A0A3Q0KK31_SCHMA Loading...

60S ribosomal protein L37a

AlphaFold DB , UniProt , Accession A0A3Q0KK31, 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
1M72.3Confident92.7Very high250 Ų250120.2 Ų120.2100%1.23260%0.595SS**  0122.80-79.8-174.3-88.300109.3
2A92Very high92.9Very high94 Ų94113.1 Ų113.178%0.77758%0.576SS**  trans-80145.6178.800000112.1R4A2-R4 PolarHBondContact O-N 2.99Å; A2-R4 VanDerWaalsContact O-N 3.16Å
3K92.4Very high93.2Very high175 Ų175113.7 Ų113.776%0.76157%0.572SS**  trans-68.8108.8174.7-177.3178.7-178.91760109.8T5K3-T5 WeakPolarHBondContact CE-O 3.5Å
4R94.4Very high93.5Very high246 Ų246109.3 Ų109.393%0.92855%0.546SS*.  trans-76.5-25.2-175.5-61-176.1-177.9178-0.9114.9A2A2-R4 PolarHBondContact O-N 2.99Å; A2-R4 VanDerWaalsContact O-N 3.16Å
5T95Very high93.6Very high53 Ų53104.6 Ų104.633%0.32554%0.536SS..  trans-138.8139.4-175.270.90000111.7K3 V8 G9K3-T5 WeakPolarHBondContact CE-O 3.5Å; T5-V8 HydrophobicContact CG2-CG2 3.62Å; T5-G9 WeakPolarHBondContact OG1-CA 3.29Å; T5-G9 PolarHBondContact OG1-N 2.76Å
6K94.5Very high93.7Very high189 Ų189106.8 Ų106.882%0.82256%0.555SS**SBendtrans-76.8-48.1178.6-167.4173.6-175.8172.70112.2
7K94.6Very high94Very high168 Ų168109.1 Ų109.173%0.7356%0.555SS**SBendtrans-122.5-35.4-172.2-64.1-179-179.9177.30114.6K27K7-K27 PolarHBondContact O-NZ 2.78Å
8V95.3Very high94.1Very high48 Ų48110.6 Ų110.629%0.29155%0.554SS.*  trans-75.4-47-165.7-64.80000113.6T5 I10 V11 K27T5-V8 HydrophobicContact CG2-CG2 3.62Å; V8-I10 PolarHBondContact O-N 3.19Å; V8-V11 HydrophobicContact CB-CG2 4.33Å; V8-V11 WeakPolarHBondContact O-CG2 3.3Å; V8-K27 WeakPolarHBondContact O-CD 3.19Å; V8-K27 WeakPolarHBondContact O-CE 3.39Å
9G95.7Very high94.2Very high33 Ų33106.6 Ų106.634%0.3454%0.544SS..G310 helixtrans60.5-135.2-175.300000112.1T5 V11 G12T5-G9 WeakPolarHBondContact OG1-CA 3.29Å; T5-G9 PolarHBondContact OG1-N 2.76Å; G9-V11 PolarHBondContact O-N 3.06Å; G9-G12 PolarHBondContact O-N 3.3Å
10I96.1Very high94.3Very high63 Ų63104.1 Ų104.132%0.32354%0.54SS..G310 helixtrans-58.5-30.1-174.3-166.7161.8000114.4V8 G12 K27 E30 I31 H34V8-I10 PolarHBondContact O-N 3.19Å; I10-G12 PolarHBondContact O-N 2.97Å; I10-G12 VanDerWaalsContact O-N 3.15Å; I10-K27 HydrophobicContact CG2-CG 4.37Å; I10-E30 HydrophobicContact CD1-CB 4.19Å; I10-E30 HydrophobicContact CG2-CB 3.84Å; I10-I31 HydrophobicContact CG2-CG1 4.12Å; I10-H34 WeakPolarHBondContact CD1-ND1 3.4Å
11V97.1Very high94.5Very high3 Ų3103.1 Ų103.12%0.01854%0.542CS..G310 helixtrans-75.93.5177.4-63.70000113.5V8 G9 K13 Y14 R23 I26 K27V8-V11 HydrophobicContact CB-CG2 4.33Å; V8-V11 WeakPolarHBondContact O-CG2 3.3Å; G9-V11 PolarHBondContact O-N 3.06Å; V11-K13 PolarHBondContact O-N 2.92Å; V11-Y14 HydrophobicContact CB-CD2 3.87Å; V11-Y14 HydrophobicContact CB-CE2 4.28Å; V11-Y14 HydrophobicContact CG1-CD2 4.13Å; V11-Y14 HydrophobicContact CG1-CE2 4.05Å; V11-Y14 PolarHBondContact O-N 2.79Å; V11-R23 HydrophobicContact CB-CB 4.46Å; V11-R23 HydrophobicContact CG2-CB 4.27Å; V11-I26 HydrophobicContact CG1-CG2 4.16Å; V11-K27 HydrophobicContact CG1-CB 3.65Å; V11-K27 HydrophobicContact CG1-CG 4.33Å; V11-K27 HydrophobicContact CG2-CB 4.02Å; V11-K27 HydrophobicContact CG2-CD 4.27Å; V11-K27 HydrophobicContact CG2-CG 4.28Å
12G95.8Very high95.7Very high35 Ų3596 Ų9636%0.36151%0.508SS..G310 helixtrans-57.2-28.3170.700000113.1G9 I10 Y14 G15G9-G12 PolarHBondContact O-N 3.3Å; I10-G12 PolarHBondContact O-N 2.97Å; I10-G12 VanDerWaalsContact O-N 3.15Å; G12-Y14 PolarHBondContact O-N 2.88Å; G12-Y14 VanDerWaalsContact O-N 3.15Å; G12-G15 PolarHBondContact O-N 2.98Å
13K96.8Very high95.9Very high121 Ų12194 Ų9453%0.52648%0.481SS..G310 helixtrans-59.2-23.5175.968.6-177.5-179.2173.80114.5V11 G15 E30V11-K13 PolarHBondContact O-N 2.92Å; K13-G15 VanDerWaalsContact C-N 3.34Å; K13-E30 WeakPolarHBondContact CE-OE1 3.35Å; K13-E30 WeakPolarHBondContact CE-OE2 3.46Å; K13-E30 IonicContact NZ-OE1 2.6Å; K13-E30 PolarHBondContact NZ-OE1 2.96Å; K13-E30 IonicContact NZ-OE2 3.6Å
14Y96.9Very high96.2Very high52 Ų5292.7 Ų92.720%0.20448%0.475CS..G310 helixtrans-83-13.5179.3-61.7-60.3000113.2V11 G12 R17 Y18 I26 E30V11-Y14 HydrophobicContact CB-CD2 3.87Å; V11-Y14 HydrophobicContact CB-CE2 4.28Å; V11-Y14 HydrophobicContact CG1-CD2 4.13Å; V11-Y14 HydrophobicContact CG1-CE2 4.05Å; V11-Y14 PolarHBondContact O-N 2.79Å; G12-Y14 PolarHBondContact O-N 2.88Å; G12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-R17 PolarHBondContact O-N 3.2Å; Y14-R17 PolarHBondContact O-NE 3.4Å; Y14-Y18 HydrophobicContact CD1-CD2 4.11Å; Y14-Y18 AromaticContact CD1-CE2 3.63Å; Y14-Y18 HydrophobicContact CD1-CE2 3.63Å; Y14-Y18 HydrophobicContact CE1-CE2 4.43Å; Y14-Y18 HydrophobicContact CG-CD2 4.17Å; Y14-Y18 HydrophobicContact CG-CE2 4.1Å; Y14-I26 HydrophobicContact CE2-CG2 3.86Å; Y14-E30 PolarHBondContact OH-OE1 3.18Å; Y14-E30 VanDerWaalsContact OH-OE1 3.07Å
15G94.9Very high96.3Very high39 Ų3984.9 Ų84.940%0.40246%0.455SS..THydrogen-bonded Turntrans62.3-132.1-177.800000112.2G12 K13 R23G12-G15 PolarHBondContact O-N 2.98Å; K13-G15 VanDerWaalsContact C-N 3.34Å; G15-R23 PolarHBondContact O-NH1 3.49Å
16V95.9Very high96.4Very high139 Ų13985.4 Ų85.484%0.84246%0.455SS*.THydrogen-bonded Turntrans-83.2-10.5-179.5-620000114
17R97.7Very high96.6Very high146 Ų14679.5 Ų79.555%0.55143%0.429SS*.THydrogen-bonded Turntrans-72.6160.8-171.6-62.2177.2-70.7-160.30.7113.2Y14 G19Y14-R17 PolarHBondContact O-N 3.2Å; Y14-R17 PolarHBondContact O-NE 3.4Å; R17-G19 PolarHBondContact O-N 2.98Å; R17-G19 VanDerWaalsContact O-N 3.14Å
18Y97Very high96.7Very high137 Ų13779.4 Ų79.454%0.53743%0.429SS..THydrogen-bonded Turntrans68.8-3170.8-39.2-67.8000117.3Y14 L22Y14-Y18 HydrophobicContact CD1-CD2 4.11Å; Y14-Y18 AromaticContact CD1-CE2 3.63Å; Y14-Y18 HydrophobicContact CD1-CE2 3.63Å; Y14-Y18 HydrophobicContact CE1-CE2 4.43Å; Y14-Y18 HydrophobicContact CG-CD2 4.17Å; Y14-Y18 HydrophobicContact CG-CE2 4.1Å; Y18-L22 WeakPolarHBondContact O-CD1 3.46Å
19G96Very high96.7Very high35 Ų3579.7 Ų79.736%0.36143%0.428SS..  trans79.8169.7178.700000114.5R17 R23R17-G19 PolarHBondContact O-N 2.98Å; R17-G19 VanDerWaalsContact O-N 3.14Å; G19-R23 WeakPolarHBondContact O-CG 3.34Å; G19-R23 PolarHBondContact O-NE 3.11Å
20A96Very high96.8Very high56 Ų5678.6 Ų78.646%0.46341%0.414SS..Hα-helixtrans-79.6-36.8-171.500000113.6K24A20-K24 VanDerWaalsContact O-CG 3.32Å; A20-K24 WeakPolarHBondContact O-CG 3.44Å; A20-K24 PolarHBondContact O-N 2.78Å
21S97.3Very high96.8Very high84 Ų8480 Ų8059%0.58742%0.421SS*.Hα-helixtrans-62-53.3-179.850.50000111.2R23 K24 T25S21-R23 VanDerWaalsContact C-N 3.34Å; S21-R23 PolarHBondContact O-N 3.2Å; S21-K24 WeakPolarHBondContact O-CB 3.37Å; S21-K24 PolarHBondContact O-N 3.01Å; S21-K24 VanDerWaalsContact O-N 3.11Å; S21-T25 PolarHBondContact O-N 3.33Å; S21-T25 VanDerWaalsContact O-N 3.11Å; S21-T25 PolarHBondContact O-OG1 3.02Å
22L97.4Very high96.7Very high99 Ų9980.9 Ų80.952%0.51843%0.428SS..Hα-helixtrans-60.1-43179.2-60.5-174.1000111.7Y18 K24 T25 I26Y18-L22 WeakPolarHBondContact O-CD1 3.46Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.37Å; L22-T25 PolarHBondContact O-N 3.03Å; L22-I26 PolarHBondContact O-N 3.07Å
23R97.3Very high96.8Very high53 Ų5380.5 Ų80.520%0.242%0.416CS..Hα-helixtrans-63.7-35.7176-73.8-173.3-62.7156.70.2112.8V11 G15 G19 S21 K27V11-R23 HydrophobicContact CB-CB 4.46Å; V11-R23 HydrophobicContact CG2-CB 4.27Å; G15-R23 PolarHBondContact O-NH1 3.49Å; G19-R23 WeakPolarHBondContact O-CG 3.34Å; G19-R23 PolarHBondContact O-NE 3.11Å; S21-R23 VanDerWaalsContact C-N 3.34Å; S21-R23 PolarHBondContact O-N 3.2Å; R23-K27 WeakPolarHBondContact O-CB 3.44Å; R23-K27 PolarHBondContact O-N 3.28Å
24K97.3Very high96.7Very high148 Ų14879.8 Ų79.864%0.64342%0.415SS*.Hα-helixtrans-65.6-41174.7-75.5173.6-177.4179.30111.7A20 S21 L22 K28A20-K24 VanDerWaalsContact O-CG 3.32Å; A20-K24 WeakPolarHBondContact O-CG 3.44Å; A20-K24 PolarHBondContact O-N 2.78Å; S21-K24 WeakPolarHBondContact O-CB 3.37Å; S21-K24 PolarHBondContact O-N 3.01Å; S21-K24 VanDerWaalsContact O-N 3.11Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.37Å; K24-K28 PolarHBondContact O-N 2.99Å
25T97.5Very high96.6Very high82 Ų8278.9 Ų78.950%0.50342%0.418SS..Hα-helixtrans-65.7-52.4177.7-57.40000111.3S21 L22 K27 K28 I29S21-T25 PolarHBondContact O-N 3.33Å; S21-T25 VanDerWaalsContact O-N 3.11Å; S21-T25 PolarHBondContact O-OG1 3.02Å; L22-T25 PolarHBondContact O-N 3.03Å; T25-K27 VanDerWaalsContact C-N 3.28Å; T25-K27 PolarHBondContact O-N 3.29Å; T25-K28 PolarHBondContact O-N 3.21Å; T25-K28 VanDerWaalsContact O-N 3.16Å; T25-I29 HydrophobicContact CG2-CD1 4.4Å; T25-I29 PolarHBondContact O-N 3.44Å
26I97.3Very high96.7Very high64 Ų6483.4 Ų83.433%0.32843%0.427SS..Hα-helixtrans-61.4-37.6178.5-71.4178.3000111V11 Y14 L22 K28 I29 E30V11-I26 HydrophobicContact CG1-CG2 4.16Å; Y14-I26 HydrophobicContact CE2-CG2 3.86Å; L22-I26 PolarHBondContact O-N 3.07Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 2.86Å; I26-I29 PolarHBondContact O-N 2.95Å; I26-I29 VanDerWaalsContact O-N 3.07Å; I26-E30 HydrophobicContact CG2-CG 3.62Å; I26-E30 WeakPolarHBondContact O-CG 3.14Å; I26-E30 PolarHBondContact O-N 2.78Å
27K97.7Very high96.7Very high64 Ų6479.9 Ų79.928%0.27840%0.399SS..Hα-helixtrans-54.4-43.1176.5-176-177.5-179.4-172.30112.4K7 V8 I10 V11 R23 T25 I29 I31K7-K27 PolarHBondContact O-NZ 2.78Å; V8-K27 WeakPolarHBondContact O-CD 3.19Å; V8-K27 WeakPolarHBondContact O-CE 3.39Å; I10-K27 HydrophobicContact CG2-CG 4.37Å; V11-K27 HydrophobicContact CG1-CB 3.65Å; V11-K27 HydrophobicContact CG1-CG 4.33Å; V11-K27 HydrophobicContact CG2-CB 4.02Å; V11-K27 HydrophobicContact CG2-CD 4.27Å; V11-K27 HydrophobicContact CG2-CG 4.28Å; R23-K27 WeakPolarHBondContact O-CB 3.44Å; R23-K27 PolarHBondContact O-N 3.28Å; T25-K27 VanDerWaalsContact C-N 3.28Å; T25-K27 PolarHBondContact O-N 3.29Å; K27-I29 VanDerWaalsContact C-N 3.34Å; K27-I31 HydrophobicContact CG-CD1 3.78Å; K27-I31 HydrophobicContact CG-CG1 4.48Å; K27-I31 WeakPolarHBondContact O-CB 3.36Å; K27-I31 WeakPolarHBondContact O-CD1 3.37Å; K27-I31 WeakPolarHBondContact O-CG1 3.35Å; K27-I31 PolarHBondContact O-N 3.14Å; K27-I31 VanDerWaalsContact O-N 3.11Å
28K96.7Very high96.6Very high166 Ų16676.6 Ų76.672%0.72239%0.392SS*.Hα-helixtrans-62-44.4178.1-66.9-179.4179.4-177.70111.1K24 T25 I26 S32K24-K28 PolarHBondContact O-N 2.99Å; T25-K28 PolarHBondContact O-N 3.21Å; T25-K28 VanDerWaalsContact O-N 3.16Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 2.86Å; K28-S32 PolarHBondContact O-N 3.27Å
29I96.9Very high96.5Very high54 Ų5470.1 Ų70.128%0.27737%0.367SS..Hα-helixtrans-68.8-43.1-179-61.6173.5000111.7T25 I26 K27 S32 Q33 Y69T25-I29 HydrophobicContact CG2-CD1 4.4Å; T25-I29 PolarHBondContact O-N 3.44Å; I26-I29 PolarHBondContact O-N 2.95Å; I26-I29 VanDerWaalsContact O-N 3.07Å; K27-I29 VanDerWaalsContact C-N 3.34Å; I29-S32 PolarHBondContact O-N 2.91Å; I29-S32 PolarHBondContact O-OG 2.84Å; I29-Q33 PolarHBondContact O-N 2.85Å; I29-Y69 HydrophobicContact CG2-CD1 3.32Å; I29-Y69 HydrophobicContact CG2-CD2 3.73Å; I29-Y69 HydrophobicContact CG2-CE1 3.63Å; I29-Y69 HydrophobicContact CG2-CE2 4.02Å; I29-Y69 HydrophobicContact CG2-CG 3.37Å
30E96.6Very high96.4Very high10 Ų1075.4 Ų75.45%0.04739%0.387CS..Hα-helixtrans-69.6-34.5-178.9-71.2-160.2141.900113I10 K13 Y14 I26 Q33 H34I10-E30 HydrophobicContact CD1-CB 4.19Å; I10-E30 HydrophobicContact CG2-CB 3.84Å; K13-E30 WeakPolarHBondContact CE-OE1 3.35Å; K13-E30 WeakPolarHBondContact CE-OE2 3.46Å; K13-E30 IonicContact NZ-OE1 2.6Å; K13-E30 PolarHBondContact NZ-OE1 2.96Å; K13-E30 IonicContact NZ-OE2 3.6Å; Y14-E30 PolarHBondContact OH-OE1 3.18Å; Y14-E30 VanDerWaalsContact OH-OE1 3.07Å; I26-E30 HydrophobicContact CG2-CG 3.62Å; I26-E30 WeakPolarHBondContact O-CG 3.14Å; I26-E30 PolarHBondContact O-N 2.78Å; E30-Q33 WeakPolarHBondContact O-CG 3.42Å; E30-H34 WeakPolarHBondContact O-CB 3.41Å; E30-H34 PolarHBondContact O-N 3.07Å; E30-H34 PolarHBondContact O-ND1 3.33Å
31I96.8Very high96.4Very high93 Ų9379 Ų7948%0.47739%0.393SS..Hα-helixtrans-64.4-48.5174.4-71168000109.5I10 K27 H34 A35I10-I31 HydrophobicContact CG2-CG1 4.12Å; K27-I31 HydrophobicContact CG-CD1 3.78Å; K27-I31 HydrophobicContact CG-CG1 4.48Å; K27-I31 WeakPolarHBondContact O-CB 3.36Å; K27-I31 WeakPolarHBondContact O-CD1 3.37Å; K27-I31 WeakPolarHBondContact O-CG1 3.35Å; K27-I31 PolarHBondContact O-N 3.14Å; K27-I31 VanDerWaalsContact O-N 3.11Å; I31-H34 PolarHBondContact O-N 3.27Å; I31-A35 WeakPolarHBondContact O-CB 3.36Å; I31-A35 PolarHBondContact O-N 3.12Å; I31-A35 VanDerWaalsContact O-N 3.08Å
32S95.9Very high96.4Very high22 Ų2277.2 Ų77.215%0.15438%0.379CS..Hα-helixtrans-65.2-42.8-177.871.70000112.2K28 I29 H34 A35 Y37 Y69K28-S32 PolarHBondContact O-N 3.27Å; I29-S32 PolarHBondContact O-N 2.91Å; I29-S32 PolarHBondContact O-OG 2.84Å; S32-H34 VanDerWaalsContact C-N 3.28Å; S32-H34 PolarHBondContact O-N 3.25Å; S32-A35 WeakPolarHBondContact O-CB 3.45Å; S32-A35 PolarHBondContact O-N 3.49Å; S32-Y37 WeakPolarHBondContact O-CE2 3.46Å; S32-Y37 PolarHBondContact O-OH 3.21Å; S32-Y69 CarbonylContact C-O 3.17Å; S32-Y69 WeakPolarHBondContact CB-O 3.15Å; S32-Y69 PolarHBondContact OG-O 2.95Å
33Q95.9Very high96.3Very high26 Ų2674.8 Ų74.812%0.12138%0.378CS..Hα-helixtrans-68.9-27.3-176.577.2178.5-18.800113.2I29 E30 Y69I29-Q33 PolarHBondContact O-N 2.85Å; E30-Q33 WeakPolarHBondContact O-CG 3.42Å; Q33-Y69 VanDerWaalsContact CA-O 3.32Å; Q33-Y69 WeakPolarHBondContact CA-O 3.44Å; Q33-Y69 HydrophobicContact CB-CD1 4.34Å; Q33-Y69 PolarHBondContact N-O 3.33Å; Q33-Y69 VanDerWaalsContact N-O 3.15Å
34H96Very high96.2Very high106 Ų10678.5 Ų78.549%0.49140%0.396SS..Hα-helixtrans-94.6-9.6179.6-65.4150.5000113.5I10 E30 I31 S32I10-H34 WeakPolarHBondContact CD1-ND1 3.4Å; E30-H34 WeakPolarHBondContact O-CB 3.41Å; E30-H34 PolarHBondContact O-N 3.07Å; E30-H34 PolarHBondContact O-ND1 3.33Å; I31-H34 PolarHBondContact O-N 3.27Å; S32-H34 VanDerWaalsContact C-N 3.28Å; S32-H34 PolarHBondContact O-N 3.25Å
35A95.4Very high96.2Very high34 Ų3476.4 Ų76.428%0.28139%0.392SS..SBendtrans-62.3151.2175.500000111.1I31 S32 Y37I31-A35 WeakPolarHBondContact O-CB 3.36Å; I31-A35 PolarHBondContact O-N 3.12Å; I31-A35 VanDerWaalsContact O-N 3.08Å; S32-A35 WeakPolarHBondContact O-CB 3.45Å; S32-A35 PolarHBondContact O-N 3.49Å; A35-Y37 HydrophobicContact CB-CE2 4.02Å
36K95.9Very high96.1Very high133 Ų13373.4 Ų73.458%0.57837%0.374SS*.  trans-87.7136.4164.2-66.8177.7-176.4177.90107.6D45 L47 K48K36-D45 WeakPolarHBondContact CD-O 3.49Å; K36-L47 WeakPolarHBondContact CA-O 3.49Å; K36-K48 VanDerWaalsContact CE-CE 3.49Å; K36-K48 HydrophobicContact CG-CD 4.36Å; K36-K48 HydrophobicContact CG-CG 4.06Å
37Y95.6Very high96Very high65 Ų6570.6 Ų70.626%0.25536%0.36SS..EExtended strand (participates in β ladder)trans-111.3157.7175-68.9-87.1000110.7S32 A35 D45 S46 L47 W55 C71S32-Y37 WeakPolarHBondContact O-CE2 3.46Å; S32-Y37 PolarHBondContact O-OH 3.21Å; A35-Y37 HydrophobicContact CB-CE2 4.02Å; Y37-D45 CarbonylContact O-C 3.35Å; Y37-D45 WeakPolarHBondContact O-CA 3.06Å; Y37-S46 PolarHBondContact O-N 3.5Å; Y37-L47 PolarHBondContact N-O 2.82Å; Y37-L47 VanDerWaalsContact O-CB 3.26Å; Y37-L47 WeakPolarHBondContact O-CB 3.46Å; Y37-L47 PolarHBondContact O-N 3.05Å; Y37-L47 VanDerWaalsContact O-N 3.13Å; Y37-W55 HydrophobicContact CD2-CE3 4.15Å; Y37-W55 HydrophobicContact CD2-CH2 4.05Å; Y37-W55 AromaticContact CD2-CZ3 3.48Å; Y37-W55 HydrophobicContact CD2-CZ3 3.48Å; Y37-W55 VanDerWaalsContact CD2-CZ3 3.48Å; Y37-W55 AromaticContact CE2-CH2 3.62Å; Y37-W55 HydrophobicContact CE2-CH2 3.62Å; Y37-W55 AromaticContact CE2-CZ3 3.54Å; Y37-W55 HydrophobicContact CE2-CZ3 3.54Å; Y37-C71 HydrophobicContact CD2-CB 4.23Å; Y37-C71 HydrophobicContact CG-CB 4.16Å
38N96Very high96Very high77 Ų7771 Ų7141%0.41236%0.362SS..EExtended strand (participates in β ladder)trans-65133.9170.9-165.6-84000110.2G43 D45N38-G43 PolarHBondContact ND2-O 3.49Å; N38-D45 WeakPolarHBondContact CA-OD1 3.47Å; N38-D45 WeakPolarHBondContact CB-OD1 3.23Å; N38-D45 PolarHBondContact N-OD1 3.12Å; N38-D45 PolarHBondContact ND2-OD1 2.96Å
39C96.1Very high96Very high1 Ų167.2 Ų67.21%0.00734%0.343CS..  trans-93.8114175.8-179.40000110.5F41 C42 G43 K44 L47 C57 C60C39-F41 PolarHBondContact O-N 3.23Å; C39-C42 PolarHBondContact O-N 3.21Å; C39-G43 WeakPolarHBondContact O-CA 3.32Å; C39-G43 PolarHBondContact O-N 3.4Å; C39-K44 WeakPolarHBondContact CB-O 3.26Å; C39-K44 PolarHBondContact N-O 2.87Å; C39-L47 HydrophobicContact CB-CB 4.37Å; C39-C57 HydrophobicContact CB-CB 4.26Å; C39-C60 VanDerWaalsContact SG-SG 3.61Å
40N93.8Very high96Very high147 Ų14771.3 Ų71.379%0.78636%0.358SS*.THydrogen-bonded Turntrans-57.9-17179-64.58.4000114.7
41F95.6Very high96Very high132 Ų13272.8 Ų72.858%0.57937%0.372SS*.THydrogen-bonded Turntrans-87.7-38.4180-57.2-77.5000113.5C39 K62 V64C39-F41 PolarHBondContact O-N 3.23Å; F41-K62 HydrophobicContact CB-CG 4.18Å; F41-K62 HydrophobicContact CD1-CG 4.49Å; F41-K62 HydrophobicContact CD2-CB 3.74Å; F41-K62 HydrophobicContact CD2-CG 3.97Å; F41-K62 HydrophobicContact CE2-CB 4.12Å; F41-K62 HydrophobicContact CG-CB 4.25Å; F41-K62 HydrophobicContact CG-CG 3.95Å; F41-V64 HydrophobicContact CD2-CG2 4.4Å; F41-V64 HydrophobicContact CE2-CG2 3.53Å; F41-V64 HydrophobicContact CZ-CG2 4.36Å
42C96.3Very high95.9Very high46 Ų4671.7 Ų71.731%0.31138%0.377SS..THydrogen-bonded Turntrans-121.60.1-17566.60000114.3C39 K44 C60C39-C42 PolarHBondContact O-N 3.21Å; C42-K44 PolarHBondContact O-N 3.48Å; C42-C60 HydrophobicContact CB-CB 3.79Å; C42-C60 VanDerWaalsContact SG-SG 3.64Å
43G95.4Very high95.9Very high48 Ų4871.6 Ų71.650%0.49538%0.379SS..  trans69.7-8.7-179.300000115.9N38 C39N38-G43 PolarHBondContact ND2-O 3.49Å; C39-G43 WeakPolarHBondContact O-CA 3.32Å; C39-G43 PolarHBondContact O-N 3.4Å
44K96.5Very high96Very high131 Ų13173.9 Ų73.957%0.5739%0.392SS*.  trans-80.9141.1-178.5-62.9176.8-178179.80112.5C39 C42 S46 A59C39-K44 WeakPolarHBondContact CB-O 3.26Å; C39-K44 PolarHBondContact N-O 2.87Å; C42-K44 PolarHBondContact O-N 3.48Å; K44-S46 PolarHBondContact O-N 3.32Å; K44-A59 HydrophobicContact CB-CB 4.42Å; K44-A59 HydrophobicContact CD-CB 3.63Å
45D95.6Very high96.1Very high103 Ų10368.9 Ų68.955%0.55137%0.369SS*.EExtended strand (participates in β ladder)trans-75.366171.6-69.2-14.8000111.9K36 Y37 N38K36-D45 WeakPolarHBondContact CD-O 3.49Å; Y37-D45 CarbonylContact O-C 3.35Å; Y37-D45 WeakPolarHBondContact O-CA 3.06Å; N38-D45 WeakPolarHBondContact CA-OD1 3.47Å; N38-D45 WeakPolarHBondContact CB-OD1 3.23Å; N38-D45 PolarHBondContact N-OD1 3.12Å; N38-D45 PolarHBondContact ND2-OD1 2.96Å
46S95.9Very high96.2Very high19 Ų1969.5 Ų69.513%0.13337%0.366CS..EExtended strand (participates in β ladder)trans-133.26.2-173.463.40000113.5Y37 K44 K48 C57 K58 A59Y37-S46 PolarHBondContact O-N 3.5Å; K44-S46 PolarHBondContact O-N 3.32Å; S46-K48 PolarHBondContact O-N 2.82Å; S46-C57 PolarHBondContact OG-SG 3.41Å; S46-K58 PolarHBondContact O-N 3.2Å; S46-A59 WeakPolarHBondContact OG-CB 3.48Å
47L96.4Very high96.2Very high6 Ų663.1 Ų63.13%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-75.7121.4173.2-16768.9000109.6K36 Y37 C39 W55 C57 C71K36-L47 WeakPolarHBondContact CA-O 3.49Å; Y37-L47 PolarHBondContact N-O 2.82Å; Y37-L47 VanDerWaalsContact O-CB 3.26Å; Y37-L47 WeakPolarHBondContact O-CB 3.46Å; Y37-L47 PolarHBondContact O-N 3.05Å; Y37-L47 VanDerWaalsContact O-N 3.13Å; C39-L47 HydrophobicContact CB-CB 4.37Å; L47-W55 HydrophobicContact CD1-CB 4Å; L47-W55 HydrophobicContact CD2-CB 4.4Å; L47-W55 HydrophobicContact CG-CB 4.1Å; L47-C57 HydrophobicContact CD1-CB 3.95Å; L47-C71 HydrophobicContact CD2-CB 4.18Å; L47-C71 WeakPolarHBondContact CD2-SG 3.33Å
48K96.5Very high96.2Very high73 Ų7366.4 Ų66.432%0.31735%0.353SS..EExtended strand (participates in β ladder)trans-130.9152179.3-76.2-165.6169.1-161.90111K36 S46 K50 W55 E56K36-K48 VanDerWaalsContact CE-CE 3.49Å; K36-K48 HydrophobicContact CG-CD 4.36Å; K36-K48 HydrophobicContact CG-CG 4.06Å; S46-K48 PolarHBondContact O-N 2.82Å; K48-K50 PolarHBondContact O-N 3.13Å; K48-W55 CarbonylContact O-C 3.54Å; K48-W55 WeakPolarHBondContact O-CA 3.21Å; K48-E56 PolarHBondContact N-O 3.19Å; K48-E56 PolarHBondContact O-N 3.13Å
49R97.3Very high96.2Very high86 Ų8665.1 Ų65.133%0.32535%0.354SS..EExtended strand (participates in β ladder)trans-66.6126.8174.1-172.3177.8176.9-102.20.4110.3A51 W55 A68R49-A51 WeakPolarHBondContact CG-O 3.15Å; R49-W55 HydrophobicContact CB-CD2 4.3Å; R49-W55 HydrophobicContact CB-CE3 4.01Å; R49-W55 HydrophobicContact CB-CH2 3.83Å; R49-W55 HydrophobicContact CB-CZ2 4.12Å; R49-W55 HydrophobicContact CB-CZ3 3.76Å; R49-W55 HydrophobicContact CG-CH2 4.44Å; R49-W55 HydrophobicContact CG-CZ2 4.28Å; R49-W55 VanDerWaalsContact N-CE3 3.3Å; R49-A68 PolarHBondContact NE-O 2.95Å
50K96.3Very high96.2Very high140 Ų14067 Ų6761%0.60937%0.367SS*.EExtended strand (participates in β ladder)trans-98.1-47.3171.9-172.3-178-164.5154.30111.1K48 I54 E56K48-K50 PolarHBondContact O-N 3.13Å; K50-I54 HydrophobicContact CB-CG2 4.27Å; K50-I54 PolarHBondContact N-O 2.8Å; K50-E56 HydrophobicContact CB-CB 4.39Å; K50-E56 VanDerWaalsContact CD-OE2 3.29Å; K50-E56 WeakPolarHBondContact CD-OE2 3.46Å; K50-E56 WeakPolarHBondContact CE-OE2 3.5Å; K50-E56 IonicContact NZ-OE2 2.79Å; K50-E56 PolarHBondContact NZ-OE2 3.17Å
51A96.3Very high96.3Very high41 Ų4166.8 Ų66.834%0.33936%0.359SS..EExtended strand (participates in β ladder)trans-144.3179.9176.200000109.8R49 G53 I54R49-A51 WeakPolarHBondContact CG-O 3.15Å; A51-G53 PolarHBondContact O-N 2.95Å; A51-I54 HydrophobicContact CB-CB 4.18Å; A51-I54 HydrophobicContact CB-CD1 4.24Å; A51-I54 HydrophobicContact CB-CG1 4.44Å; A51-I54 PolarHBondContact N-O 2.93Å; A51-I54 PolarHBondContact O-N 3.44Å; A51-I54 VanDerWaalsContact O-N 3.14Å
52A96Very high96.4Very high69 Ų6965.9 Ų65.957%0.5735%0.354SS*.THydrogen-bonded Turntrans-59.7121.9173.400000109.9I54A52-I54 PolarHBondContact O-N 3.39Å
53G95.9Very high96.4Very high20 Ų2067.7 Ų67.721%0.20636%0.364CS..THydrogen-bonded Turntrans74.8-3.8-178.600000115.5A51 A65 G66A51-G53 PolarHBondContact O-N 2.95Å; G53-A65 CarbonylContact O-C 3.58Å; G53-A65 WeakPolarHBondContact O-CA 3.38Å; G53-G66 WeakPolarHBondContact CA-O 3.09Å; G53-G66 PolarHBondContact O-N 3.48Å
54I97.3Very high96.4Very high75 Ų7567.4 Ų67.439%0.38535%0.352SS..EExtended strand (participates in β ladder)trans-114.2120.4-178.1-56.3179000110K50 A51 A52 V63K50-I54 HydrophobicContact CB-CG2 4.27Å; K50-I54 PolarHBondContact N-O 2.8Å; A51-I54 HydrophobicContact CB-CB 4.18Å; A51-I54 HydrophobicContact CB-CD1 4.24Å; A51-I54 HydrophobicContact CB-CG1 4.44Å; A51-I54 PolarHBondContact N-O 2.93Å; A51-I54 PolarHBondContact O-N 3.44Å; A51-I54 VanDerWaalsContact O-N 3.14Å; A52-I54 PolarHBondContact O-N 3.39Å; I54-V63 HydrophobicContact CG2-CG1 3.55Å
55W97.4Very high96.4Very high0 Ų065.7 Ų65.70%036%0.362CS..EExtended strand (participates in β ladder)trans-118.8127.5-179-64.780.5000110.1Y37 L47 K48 R49 V63 V64 G67 C71Y37-W55 HydrophobicContact CD2-CE3 4.15Å; Y37-W55 HydrophobicContact CD2-CH2 4.05Å; Y37-W55 AromaticContact CD2-CZ3 3.48Å; Y37-W55 HydrophobicContact CD2-CZ3 3.48Å; Y37-W55 VanDerWaalsContact CD2-CZ3 3.48Å; Y37-W55 AromaticContact CE2-CH2 3.62Å; Y37-W55 HydrophobicContact CE2-CH2 3.62Å; Y37-W55 AromaticContact CE2-CZ3 3.54Å; Y37-W55 HydrophobicContact CE2-CZ3 3.54Å; L47-W55 HydrophobicContact CD1-CB 4Å; L47-W55 HydrophobicContact CD2-CB 4.4Å; L47-W55 HydrophobicContact CG-CB 4.1Å; K48-W55 CarbonylContact O-C 3.54Å; K48-W55 WeakPolarHBondContact O-CA 3.21Å; R49-W55 HydrophobicContact CB-CD2 4.3Å; R49-W55 HydrophobicContact CB-CE3 4.01Å; R49-W55 HydrophobicContact CB-CH2 3.83Å; R49-W55 HydrophobicContact CB-CZ2 4.12Å; R49-W55 HydrophobicContact CB-CZ3 3.76Å; R49-W55 HydrophobicContact CG-CH2 4.44Å; R49-W55 HydrophobicContact CG-CZ2 4.28Å; R49-W55 VanDerWaalsContact N-CE3 3.3Å; W55-V63 CarbonylContact O-C 3.5Å; W55-V63 VanDerWaalsContact O-CA 3.3Å; W55-V63 WeakPolarHBondContact O-CA 3.39Å; W55-V64 PolarHBondContact N-O 3.38Å; W55-V64 PolarHBondContact O-N 3.27Å; W55-G67 PolarHBondContact NE1-O 2.76Å; W55-C71 HydrophobicContact CD2-CB 3.97Å; W55-C71 HydrophobicContact CE3-CB 4.15Å; W55-C71 HydrophobicContact CG-CB 4.36Å
56E97.3Very high96.4Very high47 Ų4762.1 Ų62.122%0.2235%0.35CS..EExtended strand (participates in β ladder)trans-117.6129.7-178.5-175.9-179.9157.500110.4K48 K50 V63K48-E56 PolarHBondContact N-O 3.19Å; K48-E56 PolarHBondContact O-N 3.13Å; K50-E56 HydrophobicContact CB-CB 4.39Å; K50-E56 VanDerWaalsContact CD-OE2 3.29Å; K50-E56 WeakPolarHBondContact CD-OE2 3.46Å; K50-E56 WeakPolarHBondContact CE-OE2 3.5Å; K50-E56 IonicContact NZ-OE2 2.79Å; K50-E56 PolarHBondContact NZ-OE2 3.17Å; E56-V63 HydrophobicContact CB-CG2 4.32Å; E56-V63 HydrophobicContact CG-CG2 4.05Å
57C97.2Very high96.4Very high0 Ų061.6 Ų61.60%035%0.348CS..EExtended strand (participates in β ladder)trans-84117.4173.4-177.60000109.8C39 S46 L47 A59 C60 K61 K62C39-C57 HydrophobicContact CB-CB 4.26Å; S46-C57 PolarHBondContact OG-SG 3.41Å; L47-C57 HydrophobicContact CD1-CB 3.95Å; C57-A59 VanDerWaalsContact C-N 3.25Å; C57-A59 PolarHBondContact O-N 3.04Å; C57-C60 VanDerWaalsContact CB-SG 3.55Å; C57-C60 PolarHBondContact SG-SG 3.48Å; C57-K61 WeakPolarHBondContact O-CA 3.47Å; C57-K61 PolarHBondContact O-N 3.2Å; C57-K62 PolarHBondContact N-O 3.34Å
58K95.5Very high96.4Very high133 Ų13363.5 Ų63.558%0.57836%0.364SS*.THydrogen-bonded Turntrans-63.6-31.8-179.7-72.2-165.4171.2-160.70113.3S46 K61S46-K58 PolarHBondContact O-N 3.2Å; K58-K61 WeakPolarHBondContact O-CE 3.32Å; K58-K61 PolarHBondContact O-NZ 2.87Å
59A95.8Very high96.4Very high50 Ų5065.4 Ų65.441%0.41337%0.37SS..THydrogen-bonded Turntrans-80.9-50.8-174.700000113.3K44 S46 C57K44-A59 HydrophobicContact CB-CB 4.42Å; K44-A59 HydrophobicContact CD-CB 3.63Å; S46-A59 WeakPolarHBondContact OG-CB 3.48Å; C57-A59 VanDerWaalsContact C-N 3.25Å; C57-A59 PolarHBondContact O-N 3.04Å
60C96.7Very high96.3Very high42 Ų4263.8 Ų63.828%0.28437%0.37SS..THydrogen-bonded Turntrans-101.31.3-177.668.90000114.4C39 C42 C57 K62C39-C60 VanDerWaalsContact SG-SG 3.61Å; C42-C60 HydrophobicContact CB-CB 3.79Å; C42-C60 VanDerWaalsContact SG-SG 3.64Å; C57-C60 VanDerWaalsContact CB-SG 3.55Å; C57-C60 PolarHBondContact SG-SG 3.48Å; C60-K62 HydrophobicContact CB-CG 4.47Å; C60-K62 PolarHBondContact O-N 2.98Å
61K96Very high96.2Very high142 Ų14258.3 Ų58.362%0.61735%0.349SS*.  trans599.9-179.9-52.6-57-172.9-173.60115.4C57 K58C57-K61 WeakPolarHBondContact O-CA 3.47Å; C57-K61 PolarHBondContact O-N 3.2Å; K58-K61 WeakPolarHBondContact O-CE 3.32Å; K58-K61 PolarHBondContact O-NZ 2.87Å
62K96.3Very high96Very high113 Ų11359 Ų5949%0.49135%0.351SS..  trans-69134.4173.2-65.6-66-175.8-179.90110F41 C57 C60F41-K62 HydrophobicContact CB-CG 4.18Å; F41-K62 HydrophobicContact CD1-CG 4.49Å; F41-K62 HydrophobicContact CD2-CB 3.74Å; F41-K62 HydrophobicContact CD2-CG 3.97Å; F41-K62 HydrophobicContact CE2-CB 4.12Å; F41-K62 HydrophobicContact CG-CB 4.25Å; F41-K62 HydrophobicContact CG-CG 3.95Å; C57-K62 PolarHBondContact N-O 3.34Å; C60-K62 HydrophobicContact CB-CG 4.47Å; C60-K62 PolarHBondContact O-N 2.98Å
63V96.8Very high96Very high84 Ų8458.1 Ų58.151%0.50934%0.339SS..EExtended strand (participates in β ladder)trans-106.8134.4174.3-178.20000108.1I54 W55 E56I54-V63 HydrophobicContact CG2-CG1 3.55Å; W55-V63 CarbonylContact O-C 3.5Å; W55-V63 VanDerWaalsContact O-CA 3.3Å; W55-V63 WeakPolarHBondContact O-CA 3.39Å; E56-V63 HydrophobicContact CB-CG2 4.32Å; E56-V63 HydrophobicContact CG-CG2 4.05Å
64V95.3Very high96Very high41 Ų4162.9 Ų62.925%0.24836%0.364CS..EExtended strand (participates in β ladder)trans-129.1135.5-174.7-171.50000109.2F41 W55F41-V64 HydrophobicContact CD2-CG2 4.4Å; F41-V64 HydrophobicContact CE2-CG2 3.53Å; F41-V64 HydrophobicContact CZ-CG2 4.36Å; W55-V64 PolarHBondContact N-O 3.38Å; W55-V64 PolarHBondContact O-N 3.27Å
65A96.5Very high95.9Very high95 Ų9562 Ų6279%0.78537%0.368SS*.EExtended strand (participates in β ladder)trans-76.4128.316700000109.7G53G53-A65 CarbonylContact O-C 3.58Å; G53-A65 WeakPolarHBondContact O-CA 3.38Å
66G95.3Very high95.8Very high29 Ų2963.8 Ų63.830%0.29938%0.383SS..  trans-144.3-163.7-177.300000112.2G53 C71G53-G66 WeakPolarHBondContact CA-O 3.09Å; G53-G66 PolarHBondContact O-N 3.48Å; G66-C71 WeakPolarHBondContact CA-O 3.38Å
67G96.2Very high95.7Very high7 Ų765 Ų657%0.07239%0.394CS..  trans-72.7169173.700000113.1W55 Y69 V70 C71W55-G67 PolarHBondContact NE1-O 2.76Å; G67-Y69 PolarHBondContact O-N 3.02Å; G67-V70 CarbonylContact C-O 3.57Å; G67-V70 WeakPolarHBondContact CA-O 3.42Å; G67-V70 PolarHBondContact N-O 3.48Å; G67-C71 PolarHBondContact N-O 3.47Å
68A97Very high95.7Very high46 Ų4669 Ų6938%0.3842%0.418SS..SBendtrans-63.5-40.4179.200000113.1R49R49-A68 PolarHBondContact NE-O 2.95Å
69Y96.6Very high95.8Very high114 Ų11467.3 Ų67.345%0.44741%0.414SS..SBendtrans-125.4-9-174.1-49.3-68.8000114.2I29 S32 Q33 G67I29-Y69 HydrophobicContact CG2-CD1 3.32Å; I29-Y69 HydrophobicContact CG2-CD2 3.73Å; I29-Y69 HydrophobicContact CG2-CE1 3.63Å; I29-Y69 HydrophobicContact CG2-CE2 4.02Å; I29-Y69 HydrophobicContact CG2-CG 3.37Å; S32-Y69 CarbonylContact C-O 3.17Å; S32-Y69 WeakPolarHBondContact CB-O 3.15Å; S32-Y69 PolarHBondContact OG-O 2.95Å; Q33-Y69 VanDerWaalsContact CA-O 3.32Å; Q33-Y69 WeakPolarHBondContact CA-O 3.44Å; Q33-Y69 HydrophobicContact CB-CD1 4.34Å; Q33-Y69 PolarHBondContact N-O 3.33Å; Q33-Y69 VanDerWaalsContact N-O 3.15Å; G67-Y69 PolarHBondContact O-N 3.02Å
70V95.4Very high95.8Very high51 Ų5171.4 Ų71.431%0.30942%0.419SS..SBendtrans-134.4143.3177.1-70.40000108.2G67 S72 T73G67-V70 CarbonylContact C-O 3.57Å; G67-V70 WeakPolarHBondContact CA-O 3.42Å; G67-V70 PolarHBondContact N-O 3.48Å; V70-S72 VanDerWaalsContact C-N 3.34Å; V70-S72 PolarHBondContact O-N 3.18Å; V70-T73 HydrophobicContact CG2-CG2 4.22Å
71C93.1Very high95.7Very high25 Ų2571.9 Ų71.917%0.16943%0.426CS..SBendtrans-63.5-39.4-179.4-177.80000112.4Y37 L47 W55 G66 G67Y37-C71 HydrophobicContact CD2-CB 4.23Å; Y37-C71 HydrophobicContact CG-CB 4.16Å; L47-C71 HydrophobicContact CD2-CB 4.18Å; L47-C71 WeakPolarHBondContact CD2-SG 3.33Å; W55-C71 HydrophobicContact CD2-CB 3.97Å; W55-C71 HydrophobicContact CE3-CB 4.15Å; W55-C71 HydrophobicContact CG-CB 4.36Å; G66-C71 WeakPolarHBondContact CA-O 3.38Å; G67-C71 PolarHBondContact N-O 3.47Å
72S92.9Very high95.8Very high55 Ų5566.6 Ų66.639%0.38541%0.409SS..SBendtrans-121119.4179.1-169.30000109.8V70 T77 R80V70-S72 VanDerWaalsContact C-N 3.34Å; V70-S72 PolarHBondContact O-N 3.18Å; S72-T77 PolarHBondContact OG-OG1 3.27Å; S72-T77 VanDerWaalsContact OG-OG1 3.13Å; S72-R80 PolarHBondContact OG-NH2 3.25Å
73T95.8Very high95.8Very high51 Ų5166.2 Ų66.231%0.31341%0.411SS..  trans-81.5151.2174.161.80000110.3V70 A75 A76 T77V70-T73 HydrophobicContact CG2-CG2 4.22Å; T73-A75 VanDerWaalsContact C-N 3.28Å; T73-A75 PolarHBondContact O-N 3.46Å; T73-A76 PolarHBondContact O-N 3.18Å; T73-A76 WeakPolarHBondContact OG1-CB 3.45Å; T73-A76 PolarHBondContact OG1-N 3.08Å; T73-A76 VanDerWaalsContact OG1-N 3.17Å; T73-T77 PolarHBondContact O-N 2.6Å; T73-T77 PolarHBondContact O-OG1 3.38Å
74T95.3Very high95.8Very high120 Ų12070.6 Ų70.674%0.73642%0.418SS*.Hα-helixtrans-57.3-44.1176.7-49.90000111.3A76 T77 T78T74-A76 PolarHBondContact O-N 2.96Å; T74-T77 WeakPolarHBondContact O-CB 3.33Å; T74-T77 PolarHBondContact O-N 3.07Å; T74-T78 PolarHBondContact O-N 3.3Å; T74-T78 PolarHBondContact O-OG1 3.34Å
75A96.5Very high95.9Very high57 Ų5776.9 Ų76.947%0.47144%0.438SS..Hα-helixtrans-61.9-41.6176.900000112.8T73 T77 T78 I79T73-A75 VanDerWaalsContact C-N 3.28Å; T73-A75 PolarHBondContact O-N 3.46Å; A75-T77 VanDerWaalsContact C-N 3.29Å; A75-T77 PolarHBondContact O-N 3.11Å; A75-T78 WeakPolarHBondContact CA-OG1 3.43Å; A75-T78 PolarHBondContact O-N 3.31Å; A75-T78 PolarHBondContact O-OG1 3.15Å; A75-I79 WeakPolarHBondContact O-CB 3.16Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 VanDerWaalsContact O-CG1 3.23Å; A75-I79 WeakPolarHBondContact O-CG1 3.37Å; A75-I79 PolarHBondContact O-N 2.99Å
76A95.5Very high95.9Very high38 Ų3878.5 Ų78.531%0.31443%0.432SS..Hα-helixtrans-65.9-34.8176.300000111.9T73 T74 R80T73-A76 PolarHBondContact O-N 3.18Å; T73-A76 WeakPolarHBondContact OG1-CB 3.45Å; T73-A76 PolarHBondContact OG1-N 3.08Å; T73-A76 VanDerWaalsContact OG1-N 3.17Å; T74-A76 PolarHBondContact O-N 2.96Å; A76-R80 WeakPolarHBondContact O-CG 3.07Å; A76-R80 PolarHBondContact O-N 2.83Å; A76-R80 VanDerWaalsContact O-N 3.07Å; A76-R80 PolarHBondContact O-NE 3.45Å
77T94.7Very high96Very high72 Ų7284.6 Ų84.644%0.44245%0.446SS..Hα-helixtrans-65.6-43.8174.9-57.60000111.9S72 T73 T74 A75 R80 A81S72-T77 PolarHBondContact OG-OG1 3.27Å; S72-T77 VanDerWaalsContact OG-OG1 3.13Å; T73-T77 PolarHBondContact O-N 2.6Å; T73-T77 PolarHBondContact O-OG1 3.38Å; T74-T77 WeakPolarHBondContact O-CB 3.33Å; T74-T77 PolarHBondContact O-N 3.07Å; A75-T77 VanDerWaalsContact C-N 3.29Å; A75-T77 PolarHBondContact O-N 3.11Å; T77-R80 PolarHBondContact O-N 2.78Å; T77-R80 PolarHBondContact OG1-NH2 3.16Å; T77-A81 PolarHBondContact O-N 3.47Å
78T97Very high96Very high85 Ų8587.6 Ų87.652%0.52146%0.461SS..Hα-helixtrans-66.9-41.117855.50000112.2T74 A75 A81 A82T74-T78 PolarHBondContact O-N 3.3Å; T74-T78 PolarHBondContact O-OG1 3.34Å; A75-T78 WeakPolarHBondContact CA-OG1 3.43Å; A75-T78 PolarHBondContact O-N 3.31Å; A75-T78 PolarHBondContact O-OG1 3.15Å; T78-A81 PolarHBondContact O-N 2.94Å; T78-A82 PolarHBondContact O-N 2.97Å
79I97.1Very high96Very high96 Ų9688.8 Ų88.849%0.49247%0.47SS..Hα-helixtrans-62.9-43.6177.5-68.7166.3000111A75 A81 A82 I83A75-I79 WeakPolarHBondContact O-CB 3.16Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 VanDerWaalsContact O-CG1 3.23Å; A75-I79 WeakPolarHBondContact O-CG1 3.37Å; A75-I79 PolarHBondContact O-N 2.99Å; I79-A81 VanDerWaalsContact C-N 3.28Å; I79-A81 PolarHBondContact O-N 3.33Å; I79-A82 PolarHBondContact O-N 3.18Å; I79-A82 VanDerWaalsContact O-N 3.12Å; I79-I83 HydrophobicContact CG2-CD1 3.62Å; I79-I83 HydrophobicContact CG2-CG1 4.17Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.28Å
80R95.3Very high95.9Very high137 Ų13791.1 Ų91.152%0.51749%0.485SS..Hα-helixtrans-58.6-40.4176-77.7-177.7-66.6-158.81.2112.5S72 A76 T77 R84S72-R80 PolarHBondContact OG-NH2 3.25Å; A76-R80 WeakPolarHBondContact O-CG 3.07Å; A76-R80 PolarHBondContact O-N 2.83Å; A76-R80 VanDerWaalsContact O-N 3.07Å; A76-R80 PolarHBondContact O-NE 3.45Å; T77-R80 PolarHBondContact O-N 2.78Å; T77-R80 PolarHBondContact OG1-NH2 3.16Å; R80-R84 WeakPolarHBondContact O-CB 3.32Å; R80-R84 PolarHBondContact O-N 3.07Å; R80-R84 VanDerWaalsContact O-N 3.12Å
81A96Very high95.8Very high51 Ų5194.5 Ų94.542%0.42150%0.498SS..Hα-helixtrans-69.2-35.6176.100000112.6T77 T78 I79 R85T77-A81 PolarHBondContact O-N 3.47Å; T78-A81 PolarHBondContact O-N 2.94Å; I79-A81 VanDerWaalsContact C-N 3.28Å; I79-A81 PolarHBondContact O-N 3.33Å; A81-R85 WeakPolarHBondContact O-CG 3.15Å; A81-R85 PolarHBondContact O-N 3.24Å; A81-R85 PolarHBondContact O-NE 3.5Å
82A97.1Very high95Very high32 Ų32100.6 Ų100.626%0.26454%0.541SS..Hα-helixtrans-67.4-47.6175.400000112T78 I79 R84 R85 L86T78-A82 PolarHBondContact O-N 2.97Å; I79-A82 PolarHBondContact O-N 3.18Å; I79-A82 VanDerWaalsContact O-N 3.12Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.38Å; A82-R85 PolarHBondContact O-N 3.15Å; A82-L86 WeakPolarHBondContact O-CG 3.46Å; A82-L86 PolarHBondContact O-N 3.01Å
83I97.2Very high95.1Very high104 Ų104102.9 Ų102.953%0.53355%0.548SS..Hα-helixtrans-59.4-43.4178-67.8170.1000110.7I79 R85 L86 R87I79-I83 HydrophobicContact CG2-CD1 3.62Å; I79-I83 HydrophobicContact CG2-CG1 4.17Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.28Å; I83-R85 PolarHBondContact O-N 3.14Å; I83-L86 PolarHBondContact O-N 3.41Å; I83-R87 WeakPolarHBondContact O-CB 3.15Å; I83-R87 PolarHBondContact O-N 3.11Å
84R96.5Very high95.1Very high176 Ų176105.6 Ų105.666%0.66456%0.561SS**Hα-helixtrans-57.1-50.1176.1-177.9179174.9-179.70.8111.6R80 A82 L86 R87 D88R80-R84 WeakPolarHBondContact O-CB 3.32Å; R80-R84 PolarHBondContact O-N 3.07Å; R80-R84 VanDerWaalsContact O-N 3.12Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.38Å; R84-L86 VanDerWaalsContact C-N 3.34Å; R84-L86 PolarHBondContact O-N 3.06Å; R84-R87 PolarHBondContact O-N 3.15Å; R84-D88 PolarHBondContact O-N 3.17Å
85R96.9Very high95.1Very high174 Ų174104.8 Ų104.866%0.65755%0.551SS**Hα-helixtrans-60.2-41.5178.7-74.1-175.8-67.7143.4-2.7113.1A81 A82 I83 R87 D88 A89A81-R85 WeakPolarHBondContact O-CG 3.15Å; A81-R85 PolarHBondContact O-N 3.24Å; A81-R85 PolarHBondContact O-NE 3.5Å; A82-R85 PolarHBondContact O-N 3.15Å; I83-R85 PolarHBondContact O-N 3.14Å; R85-R87 VanDerWaalsContact C-N 3.32Å; R85-D88 PolarHBondContact O-N 3.23Å; R85-A89 WeakPolarHBondContact O-CB 3.32Å; R85-A89 PolarHBondContact O-N 3.35Å; R85-A89 VanDerWaalsContact O-N 3.11Å
86L97Very high95Very high128 Ų128107.6 Ų107.667%0.6756%0.556SS**Hα-helixtrans-66.4-36.3178.2-70.5173.5000112.1A82 I83 R84 H90A82-L86 WeakPolarHBondContact O-CG 3.46Å; A82-L86 PolarHBondContact O-N 3.01Å; I83-L86 PolarHBondContact O-N 3.41Å; R84-L86 VanDerWaalsContact C-N 3.34Å; R84-L86 PolarHBondContact O-N 3.06Å; L86-H90 PolarHBondContact O-N 3.16Å
87R97.1Very high95Very high157 Ų157112 Ų11259%0.59257%0.571SS**Hα-helixtrans-66.6-48.6175.3-178.8179.8170.1-172.9-7.4111.6I83 R84 R85 A89 H90 E91I83-R87 WeakPolarHBondContact O-CB 3.15Å; I83-R87 PolarHBondContact O-N 3.11Å; R84-R87 PolarHBondContact O-N 3.15Å; R85-R87 VanDerWaalsContact C-N 3.32Å; R87-A89 PolarHBondContact O-N 3.11Å; R87-H90 PolarHBondContact O-N 2.99Å; R87-E91 HydrophobicContact CG-CG 4.45Å; R87-E91 IonicContact CZ-OE1 3.33Å; R87-E91 IonicContact NE-OE1 2.76Å; R87-E91 PolarHBondContact NE-OE1 2.93Å; R87-E91 IonicContact NE-OE2 3.93Å; R87-E91 IonicContact NH2-OE1 2.99Å; R87-E91 PolarHBondContact NH2-OE1 3.39Å; R87-E91 PolarHBondContact O-N 2.88Å
88D96.2Very high95Very high71 Ų71114.7 Ų114.738%0.3858%0.579SS.*Hα-helixtrans-59.4-36.1179.3-61.2-15.2000111.1R84 R85 S92R84-D88 PolarHBondContact O-N 3.17Å; R85-D88 PolarHBondContact O-N 3.23Å; D88-S92 PolarHBondContact O-N 2.75Å; D88-S92 PolarHBondContact O-OG 3.05Å
89A96.1Very high94.9Very high70 Ų70116.8 Ų116.858%0.57958%0.584SS**Hα-helixtrans-75-19.8176.500000114.7R85 R87R85-A89 WeakPolarHBondContact O-CB 3.32Å; R85-A89 PolarHBondContact O-N 3.35Å; R85-A89 VanDerWaalsContact O-N 3.11Å; R87-A89 PolarHBondContact O-N 3.11Å
90H95.2Very high94.7Very high164 Ų164118.4 Ų118.476%0.75959%0.591SS**Hα-helixtrans-88.1-30.2175.8178.565000112.3L86 R87L86-H90 PolarHBondContact O-N 3.16Å; R87-H90 PolarHBondContact O-N 2.99Å
91E92.5Very high94.6Very high122 Ų122116.8 Ų116.857%0.5760%0.597SS**Hα-helixtrans-81.9-15.4178-67.6176.4174.400112.8R87R87-E91 HydrophobicContact CG-CG 4.45Å; R87-E91 IonicContact CZ-OE1 3.33Å; R87-E91 IonicContact NE-OE1 2.76Å; R87-E91 PolarHBondContact NE-OE1 2.93Å; R87-E91 IonicContact NE-OE2 3.93Å; R87-E91 IonicContact NH2-OE1 2.99Å; R87-E91 PolarHBondContact NH2-OE1 3.39Å; R87-E91 PolarHBondContact O-N 2.88Å
92S78Confident94.5Very high153 Ų153122.8 Ų122.8100%1.0761%0.613SS**  trans-89.20174.1-54.60000111.5D88D88-S92 PolarHBondContact O-N 2.75Å; D88-S92 PolarHBondContact O-OG 3.05Å

Retrieved 92 of 92 residues in 141.2 ms (Link to these results)