G4VSR3_SCHMA Loading...

T-complex-associated-testis-expressed 1-related

AlphaFold DB , UniProt , Accession G4VSR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 113 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
1M45.5Very low64.4Low228 Ų228120.1 Ų120.1100%1.12363%0.63SS**  019.20-151.3170.8173.500110.5
2D51.5Low66.9Low118 Ų118111.6 Ų111.663%0.63158%0.584SS**  trans-110.1-6.9-172.4-75.8-13.9000114L4 T6D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 2.63Å; D2-T6 PolarHBondContact O-OG1 2.83Å
3D53.5Low69.1Low141 Ų141106.9 Ų106.975%0.75456%0.563SS**THydrogen-bonded Turntrans-74.8-19.2-173-61.5-44.7000113.6T6D3-T6 PolarHBondContact O-OG1 3.11Å
4L50.6Low71Confident155 Ų155106.2 Ų106.281%0.81256%0.555SS**THydrogen-bonded Turntrans-90.1-27.4-178.2-70172.6000113.6D2 S7D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 2.63Å; L4-S7 PolarHBondContact O-OG 3.11Å
5Q49.4Very low72.7Confident144 Ų144105.9 Ų105.967%0.67355%0.554SS**Hα-helixtrans-78.5-24.4178.5-99.4173.9-38.800112.4
6T60.2Low74.2Confident75 Ų75103.4 Ų103.446%0.4654%0.539SS..Hα-helixtrans-80.6-23.7-176.640.30000114.2D2 D3 T10D2-T6 PolarHBondContact O-OG1 2.83Å; D3-T6 PolarHBondContact O-OG1 3.11Å; T6-T10 WeakPolarHBondContact O-CG2 3.13Å; T6-T10 PolarHBondContact O-N 2.69Å; T6-T10 PolarHBondContact O-OG1 2.86Å
7S70.6Confident75.6Confident54 Ų5497.5 Ų97.538%0.37851%0.508SS..Hα-helixtrans-73.9-46.3-174.562.50000113.2L4 E9 T10 T11L4-S7 PolarHBondContact O-OG 3.11Å; S7-E9 VanDerWaalsContact C-N 3.33Å; S7-E9 PolarHBondContact O-N 2.84Å; S7-T10 PolarHBondContact O-N 3.39Å; S7-T10 PolarHBondContact O-OG1 2.86Å; S7-T11 WeakPolarHBondContact O-CB 3.39Å; S7-T11 PolarHBondContact O-N 2.75Å; S7-T11 PolarHBondContact O-OG1 3.12Å
8E72.7Confident76.8Confident143 Ų14395.4 Ų95.467%0.66849%0.494SS*.Hα-helixtrans-70.7-30.2-177.2-70.8-171.1170.700112.8T10 K59E8-T10 VanDerWaalsContact C-N 3.31Å; E8-T10 PolarHBondContact O-N 2.78Å; E8-K59 VanDerWaalsContact O-CE 3.26Å; E8-K59 WeakPolarHBondContact O-CE 3.08Å; E8-K59 PolarHBondContact O-NZ 3.13Å
9E78.7Confident78Confident126 Ų12694.9 Ų94.959%0.58949%0.493SS*.Hα-helixtrans-70.6-26.6177.1-67.8-173.6169.100112.7S7 K59S7-E9 VanDerWaalsContact C-N 3.33Å; S7-E9 PolarHBondContact O-N 2.84Å; E9-K59 VanDerWaalsContact O-CG 3.25Å; E9-K59 WeakPolarHBondContact O-CG 3.46Å
10T84.4Confident79Confident72 Ų7291 Ų9144%0.44247%0.472SS..Hα-helixtrans-104.8-6.6-178.2560000113.4T6 S7 E8 P60 F61T6-T10 WeakPolarHBondContact O-CG2 3.13Å; T6-T10 PolarHBondContact O-N 2.69Å; T6-T10 PolarHBondContact O-OG1 2.86Å; S7-T10 PolarHBondContact O-N 3.39Å; S7-T10 PolarHBondContact O-OG1 2.86Å; E8-T10 VanDerWaalsContact C-N 3.31Å; E8-T10 PolarHBondContact O-N 2.78Å; T10-P60 HydrophobicContact CG2-CG 4.32Å; T10-F61 WeakPolarHBondContact O-CZ 3.31Å
11T90.9Very high79.9Confident65 Ų6586.6 Ų86.640%0.39945%0.45SS..SBendtrans-95.5140.9-178.2-60.70000112.1S7 V13 K59S7-T11 WeakPolarHBondContact O-CB 3.39Å; S7-T11 PolarHBondContact O-N 2.75Å; S7-T11 PolarHBondContact O-OG1 3.12Å; T11-V13 PolarHBondContact O-N 2.84Å; T11-K59 PolarHBondContact O-NZ 2.81Å
12F94.9Very high82.4Confident18 Ų1880.1 Ų80.18%0.07942%0.415CS..  trans-7295.4169.3-174.7-95000110.6Q14 V17 F61 Y63 C93 V108F12-Q14 HydrophobicContact CD1-CG 4.06Å; F12-Q14 HydrophobicContact CE1-CG 3.97Å; F12-Q14 PolarHBondContact O-N 3.34Å; F12-V17 HydrophobicContact CD2-CG2 4.41Å; F12-V17 HydrophobicContact CE1-CG2 4.41Å; F12-V17 HydrophobicContact CE2-CG2 3.81Å; F12-V17 HydrophobicContact CZ-CB 4.23Å; F12-V17 HydrophobicContact CZ-CG1 4.04Å; F12-V17 HydrophobicContact CZ-CG2 3.81Å; F12-F61 HydrophobicContact CB-CE1 4.37Å; F12-F61 HydrophobicContact CB-CE2 4.38Å; F12-F61 HydrophobicContact CB-CZ 3.93Å; F12-Y63 HydrophobicContact CE2-CE1 4.45Å; F12-C93 HydrophobicContact CE1-CB 4.12Å; F12-C93 HydrophobicContact CZ-CB 4.26Å; F12-V108 HydrophobicContact CE2-CG1 4.29Å; F12-V108 HydrophobicContact CZ-CG1 4.33Å
13V95.3Very high84.7Confident51 Ų5180.4 Ų80.431%0.30941%0.413SS..  trans-83.7100.8-178.2-177.80000109.7T11 D15 E16 V17T11-V13 PolarHBondContact O-N 2.84Å; V13-D15 VanDerWaalsContact C-N 3.29Å; V13-D15 PolarHBondContact O-N 3.35Å; V13-E16 HydrophobicContact CB-CB 4.05Å; V13-E16 HydrophobicContact CG1-CB 3.91Å; V13-E16 PolarHBondContact O-N 3.12Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.94Å
14Q95.5Very high86.8Confident97 Ų9773.9 Ų73.945%0.45338%0.378SS..Hα-helixtrans-57-39.7-174.4-66.8-172.121.700113.4F12 V17 K18F12-Q14 HydrophobicContact CD1-CG 4.06Å; F12-Q14 HydrophobicContact CE1-CG 3.97Å; F12-Q14 PolarHBondContact O-N 3.34Å; Q14-V17 PolarHBondContact O-N 2.93Å; Q14-K18 VanDerWaalsContact O-CG 3.27Å; Q14-K18 WeakPolarHBondContact O-CG 3.42Å; Q14-K18 PolarHBondContact O-N 3.2Å
15D96.7Very high89.1Confident102 Ų10266.5 Ų66.555%0.54534%0.339SS..Hα-helixtrans-71.5-34.6-175.7-68.9-22000112.7V13 K18 N19V13-D15 VanDerWaalsContact C-N 3.29Å; V13-D15 PolarHBondContact O-N 3.35Å; D15-K18 PolarHBondContact O-N 2.99Å; D15-K18 IonicContact OD1-NZ 2.78Å; D15-K18 PolarHBondContact OD1-NZ 3.16Å; D15-N19 VanDerWaalsContact O-CG 3.24Å; D15-N19 PolarHBondContact O-N 2.83Å; D15-N19 VanDerWaalsContact O-N 3.08Å; D15-N19 PolarHBondContact O-ND2 2.84Å
16E96.4Very high91.4Very high65 Ų6564.7 Ų64.730%0.30433%0.331SS..Hα-helixtrans-60.5-47.2169.7178.3176.9-135.200110.6V13 K18 N19 I20 L57 K59V13-E16 HydrophobicContact CB-CB 4.05Å; V13-E16 HydrophobicContact CG1-CB 3.91Å; V13-E16 PolarHBondContact O-N 3.12Å; E16-K18 PolarHBondContact O-N 2.9Å; E16-N19 PolarHBondContact O-N 3.22Å; E16-I20 HydrophobicContact CG-CD1 4.45Å; E16-I20 PolarHBondContact O-N 2.9Å; E16-I20 VanDerWaalsContact O-N 3.08Å; E16-L57 HydrophobicContact CG-CD1 4.12Å; E16-L57 HydrophobicContact CG-CD2 4.3Å; E16-L57 VanDerWaalsContact OE1-CD2 3.25Å; E16-L57 WeakPolarHBondContact OE1-CD2 3.47Å; E16-K59 IonicContact OE2-NZ 2.75Å; E16-K59 PolarHBondContact OE2-NZ 2.93Å
17V98.1Very high93.2Very high3 Ų364.5 Ų64.52%0.01834%0.344CS..Hα-helixtrans-64.2-40.7177.4176.60000111.8F12 V13 Q14 N19 I20 V21 L54 C93 V108F12-V17 HydrophobicContact CD2-CG2 4.41Å; F12-V17 HydrophobicContact CE1-CG2 4.41Å; F12-V17 HydrophobicContact CE2-CG2 3.81Å; F12-V17 HydrophobicContact CZ-CB 4.23Å; F12-V17 HydrophobicContact CZ-CG1 4.04Å; F12-V17 HydrophobicContact CZ-CG2 3.81Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.94Å; Q14-V17 PolarHBondContact O-N 2.93Å; V17-N19 VanDerWaalsContact C-N 3.29Å; V17-N19 PolarHBondContact O-N 2.84Å; V17-I20 PolarHBondContact O-N 3.45Å; V17-V21 HydrophobicContact CG1-CG2 4.42Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 2.88Å; V17-L54 HydrophobicContact CB-CD2 4.49Å; V17-L54 HydrophobicContact CG1-CD2 4.2Å; V17-L54 HydrophobicContact CG2-CD2 3.88Å; V17-C93 HydrophobicContact CG1-CB 4.16Å; V17-V108 HydrophobicContact CG1-CB 3.7Å; V17-V108 HydrophobicContact CG1-CG1 3.79Å; V17-V108 HydrophobicContact CG1-CG2 3.86Å
18K98.3Very high94.5Very high60 Ų6064.2 Ų64.226%0.26134%0.337SS..Hα-helixtrans-58.4-43175.5-74.7172.2-162.6152.90111.4Q14 D15 E16 V21 K22 C93 V95Q14-K18 VanDerWaalsContact O-CG 3.27Å; Q14-K18 WeakPolarHBondContact O-CG 3.42Å; Q14-K18 PolarHBondContact O-N 3.2Å; D15-K18 PolarHBondContact O-N 2.99Å; D15-K18 IonicContact OD1-NZ 2.78Å; D15-K18 PolarHBondContact OD1-NZ 3.16Å; E16-K18 PolarHBondContact O-N 2.9Å; K18-V21 PolarHBondContact O-N 2.79Å; K18-K22 WeakPolarHBondContact O-CG 3.15Å; K18-K22 PolarHBondContact O-N 2.92Å; K18-C93 WeakPolarHBondContact CG-SG 3.14Å; K18-V95 HydrophobicContact CB-CG2 4.18Å; K18-V95 HydrophobicContact CG-CG2 3.94Å
19N98.4Very high95.6Very high87 Ų8757.5 Ų57.547%0.46531%0.306SS..Hα-helixtrans-66.2-47.3-179.4-68.8-19.3000110.9D15 E16 V17 V21 K22 E23D15-N19 VanDerWaalsContact O-CG 3.24Å; D15-N19 PolarHBondContact O-N 2.83Å; D15-N19 VanDerWaalsContact O-N 3.08Å; D15-N19 PolarHBondContact O-ND2 2.84Å; E16-N19 PolarHBondContact O-N 3.22Å; V17-N19 VanDerWaalsContact C-N 3.29Å; V17-N19 PolarHBondContact O-N 2.84Å; N19-V21 VanDerWaalsContact C-N 3.28Å; N19-V21 PolarHBondContact O-N 2.94Å; N19-K22 PolarHBondContact O-N 3.15Å; N19-E23 WeakPolarHBondContact O-CB 3.42Å; N19-E23 WeakPolarHBondContact O-CG 3.33Å; N19-E23 PolarHBondContact O-N 3.09Å
20I98.5Very high96.3Very high15 Ų1553.8 Ų53.88%0.07730%0.302CS..Hα-helixtrans-53.1-47.1174.4-72.5169.9000111.2E16 V17 S24 Q53 L54 L57E16-I20 HydrophobicContact CG-CD1 4.45Å; E16-I20 PolarHBondContact O-N 2.9Å; E16-I20 VanDerWaalsContact O-N 3.08Å; V17-I20 PolarHBondContact O-N 3.45Å; I20-S24 VanDerWaalsContact O-CB 3.26Å; I20-S24 WeakPolarHBondContact O-CB 3.38Å; I20-S24 PolarHBondContact O-N 2.87Å; I20-S24 PolarHBondContact O-OG 3.23Å; I20-Q53 HydrophobicContact CB-CB 4.5Å; I20-Q53 HydrophobicContact CD1-CB 4.32Å; I20-Q53 HydrophobicContact CG1-CB 4.25Å; I20-Q53 HydrophobicContact CG2-CB 3.52Å; I20-Q53 HydrophobicContact CG2-CG 4.35Å; I20-L54 HydrophobicContact CD1-CD2 4.06Å; I20-L54 HydrophobicContact CG2-CG 4.41Å; I20-L57 HydrophobicContact CD1-CD1 3.84Å; I20-L57 HydrophobicContact CD1-CD2 4.14Å; I20-L57 HydrophobicContact CD1-CG 4.16Å
21V98.7Very high96.8Very high0 Ų056.4 Ų56.40%032%0.323CS..Hα-helixtrans-66.3-44.1-178172.20000111.5V17 K18 N19 S24 I25 V95 V106 V108V17-V21 HydrophobicContact CG1-CG2 4.42Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 2.88Å; K18-V21 PolarHBondContact O-N 2.79Å; N19-V21 VanDerWaalsContact C-N 3.28Å; N19-V21 PolarHBondContact O-N 2.94Å; V21-S24 PolarHBondContact O-N 2.89Å; V21-I25 HydrophobicContact CG1-CD1 3.84Å; V21-I25 VanDerWaalsContact O-CG1 3.25Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 3.25Å; V21-V95 HydrophobicContact CB-CB 4.31Å; V21-V95 HydrophobicContact CB-CG2 3.94Å; V21-V95 HydrophobicContact CG1-CB 3.64Å; V21-V95 HydrophobicContact CG1-CG1 3.99Å; V21-V95 HydrophobicContact CG1-CG2 3.83Å; V21-V95 HydrophobicContact CG2-CG2 4.48Å; V21-V106 HydrophobicContact CG1-CB 3.6Å; V21-V106 HydrophobicContact CG1-CG1 3.62Å; V21-V106 HydrophobicContact CG1-CG2 4.18Å; V21-V106 HydrophobicContact CG2-CG1 4.18Å; V21-V108 HydrophobicContact CG2-CG2 3.56Å
22K98.2Very high97.1Very high92 Ų9255.1 Ų55.140%0.432%0.317SS..Hα-helixtrans-61.7-49.5177.7-74.6175.5-177.81760111.7K18 N19 S24 I25 E26 V95K18-K22 WeakPolarHBondContact O-CG 3.15Å; K18-K22 PolarHBondContact O-N 2.92Å; N19-K22 PolarHBondContact O-N 3.15Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 3.33Å; K22-I25 PolarHBondContact O-N 2.82Å; K22-E26 WeakPolarHBondContact O-CB 3.48Å; K22-E26 WeakPolarHBondContact O-CG 3.39Å; K22-E26 PolarHBondContact O-N 3.31Å; K22-V95 HydrophobicContact CG-CG1 3.95Å
23E98.2Very high97.2Very high124 Ų12458.2 Ų58.258%0.57934%0.341SS*.Hα-helixtrans-60.8-39.4178.1-71.2177.1-177.500111.7N19 E26 G27N19-E23 WeakPolarHBondContact O-CB 3.42Å; N19-E23 WeakPolarHBondContact O-CG 3.33Å; N19-E23 PolarHBondContact O-N 3.09Å; E23-E26 PolarHBondContact O-N 3.3Å; E23-G27 PolarHBondContact O-N 3Å
24S98.5Very high97.4Very high4 Ų458.2 Ų58.23%0.02834%0.335CS..Hα-helixtrans-63.2-45.8176.7-60.20000111.5I20 V21 K22 I28 Q49I20-S24 VanDerWaalsContact O-CB 3.26Å; I20-S24 WeakPolarHBondContact O-CB 3.38Å; I20-S24 PolarHBondContact O-N 2.87Å; I20-S24 PolarHBondContact O-OG 3.23Å; V21-S24 PolarHBondContact O-N 2.89Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 3.33Å; S24-I28 WeakPolarHBondContact O-CB 3.38Å; S24-I28 WeakPolarHBondContact O-CD1 3.36Å; S24-I28 WeakPolarHBondContact O-CG1 3.4Å; S24-I28 PolarHBondContact O-N 3.41Å; S24-Q49 WeakPolarHBondContact OG-CG 3.31Å
25I98.5Very high97.5Very high0 Ų055.6 Ų55.60%033%0.328CS..Hα-helixtrans-61.7-52.4176.7-66164.1000109.8V21 K22 G27 I28 I29 V46 W97 F104 V106V21-I25 HydrophobicContact CG1-CD1 3.84Å; V21-I25 VanDerWaalsContact O-CG1 3.25Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 3.25Å; K22-I25 PolarHBondContact O-N 2.82Å; I25-G27 PolarHBondContact O-N 3.48Å; I25-I28 PolarHBondContact O-N 3.13Å; I25-I29 HydrophobicContact CG2-CG2 4.11Å; I25-I29 WeakPolarHBondContact O-CB 3.18Å; I25-I29 WeakPolarHBondContact O-CG2 3.39Å; I25-I29 PolarHBondContact O-N 2.83Å; I25-V46 HydrophobicContact CG1-CG1 3.97Å; I25-V46 HydrophobicContact CG1-CG2 4.4Å; I25-W97 HydrophobicContact CD1-CB 3.82Å; I25-W97 HydrophobicContact CD1-CG 4.46Å; I25-W97 HydrophobicContact CG2-CB 4.19Å; I25-W97 HydrophobicContact CG2-CD2 3.56Å; I25-W97 HydrophobicContact CG2-CE3 3.71Å; I25-W97 HydrophobicContact CG2-CG 3.79Å; I25-W97 HydrophobicContact CG2-CZ3 4.27Å; I25-F104 HydrophobicContact CD1-CB 4.07Å; I25-F104 HydrophobicContact CG1-CD1 4.24Å; I25-F104 HydrophobicContact CG2-CB 4.49Å; I25-F104 HydrophobicContact CG2-CD1 4.05Å; I25-F104 HydrophobicContact CG2-CD2 4.41Å; I25-F104 HydrophobicContact CG2-CE1 4.37Å; I25-F104 HydrophobicContact CG2-CG 4.07Å; I25-V106 HydrophobicContact CD1-CG2 3.86Å; I25-V106 HydrophobicContact CG1-CG2 4.32Å
26E97.5Very high97.5Very high105 Ų10557.1 Ų57.149%0.49133%0.331SS..Hα-helixtrans-62.9-42.4-175.9-72.5177.2174.100112.8K22 E23 I28 G30 W97K22-E26 WeakPolarHBondContact O-CB 3.48Å; K22-E26 WeakPolarHBondContact O-CG 3.39Å; K22-E26 PolarHBondContact O-N 3.31Å; E23-E26 PolarHBondContact O-N 3.3Å; E26-I28 VanDerWaalsContact C-N 3.3Å; E26-I28 PolarHBondContact O-N 2.82Å; E26-G30 WeakPolarHBondContact O-CA 3.25Å; E26-G30 PolarHBondContact O-N 3.39Å; E26-W97 HydrophobicContact CG-CZ2 4.46Å; E26-W97 PolarHBondContact OE1-NE1 3.43Å
27G97.8Very high97.6Very high71 Ų7161.1 Ų61.173%0.73236%0.355SS*.Hα-helixtrans-64.3-32.517800000113.4E23 I25E23-G27 PolarHBondContact O-N 3Å; I25-G27 PolarHBondContact O-N 3.48Å
28I97.6Very high97.6Very high48 Ų4865.6 Ų65.625%0.24637%0.374CS..Hα-helixtrans-86.9-42.3-179.5-69.9164.4000111.7S24 I25 E26 S45 V46 Q49S24-I28 WeakPolarHBondContact O-CB 3.38Å; S24-I28 WeakPolarHBondContact O-CD1 3.36Å; S24-I28 WeakPolarHBondContact O-CG1 3.4Å; S24-I28 PolarHBondContact O-N 3.41Å; I25-I28 PolarHBondContact O-N 3.13Å; E26-I28 VanDerWaalsContact C-N 3.3Å; E26-I28 PolarHBondContact O-N 2.82Å; I28-S45 WeakPolarHBondContact CD1-O 3.34Å; I28-V46 HydrophobicContact CB-CG2 4.26Å; I28-V46 VanDerWaalsContact CD1-CA 3.46Å; I28-V46 HydrophobicContact CD1-CB 4.22Å; I28-V46 HydrophobicContact CD1-CG2 3.71Å; I28-V46 HydrophobicContact CG2-CG2 4.24Å; I28-Q49 HydrophobicContact CD1-CB 3.87Å; I28-Q49 HydrophobicContact CD1-CG 4.43Å
29I96.1Very high97.6Very high3 Ų364 Ų642%0.01537%0.369CS..Hα-helixtrans-87.2-34.5-172.1-159.457.6000113.2I25 S31 S32 W42 W97 M102 F104I25-I29 HydrophobicContact CG2-CG2 4.11Å; I25-I29 WeakPolarHBondContact O-CB 3.18Å; I25-I29 WeakPolarHBondContact O-CG2 3.39Å; I25-I29 PolarHBondContact O-N 2.83Å; I29-S31 PolarHBondContact O-N 3.2Å; I29-S32 WeakPolarHBondContact O-CB 3.46Å; I29-S32 PolarHBondContact O-N 2.91Å; I29-S32 PolarHBondContact O-OG 3.46Å; I29-W42 HydrophobicContact CD1-CD2 3.51Å; I29-W42 HydrophobicContact CD1-CE3 3.92Å; I29-W42 HydrophobicContact CD1-CG 4.02Å; I29-W42 HydrophobicContact CD1-CH2 3.9Å; I29-W42 HydrophobicContact CD1-CZ2 3.47Å; I29-W42 VanDerWaalsContact CD1-CZ2 3.47Å; I29-W42 HydrophobicContact CD1-CZ3 4.1Å; I29-W97 HydrophobicContact CG2-CH2 3.43Å; I29-W97 VanDerWaalsContact CG2-CH2 3.43Å; I29-W97 HydrophobicContact CG2-CZ2 3.84Å; I29-W97 HydrophobicContact CG2-CZ3 3.96Å; I29-M102 HydrophobicContact CD1-CE 3.36Å; I29-M102 HydrophobicContact CG1-CE 3.37Å; I29-F104 HydrophobicContact CB-CZ 4.47Å; I29-F104 HydrophobicContact CD1-CZ 4.07Å; I29-F104 HydrophobicContact CG1-CE2 4.28Å; I29-F104 HydrophobicContact CG1-CZ 4.11Å
30G94.2Very high97.6Very high48 Ų4867.2 Ų67.250%0.49538%0.382SS..THydrogen-bonded Turntrans47.1-124.8-170.800000112E26E26-G30 WeakPolarHBondContact O-CA 3.25Å; E26-G30 PolarHBondContact O-N 3.39Å
31S94.6Very high97.6Very high126 Ų12672.5 Ų72.588%0.88141%0.406SS*.THydrogen-bonded Turntrans-95.816.8179.364.30000114.1I29I29-S31 PolarHBondContact O-N 3.2Å
32S97.2Very high97.6Very high39 Ų3973.1 Ų73.127%0.27341%0.408SS..PPolyproline II helixtrans-66.2136.9-176.1-59.80000112.2I29 N99I29-S32 WeakPolarHBondContact O-CB 3.46Å; I29-S32 PolarHBondContact O-N 2.91Å; I29-S32 PolarHBondContact O-OG 3.46Å; S32-N99 PolarHBondContact O-ND2 2.82Å
33S97.6Very high97.6Very high83 Ų8370 Ų7058%0.5840%0.397SS*.PPolyproline II helixtrans-81.3157.4165.760.30000111.1S35 W42 S101S33-S35 PolarHBondContact O-N 3.39Å; S33-W42 WeakPolarHBondContact O-CH2 3.36Å; S33-S101 WeakPolarHBondContact CA-OG 3.25Å
34Y98.2Very high97.6Very high51 Ų5166.6 Ų66.620%0.239%0.387CS..PPolyproline II helixtrans-49.8131.7176-178.3-95.9000112.2H36 V39 I69 Q71 S101 M102Y34-H36 HydrophobicContact CE1-CB 4.16Å; Y34-H36 PolarHBondContact OH-ND1 3.23Å; Y34-V39 HydrophobicContact CD2-CG2 4.38Å; Y34-V39 HydrophobicContact CE2-CG2 3.59Å; Y34-I69 HydrophobicContact CD2-CG2 4.48Å; Y34-I69 HydrophobicContact CE2-CG2 4.42Å; Y34-Q71 HydrophobicContact CD1-CB 3.84Å; Y34-Q71 HydrophobicContact CD1-CG 3.59Å; Y34-Q71 HydrophobicContact CD2-CB 3.96Å; Y34-Q71 HydrophobicContact CD2-CG 4.39Å; Y34-Q71 HydrophobicContact CE1-CB 3.72Å; Y34-Q71 HydrophobicContact CE1-CG 3.86Å; Y34-Q71 HydrophobicContact CE2-CB 3.85Å; Y34-Q71 HydrophobicContact CG-CB 3.95Å; Y34-Q71 HydrophobicContact CG-CG 3.87Å; Y34-S101 PolarHBondContact N-OG 3.5Å; Y34-M102 VanDerWaalsContact CA-SD 3.59Å; Y34-M102 HydrophobicContact CD2-CB 3.91Å; Y34-M102 HydrophobicContact CD2-SD 3.86Å; Y34-M102 HydrophobicContact CG-CB 4.43Å; Y34-M102 HydrophobicContact CG-SD 4.35Å
35S97.8Very high97.6Very high42 Ų4268.1 Ų68.129%0.29440%0.398SS..  trans-144113.1173.3179.90000108S33 N37 K38 V39S33-S35 PolarHBondContact O-N 3.39Å; S35-N37 PolarHBondContact O-N 2.92Å; S35-K38 PolarHBondContact O-N 3.4Å; S35-V39 PolarHBondContact O-N 3.28Å
36H97.6Very high97.6Very high133 Ų13368.1 Ų68.162%0.61640%0.398SS*.Hα-helixtrans-53.7-41.5-175.9-176.764.7000112.3Y34 K38 V39Y34-H36 HydrophobicContact CE1-CB 4.16Å; Y34-H36 PolarHBondContact OH-ND1 3.23Å; H36-K38 PolarHBondContact O-N 2.86Å; H36-K38 VanDerWaalsContact O-N 3.16Å; H36-V39 WeakPolarHBondContact O-CB 3.22Å; H36-V39 PolarHBondContact O-N 2.87Å; H36-V39 VanDerWaalsContact O-N 3.12Å
37N98.1Very high97.6Very high150 Ų15065.3 Ų65.380%0.80239%0.386SS*.Hα-helixtrans-64.8-19.4179.4-62.9-11.4000113.8S35S35-N37 PolarHBondContact O-N 2.92Å
38K97.9Very high97.7Very high96 Ų9668 Ų6842%0.41738%0.379SS..Hα-helixtrans-95.9-12.5177.8-63.3-171.2175.5-173.60113.3S35 H36 Q40 Q41 W42S35-K38 PolarHBondContact O-N 3.4Å; H36-K38 PolarHBondContact O-N 2.86Å; H36-K38 VanDerWaalsContact O-N 3.16Å; K38-Q40 VanDerWaalsContact C-N 3.34Å; K38-Q40 PolarHBondContact O-N 3.38Å; K38-Q41 PolarHBondContact O-N 2.99Å; K38-Q41 VanDerWaalsContact O-N 3.15Å; K38-W42 HydrophobicContact CB-CD2 3.78Å; K38-W42 HydrophobicContact CB-CE3 3.97Å; K38-W42 HydrophobicContact CB-CH2 3.74Å; K38-W42 HydrophobicContact CB-CZ2 3.54Å; K38-W42 HydrophobicContact CB-CZ3 3.95Å; K38-W42 HydrophobicContact CD-CH2 4.03Å; K38-W42 HydrophobicContact CD-CZ2 3.41Å; K38-W42 VanDerWaalsContact CD-CZ2 3.41Å; K38-W42 HydrophobicContact CG-CH2 4.46Å; K38-W42 HydrophobicContact CG-CZ2 4.12Å; K38-W42 PolarHBondContact O-N 3.08Å
39V98.2Very high97.7Very high26 Ų2669.5 Ų69.516%0.15839%0.385CS..Hα-helixtrans-56-47.9-174.3169.60000111.3Y34 S35 H36 Q41 W42 T43 I69Y34-V39 HydrophobicContact CD2-CG2 4.38Å; Y34-V39 HydrophobicContact CE2-CG2 3.59Å; S35-V39 PolarHBondContact O-N 3.28Å; H36-V39 WeakPolarHBondContact O-CB 3.22Å; H36-V39 PolarHBondContact O-N 2.87Å; H36-V39 VanDerWaalsContact O-N 3.12Å; V39-Q41 VanDerWaalsContact C-N 3.34Å; V39-Q41 PolarHBondContact O-N 3.26Å; V39-W42 HydrophobicContact CG2-CE3 4.49Å; V39-W42 PolarHBondContact O-N 2.86Å; V39-T43 HydrophobicContact CG1-CG2 4.37Å; V39-T43 WeakPolarHBondContact O-CG2 3.44Å; V39-T43 PolarHBondContact O-N 3.44Å; V39-T43 PolarHBondContact O-OG1 3.31Å; V39-T43 VanDerWaalsContact O-OG1 3.09Å; V39-I69 HydrophobicContact CG1-CB 4.12Å; V39-I69 HydrophobicContact CG1-CD1 4.33Å; V39-I69 HydrophobicContact CG2-CG2 4.4Å
40Q98.1Very high97.9Very high156 Ų15669.4 Ų69.473%0.72938%0.384SS*.Hα-helixtrans-60.6-43.3179.9-174.91772.400112.3K38 T43 S44K38-Q40 VanDerWaalsContact C-N 3.34Å; K38-Q40 PolarHBondContact O-N 3.38Å; Q40-T43 WeakPolarHBondContact CA-OG1 3.41Å; Q40-T43 PolarHBondContact O-OG1 2.85Å; Q40-S44 PolarHBondContact O-N 2.87Å; Q40-S44 VanDerWaalsContact O-N 3.13Å; Q40-S44 PolarHBondContact O-OG 3.27Å
41Q98.3Very high98.1Very high126 Ų12669.9 Ų69.959%0.58938%0.375SS*.Hα-helixtrans-63-48.6176.4-178.1-173.8-14.700110.8K38 V39 T43 S44 S45K38-Q41 PolarHBondContact O-N 2.99Å; K38-Q41 VanDerWaalsContact O-N 3.15Å; V39-Q41 VanDerWaalsContact C-N 3.34Å; V39-Q41 PolarHBondContact O-N 3.26Å; Q41-T43 PolarHBondContact O-N 2.84Å; Q41-S44 PolarHBondContact O-N 2.97Å; Q41-S45 WeakPolarHBondContact O-CB 3.21Å; Q41-S45 PolarHBondContact O-N 2.81Å; Q41-S45 PolarHBondContact O-OG 2.96Å; Q41-S45 VanDerWaalsContact O-OG 3.1Å
42W98.5Very high98.3Very high12 Ų1266.1 Ų66.15%0.04535%0.349CS..Hα-helixtrans-61.7-41.8179.5-67.3-32.3000112.5I29 S33 K38 V39 V46 I69 M102I29-W42 HydrophobicContact CD1-CD2 3.51Å; I29-W42 HydrophobicContact CD1-CE3 3.92Å; I29-W42 HydrophobicContact CD1-CG 4.02Å; I29-W42 HydrophobicContact CD1-CH2 3.9Å; I29-W42 HydrophobicContact CD1-CZ2 3.47Å; I29-W42 VanDerWaalsContact CD1-CZ2 3.47Å; I29-W42 HydrophobicContact CD1-CZ3 4.1Å; S33-W42 WeakPolarHBondContact O-CH2 3.36Å; K38-W42 HydrophobicContact CB-CD2 3.78Å; K38-W42 HydrophobicContact CB-CE3 3.97Å; K38-W42 HydrophobicContact CB-CH2 3.74Å; K38-W42 HydrophobicContact CB-CZ2 3.54Å; K38-W42 HydrophobicContact CB-CZ3 3.95Å; K38-W42 HydrophobicContact CD-CH2 4.03Å; K38-W42 HydrophobicContact CD-CZ2 3.41Å; K38-W42 VanDerWaalsContact CD-CZ2 3.41Å; K38-W42 HydrophobicContact CG-CH2 4.46Å; K38-W42 HydrophobicContact CG-CZ2 4.12Å; K38-W42 PolarHBondContact O-N 3.08Å; V39-W42 HydrophobicContact CG2-CE3 4.49Å; V39-W42 PolarHBondContact O-N 2.86Å; W42-V46 WeakPolarHBondContact O-CB 3.39Å; W42-V46 VanDerWaalsContact O-CG2 3.24Å; W42-V46 WeakPolarHBondContact O-CG2 3.39Å; W42-V46 PolarHBondContact O-N 3.24Å; W42-I69 HydrophobicContact CB-CD1 3.64Å; W42-I69 HydrophobicContact CE3-CD1 4.36Å; W42-M102 HydrophobicContact CE3-SD 4.49Å; W42-M102 HydrophobicContact CH2-CE 4.3Å; W42-M102 HydrophobicContact CZ3-CE 4.08Å; W42-M102 HydrophobicContact CZ3-SD 3.89Å
43T98.3Very high98.3Very high27 Ų2766.7 Ų66.717%0.16635%0.347CS..Hα-helixtrans-61-47.5176.946.60000111.5V39 Q40 Q41 V46 I47 C67 I69V39-T43 HydrophobicContact CG1-CG2 4.37Å; V39-T43 WeakPolarHBondContact O-CG2 3.44Å; V39-T43 PolarHBondContact O-N 3.44Å; V39-T43 PolarHBondContact O-OG1 3.31Å; V39-T43 VanDerWaalsContact O-OG1 3.09Å; Q40-T43 WeakPolarHBondContact CA-OG1 3.41Å; Q40-T43 PolarHBondContact O-OG1 2.85Å; Q41-T43 PolarHBondContact O-N 2.84Å; T43-V46 PolarHBondContact O-N 3.05Å; T43-I47 WeakPolarHBondContact O-CB 3.37Å; T43-I47 WeakPolarHBondContact O-CD1 3.25Å; T43-I47 VanDerWaalsContact O-CG1 3.25Å; T43-I47 WeakPolarHBondContact O-CG1 3.28Å; T43-I47 PolarHBondContact O-N 3.47Å; T43-C67 HydrophobicContact CG2-CB 4.47Å; T43-I69 HydrophobicContact CG2-CD1 3.62Å; T43-I69 HydrophobicContact CG2-CG1 3.82Å
44S98.5Very high98.3Very high53 Ų5362.8 Ų62.837%0.37132%0.32SS..Hα-helixtrans-63.5-49.5179.6-63.30000111.2Q40 Q41 V46 I47 E48Q40-S44 PolarHBondContact O-N 2.87Å; Q40-S44 VanDerWaalsContact O-N 3.13Å; Q40-S44 PolarHBondContact O-OG 3.27Å; Q41-S44 PolarHBondContact O-N 2.97Å; S44-V46 VanDerWaalsContact C-N 3.33Å; S44-V46 PolarHBondContact O-N 2.94Å; S44-I47 PolarHBondContact O-N 2.86Å; S44-E48 WeakPolarHBondContact O-CB 3.47Å; S44-E48 VanDerWaalsContact O-CG 3.3Å; S44-E48 WeakPolarHBondContact O-CG 3.27Å; S44-E48 PolarHBondContact O-N 2.91Å
45S98.6Very high98.3Very high36 Ų3664.6 Ų64.625%0.25234%0.336SS..Hα-helixtrans-60.8-41.2-179.8-60.90000112.1I28 Q41 E48 Q49I28-S45 WeakPolarHBondContact CD1-O 3.34Å; Q41-S45 WeakPolarHBondContact O-CB 3.21Å; Q41-S45 PolarHBondContact O-N 2.81Å; Q41-S45 PolarHBondContact O-OG 2.96Å; Q41-S45 VanDerWaalsContact O-OG 3.1Å; S45-E48 PolarHBondContact O-N 3.21Å; S45-Q49 VanDerWaalsContact O-CB 3.27Å; S45-Q49 WeakPolarHBondContact O-CB 3.11Å; S45-Q49 PolarHBondContact O-N 2.92Å
46V98.7Very high98.2Very high0 Ų069 Ų690%035%0.35CS..Hα-helixtrans-66-43.2179.1168.30000110.7I25 I28 W42 T43 S44 C50 F104 V106I25-V46 HydrophobicContact CG1-CG1 3.97Å; I25-V46 HydrophobicContact CG1-CG2 4.4Å; I28-V46 HydrophobicContact CB-CG2 4.26Å; I28-V46 VanDerWaalsContact CD1-CA 3.46Å; I28-V46 HydrophobicContact CD1-CB 4.22Å; I28-V46 HydrophobicContact CD1-CG2 3.71Å; I28-V46 HydrophobicContact CG2-CG2 4.24Å; W42-V46 WeakPolarHBondContact O-CB 3.39Å; W42-V46 VanDerWaalsContact O-CG2 3.24Å; W42-V46 WeakPolarHBondContact O-CG2 3.39Å; W42-V46 PolarHBondContact O-N 3.24Å; T43-V46 PolarHBondContact O-N 3.05Å; S44-V46 VanDerWaalsContact C-N 3.33Å; S44-V46 PolarHBondContact O-N 2.94Å; V46-C50 WeakPolarHBondContact O-CB 3.48Å; V46-C50 PolarHBondContact O-N 3.35Å; V46-C50 PolarHBondContact O-SG 3.25Å; V46-F104 HydrophobicContact CG2-CE1 4.27Å; V46-V106 HydrophobicContact CG1-CG2 4.05Å
47I98.8Very high98.1Very high46 Ų4665.1 Ų65.124%0.23633%0.334CS..Hα-helixtrans-62.3-48.2177.4-71.6167.5000110.6T43 S44 C50 L51 V65 C67T43-I47 WeakPolarHBondContact O-CB 3.37Å; T43-I47 WeakPolarHBondContact O-CD1 3.25Å; T43-I47 VanDerWaalsContact O-CG1 3.25Å; T43-I47 WeakPolarHBondContact O-CG1 3.28Å; T43-I47 PolarHBondContact O-N 3.47Å; S44-I47 PolarHBondContact O-N 2.86Å; I47-C50 PolarHBondContact O-N 3.1Å; I47-L51 HydrophobicContact CG2-CD1 3.82Å; I47-L51 HydrophobicContact CG2-CG 4.47Å; I47-L51 WeakPolarHBondContact O-CB 3.33Å; I47-L51 WeakPolarHBondContact O-CG 3.47Å; I47-L51 PolarHBondContact O-N 3.26Å; I47-V65 HydrophobicContact CG1-CG1 4.17Å; I47-V65 HydrophobicContact CG2-CB 4.34Å; I47-C67 HydrophobicContact CD1-CB 3.95Å; I47-C67 HydrophobicContact CG1-CB 3.82Å
48E98.6Very high98Very high126 Ų12661.2 Ų61.259%0.58933%0.329SS*.Hα-helixtrans-61.4-44.6179.5-73.5168.9-167.700111.9S44 S45 L51 S52S44-E48 WeakPolarHBondContact O-CB 3.47Å; S44-E48 VanDerWaalsContact O-CG 3.3Å; S44-E48 WeakPolarHBondContact O-CG 3.27Å; S44-E48 PolarHBondContact O-N 2.91Å; S45-E48 PolarHBondContact O-N 3.21Å; E48-L51 PolarHBondContact O-N 3.08Å; E48-S52 WeakPolarHBondContact O-CB 3.23Å; E48-S52 PolarHBondContact O-N 3.08Å
49Q98.7Very high97.8Very high81 Ų8158.1 Ų58.138%0.37932%0.316SS..Hα-helixtrans-64.3-44.9177.8-176.165.516.900111.4S24 I28 S45 S52 Q53S24-Q49 WeakPolarHBondContact OG-CG 3.31Å; I28-Q49 HydrophobicContact CD1-CB 3.87Å; I28-Q49 HydrophobicContact CD1-CG 4.43Å; S45-Q49 VanDerWaalsContact O-CB 3.27Å; S45-Q49 WeakPolarHBondContact O-CB 3.11Å; S45-Q49 PolarHBondContact O-N 2.92Å; Q49-S52 PolarHBondContact O-N 2.89Å; Q49-Q53 WeakPolarHBondContact O-CG 3.32Å; Q49-Q53 PolarHBondContact O-N 3.33Å
50C98.8Very high97.7Very high0 Ų059.8 Ų59.80%033%0.327CS..Hα-helixtrans-58.3-50.6174.9-74.90000111.2V46 I47 S52 Q53 L54 V65V46-C50 WeakPolarHBondContact O-CB 3.48Å; V46-C50 PolarHBondContact O-N 3.35Å; V46-C50 PolarHBondContact O-SG 3.25Å; I47-C50 PolarHBondContact O-N 3.1Å; C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.32Å; C50-Q53 PolarHBondContact O-N 3.28Å; C50-L54 HydrophobicContact CB-CD1 4.48Å; C50-L54 VanDerWaalsContact O-CB 3.31Å; C50-L54 WeakPolarHBondContact O-CB 3.11Å; C50-L54 WeakPolarHBondContact O-CD1 3.35Å; C50-L54 WeakPolarHBondContact O-CG 3.35Å; C50-L54 PolarHBondContact O-N 3.23Å; C50-V65 HydrophobicContact CB-CG1 4.12Å; C50-V65 HydrophobicContact CB-CG2 4.25Å
51L98.6Very high97.7Very high59 Ų5953 Ų5331%0.30930%0.295SS..Hα-helixtrans-60.9-42179.1-72.9170.5000111.9I47 E48 Q53 L54 T55 V65I47-L51 HydrophobicContact CG2-CD1 3.82Å; I47-L51 HydrophobicContact CG2-CG 4.47Å; I47-L51 WeakPolarHBondContact O-CB 3.33Å; I47-L51 WeakPolarHBondContact O-CG 3.47Å; I47-L51 PolarHBondContact O-N 3.26Å; E48-L51 PolarHBondContact O-N 3.08Å; L51-Q53 PolarHBondContact O-N 3.28Å; L51-L54 PolarHBondContact O-N 3.47Å; L51-T55 WeakPolarHBondContact O-CB 3.36Å; L51-T55 VanDerWaalsContact O-CG2 3.28Å; L51-T55 WeakPolarHBondContact O-CG2 3.47Å; L51-T55 PolarHBondContact O-N 3.02Å; L51-T55 PolarHBondContact O-OG1 3.4Å; L51-V65 HydrophobicContact CD2-CG2 3.72Å; L51-V65 HydrophobicContact CG-CG2 3.96Å
52S98.5Very high97.6Very high46 Ų4653.5 Ų53.532%0.32230%0.295SS..Hα-helixtrans-60.3-43.7176.2-1730000112.1E48 Q49 C50 T55 K56E48-S52 WeakPolarHBondContact O-CB 3.23Å; E48-S52 PolarHBondContact O-N 3.08Å; Q49-S52 PolarHBondContact O-N 2.89Å; C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.32Å; S52-T55 PolarHBondContact O-OG1 2.93Å; S52-K56 WeakPolarHBondContact O-CD 3.48Å; S52-K56 VanDerWaalsContact O-CG 3.26Å; S52-K56 WeakPolarHBondContact O-CG 3.39Å; S52-K56 PolarHBondContact O-N 3.38Å
53Q98.5Very high97.6Very high52 Ų5254.5 Ų54.524%0.24330%0.299CS..Hα-helixtrans-73.7-39.8179.6-66.5-60.7105.100112.4I20 Q49 C50 L51 T55 K56I20-Q53 HydrophobicContact CB-CB 4.5Å; I20-Q53 HydrophobicContact CD1-CB 4.32Å; I20-Q53 HydrophobicContact CG1-CB 4.25Å; I20-Q53 HydrophobicContact CG2-CB 3.52Å; I20-Q53 HydrophobicContact CG2-CG 4.35Å; Q49-Q53 WeakPolarHBondContact O-CG 3.32Å; Q49-Q53 PolarHBondContact O-N 3.33Å; C50-Q53 PolarHBondContact O-N 3.28Å; L51-Q53 PolarHBondContact O-N 3.28Å; Q53-T55 PolarHBondContact O-N 2.67Å; Q53-K56 WeakPolarHBondContact O-CB 3.38Å; Q53-K56 PolarHBondContact O-N 2.86Å
54L98.2Very high97.6Very high0 Ų057.4 Ų57.40%031%0.313CS..Hα-helixtrans-63.5-40177.5-72.7166000112.2V17 I20 C50 L51 K56 L57 Y63 V65 V108V17-L54 HydrophobicContact CB-CD2 4.49Å; V17-L54 HydrophobicContact CG1-CD2 4.2Å; V17-L54 HydrophobicContact CG2-CD2 3.88Å; I20-L54 HydrophobicContact CD1-CD2 4.06Å; I20-L54 HydrophobicContact CG2-CG 4.41Å; C50-L54 HydrophobicContact CB-CD1 4.48Å; C50-L54 VanDerWaalsContact O-CB 3.31Å; C50-L54 WeakPolarHBondContact O-CB 3.11Å; C50-L54 WeakPolarHBondContact O-CD1 3.35Å; C50-L54 WeakPolarHBondContact O-CG 3.35Å; C50-L54 PolarHBondContact O-N 3.23Å; L51-L54 PolarHBondContact O-N 3.47Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 3.06Å; L54-L57 HydrophobicContact CD2-CD1 4.31Å; L54-L57 VanDerWaalsContact O-CB 3.31Å; L54-L57 WeakPolarHBondContact O-CB 3.24Å; L54-L57 WeakPolarHBondContact O-CG 3.35Å; L54-L57 PolarHBondContact O-N 3.17Å; L54-Y63 HydrophobicContact CB-CD1 4.24Å; L54-Y63 HydrophobicContact CB-CD2 3.83Å; L54-Y63 HydrophobicContact CB-CE1 4.22Å; L54-Y63 HydrophobicContact CB-CE2 3.81Å; L54-Y63 HydrophobicContact CB-CG 4.04Å; L54-Y63 HydrophobicContact CD1-CD1 4.07Å; L54-Y63 HydrophobicContact CD1-CG 4.13Å; L54-Y63 HydrophobicContact CD2-CD1 4.29Å; L54-Y63 HydrophobicContact CD2-CE1 4.01Å; L54-Y63 HydrophobicContact CG-CD1 4.44Å; L54-Y63 WeakPolarHBondContact O-CE2 3.46Å; L54-V65 HydrophobicContact CD1-CG2 3.95Å; L54-V108 HydrophobicContact CD1-CG1 3.66Å; L54-V108 HydrophobicContact CD1-CG2 4.38Å; L54-V108 HydrophobicContact CD2-CG1 4.43Å
55T96.5Very high97.6Very high89 Ų8955.7 Ų55.755%0.54630%0.3SS..Hα-helixtrans-68.8-30.5176.949.40000112.7L51 S52 Q53 L57 G58L51-T55 WeakPolarHBondContact O-CB 3.36Å; L51-T55 VanDerWaalsContact O-CG2 3.28Å; L51-T55 WeakPolarHBondContact O-CG2 3.47Å; L51-T55 PolarHBondContact O-N 3.02Å; L51-T55 PolarHBondContact O-OG1 3.4Å; S52-T55 PolarHBondContact O-OG1 2.93Å; Q53-T55 PolarHBondContact O-N 2.67Å; T55-L57 PolarHBondContact O-N 2.93Å; T55-G58 PolarHBondContact O-N 2.65Å
56K97.2Very high97.6Very high136 Ų13656.8 Ų56.859%0.59131%0.305SS*.Hα-helixtrans-67.3-17.2174.2-72.9169.3-166.2171.10113.8S52 Q53 L54 G58S52-K56 WeakPolarHBondContact O-CD 3.48Å; S52-K56 VanDerWaalsContact O-CG 3.26Å; S52-K56 WeakPolarHBondContact O-CG 3.39Å; S52-K56 PolarHBondContact O-N 3.38Å; Q53-K56 WeakPolarHBondContact O-CB 3.38Å; Q53-K56 PolarHBondContact O-N 2.86Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 3.06Å; K56-G58 PolarHBondContact O-N 3.02Å
57L95.5Very high97.6Very high50 Ų5057.7 Ų57.726%0.26231%0.312SS..THydrogen-bonded Turntrans-65.5-17.1173.7-58.4-178.5000112.4E16 I20 L54 T55 K59E16-L57 HydrophobicContact CG-CD1 4.12Å; E16-L57 HydrophobicContact CG-CD2 4.3Å; E16-L57 VanDerWaalsContact OE1-CD2 3.25Å; E16-L57 WeakPolarHBondContact OE1-CD2 3.47Å; I20-L57 HydrophobicContact CD1-CD1 3.84Å; I20-L57 HydrophobicContact CD1-CD2 4.14Å; I20-L57 HydrophobicContact CD1-CG 4.16Å; L54-L57 HydrophobicContact CD2-CD1 4.31Å; L54-L57 VanDerWaalsContact O-CB 3.31Å; L54-L57 WeakPolarHBondContact O-CB 3.24Å; L54-L57 WeakPolarHBondContact O-CG 3.35Å; L54-L57 PolarHBondContact O-N 3.17Å; T55-L57 PolarHBondContact O-N 2.93Å; L57-K59 HydrophobicContact CB-CD 4.41Å; L57-K59 HydrophobicContact CB-CG 3.98Å; L57-K59 PolarHBondContact O-N 3.17Å; L57-K59 VanDerWaalsContact O-N 3.1Å
58G94.7Very high97.5Very high69 Ų6958.5 Ų58.571%0.71132%0.318SS*.  trans67.39.217900000114.5T55 K56T55-G58 PolarHBondContact O-N 2.65Å; K56-G58 PolarHBondContact O-N 3.02Å
59K95.2Very high97.5Very high31 Ų3153.4 Ų53.414%0.13530%0.295CS..  trans-77.2146.9-179.1-59.5-168.8168.91780111.5E8 E9 T11 E16 L57 F61E8-K59 VanDerWaalsContact O-CE 3.26Å; E8-K59 WeakPolarHBondContact O-CE 3.08Å; E8-K59 PolarHBondContact O-NZ 3.13Å; E9-K59 VanDerWaalsContact O-CG 3.25Å; E9-K59 WeakPolarHBondContact O-CG 3.46Å; T11-K59 PolarHBondContact O-NZ 2.81Å; E16-K59 IonicContact OE2-NZ 2.75Å; E16-K59 PolarHBondContact OE2-NZ 2.93Å; L57-K59 HydrophobicContact CB-CD 4.41Å; L57-K59 HydrophobicContact CB-CG 3.98Å; L57-K59 PolarHBondContact O-N 3.17Å; L57-K59 VanDerWaalsContact O-N 3.1Å; K59-F61 HydrophobicContact CB-CD2 3.58Å; K59-F61 HydrophobicContact CB-CE2 3.97Å; K59-F61 HydrophobicContact CD-CD2 4.47Å; K59-F61 HydrophobicContact CD-CE2 4.25Å; K59-F61 PolarHBondContact O-N 3.41Å
60P95.4Very high97.4Very high60 Ų6051.3 Ų51.339%0.3929%0.286SS..SBendtrans-78.261.4-174.434.3-37.7000112.5T10 I113T10-P60 HydrophobicContact CG2-CG 4.32Å; P60-I113 PolarHBondContact O-N 3.36Å
61F97.1Very high97.4Very high14 Ų1455.8 Ų55.86%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-122.2142.3-177.1-72.4-66.1000112.7T10 F12 K59 Y63 T89 L111 A112T10-F61 WeakPolarHBondContact O-CZ 3.31Å; F12-F61 HydrophobicContact CB-CE1 4.37Å; F12-F61 HydrophobicContact CB-CE2 4.38Å; F12-F61 HydrophobicContact CB-CZ 3.93Å; K59-F61 HydrophobicContact CB-CD2 3.58Å; K59-F61 HydrophobicContact CB-CE2 3.97Å; K59-F61 HydrophobicContact CD-CD2 4.47Å; K59-F61 HydrophobicContact CD-CE2 4.25Å; K59-F61 PolarHBondContact O-N 3.41Å; F61-Y63 HydrophobicContact CB-CD1 4.23Å; F61-Y63 HydrophobicContact CB-CD2 4.37Å; F61-Y63 HydrophobicContact CB-CE1 3.7Å; F61-Y63 HydrophobicContact CB-CE2 3.86Å; F61-Y63 HydrophobicContact CD2-CE1 4.33Å; F61-Y63 HydrophobicContact CG-CE1 4.21Å; F61-T89 VanDerWaalsContact CE1-O 3.28Å; F61-T89 WeakPolarHBondContact CE1-O 3.28Å; F61-L111 CarbonylContact C-O 3.48Å; F61-L111 WeakPolarHBondContact CA-O 3.46Å; F61-L111 VanDerWaalsContact CD1-C 3.46Å; F61-A112 HydrophobicContact CD1-CB 4.37Å; F61-A112 HydrophobicContact CE1-CB 4.04Å
62K97.5Very high97.3Very high137 Ų13755.8 Ų55.860%0.59630%0.304SS*.EExtended strand (participates in β ladder)trans-85.5123.5154.2-71.7169.6-173.2165.20108.3L111 I113K62-L111 PolarHBondContact N-O 3.19Å; K62-L111 PolarHBondContact O-N 3.24Å; K62-I113 HydrophobicContact CG-CD1 4.2Å; K62-I113 HydrophobicContact CG-CG1 3.96Å
63Y98.2Very high97.2Very high33 Ų3357.9 Ų57.913%0.12932%0.319CS..EExtended strand (participates in β ladder)trans-100.5138.4179.3-62.9-71.9000112.2F12 L54 F61 V108 F109F12-Y63 HydrophobicContact CE2-CE1 4.45Å; L54-Y63 HydrophobicContact CB-CD1 4.24Å; L54-Y63 HydrophobicContact CB-CD2 3.83Å; L54-Y63 HydrophobicContact CB-CE1 4.22Å; L54-Y63 HydrophobicContact CB-CE2 3.81Å; L54-Y63 HydrophobicContact CB-CG 4.04Å; L54-Y63 HydrophobicContact CD1-CD1 4.07Å; L54-Y63 HydrophobicContact CD1-CG 4.13Å; L54-Y63 HydrophobicContact CD2-CD1 4.29Å; L54-Y63 HydrophobicContact CD2-CE1 4.01Å; L54-Y63 HydrophobicContact CG-CD1 4.44Å; L54-Y63 WeakPolarHBondContact O-CE2 3.46Å; F61-Y63 HydrophobicContact CB-CD1 4.23Å; F61-Y63 HydrophobicContact CB-CD2 4.37Å; F61-Y63 HydrophobicContact CB-CE1 3.7Å; F61-Y63 HydrophobicContact CB-CE2 3.86Å; F61-Y63 HydrophobicContact CD2-CE1 4.33Å; F61-Y63 HydrophobicContact CG-CE1 4.21Å; Y63-V108 HydrophobicContact CD1-CG1 4.37Å; Y63-F109 CarbonylContact C-O 3.53Å; Y63-F109 VanDerWaalsContact CA-O 3.32Å; Y63-F109 WeakPolarHBondContact CA-O 3.35Å
64I98.3Very high97Very high87 Ų8759.4 Ų59.445%0.44635%0.348SS..EExtended strand (participates in β ladder)trans-121.6126.1168.9-54171000107V108 F109 L111I64-V108 CarbonylContact O-C 3.55Å; I64-V108 WeakPolarHBondContact O-CA 3.5Å; I64-F109 HydrophobicContact CB-CB 4.17Å; I64-F109 HydrophobicContact CB-CD2 4.08Å; I64-F109 HydrophobicContact CG2-CD2 4.19Å; I64-F109 PolarHBondContact N-O 3.1Å; I64-F109 PolarHBondContact O-N 3.46Å; I64-L111 HydrophobicContact CD1-CD1 3.95Å; I64-L111 HydrophobicContact CG1-CD1 4.34Å
65V98.6Very high96.7Very high17 Ų1762.3 Ų62.310%0.10337%0.372CS..EExtended strand (participates in β ladder)trans-121.5128.1178.4-174.30000109.2I47 C50 L51 L54 V106 T107 V108I47-V65 HydrophobicContact CG1-CG1 4.17Å; I47-V65 HydrophobicContact CG2-CB 4.34Å; C50-V65 HydrophobicContact CB-CG1 4.12Å; C50-V65 HydrophobicContact CB-CG2 4.25Å; L51-V65 HydrophobicContact CD2-CG2 3.72Å; L51-V65 HydrophobicContact CG-CG2 3.96Å; L54-V65 HydrophobicContact CD1-CG2 3.95Å; V65-V106 HydrophobicContact CG1-CG1 3.88Å; V65-T107 WeakPolarHBondContact CA-O 3.48Å; V65-V108 HydrophobicContact CG1-CG2 4.28Å; V65-V108 HydrophobicContact CG2-CG1 4.36Å; V65-V108 HydrophobicContact CG2-CG2 4.15Å
66T98.2Very high96.6Very high60 Ų6061.7 Ų61.737%0.36838%0.383SS..EExtended strand (participates in β ladder)trans-115.9143172.961.60000108.9V106 T107 F109T66-V106 CarbonylContact O-C 3.6Å; T66-V106 WeakPolarHBondContact O-CA 3.33Å; T66-V106 WeakPolarHBondContact O-CG1 3.25Å; T66-T107 PolarHBondContact N-O 3.48Å; T66-T107 PolarHBondContact O-N 3.33Å; T66-T107 WeakPolarHBondContact OG1-CB 3.45Å; T66-T107 PolarHBondContact OG1-O 3.15Å; T66-F109 HydrophobicContact CG2-CE2 4.43Å
67C98.4Very high96.4Very high19 Ų1959 Ų5913%0.12838%0.375CS..EExtended strand (participates in β ladder)trans-136.4124.7179.3-1790000109.7T43 I47 V106T43-C67 HydrophobicContact CG2-CB 4.47Å; I47-C67 HydrophobicContact CD1-CB 3.95Å; I47-C67 HydrophobicContact CG1-CB 3.82Å; C67-V106 HydrophobicContact CB-CG2 4.12Å
68V97.9Very high96.4Very high62 Ų6264.7 Ų64.738%0.37640%0.4SS..EExtended strand (participates in β ladder)trans-118125.7174.3179.20000108.4L77 F104 I105V68-L77 HydrophobicContact CG1-CD2 4.02Å; V68-F104 CarbonylContact O-C 3.58Å; V68-F104 WeakPolarHBondContact O-CA 3.46Å; V68-I105 HydrophobicContact CB-CB 4.34Å; V68-I105 PolarHBondContact N-O 2.87Å; V68-I105 PolarHBondContact O-N 3.34Å
69I97.7Very high96.4Very high20 Ų2064.4 Ų64.410%0.10339%0.385CS..EExtended strand (participates in β ladder)trans-111.8127.6173.7-54.9177.6000108.4Y34 V39 W42 T43 M102 Y103 F104Y34-I69 HydrophobicContact CD2-CG2 4.48Å; Y34-I69 HydrophobicContact CE2-CG2 4.42Å; V39-I69 HydrophobicContact CG1-CB 4.12Å; V39-I69 HydrophobicContact CG1-CD1 4.33Å; V39-I69 HydrophobicContact CG2-CG2 4.4Å; W42-I69 HydrophobicContact CB-CD1 3.64Å; W42-I69 HydrophobicContact CE3-CD1 4.36Å; T43-I69 HydrophobicContact CG2-CD1 3.62Å; T43-I69 HydrophobicContact CG2-CG1 3.82Å; I69-M102 HydrophobicContact CG2-SD 4.17Å; I69-Y103 WeakPolarHBondContact CA-O 3.26Å; I69-F104 HydrophobicContact CD1-CD1 4.02Å; I69-F104 HydrophobicContact CD1-CE1 3.3Å; I69-F104 HydrophobicContact CD1-CE2 4.41Å; I69-F104 HydrophobicContact CD1-CZ 3.54Å; I69-F104 HydrophobicContact CG1-CD1 3.74Å; I69-F104 HydrophobicContact CG1-CE1 3.56Å; I69-F104 HydrophobicContact CG1-CE2 4.39Å; I69-F104 HydrophobicContact CG1-CG 4.25Å; I69-F104 HydrophobicContact CG1-CZ 3.91Å; I69-F104 HydrophobicContact CG2-CD2 4.48Å; I69-F104 HydrophobicContact CG2-CE2 4.1Å; I69-F104 HydrophobicContact CG2-CZ 4.21Å
70M97.4Very high96.3Very high36 Ų3667.1 Ų67.118%0.17741%0.413CS..EExtended strand (participates in β ladder)trans-128.4132.7179.3-175.3179.871.200111.5L77 M102 Y103M70-L77 HydrophobicContact CB-CD2 4.32Å; M70-L77 HydrophobicContact CE-CB 3.61Å; M70-L77 HydrophobicContact CE-CD2 4.43Å; M70-L77 HydrophobicContact SD-CB 3.63Å; M70-L77 HydrophobicContact SD-CD2 4.23Å; M70-L77 HydrophobicContact SD-CG 4.35Å; M70-M102 CarbonylContact O-C 3.49Å; M70-M102 WeakPolarHBondContact O-CA 3.46Å; M70-M102 VanDerWaalsContact O-CB 3.23Å; M70-M102 WeakPolarHBondContact O-CB 3.3Å; M70-Y103 HydrophobicContact CE-CD2 3.51Å; M70-Y103 HydrophobicContact CE-CE2 3.9Å; M70-Y103 HydrophobicContact CE-CG 4.48Å; M70-Y103 PolarHBondContact N-O 2.98Å; M70-Y103 PolarHBondContact O-N 3.25Å
71Q98Very high96.3Very high94 Ų9467.4 Ų67.444%0.43942%0.416SS..EExtended strand (participates in β ladder)trans-65.6139.4171.1-171.31766.500111.6Y34 S73Y34-Q71 HydrophobicContact CD1-CB 3.84Å; Y34-Q71 HydrophobicContact CD1-CG 3.59Å; Y34-Q71 HydrophobicContact CD2-CB 3.96Å; Y34-Q71 HydrophobicContact CD2-CG 4.39Å; Y34-Q71 HydrophobicContact CE1-CB 3.72Å; Y34-Q71 HydrophobicContact CE1-CG 3.86Å; Y34-Q71 HydrophobicContact CE2-CB 3.85Å; Y34-Q71 HydrophobicContact CG-CB 3.95Å; Y34-Q71 HydrophobicContact CG-CG 3.87Å; Q71-S73 PolarHBondContact O-N 3.37Å; Q71-S73 VanDerWaalsContact O-N 3.11Å
72K96.9Very high96.2Very high60 Ų6072.7 Ų72.726%0.26146%0.455SS..  trans-77.991.4169.2-73.9-179175.7-165.60110.4E98 N99 S101 Y103K72-E98 WeakPolarHBondContact CE-OE2 3.49Å; K72-E98 IonicContact NZ-OE2 2.63Å; K72-E98 PolarHBondContact NZ-OE2 3.42Å; K72-N99 WeakPolarHBondContact CD-O 3.4Å; K72-N99 WeakPolarHBondContact CE-O 3.45Å; K72-N99 PolarHBondContact NZ-O 2.84Å; K72-S101 WeakPolarHBondContact CB-O 3.42Å; K72-S101 PolarHBondContact N-O 3.26Å; K72-Y103 HydrophobicContact CD-CE2 4.15Å; K72-Y103 VanDerWaalsContact CE-CE1 3.48Å; K72-Y103 HydrophobicContact CG-CD2 3.78Å; K72-Y103 HydrophobicContact CG-CE2 3.42Å; K72-Y103 VanDerWaalsContact CG-CE2 3.42Å
73S95.1Very high96Very high90 Ų9068.7 Ų68.763%0.62944%0.444SS*.SBendtrans-120.212.8176.556.40000113.3Q71Q71-S73 PolarHBondContact O-N 3.37Å; Q71-S73 VanDerWaalsContact O-N 3.11Å
74G94.1Very high95.9Very high84 Ų8478.7 Ų78.787%0.86648%0.483SS*.SBendtrans90.7-5.9-175.900000114.4
75A93.8Very high95.8Very high60 Ų6078.3 Ų78.350%0.49648%0.476SS..  trans-72.9147.8172.700000112.2
76G92.8Very high95.6Very high76 Ų7681 Ų8178%0.78449%0.489SS*.  trans-88.5156.5169.900000112.2
77L94.3Very high95.3Very high80 Ų8083.1 Ų83.142%0.41951%0.507SS..  trans-133.4130.1172.7177.665000109.3V68 M70 T79 I105V68-L77 HydrophobicContact CG1-CD2 4.02Å; M70-L77 HydrophobicContact CB-CD2 4.32Å; M70-L77 HydrophobicContact CE-CB 3.61Å; M70-L77 HydrophobicContact CE-CD2 4.43Å; M70-L77 HydrophobicContact SD-CB 3.63Å; M70-L77 HydrophobicContact SD-CD2 4.23Å; M70-L77 HydrophobicContact SD-CG 4.35Å; L77-T79 HydrophobicContact CD1-CG2 4.28Å; L77-T79 HydrophobicContact CD2-CG2 4.12Å; L77-T79 HydrophobicContact CG-CG2 4.01Å; L77-I105 HydrophobicContact CD2-CG1 3.9Å
78H94.8Very high95Very high169 Ų16987.4 Ų87.478%0.78253%0.533SS*.  trans-117.1119171.7-174.3-89.7000108.9
79T94.3Very high94.7Very high64 Ų6486.9 Ų86.939%0.39353%0.53SS..  trans-115.6129.6174.757.20000108.7L77 I105L77-T79 HydrophobicContact CD1-CG2 4.28Å; L77-T79 HydrophobicContact CD2-CG2 4.12Å; L77-T79 HydrophobicContact CG-CG2 4.01Å; T79-I105 HydrophobicContact CG2-CG2 4.14Å
80A94.7Very high94.6Very high88 Ų8887.2 Ų87.273%0.72753%0.532SS*.  trans-133.3148.6173.800000109.4
81S93.5Very high94.5Very high66 Ų6686 Ų8646%0.46253%0.528SS..  trans-123.1148.7171.552.10000109.1
82S95.4Very high94.5Very high124 Ų12482.9 Ų82.987%0.86752%0.517SS*.  trans-130.6136.2172.4-176.80000107.8
83C93.8Very high94.5Very high54 Ų5480.2 Ų80.237%0.36551%0.506SS..  trans-136.2143.7-173.9-54.90000109.8W85C83-W85 HydrophobicContact CB-CD2 3.53Å; C83-W85 HydrophobicContact CB-CE3 3.57Å; C83-W85 HydrophobicContact CB-CG 4.23Å; C83-W85 HydrophobicContact CB-CH2 3.71Å; C83-W85 HydrophobicContact CB-CZ2 3.7Å; C83-W85 HydrophobicContact CB-CZ3 3.66Å; C83-W85 WeakPolarHBondContact SG-CH2 3.36Å; C83-W85 WeakPolarHBondContact SG-CZ3 3.26Å
84Y96.3Very high94.6Very high242 Ų24279.2 Ų79.295%0.94950%0.496SS*.  trans-125.7105.6169.2-179.8-111.4000107.6
85W95.9Very high94.8Very high80 Ų8075.6 Ų75.630%0.30346%0.457SS..SBendtrans-161.9-178.2-165.965.124.3000111.4C83 S87 D90 F109C83-W85 HydrophobicContact CB-CD2 3.53Å; C83-W85 HydrophobicContact CB-CE3 3.57Å; C83-W85 HydrophobicContact CB-CG 4.23Å; C83-W85 HydrophobicContact CB-CH2 3.71Å; C83-W85 HydrophobicContact CB-CZ2 3.7Å; C83-W85 HydrophobicContact CB-CZ3 3.66Å; C83-W85 WeakPolarHBondContact SG-CH2 3.36Å; C83-W85 WeakPolarHBondContact SG-CZ3 3.26Å; W85-S87 PolarHBondContact O-N 3.48Å; W85-D90 HydrophobicContact CB-CB 4.08Å; W85-D90 VanDerWaalsContact CB-OD2 3.31Å; W85-D90 WeakPolarHBondContact CB-OD2 3.15Å; W85-D90 HydrophobicContact CD2-CB 3.78Å; W85-D90 HydrophobicContact CE3-CB 4.11Å; W85-D90 HydrophobicContact CG-CB 3.75Å; W85-F109 AromaticContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CE1 4.36Å; W85-F109 HydrophobicContact CZ3-CB 4.28Å; W85-F109 AromaticContact CZ3-CD1 3.64Å; W85-F109 HydrophobicContact CZ3-CD1 3.64Å; W85-F109 HydrophobicContact CZ3-CG 4.43Å
86D94.7Very high94.9Very high72 Ų7278.3 Ų78.339%0.38546%0.458SS..  trans-83109.4175-179.3-5000110.8T88 T89 D90D86-T88 VanDerWaalsContact CG-OG1 3.23Å; D86-T88 PolarHBondContact O-N 2.75Å; D86-T88 VanDerWaalsContact O-N 3.08Å; D86-T88 WeakPolarHBondContact OD1-CB 3.44Å; D86-T88 PolarHBondContact OD1-N 2.8Å; D86-T88 PolarHBondContact OD1-OG1 2.92Å; D86-T88 PolarHBondContact OD2-OG1 2.62Å; D86-T89 WeakPolarHBondContact CB-OG1 3.42Å; D86-T89 PolarHBondContact O-N 2.98Å; D86-T89 PolarHBondContact OD2-OG1 2.91Å; D86-D90 PolarHBondContact N-OD2 3.31Å; D86-D90 WeakPolarHBondContact O-CA 3.38Å; D86-D90 VanDerWaalsContact O-CB 3.23Å; D86-D90 WeakPolarHBondContact O-CB 3.37Å; D86-D90 PolarHBondContact O-N 3.34Å
87S91.7Very high95.2Very high105 Ų10576.5 Ų76.573%0.73443%0.427SS*.THydrogen-bonded Turntrans-67.4-6.8-179.657.30000115W85W85-S87 PolarHBondContact O-N 3.48Å
88T91.4Very high95.3Very high110 Ų11076.7 Ų76.768%0.67543%0.426SS*.THydrogen-bonded Turntrans-91.1-31.8177.267.70000112.7D86D86-T88 VanDerWaalsContact CG-OG1 3.23Å; D86-T88 PolarHBondContact O-N 2.75Å; D86-T88 VanDerWaalsContact O-N 3.08Å; D86-T88 WeakPolarHBondContact OD1-CB 3.44Å; D86-T88 PolarHBondContact OD1-N 2.8Å; D86-T88 PolarHBondContact OD1-OG1 2.92Å; D86-T88 PolarHBondContact OD2-OG1 2.62Å
89T92.3Very high95.4Very high50 Ų5070.2 Ų70.231%0.30740%0.397SS..THydrogen-bonded Turntrans-113.1-35-173.953.40000112.3F61 D86F61-T89 VanDerWaalsContact CE1-O 3.28Å; F61-T89 WeakPolarHBondContact CE1-O 3.28Å; D86-T89 WeakPolarHBondContact CB-OG1 3.42Å; D86-T89 PolarHBondContact O-N 2.98Å; D86-T89 PolarHBondContact OD2-OG1 2.91Å
90D95.6Very high95.5Very high27 Ų2777.1 Ų77.114%0.14442%0.422CS..  trans-91152.4-177.3-53.1-45.5000112.1W85 D86 G110 L111 A112W85-D90 HydrophobicContact CB-CB 4.08Å; W85-D90 VanDerWaalsContact CB-OD2 3.31Å; W85-D90 WeakPolarHBondContact CB-OD2 3.15Å; W85-D90 HydrophobicContact CD2-CB 3.78Å; W85-D90 HydrophobicContact CE3-CB 4.11Å; W85-D90 HydrophobicContact CG-CB 3.75Å; D86-D90 PolarHBondContact N-OD2 3.31Å; D86-D90 WeakPolarHBondContact O-CA 3.38Å; D86-D90 VanDerWaalsContact O-CB 3.23Å; D86-D90 WeakPolarHBondContact O-CB 3.37Å; D86-D90 PolarHBondContact O-N 3.34Å; D90-G110 WeakPolarHBondContact CA-O 3.28Å; D90-L111 WeakPolarHBondContact OD1-CA 3.42Å; D90-A112 PolarHBondContact OD1-N 3.29Å
91G96.2Very high95.6Very high10 Ų1074.2 Ų74.210%0.10340%0.396CS..EExtended strand (participates in β ladder)trans-157.4163.8-179.300000114.2F109 G110G91-F109 CarbonylContact O-C 3.57Å; G91-F109 WeakPolarHBondContact O-CA 3.31Å; G91-G110 PolarHBondContact N-O 2.77Å; G91-G110 PolarHBondContact O-N 3.34Å
92S97.2Very high95.8Very high30 Ų3071.1 Ų71.121%0.2137%0.374CS..EExtended strand (participates in β ladder)trans-137.7160.7167.355.80000112.4V108S92-V108 CarbonylContact C-O 3.53Å; S92-V108 WeakPolarHBondContact CA-O 3.26Å; S92-V108 VanDerWaalsContact CB-O 3.25Å; S92-V108 WeakPolarHBondContact CB-O 3.27Å
93C95.9Very high95.9Very high4 Ų468.1 Ų68.13%0.02735%0.345CS..EExtended strand (participates in β ladder)trans-142.9127.2173.61720000109.5F12 V17 K18 T107 V108F12-C93 HydrophobicContact CE1-CB 4.12Å; F12-C93 HydrophobicContact CZ-CB 4.26Å; V17-C93 HydrophobicContact CG1-CB 4.16Å; K18-C93 WeakPolarHBondContact CG-SG 3.14Å; C93-T107 WeakPolarHBondContact O-CA 3.18Å; C93-V108 PolarHBondContact N-O 3.45Å; C93-V108 PolarHBondContact O-N 3.04Å
94T97.8Very high96.1Very high69 Ų6965.6 Ų65.642%0.42333%0.327SS..EExtended strand (participates in β ladder)trans-103.9125.4169.6-59.40000109.9I105 V106 T107T94-I105 HydrophobicContact CG2-CG2 3.71Å; T94-V106 CarbonylContact C-O 3.57Å; T94-V106 WeakPolarHBondContact CA-O 3.21Å; T94-T107 WeakPolarHBondContact CG2-OG1 3.35Å; T94-T107 VanDerWaalsContact OG1-CG2 3.31Å; T94-T107 WeakPolarHBondContact OG1-CG2 3.19Å; T94-T107 PolarHBondContact OG1-OG1 3.33Å
95V98Very high96.2Very high8 Ų855 Ų555%0.04829%0.287CS..EExtended strand (participates in β ladder)trans-109.6126.9174.2178.70000109.3K18 V21 K22 I105 V106K18-V95 HydrophobicContact CB-CG2 4.18Å; K18-V95 HydrophobicContact CG-CG2 3.94Å; V21-V95 HydrophobicContact CB-CB 4.31Å; V21-V95 HydrophobicContact CB-CG2 3.94Å; V21-V95 HydrophobicContact CG1-CB 3.64Å; V21-V95 HydrophobicContact CG1-CG1 3.99Å; V21-V95 HydrophobicContact CG1-CG2 3.83Å; V21-V95 HydrophobicContact CG2-CG2 4.48Å; K22-V95 HydrophobicContact CG-CG1 3.95Å; V95-I105 WeakPolarHBondContact O-CA 3.31Å; V95-V106 PolarHBondContact N-O 3.01Å; V95-V106 PolarHBondContact O-N 2.78Å
96K97.2Very high96.3Very high117 Ų11751.2 Ų51.251%0.50927%0.272SS..EExtended strand (participates in β ladder)trans-98.9122.4165.7178-177172.2-148.20108.9E98 F104 I105K96-E98 WeakPolarHBondContact CE-OE1 3.47Å; K96-E98 IonicContact NZ-OE1 2.83Å; K96-E98 PolarHBondContact NZ-OE1 2.78Å; K96-F104 WeakPolarHBondContact CA-O 3.35Å; K96-I105 HydrophobicContact CB-CD1 3.85Å; K96-I105 HydrophobicContact CD-CD1 4.26Å; K96-I105 HydrophobicContact CG-CD1 3.67Å
97W97.6Very high96.5Very high38 Ų3848.3 Ų48.314%0.14426%0.258CS..EExtended strand (participates in β ladder)trans-120.5148.2168.6-177.399.7000109.2I25 E26 I29 N99 Y103 F104I25-W97 HydrophobicContact CD1-CB 3.82Å; I25-W97 HydrophobicContact CD1-CG 4.46Å; I25-W97 HydrophobicContact CG2-CB 4.19Å; I25-W97 HydrophobicContact CG2-CD2 3.56Å; I25-W97 HydrophobicContact CG2-CE3 3.71Å; I25-W97 HydrophobicContact CG2-CG 3.79Å; I25-W97 HydrophobicContact CG2-CZ3 4.27Å; E26-W97 HydrophobicContact CG-CZ2 4.46Å; E26-W97 PolarHBondContact OE1-NE1 3.43Å; I29-W97 HydrophobicContact CG2-CH2 3.43Å; I29-W97 VanDerWaalsContact CG2-CH2 3.43Å; I29-W97 HydrophobicContact CG2-CZ2 3.84Å; I29-W97 HydrophobicContact CG2-CZ3 3.96Å; W97-N99 HydrophobicContact CH2-CB 3.68Å; W97-N99 HydrophobicContact CZ2-CB 4.47Å; W97-N99 HydrophobicContact CZ3-CB 3.95Å; W97-Y103 CarbonylContact O-C 3.6Å; W97-F104 HydrophobicContact CB-CB 4.25Å; W97-F104 HydrophobicContact CE3-CB 4.43Å; W97-F104 AromaticContact CE3-CD2 3.62Å; W97-F104 HydrophobicContact CE3-CD2 3.62Å; W97-F104 HydrophobicContact CE3-CE2 4.2Å; W97-F104 HydrophobicContact CE3-CG 4.24Å; W97-F104 AromaticContact CZ3-CD2 3.88Å; W97-F104 HydrophobicContact CZ3-CD2 3.88Å; W97-F104 AromaticContact CZ3-CE2 4Å; W97-F104 HydrophobicContact CZ3-CE2 4Å; W97-F104 PolarHBondContact N-O 3.5Å; W97-F104 PolarHBondContact O-N 3.03Å
98E96.8Very high96.8Very high83 Ų8343.3 Ų43.339%0.38822%0.223SC..EExtended strand (participates in β ladder)trans-150.6150.2179.963-177.6111.100112.6K72 K96 M102 Y103K72-E98 WeakPolarHBondContact CE-OE2 3.49Å; K72-E98 IonicContact NZ-OE2 2.63Å; K72-E98 PolarHBondContact NZ-OE2 3.42Å; K96-E98 WeakPolarHBondContact CE-OE1 3.47Å; K96-E98 IonicContact NZ-OE1 2.83Å; K96-E98 PolarHBondContact NZ-OE1 2.78Å; E98-M102 WeakPolarHBondContact CA-O 3.2Å; E98-Y103 HydrophobicContact CB-CD1 3.65Å; E98-Y103 HydrophobicContact CB-CE1 4Å; E98-Y103 HydrophobicContact CG-CD1 4.46Å; E98-Y103 HydrophobicContact CG-CE1 4.43Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.25Å
99N96.4Very high97.1Very high34 Ų3439.2 Ų39.218%0.18220%0.196CC..  trans-123.5-167.1165.773.719.3000110.2S32 K72 W97 S101 M102S32-N99 PolarHBondContact O-ND2 2.82Å; K72-N99 WeakPolarHBondContact CD-O 3.4Å; K72-N99 WeakPolarHBondContact CE-O 3.45Å; K72-N99 PolarHBondContact NZ-O 2.84Å; W97-N99 HydrophobicContact CH2-CB 3.68Å; W97-N99 HydrophobicContact CZ2-CB 4.47Å; W97-N99 HydrophobicContact CZ3-CB 3.95Å; N99-S101 PolarHBondContact O-N 3.48Å; N99-S101 VanDerWaalsContact O-N 3.12Å; N99-S101 PolarHBondContact OD1-N 2.98Å; N99-S101 PolarHBondContact OD1-OG 3.47Å; N99-M102 PolarHBondContact N-O 3.47Å; N99-M102 VanDerWaalsContact N-O 3.11Å; N99-M102 PolarHBondContact OD1-N 3.26Å; N99-M102 VanDerWaalsContact OD1-N 3.13Å
100K96.4Very high97.4Very high209 Ų20936.9 Ų36.991%0.90918%0.181SC*.SBendtrans-61.5-21.3-178.5-63.8-174.4-179.11790114.5
101S97.3Very high97.5Very high27 Ų2738.1 Ų38.119%0.18919%0.188CC..SBendtrans-119.6-16.4-167.465.50000115.7S33 Y34 K72 N99S33-S101 WeakPolarHBondContact CA-OG 3.25Å; Y34-S101 PolarHBondContact N-OG 3.5Å; K72-S101 WeakPolarHBondContact CB-O 3.42Å; K72-S101 PolarHBondContact N-O 3.26Å; N99-S101 PolarHBondContact O-N 3.48Å; N99-S101 VanDerWaalsContact O-N 3.12Å; N99-S101 PolarHBondContact OD1-N 2.98Å; N99-S101 PolarHBondContact OD1-OG 3.47Å
102M97.4Very high97.4Very high0 Ų039.6 Ų39.60%020%0.198CC..EExtended strand (participates in β ladder)trans-158.4163.9-175.656.8-167178.400113.6I29 Y34 W42 I69 M70 E98 N99 F104I29-M102 HydrophobicContact CD1-CE 3.36Å; I29-M102 HydrophobicContact CG1-CE 3.37Å; Y34-M102 VanDerWaalsContact CA-SD 3.59Å; Y34-M102 HydrophobicContact CD2-CB 3.91Å; Y34-M102 HydrophobicContact CD2-SD 3.86Å; Y34-M102 HydrophobicContact CG-CB 4.43Å; Y34-M102 HydrophobicContact CG-SD 4.35Å; W42-M102 HydrophobicContact CE3-SD 4.49Å; W42-M102 HydrophobicContact CH2-CE 4.3Å; W42-M102 HydrophobicContact CZ3-CE 4.08Å; W42-M102 HydrophobicContact CZ3-SD 3.89Å; I69-M102 HydrophobicContact CG2-SD 4.17Å; M70-M102 CarbonylContact O-C 3.49Å; M70-M102 WeakPolarHBondContact O-CA 3.46Å; M70-M102 VanDerWaalsContact O-CB 3.23Å; M70-M102 WeakPolarHBondContact O-CB 3.3Å; E98-M102 WeakPolarHBondContact CA-O 3.2Å; N99-M102 PolarHBondContact N-O 3.47Å; N99-M102 VanDerWaalsContact N-O 3.11Å; N99-M102 PolarHBondContact OD1-N 3.26Å; N99-M102 VanDerWaalsContact OD1-N 3.13Å; M102-F104 HydrophobicContact CE-CE2 3.6Å; M102-F104 HydrophobicContact CE-CZ 4.15Å; M102-F104 HydrophobicContact CG-CE2 4.04Å; M102-F104 HydrophobicContact SD-CE2 3.85Å; M102-F104 HydrophobicContact SD-CZ 4.5Å
103Y97.2Very high97.2Very high62 Ų6245.8 Ų45.824%0.24323%0.227CC..EExtended strand (participates in β ladder)trans-110.4145.5170.7-61.8-78.1000110.4I69 M70 K72 W97 E98I69-Y103 WeakPolarHBondContact CA-O 3.26Å; M70-Y103 HydrophobicContact CE-CD2 3.51Å; M70-Y103 HydrophobicContact CE-CE2 3.9Å; M70-Y103 HydrophobicContact CE-CG 4.48Å; M70-Y103 PolarHBondContact N-O 2.98Å; M70-Y103 PolarHBondContact O-N 3.25Å; K72-Y103 HydrophobicContact CD-CE2 4.15Å; K72-Y103 VanDerWaalsContact CE-CE1 3.48Å; K72-Y103 HydrophobicContact CG-CD2 3.78Å; K72-Y103 HydrophobicContact CG-CE2 3.42Å; K72-Y103 VanDerWaalsContact CG-CE2 3.42Å; W97-Y103 CarbonylContact O-C 3.6Å; E98-Y103 HydrophobicContact CB-CD1 3.65Å; E98-Y103 HydrophobicContact CB-CE1 4Å; E98-Y103 HydrophobicContact CG-CD1 4.46Å; E98-Y103 HydrophobicContact CG-CE1 4.43Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.25Å
104F98.1Very high97.3Very high1 Ų147.9 Ų47.90%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-116.4127163.8-77.1-114.1000107.7I25 I29 V46 V68 I69 K96 W97 M102I25-F104 HydrophobicContact CD1-CB 4.07Å; I25-F104 HydrophobicContact CG1-CD1 4.24Å; I25-F104 HydrophobicContact CG2-CB 4.49Å; I25-F104 HydrophobicContact CG2-CD1 4.05Å; I25-F104 HydrophobicContact CG2-CD2 4.41Å; I25-F104 HydrophobicContact CG2-CE1 4.37Å; I25-F104 HydrophobicContact CG2-CG 4.07Å; I29-F104 HydrophobicContact CB-CZ 4.47Å; I29-F104 HydrophobicContact CD1-CZ 4.07Å; I29-F104 HydrophobicContact CG1-CE2 4.28Å; I29-F104 HydrophobicContact CG1-CZ 4.11Å; V46-F104 HydrophobicContact CG2-CE1 4.27Å; V68-F104 CarbonylContact O-C 3.58Å; V68-F104 WeakPolarHBondContact O-CA 3.46Å; I69-F104 HydrophobicContact CD1-CD1 4.02Å; I69-F104 HydrophobicContact CD1-CE1 3.3Å; I69-F104 HydrophobicContact CD1-CE2 4.41Å; I69-F104 HydrophobicContact CD1-CZ 3.54Å; I69-F104 HydrophobicContact CG1-CD1 3.74Å; I69-F104 HydrophobicContact CG1-CE1 3.56Å; I69-F104 HydrophobicContact CG1-CE2 4.39Å; I69-F104 HydrophobicContact CG1-CG 4.25Å; I69-F104 HydrophobicContact CG1-CZ 3.91Å; I69-F104 HydrophobicContact CG2-CD2 4.48Å; I69-F104 HydrophobicContact CG2-CE2 4.1Å; I69-F104 HydrophobicContact CG2-CZ 4.21Å; K96-F104 WeakPolarHBondContact CA-O 3.35Å; W97-F104 HydrophobicContact CB-CB 4.25Å; W97-F104 HydrophobicContact CE3-CB 4.43Å; W97-F104 AromaticContact CE3-CD2 3.62Å; W97-F104 HydrophobicContact CE3-CD2 3.62Å; W97-F104 HydrophobicContact CE3-CE2 4.2Å; W97-F104 HydrophobicContact CE3-CG 4.24Å; W97-F104 AromaticContact CZ3-CD2 3.88Å; W97-F104 HydrophobicContact CZ3-CD2 3.88Å; W97-F104 AromaticContact CZ3-CE2 4Å; W97-F104 HydrophobicContact CZ3-CE2 4Å; W97-F104 PolarHBondContact N-O 3.5Å; W97-F104 PolarHBondContact O-N 3.03Å; M102-F104 HydrophobicContact CE-CE2 3.6Å; M102-F104 HydrophobicContact CE-CZ 4.15Å; M102-F104 HydrophobicContact CG-CE2 4.04Å; M102-F104 HydrophobicContact SD-CE2 3.85Å; M102-F104 HydrophobicContact SD-CZ 4.5Å
105I98.1Very high97.3Very high19 Ų1946.7 Ų46.710%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-117.8107.3169.9-49.3-62.5000106.8V68 L77 T79 T94 V95 K96V68-I105 HydrophobicContact CB-CB 4.34Å; V68-I105 PolarHBondContact N-O 2.87Å; V68-I105 PolarHBondContact O-N 3.34Å; L77-I105 HydrophobicContact CD2-CG1 3.9Å; T79-I105 HydrophobicContact CG2-CG2 4.14Å; T94-I105 HydrophobicContact CG2-CG2 3.71Å; V95-I105 WeakPolarHBondContact O-CA 3.31Å; K96-I105 HydrophobicContact CB-CD1 3.85Å; K96-I105 HydrophobicContact CD-CD1 4.26Å; K96-I105 HydrophobicContact CG-CD1 3.67Å
106V98.5Very high97.2Very high0 Ų048.9 Ų48.90%024%0.238CC..EExtended strand (participates in β ladder)trans-112.9122.8179.7178.30000108.5V21 I25 V46 V65 T66 C67 T94 V95 V108V21-V106 HydrophobicContact CG1-CB 3.6Å; V21-V106 HydrophobicContact CG1-CG1 3.62Å; V21-V106 HydrophobicContact CG1-CG2 4.18Å; V21-V106 HydrophobicContact CG2-CG1 4.18Å; I25-V106 HydrophobicContact CD1-CG2 3.86Å; I25-V106 HydrophobicContact CG1-CG2 4.32Å; V46-V106 HydrophobicContact CG1-CG2 4.05Å; V65-V106 HydrophobicContact CG1-CG1 3.88Å; T66-V106 CarbonylContact O-C 3.6Å; T66-V106 WeakPolarHBondContact O-CA 3.33Å; T66-V106 WeakPolarHBondContact O-CG1 3.25Å; C67-V106 HydrophobicContact CB-CG2 4.12Å; T94-V106 CarbonylContact C-O 3.57Å; T94-V106 WeakPolarHBondContact CA-O 3.21Å; V95-V106 PolarHBondContact N-O 3.01Å; V95-V106 PolarHBondContact O-N 2.78Å; V106-V108 HydrophobicContact CG1-CG2 4.48Å
107T98.5Very high97.2Very high12 Ų1244.9 Ų44.97%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-113.9125174.7-53.10000109.8V65 T66 C93 T94 F109V65-T107 WeakPolarHBondContact CA-O 3.48Å; T66-T107 PolarHBondContact N-O 3.48Å; T66-T107 PolarHBondContact O-N 3.33Å; T66-T107 WeakPolarHBondContact OG1-CB 3.45Å; T66-T107 PolarHBondContact OG1-O 3.15Å; C93-T107 WeakPolarHBondContact O-CA 3.18Å; T94-T107 WeakPolarHBondContact CG2-OG1 3.35Å; T94-T107 VanDerWaalsContact OG1-CG2 3.31Å; T94-T107 WeakPolarHBondContact OG1-CG2 3.19Å; T94-T107 PolarHBondContact OG1-OG1 3.33Å; T107-F109 HydrophobicContact CG2-CD2 4.22Å; T107-F109 HydrophobicContact CG2-CE1 4.07Å; T107-F109 HydrophobicContact CG2-CE2 3.55Å; T107-F109 HydrophobicContact CG2-CZ 3.46Å; T107-F109 VanDerWaalsContact CG2-CZ 3.46Å
108V98.6Very high97.2Very high0 Ų045.3 Ų45.30%023%0.227CC..EExtended strand (participates in β ladder)trans-106.2134.1174.1-178.60000108.3F12 V17 V21 L54 Y63 I64 V65 S92 C93 V106F12-V108 HydrophobicContact CE2-CG1 4.29Å; F12-V108 HydrophobicContact CZ-CG1 4.33Å; V17-V108 HydrophobicContact CG1-CB 3.7Å; V17-V108 HydrophobicContact CG1-CG1 3.79Å; V17-V108 HydrophobicContact CG1-CG2 3.86Å; V21-V108 HydrophobicContact CG2-CG2 3.56Å; L54-V108 HydrophobicContact CD1-CG1 3.66Å; L54-V108 HydrophobicContact CD1-CG2 4.38Å; L54-V108 HydrophobicContact CD2-CG1 4.43Å; Y63-V108 HydrophobicContact CD1-CG1 4.37Å; I64-V108 CarbonylContact O-C 3.55Å; I64-V108 WeakPolarHBondContact O-CA 3.5Å; V65-V108 HydrophobicContact CG1-CG2 4.28Å; V65-V108 HydrophobicContact CG2-CG1 4.36Å; V65-V108 HydrophobicContact CG2-CG2 4.15Å; S92-V108 CarbonylContact C-O 3.53Å; S92-V108 WeakPolarHBondContact CA-O 3.26Å; S92-V108 VanDerWaalsContact CB-O 3.25Å; S92-V108 WeakPolarHBondContact CB-O 3.27Å; C93-V108 PolarHBondContact N-O 3.45Å; C93-V108 PolarHBondContact O-N 3.04Å; V106-V108 HydrophobicContact CG1-CG2 4.48Å
109F98.3Very high97.2Very high24 Ų2442.8 Ų42.811%0.10522%0.216CC..EExtended strand (participates in β ladder)trans-115.7133.5168.3-51.3-96000107.9Y63 I64 T66 W85 G91 T107 L111Y63-F109 CarbonylContact C-O 3.53Å; Y63-F109 VanDerWaalsContact CA-O 3.32Å; Y63-F109 WeakPolarHBondContact CA-O 3.35Å; I64-F109 HydrophobicContact CB-CB 4.17Å; I64-F109 HydrophobicContact CB-CD2 4.08Å; I64-F109 HydrophobicContact CG2-CD2 4.19Å; I64-F109 PolarHBondContact N-O 3.1Å; I64-F109 PolarHBondContact O-N 3.46Å; T66-F109 HydrophobicContact CG2-CE2 4.43Å; W85-F109 AromaticContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CE1 4.36Å; W85-F109 HydrophobicContact CZ3-CB 4.28Å; W85-F109 AromaticContact CZ3-CD1 3.64Å; W85-F109 HydrophobicContact CZ3-CD1 3.64Å; W85-F109 HydrophobicContact CZ3-CG 4.43Å; G91-F109 CarbonylContact O-C 3.57Å; G91-F109 WeakPolarHBondContact O-CA 3.31Å; T107-F109 HydrophobicContact CG2-CD2 4.22Å; T107-F109 HydrophobicContact CG2-CE1 4.07Å; T107-F109 HydrophobicContact CG2-CE2 3.55Å; T107-F109 HydrophobicContact CG2-CZ 3.46Å; T107-F109 VanDerWaalsContact CG2-CZ 3.46Å; F109-L111 HydrophobicContact CB-CD1 3.97Å
110G97.9Very high97.3Very high0 Ų043.4 Ų43.40%022%0.218CC..EExtended strand (participates in β ladder)trans-116.3120.317000000109.1D90 G91D90-G110 WeakPolarHBondContact CA-O 3.28Å; G91-G110 PolarHBondContact N-O 2.77Å; G91-G110 PolarHBondContact O-N 3.34Å
111L97.3Very high97.4Very high54 Ų5430.7 Ų30.728%0.28317%0.165SC..EExtended strand (participates in β ladder)trans-113.9122.2179.7-64.982.3000109.2F61 K62 I64 D90 F109F61-L111 CarbonylContact C-O 3.48Å; F61-L111 WeakPolarHBondContact CA-O 3.46Å; F61-L111 VanDerWaalsContact CD1-C 3.46Å; K62-L111 PolarHBondContact N-O 3.19Å; K62-L111 PolarHBondContact O-N 3.24Å; I64-L111 HydrophobicContact CD1-CD1 3.95Å; I64-L111 HydrophobicContact CG1-CD1 4.34Å; D90-L111 WeakPolarHBondContact OD1-CA 3.42Å; F109-L111 HydrophobicContact CB-CD1 3.97Å
112A95.5Very high97.4Very high40 Ų4031 Ų3133%0.33116%0.163SC..EExtended strand (participates in β ladder)trans-61.1146.6-177.600000110.7F61 D90F61-A112 HydrophobicContact CD1-CB 4.37Å; F61-A112 HydrophobicContact CE1-CB 4.04Å; D90-A112 PolarHBondContact OD1-N 3.29Å
113I93Very high97.4Very high160 Ų16033.8 Ų33.882%0.82118%0.178SC*.  trans-90.90-178.5-65.1175.2000111.3P60 K62P60-I113 PolarHBondContact O-N 3.36Å; K62-I113 HydrophobicContact CG-CD1 4.2Å; K62-I113 HydrophobicContact CG-CG1 3.96Å

Retrieved 113 of 113 residues in 24.9 ms (Link to these results)

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