A0A3Q0KUS2_SCHMA Loading...

Smp_201730

AlphaFold DB , UniProt , Accession A0A3Q0KUS2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 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
1M60.2Low69.7Low213 Ų213146.6 Ų146.6100%1.04966%0.662SS**  0-29.30-62.5-178.3-161.600115.4R3M1-R3 PolarHBondContact O-N 3.33Å
2R63.2Low70.8Confident222 Ų222145.5 Ų145.584%0.83866%0.656SS**Hα-helixtrans-65.4-36-178.6-74.1-176.6-176.5-179.41.1115.3I4 K5R2-I4 PolarHBondContact O-N 3.48Å; R2-K5 PolarHBondContact O-N 3.35Å
3R64.5Low71.8Confident218 Ų218140.6 Ų140.682%0.82364%0.637SS**Hα-helixtrans-66.4-32.5-176.8-68-160.4179.6-156.32.2114.2M1 L6 I7M1-R3 PolarHBondContact O-N 3.33Å; R3-L6 PolarHBondContact O-N 3.43Å; R3-I7 WeakPolarHBondContact O-CG1 3.32Å; R3-I7 PolarHBondContact O-N 3.06Å
4I65.7Low72.8Confident118 Ų118138.6 Ų138.661%0.60563%0.633SS**Hα-helixtrans-68.3-39.1-179.4-64.3163.9000111.1R2 L6 I7 W8R2-I4 PolarHBondContact O-N 3.48Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.47Å; I4-I7 PolarHBondContact O-N 3.31Å; I4-W8 PolarHBondContact O-N 2.94Å; I4-W8 VanDerWaalsContact O-N 3.16Å
5K67.1Low73.6Confident169 Ų169135.1 Ų135.174%0.73562%0.62SS**Hα-helixtrans-62.6-36.7176-69.8-171175.4-173.40112.5R2 N9R2-K5 PolarHBondContact O-N 3.35Å; K5-N9 WeakPolarHBondContact O-CB 3.41Å; K5-N9 PolarHBondContact O-N 3.41Å
6L66.6Low74.2Confident107 Ų107130.4 Ų130.456%0.5660%0.604SS**Hα-helixtrans-67.4-39.2177.1-93134000112.6R3 I4 N9 N10R3-L6 PolarHBondContact O-N 3.43Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.47Å; L6-N9 PolarHBondContact O-N 3.34Å; L6-N10 PolarHBondContact O-N 3.3Å; L6-N10 VanDerWaalsContact O-N 3.09Å; L6-N10 PolarHBondContact O-ND2 3.49Å
7I71.8Confident74.7Confident102 Ų102127.7 Ų127.752%0.52360%0.599SS.*Hα-helixtrans-66.3-46.2178.5-64.5164.5000110.1R3 I4 N9 N10 I11R3-I7 WeakPolarHBondContact O-CG1 3.32Å; R3-I7 PolarHBondContact O-N 3.06Å; I4-I7 PolarHBondContact O-N 3.31Å; I7-N9 VanDerWaalsContact C-N 3.35Å; I7-N9 PolarHBondContact O-N 3.44Å; I7-N10 PolarHBondContact O-N 3.41Å; I7-I11 HydrophobicContact CG2-CD1 3.79Å; I7-I11 HydrophobicContact CG2-CG1 4.49Å; I7-I11 WeakPolarHBondContact O-CG1 3.26Å; I7-I11 PolarHBondContact O-N 3.34Å
8W71.7Confident75Confident200 Ų200128.9 Ų128.976%0.75860%0.602SS**Hα-helixtrans-61.2-40.9176.6-105.762.9000112.9I4 I11 F12I4-W8 PolarHBondContact O-N 2.94Å; I4-W8 VanDerWaalsContact O-N 3.16Å; W8-I11 PolarHBondContact O-N 3.4Å; W8-F12 WeakPolarHBondContact O-CB 2.98Å; W8-F12 PolarHBondContact O-N 2.93Å
9N76.4Confident75.2Confident91 Ų91127.5 Ų127.549%0.48760%0.598SS.*Hα-helixtrans-64.3-42.2177.2-167.339.6000112.1K5 L6 I7 F12 I13K5-N9 WeakPolarHBondContact O-CB 3.41Å; K5-N9 PolarHBondContact O-N 3.41Å; L6-N9 PolarHBondContact O-N 3.34Å; I7-N9 VanDerWaalsContact C-N 3.35Å; I7-N9 PolarHBondContact O-N 3.44Å; N9-F12 PolarHBondContact O-N 3.16Å; N9-I13 WeakPolarHBondContact O-CD1 3.22Å; N9-I13 WeakPolarHBondContact O-CG1 3.47Å; N9-I13 PolarHBondContact O-N 3.22Å
10N77.1Confident75Confident86 Ų86124.5 Ų124.546%0.4659%0.591SS.*Hα-helixtrans-64.7-43176.5-80.9-72.2000112L6 I7 F12 I13 I14L6-N10 PolarHBondContact O-N 3.3Å; L6-N10 VanDerWaalsContact O-N 3.09Å; L6-N10 PolarHBondContact O-ND2 3.49Å; I7-N10 PolarHBondContact O-N 3.41Å; N10-F12 VanDerWaalsContact C-N 3.32Å; N10-F12 PolarHBondContact O-N 3.33Å; N10-I13 PolarHBondContact O-N 3.44Å; N10-I14 WeakPolarHBondContact O-CD1 3.28Å; N10-I14 VanDerWaalsContact O-CG1 3.24Å; N10-I14 WeakPolarHBondContact O-CG1 3.46Å; N10-I14 PolarHBondContact O-N 3.45Å
11I82.4Confident74.7Confident87 Ų87122 Ų12245%0.44658%0.583SS.*Hα-helixtrans-60.3-44.9176-68.1167.2000110.3I7 W8 I13 I14 I15I7-I11 HydrophobicContact CG2-CD1 3.79Å; I7-I11 HydrophobicContact CG2-CG1 4.49Å; I7-I11 WeakPolarHBondContact O-CG1 3.26Å; I7-I11 PolarHBondContact O-N 3.34Å; W8-I11 PolarHBondContact O-N 3.4Å; I11-I13 PolarHBondContact O-N 3.35Å; I11-I14 PolarHBondContact O-N 2.64Å; I11-I15 HydrophobicContact CG2-CD1 3.7Å; I11-I15 HydrophobicContact CG2-CG1 4.42Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.36Å; I11-I15 PolarHBondContact O-N 3.46Å
12F82.9Confident74.9Confident133 Ų133113.8 Ų113.858%0.58355%0.547SS*.Hα-helixtrans-60.7-45.4177.3-174.8-99.7000112.1W8 N9 N10 I14 I15 V16W8-F12 WeakPolarHBondContact O-CB 2.98Å; W8-F12 PolarHBondContact O-N 2.93Å; N9-F12 PolarHBondContact O-N 3.16Å; N10-F12 VanDerWaalsContact C-N 3.32Å; N10-F12 PolarHBondContact O-N 3.33Å; F12-I14 PolarHBondContact O-N 3.15Å; F12-I15 PolarHBondContact O-N 3.12Å; F12-V16 HydrophobicContact CD1-CG2 4.13Å; F12-V16 HydrophobicContact CE1-CG2 3.76Å; F12-V16 HydrophobicContact CE2-CG2 4.39Å; F12-V16 HydrophobicContact CZ-CG2 3.9Å; F12-V16 VanDerWaalsContact O-CG2 3.32Å; F12-V16 WeakPolarHBondContact O-CG2 3.24Å; F12-V16 PolarHBondContact O-N 2.91Å
13I84.2Confident74.8Confident82 Ų82106.5 Ų106.542%0.42153%0.53SS..Hα-helixtrans-60.2-45.6176.8-67.7163.9000110.9N9 N10 I11 I15 V16 V17N9-I13 WeakPolarHBondContact O-CD1 3.22Å; N9-I13 WeakPolarHBondContact O-CG1 3.47Å; N9-I13 PolarHBondContact O-N 3.22Å; N10-I13 PolarHBondContact O-N 3.44Å; I11-I13 PolarHBondContact O-N 3.35Å; I13-I15 VanDerWaalsContact C-N 3.34Å; I13-I15 PolarHBondContact O-N 3.4Å; I13-V16 PolarHBondContact O-N 3.4Å; I13-V17 HydrophobicContact CG2-CG2 4.38Å; I13-V17 VanDerWaalsContact O-CG2 3.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 3.3Å
14I84.7Confident74.5Confident113 Ų113102.5 Ų102.558%0.57952%0.521SS*.Hα-helixtrans-61.3-44179.1-67.3164.1000110.8N10 I11 F12 V17 F18N10-I14 WeakPolarHBondContact O-CD1 3.28Å; N10-I14 VanDerWaalsContact O-CG1 3.24Å; N10-I14 WeakPolarHBondContact O-CG1 3.46Å; N10-I14 PolarHBondContact O-N 3.45Å; I11-I14 PolarHBondContact O-N 2.64Å; F12-I14 PolarHBondContact O-N 3.15Å; I14-V17 PolarHBondContact O-N 3.47Å; I14-F18 WeakPolarHBondContact O-CB 3.48Å; I14-F18 PolarHBondContact O-N 3.45Å
15I84.7Confident74.2Confident86 Ų86101.9 Ų101.944%0.44151%0.514SS..Hα-helixtrans-62.3-45.5177.9-68.3167000110.6I11 F12 I13 V17 F18 I19I11-I15 HydrophobicContact CG2-CD1 3.7Å; I11-I15 HydrophobicContact CG2-CG1 4.42Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.36Å; I11-I15 PolarHBondContact O-N 3.46Å; F12-I15 PolarHBondContact O-N 3.12Å; I13-I15 VanDerWaalsContact C-N 3.34Å; I13-I15 PolarHBondContact O-N 3.4Å; I15-V17 PolarHBondContact O-N 3.31Å; I15-F18 PolarHBondContact O-N 3.28Å; I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.41Å; I15-I19 VanDerWaalsContact O-CG1 3.28Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.49Å
16V83.8Confident73.3Confident60 Ų60101.8 Ų101.836%0.36451%0.509SS..Hα-helixtrans-61.3-45.4178171.60000111.2F12 I13 F18 I19 C20F12-V16 HydrophobicContact CD1-CG2 4.13Å; F12-V16 HydrophobicContact CE1-CG2 3.76Å; F12-V16 HydrophobicContact CE2-CG2 4.39Å; F12-V16 HydrophobicContact CZ-CG2 3.9Å; F12-V16 VanDerWaalsContact O-CG2 3.32Å; F12-V16 WeakPolarHBondContact O-CG2 3.24Å; F12-V16 PolarHBondContact O-N 2.91Å; I13-V16 PolarHBondContact O-N 3.4Å; V16-F18 VanDerWaalsContact C-N 3.34Å; V16-F18 PolarHBondContact O-N 2.74Å; V16-I19 PolarHBondContact O-N 3.39Å; V16-C20 WeakPolarHBondContact O-CB 3.5Å; V16-C20 PolarHBondContact O-N 3.3Å; V16-C20 PolarHBondContact O-SG 3.46Å; V16-C20 VanDerWaalsContact O-SG 3.33Å
17V82.4Confident72.6Confident84 Ų84105.4 Ų105.451%0.50952%0.515SS..Hα-helixtrans-62.2-41.6176.9171.80000111.3I13 I14 I15 C20 T21I13-V17 HydrophobicContact CG2-CG2 4.38Å; I13-V17 VanDerWaalsContact O-CG2 3.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 3.3Å; I14-V17 PolarHBondContact O-N 3.47Å; I15-V17 PolarHBondContact O-N 3.31Å; V17-C20 PolarHBondContact O-N 2.97Å; V17-T21 HydrophobicContact CG1-CG2 4.43Å; V17-T21 WeakPolarHBondContact O-CG2 3.33Å; V17-T21 PolarHBondContact O-N 3.3Å; V17-T21 PolarHBondContact O-OG1 2.92Å
18F79.9Confident71.8Confident150 Ų150103.2 Ų103.266%0.65850%0.503SS*.Hα-helixtrans-63.9-43.1177.4-169.9-98.3000111.9I14 I15 V16 T21 S22I14-F18 WeakPolarHBondContact O-CB 3.48Å; I14-F18 PolarHBondContact O-N 3.45Å; I15-F18 PolarHBondContact O-N 3.28Å; V16-F18 VanDerWaalsContact C-N 3.34Å; V16-F18 PolarHBondContact O-N 2.74Å; F18-T21 PolarHBondContact O-OG1 2.91Å; F18-S22 WeakPolarHBondContact O-CB 3.31Å; F18-S22 PolarHBondContact O-N 2.95Å; F18-S22 PolarHBondContact O-OG 3.46Å
19I78.5Confident71Confident101 Ų10198 Ų9852%0.51849%0.49SS..Hα-helixtrans-62.9-48175.4-66.6166.9000110.5I15 V16 T21 S22 S23I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.41Å; I15-I19 VanDerWaalsContact O-CG1 3.28Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.49Å; V16-I19 PolarHBondContact O-N 3.39Å; I19-T21 PolarHBondContact O-N 2.94Å; I19-S22 PolarHBondContact O-N 3.29Å; I19-S22 PolarHBondContact O-OG 2.94Å; I19-S23 PolarHBondContact O-N 3Å; I19-S23 VanDerWaalsContact O-N 3.12Å
20C71.9Confident70Confident68 Ų68100.6 Ų100.646%0.45950%0.504SS..Hα-helixtrans-58.3-49.5179.1-730000112.2V16 V17 S22 S23 E24V16-C20 WeakPolarHBondContact O-CB 3.5Å; V16-C20 PolarHBondContact O-N 3.3Å; V16-C20 PolarHBondContact O-SG 3.46Å; V16-C20 VanDerWaalsContact O-SG 3.33Å; V17-C20 PolarHBondContact O-N 2.97Å; C20-S22 VanDerWaalsContact C-N 3.33Å; C20-S22 PolarHBondContact O-N 3.44Å; C20-S23 PolarHBondContact O-N 3.29Å; C20-S23 VanDerWaalsContact O-N 3.15Å; C20-S23 PolarHBondContact O-OG 2.96Å; C20-E24 PolarHBondContact O-N 2.92Å
21T69.1Low69.5Low71 Ų7199.7 Ų99.744%0.43650%0.499SS..Hα-helixtrans-64.4-35.8179.951.40000112.8V17 F18 I19 S23 E24 F25V17-T21 HydrophobicContact CG1-CG2 4.43Å; V17-T21 WeakPolarHBondContact O-CG2 3.33Å; V17-T21 PolarHBondContact O-N 3.3Å; V17-T21 PolarHBondContact O-OG1 2.92Å; F18-T21 PolarHBondContact O-OG1 2.91Å; I19-T21 PolarHBondContact O-N 2.94Å; T21-S23 VanDerWaalsContact C-N 3.32Å; T21-S23 PolarHBondContact O-N 3.09Å; T21-E24 PolarHBondContact O-N 2.84Å; T21-F25 PolarHBondContact O-N 3.47Å
22S64.5Low69.1Low42 Ų42100.6 Ų100.629%0.29451%0.51SS..Hα-helixtrans-63.9-38.2174.776.10000112F18 I19 C20 E24 F25 W26F18-S22 WeakPolarHBondContact O-CB 3.31Å; F18-S22 PolarHBondContact O-N 2.95Å; F18-S22 PolarHBondContact O-OG 3.46Å; I19-S22 PolarHBondContact O-N 3.29Å; I19-S22 PolarHBondContact O-OG 2.94Å; C20-S22 VanDerWaalsContact C-N 3.33Å; C20-S22 PolarHBondContact O-N 3.44Å; S22-E24 VanDerWaalsContact C-N 3.3Å; S22-E24 PolarHBondContact O-N 2.03Å; S22-F25 WeakPolarHBondContact O-CB 3.46Å; S22-F25 PolarHBondContact O-N 3.33Å; S22-F25 VanDerWaalsContact O-N 3.16Å; S22-W26 PolarHBondContact O-N 3.35Å; S22-W26 VanDerWaalsContact O-N 3.11Å
23S61.9Low69Low68 Ų6897.4 Ų97.448%0.47650%0.504SS..Hα-helixtrans-64.3-33.2-178.773.60000113.3I19 C20 T21 R27I19-S23 PolarHBondContact O-N 3Å; I19-S23 VanDerWaalsContact O-N 3.12Å; C20-S23 PolarHBondContact O-N 3.29Å; C20-S23 VanDerWaalsContact O-N 3.15Å; C20-S23 PolarHBondContact O-OG 2.96Å; T21-S23 VanDerWaalsContact C-N 3.32Å; T21-S23 PolarHBondContact O-N 3.09Å; S23-R27 PolarHBondContact O-N 3.26Å
24E58.2Low68.9Low134 Ų13497 Ų9763%0.62650%0.499SS*.Hα-helixtrans-69.1-38.5175.3-62.1-172.8104.900111.7C20 T21 S22 R27C20-E24 PolarHBondContact O-N 2.92Å; T21-E24 PolarHBondContact O-N 2.84Å; S22-E24 VanDerWaalsContact C-N 3.3Å; S22-E24 PolarHBondContact O-N 2.03Å; E24-R27 PolarHBondContact O-N 3.36Å
25F57.6Low68.9Low106 Ų10696.9 Ų96.947%0.46550%0.5SS..Hα-helixtrans-65-41.3176.8-175.5-100.9000112.2T21 S22 R27 F45T21-F25 PolarHBondContact O-N 3.47Å; S22-F25 WeakPolarHBondContact O-CB 3.46Å; S22-F25 PolarHBondContact O-N 3.33Å; S22-F25 VanDerWaalsContact O-N 3.16Å; F25-R27 VanDerWaalsContact C-N 3.32Å; F25-R27 PolarHBondContact O-N 3.3Å; F25-F45 HydrophobicContact CZ-CB 4.06Å; F25-F45 HydrophobicContact CZ-CD2 4.02Å; F25-F45 HydrophobicContact CZ-CG 4.29Å
26W48.8Very low69Low167 Ų16797 Ų9763%0.63350%0.5SS*.Hα-helixtrans-70.8-26.2177.8-67.3109.8000113.4S22 E28 N29S22-W26 PolarHBondContact O-N 3.35Å; S22-W26 VanDerWaalsContact O-N 3.11Å; W26-E28 PolarHBondContact O-N 3.11Å; W26-N29 PolarHBondContact O-N 3.44Å
27R52.3Low69.1Low183 Ų18396.8 Ų96.869%0.69151%0.51SS*.Hα-helixtrans-63.2-32.1179.8-159.3160.281.1-170.74.5112S23 E24 F25 N29 N30 L31S23-R27 PolarHBondContact O-N 3.26Å; E24-R27 PolarHBondContact O-N 3.36Å; F25-R27 VanDerWaalsContact C-N 3.32Å; F25-R27 PolarHBondContact O-N 3.3Å; R27-N29 VanDerWaalsContact C-N 3.31Å; R27-N29 PolarHBondContact O-N 3.46Å; R27-N30 PolarHBondContact O-N 3.35Å; R27-L31 HydrophobicContact CG-CD1 4.4Å; R27-L31 WeakPolarHBondContact O-CD1 3.04Å
28E55.2Low69.3Low55 Ų5595.1 Ų95.126%0.25750%0.5SS..G310 helixtrans-62.7-32.7-178.4-164.5108.1104.400113.4W26 N30 L31 S46W26-E28 PolarHBondContact O-N 3.11Å; E28-N30 VanDerWaalsContact C-N 3.29Å; E28-N30 PolarHBondContact O-N 3.48Å; E28-L31 PolarHBondContact O-N 3.05Å; E28-S46 WeakPolarHBondContact CG-OG 3.01Å; E28-S46 WeakPolarHBondContact OE1-CB 3.35Å; E28-S46 PolarHBondContact OE1-OG 3.16Å
29N54Low69.6Low90 Ų9093.4 Ų93.448%0.48149%0.493SS..G310 helixtrans-72.9-19.2-176.9-75.9-65.5000114W26 R27 F45W26-N29 PolarHBondContact O-N 3.44Å; R27-N29 VanDerWaalsContact C-N 3.31Å; R27-N29 PolarHBondContact O-N 3.46Å; N29-F45 PolarHBondContact OD1-O 3.35Å
30N56.5Low69.9Low147 Ų14788.6 Ų88.679%0.78647%0.468SS*.G310 helixtrans-102.76.7177.7-74.7-63.5000113R27 E28R27-N30 PolarHBondContact O-N 3.35Å; E28-N30 VanDerWaalsContact C-N 3.29Å; E28-N30 PolarHBondContact O-N 3.48Å
31L65Low70.2Confident67 Ų6790.8 Ų90.835%0.35147%0.467SS..SBendtrans-69.8136.9174.3-95.570.7000109.4R27 E28 C33R27-L31 HydrophobicContact CG-CD1 4.4Å; R27-L31 WeakPolarHBondContact O-CD1 3.04Å; E28-L31 PolarHBondContact O-N 3.05Å; L31-C33 PolarHBondContact O-N 3Å
32P74.7Confident70.2Confident105 Ų10589.8 Ų89.868%0.68246%0.456SS*.PPolyproline II helixtrans-55.3145170.825.1-33.5000109.1Q47P32-Q47 PolarHBondContact O-NE2 2.81Å
33C81.4Confident70.3Confident67 Ų6790.8 Ų90.845%0.45346%0.458SS..PPolyproline II helixtrans-56.3152.8175.564.60000110.1L31 R48 C50L31-C33 PolarHBondContact O-N 3Å; C33-R48 WeakPolarHBondContact CA-O 3.45Å; C33-C50 HydrophobicContact CB-CB 3.83Å; C33-C50 WeakPolarHBondContact CB-SG 3.44Å; C33-C50 PolarHBondContact O-SG 2.82Å; C33-C50 WeakPolarHBondContact SG-CA 3.26Å; C33-C50 WeakPolarHBondContact SG-CB 3.39Å; C33-C50 CovalentContact SG-SG 2.03Å; C33-C50 PolarHBondContact SG-SG 3.23Å
34K80.9Confident70.2Confident72 Ų7293 Ų9331%0.31347%0.471SS..BIsolated β-bridgetrans-90.7127.3-176.6-78.8-72.5173176.20110.5T38 Q47 R48 C49 C50K34-T38 VanDerWaalsContact CB-OG1 3.26Å; K34-T38 WeakPolarHBondContact CB-OG1 3.44Å; K34-Q47 HydrophobicContact CB-CG 4.42Å; K34-Q47 VanDerWaalsContact CE-OE1 3.28Å; K34-Q47 HydrophobicContact CG-CG 3.55Å; K34-R48 PolarHBondContact N-O 3.29Å; K34-C49 CarbonylContact O-C 3.59Å; K34-C49 WeakPolarHBondContact O-CA 2.95Å; K34-C50 PolarHBondContact O-N 2.03Å
35N84.6Confident70.1Confident112 Ų11293.2 Ų93.260%0.59947%0.47SS*.PPolyproline II helixtrans-63.7160.8177.9-75-49.2000111.7G37 T38 C65N35-G37 PolarHBondContact O-N 2.63Å; N35-T38 HydrophobicContact CB-CG2 4.08Å; N35-T38 PolarHBondContact N-OG1 3.04Å; N35-T38 WeakPolarHBondContact O-CB 3.39Å; N35-T38 WeakPolarHBondContact O-CG2 3.45Å; N35-T38 PolarHBondContact O-N 3.36Å; N35-T38 VanDerWaalsContact O-N 3.1Å; N35-T38 PolarHBondContact O-OG1 2.62Å; N35-C65 WeakPolarHBondContact O-CB 2.94Å
36L88.4Confident70Confident88 Ų8889 Ų8946%0.46145%0.453SS..THydrogen-bonded Turntrans-53.6137.1174.4-169.874.4000110.9T38 T53 R67L36-T38 PolarHBondContact O-N 3.38Å; L36-T53 HydrophobicContact CD1-CG2 3.97Å; L36-R67 HydrophobicContact CD1-CG 3.68Å; L36-R67 HydrophobicContact CD2-CG 4.08Å
37G86.2Confident70.6Confident55 Ų5582.3 Ų82.357%0.56743%0.429SS*.THydrogen-bonded Turntrans80.7-5-178.800000114.8N35 T64 C65N35-G37 PolarHBondContact O-N 2.63Å; G37-T64 WeakPolarHBondContact O-CG2 3.49Å; G37-C65 PolarHBondContact N-O 3.03Å
38T86.2Confident71.6Confident49 Ų4983.7 Ų83.730%0.30144%0.435SS..SBendtrans-88.1158.8177.667.70000112.3K34 N35 L36 T64 C65K34-T38 VanDerWaalsContact CB-OG1 3.26Å; K34-T38 WeakPolarHBondContact CB-OG1 3.44Å; N35-T38 HydrophobicContact CB-CG2 4.08Å; N35-T38 PolarHBondContact N-OG1 3.04Å; N35-T38 WeakPolarHBondContact O-CB 3.39Å; N35-T38 WeakPolarHBondContact O-CG2 3.45Å; N35-T38 PolarHBondContact O-N 3.36Å; N35-T38 VanDerWaalsContact O-N 3.1Å; N35-T38 PolarHBondContact O-OG1 2.62Å; L36-T38 PolarHBondContact O-N 3.38Å; T38-T64 WeakPolarHBondContact O-CA 3.39Å; T38-C65 PolarHBondContact O-N 3.2Å
39F84.9Confident72.8Confident115 Ų11581.6 Ų81.650%0.50443%0.426SS..EExtended strand (participates in β ladder)trans-64.7136.2179.1177.3-95.4000112R41 S62 G63F39-R41 HydrophobicContact CD1-CG 4.41Å; F39-R41 HydrophobicContact CE1-CG 3.43Å; F39-R41 VanDerWaalsContact CE1-CG 3.43Å; F39-R41 HydrophobicContact CZ-CG 3.72Å; F39-S62 WeakPolarHBondContact CE2-OG 3.46Å; F39-G63 WeakPolarHBondContact CA-O 2.9Å
40C84.9Confident74.2Confident0 Ų078.5 Ų78.50%041%0.411CS..EExtended strand (participates in β ladder)trans-134.2156.5177.160.70000111.6C55 G63 T64C40-C55 HydrophobicContact CB-CB 3.93Å; C40-C55 WeakPolarHBondContact CB-SG 3.45Å; C40-C55 WeakPolarHBondContact SG-CA 2.98Å; C40-C55 WeakPolarHBondContact SG-CB 3.39Å; C40-C55 CovalentContact SG-SG 2.03Å; C40-C55 PolarHBondContact SG-SG 2.58Å; C40-G63 PolarHBondContact N-O 3.1Å; C40-G63 PolarHBondContact O-N 3.49Å; C40-T64 PolarHBondContact SG-N 3.44Å
41R79.3Confident75.4Confident114 Ų11478.7 Ų78.743%0.4341%0.412SS..  trans-127.8127.3174.7-60.8-175.868.5-175.3-0.5109.8F39 L43 F61F39-R41 HydrophobicContact CD1-CG 4.41Å; F39-R41 HydrophobicContact CE1-CG 3.43Å; F39-R41 VanDerWaalsContact CE1-CG 3.43Å; F39-R41 HydrophobicContact CZ-CG 3.72Å; R41-L43 HydrophobicContact CB-CD1 3.67Å; R41-L43 PolarHBondContact O-N 2.84Å; R41-F61 VanDerWaalsContact CA-O 3.23Å; R41-F61 WeakPolarHBondContact CA-O 3.15Å; R41-F61 WeakPolarHBondContact CB-O 3.26Å; R41-F61 VanDerWaalsContact CG-O 3.24Å; R41-F61 WeakPolarHBondContact CG-O 3.41Å
42K68.6Low76.1Confident50 Ų5081 Ų8122%0.21743%0.429CS..  trans-91.176.8178.5-161.2164-172.4168.90109.5L57 L76 E80K42-L57 HydrophobicContact CB-CD1 3.9Å; K42-L57 HydrophobicContact CB-CD2 4.02Å; K42-L57 HydrophobicContact CB-CG 4.29Å; K42-L57 HydrophobicContact CD-CD1 3.39Å; K42-L57 HydrophobicContact CG-CD1 4.28Å; K42-L76 VanDerWaalsContact CE-CD1 3.47Å; K42-E80 IonicContact NZ-OE1 3.16Å; K42-E80 PolarHBondContact NZ-OE1 2.02Å; K42-E80 VanDerWaalsContact NZ-OE1 3.16Å; K42-E80 IonicContact NZ-OE2 3.74Å
43L67.7Low76.6Confident62 Ų6277.3 Ų77.333%0.32541%0.405SS..  trans-90.4151.7160.8-57.489.4000108.6R41 F45 S46R41-L43 HydrophobicContact CB-CD1 3.67Å; R41-L43 PolarHBondContact O-N 2.84Å; L43-F45 PolarHBondContact O-N 2.02Å; L43-S46 PolarHBondContact O-N 3.08Å; L43-S46 VanDerWaalsContact O-N 3.08Å
44P59.6Low76.9Confident115 Ų11575 Ų7575%0.74739%0.388SS*.THydrogen-bonded Turntrans-53.1-20.7-177.316.6-31.5000114.9
45F55.1Low77.2Confident138 Ų13872.3 Ų72.361%0.60538%0.378SS*.THydrogen-bonded Turntrans-130.824-179.1-55.7-75.5000113.3F25 N29 L43F25-F45 HydrophobicContact CZ-CB 4.06Å; F25-F45 HydrophobicContact CZ-CD2 4.02Å; F25-F45 HydrophobicContact CZ-CG 4.29Å; N29-F45 PolarHBondContact OD1-O 3.35Å; L43-F45 PolarHBondContact O-N 2.02Å
46S56.3Low77.4Confident17 Ų1767.5 Ų67.512%0.11935%0.353CS..  trans-106.8173.4-171.3179.10000115E28 L43 R48E28-S46 WeakPolarHBondContact CG-OG 3.01Å; E28-S46 WeakPolarHBondContact OE1-CB 3.35Å; E28-S46 PolarHBondContact OE1-OG 3.16Å; L43-S46 PolarHBondContact O-N 3.08Å; L43-S46 VanDerWaalsContact O-N 3.08Å; S46-R48 PolarHBondContact O-N 3.43Å
47Q61Low77.3Confident28 Ų2864.9 Ų64.913%0.13134%0.339CS..  trans-29.9114.5179.7-177.3150.757.100114.2P32 K34P32-Q47 PolarHBondContact O-NE2 2.81Å; K34-Q47 HydrophobicContact CB-CG 4.42Å; K34-Q47 VanDerWaalsContact CE-OE1 3.28Å; K34-Q47 HydrophobicContact CG-CG 3.55Å
48R73Confident77.1Confident211 Ų21168.9 Ų68.980%0.79634%0.341SS*.PPolyproline II helixtrans-86.1144.5173.6-61.8-176.7-176.1170.73.6110.2C33 K34 S46C33-R48 WeakPolarHBondContact CA-O 3.45Å; K34-R48 PolarHBondContact N-O 3.29Å; S46-R48 PolarHBondContact O-N 3.43Å
49C81.4Confident76.7Confident11 Ų1168.6 Ų68.67%0.07434%0.343CS..BIsolated β-bridgetrans-66.8146.9162.8-55.70000108.8K34 T53 C65K34-C49 CarbonylContact O-C 3.59Å; K34-C49 WeakPolarHBondContact O-CA 2.95Å; C49-T53 WeakPolarHBondContact CB-OG1 3.14Å; C49-C65 VanDerWaalsContact CA-SG 3.56Å; C49-C65 HydrophobicContact CB-CB 3.57Å; C49-C65 WeakPolarHBondContact CB-SG 3.38Å; C49-C65 WeakPolarHBondContact SG-CA 3.47Å; C49-C65 WeakPolarHBondContact SG-CB 3.4Å; C49-C65 CovalentContact SG-SG 2.02Å; C49-C65 PolarHBondContact SG-SG 2.9Å
50C83.1Confident76.2Confident25 Ų2568.5 Ų68.517%0.16935%0.354CS..SBendtrans-63.4147.8-179-640000111.1C33 K34 T53C33-C50 HydrophobicContact CB-CB 3.83Å; C33-C50 WeakPolarHBondContact CB-SG 3.44Å; C33-C50 PolarHBondContact O-SG 2.82Å; C33-C50 WeakPolarHBondContact SG-CA 3.26Å; C33-C50 WeakPolarHBondContact SG-CB 3.39Å; C33-C50 CovalentContact SG-SG 2.03Å; C33-C50 PolarHBondContact SG-SG 3.23Å; K34-C50 PolarHBondContact O-N 2.03Å; C50-T53 WeakPolarHBondContact O-CB 3.01Å; C50-T53 WeakPolarHBondContact O-CG2 3.43Å; C50-T53 PolarHBondContact O-N 3.33Å; C50-T53 PolarHBondContact O-OG1 3.38Å
51D80.5Confident75.8Confident152 Ų15274.2 Ų74.281%0.81338%0.379SS*.THydrogen-bonded Turntrans65.9-143.4172.1-152.5-92000113.5T53D51-T53 PolarHBondContact O-N 2.93Å
52T80.2Confident76Confident115 Ų11570.5 Ų70.571%0.70637%0.371SS*.THydrogen-bonded Turntrans-8413.9176.867.90000113.5
53T85.4Confident76.9Confident27 Ų2768.2 Ų68.217%0.16636%0.361CS..  trans-78.3155.3-177.564.70000111.9L36 C49 C50 D51 V66L36-T53 HydrophobicContact CD1-CG2 3.97Å; C49-T53 WeakPolarHBondContact CB-OG1 3.14Å; C50-T53 WeakPolarHBondContact O-CB 3.01Å; C50-T53 WeakPolarHBondContact O-CG2 3.43Å; C50-T53 PolarHBondContact O-N 3.33Å; C50-T53 PolarHBondContact O-OG1 3.38Å; D51-T53 PolarHBondContact O-N 2.93Å; T53-V66 CarbonylContact C-O 3.58Å; T53-V66 WeakPolarHBondContact CA-O 3.09Å; T53-V66 VanDerWaalsContact CB-O 3.26Å; T53-V66 WeakPolarHBondContact CB-O 3.24Å
54V86.9Confident78Confident19 Ų1966.6 Ų66.612%0.11535%0.354CS..EExtended strand (participates in β ladder)trans-123.6148.3-172.6-640000110.3D56 V66 L69 E80V54-D56 PolarHBondContact O-N 2.9Å; V54-V66 HydrophobicContact CG2-CG2 3.88Å; V54-V66 PolarHBondContact N-O 2.9Å; V54-V66 PolarHBondContact O-N 3.09Å; V54-L69 HydrophobicContact CG2-CD2 4.03Å; V54-L69 HydrophobicContact CG2-CG 3.78Å; V54-E80 HydrophobicContact CB-CB 4.43Å; V54-E80 HydrophobicContact CG1-CB 3.94Å; V54-E80 HydrophobicContact CG1-CG 3.86Å
55C87.5Confident79.4Confident15 Ų1561.1 Ų61.110%0.10132%0.319CS..EExtended strand (participates in β ladder)trans-85.3107.4178.5-175.10000109.7C40 L57C40-C55 HydrophobicContact CB-CB 3.93Å; C40-C55 WeakPolarHBondContact CB-SG 3.45Å; C40-C55 WeakPolarHBondContact SG-CA 2.98Å; C40-C55 WeakPolarHBondContact SG-CB 3.39Å; C40-C55 CovalentContact SG-SG 2.03Å; C40-C55 PolarHBondContact SG-SG 2.58Å; C55-L57 WeakPolarHBondContact O-CD1 3.23Å; C55-L57 PolarHBondContact O-N 3.37Å
56D89.3Confident81.2Confident11 Ų1156.3 Ų56.36%0.05930%0.301CS..EExtended strand (participates in β ladder)trans-77105.2171.4174.429000109.6V54 K58 G63 T64 V66 L69 R73V54-D56 PolarHBondContact O-N 2.9Å; D56-K58 PolarHBondContact O-N 3.34Å; D56-G63 CarbonylContact O-C 3.15Å; D56-G63 WeakPolarHBondContact O-CA 3.49Å; D56-T64 PolarHBondContact N-O 2.97Å; D56-T64 PolarHBondContact O-N 3.02Å; D56-V66 HydrophobicContact CB-CG1 4.06Å; D56-V66 HydrophobicContact CB-CG2 3.68Å; D56-L69 HydrophobicContact CB-CD2 3.7Å; D56-R73 VanDerWaalsContact CG-NH1 3.28Å; D56-R73 VanDerWaalsContact OD1-CD 3.24Å; D56-R73 WeakPolarHBondContact OD1-CD 3.4Å; D56-R73 IonicContact OD1-CZ 3.6Å; D56-R73 IonicContact OD1-NE 3.65Å; D56-R73 IonicContact OD1-NH1 2.96Å; D56-R73 PolarHBondContact OD1-NH1 2.83Å; D56-R73 IonicContact OD2-CZ 3.24Å; D56-R73 VanDerWaalsContact OD2-CZ 3.24Å; D56-R73 IonicContact OD2-NE 3.76Å; D56-R73 IonicContact OD2-NH1 2.84Å; D56-R73 PolarHBondContact OD2-NH1 3.23Å; D56-R73 IonicContact OD2-NH2 3.81Å
57L85.4Confident82.8Confident34 Ų3464.8 Ų64.818%0.17833%0.33CS..EExtended strand (participates in β ladder)trans-73.5115.5177.7-74.395.2000110.2K42 C55 S62 F74K42-L57 HydrophobicContact CB-CD1 3.9Å; K42-L57 HydrophobicContact CB-CD2 4.02Å; K42-L57 HydrophobicContact CB-CG 4.29Å; K42-L57 HydrophobicContact CD-CD1 3.39Å; K42-L57 HydrophobicContact CG-CD1 4.28Å; C55-L57 WeakPolarHBondContact O-CD1 3.23Å; C55-L57 PolarHBondContact O-N 3.37Å; L57-S62 WeakPolarHBondContact CA-O 3.22Å; L57-F74 HydrophobicContact CD1-CD1 4.26Å
58K82.9Confident84.2Confident138 Ų13865.9 Ų65.960%0.634%0.34SS*.EExtended strand (participates in β ladder)trans-91-22.2169.3-66.4177.7179.5168.30111.5D56 S62 T64D56-K58 PolarHBondContact O-N 3.34Å; K58-S62 PolarHBondContact N-O 3.34Å; K58-T64 PolarHBondContact NZ-OG1 3.3Å
59A78.4Confident85Confident43 Ų4355.9 Ų55.936%0.35530%0.303SS..EExtended strand (participates in β ladder)trans-145.1162.7-177.200000110.3F61 S62A59-F61 PolarHBondContact O-N 2.85Å; A59-F61 VanDerWaalsContact O-N 3.09Å; A59-S62 PolarHBondContact N-O 2.84Å; A59-S62 PolarHBondContact O-N 2.84Å
60P74.3Confident85.4Confident113 Ų11360.7 Ų60.773%0.73433%0.328SS*.THydrogen-bonded Turntrans-53.6120.2173.319.4-30.7000110.5S62P60-S62 PolarHBondContact O-N 3.41Å
61F75.5Confident85.8Confident120 Ų12065.8 Ų65.853%0.52635%0.347SS..THydrogen-bonded Turntrans60.316.7-177.5-46.1-77.5000116.2R41 A59R41-F61 VanDerWaalsContact CA-O 3.23Å; R41-F61 WeakPolarHBondContact CA-O 3.15Å; R41-F61 WeakPolarHBondContact CB-O 3.26Å; R41-F61 VanDerWaalsContact CG-O 3.24Å; R41-F61 WeakPolarHBondContact CG-O 3.41Å; A59-F61 PolarHBondContact O-N 2.85Å; A59-F61 VanDerWaalsContact O-N 3.09Å
62S83.8Confident86.1Confident36 Ų3660.8 Ų60.825%0.25233%0.331SS..EExtended strand (participates in β ladder)trans-141.3131.5-174.81650000111.3F39 L57 K58 A59 P60F39-S62 WeakPolarHBondContact CE2-OG 3.46Å; L57-S62 WeakPolarHBondContact CA-O 3.22Å; K58-S62 PolarHBondContact N-O 3.34Å; A59-S62 PolarHBondContact N-O 2.84Å; A59-S62 PolarHBondContact O-N 2.84Å; P60-S62 PolarHBondContact O-N 3.41Å
63G88.8Confident86.5Confident2 Ų259.4 Ų59.42%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-162.7-170.4-170.800000114.5F39 C40 D56F39-G63 WeakPolarHBondContact CA-O 2.9Å; C40-G63 PolarHBondContact N-O 3.1Å; C40-G63 PolarHBondContact O-N 3.49Å; D56-G63 CarbonylContact O-C 3.15Å; D56-G63 WeakPolarHBondContact O-CA 3.49Å
64T90Very high86.6Confident29 Ų2962.1 Ų62.118%0.17832%0.323CS..EExtended strand (participates in β ladder)trans-129.6141177-49.90000110.3G37 T38 C40 D56 K58 V66G37-T64 WeakPolarHBondContact O-CG2 3.49Å; T38-T64 WeakPolarHBondContact O-CA 3.39Å; C40-T64 PolarHBondContact SG-N 3.44Å; D56-T64 PolarHBondContact N-O 2.97Å; D56-T64 PolarHBondContact O-N 3.02Å; K58-T64 PolarHBondContact NZ-OG1 3.3Å; T64-V66 PolarHBondContact O-N 2.96Å
65C89.7Confident86.6Confident0 Ų061.2 Ų61.20%032%0.317CS..EExtended strand (participates in β ladder)trans-69.9119.3174.1-670000110.8N35 G37 T38 C49N35-C65 WeakPolarHBondContact O-CB 2.94Å; G37-C65 PolarHBondContact N-O 3.03Å; T38-C65 PolarHBondContact O-N 3.2Å; C49-C65 VanDerWaalsContact CA-SG 3.56Å; C49-C65 HydrophobicContact CB-CB 3.57Å; C49-C65 WeakPolarHBondContact CB-SG 3.38Å; C49-C65 WeakPolarHBondContact SG-CA 3.47Å; C49-C65 WeakPolarHBondContact SG-CB 3.4Å; C49-C65 CovalentContact SG-SG 2.02Å; C49-C65 PolarHBondContact SG-SG 2.9Å
66V91Very high86.6Confident37 Ų3765.1 Ų65.122%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-126.9160.5178.3-61.30000110.4T53 V54 D56 T64 C68 L69T53-V66 CarbonylContact C-O 3.58Å; T53-V66 WeakPolarHBondContact CA-O 3.09Å; T53-V66 VanDerWaalsContact CB-O 3.26Å; T53-V66 WeakPolarHBondContact CB-O 3.24Å; V54-V66 HydrophobicContact CG2-CG2 3.88Å; V54-V66 PolarHBondContact N-O 2.9Å; V54-V66 PolarHBondContact O-N 3.09Å; D56-V66 HydrophobicContact CB-CG1 4.06Å; D56-V66 HydrophobicContact CB-CG2 3.68Å; T64-V66 PolarHBondContact O-N 2.96Å; V66-C68 VanDerWaalsContact CG2-O 3.22Å; V66-C68 WeakPolarHBondContact CG2-O 3.49Å; V66-L69 HydrophobicContact CG2-CD2 4.21Å
67R90.2Very high86.4Confident194 Ų19471.9 Ų71.973%0.73236%0.361SS*.SBendtrans-68.2-40.3179.8-65.6-173.7180-170-1.2112.1L36L36-R67 HydrophobicContact CD1-CG 3.68Å; L36-R67 HydrophobicContact CD2-CG 4.08Å
68C90.3Very high86.5Confident52 Ų5272.8 Ų72.835%0.35137%0.371SS..SBendtrans-151.4157.1175.860.30000109.3V66 C82V66-C68 VanDerWaalsContact CG2-O 3.22Å; V66-C68 WeakPolarHBondContact CG2-O 3.49Å; C68-C82 VanDerWaalsContact C-SG 3.56Å; C68-C82 HydrophobicContact CB-CB 3.87Å; C68-C82 WeakPolarHBondContact CB-SG 3.31Å; C68-C82 WeakPolarHBondContact SG-CB 3.34Å; C68-C82 CovalentContact SG-SG 2.03Å; C68-C82 PolarHBondContact SG-SG 2.92Å
69L90.6Very high86.6Confident1 Ų175.2 Ų75.21%0.00538%0.376CS..BIsolated β-bridgetrans-82.6130.4179-65.2175.1000110.5V54 D56 V66 R73 F74 C75 E80 C82 C91V54-L69 HydrophobicContact CG2-CD2 4.03Å; V54-L69 HydrophobicContact CG2-CG 3.78Å; D56-L69 HydrophobicContact CB-CD2 3.7Å; V66-L69 HydrophobicContact CG2-CD2 4.21Å; L69-R73 HydrophobicContact CB-CB 4.03Å; L69-R73 HydrophobicContact CD2-CB 4.24Å; L69-F74 VanDerWaalsContact CD1-O 3.23Å; L69-F74 WeakPolarHBondContact CD1-O 3.11Å; L69-C75 HydrophobicContact CD1-CB 3.83Å; L69-E80 WeakPolarHBondContact CB-O 3.01Å; L69-E80 HydrophobicContact CD1-CB 3.64Å; L69-E80 HydrophobicContact CG-CB 4.24Å; L69-E80 PolarHBondContact N-O 2.85Å; L69-C82 PolarHBondContact O-N 2.96Å; L69-C82 PolarHBondContact O-SG 3.17Å; L69-C82 VanDerWaalsContact O-SG 3.33Å; L69-C91 WeakPolarHBondContact CB-SG 3.02Å
70D89.9Confident87Confident112 Ų11274.4 Ų74.460%0.59937%0.365SS*.PPolyproline II helixtrans-72.1168176.5-129.8-65.4000112.6G72 R73 C91D70-G72 PolarHBondContact O-N 3.16Å; D70-R73 HydrophobicContact CB-CG 4.05Å; D70-R73 VanDerWaalsContact O-CB 3.29Å; D70-R73 WeakPolarHBondContact O-CB 3.44Å; D70-R73 VanDerWaalsContact O-CG 3.27Å; D70-R73 WeakPolarHBondContact O-CG 3.23Å; D70-R73 PolarHBondContact O-N 3.33Å; D70-C91 VanDerWaalsContact O-CB 3.29Å; D70-C91 WeakPolarHBondContact O-CB 3.5Å
71K90.6Very high87.7Confident132 Ų13269.2 Ų69.257%0.57433%0.331SS*.THydrogen-bonded Turntrans-61.1136.6179.5-65-170.5-179.9-136.50110.9R73 R92K71-R73 VanDerWaalsContact C-N 3.32Å; K71-R73 PolarHBondContact O-N 2.81Å; K71-R92 WeakPolarHBondContact CD-OXT 3.33Å; K71-R92 VanDerWaalsContact CE-OXT 3.26Å; K71-R92 WeakPolarHBondContact CE-OXT 3.39Å; K71-R92 PolarHBondContact NZ-OXT 2.96Å
72G87.8Confident88.4Confident47 Ų4766.7 Ų66.749%0.48533%0.328SS..THydrogen-bonded Turntrans84.1-7.2-17700000115.6D70 C91D70-G72 PolarHBondContact O-N 3.16Å; G72-C91 PolarHBondContact N-O 2.03Å
73R88.5Confident88.8Confident86 Ų8669.7 Ų69.733%0.32534%0.341SS..  trans-76.5152.3178.2-62-53.2-173.2138.3-9.1112.7D56 L69 D70 K71 C75 K90 C91D56-R73 VanDerWaalsContact CG-NH1 3.28Å; D56-R73 VanDerWaalsContact OD1-CD 3.24Å; D56-R73 WeakPolarHBondContact OD1-CD 3.4Å; D56-R73 IonicContact OD1-CZ 3.6Å; D56-R73 IonicContact OD1-NE 3.65Å; D56-R73 IonicContact OD1-NH1 2.96Å; D56-R73 PolarHBondContact OD1-NH1 2.83Å; D56-R73 IonicContact OD2-CZ 3.24Å; D56-R73 VanDerWaalsContact OD2-CZ 3.24Å; D56-R73 IonicContact OD2-NE 3.76Å; D56-R73 IonicContact OD2-NH1 2.84Å; D56-R73 PolarHBondContact OD2-NH1 3.23Å; D56-R73 IonicContact OD2-NH2 3.81Å; L69-R73 HydrophobicContact CB-CB 4.03Å; L69-R73 HydrophobicContact CD2-CB 4.24Å; D70-R73 HydrophobicContact CB-CG 4.05Å; D70-R73 VanDerWaalsContact O-CB 3.29Å; D70-R73 WeakPolarHBondContact O-CB 3.44Å; D70-R73 VanDerWaalsContact O-CG 3.27Å; D70-R73 WeakPolarHBondContact O-CG 3.23Å; D70-R73 PolarHBondContact O-N 3.33Å; K71-R73 VanDerWaalsContact C-N 3.32Å; K71-R73 PolarHBondContact O-N 2.81Å; R73-C75 PolarHBondContact O-N 2.96Å; R73-K90 CarbonylContact O-C 3.42Å; R73-K90 VanDerWaalsContact O-CA 3.27Å; R73-K90 WeakPolarHBondContact O-CA 3.33Å; R73-C91 PolarHBondContact O-N 2.77Å
74F87.5Confident88.8Confident84 Ų8477.3 Ų77.337%0.36837%0.374SS..BIsolated β-bridgetrans-70.7119-177.8-180-93.7000111.7L57 L69 L76 F89L57-F74 HydrophobicContact CD1-CD1 4.26Å; L69-F74 VanDerWaalsContact CD1-O 3.23Å; L69-F74 WeakPolarHBondContact CD1-O 3.11Å; F74-L76 HydrophobicContact CE1-CD2 3.84Å; F74-L76 HydrophobicContact CE1-CG 3.94Å; F74-L76 HydrophobicContact CZ-CD2 3.74Å; F74-L76 HydrophobicContact CZ-CG 4.36Å; F74-F89 CarbonylContact C-O 3.55Å; F74-F89 VanDerWaalsContact CA-O 3.23Å; F74-F89 WeakPolarHBondContact CA-O 3.05Å; F74-F89 HydrophobicContact CD2-CB 3.86Å; F74-F89 WeakPolarHBondContact CD2-O 3.46Å; F74-F89 HydrophobicContact CE2-CB 3.56Å; F74-F89 AromaticContact CE2-CD1 3.99Å; F74-F89 HydrophobicContact CE2-CD1 3.99Å; F74-F89 AromaticContact CE2-CG 3.99Å; F74-F89 HydrophobicContact CE2-CG 3.99Å; F74-F89 HydrophobicContact CZ-CB 4.39Å; F74-F89 HydrophobicContact CZ-CD1 4.05Å
75C87.7Confident88.9Confident0 Ų081.1 Ų81.10%039%0.385CS..  trans-122.5148.2178.6560000111.1L69 R73 C81 C86 F89 K90 C91L69-C75 HydrophobicContact CD1-CB 3.83Å; R73-C75 PolarHBondContact O-N 2.96Å; C75-C81 VanDerWaalsContact CB-SG 3.58Å; C75-C81 VanDerWaalsContact SG-SG 3.65Å; C75-C86 HydrophobicContact CB-CB 3.83Å; C75-C86 WeakPolarHBondContact CB-SG 3.24Å; C75-C86 PolarHBondContact O-SG 2.95Å; C75-C86 WeakPolarHBondContact SG-CA 3.29Å; C75-C86 WeakPolarHBondContact SG-CB 3.41Å; C75-C86 CovalentContact SG-SG 2.02Å; C75-C86 PolarHBondContact SG-SG 3.19Å; C75-F89 PolarHBondContact N-O 3.07Å; C75-F89 CarbonylContact O-C 3.57Å; C75-F89 VanDerWaalsContact O-CA 3.31Å; C75-F89 WeakPolarHBondContact O-CA 3.27Å; C75-F89 VanDerWaalsContact SG-C 3.56Å; C75-K90 VanDerWaalsContact SG-CA 3.56Å; C75-K90 PolarHBondContact SG-N 3.04Å; C75-K90 VanDerWaalsContact SG-N 3.41Å; C75-K90 PolarHBondContact SG-O 3.42Å; C75-K90 VanDerWaalsContact SG-O 3.41Å; C75-C91 PolarHBondContact SG-N 3.31Å
76L85.7Confident89Confident96 Ų9682.3 Ų82.350%0.50339%0.393SS..SBendtrans-106.3-31.1168.6-67.9176.5000111.1K42 F74 E80 F89K42-L76 VanDerWaalsContact CE-CD1 3.47Å; F74-L76 HydrophobicContact CE1-CD2 3.84Å; F74-L76 HydrophobicContact CE1-CG 3.94Å; F74-L76 HydrophobicContact CZ-CD2 3.74Å; F74-L76 HydrophobicContact CZ-CG 4.36Å; L76-E80 PolarHBondContact N-OE2 3.41Å; L76-F89 HydrophobicContact CD2-CD1 3.9Å; L76-F89 HydrophobicContact CD2-CE1 3.9Å
77R85Confident89Confident153 Ų15385.5 Ų85.558%0.57740%0.404SS*.SBendtrans-125.7140.4177.9-62.9-177.5176.5-174-1.5110R79 E80R77-R79 HydrophobicContact CB-CG 4.04Å; R77-R79 VanDerWaalsContact NH1-NH2 3.16Å; R77-R79 PolarHBondContact O-N 2.93Å; R77-E80 HydrophobicContact CB-CG 4.26Å; R77-E80 PolarHBondContact N-OE2 3.41Å; R77-E80 WeakPolarHBondContact O-CB 3Å; R77-E80 PolarHBondContact O-N 2.03Å
78S88.2Confident89Confident54 Ų5484.6 Ų84.638%0.37841%0.406SS..G310 helixtrans-57.1-36.5-179.9-41.70000112.7E80 C81 K84 C86S78-E80 PolarHBondContact O-N 3.26Å; S78-C81 WeakPolarHBondContact O-CB 3.12Å; S78-C81 PolarHBondContact O-N 3.03Å; S78-K84 WeakPolarHBondContact CB-O 3.27Å; S78-K84 CarbonylContact O-C 3.57Å; S78-K84 WeakPolarHBondContact O-CA 3.46Å; S78-C86 VanDerWaalsContact CA-CB 3.49Å
79R86.2Confident88.9Confident188 Ų18887.9 Ų87.971%0.70942%0.415SS*.G310 helixtrans-60.6-15.4175.172.9179.2-171.9163.95.1115.6R77 C81R77-R79 HydrophobicContact CB-CG 4.04Å; R77-R79 VanDerWaalsContact NH1-NH2 3.16Å; R77-R79 PolarHBondContact O-N 2.93Å; R79-C81 VanDerWaalsContact C-N 3.33Å
80E85.5Confident88.9Confident27 Ų2793.8 Ų93.813%0.12644%0.44CS..G310 helixtrans-76.7-25.5176.2-61.5-179.1104.800111.4K42 V54 L69 L76 R77 S78K42-E80 IonicContact NZ-OE1 3.16Å; K42-E80 PolarHBondContact NZ-OE1 2.02Å; K42-E80 VanDerWaalsContact NZ-OE1 3.16Å; K42-E80 IonicContact NZ-OE2 3.74Å; V54-E80 HydrophobicContact CB-CB 4.43Å; V54-E80 HydrophobicContact CG1-CB 3.94Å; V54-E80 HydrophobicContact CG1-CG 3.86Å; L69-E80 WeakPolarHBondContact CB-O 3.01Å; L69-E80 HydrophobicContact CD1-CB 3.64Å; L69-E80 HydrophobicContact CG-CB 4.24Å; L69-E80 PolarHBondContact N-O 2.85Å; L76-E80 PolarHBondContact N-OE2 3.41Å; R77-E80 HydrophobicContact CB-CG 4.26Å; R77-E80 PolarHBondContact N-OE2 3.41Å; R77-E80 WeakPolarHBondContact O-CB 3Å; R77-E80 PolarHBondContact O-N 2.03Å; S78-E80 PolarHBondContact O-N 3.26Å
81C89Confident88.9Confident4 Ų488.8 Ų88.83%0.02741%0.414CS..BIsolated β-bridgetrans-79.6145.4179.6-55.70000111.5C75 S78 R79 D83 K84 Y85 C91C75-C81 VanDerWaalsContact CB-SG 3.58Å; C75-C81 VanDerWaalsContact SG-SG 3.65Å; S78-C81 WeakPolarHBondContact O-CB 3.12Å; S78-C81 PolarHBondContact O-N 3.03Å; R79-C81 VanDerWaalsContact C-N 3.33Å; C81-D83 PolarHBondContact O-N 3.48Å; C81-K84 WeakPolarHBondContact O-CA 3.29Å; C81-K84 PolarHBondContact O-N 3.31Å; C81-Y85 PolarHBondContact SG-O 3.3Å; C81-C91 WeakPolarHBondContact CA-SG 3.37Å; C81-C91 HydrophobicContact CB-CB 3.63Å; C81-C91 WeakPolarHBondContact CB-SG 3.26Å; C81-C91 WeakPolarHBondContact SG-CA 2.93Å; C81-C91 WeakPolarHBondContact SG-CB 3.46Å; C81-C91 CovalentContact SG-SG 2.03Å; C81-C91 PolarHBondContact SG-SG 3.16Å
82C91.2Very high88.7Confident66 Ų6690.5 Ų90.545%0.44642%0.417SS..THydrogen-bonded Turntrans-60.5-34.2174.5-53.80000111.8C68 L69 K84C68-C82 VanDerWaalsContact C-SG 3.56Å; C68-C82 HydrophobicContact CB-CB 3.87Å; C68-C82 WeakPolarHBondContact CB-SG 3.31Å; C68-C82 WeakPolarHBondContact SG-CB 3.34Å; C68-C82 CovalentContact SG-SG 2.03Å; C68-C82 PolarHBondContact SG-SG 2.92Å; L69-C82 PolarHBondContact O-N 2.96Å; L69-C82 PolarHBondContact O-SG 3.17Å; L69-C82 VanDerWaalsContact O-SG 3.33Å; C82-K84 PolarHBondContact O-N 3.34Å
83D90.9Very high88.8Confident99 Ų9992.7 Ų92.753%0.52941%0.414SS..THydrogen-bonded Turntrans-79.2-4.2175-149.8-97.5000113.3C81 Y85 R92C81-D83 PolarHBondContact O-N 3.48Å; D83-Y85 PolarHBondContact O-N 3.43Å; D83-R92 WeakPolarHBondContact CB-O 3.07Å
84K90.2Very high88.8Confident163 Ų16393.1 Ų93.171%0.70942%0.418SS*.SBendtrans56.125.2-171.3-58178.9-176.6173.70114.1S78 C81 C82S78-K84 WeakPolarHBondContact CB-O 3.27Å; S78-K84 CarbonylContact O-C 3.57Å; S78-K84 WeakPolarHBondContact O-CA 3.46Å; C81-K84 WeakPolarHBondContact O-CA 3.29Å; C81-K84 PolarHBondContact O-N 3.31Å; C82-K84 PolarHBondContact O-N 3.34Å
85Y92.3Very high88.9Confident108 Ų10893.6 Ų93.642%0.42442%0.421SS..  trans-128.1116.3-179.5-172-113.4000111.6C81 D83 F87 C91 R92C81-Y85 PolarHBondContact SG-O 3.3Å; D83-Y85 PolarHBondContact O-N 3.43Å; Y85-F87 HydrophobicContact CD1-CB 4.41Å; Y85-F87 HydrophobicContact CE1-CB 3.69Å; Y85-F87 HydrophobicContact CE1-CG 4.38Å; Y85-F87 WeakPolarHBondContact OH-CD2 3.44Å; Y85-C91 WeakPolarHBondContact O-CA 3.23Å; Y85-R92 HydrophobicContact CD1-CB 3.9Å; Y85-R92 HydrophobicContact CE1-CB 4.2Å; Y85-R92 PolarHBondContact O-N 2.79Å
86C90.7Very high88.9Confident25 Ų2599.1 Ų99.117%0.16945%0.446CS..EExtended strand (participates in β ladder)trans-115116.3176.7-1780000108.8C75 S78C75-C86 HydrophobicContact CB-CB 3.83Å; C75-C86 WeakPolarHBondContact CB-SG 3.24Å; C75-C86 PolarHBondContact O-SG 2.95Å; C75-C86 WeakPolarHBondContact SG-CA 3.29Å; C75-C86 WeakPolarHBondContact SG-CB 3.41Å; C75-C86 CovalentContact SG-SG 2.02Å; C75-C86 PolarHBondContact SG-SG 3.19Å; S78-C86 VanDerWaalsContact CA-CB 3.49Å
87F92Very high89.1Confident104 Ų10499.3 Ų99.346%0.45644%0.442SS..EExtended strand (participates in β ladder)trans-124.5126.8179.7-173.6-98.2000109.8Y85 F89 K90Y85-F87 HydrophobicContact CD1-CB 4.41Å; Y85-F87 HydrophobicContact CE1-CB 3.69Å; Y85-F87 HydrophobicContact CE1-CG 4.38Å; Y85-F87 WeakPolarHBondContact OH-CD2 3.44Å; F87-F89 VanDerWaalsContact C-N 3.3Å; F87-F89 PolarHBondContact O-N 3.28Å; F87-K90 PolarHBondContact N-O 3.19Å; F87-K90 PolarHBondContact O-N 3.32Å
88F90.4Very high89.4Confident176 Ų17695.7 Ų95.777%0.77243%0.433SS*.THydrogen-bonded Turntrans53.346179.4-151.3-96.4000113.1K90F88-K90 PolarHBondContact O-N 2.83Å; F88-K90 VanDerWaalsContact O-N 3.16Å
89F87.4Confident89.5Confident120 Ų12098.6 Ų98.653%0.52644%0.437SS..THydrogen-bonded Turntrans59.617.8-175-57.8-80000115.5F74 C75 L76 F87F74-F89 CarbonylContact C-O 3.55Å; F74-F89 VanDerWaalsContact CA-O 3.23Å; F74-F89 WeakPolarHBondContact CA-O 3.05Å; F74-F89 HydrophobicContact CD2-CB 3.86Å; F74-F89 WeakPolarHBondContact CD2-O 3.46Å; F74-F89 HydrophobicContact CE2-CB 3.56Å; F74-F89 AromaticContact CE2-CD1 3.99Å; F74-F89 HydrophobicContact CE2-CD1 3.99Å; F74-F89 AromaticContact CE2-CG 3.99Å; F74-F89 HydrophobicContact CE2-CG 3.99Å; F74-F89 HydrophobicContact CZ-CB 4.39Å; F74-F89 HydrophobicContact CZ-CD1 4.05Å; C75-F89 PolarHBondContact N-O 3.07Å; C75-F89 CarbonylContact O-C 3.57Å; C75-F89 VanDerWaalsContact O-CA 3.31Å; C75-F89 WeakPolarHBondContact O-CA 3.27Å; C75-F89 VanDerWaalsContact SG-C 3.56Å; L76-F89 HydrophobicContact CD2-CD1 3.9Å; L76-F89 HydrophobicContact CD2-CE1 3.9Å; F87-F89 VanDerWaalsContact C-N 3.3Å; F87-F89 PolarHBondContact O-N 3.28Å
90K89.3Confident89.8Confident126 Ų12691.8 Ų91.855%0.54842%0.416SS..EExtended strand (participates in β ladder)trans-128.5140.6176.4-68.8-176.6178.6-179.60111.8R73 C75 F87 F88R73-K90 CarbonylContact O-C 3.42Å; R73-K90 VanDerWaalsContact O-CA 3.27Å; R73-K90 WeakPolarHBondContact O-CA 3.33Å; C75-K90 VanDerWaalsContact SG-CA 3.56Å; C75-K90 PolarHBondContact SG-N 3.04Å; C75-K90 VanDerWaalsContact SG-N 3.41Å; C75-K90 PolarHBondContact SG-O 3.42Å; C75-K90 VanDerWaalsContact SG-O 3.41Å; F87-K90 PolarHBondContact N-O 3.19Å; F87-K90 PolarHBondContact O-N 3.32Å; F88-K90 PolarHBondContact O-N 2.83Å; F88-K90 VanDerWaalsContact O-N 3.16Å
91C90Very high90.1Very high6 Ų697.2 Ų97.24%0.04144%0.44CS..EExtended strand (participates in β ladder)trans-69138.8170.6-650000109.8L69 D70 G72 R73 C75 C81 Y85L69-C91 WeakPolarHBondContact CB-SG 3.02Å; D70-C91 VanDerWaalsContact O-CB 3.29Å; D70-C91 WeakPolarHBondContact O-CB 3.5Å; G72-C91 PolarHBondContact N-O 2.03Å; R73-C91 PolarHBondContact O-N 2.77Å; C75-C91 PolarHBondContact SG-N 3.31Å; C81-C91 WeakPolarHBondContact CA-SG 3.37Å; C81-C91 HydrophobicContact CB-CB 3.63Å; C81-C91 WeakPolarHBondContact CB-SG 3.26Å; C81-C91 WeakPolarHBondContact SG-CA 2.93Å; C81-C91 WeakPolarHBondContact SG-CB 3.46Å; C81-C91 CovalentContact SG-SG 2.03Å; C81-C91 PolarHBondContact SG-SG 3.16Å; Y85-C91 WeakPolarHBondContact O-CA 3.23Å
92R88.1Confident90.2Very high169 Ų169105.6 Ų105.664%0.63848%0.478SS*.  trans-1320-179.8-177172.8-166.2165.93.8110.8K71 D83 Y85K71-R92 WeakPolarHBondContact CD-OXT 3.33Å; K71-R92 VanDerWaalsContact CE-OXT 3.26Å; K71-R92 WeakPolarHBondContact CE-OXT 3.39Å; K71-R92 PolarHBondContact NZ-OXT 2.96Å; D83-R92 WeakPolarHBondContact CB-O 3.07Å; Y85-R92 HydrophobicContact CD1-CB 3.9Å; Y85-R92 HydrophobicContact CE1-CB 4.2Å; Y85-R92 PolarHBondContact O-N 2.79Å

Retrieved 92 of 92 residues in 28.6 ms (Link to these results)