A0A5K4F1M9_SCHMA Loading...

Dynein light chain Tctex-type 3

Acts as one of several non-catalytic accessory components of the cytoplasmic dynein 1 complex that are thought to be involved in linking dynein to cargos and to adapter proteins that regulate dynein function. Cytoplasmic dynein 1 acts as a motor for the intracellular retrograde motility of vesicles and organelles along microtubules. Probably binds BUB3 as part of transport cargo. Required for the efficient progression through mitosis.

AlphaFold DB , UniProt , Accession A0A5K4F1M9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 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
1M47.6Very low48.9Very low231 Ų231111.4 Ų111.4100%1.13864%0.636SS**  01.40-145.7173.8-137.600112.8
2S48.2Very low51.3Low90 Ų90109.5 Ų109.563%0.62962%0.621SS**  trans-88.6-19.9-178.346.50000115
3D48.7Very low54Low124 Ų124109.4 Ų109.466%0.66362%0.617SS**SBendtrans-86.3-16.5-168.5-55.2-32000114
4L41.8Very low56.5Low143 Ų143111.4 Ų111.475%0.74962%0.615SS**Hα-helixtrans-71.4-30.9178.4-113.391.2000113
5N37.5Very low59.1Low129 Ų129105.2 Ų105.269%0.6958%0.58SS**Hα-helixtrans-78-21.5-177.5-76.1-11000113.1T8N5-T8 PolarHBondContact O-OG1 3.4Å
6N38.7Very low61.4Low126 Ų126100.6 Ų100.667%0.67456%0.557SS**Hα-helixtrans-79.8-29.2179.5-15619000112.2S10N6-S10 PolarHBondContact O-N 3.2Å
7V45Very low63.4Low92 Ų92101.1 Ų101.156%0.55855%0.554SS**Hα-helixtrans-70.8-36.1179.7-1790000111.5
8T50Low65.3Low87 Ų87103.3 Ų103.353%0.53456%0.56SS.*Hα-helixtrans-72.7-41.2-179.956.40000112N5 N11N5-T8 PolarHBondContact O-OG1 3.4Å; T8-N11 PolarHBondContact O-N 3.27Å
9G51.8Low66.9Low33 Ų33101.3 Ų101.334%0.3455%0.547SS..Hα-helixtrans-63-43.4177.700000113N11 I12G9-N11 VanDerWaalsContact C-N 3.31Å; G9-N11 PolarHBondContact O-N 3.34Å; G9-I12 PolarHBondContact O-N 3.48Å
10S59.4Low68.5Low69 Ų6996.3 Ų96.348%0.48352%0.52SS..Hα-helixtrans-63.9-34.1-178-173.40000113.2N6N6-S10 PolarHBondContact O-N 3.2Å
11N69.1Low70Confident101 Ų10195.1 Ų95.154%0.5451%0.511SS..Hα-helixtrans-76.8-24.5-175.8-78.7-15.9000113.4T8 G9T8-N11 PolarHBondContact O-N 3.27Å; G9-N11 VanDerWaalsContact C-N 3.31Å; G9-N11 PolarHBondContact O-N 3.34Å
12I78.4Confident72.4Confident89 Ų8987.8 Ų87.846%0.45648%0.483SS..Hα-helixtrans-75.8-34.1178-63.2170.8000110.7G9 K14 K62G9-I12 PolarHBondContact O-N 3.48Å; I12-K14 VanDerWaalsContact C-N 3.32Å; I12-K62 HydrophobicContact CG2-CG 4.43Å
13L85.9Confident74.8Confident108 Ų10884.6 Ų84.657%0.56546%0.458SS*.SBendtrans-80.4-11.7-177.8-60.2-179.2000113.7P63 F64L13-P63 HydrophobicContact CD2-CG 3.98Å; L13-F64 WeakPolarHBondContact O-CZ 3.32Å
14K89.4Confident77.2Confident137 Ų13778.7 Ų78.760%0.59643%0.427SS*.SBendtrans-105.6133.9-179.7-171.2173178179.80110.8I12 S16I12-K14 VanDerWaalsContact C-N 3.32Å; K14-S16 PolarHBondContact O-N 3.2Å
15F95.1Very high79.9Confident19 Ų1976.5 Ų76.58%0.08341%0.411CS..  trans-66.7124.7172.2177.4-110.1000110.3Q17 A20 F64 Y66 C96 V111 A113F15-Q17 HydrophobicContact CD1-CG 4.2Å; F15-Q17 HydrophobicContact CE1-CG 3.95Å; F15-A20 HydrophobicContact CE2-CB 3.86Å; F15-A20 HydrophobicContact CZ-CB 3.53Å; F15-F64 HydrophobicContact CB-CE1 4.23Å; F15-F64 HydrophobicContact CB-CE2 4.33Å; F15-F64 HydrophobicContact CB-CZ 3.94Å; F15-Y66 HydrophobicContact CD2-CE1 4.42Å; F15-Y66 HydrophobicContact CE2-CE1 4.26Å; F15-C96 HydrophobicContact CE1-CB 4.21Å; F15-C96 HydrophobicContact CZ-CB 4.04Å; F15-V111 HydrophobicContact CE2-CG1 4.41Å; F15-V111 HydrophobicContact CZ-CG1 4.26Å; F15-A113 HydrophobicContact CB-CB 4.21Å; F15-A113 HydrophobicContact CD1-CB 4.33Å; F15-A113 HydrophobicContact CD2-CB 3.19Å; F15-A113 HydrophobicContact CE2-CB 3.49Å; F15-A113 VanDerWaalsContact CE2-CB 3.49Å; F15-A113 HydrophobicContact CG-CB 3.65Å; F15-A113 HydrophobicContact CZ-CB 4.17Å
16S95.7Very high82.8Confident31 Ų3176.8 Ų76.822%0.21741%0.406CS..  trans-95.1120.5172.9169.30000109.7K14 E18 E19 A20K14-S16 PolarHBondContact O-N 3.2Å; S16-E18 VanDerWaalsContact C-N 3.34Å; S16-E18 PolarHBondContact OG-N 3.32Å; S16-E18 PolarHBondContact OG-OE2 3.17Å; S16-E19 WeakPolarHBondContact OG-CB 3.44Å; S16-E19 PolarHBondContact OG-N 3.45Å; S16-A20 PolarHBondContact O-N 3.21Å
17Q96.2Very high85.6Confident109 Ų10971.1 Ų71.151%0.50938%0.377SS..Hα-helixtrans-71.8-34.7177.5-65-176.535.400110.9F15 A20 E21F15-Q17 HydrophobicContact CD1-CG 4.2Å; F15-Q17 HydrophobicContact CE1-CG 3.95Å; Q17-A20 PolarHBondContact O-N 3.46Å; Q17-E21 WeakPolarHBondContact O-CB 3.28Å; Q17-E21 PolarHBondContact O-N 2.84Å
18E96.8Very high88.2Confident142 Ų14266.8 Ų66.866%0.66435%0.35SS*.Hα-helixtrans-66.3-43.1-179.3-55.876.7-168.300111.2S16 E21 S22S16-E18 VanDerWaalsContact C-N 3.34Å; S16-E18 PolarHBondContact OG-N 3.32Å; S16-E18 PolarHBondContact OG-OE2 3.17Å; E18-E21 PolarHBondContact O-N 3.03Å; E18-S22 WeakPolarHBondContact O-CB 3.03Å; E18-S22 PolarHBondContact O-N 2.78Å
19E96.5Very high90.4Very high64 Ų6467.2 Ų67.230%0.29935%0.346SS..Hα-helixtrans-64.6-45.4176.6-169.5176.1-179.500111.1S16 S22 I23 L60 K62S16-E19 WeakPolarHBondContact OG-CB 3.44Å; S16-E19 PolarHBondContact OG-N 3.45Å; E19-S22 PolarHBondContact O-N 3.08Å; E19-I23 WeakPolarHBondContact O-CG1 3.27Å; E19-I23 PolarHBondContact O-N 3.18Å; E19-I23 VanDerWaalsContact O-N 3.12Å; E19-L60 HydrophobicContact CG-CD1 4.01Å; E19-L60 HydrophobicContact CG-CD2 4.48Å; E19-L60 VanDerWaalsContact OE1-CD1 3.27Å; E19-L60 WeakPolarHBondContact OE1-CD1 3.37Å; E19-L60 WeakPolarHBondContact OE1-CD2 3.35Å; E19-K62 IonicContact OE2-NZ 2.65Å; E19-K62 PolarHBondContact OE2-NZ 3.13Å
20A98.4Very high92.6Very high1 Ų171.3 Ų71.31%0.00836%0.36CS..Hα-helixtrans-63.7-43.6175.200000112.1F15 S16 Q17 S22 I23 I24 L57 C96F15-A20 HydrophobicContact CE2-CB 3.86Å; F15-A20 HydrophobicContact CZ-CB 3.53Å; S16-A20 PolarHBondContact O-N 3.21Å; Q17-A20 PolarHBondContact O-N 3.46Å; A20-S22 VanDerWaalsContact C-N 3.32Å; A20-S22 PolarHBondContact O-N 3.36Å; A20-I23 PolarHBondContact O-N 2.78Å; A20-I24 WeakPolarHBondContact O-CB 3.38Å; A20-I24 VanDerWaalsContact O-CD1 3.31Å; A20-I24 WeakPolarHBondContact O-CD1 3.38Å; A20-I24 WeakPolarHBondContact O-CG1 3.27Å; A20-I24 PolarHBondContact O-N 2.93Å; A20-L57 HydrophobicContact CB-CD2 4.19Å; A20-C96 HydrophobicContact CB-CB 3.79Å
21E98.6Very high94.5Very high72 Ų7269.3 Ų69.334%0.33634%0.344SS..Hα-helixtrans-60.1-42.9178.1179169.5178.700111.5Q17 E18 I24 K25 V98Q17-E21 WeakPolarHBondContact O-CB 3.28Å; Q17-E21 PolarHBondContact O-N 2.84Å; E18-E21 PolarHBondContact O-N 3.03Å; E21-I24 PolarHBondContact O-N 3Å; E21-K25 HydrophobicContact CG-CD 4.07Å; E21-K25 HydrophobicContact CG-CG 4.41Å; E21-K25 WeakPolarHBondContact O-CB 3.32Å; E21-K25 WeakPolarHBondContact O-CG 3.41Å; E21-K25 PolarHBondContact O-N 2.68Å; E21-K25 WeakPolarHBondContact OE1-CE 3.47Å; E21-K25 IonicContact OE1-NZ 2.6Å; E21-K25 PolarHBondContact OE1-NZ 3.4Å; E21-V98 HydrophobicContact CB-CG2 4.33Å; E21-V98 HydrophobicContact CG-CG2 3.88Å
22S98.6Very high95.9Very high78 Ų7864.5 Ų64.555%0.54532%0.318SS..Hα-helixtrans-60.9-48176.4-175.90000112E18 E19 A20 I24 K26E18-S22 WeakPolarHBondContact O-CB 3.03Å; E18-S22 PolarHBondContact O-N 2.78Å; E19-S22 PolarHBondContact O-N 3.08Å; A20-S22 VanDerWaalsContact C-N 3.32Å; A20-S22 PolarHBondContact O-N 3.36Å; S22-I24 PolarHBondContact O-N 2.65Å; S22-K26 WeakPolarHBondContact O-CB 3.25Å; S22-K26 PolarHBondContact O-N 2.89Å
23I98.7Very high96.7Very high22 Ų2260.8 Ų60.811%0.11330%0.302CS..Hα-helixtrans-58.3-49.3176.3-70.1167.4000110.4E19 A20 K26 C27 D56 L57 L60E19-I23 WeakPolarHBondContact O-CG1 3.27Å; E19-I23 PolarHBondContact O-N 3.18Å; E19-I23 VanDerWaalsContact O-N 3.12Å; A20-I23 PolarHBondContact O-N 2.78Å; I23-K26 PolarHBondContact O-N 3.31Å; I23-C27 VanDerWaalsContact O-CB 3.28Å; I23-C27 WeakPolarHBondContact O-CB 3.36Å; I23-C27 PolarHBondContact O-N 2.85Å; I23-D56 HydrophobicContact CD1-CB 4.46Å; I23-D56 HydrophobicContact CG2-CB 3.77Å; I23-L57 HydrophobicContact CD1-CD2 4.06Å; I23-L57 HydrophobicContact CD1-CG 4.45Å; I23-L60 HydrophobicContact CD1-CD1 3.94Å; I23-L60 HydrophobicContact CD1-CD2 4.22Å; I23-L60 HydrophobicContact CD1-CG 4.32Å
24I98.8Very high97.2Very high0 Ų061.5 Ų61.50%031%0.311CS..Hα-helixtrans-62.5-50.3-177.6-65.5160.4000111A20 E21 S22 K26 C27 I28 C96 V98 V109 V111A20-I24 WeakPolarHBondContact O-CB 3.38Å; A20-I24 VanDerWaalsContact O-CD1 3.31Å; A20-I24 WeakPolarHBondContact O-CD1 3.38Å; A20-I24 WeakPolarHBondContact O-CG1 3.27Å; A20-I24 PolarHBondContact O-N 2.93Å; E21-I24 PolarHBondContact O-N 3Å; S22-I24 PolarHBondContact O-N 2.65Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.36Å; I24-C27 WeakPolarHBondContact O-CB 3.36Å; I24-C27 PolarHBondContact O-N 2.98Å; I24-I28 HydrophobicContact CG2-CD1 3.63Å; I24-I28 HydrophobicContact CG2-CG1 4.28Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.35Å; I24-I28 PolarHBondContact O-N 3.45Å; I24-C96 HydrophobicContact CD1-CB 4.3Å; I24-V98 HydrophobicContact CB-CB 4.42Å; I24-V98 HydrophobicContact CB-CG2 3.95Å; I24-V98 HydrophobicContact CD1-CG2 3.98Å; I24-V98 HydrophobicContact CG2-CB 3.62Å; I24-V98 HydrophobicContact CG2-CG1 4.08Å; I24-V98 HydrophobicContact CG2-CG2 3.7Å; I24-V109 HydrophobicContact CD1-CG1 4.4Å; I24-V109 HydrophobicContact CG1-CG1 4.15Å; I24-V109 HydrophobicContact CG2-CB 3.58Å; I24-V109 HydrophobicContact CG2-CG1 3.68Å; I24-V109 HydrophobicContact CG2-CG2 4.19Å; I24-V111 HydrophobicContact CD1-CB 4.18Å; I24-V111 HydrophobicContact CD1-CG2 3.5Å; I24-V111 VanDerWaalsContact CD1-CG2 3.5Å; I24-V111 HydrophobicContact CG1-CG2 3.89Å
25K98.6Very high97.5Very high98 Ų9858.6 Ų58.643%0.42630%0.302SS..Hα-helixtrans-59.4-45-179.7-77-179.5-179.4172.60111.8E21 C27 I28 Q29 V98E21-K25 HydrophobicContact CG-CD 4.07Å; E21-K25 HydrophobicContact CG-CG 4.41Å; E21-K25 WeakPolarHBondContact O-CB 3.32Å; E21-K25 WeakPolarHBondContact O-CG 3.41Å; E21-K25 PolarHBondContact O-N 2.68Å; E21-K25 WeakPolarHBondContact OE1-CE 3.47Å; E21-K25 IonicContact OE1-NZ 2.6Å; E21-K25 PolarHBondContact OE1-NZ 3.4Å; K25-C27 VanDerWaalsContact C-N 3.33Å; K25-C27 PolarHBondContact O-N 2.95Å; K25-I28 PolarHBondContact O-N 2.89Å; K25-Q29 VanDerWaalsContact O-CB 3.28Å; K25-Q29 WeakPolarHBondContact O-CB 3.39Å; K25-Q29 PolarHBondContact O-N 3.13Å; K25-V98 HydrophobicContact CG-CG1 3.84Å
26K98.3Very high97.6Very high134 Ų13461.3 Ų61.358%0.58332%0.321SS*.Hα-helixtrans-60.6-44.6176.5-179.3-180175.9-174.30111.2S22 I23 I24 Q29 N30S22-K26 WeakPolarHBondContact O-CB 3.25Å; S22-K26 PolarHBondContact O-N 2.89Å; I23-K26 PolarHBondContact O-N 3.31Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.36Å; K26-Q29 PolarHBondContact O-N 3.48Å; K26-N30 WeakPolarHBondContact O-CB 3.29Å; K26-N30 PolarHBondContact O-N 3.28Å; K26-N30 PolarHBondContact O-ND2 2.94Å
27C98.4Very high97.7Very high8 Ų862 Ų625%0.05432%0.319CS..Hα-helixtrans-61.1-50.8179.2-1680000111.8I23 I24 K25 Q29 N30 I31 N52 C53I23-C27 VanDerWaalsContact O-CB 3.28Å; I23-C27 WeakPolarHBondContact O-CB 3.36Å; I23-C27 PolarHBondContact O-N 2.85Å; I24-C27 WeakPolarHBondContact O-CB 3.36Å; I24-C27 PolarHBondContact O-N 2.98Å; K25-C27 VanDerWaalsContact C-N 3.33Å; K25-C27 PolarHBondContact O-N 2.95Å; C27-Q29 PolarHBondContact O-N 2.76Å; C27-N30 PolarHBondContact O-N 3.45Å; C27-I31 WeakPolarHBondContact O-CB 3.45Å; C27-I31 WeakPolarHBondContact O-CD1 3.45Å; C27-I31 VanDerWaalsContact O-CG1 3.32Å; C27-I31 WeakPolarHBondContact O-CG1 3.24Å; C27-I31 PolarHBondContact O-N 3.13Å; C27-I31 VanDerWaalsContact O-N 3.12Å; C27-I31 WeakPolarHBondContact SG-CD1 3.31Å; C27-N52 WeakPolarHBondContact SG-CB 3.46Å; C27-C53 VanDerWaalsContact CB-SG 3.52Å; C27-C53 VanDerWaalsContact SG-SG 3.6Å
28I98.5Very high97.7Very high0 Ų059.3 Ų59.30%031%0.311CS..Hα-helixtrans-61-46.9178.6-60.8165.9000110.8I24 K25 N30 I31 I32 I49 V98 W100 C107 V109I24-I28 HydrophobicContact CG2-CD1 3.63Å; I24-I28 HydrophobicContact CG2-CG1 4.28Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.35Å; I24-I28 PolarHBondContact O-N 3.45Å; K25-I28 PolarHBondContact O-N 2.89Å; I28-N30 VanDerWaalsContact C-N 3.33Å; I28-N30 PolarHBondContact O-N 3.16Å; I28-I31 PolarHBondContact O-N 2.82Å; I28-I32 HydrophobicContact CG2-CD1 3.96Å; I28-I32 HydrophobicContact CG2-CG1 4.3Å; I28-I32 PolarHBondContact O-N 3.43Å; I28-I49 HydrophobicContact CG1-CD1 4.35Å; I28-I49 HydrophobicContact CG1-CG2 4.44Å; I28-V98 HydrophobicContact CD1-CG1 4.19Å; I28-W100 HydrophobicContact CB-CG 4.4Å; I28-W100 HydrophobicContact CD1-CB 4.03Å; I28-W100 HydrophobicContact CG2-CB 3.97Å; I28-W100 HydrophobicContact CG2-CD2 3.36Å; I28-W100 HydrophobicContact CG2-CE3 3.54Å; I28-W100 HydrophobicContact CG2-CG 3.57Å; I28-W100 HydrophobicContact CG2-CZ2 4.45Å; I28-W100 HydrophobicContact CG2-CZ3 4.17Å; I28-C107 HydrophobicContact CG2-CB 4.28Å; I28-V109 HydrophobicContact CD1-CB 4.25Å; I28-V109 HydrophobicContact CD1-CG2 3.69Å; I28-V109 HydrophobicContact CG1-CG2 3.98Å
29Q97.7Very high97.6Very high96 Ų9656.8 Ų56.845%0.44930%0.302SS..Hα-helixtrans-61.8-41.1-178.5-175.760.837.600112.2K25 K26 C27 G33K25-Q29 VanDerWaalsContact O-CB 3.28Å; K25-Q29 WeakPolarHBondContact O-CB 3.39Å; K25-Q29 PolarHBondContact O-N 3.13Å; K26-Q29 PolarHBondContact O-N 3.48Å; C27-Q29 PolarHBondContact O-N 2.76Å; Q29-G33 VanDerWaalsContact O-CA 3.23Å; Q29-G33 WeakPolarHBondContact O-CA 3.24Å; Q29-G33 PolarHBondContact O-N 3.27Å; Q29-G33 VanDerWaalsContact O-N 3.13Å
30N98Very high97.6Very high119 Ų11960 Ų6064%0.63632%0.317SS*.Hα-helixtrans-70.9-31.6-179.4-72.2-10.8000112.9K26 C27 I28K26-N30 WeakPolarHBondContact O-CB 3.29Å; K26-N30 PolarHBondContact O-N 3.28Å; K26-N30 PolarHBondContact O-ND2 2.94Å; C27-N30 PolarHBondContact O-N 3.45Å; I28-N30 VanDerWaalsContact C-N 3.33Å; I28-N30 PolarHBondContact O-N 3.16Å
31I98.3Very high97.5Very high27 Ų2762 Ų6214%0.13833%0.331CS..Hα-helixtrans-92.1-47.4-173.9-66.9164.9000111.5C27 I28 W45 T48 I49C27-I31 WeakPolarHBondContact O-CB 3.45Å; C27-I31 WeakPolarHBondContact O-CD1 3.45Å; C27-I31 VanDerWaalsContact O-CG1 3.32Å; C27-I31 WeakPolarHBondContact O-CG1 3.24Å; C27-I31 PolarHBondContact O-N 3.13Å; C27-I31 VanDerWaalsContact O-N 3.12Å; C27-I31 WeakPolarHBondContact SG-CD1 3.31Å; I28-I31 PolarHBondContact O-N 2.82Å; I31-W45 HydrophobicContact CG2-CB 3.79Å; I31-W45 VanDerWaalsContact CG2-CD1 3.44Å; I31-W45 HydrophobicContact CG2-CG 3.81Å; I31-W45 PolarHBondContact O-NE1 3.12Å; I31-T48 HydrophobicContact CD1-CG2 3.57Å; I31-T48 HydrophobicContact CG1-CG2 4.02Å; I31-I49 HydrophobicContact CB-CG1 4.17Å; I31-I49 HydrophobicContact CD1-CB 4.28Å; I31-I49 HydrophobicContact CD1-CG1 3.51Å; I31-I49 HydrophobicContact CG1-CG1 4.45Å; I31-I49 HydrophobicContact CG2-CD1 4.4Å; I31-I49 HydrophobicContact CG2-CG1 4.12Å
32I98.1Very high97.4Very high0 Ų059 Ų590%032%0.318CS..THydrogen-bonded Turntrans-92.2-49.7-176.9-49.7-173.9000110.6I28 T34 N35 W45 I49 I72 W100 V105 C107I28-I32 HydrophobicContact CG2-CD1 3.96Å; I28-I32 HydrophobicContact CG2-CG1 4.3Å; I28-I32 PolarHBondContact O-N 3.43Å; I32-T34 PolarHBondContact O-N 3.48Å; I32-N35 VanDerWaalsContact O-CB 3.24Å; I32-N35 WeakPolarHBondContact O-CB 3.4Å; I32-N35 PolarHBondContact O-N 2.85Å; I32-N35 PolarHBondContact O-ND2 3.3Å; I32-W45 HydrophobicContact CD1-CE3 4.39Å; I32-W45 HydrophobicContact CG1-CB 4.16Å; I32-W45 HydrophobicContact CG1-CD2 4.09Å; I32-W45 HydrophobicContact CG1-CE3 4.15Å; I32-W45 HydrophobicContact CG1-CG 4.13Å; I32-W45 HydrophobicContact CG2-CD2 4.44Å; I32-W45 HydrophobicContact CG2-CE3 4.05Å; I32-W45 HydrophobicContact CG2-CH2 4.28Å; I32-W45 HydrophobicContact CG2-CZ3 3.98Å; I32-I49 HydrophobicContact CD1-CD1 3.81Å; I32-I49 HydrophobicContact CG1-CD1 3.97Å; I32-I72 HydrophobicContact CD1-CD1 3.9Å; I32-W100 HydrophobicContact CB-CH2 3.82Å; I32-W100 HydrophobicContact CB-CZ3 3.95Å; I32-W100 HydrophobicContact CD1-CZ3 4.2Å; I32-W100 HydrophobicContact CG2-CH2 3.66Å; I32-W100 HydrophobicContact CG2-CZ3 3.66Å; I32-V105 HydrophobicContact CG2-CG2 4.4Å; I32-C107 HydrophobicContact CD1-CB 3.95Å
33G95.9Very high97.4Very high11 Ų1162.4 Ų62.411%0.11332%0.323CS..THydrogen-bonded Turntrans49.4-126.3-179.800000113Q29 W100 N102Q29-G33 VanDerWaalsContact O-CA 3.23Å; Q29-G33 WeakPolarHBondContact O-CA 3.24Å; Q29-G33 PolarHBondContact O-N 3.27Å; Q29-G33 VanDerWaalsContact O-N 3.13Å; G33-W100 WeakPolarHBondContact O-CH2 3.48Å; G33-W100 WeakPolarHBondContact O-CZ2 3.44Å; G33-N102 PolarHBondContact O-ND2 3.17Å
34T96.3Very high97.4Very high124 Ų12466.6 Ų66.676%0.76134%0.342SS*.THydrogen-bonded Turntrans-97.411.8177.757.80000113.4I32I32-T34 PolarHBondContact O-N 3.48Å
35N96.9Very high97.4Very high75 Ų7567.8 Ų67.840%0.40135%0.346SS..PPolyproline II helixtrans-68.6143.7-172.8-67-56.2000112.4I32 W45 N102I32-N35 VanDerWaalsContact O-CB 3.24Å; I32-N35 WeakPolarHBondContact O-CB 3.4Å; I32-N35 PolarHBondContact O-N 2.85Å; I32-N35 PolarHBondContact O-ND2 3.3Å; N35-W45 HydrophobicContact CB-CH2 3.81Å; N35-W45 HydrophobicContact CB-CZ2 3.51Å; N35-N102 PolarHBondContact O-ND2 2.81Å; N35-N102 VanDerWaalsContact O-ND2 3.07Å
36P96.3Very high97.4Very high76 Ų7664.2 Ų64.249%0.49434%0.336SS..PPolyproline II helixtrans-73.7146.5176.931.5-35.2000111.9T38 W45P36-T38 PolarHBondContact O-N 3.43Å; P36-W45 VanDerWaalsContact O-CH2 3.3Å; P36-W45 WeakPolarHBondContact O-CH2 3.07Å
37Y96.9Very high97.4Very high45 Ų4565.7 Ų65.718%0.17634%0.338CS..PPolyproline II helixtrans-65129.8177.8-177.2-85.4000111.5N39 A42 I72 Q74 V105Y37-N39 PolarHBondContact OH-OD1 3.48Å; Y37-A42 HydrophobicContact CD2-CB 4.06Å; Y37-A42 HydrophobicContact CE2-CB 3.45Å; Y37-A42 VanDerWaalsContact CE2-CB 3.45Å; Y37-I72 HydrophobicContact CD2-CG2 4.49Å; Y37-I72 HydrophobicContact CE2-CG2 4.25Å; Y37-Q74 HydrophobicContact CD1-CB 3.76Å; Y37-Q74 HydrophobicContact CD1-CG 3.72Å; Y37-Q74 HydrophobicContact CD2-CB 4.01Å; Y37-Q74 HydrophobicContact CE1-CB 3.89Å; Y37-Q74 HydrophobicContact CE1-CG 4.26Å; Y37-Q74 HydrophobicContact CE2-CB 4.1Å; Y37-Q74 HydrophobicContact CG-CB 3.85Å; Y37-Q74 HydrophobicContact CG-CG 3.88Å; Y37-V105 HydrophobicContact CD2-CG2 4.09Å; Y37-V105 HydrophobicContact CG-CG2 4.49Å
38T96.4Very high97.4Very high54 Ų5467.1 Ų67.133%0.33135%0.346SS..  trans-134.3157.6157.269.20000108.3P36 E40 S41 A42P36-T38 PolarHBondContact O-N 3.43Å; T38-E40 PolarHBondContact O-N 2.93Å; T38-S41 PolarHBondContact O-N 2.79Å; T38-S41 WeakPolarHBondContact OG1-CB 3.24Å; T38-S41 PolarHBondContact OG1-N 2.83Å; T38-S41 PolarHBondContact OG1-OG 2.89Å; T38-A42 WeakPolarHBondContact O-CB 3.16Å; T38-A42 PolarHBondContact O-N 3.45Å
39N94.2Very high97.4Very high89 Ų8967.1 Ų67.148%0.47635%0.346SS..Hα-helixtrans-63.8-34.1179.2-74.7-56.8000111.9Y37 K43Y37-N39 PolarHBondContact OH-OD1 3.48Å; N39-K43 WeakPolarHBondContact O-CD 3.21Å; N39-K43 VanDerWaalsContact O-CG 3.24Å; N39-K43 WeakPolarHBondContact O-CG 3.36Å; N39-K43 PolarHBondContact O-N 3.38Å
40E97Very high97.5Very high132 Ų13264.2 Ų64.262%0.61733%0.334SS*.Hα-helixtrans-70-50.7179.5-63.863.9-135.500110.2T38 A42 K43 E44T38-E40 PolarHBondContact O-N 2.93Å; E40-A42 PolarHBondContact O-N 3Å; E40-K43 PolarHBondContact O-N 2.92Å; E40-E44 PolarHBondContact O-N 3Å
41S96.7Very high97.5Very high43 Ų4361.4 Ų61.430%0.30132%0.319SS..Hα-helixtrans-64.5-40.9178.9-60.40000111.5T38 K43 E44 W45T38-S41 PolarHBondContact O-N 2.79Å; T38-S41 WeakPolarHBondContact OG1-CB 3.24Å; T38-S41 PolarHBondContact OG1-N 2.83Å; T38-S41 PolarHBondContact OG1-OG 2.89Å; S41-K43 VanDerWaalsContact C-N 3.33Å; S41-K43 PolarHBondContact O-N 2.86Å; S41-E44 PolarHBondContact O-N 3.48Å; S41-W45 VanDerWaalsContact CB-CZ2 3.46Å; S41-W45 WeakPolarHBondContact O-CB 3.25Å; S41-W45 PolarHBondContact O-N 3.11Å
42A97.5Very high97.5Very high7 Ų763.6 Ų63.66%0.05833%0.331CS..Hα-helixtrans-61.5-38.7178.800000113Y37 T38 E40 W45 A46 I72Y37-A42 HydrophobicContact CD2-CB 4.06Å; Y37-A42 HydrophobicContact CE2-CB 3.45Å; Y37-A42 VanDerWaalsContact CE2-CB 3.45Å; T38-A42 WeakPolarHBondContact O-CB 3.16Å; T38-A42 PolarHBondContact O-N 3.45Å; E40-A42 PolarHBondContact O-N 3Å; A42-W45 HydrophobicContact CB-CE3 4.46Å; A42-A46 WeakPolarHBondContact O-CB 3.16Å; A42-A46 PolarHBondContact O-N 3.41Å; A42-I72 HydrophobicContact CB-CG2 4.01Å
43K97.8Very high97.6Very high150 Ų15063.6 Ų63.665%0.65233%0.331SS*.Hα-helixtrans-63.1-47.1174.5-72.9168.7-172174.80111.3N39 E40 S41 A46 R47N39-K43 WeakPolarHBondContact O-CD 3.21Å; N39-K43 VanDerWaalsContact O-CG 3.24Å; N39-K43 WeakPolarHBondContact O-CG 3.36Å; N39-K43 PolarHBondContact O-N 3.38Å; E40-K43 PolarHBondContact O-N 2.92Å; S41-K43 VanDerWaalsContact C-N 3.33Å; S41-K43 PolarHBondContact O-N 2.86Å; K43-A46 PolarHBondContact O-N 3.46Å; K43-R47 PolarHBondContact O-N 3.05Å; K43-R47 VanDerWaalsContact O-N 3.15Å
44E98.5Very high97.7Very high111 Ų11168.6 Ų68.652%0.51935%0.347SS..Hα-helixtrans-66.6-42.4-179.5-175.556.1-154.800111.9E40 S41 R47 T48E40-E44 PolarHBondContact O-N 3Å; S41-E44 PolarHBondContact O-N 3.48Å; E44-R47 PolarHBondContact O-N 3.3Å; E44-T48 WeakPolarHBondContact O-CB 3.14Å; E44-T48 PolarHBondContact O-N 2.98Å; E44-T48 PolarHBondContact O-OG1 3.4Å; E44-T48 PolarHBondContact OE1-OG1 3.44Å
45W98.6Very high97.8Very high24 Ų2464.8 Ų64.89%0.09133%0.325CS..Hα-helixtrans-61.1-47.4175.7-62.5-24.1000111.7I31 I32 N35 P36 S41 A42 R47 T48 I49 I72 V105I31-W45 HydrophobicContact CG2-CB 3.79Å; I31-W45 VanDerWaalsContact CG2-CD1 3.44Å; I31-W45 HydrophobicContact CG2-CG 3.81Å; I31-W45 PolarHBondContact O-NE1 3.12Å; I32-W45 HydrophobicContact CD1-CE3 4.39Å; I32-W45 HydrophobicContact CG1-CB 4.16Å; I32-W45 HydrophobicContact CG1-CD2 4.09Å; I32-W45 HydrophobicContact CG1-CE3 4.15Å; I32-W45 HydrophobicContact CG1-CG 4.13Å; I32-W45 HydrophobicContact CG2-CD2 4.44Å; I32-W45 HydrophobicContact CG2-CE3 4.05Å; I32-W45 HydrophobicContact CG2-CH2 4.28Å; I32-W45 HydrophobicContact CG2-CZ3 3.98Å; N35-W45 HydrophobicContact CB-CH2 3.81Å; N35-W45 HydrophobicContact CB-CZ2 3.51Å; P36-W45 VanDerWaalsContact O-CH2 3.3Å; P36-W45 WeakPolarHBondContact O-CH2 3.07Å; S41-W45 VanDerWaalsContact CB-CZ2 3.46Å; S41-W45 WeakPolarHBondContact O-CB 3.25Å; S41-W45 PolarHBondContact O-N 3.11Å; A42-W45 HydrophobicContact CB-CE3 4.46Å; W45-R47 VanDerWaalsContact C-N 3.31Å; W45-R47 PolarHBondContact O-N 3.47Å; W45-T48 PolarHBondContact O-N 2.9Å; W45-I49 HydrophobicContact CB-CD1 4.39Å; W45-I49 VanDerWaalsContact O-CB 3.27Å; W45-I49 WeakPolarHBondContact O-CB 3.46Å; W45-I49 WeakPolarHBondContact O-CD1 3.34Å; W45-I49 WeakPolarHBondContact O-CG1 3.33Å; W45-I49 PolarHBondContact O-N 3.12Å; W45-I72 HydrophobicContact CB-CD1 3.79Å; W45-V105 HydrophobicContact CZ3-CG2 4.05Å
46A98.5Very high97.9Very high24 Ų2463.8 Ų63.820%0.19832%0.32CS..Hα-helixtrans-58.5-45.3179.400000111.4A42 K43 V50 I72A42-A46 WeakPolarHBondContact O-CB 3.16Å; A42-A46 PolarHBondContact O-N 3.41Å; K43-A46 PolarHBondContact O-N 3.46Å; A46-V50 WeakPolarHBondContact O-CG2 3.4Å; A46-V50 PolarHBondContact O-N 3.18Å; A46-V50 VanDerWaalsContact O-N 3.14Å; A46-I72 HydrophobicContact CB-CD1 3.94Å; A46-I72 HydrophobicContact CB-CG1 4.42Å
47R98.7Very high98Very high165 Ų16560.2 Ų60.262%0.62330%0.297SS*.Hα-helixtrans-60.7-52.2175.9-174.9-177.5-175.1115.53.3111.6K43 E44 W45 I49 V50 D51K43-R47 PolarHBondContact O-N 3.05Å; K43-R47 VanDerWaalsContact O-N 3.15Å; E44-R47 PolarHBondContact O-N 3.3Å; W45-R47 VanDerWaalsContact C-N 3.31Å; W45-R47 PolarHBondContact O-N 3.47Å; R47-I49 VanDerWaalsContact C-N 3.3Å; R47-I49 PolarHBondContact O-N 3.38Å; R47-V50 WeakPolarHBondContact O-CG2 3.39Å; R47-V50 PolarHBondContact O-N 3.42Å; R47-D51 PolarHBondContact O-N 2.94Å; R47-D51 VanDerWaalsContact O-N 3.11Å
48T98.7Very high98Very high37 Ų3762.2 Ų62.223%0.22731%0.313CS..Hα-helixtrans-62.5-39.2-177.5-54.50000111.3I31 E44 W45 N52I31-T48 HydrophobicContact CD1-CG2 3.57Å; I31-T48 HydrophobicContact CG1-CG2 4.02Å; E44-T48 WeakPolarHBondContact O-CB 3.14Å; E44-T48 PolarHBondContact O-N 2.98Å; E44-T48 PolarHBondContact O-OG1 3.4Å; E44-T48 PolarHBondContact OE1-OG1 3.44Å; W45-T48 PolarHBondContact O-N 2.9Å; T48-N52 VanDerWaalsContact O-CB 3.24Å; T48-N52 WeakPolarHBondContact O-CB 3.37Å; T48-N52 VanDerWaalsContact O-CG 3.28Å; T48-N52 PolarHBondContact O-N 3.49Å
49I98.9Very high98.1Very high0 Ų066.6 Ų66.60%033%0.328CS..Hα-helixtrans-63.4-50.1178.6-73.3163.6000110.9I28 I31 I32 W45 R47 D51 C53 C70 I72 V109I28-I49 HydrophobicContact CG1-CD1 4.35Å; I28-I49 HydrophobicContact CG1-CG2 4.44Å; I31-I49 HydrophobicContact CB-CG1 4.17Å; I31-I49 HydrophobicContact CD1-CB 4.28Å; I31-I49 HydrophobicContact CD1-CG1 3.51Å; I31-I49 HydrophobicContact CG1-CG1 4.45Å; I31-I49 HydrophobicContact CG2-CD1 4.4Å; I31-I49 HydrophobicContact CG2-CG1 4.12Å; I32-I49 HydrophobicContact CD1-CD1 3.81Å; I32-I49 HydrophobicContact CG1-CD1 3.97Å; W45-I49 HydrophobicContact CB-CD1 4.39Å; W45-I49 VanDerWaalsContact O-CB 3.27Å; W45-I49 WeakPolarHBondContact O-CB 3.46Å; W45-I49 WeakPolarHBondContact O-CD1 3.34Å; W45-I49 WeakPolarHBondContact O-CG1 3.33Å; W45-I49 PolarHBondContact O-N 3.12Å; R47-I49 VanDerWaalsContact C-N 3.3Å; R47-I49 PolarHBondContact O-N 3.38Å; I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 3.47Å; I49-C53 WeakPolarHBondContact O-CB 3.41Å; I49-C53 PolarHBondContact O-N 2.93Å; I49-C53 PolarHBondContact O-SG 2.92Å; I49-C70 HydrophobicContact CG2-CB 4.28Å; I49-I72 HydrophobicContact CD1-CD1 4.16Å; I49-V109 HydrophobicContact CG2-CG2 3.7Å
50V98.7Very high98.2Very high35 Ų3565 Ų6521%0.21232%0.319CS..Hα-helixtrans-65.4-38.7-177.7-62.20000111.7A46 R47 R54 V68 C70A46-V50 WeakPolarHBondContact O-CG2 3.4Å; A46-V50 PolarHBondContact O-N 3.18Å; A46-V50 VanDerWaalsContact O-N 3.14Å; R47-V50 WeakPolarHBondContact O-CG2 3.39Å; R47-V50 PolarHBondContact O-N 3.42Å; V50-R54 WeakPolarHBondContact O-CB 3.45Å; V50-R54 PolarHBondContact O-N 2.8Å; V50-V68 HydrophobicContact CB-CB 4.31Å; V50-V68 HydrophobicContact CB-CG1 4.24Å; V50-V68 HydrophobicContact CG1-CB 4.47Å; V50-V68 HydrophobicContact CG1-CG1 4.11Å; V50-C70 HydrophobicContact CG1-CB 3.47Å; V50-C70 VanDerWaalsContact CG1-CB 3.47Å
51D98.7Very high98.1Very high60 Ų6061.9 Ų61.932%0.32132%0.322SS..Hα-helixtrans-69.6-44.9179.1-84.4-36.5000112.4R47 I49 R54 S55R47-D51 PolarHBondContact O-N 2.94Å; R47-D51 VanDerWaalsContact O-N 3.11Å; I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 3.47Å; D51-R54 PolarHBondContact O-N 3.26Å; D51-R54 IonicContact OD1-CZ 3.97Å; D51-R54 IonicContact OD1-NE 3.84Å; D51-R54 IonicContact OD1-NH2 3.16Å; D51-R54 PolarHBondContact OD1-NH2 3.37Å; D51-R54 VanDerWaalsContact OD1-NH2 3.16Å; D51-S55 VanDerWaalsContact O-CB 3.25Å; D51-S55 WeakPolarHBondContact O-CB 3.41Å; D51-S55 PolarHBondContact O-N 3.28Å
52N98.7Very high98Very high73 Ų7361.6 Ų61.639%0.3932%0.315SS..Hα-helixtrans-67.5-45.8178.7-75.2-3.6000111.7C27 T48 R54 S55 D56C27-N52 WeakPolarHBondContact SG-CB 3.46Å; T48-N52 VanDerWaalsContact O-CB 3.24Å; T48-N52 WeakPolarHBondContact O-CB 3.37Å; T48-N52 VanDerWaalsContact O-CG 3.28Å; T48-N52 PolarHBondContact O-N 3.49Å; N52-R54 PolarHBondContact O-N 2.81Å; N52-S55 PolarHBondContact O-N 3.45Å; N52-D56 WeakPolarHBondContact O-CB 3.32Å; N52-D56 PolarHBondContact O-N 2.88Å
53C98.8Very high97.9Very high0 Ų063.2 Ų63.20%033%0.326CS..Hα-helixtrans-58.4-48.2175.4-75.50000111C27 I49 S55 D56 L57 V68C27-C53 VanDerWaalsContact CB-SG 3.52Å; C27-C53 VanDerWaalsContact SG-SG 3.6Å; I49-C53 WeakPolarHBondContact O-CB 3.41Å; I49-C53 PolarHBondContact O-N 2.93Å; I49-C53 PolarHBondContact O-SG 2.92Å; C53-S55 PolarHBondContact O-N 2.82Å; C53-D56 PolarHBondContact O-N 3.29Å; C53-L57 WeakPolarHBondContact O-CB 3.49Å; C53-L57 WeakPolarHBondContact O-CD1 3.21Å; C53-L57 WeakPolarHBondContact O-CG 3.44Å; C53-L57 PolarHBondContact O-N 3.35Å; C53-V68 HydrophobicContact CB-CG1 3.93Å; C53-V68 HydrophobicContact CB-CG2 4.35Å
54R98.6Very high97.9Very high116 Ų11656.7 Ų56.744%0.43830%0.297SS..Hα-helixtrans-61.4-44.8178-178.8-174.459.177.92.2111.3V50 D51 N52 L57 V58 V68V50-R54 WeakPolarHBondContact O-CB 3.45Å; V50-R54 PolarHBondContact O-N 2.8Å; D51-R54 PolarHBondContact O-N 3.26Å; D51-R54 IonicContact OD1-CZ 3.97Å; D51-R54 IonicContact OD1-NE 3.84Å; D51-R54 IonicContact OD1-NH2 3.16Å; D51-R54 PolarHBondContact OD1-NH2 3.37Å; D51-R54 VanDerWaalsContact OD1-NH2 3.16Å; N52-R54 PolarHBondContact O-N 2.81Å; R54-L57 PolarHBondContact O-N 3.38Å; R54-V58 VanDerWaalsContact O-CG2 3.29Å; R54-V58 WeakPolarHBondContact O-CG2 3.28Å; R54-V58 PolarHBondContact O-N 2.81Å; R54-V68 HydrophobicContact CB-CG2 3.93Å
55S98.6Very high97.9Very high44 Ų4456.3 Ų56.331%0.30829%0.294SS..Hα-helixtrans-59.8-48178.7-173.80000111.2D51 N52 C53 V58 K59D51-S55 VanDerWaalsContact O-CB 3.25Å; D51-S55 WeakPolarHBondContact O-CB 3.41Å; D51-S55 PolarHBondContact O-N 3.28Å; N52-S55 PolarHBondContact O-N 3.45Å; C53-S55 PolarHBondContact O-N 2.82Å; S55-V58 PolarHBondContact O-N 2.85Å; S55-K59 WeakPolarHBondContact O-CG 3.31Å; S55-K59 PolarHBondContact O-N 3.39Å; S55-K59 WeakPolarHBondContact OG-CE 3.31Å
56D98.6Very high97.9Very high54 Ų5456.4 Ų56.429%0.28929%0.294SS..Hα-helixtrans-68.7-36.5-178.8-73.5-10.4000112.4I23 N52 C53 K59 L60I23-D56 HydrophobicContact CD1-CB 4.46Å; I23-D56 HydrophobicContact CG2-CB 3.77Å; N52-D56 WeakPolarHBondContact O-CB 3.32Å; N52-D56 PolarHBondContact O-N 2.88Å; C53-D56 PolarHBondContact O-N 3.29Å; D56-K59 PolarHBondContact O-N 3.15Å; D56-K59 IonicContact OD1-NZ 2.78Å; D56-K59 PolarHBondContact OD1-NZ 2.96Å; D56-L60 PolarHBondContact O-N 2.6Å
57L98.4Very high97.9Very high1 Ų159 Ų591%0.00531%0.307CS..Hα-helixtrans-63.2-42.7172.1-72.6164000112.2A20 I23 C53 R54 K59 L60 Y66 V68 V111A20-L57 HydrophobicContact CB-CD2 4.19Å; I23-L57 HydrophobicContact CD1-CD2 4.06Å; I23-L57 HydrophobicContact CD1-CG 4.45Å; C53-L57 WeakPolarHBondContact O-CB 3.49Å; C53-L57 WeakPolarHBondContact O-CD1 3.21Å; C53-L57 WeakPolarHBondContact O-CG 3.44Å; C53-L57 PolarHBondContact O-N 3.35Å; R54-L57 PolarHBondContact O-N 3.38Å; L57-K59 VanDerWaalsContact C-N 3.31Å; L57-K59 PolarHBondContact O-N 3.14Å; L57-L60 HydrophobicContact CD2-CD1 4.2Å; L57-L60 VanDerWaalsContact O-CB 3.27Å; L57-L60 WeakPolarHBondContact O-CB 3.13Å; L57-L60 WeakPolarHBondContact O-CG 3.46Å; L57-L60 PolarHBondContact O-N 3.46Å; L57-Y66 HydrophobicContact CB-CD1 4.07Å; L57-Y66 HydrophobicContact CB-CD2 3.8Å; L57-Y66 HydrophobicContact CB-CE1 4.08Å; L57-Y66 HydrophobicContact CB-CE2 3.81Å; L57-Y66 HydrophobicContact CB-CG 3.92Å; L57-Y66 HydrophobicContact CD1-CD1 4.02Å; L57-Y66 HydrophobicContact CD1-CG 4.23Å; L57-Y66 HydrophobicContact CD2-CD1 4.39Å; L57-Y66 HydrophobicContact CD2-CE1 4.05Å; L57-Y66 HydrophobicContact CG-CD1 4.4Å; L57-Y66 HydrophobicContact CG-CE1 4.45Å; L57-Y66 WeakPolarHBondContact O-CE2 3.5Å; L57-V68 HydrophobicContact CD1-CG2 4.09Å; L57-V111 HydrophobicContact CD1-CB 4.4Å; L57-V111 HydrophobicContact CD1-CG1 3.59Å; L57-V111 HydrophobicContact CD1-CG2 3.85Å
58V97.7Very high97.9Very high87 Ų8752.3 Ų52.353%0.52729%0.285SS..Hα-helixtrans-64.7-36.2176.5169.10000111.3R54 S55 L60 G61 Y66R54-V58 VanDerWaalsContact O-CG2 3.29Å; R54-V58 WeakPolarHBondContact O-CG2 3.28Å; R54-V58 PolarHBondContact O-N 2.81Å; S55-V58 PolarHBondContact O-N 2.85Å; V58-L60 PolarHBondContact O-N 2.87Å; V58-G61 PolarHBondContact O-N 3.41Å; V58-G61 VanDerWaalsContact O-N 3.08Å; V58-Y66 HydrophobicContact CG2-CD2 4.09Å
59K97.6Very high97.9Very high147 Ų14754.2 Ų54.264%0.63929%0.294SS*.Hα-helixtrans-63.7-18.4176.8-71.9170.6-160.2157.50113.6S55 D56 L57 G61S55-K59 WeakPolarHBondContact O-CG 3.31Å; S55-K59 PolarHBondContact O-N 3.39Å; S55-K59 WeakPolarHBondContact OG-CE 3.31Å; D56-K59 PolarHBondContact O-N 3.15Å; D56-K59 IonicContact OD1-NZ 2.78Å; D56-K59 PolarHBondContact OD1-NZ 2.96Å; L57-K59 VanDerWaalsContact C-N 3.31Å; L57-K59 PolarHBondContact O-N 3.14Å; K59-G61 PolarHBondContact O-N 2.82Å; K59-G61 VanDerWaalsContact O-N 3.17Å
60L95.9Very high97.9Very high56 Ų5655.2 Ų55.229%0.29330%0.3SS..THydrogen-bonded Turntrans-64-15.6173.7-56-179.6000112.6E19 I23 D56 L57 V58 K62E19-L60 HydrophobicContact CG-CD1 4.01Å; E19-L60 HydrophobicContact CG-CD2 4.48Å; E19-L60 VanDerWaalsContact OE1-CD1 3.27Å; E19-L60 WeakPolarHBondContact OE1-CD1 3.37Å; E19-L60 WeakPolarHBondContact OE1-CD2 3.35Å; I23-L60 HydrophobicContact CD1-CD1 3.94Å; I23-L60 HydrophobicContact CD1-CD2 4.22Å; I23-L60 HydrophobicContact CD1-CG 4.32Å; D56-L60 PolarHBondContact O-N 2.6Å; L57-L60 HydrophobicContact CD2-CD1 4.2Å; L57-L60 VanDerWaalsContact O-CB 3.27Å; L57-L60 WeakPolarHBondContact O-CB 3.13Å; L57-L60 WeakPolarHBondContact O-CG 3.46Å; L57-L60 PolarHBondContact O-N 3.46Å; V58-L60 PolarHBondContact O-N 2.87Å; L60-K62 HydrophobicContact CB-CD 4.44Å; L60-K62 HydrophobicContact CB-CG 4.13Å; L60-K62 PolarHBondContact O-N 3.31Å
61G95.1Very high97.9Very high65 Ų6555.8 Ų55.867%0.6730%0.304SS*.  trans66.119178.100000113.6V58 K59V58-G61 PolarHBondContact O-N 3.41Å; V58-G61 VanDerWaalsContact O-N 3.08Å; K59-G61 PolarHBondContact O-N 2.82Å; K59-G61 VanDerWaalsContact O-N 3.17Å
62K95.6Very high97.8Very high37 Ų3754.3 Ų54.316%0.16130%0.296CS..  trans-86.8148.4179.6-65.2-173.7175.3-176.50111I12 E19 L60 F64I12-K62 HydrophobicContact CG2-CG 4.43Å; E19-K62 IonicContact OE2-NZ 2.65Å; E19-K62 PolarHBondContact OE2-NZ 3.13Å; L60-K62 HydrophobicContact CB-CD 4.44Å; L60-K62 HydrophobicContact CB-CG 4.13Å; L60-K62 PolarHBondContact O-N 3.31Å; K62-F64 HydrophobicContact CB-CD2 3.58Å; K62-F64 HydrophobicContact CB-CE2 3.82Å; K62-F64 HydrophobicContact CD-CE2 4.28Å; K62-F64 PolarHBondContact O-N 3.48Å
63P95.9Very high97.7Very high42 Ų4252 Ų5227%0.27328%0.284SS..SBendtrans-80.564.2-172.634.5-37000112.2L13 L116L13-P63 HydrophobicContact CD2-CG 3.98Å; P63-L116 PolarHBondContact O-N 2.95Å
64F98Very high97.5Very high13 Ų1356.5 Ų56.56%0.05731%0.305CS..EExtended strand (participates in β ladder)trans-127.9142.3-179.9-63.3-72.1000112.1L13 F15 K62 Y66 K92 A113 I114L13-F64 WeakPolarHBondContact O-CZ 3.32Å; F15-F64 HydrophobicContact CB-CE1 4.23Å; F15-F64 HydrophobicContact CB-CE2 4.33Å; F15-F64 HydrophobicContact CB-CZ 3.94Å; K62-F64 HydrophobicContact CB-CD2 3.58Å; K62-F64 HydrophobicContact CB-CE2 3.82Å; K62-F64 HydrophobicContact CD-CE2 4.28Å; K62-F64 PolarHBondContact O-N 3.48Å; F64-Y66 HydrophobicContact CB-CD1 4.29Å; F64-Y66 HydrophobicContact CB-CD2 4.44Å; F64-Y66 HydrophobicContact CB-CE1 3.77Å; F64-Y66 HydrophobicContact CB-CE2 3.94Å; F64-Y66 HydrophobicContact CD2-CE1 4.44Å; F64-Y66 WeakPolarHBondContact CD2-OH 3.47Å; F64-Y66 HydrophobicContact CG-CE1 4.33Å; F64-K92 VanDerWaalsContact CE1-O 3.31Å; F64-K92 WeakPolarHBondContact CE1-O 3.13Å; F64-A113 HydrophobicContact CB-CB 4.23Å; F64-A113 HydrophobicContact CD1-CB 4.04Å; F64-A113 HydrophobicContact CG-CB 4.09Å; F64-I114 CarbonylContact C-O 3.57Å; F64-I114 WeakPolarHBondContact CA-O 3.27Å
65K98.1Very high97.2Very high103 Ų10353 Ų5345%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-82.3123156.7-66.6159.8-67.8-162.60107.4I114 S115 L116K65-I114 PolarHBondContact N-O 2.69Å; K65-I114 PolarHBondContact O-N 2.92Å; K65-S115 WeakPolarHBondContact CE-O 3.44Å; K65-S115 PolarHBondContact NZ-O 3Å; K65-L116 HydrophobicContact CD-CD2 3.71Å; K65-L116 HydrophobicContact CG-CD2 3.5Å; K65-L116 VanDerWaalsContact CG-CD2 3.5Å; K65-L116 HydrophobicContact CG-CG 4.12Å
66Y98.5Very high96.7Very high25 Ų2557 Ų5710%0.09832%0.318CS..EExtended strand (participates in β ladder)trans-102.7132.1179.6-64.1-71.3000111.8F15 L57 V58 F64 V111 F112 A113F15-Y66 HydrophobicContact CD2-CE1 4.42Å; F15-Y66 HydrophobicContact CE2-CE1 4.26Å; L57-Y66 HydrophobicContact CB-CD1 4.07Å; L57-Y66 HydrophobicContact CB-CD2 3.8Å; L57-Y66 HydrophobicContact CB-CE1 4.08Å; L57-Y66 HydrophobicContact CB-CE2 3.81Å; L57-Y66 HydrophobicContact CB-CG 3.92Å; L57-Y66 HydrophobicContact CD1-CD1 4.02Å; L57-Y66 HydrophobicContact CD1-CG 4.23Å; L57-Y66 HydrophobicContact CD2-CD1 4.39Å; L57-Y66 HydrophobicContact CD2-CE1 4.05Å; L57-Y66 HydrophobicContact CG-CD1 4.4Å; L57-Y66 HydrophobicContact CG-CE1 4.45Å; L57-Y66 WeakPolarHBondContact O-CE2 3.5Å; V58-Y66 HydrophobicContact CG2-CD2 4.09Å; F64-Y66 HydrophobicContact CB-CD1 4.29Å; F64-Y66 HydrophobicContact CB-CD2 4.44Å; F64-Y66 HydrophobicContact CB-CE1 3.77Å; F64-Y66 HydrophobicContact CB-CE2 3.94Å; F64-Y66 HydrophobicContact CD2-CE1 4.44Å; F64-Y66 WeakPolarHBondContact CD2-OH 3.47Å; F64-Y66 HydrophobicContact CG-CE1 4.33Å; Y66-V111 HydrophobicContact CD1-CG1 4.26Å; Y66-F112 WeakPolarHBondContact CA-O 3.21Å; Y66-A113 HydrophobicContact CD1-CB 3.84Å; Y66-A113 HydrophobicContact CE1-CB 3.68Å
67V98.6Very high95.9Very high78 Ų7858.4 Ų58.447%0.47335%0.346SS..EExtended strand (participates in β ladder)trans-114.6123.4166.6-1780000107.8V111 F112 I114V67-V111 CarbonylContact O-C 3.53Å; V67-V111 WeakPolarHBondContact O-CA 3.49Å; V67-F112 HydrophobicContact CB-CB 4.22Å; V67-F112 HydrophobicContact CB-CD2 4.23Å; V67-F112 HydrophobicContact CG1-CD2 4.29Å; V67-F112 PolarHBondContact N-O 2.9Å; V67-F112 PolarHBondContact O-N 2.65Å; V67-I114 HydrophobicContact CG2-CD1 4.22Å
68V98.7Very high95.3Very high25 Ų2560.7 Ų60.715%0.15236%0.362CS..EExtended strand (participates in β ladder)trans-115.3123.5177.5-168.50000108.9V50 C53 R54 L57 V109 V110 V111V50-V68 HydrophobicContact CB-CB 4.31Å; V50-V68 HydrophobicContact CB-CG1 4.24Å; V50-V68 HydrophobicContact CG1-CB 4.47Å; V50-V68 HydrophobicContact CG1-CG1 4.11Å; C53-V68 HydrophobicContact CB-CG1 3.93Å; C53-V68 HydrophobicContact CB-CG2 4.35Å; R54-V68 HydrophobicContact CB-CG2 3.93Å; L57-V68 HydrophobicContact CD1-CG2 4.09Å; V68-V109 HydrophobicContact CG1-CG1 3.95Å; V68-V110 WeakPolarHBondContact CA-O 3.28Å; V68-V111 HydrophobicContact CG1-CG2 4.1Å; V68-V111 HydrophobicContact CG2-CG2 4.16Å
69N98.6Very high94.8Very high77 Ų7760 Ų6041%0.41237%0.373SS..EExtended strand (participates in β ladder)trans-114.7135173.9-178.6-96.1000109.4V109 V110N69-V109 CarbonylContact O-C 3.59Å; N69-V109 VanDerWaalsContact O-CA 3.27Å; N69-V109 WeakPolarHBondContact O-CA 2.92Å; N69-V110 HydrophobicContact CB-CB 4.41Å; N69-V110 PolarHBondContact N-O 3.25Å; N69-V110 PolarHBondContact O-N 2.93Å
70C98.6Very high94.5Very high21 Ų2155.7 Ų55.714%0.14236%0.359CS..EExtended strand (participates in β ladder)trans-127.9124.8176.7179.90000109.6I49 V50 I108 V109I49-C70 HydrophobicContact CG2-CB 4.28Å; V50-C70 HydrophobicContact CG1-CB 3.47Å; V50-C70 VanDerWaalsContact CG1-CB 3.47Å; C70-I108 CarbonylContact C-O 3.45Å; C70-I108 WeakPolarHBondContact CA-O 3.23Å; C70-V109 HydrophobicContact CB-CG2 4.1Å
71T97.8Very high94.3Very high48 Ų4864.1 Ų64.129%0.29439%0.388SS..EExtended strand (participates in β ladder)trans-113.2122.9173-59.40000108.7V80 C107 I108T71-V80 HydrophobicContact CG2-CG1 4.3Å; T71-C107 CarbonylContact O-C 3.56Å; T71-C107 WeakPolarHBondContact O-CA 3.49Å; T71-I108 PolarHBondContact N-O 2.81Å; T71-I108 PolarHBondContact O-N 2.9Å
72I97.5Very high94.2Very high29 Ų2963.7 Ų63.715%0.14938%0.375CS..EExtended strand (participates in β ladder)trans-120134.4176.5-61.4-177.3000108.4I32 Y37 A42 W45 A46 I49 V105 Y106 C107I32-I72 HydrophobicContact CD1-CD1 3.9Å; Y37-I72 HydrophobicContact CD2-CG2 4.49Å; Y37-I72 HydrophobicContact CE2-CG2 4.25Å; A42-I72 HydrophobicContact CB-CG2 4.01Å; W45-I72 HydrophobicContact CB-CD1 3.79Å; A46-I72 HydrophobicContact CB-CD1 3.94Å; A46-I72 HydrophobicContact CB-CG1 4.42Å; I49-I72 HydrophobicContact CD1-CD1 4.16Å; I72-V105 HydrophobicContact CG2-CG1 3.48Å; I72-V105 VanDerWaalsContact CG2-CG1 3.48Å; I72-Y106 WeakPolarHBondContact CA-O 3.47Å; I72-C107 HydrophobicContact CG1-CB 4.42Å
73T96.5Very high94.2Very high24 Ų2466.7 Ų66.715%0.14741%0.406CS..EExtended strand (participates in β ladder)trans-140.1155.2177.4-164.50000112.3S78 V80 V105 Y106T73-S78 WeakPolarHBondContact OG1-CB 3.03Å; T73-S78 PolarHBondContact OG1-OG 2.95Å; T73-S78 VanDerWaalsContact OG1-OG 3.12Å; T73-V80 HydrophobicContact CG2-CG2 3.43Å; T73-V80 VanDerWaalsContact CG2-CG2 3.43Å; T73-V105 WeakPolarHBondContact O-CA 3.2Å; T73-Y106 HydrophobicContact CG2-CD2 4.27Å; T73-Y106 HydrophobicContact CG2-CG 4.44Å; T73-Y106 PolarHBondContact N-O 3.47Å; T73-Y106 PolarHBondContact O-N 3.05Å
74Q95.7Very high94.2Very high94 Ų9466.9 Ų66.944%0.43941%0.409SS..EExtended strand (participates in β ladder)trans-78.8144.4-178.8-173.9175.113.200112.1Y37 S78Y37-Q74 HydrophobicContact CD1-CB 3.76Å; Y37-Q74 HydrophobicContact CD1-CG 3.72Å; Y37-Q74 HydrophobicContact CD2-CB 4.01Å; Y37-Q74 HydrophobicContact CE1-CB 3.89Å; Y37-Q74 HydrophobicContact CE1-CG 4.26Å; Y37-Q74 HydrophobicContact CE2-CB 4.1Å; Y37-Q74 HydrophobicContact CG-CB 3.85Å; Y37-Q74 HydrophobicContact CG-CG 3.88Å; Q74-S78 WeakPolarHBondContact O-CB 3.23Å; Q74-S78 PolarHBondContact O-OG 3.21Å
75K92Very high94.1Very high43 Ų4372.2 Ų72.219%0.18745%0.448CS..THydrogen-bonded Turntrans-107.7149.1167.4-67.8176.764.1-179.90111.6E101 N102 H104 V105 Y106K75-E101 IonicContact NZ-OE2 2.65Å; K75-E101 PolarHBondContact NZ-OE2 2.9Å; K75-N102 WeakPolarHBondContact CD-O 3.3Å; K75-N102 PolarHBondContact NZ-O 2.97Å; K75-H104 PolarHBondContact N-O 2.93Å; K75-V105 WeakPolarHBondContact CD-O 3.21Å; K75-Y106 HydrophobicContact CD-CD1 4.23Å; K75-Y106 HydrophobicContact CD-CD2 3.59Å; K75-Y106 HydrophobicContact CD-CE1 4.1Å; K75-Y106 HydrophobicContact CD-CE2 3.44Å; K75-Y106 VanDerWaalsContact CD-CE2 3.44Å; K75-Y106 HydrophobicContact CD-CG 3.96Å; K75-Y106 WeakPolarHBondContact CE-OH 3.37Å; K75-Y106 HydrophobicContact CG-CD2 3.29Å; K75-Y106 HydrophobicContact CG-CE2 3.33Å; K75-Y106 HydrophobicContact CG-CG 4.05Å
76P86.7Confident94Very high127 Ų12769.5 Ų69.583%0.82544%0.441SS*.THydrogen-bonded Turncis-79.2177.9-1934.8-34.9000111.5
77G82.6Confident93.9Very high85 Ų8579.9 Ų79.988%0.87648%0.482SS*.THydrogen-bonded Turntrans99.4-9.3167.400000116.3
78S85.4Confident93.8Very high48 Ų4879.1 Ų79.134%0.33647%0.471SS..  trans-93.4117.5177.3-51.90000112.1T73 Q74T73-S78 WeakPolarHBondContact OG1-CB 3.03Å; T73-S78 PolarHBondContact OG1-OG 2.95Å; T73-S78 VanDerWaalsContact OG1-OG 3.12Å; Q74-S78 WeakPolarHBondContact O-CB 3.23Å; Q74-S78 PolarHBondContact O-OG 3.21Å
79G87.5Confident93.6Very high73 Ų7381.5 Ų81.575%0.75348%0.482SS*.  trans-81.7128.816700000110.6
80V90.6Very high93.3Very high57 Ų5784 Ų8435%0.34550%0.501SS..  trans-131.6127.9176.8178.30000110.4T71 T73 I108T71-V80 HydrophobicContact CG2-CG1 4.3Å; T73-V80 HydrophobicContact CG2-CG2 3.43Å; T73-V80 VanDerWaalsContact CG2-CG2 3.43Å; V80-I108 HydrophobicContact CG1-CD1 3.9Å
81Y92.2Very high92.9Very high232 Ų23285.6 Ų85.691%0.9152%0.521SS*.  trans-118.3130168.8-70-89.1000108.5
82S92.9Very high92.7Very high56 Ų5688.7 Ų88.739%0.39253%0.53SS..  trans-133121.3176.4-178.70000109.4
83A95.8Very high92.6Very high100 Ų10088.4 Ų88.483%0.82653%0.529SS*.  trans-132.1150.117600000109.1
84S95.2Very high92.6Very high46 Ų4687.7 Ų87.732%0.32253%0.526SS..  trans-143.7131.6179.158.40000108.2K97S84-K97 PolarHBondContact OG-NZ 3.21Å
85S96.4Very high92.7Very high125 Ų12585.5 Ų85.587%0.87452%0.518SS*.  trans-117.3143.1170.2-174.10000108.4
86C95.6Very high93Very high47 Ų4783.7 Ų83.732%0.31851%0.511SS..  trans-135132.9-176-53.30000109.1W88 F112C86-W88 HydrophobicContact CB-CD2 3.61Å; C86-W88 HydrophobicContact CB-CE3 3.88Å; C86-W88 HydrophobicContact CB-CG 4.14Å; C86-W88 HydrophobicContact CB-CH2 4.14Å; C86-W88 HydrophobicContact CB-CZ2 3.86Å; C86-W88 HydrophobicContact CB-CZ3 4.14Å; C86-F112 VanDerWaalsContact SG-CE1 3.54Å
87Y97.2Very high93.6Very high243 Ų24382.1 Ų82.195%0.95349%0.491SS*.  trans-113.5103.6171.2179.5-113.6000108.3
88W96.6Very high94.3Very high62 Ų6278.3 Ų78.324%0.23545%0.451CS..SBendtrans-164.1179.7-166.867.313.8000111.8C86 T90 D93 G94 N95 F112 I114C86-W88 HydrophobicContact CB-CD2 3.61Å; C86-W88 HydrophobicContact CB-CE3 3.88Å; C86-W88 HydrophobicContact CB-CG 4.14Å; C86-W88 HydrophobicContact CB-CH2 4.14Å; C86-W88 HydrophobicContact CB-CZ2 3.86Å; C86-W88 HydrophobicContact CB-CZ3 4.14Å; W88-T90 PolarHBondContact O-N 2.81Å; W88-D93 HydrophobicContact CB-CB 4.08Å; W88-D93 VanDerWaalsContact CB-OD2 3.24Å; W88-D93 WeakPolarHBondContact CB-OD2 3.46Å; W88-D93 HydrophobicContact CD2-CB 3.5Å; W88-D93 VanDerWaalsContact CD2-CB 3.5Å; W88-D93 HydrophobicContact CE3-CB 3.86Å; W88-D93 HydrophobicContact CG-CB 3.61Å; W88-D93 HydrophobicContact CZ2-CB 4.44Å; W88-D93 HydrophobicContact CZ3-CB 4.44Å; W88-G94 VanDerWaalsContact CH2-C 3.45Å; W88-G94 WeakPolarHBondContact CH2-O 3.24Å; W88-N95 HydrophobicContact CH2-CB 4.02Å; W88-N95 HydrophobicContact CZ2-CB 4.35Å; W88-F112 HydrophobicContact CH2-CB 4.17Å; W88-F112 AromaticContact CH2-CD1 3.77Å; W88-F112 HydrophobicContact CH2-CD1 3.77Å; W88-F112 HydrophobicContact CH2-CG 4.47Å; W88-F112 HydrophobicContact CZ3-CB 3.98Å; W88-F112 HydrophobicContact CZ3-CD1 4.03Å; W88-F112 HydrophobicContact CZ3-CG 4.48Å; W88-I114 HydrophobicContact CE3-CG1 3.89Å; W88-I114 HydrophobicContact CZ3-CD1 4.33Å; W88-I114 HydrophobicContact CZ3-CG1 3.93Å
89D95.1Very high94.8Very high74 Ų7484.5 Ų84.540%0.39647%0.471SS..  trans-77.8105178.8-176.8-20000110.2G91 K92 D93D89-G91 PolarHBondContact O-N 3.37Å; D89-G91 VanDerWaalsContact O-N 3.13Å; D89-G91 WeakPolarHBondContact OD1-CA 3.38Å; D89-G91 PolarHBondContact OD1-N 3.47Å; D89-K92 HydrophobicContact CB-CB 4.38Å; D89-K92 PolarHBondContact O-N 3.35Å; D89-K92 VanDerWaalsContact O-N 3.13Å; D89-K92 PolarHBondContact OD1-N 3.47Å; D89-K92 WeakPolarHBondContact OD2-CD 3.27Å; D89-K92 IonicContact OD2-NZ 3.95Å; D89-D93 PolarHBondContact N-OD2 3.27Å; D89-D93 WeakPolarHBondContact O-CA 3.39Å; D89-D93 VanDerWaalsContact O-CB 3.24Å; D89-D93 WeakPolarHBondContact O-CB 3.35Å; D89-D93 PolarHBondContact O-N 2.99Å
90T91.8Very high95.3Very high130 Ų13082.9 Ų82.980%0.79844%0.443SS*.THydrogen-bonded Turntrans-67.3-12-177.957.10000114.4W88W88-T90 PolarHBondContact O-N 2.81Å
91G90.6Very high95.5Very high55 Ų5585 Ų8557%0.56745%0.449SS*.THydrogen-bonded Turntrans-84.4-26.3174.200000113.4D89D89-G91 PolarHBondContact O-N 3.37Å; D89-G91 VanDerWaalsContact O-N 3.13Å; D89-G91 WeakPolarHBondContact OD1-CA 3.38Å; D89-G91 PolarHBondContact OD1-N 3.47Å
92K92.8Very high95.7Very high112 Ų11274.9 Ų74.949%0.48741%0.41SS..THydrogen-bonded Turntrans-116.2-39.7-173.8-60.5-178.4-175.4169.60113.1F64 D89F64-K92 VanDerWaalsContact CE1-O 3.31Å; F64-K92 WeakPolarHBondContact CE1-O 3.13Å; D89-K92 HydrophobicContact CB-CB 4.38Å; D89-K92 PolarHBondContact O-N 3.35Å; D89-K92 VanDerWaalsContact O-N 3.13Å; D89-K92 PolarHBondContact OD1-N 3.47Å; D89-K92 WeakPolarHBondContact OD2-CD 3.27Å; D89-K92 IonicContact OD2-NZ 3.95Å
93D96.3Very high95.8Very high23 Ų2378.9 Ų78.912%0.12343%0.427CS..  trans-88.8152.2-175-52.7-34.3000110.8W88 D89 A113 I114 S115W88-D93 HydrophobicContact CB-CB 4.08Å; W88-D93 VanDerWaalsContact CB-OD2 3.24Å; W88-D93 WeakPolarHBondContact CB-OD2 3.46Å; W88-D93 HydrophobicContact CD2-CB 3.5Å; W88-D93 VanDerWaalsContact CD2-CB 3.5Å; W88-D93 HydrophobicContact CE3-CB 3.86Å; W88-D93 HydrophobicContact CG-CB 3.61Å; W88-D93 HydrophobicContact CZ2-CB 4.44Å; W88-D93 HydrophobicContact CZ3-CB 4.44Å; D89-D93 PolarHBondContact N-OD2 3.27Å; D89-D93 WeakPolarHBondContact O-CA 3.39Å; D89-D93 VanDerWaalsContact O-CB 3.24Å; D89-D93 WeakPolarHBondContact O-CB 3.35Å; D89-D93 PolarHBondContact O-N 2.99Å; D93-A113 WeakPolarHBondContact CA-O 2.95Å; D93-I114 WeakPolarHBondContact OD1-CA 3.46Å; D93-S115 VanDerWaalsContact OD1-CB 3.28Å; D93-S115 WeakPolarHBondContact OD1-CB 3.5Å; D93-S115 PolarHBondContact OD1-N 3.12Å
94G96.5Very high95.8Very high9 Ų977.7 Ų77.79%0.09341%0.405CS..EExtended strand (participates in β ladder)trans-160.9166-176.500000113.4W88 A113W88-G94 VanDerWaalsContact CH2-C 3.45Å; W88-G94 WeakPolarHBondContact CH2-O 3.24Å; G94-A113 PolarHBondContact N-O 2.79Å; G94-A113 PolarHBondContact O-N 3.42Å
95N97.4Very high95.8Very high49 Ų4975.5 Ų75.526%0.26239%0.389SS..EExtended strand (participates in β ladder)trans-134.9156.9173.369.798.7000111.3W88 V111 F112W88-N95 HydrophobicContact CH2-CB 4.02Å; W88-N95 HydrophobicContact CZ2-CB 4.35Å; N95-V111 CarbonylContact C-O 3.55Å; N95-V111 WeakPolarHBondContact CA-O 3.37Å; N95-V111 VanDerWaalsContact CB-O 3.25Å; N95-V111 WeakPolarHBondContact CB-O 3.16Å; N95-F112 HydrophobicContact CB-CD1 3.78Å; N95-F112 HydrophobicContact CB-CE1 4.19Å
96C98.2Very high95.8Very high5 Ų574.3 Ų74.33%0.03437%0.366CS..EExtended strand (participates in β ladder)trans-130.8130.5171178.40000108.5F15 A20 I24 V110 V111F15-C96 HydrophobicContact CE1-CB 4.21Å; F15-C96 HydrophobicContact CZ-CB 4.04Å; A20-C96 HydrophobicContact CB-CB 3.79Å; I24-C96 HydrophobicContact CD1-CB 4.3Å; C96-V110 WeakPolarHBondContact O-CA 3.41Å; C96-V111 PolarHBondContact N-O 3.28Å; C96-V111 PolarHBondContact O-N 3.05Å
97K98.2Very high95.9Very high94 Ų9472.1 Ų72.141%0.40935%0.351SS..EExtended strand (participates in β ladder)trans-118.4124.8175.8-84.3-170.5-83.5-159.20110.2S84 V110S84-K97 PolarHBondContact OG-NZ 3.21Å; K97-V110 HydrophobicContact CD-CG1 4.03Å; K97-V110 HydrophobicContact CD-CG2 3.94Å; K97-V110 HydrophobicContact CG-CB 4Å; K97-V110 HydrophobicContact CG-CG1 3.51Å; K97-V110 HydrophobicContact CG-CG2 3.72Å
98V98.5Very high96Very high5 Ų561.7 Ų61.73%0.0331%0.312CS..EExtended strand (participates in β ladder)trans-117.7129.9174.8178.20000109.3E21 I24 K25 I28 I108 V109E21-V98 HydrophobicContact CB-CG2 4.33Å; E21-V98 HydrophobicContact CG-CG2 3.88Å; I24-V98 HydrophobicContact CB-CB 4.42Å; I24-V98 HydrophobicContact CB-CG2 3.95Å; I24-V98 HydrophobicContact CD1-CG2 3.98Å; I24-V98 HydrophobicContact CG2-CB 3.62Å; I24-V98 HydrophobicContact CG2-CG1 4.08Å; I24-V98 HydrophobicContact CG2-CG2 3.7Å; K25-V98 HydrophobicContact CG-CG1 3.84Å; I28-V98 HydrophobicContact CD1-CG1 4.19Å; V98-I108 WeakPolarHBondContact O-CA 3.42Å; V98-V109 PolarHBondContact N-O 3.07Å; V98-V109 PolarHBondContact O-N 2.89Å
99K96.1Very high96.1Very high178 Ų17858.7 Ų58.777%0.77430%0.3SS*.EExtended strand (participates in β ladder)trans-104.6132.9166.2-59.7-178-176.8178.40107.8I108K99-I108 HydrophobicContact CG-CG1 4.39Å
100W97.3Very high96.2Very high39 Ų3955.4 Ų55.415%0.14828%0.283CS..EExtended strand (participates in β ladder)trans-139.7150178.7-179.9100.4000108.9I28 I32 G33 N102 C107I28-W100 HydrophobicContact CB-CG 4.4Å; I28-W100 HydrophobicContact CD1-CB 4.03Å; I28-W100 HydrophobicContact CG2-CB 3.97Å; I28-W100 HydrophobicContact CG2-CD2 3.36Å; I28-W100 HydrophobicContact CG2-CE3 3.54Å; I28-W100 HydrophobicContact CG2-CG 3.57Å; I28-W100 HydrophobicContact CG2-CZ2 4.45Å; I28-W100 HydrophobicContact CG2-CZ3 4.17Å; I32-W100 HydrophobicContact CB-CH2 3.82Å; I32-W100 HydrophobicContact CB-CZ3 3.95Å; I32-W100 HydrophobicContact CD1-CZ3 4.2Å; I32-W100 HydrophobicContact CG2-CH2 3.66Å; I32-W100 HydrophobicContact CG2-CZ3 3.66Å; G33-W100 WeakPolarHBondContact O-CH2 3.48Å; G33-W100 WeakPolarHBondContact O-CZ2 3.44Å; W100-N102 HydrophobicContact CH2-CB 3.65Å; W100-N102 HydrophobicContact CZ2-CB 4.31Å; W100-N102 HydrophobicContact CZ3-CB 4.1Å; W100-C107 HydrophobicContact CE3-CB 3.98Å; W100-C107 PolarHBondContact N-O 2.79Å; W100-C107 PolarHBondContact O-N 3.36Å; W100-C107 VanDerWaalsContact O-O 3.1Å
101E95.7Very high96.6Very high101 Ų10149.2 Ų49.247%0.47225%0.245SC..EExtended strand (participates in β ladder)trans-147.6156.6177.465.5-178.7141.400112.1K75 V105 Y106K75-E101 IonicContact NZ-OE2 2.65Å; K75-E101 PolarHBondContact NZ-OE2 2.9Å; E101-V105 VanDerWaalsContact CA-O 3.23Å; E101-V105 WeakPolarHBondContact CA-O 3.43Å; E101-V105 WeakPolarHBondContact CB-O 3.12Å; E101-Y106 HydrophobicContact CB-CD1 3.68Å; E101-Y106 HydrophobicContact CB-CE1 3.88Å; E101-Y106 HydrophobicContact CG-CE1 4.34Å; E101-Y106 WeakPolarHBondContact OE2-CE1 3.24Å; E101-Y106 PolarHBondContact OE2-OH 2.98Å
102N95.2Very high96.9Very high20 Ų2048.2 Ų48.211%0.10723%0.225CC..  trans-126.3-162.4159.471.515000109.4G33 N35 K75 W100 H104 V105G33-N102 PolarHBondContact O-ND2 3.17Å; N35-N102 PolarHBondContact O-ND2 2.81Å; N35-N102 VanDerWaalsContact O-ND2 3.07Å; K75-N102 WeakPolarHBondContact CD-O 3.3Å; K75-N102 PolarHBondContact NZ-O 2.97Å; W100-N102 HydrophobicContact CH2-CB 3.65Å; W100-N102 HydrophobicContact CZ2-CB 4.31Å; W100-N102 HydrophobicContact CZ3-CB 4.1Å; N102-H104 PolarHBondContact O-N 2.85Å; N102-H104 WeakPolarHBondContact OD1-CA 3.38Å; N102-H104 PolarHBondContact OD1-N 2.88Å; N102-V105 PolarHBondContact N-O 3.27Å; N102-V105 WeakPolarHBondContact OD1-CB 3.42Å; N102-V105 PolarHBondContact OD1-N 2.82Å
103N95Very high97.2Very high139 Ų13942.9 Ų42.974%0.74320%0.202SC*.SBendtrans-66-20.1180-67.6-19.8000113.8
104H95.4Very high97.3Very high76 Ų7644 Ų4435%0.35221%0.207SC..SBendtrans-120.8-16.2-169-51.6-73.3000113.8K75 N102K75-H104 PolarHBondContact N-O 2.93Å; N102-H104 PolarHBondContact O-N 2.85Å; N102-H104 WeakPolarHBondContact OD1-CA 3.38Å; N102-H104 PolarHBondContact OD1-N 2.88Å
105V96.9Very high97.3Very high0 Ų044.8 Ų44.80%021%0.211CC..EExtended strand (participates in β ladder)trans-139138.4-165.9-174.50000111.1I32 Y37 W45 I72 T73 K75 E101 N102I32-V105 HydrophobicContact CG2-CG2 4.4Å; Y37-V105 HydrophobicContact CD2-CG2 4.09Å; Y37-V105 HydrophobicContact CG-CG2 4.49Å; W45-V105 HydrophobicContact CZ3-CG2 4.05Å; I72-V105 HydrophobicContact CG2-CG1 3.48Å; I72-V105 VanDerWaalsContact CG2-CG1 3.48Å; T73-V105 WeakPolarHBondContact O-CA 3.2Å; K75-V105 WeakPolarHBondContact CD-O 3.21Å; E101-V105 VanDerWaalsContact CA-O 3.23Å; E101-V105 WeakPolarHBondContact CA-O 3.43Å; E101-V105 WeakPolarHBondContact CB-O 3.12Å; N102-V105 PolarHBondContact N-O 3.27Å; N102-V105 WeakPolarHBondContact OD1-CB 3.42Å; N102-V105 PolarHBondContact OD1-N 2.82Å
106Y95.8Very high97Very high100 Ų10050 Ų5039%0.39224%0.238SC..EExtended strand (participates in β ladder)trans-102.4134.2153.9-74-70.3000109.3I72 T73 K75 E101I72-Y106 WeakPolarHBondContact CA-O 3.47Å; T73-Y106 HydrophobicContact CG2-CD2 4.27Å; T73-Y106 HydrophobicContact CG2-CG 4.44Å; T73-Y106 PolarHBondContact N-O 3.47Å; T73-Y106 PolarHBondContact O-N 3.05Å; K75-Y106 HydrophobicContact CD-CD1 4.23Å; K75-Y106 HydrophobicContact CD-CD2 3.59Å; K75-Y106 HydrophobicContact CD-CE1 4.1Å; K75-Y106 HydrophobicContact CD-CE2 3.44Å; K75-Y106 VanDerWaalsContact CD-CE2 3.44Å; K75-Y106 HydrophobicContact CD-CG 3.96Å; K75-Y106 WeakPolarHBondContact CE-OH 3.37Å; K75-Y106 HydrophobicContact CG-CD2 3.29Å; K75-Y106 HydrophobicContact CG-CE2 3.33Å; K75-Y106 HydrophobicContact CG-CG 4.05Å; E101-Y106 HydrophobicContact CB-CD1 3.68Å; E101-Y106 HydrophobicContact CB-CE1 3.88Å; E101-Y106 HydrophobicContact CG-CE1 4.34Å; E101-Y106 WeakPolarHBondContact OE2-CE1 3.24Å; E101-Y106 PolarHBondContact OE2-OH 2.98Å
107C97.7Very high97Very high0 Ų052.3 Ų52.30%025%0.249CC..EExtended strand (participates in β ladder)trans-125.8128.3175.4-177.20000109.5I28 I32 T71 I72 W100I28-C107 HydrophobicContact CG2-CB 4.28Å; I32-C107 HydrophobicContact CD1-CB 3.95Å; T71-C107 CarbonylContact O-C 3.56Å; T71-C107 WeakPolarHBondContact O-CA 3.49Å; I72-C107 HydrophobicContact CG1-CB 4.42Å; W100-C107 HydrophobicContact CE3-CB 3.98Å; W100-C107 PolarHBondContact N-O 2.79Å; W100-C107 PolarHBondContact O-N 3.36Å; W100-C107 VanDerWaalsContact O-O 3.1Å
108I98.1Very high96.9Very high24 Ų2450.1 Ų50.112%0.12324%0.24CC..EExtended strand (participates in β ladder)trans-121.7120174.8-54.1176.2000107.4C70 T71 V80 V98 K99 V110C70-I108 CarbonylContact C-O 3.45Å; C70-I108 WeakPolarHBondContact CA-O 3.23Å; T71-I108 PolarHBondContact N-O 2.81Å; T71-I108 PolarHBondContact O-N 2.9Å; V80-I108 HydrophobicContact CG1-CD1 3.9Å; V98-I108 WeakPolarHBondContact O-CA 3.42Å; K99-I108 HydrophobicContact CG-CG1 4.39Å; I108-V110 HydrophobicContact CG2-CG2 4.32Å
109V98.7Very high96.8Very high0 Ų052.6 Ų52.60%025%0.252CS..EExtended strand (participates in β ladder)trans-116.1132174.7178.20000109.1I24 I28 I49 V68 N69 C70 V98I24-V109 HydrophobicContact CD1-CG1 4.4Å; I24-V109 HydrophobicContact CG1-CG1 4.15Å; I24-V109 HydrophobicContact CG2-CB 3.58Å; I24-V109 HydrophobicContact CG2-CG1 3.68Å; I24-V109 HydrophobicContact CG2-CG2 4.19Å; I28-V109 HydrophobicContact CD1-CB 4.25Å; I28-V109 HydrophobicContact CD1-CG2 3.69Å; I28-V109 HydrophobicContact CG1-CG2 3.98Å; I49-V109 HydrophobicContact CG2-CG2 3.7Å; V68-V109 HydrophobicContact CG1-CG1 3.95Å; N69-V109 CarbonylContact O-C 3.59Å; N69-V109 VanDerWaalsContact O-CA 3.27Å; N69-V109 WeakPolarHBondContact O-CA 2.92Å; C70-V109 HydrophobicContact CB-CG2 4.1Å; V98-V109 PolarHBondContact N-O 3.07Å; V98-V109 PolarHBondContact O-N 2.89Å
110V98.7Very high96.9Very high4 Ų445.2 Ų45.22%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-121.4123.2177.9-167.90000108.8V68 N69 C96 K97 I108 F112V68-V110 WeakPolarHBondContact CA-O 3.28Å; N69-V110 HydrophobicContact CB-CB 4.41Å; N69-V110 PolarHBondContact N-O 3.25Å; N69-V110 PolarHBondContact O-N 2.93Å; C96-V110 WeakPolarHBondContact O-CA 3.41Å; K97-V110 HydrophobicContact CD-CG1 4.03Å; K97-V110 HydrophobicContact CD-CG2 3.94Å; K97-V110 HydrophobicContact CG-CB 4Å; K97-V110 HydrophobicContact CG-CG1 3.51Å; K97-V110 HydrophobicContact CG-CG2 3.72Å; I108-V110 HydrophobicContact CG2-CG2 4.32Å; V110-F112 HydrophobicContact CB-CE2 4.11Å; V110-F112 HydrophobicContact CB-CZ 4.36Å; V110-F112 HydrophobicContact CG1-CD2 4.14Å; V110-F112 HydrophobicContact CG1-CE1 3.96Å; V110-F112 HydrophobicContact CG1-CE2 3.48Å; V110-F112 VanDerWaalsContact CG1-CE2 3.48Å; V110-F112 HydrophobicContact CG1-CZ 3.37Å
111V98.8Very high96.8Very high0 Ų045.6 Ų45.60%023%0.226CC..EExtended strand (participates in β ladder)trans-106.5130.3170.6172.20000108.3F15 I24 L57 Y66 V67 V68 N95 C96F15-V111 HydrophobicContact CE2-CG1 4.41Å; F15-V111 HydrophobicContact CZ-CG1 4.26Å; I24-V111 HydrophobicContact CD1-CB 4.18Å; I24-V111 HydrophobicContact CD1-CG2 3.5Å; I24-V111 VanDerWaalsContact CD1-CG2 3.5Å; I24-V111 HydrophobicContact CG1-CG2 3.89Å; L57-V111 HydrophobicContact CD1-CB 4.4Å; L57-V111 HydrophobicContact CD1-CG1 3.59Å; L57-V111 HydrophobicContact CD1-CG2 3.85Å; Y66-V111 HydrophobicContact CD1-CG1 4.26Å; V67-V111 CarbonylContact O-C 3.53Å; V67-V111 WeakPolarHBondContact O-CA 3.49Å; V68-V111 HydrophobicContact CG1-CG2 4.1Å; V68-V111 HydrophobicContact CG2-CG2 4.16Å; N95-V111 CarbonylContact C-O 3.55Å; N95-V111 WeakPolarHBondContact CA-O 3.37Å; N95-V111 VanDerWaalsContact CB-O 3.25Å; N95-V111 WeakPolarHBondContact CB-O 3.16Å; C96-V111 PolarHBondContact N-O 3.28Å; C96-V111 PolarHBondContact O-N 3.05Å
112F98.6Very high96.9Very high35 Ų3541.9 Ų41.915%0.15421%0.209CC..EExtended strand (participates in β ladder)trans-111.4131.2166.3-54.2-87.8000108.2Y66 V67 C86 W88 N95 V110 I114Y66-F112 WeakPolarHBondContact CA-O 3.21Å; V67-F112 HydrophobicContact CB-CB 4.22Å; V67-F112 HydrophobicContact CB-CD2 4.23Å; V67-F112 HydrophobicContact CG1-CD2 4.29Å; V67-F112 PolarHBondContact N-O 2.9Å; V67-F112 PolarHBondContact O-N 2.65Å; C86-F112 VanDerWaalsContact SG-CE1 3.54Å; W88-F112 HydrophobicContact CH2-CB 4.17Å; W88-F112 AromaticContact CH2-CD1 3.77Å; W88-F112 HydrophobicContact CH2-CD1 3.77Å; W88-F112 HydrophobicContact CH2-CG 4.47Å; W88-F112 HydrophobicContact CZ3-CB 3.98Å; W88-F112 HydrophobicContact CZ3-CD1 4.03Å; W88-F112 HydrophobicContact CZ3-CG 4.48Å; N95-F112 HydrophobicContact CB-CD1 3.78Å; N95-F112 HydrophobicContact CB-CE1 4.19Å; V110-F112 HydrophobicContact CB-CE2 4.11Å; V110-F112 HydrophobicContact CB-CZ 4.36Å; V110-F112 HydrophobicContact CG1-CD2 4.14Å; V110-F112 HydrophobicContact CG1-CE1 3.96Å; V110-F112 HydrophobicContact CG1-CE2 3.48Å; V110-F112 VanDerWaalsContact CG1-CE2 3.48Å; V110-F112 HydrophobicContact CG1-CZ 3.37Å; F112-I114 HydrophobicContact CB-CD1 4.1Å
113A98.5Very high97Very high0 Ų043.4 Ų43.40%022%0.217CC..EExtended strand (participates in β ladder)trans-118.1114.7176.200000108.4F15 F64 Y66 D93 G94F15-A113 HydrophobicContact CB-CB 4.21Å; F15-A113 HydrophobicContact CD1-CB 4.33Å; F15-A113 HydrophobicContact CD2-CB 3.19Å; F15-A113 HydrophobicContact CE2-CB 3.49Å; F15-A113 VanDerWaalsContact CE2-CB 3.49Å; F15-A113 HydrophobicContact CG-CB 3.65Å; F15-A113 HydrophobicContact CZ-CB 4.17Å; F64-A113 HydrophobicContact CB-CB 4.23Å; F64-A113 HydrophobicContact CD1-CB 4.04Å; F64-A113 HydrophobicContact CG-CB 4.09Å; Y66-A113 HydrophobicContact CD1-CB 3.84Å; Y66-A113 HydrophobicContact CE1-CB 3.68Å; D93-A113 WeakPolarHBondContact CA-O 2.95Å; G94-A113 PolarHBondContact N-O 2.79Å; G94-A113 PolarHBondContact O-N 3.42Å
114I98Very high97.2Very high46 Ų4636.1 Ų36.124%0.23618%0.176CC..EExtended strand (participates in β ladder)trans-111.4121-179.4-54.389.6000107.4F64 K65 V67 W88 D93 F112F64-I114 CarbonylContact C-O 3.57Å; F64-I114 WeakPolarHBondContact CA-O 3.27Å; K65-I114 PolarHBondContact N-O 2.69Å; K65-I114 PolarHBondContact O-N 2.92Å; V67-I114 HydrophobicContact CG2-CD1 4.22Å; W88-I114 HydrophobicContact CE3-CG1 3.89Å; W88-I114 HydrophobicContact CZ3-CD1 4.33Å; W88-I114 HydrophobicContact CZ3-CG1 3.93Å; D93-I114 WeakPolarHBondContact OD1-CA 3.46Å; F112-I114 HydrophobicContact CB-CD1 4.1Å
115S96.4Very high97.3Very high26 Ų2632.8 Ų32.818%0.18216%0.161CC..EExtended strand (participates in β ladder)trans-55.2141.1179-160.10000110.3K65 D93K65-S115 WeakPolarHBondContact CE-O 3.44Å; K65-S115 PolarHBondContact NZ-O 3Å; D93-S115 VanDerWaalsContact OD1-CB 3.28Å; D93-S115 WeakPolarHBondContact OD1-CB 3.5Å; D93-S115 PolarHBondContact OD1-N 3.12Å
116L92.2Very high97.4Very high158 Ų15835.7 Ų35.783%0.82718%0.176SC*.  trans-75.40179.1-83.7167.2000112.1P63 K65P63-L116 PolarHBondContact O-N 2.95Å; K65-L116 HydrophobicContact CD-CD2 3.71Å; K65-L116 HydrophobicContact CG-CD2 3.5Å; K65-L116 VanDerWaalsContact CG-CD2 3.5Å; K65-L116 HydrophobicContact CG-CG 4.12Å

Retrieved 116 of 116 residues in 78.6 ms (Link to these results)

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