Ų156137.1 Ų137.159%0.58967%0.668SS**  trans-75.182.3173.2-64.5-172.3175.8-144.8-2.2109.1I50I50-R52 VanDerWaalsContact C-N 3.34Å; I50-R52 HydrophobicContact CG2-CG 3.84Å; I50-R52 PolarHBondContact O-N 3.1Å
53F43.1Very low49.2Very low180 Ų180137.9 Ų137.979%0.78966%0.663SS**  trans-98.6114.1166.4-66.4-68.9000109.3F51F51-F53 VanDerWaalsContact C-N 3.29Å; F51-F53 HydrophobicContact CB-CD2 3.77Å; F51-F53 HydrophobicContact CB-CE2 3.63Å; F51-F53 AromaticContact CD1-CE2 3.68Å; F51-F53 HydrophobicContact CD1-CE2 3.68Å; F51-F53 HydrophobicContact CD1-CZ 4.07Å; F51-F53 AromaticContact CG-CE2 3.94Å; F51-F53 HydrophobicContact CG-CE2 3.94Å; F51-F53 PolarHBondContact O-N 2.98Å
54G43Very low49.3Very low69 Ų69144.7 Ų144.771%0.71169%0.689SS**SBendtrans103.7149.9171.200000115R56G54-R56 PolarHBondContact O-N 2.94Å
55K49.7Very low49.4Very low198 Ų198146.6 Ų146.686%0.86169%0.688SS**  trans-40.1120.8-179.8-111.1176.8173.6-1790110.6N57K55-N57 PolarHBondContact O-N 2.91Å
56R56.6Low49.4Very low123 Ų123143.3 Ų143.346%0.46468%0.68SS.*THydrogen-bonded Turntrans-50.9117.3173-58.8177.9-170.8-178.62.9106.3E22 G54E22-R56 VanDerWaalsContact CD-CZ 3.48Å; E22-R56 VanDerWaalsContact CD-NH1 3.28Å; E22-R56 IonicContact OE1-CZ 2.96Å; E22-R56 IonicContact OE1-NE 3.69Å; E22-R56 IonicContact OE1-NH1 3.22Å; E22-R56 PolarHBondContact OE1-NH1 3.27Å; E22-R56 IonicContact OE1-NH2 2.66Å; E22-R56 PolarHBondContact OE1-NH2 3.33Å; E22-R56 IonicContact OE2-CZ 3.28Å; E22-R56 VanDerWaalsContact OE2-CZ 3.28Å; E22-R56 IonicContact OE2-NH1 2.89Å; E22-R56 PolarHBondContact OE2-NH1 2.92Å; E22-R56 IonicContact OE2-NH2 2.92Å; E22-R56 PolarHBondContact OE2-NH2 2.89Å; G54-R56 PolarHBondContact O-N 2.94Å
57N51.3Low50.1Low166 Ų166143.9 Ų143.989%0.88869%0.689SS**THydrogen-bonded Turntrans121.50.5160.2-49.8-10.2000119.4K55K55-N57 PolarHBondContact O-N 2.91Å
58S56Low50.6Low81 Ų81142 Ų14257%0.56669%0.69SS**SBendtrans-120.2-5-17774.30000119.4
59H42.8Very low51.1Low167 Ų167140.4 Ų140.477%0.77369%0.693SS**SBendtrans-130.7122.2174.2-64.3-59000111.2T61H59-T61 PolarHBondContact O-N 3.38Å
60P46.8Very low51.5Low109 Ų109137.4 Ų137.471%0.70869%0.687SS**  trans-60.4142.7176.627.2-32.5000108.1I62P60-I62 VanDerWaalsContact C-N 3.31Å; P60-I62 WeakPolarHBondContact O-CG1 3.26Å; P60-I62 PolarHBondContact O-N 2.78Å
61T48.7Very low52.4Low100 Ų100133.4 Ų133.461%0.61367%0.671SS**  trans-50.993.1176.3-40.50000109.4H59 Y63H59-T61 PolarHBondContact O-N 3.38Å; T61-Y63 HydrophobicContact CG2-CD1 4Å; T61-Y63 HydrophobicContact CG2-CD2 4.3Å; T61-Y63 HydrophobicContact CG2-CE1 3.63Å; T61-Y63 HydrophobicContact CG2-CE2 3.97Å; T61-Y63 HydrophobicContact CG2-CG 4.33Å; T61-Y63 VanDerWaalsContact O-CD2 3.26Å; T61-Y63 WeakPolarHBondContact O-CD2 3.4Å; T61-Y63 PolarHBondContact O-N 3.4Å
62I48.1Very low53.4Low149 Ų149133.2 Ų133.276%0.76468%0.675SS**  trans-74.890.5170.5-56.3175.6000103.9P60 K64P60-I62 VanDerWaalsContact C-N 3.31Å; P60-I62 WeakPolarHBondContact O-CG1 3.26Å; P60-I62 PolarHBondContact O-N 2.78Å; I62-K64 PolarHBondContact O-N 2.94Å
63Y47.9Very low54.5Low152 Ų152135.1 Ų135.160%0.59668%0.683SS**  trans-59.490.3165-58.8-80.5000106.3T61 E65T61-Y63 HydrophobicContact CG2-CD1 4Å; T61-Y63 HydrophobicContact CG2-CD2 4.3Å; T61-Y63 HydrophobicContact CG2-CE1 3.63Å; T61-Y63 HydrophobicContact CG2-CE2 3.97Å; T61-Y63 HydrophobicContact CG2-CG 4.33Å; T61-Y63 VanDerWaalsContact O-CD2 3.26Å; T61-Y63 WeakPolarHBondContact O-CD2 3.4Å; T61-Y63 PolarHBondContact O-N 3.4Å; Y63-E65 PolarHBondContact O-N 3.45Å
64K51.4Low55.9Low161 Ų161131.3 Ų131.370%0.767%0.67SS**  trans-7294.2166.4-168.1168.6177.7-179.30104.7I62 M66I62-K64 PolarHBondContact O-N 2.94Å; K64-M66 HydrophobicContact CD-CE 3.92Å; K64-M66 HydrophobicContact CG-CE 4.42Å; K64-M66 HydrophobicContact CG-CG 4.26Å; K64-M66 PolarHBondContact O-N 3.36Å
65E54.5Low57.3Low156 Ų156132.7 Ų132.773%0.72966%0.66SS**  trans-53.992.6164.5-73-178.5170.100106.8Y63 N67Y63-E65 PolarHBondContact O-N 3.45Å; E65-N67 PolarHBondContact O-N 2.83Å
66M55.1Low58.3Low114 Ų114132.6 Ų132.656%0.56266%0.656SS**  trans-79.183.3170.9-67-145.3-178.300106.3K64 E68 L69K64-M66 HydrophobicContact CD-CE 3.92Å; K64-M66 HydrophobicContact CG-CE 4.42Å; K64-M66 HydrophobicContact CG-CG 4.26Å; K64-M66 PolarHBondContact O-N 3.36Å; M66-E68 PolarHBondContact O-N 3Å; M66-L69 HydrophobicContact CB-CD1 4.45Å; M66-L69 HydrophobicContact CB-CG 4.25Å
67N62.9Low59Low138 Ų138137.4 Ų137.474%0.73867%0.674SS**THydrogen-bonded Turntrans-63.5-2.8175.5-70.9-22.2000113.2E65E65-N67 PolarHBondContact O-N 2.83Å
68E59Low59.5Low175 Ų175141.5 Ų141.582%0.81868%0.684SS**THydrogen-bonded Turntrans-132.136-172.6-61.2178.2-17300112.2M66 P70M66-E68 PolarHBondContact O-N 3Å; E68-P70 VanDerWaalsContact O-CD 3.24Å; E68-P70 WeakPolarHBondContact O-CD 3.46Å
69L63.2Low59.7Low137 Ų137144.5 Ų144.572%0.71769%0.69SS**PPolyproline II helixtrans-65.4116.7159.1-79.7161.7000107M66 S71M66-L69 HydrophobicContact CB-CD1 4.45Å; M66-L69 HydrophobicContact CB-CG 4.25Å; L69-S71 PolarHBondContact O-N 3.35Å
70P61.3Low60.6Low83 Ų83143.3 Ų143.354%0.53969%0.686SS.*PPolyproline II helixtrans-56.3132.6175.422.8-31.4000108.2E68 L72 I75E68-P70 VanDerWaalsContact O-CD 3.24Å; E68-P70 WeakPolarHBondContact O-CD 3.46Å; P70-L72 PolarHBondContact O-N 3.03Å; P70-I75 HydrophobicContact CG-CD1 4.43Å
71S67.4Low61.4Low53 Ų53145.2 Ų145.237%0.37168%0.684SS.*PPolyproline II helixtrans-56.4136.2176.6-179.30000108.3L69 W73 D74 I75L69-S71 PolarHBondContact O-N 3.35Å; S71-W73 PolarHBondContact O-N 3.21Å; S71-W73 PolarHBondContact OG-N 3.42Å; S71-D74 WeakPolarHBondContact CB-OD2 3.24Å; S71-D74 WeakPolarHBondContact O-CB 3.46Å; S71-D74 PolarHBondContact O-N 3Å; S71-I75 PolarHBondContact O-N 2.74Å
72L69.6Low62.1Low131 Ų131147.9 Ų147.969%0.68669%0.688SS**Hα-helixtrans-52.3-28.7174-77.2164.8000111.4P70 I75 Y76P70-L72 PolarHBondContact O-N 3.03Å; L72-I75 PolarHBondContact O-N 3.01Å; L72-Y76 PolarHBondContact O-N 3.23Å
73W66.4Low63Low196 Ų196147.8 Ų147.874%0.74268%0.684SS**Hα-helixtrans-66.3-34.4174.5-70.2105.9000114.2S71 Y76 R77S71-W73 PolarHBondContact O-N 3.21Å; S71-W73 PolarHBondContact OG-N 3.42Å; W73-Y76 PolarHBondContact O-N 3.44Å; W73-R77 PolarHBondContact O-N 3.24Å
74D71.3Confident64Low99 Ų99147.5 Ų147.553%0.52969%0.69SS.*Hα-helixtrans-73.6-33178.1-63.6-31.7000111.1S71 Y76S71-D74 WeakPolarHBondContact CB-OD2 3.24Å; S71-D74 WeakPolarHBondContact O-CB 3.46Å; S71-D74 PolarHBondContact O-N 3Å; D74-Y76 VanDerWaalsContact C-N 3.35Å
75I73.3Confident64.9Low98 Ų98146.6 Ų146.650%0.50369%0.689SS.*Hα-helixtrans-65.8-40.4174.6-59.2174.8000110.3P70 S71 L72 R77P70-I75 HydrophobicContact CG-CD1 4.43Å; S71-I75 PolarHBondContact O-N 2.74Å; L72-I75 PolarHBondContact O-N 3.01Å; I75-R77 VanDerWaalsContact C-N 3.3Å; I75-R77 PolarHBondContact O-N 3.47Å
76Y71.5Confident65.7Low197 Ų197145.8 Ų145.877%0.77369%0.686SS**Hα-helixtrans-73.7-16.1-177.8-101.4-80.1000114.9L72 W73 D74L72-Y76 PolarHBondContact O-N 3.23Å; W73-Y76 PolarHBondContact O-N 3.44Å; D74-Y76 VanDerWaalsContact C-N 3.35Å
77R71.4Confident66.6Low223 Ų223148.5 Ų148.584%0.84270%0.696SS**THydrogen-bonded Turntrans-91.3-13.6179.5-81.4-172.5-179.2179.52114.4W73 I75W73-R77 PolarHBondContact O-N 3.24Å; I75-R77 VanDerWaalsContact C-N 3.3Å; I75-R77 PolarHBondContact O-N 3.47Å
78K61.4Low66.9Low252 Ų252149.5 Ų149.5100%1.09669%0.692SS**  trans-87.90174.7-100.1-175.1175.5178.90110.9

Retrieved 78 of 78 residues in 13.3 ms (Link to these results)