A0A077Z771_TRITR Loading...

Protein-lysine N-methyltransferase TTRE_0000433501

S-adenosyl-L-methionine-dependent protein-lysine N-methyltransferase that methylates elongation factor 1-alpha.

AlphaFold DB , UniProt , Accession A0A077Z771, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 210 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
1M36.1Very low57.8Low234 Ų234133.3 Ų133.3100%1.15376%0.759SS**  0100.40-58.1-56-155.700106.2
2S43.3Very low60.5Low114 Ų114129.2 Ų129.280%0.79775%0.745SS**  trans-107.384.4178.956.10000107.6S4S2-S4 PolarHBondContact O-N 3.4Å
3D43.2Very low62.4Low143 Ų143121.9 Ų121.977%0.76571%0.71SS**  trans-83.687.4169.9-68.7-24.8000107.3D5D3-D5 PolarHBondContact O-N 3.2Å
4S50.8Low64.2Low103 Ų103124.2 Ų124.272%0.7270%0.701SS**  trans-82.879.8158.759.70000107.1S2 D6S2-S4 PolarHBondContact O-N 3.4Å; S4-D6 VanDerWaalsContact C-N 3.26Å; S4-D6 PolarHBondContact O-N 3Å
5D46.7Very low65.9Low149 Ų149124.1 Ų124.180%0.79769%0.692SS**  trans-66.993.2164.4-85.7-24.5000107.4D3 C7D3-D5 PolarHBondContact O-N 3.2Å; D5-C7 VanDerWaalsContact C-N 3.27Å; D5-C7 PolarHBondContact O-N 3.09Å
6D53.5Low67.2Low142 Ų142119.9 Ų119.976%0.75968%0.678SS**  trans-61.395.3165.9-106.9-20000107.3S4 T8S4-D6 VanDerWaalsContact C-N 3.26Å; S4-D6 PolarHBondContact O-N 3Å; D6-T8 PolarHBondContact O-N 2.99Å
7C55.7Low68.3Low135 Ų135118 Ų11891%0.91267%0.665SS**  trans-72.480.1-180-160.70000108.8D5D5-C7 VanDerWaalsContact C-N 3.27Å; D5-C7 PolarHBondContact O-N 3.09Å
8T63.8Low69.3Low105 Ų105119.4 Ų119.464%0.64467%0.665SS**PPolyproline II helixtrans-86133.7176.155.40000110.3D6 S10D6-T8 PolarHBondContact O-N 2.99Å; T8-S10 PolarHBondContact O-N 3.19Å
9L68.2Low70.5Confident103 Ų103119.8 Ų119.854%0.53966%0.661SS.*PPolyproline II helixtrans-52.1136.8172.7-71.6166.7000110.6A13 R14 L17L9-A13 HydrophobicContact CB-CB 4.35Å; L9-A13 HydrophobicContact CD2-CB 4.17Å; L9-R14 HydrophobicContact CB-CG 3.54Å; L9-R14 HydrophobicContact CD1-CG 4.24Å; L9-L17 HydrophobicContact CD1-CD2 4.47Å
10S87.4Confident71.1Confident65 Ų65119.3 Ų119.346%0.45565%0.652SS.*PPolyproline II helixtrans-57.1152171.966.70000110.3T8 S12 A13 R14T8-S10 PolarHBondContact O-N 3.19Å; S10-S12 PolarHBondContact O-N 2.72Å; S10-S12 PolarHBondContact OG-OG 2.95Å; S10-S12 VanDerWaalsContact OG-OG 3.08Å; S10-A13 PolarHBondContact O-N 2.95Å; S10-A13 WeakPolarHBondContact OG-CB 3.32Å; S10-A13 PolarHBondContact OG-N 3.06Å; S10-R14 PolarHBondContact O-N 2.99Å
11E86.8Confident71.5Confident173 Ų173118.4 Ų118.481%0.80865%0.646SS**Hα-helixtrans-53.5-42177.3-80.1-175.5146.700111.8A13 R14 Q15E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 2.82Å; E11-R14 PolarHBondContact O-N 3.06Å; E11-Q15 WeakPolarHBondContact O-CB 3.07Å; E11-Q15 PolarHBondContact O-N 2.97Å
12S90.7Very high73.6Confident84 Ų84109.7 Ų109.759%0.58761%0.612SS**Hα-helixtrans-60.7-40176.470.80000112.6S10 Q15 A16S10-S12 PolarHBondContact O-N 2.72Å; S10-S12 PolarHBondContact OG-OG 2.95Å; S10-S12 VanDerWaalsContact OG-OG 3.08Å; S12-Q15 PolarHBondContact O-N 3.22Å; S12-A16 WeakPolarHBondContact O-CB 3.32Å; S12-A16 PolarHBondContact O-N 2.95Å
13A84.5Confident75.2Confident35 Ų35110.6 Ų110.629%0.28960%0.603SS.*Hα-helixtrans-71-37.3178.600000111.7L9 S10 E11 L17L9-A13 HydrophobicContact CB-CB 4.35Å; L9-A13 HydrophobicContact CD2-CB 4.17Å; S10-A13 PolarHBondContact O-N 2.95Å; S10-A13 WeakPolarHBondContact OG-CB 3.32Å; S10-A13 PolarHBondContact OG-N 3.06Å; E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 2.82Å; A13-L17 WeakPolarHBondContact O-CB 3.42Å; A13-L17 PolarHBondContact O-N 3.22Å
14R87.7Confident76.2Confident154 Ų154108.3 Ų108.358%0.58159%0.588SS**Hα-helixtrans-66.1-40174.6-66.9-17987.9156.14111.6L9 S10 E11 L17 Q18L9-R14 HydrophobicContact CB-CG 3.54Å; L9-R14 HydrophobicContact CD1-CG 4.24Å; S10-R14 PolarHBondContact O-N 2.99Å; E11-R14 PolarHBondContact O-N 3.06Å; R14-L17 PolarHBondContact O-N 2.95Å; R14-Q18 PolarHBondContact O-N 3.19Å
15Q89.4Confident76.8Confident123 Ų123106.2 Ų106.258%0.57558%0.577SS**Hα-helixtrans-68.8-45.2-180-159.2168.79.800111.3E11 S12 L17 Q18 E19E11-Q15 WeakPolarHBondContact O-CB 3.07Å; E11-Q15 PolarHBondContact O-N 2.97Å; S12-Q15 PolarHBondContact O-N 3.22Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; Q15-L17 PolarHBondContact O-N 2.81Å; Q15-Q18 PolarHBondContact O-N 3.21Å; Q15-Q18 VanDerWaalsContact O-N 3.16Å; Q15-E19 PolarHBondContact O-N 3.47Å
16A87.4Confident77.5Confident56 Ų56105.1 Ų105.146%0.46357%0.57SS.*Hα-helixtrans-60.4-39.5173.600000112.4S12 F20S12-A16 WeakPolarHBondContact O-CB 3.32Å; S12-A16 PolarHBondContact O-N 2.95Å; A16-F20 WeakPolarHBondContact O-CB 3.33Å; A16-F20 PolarHBondContact O-N 2.63Å
17L85.5Confident77.5Confident88 Ų88101.7 Ų101.746%0.46156%0.562SS.*Hα-helixtrans-66.5-39.3175.7-173.866000111.9L9 A13 R14 Q15 F20 L21L9-L17 HydrophobicContact CD1-CD2 4.47Å; A13-L17 WeakPolarHBondContact O-CB 3.42Å; A13-L17 PolarHBondContact O-N 3.22Å; R14-L17 PolarHBondContact O-N 2.95Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; Q15-L17 PolarHBondContact O-N 2.81Å; L17-F20 PolarHBondContact O-N 3.32Å; L17-L21 HydrophobicContact CG-CD1 4.17Å; L17-L21 WeakPolarHBondContact O-CB 3.17Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.38Å
18Q87.6Confident77.1Confident143 Ų14399.5 Ų99.567%0.66854%0.541SS*.Hα-helixtrans-65.7-43.2175.8-98.8177.7-9.500112.5R14 Q15 L21 A22R14-Q18 PolarHBondContact O-N 3.19Å; Q15-Q18 PolarHBondContact O-N 3.21Å; Q15-Q18 VanDerWaalsContact O-N 3.16Å; Q18-L21 PolarHBondContact O-N 2.97Å; Q18-A22 WeakPolarHBondContact O-CB 2.92Å; Q18-A22 PolarHBondContact O-N 3.05Å
19E90.4Very high76.2Confident127 Ų12799.8 Ų99.859%0.59354%0.543SS*.Hα-helixtrans-60.2-47.4174.4-81.8178.616500111Q15 L21 A22 E23Q15-E19 PolarHBondContact O-N 3.47Å; E19-L21 PolarHBondContact O-N 2.66Å; E19-A22 PolarHBondContact O-N 2.61Å; E19-A22 VanDerWaalsContact O-N 3.17Å; E19-E23 WeakPolarHBondContact O-CG 3.42Å; E19-E23 PolarHBondContact O-N 3.3Å
20F84.2Confident75Confident109 Ų109102.1 Ų102.148%0.47856%0.555SS.*Hα-helixtrans-60.3-42.8177.5-179.7-103.3000113.1A16 L17 A22 E23 Q24A16-F20 WeakPolarHBondContact O-CB 3.33Å; A16-F20 PolarHBondContact O-N 2.63Å; L17-F20 PolarHBondContact O-N 3.32Å; F20-A22 VanDerWaalsContact C-N 3.35Å; F20-E23 PolarHBondContact O-N 3.24Å; F20-Q24 HydrophobicContact CE1-CG 4.32Å; F20-Q24 HydrophobicContact CZ-CG 4.33Å; F20-Q24 PolarHBondContact O-N 3.1Å
21L78.4Confident72.8Confident101 Ų101102.6 Ų102.653%0.52957%0.571SS.*Hα-helixtrans-66.9-36.3176.7-72.6170.9000112L17 Q18 E19 A25L17-L21 HydrophobicContact CG-CD1 4.17Å; L17-L21 WeakPolarHBondContact O-CB 3.17Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.38Å; Q18-L21 PolarHBondContact O-N 2.97Å; E19-L21 PolarHBondContact O-N 2.66Å; L21-A25 WeakPolarHBondContact O-CB 3.48Å; L21-A25 PolarHBondContact O-N 3.25Å
22A79.8Confident70.9Confident51 Ų51102.6 Ų102.642%0.42157%0.571SS.*Hα-helixtrans-68.8-40.6175.800000111.8Q18 E19 F20 A25 L26Q18-A22 WeakPolarHBondContact O-CB 2.92Å; Q18-A22 PolarHBondContact O-N 3.05Å; E19-A22 PolarHBondContact O-N 2.61Å; E19-A22 VanDerWaalsContact O-N 3.17Å; F20-A22 VanDerWaalsContact C-N 3.35Å; A22-A25 PolarHBondContact O-N 3.02Å; A22-L26 WeakPolarHBondContact O-CB 3.28Å; A22-L26 WeakPolarHBondContact O-CG 3.36Å; A22-L26 PolarHBondContact O-N 3.33Å
23E77.1Confident69.2Low133 Ų133101.2 Ų101.262%0.62156%0.561SS**Hα-helixtrans-62.6-43.7173.2-76.4-177.3167.300111.8E19 F20 A25 L26 A27E19-E23 WeakPolarHBondContact O-CG 3.42Å; E19-E23 PolarHBondContact O-N 3.3Å; F20-E23 PolarHBondContact O-N 3.24Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.9Å; E23-L26 PolarHBondContact O-N 2.73Å; E23-A27 WeakPolarHBondContact O-CB 3.07Å; E23-A27 PolarHBondContact O-N 3.26Å
24Q65.8Low68.7Low95 Ų95104.2 Ų104.244%0.44458%0.58SS.*Hα-helixtrans-64-38.8173.9-78.4-152.122.200112.7F20 L26 A27 N28F20-Q24 HydrophobicContact CE1-CG 4.32Å; F20-Q24 HydrophobicContact CZ-CG 4.33Å; F20-Q24 PolarHBondContact O-N 3.1Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 2.88Å; Q24-A27 PolarHBondContact O-N 2.83Å; Q24-N28 WeakPolarHBondContact O-CB 3.28Å; Q24-N28 PolarHBondContact O-N 2.95Å; Q24-N28 PolarHBondContact O-ND2 3.18Å
25A61.7Low68.6Low59 Ų5997.7 Ų97.749%0.48856%0.557SS.*Hα-helixtrans-63.5-39.5176.100000111.2L21 A22 E23 V29L21-A25 WeakPolarHBondContact O-CB 3.48Å; L21-A25 PolarHBondContact O-N 3.25Å; A22-A25 PolarHBondContact O-N 3.02Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.9Å; A25-V29 VanDerWaalsContact O-CG2 3.28Å; A25-V29 WeakPolarHBondContact O-CG2 3.47Å
26L62.4Low68.5Low126 Ų12699 Ų9966%0.6656%0.563SS**Hα-helixtrans-69.9-40.8175.8-77.5161.3000112.8A22 E23 Q24 N28 V29A22-L26 WeakPolarHBondContact O-CB 3.28Å; A22-L26 WeakPolarHBondContact O-CG 3.36Å; A22-L26 PolarHBondContact O-N 3.33Å; E23-L26 PolarHBondContact O-N 2.73Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 2.88Å; L26-N28 PolarHBondContact O-N 3.25Å; L26-V29 WeakPolarHBondContact O-CB 3.31Å; L26-V29 PolarHBondContact O-N 3.2Å
27A54Low68.6Low71 Ų7197.7 Ų97.759%0.58755%0.548SS*.Hα-helixtrans-64.1-31175.800000112.2E23 Q24 V29E23-A27 WeakPolarHBondContact O-CB 3.07Å; E23-A27 PolarHBondContact O-N 3.26Å; Q24-A27 PolarHBondContact O-N 2.83Å; A27-V29 VanDerWaalsContact C-N 3.27Å; A27-V29 PolarHBondContact O-N 2.98Å
28N46.7Very low68.7Low89 Ų8995.7 Ų95.748%0.47654%0.537SS..THydrogen-bonded Turntrans-77.3-5.4174.3-74.4-30.1000114Q24 L26 D30 S33Q24-N28 WeakPolarHBondContact O-CB 3.28Å; Q24-N28 PolarHBondContact O-N 2.95Å; Q24-N28 PolarHBondContact O-ND2 3.18Å; L26-N28 PolarHBondContact O-N 3.25Å; N28-D30 VanDerWaalsContact C-N 3.31Å; N28-S33 WeakPolarHBondContact OD1-CB 3.48Å
29V45.5Very low68.5Low111 Ų11196.5 Ų96.567%0.67353%0.534SS*.THydrogen-bonded Turntrans-76.9-20.1175.7-173.80000111.8A25 L26 A27 G31A25-V29 VanDerWaalsContact O-CG2 3.28Å; A25-V29 WeakPolarHBondContact O-CG2 3.47Å; L26-V29 WeakPolarHBondContact O-CB 3.31Å; L26-V29 PolarHBondContact O-N 3.2Å; A27-V29 VanDerWaalsContact C-N 3.27Å; A27-V29 PolarHBondContact O-N 2.98Å; V29-G31 PolarHBondContact O-N 3.12Å
30D41.7Very low68.4Low151 Ų15198.5 Ų98.581%0.80754%0.544SS*.SBendtrans-7854.6172.5-110.70.9000111.6N28 Q32N28-D30 VanDerWaalsContact C-N 3.31Å; D30-Q32 PolarHBondContact O-N 2.81Å
31G41.3Very low68.7Low75 Ų7595.2 Ų95.277%0.77353%0.531SS*.SBendtrans61.7-17.315100000120.9V29V29-G31 PolarHBondContact O-N 3.12Å
32Q47.3Very low69.4Low174 Ų17491.8 Ų91.881%0.81352%0.515SS*.  trans-15379.4-177.3-98.3169.9-13.400108.1D30 S34D30-Q32 PolarHBondContact O-N 2.81Å; Q32-S34 VanDerWaalsContact C-N 3.27Å; Q32-S34 PolarHBondContact O-N 2.82Å
33S54.8Low70Confident54 Ų5489.7 Ų89.738%0.37850%0.497SS..  trans-64.695.9161.964.60000107.2N28 V35N28-S33 WeakPolarHBondContact OD1-CB 3.48Å; S33-V35 PolarHBondContact O-N 2.82Å
34S74.4Confident70.7Confident99 Ų9985.5 Ų85.569%0.69248%0.477SS*.  trans-62.2127.3176.156.20000108.2Q32 E36Q32-S34 VanDerWaalsContact C-N 3.27Å; Q32-S34 PolarHBondContact O-N 2.82Å; S34-E36 PolarHBondContact O-N 2.84Å; S34-E36 VanDerWaalsContact O-N 3.13Å
35V84.5Confident72.1Confident16 Ų1683.1 Ų83.110%0.09746%0.464CS..  trans-73.4110.7-179.3179.90000107.6S33 W45 R101 F102S33-V35 PolarHBondContact O-N 2.82Å; V35-W45 PolarHBondContact O-NE1 3Å; V35-R101 HydrophobicContact CG1-CB 3.89Å; V35-R101 VanDerWaalsContact CG1-CZ 3.44Å; V35-R101 HydrophobicContact CG2-CB 4.09Å; V35-F102 HydrophobicContact CB-CD1 4.26Å; V35-F102 HydrophobicContact CB-CE1 3.62Å; V35-F102 HydrophobicContact CB-CE2 4.2Å; V35-F102 HydrophobicContact CB-CZ 3.58Å; V35-F102 HydrophobicContact CG1-CD2 4.38Å; V35-F102 HydrophobicContact CG1-CE1 4.13Å; V35-F102 HydrophobicContact CG1-CE2 3.76Å; V35-F102 HydrophobicContact CG1-CZ 3.61Å; V35-F102 HydrophobicContact CG2-CD1 3.84Å; V35-F102 HydrophobicContact CG2-CE1 3.71Å; V35-F102 HydrophobicContact CG2-CG 4.31Å; V35-F102 HydrophobicContact CG2-CZ 4.08Å
36E88.6Confident73.7Confident152 Ų15280.4 Ų80.471%0.7144%0.441SS*.  trans-65146.2175.6-65.8-167.2164.800111.6S34 N38 R101S34-E36 PolarHBondContact O-N 2.84Å; S34-E36 VanDerWaalsContact O-N 3.13Å; E36-N38 PolarHBondContact O-N 3.06Å; E36-R101 PolarHBondContact O-NH1 3.38Å; E36-R101 PolarHBondContact O-NH2 3.45Å
37E88.3Confident75.3Confident28 Ų2875.7 Ų75.713%0.13142%0.416CS..  trans-55.4128.9177.1-67.6178.6163.800111.9Q43 W45 R187E37-Q43 HydrophobicContact CB-CB 4.43Å; E37-W45 HydrophobicContact CG-CD2 3.71Å; E37-W45 VanDerWaalsContact CG-CE2 3.42Å; E37-W45 HydrophobicContact CG-CG 3.66Å; E37-W45 HydrophobicContact CG-CZ2 4.11Å; E37-W45 PolarHBondContact OE1-N 3.03Å; E37-R187 WeakPolarHBondContact OE2-CD 3.46Å; E37-R187 IonicContact OE2-CZ 2.64Å; E37-R187 IonicContact OE2-NE 2.89Å; E37-R187 PolarHBondContact OE2-NE 3.32Å; E37-R187 IonicContact OE2-NH1 2.74Å; E37-R187 PolarHBondContact OE2-NH1 2.72Å; E37-R187 IonicContact OE2-NH2 3.05Å; E37-R187 PolarHBondContact OE2-NH2 3.48Å
38N88.9Confident77.3Confident46 Ų4676.7 Ų76.725%0.24641%0.412CS..  trans-104.1106.6167.9-173.7-14.2000110.3E36 Q40 L41 S42 Q43E36-N38 PolarHBondContact O-N 3.06Å; N38-Q40 PolarHBondContact O-N 3.49Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.31Å; N38-Q40 PolarHBondContact OD1-N 2.9Å; N38-L41 HydrophobicContact CB-CB 4.28Å; N38-L41 HydrophobicContact CB-CD1 4.12Å; N38-L41 HydrophobicContact CB-CG 4.12Å; N38-L41 CarbonylContact O-C 3.58Å; N38-L41 WeakPolarHBondContact O-CA 3.45Å; N38-L41 PolarHBondContact O-N 2.85Å; N38-S42 PolarHBondContact O-N 3.04Å; N38-Q43 PolarHBondContact O-N 2.88Å
39W83.5Confident79.7Confident159 Ų15976.8 Ų76.860%0.60241%0.409SS*.G310 helixtrans-59-28.4178.3-70.380000113.5L41 S42 F44W39-L41 PolarHBondContact O-N 3.18Å; W39-S42 PolarHBondContact O-N 3.37Å; W39-S42 VanDerWaalsContact O-N 3.12Å; W39-F44 HydrophobicContact CD2-CE1 4.42Å; W39-F44 AromaticContact CE3-CE1 3.76Å; W39-F44 HydrophobicContact CE3-CE1 3.76Å; W39-F44 HydrophobicContact CE3-CZ 4.03Å; W39-F44 HydrophobicContact CH2-CE1 4.01Å; W39-F44 AromaticContact CZ3-CE1 3.53Å; W39-F44 HydrophobicContact CZ3-CE1 3.53Å; W39-F44 HydrophobicContact CZ3-CZ 4.05Å
40Q87.8Confident82.1Confident170 Ų17071.6 Ų71.679%0.79438%0.378SS*.G310 helixtrans-70.2-23176.4-60.7-176.2-27.600112.4N38 S42N38-Q40 PolarHBondContact O-N 3.49Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.31Å; N38-Q40 PolarHBondContact OD1-N 2.9Å; Q40-S42 VanDerWaalsContact C-N 3.34Å
41L90.8Very high84.8Confident40 Ų4064.7 Ų64.721%0.20934%0.342CS..G310 helixtrans-94.54.1174.2-58.1-177.2000112N38 W39 Q43 F98 D99N38-L41 HydrophobicContact CB-CB 4.28Å; N38-L41 HydrophobicContact CB-CD1 4.12Å; N38-L41 HydrophobicContact CB-CG 4.12Å; N38-L41 CarbonylContact O-C 3.58Å; N38-L41 WeakPolarHBondContact O-CA 3.45Å; N38-L41 PolarHBondContact O-N 2.85Å; W39-L41 PolarHBondContact O-N 3.18Å; L41-Q43 VanDerWaalsContact C-N 3.26Å; L41-Q43 HydrophobicContact CB-CG 3.98Å; L41-Q43 PolarHBondContact O-N 3.44Å; L41-F98 HydrophobicContact CD1-CD1 4.35Å; L41-F98 HydrophobicContact CD2-CD1 3.67Å; L41-F98 HydrophobicContact CD2-CE1 3.76Å; L41-D99 HydrophobicContact CD1-CB 3.72Å
42S91.7Very high87.5Confident28 Ų2865.7 Ų65.720%0.19633%0.326CS..THydrogen-bonded Turntrans56.840.5-177.9-158.20000112.6N38 W39 Q40 F44 P136N38-S42 PolarHBondContact O-N 3.04Å; W39-S42 PolarHBondContact O-N 3.37Å; W39-S42 VanDerWaalsContact O-N 3.12Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; S42-F44 WeakPolarHBondContact O-CD2 3.19Å; S42-P136 WeakPolarHBondContact CB-O 3.32Å; S42-P136 PolarHBondContact OG-O 3.14Å
43Q92.3Very high89.9Confident8 Ų860.6 Ų60.64%0.03730%0.299CS..  trans-85.1120.8178.7-74.4175.2-18.700110.9E37 N38 L41 W45 D99E37-Q43 HydrophobicContact CB-CB 4.43Å; N38-Q43 PolarHBondContact O-N 2.88Å; L41-Q43 VanDerWaalsContact C-N 3.26Å; L41-Q43 HydrophobicContact CB-CG 3.98Å; L41-Q43 PolarHBondContact O-N 3.44Å; Q43-W45 HydrophobicContact CB-CE3 4.41Å; Q43-W45 HydrophobicContact CB-CH2 3.5Å; Q43-W45 VanDerWaalsContact CB-CH2 3.5Å; Q43-W45 HydrophobicContact CB-CZ2 4.04Å; Q43-W45 HydrophobicContact CB-CZ3 3.69Å; Q43-W45 VanDerWaalsContact CD-CH2 3.41Å; Q43-W45 HydrophobicContact CG-CH2 3.48Å; Q43-W45 VanDerWaalsContact CG-CH2 3.48Å; Q43-W45 HydrophobicContact CG-CZ2 4.33Å; Q43-W45 HydrophobicContact CG-CZ3 3.87Å; Q43-D99 VanDerWaalsContact NE2-CB 3.31Å; Q43-D99 PolarHBondContact NE2-OD2 2.78Å
44F93.4Very high91.9Very high45 Ų4558 Ų5820%0.19728%0.281CS..  trans-134.4117.1175-57.3-76.5000108.7W39 S42 L189W39-F44 HydrophobicContact CD2-CE1 4.42Å; W39-F44 AromaticContact CE3-CE1 3.76Å; W39-F44 HydrophobicContact CE3-CE1 3.76Å; W39-F44 HydrophobicContact CE3-CZ 4.03Å; W39-F44 HydrophobicContact CH2-CE1 4.01Å; W39-F44 AromaticContact CZ3-CE1 3.53Å; W39-F44 HydrophobicContact CZ3-CE1 3.53Å; W39-F44 HydrophobicContact CZ3-CZ 4.05Å; S42-F44 WeakPolarHBondContact O-CD2 3.19Å; F44-L189 HydrophobicContact CB-CD1 4.11Å; F44-L189 HydrophobicContact CB-CD2 4.32Å; F44-L189 HydrophobicContact CD1-CD2 3.49Å; F44-L189 VanDerWaalsContact CD1-CD2 3.49Å; F44-L189 HydrophobicContact CE1-CD2 3.83Å; F44-L189 HydrophobicContact CG-CD1 4.17Å; F44-L189 HydrophobicContact CG-CD2 3.85Å; F44-L189 HydrophobicContact CZ-CD2 4.48Å
45W94.3Very high93.1Very high45 Ų4553.3 Ų53.317%0.1725%0.248CC..PPolyproline II helixtrans-81.9131-174.5-57.1157.5000111.4V35 E37 Q43 P76 F102 H185 H186V35-W45 PolarHBondContact O-NE1 3Å; E37-W45 HydrophobicContact CG-CD2 3.71Å; E37-W45 VanDerWaalsContact CG-CE2 3.42Å; E37-W45 HydrophobicContact CG-CG 3.66Å; E37-W45 HydrophobicContact CG-CZ2 4.11Å; E37-W45 PolarHBondContact OE1-N 3.03Å; Q43-W45 HydrophobicContact CB-CE3 4.41Å; Q43-W45 HydrophobicContact CB-CH2 3.5Å; Q43-W45 VanDerWaalsContact CB-CH2 3.5Å; Q43-W45 HydrophobicContact CB-CZ2 4.04Å; Q43-W45 HydrophobicContact CB-CZ3 3.69Å; Q43-W45 VanDerWaalsContact CD-CH2 3.41Å; Q43-W45 HydrophobicContact CG-CH2 3.48Å; Q43-W45 VanDerWaalsContact CG-CH2 3.48Å; Q43-W45 HydrophobicContact CG-CZ2 4.33Å; Q43-W45 HydrophobicContact CG-CZ3 3.87Å; W45-P76 HydrophobicContact CE3-CG 4.22Å; W45-P76 HydrophobicContact CH2-CG 3.56Å; W45-P76 HydrophobicContact CZ3-CG 3.37Å; W45-F102 HydrophobicContact CH2-CE2 4.24Å; W45-F102 AromaticContact CH2-CZ 3.84Å; W45-F102 HydrophobicContact CH2-CZ 3.84Å; W45-F102 AromaticContact CZ2-CZ 4Å; W45-F102 HydrophobicContact CZ2-CZ 4Å; W45-H185 CarbonylContact O-C 3.54Å; W45-H185 VanDerWaalsContact O-CA 3.3Å; W45-H185 WeakPolarHBondContact O-CA 3.46Å; W45-H185 WeakPolarHBondContact O-CB 3.37Å; W45-H186 PolarHBondContact O-N 3.39Å
46Y96.2Very high93.7Very high1 Ų155 Ų550%0.00426%0.256CS..BIsolated β-bridgetrans-55.9146165.9-72-53.5000110.5T50 S51 L54 S77 V78 D134 C161 P183 Q184 H185 H186Y46-T50 HydrophobicContact CD1-CG2 3.32Å; Y46-T50 HydrophobicContact CD2-CG2 4.41Å; Y46-T50 HydrophobicContact CE1-CG2 4.02Å; Y46-T50 HydrophobicContact CG-CG2 3.58Å; Y46-S51 VanDerWaalsContact CB-OG 3.26Å; Y46-S51 WeakPolarHBondContact CB-OG 3.46Å; Y46-L54 HydrophobicContact CD2-CD1 3.92Å; Y46-L54 HydrophobicContact CE2-CD1 3.89Å; Y46-L54 HydrophobicContact CG-CD1 4.41Å; Y46-S77 WeakPolarHBondContact CD2-OG 3.49Å; Y46-V78 HydrophobicContact CD2-CG2 4.04Å; Y46-V78 HydrophobicContact CE2-CG2 4.29Å; Y46-D134 VanDerWaalsContact CE2-OD2 3.29Å; Y46-D134 WeakPolarHBondContact CE2-OD2 3.19Å; Y46-D134 PolarHBondContact OH-OD1 3.25Å; Y46-D134 PolarHBondContact OH-OD2 3.2Å; Y46-C161 WeakPolarHBondContact OH-CB 3.49Å; Y46-P183 HydrophobicContact CD1-CB 4.38Å; Y46-P183 HydrophobicContact CE1-CB 3.92Å; Y46-Q184 WeakPolarHBondContact CA-O 3.2Å; Y46-Q184 WeakPolarHBondContact CD1-O 3.41Å; Y46-H185 AromaticContact CD1-CD2 3.85Å; Y46-H185 AromaticContact CD1-NE2 3.72Å; Y46-H185 AromaticContact CE1-CD2 3.95Å; Y46-H185 AromaticContact CE1-CE1 3.6Å; Y46-H185 AromaticContact CE1-NE2 3.32Å; Y46-H185 VanDerWaalsContact CE1-NE2 3.32Å; Y46-H185 WeakPolarHBondContact CE1-NE2 3.49Å; Y46-H185 AromaticContact CZ-NE2 3.99Å; Y46-H186 PolarHBondContact O-CD2 3.02Å; Y46-H186 PolarHBondContact O-NE2 3.31Å; Y46-H186 VanDerWaalsContact O-NE2 3.17Å
47N95.7Very high94.1Very high28 Ų2847.9 Ų47.915%0.1522%0.222CC..PPolyproline II helixtrans-66.4170.3168.974.44.4000110.7Q49 T50 S51 Q184N47-Q49 PolarHBondContact O-N 2.91Å; N47-T50 PolarHBondContact O-N 3.15Å; N47-T50 WeakPolarHBondContact OD1-CB 3.41Å; N47-T50 PolarHBondContact OD1-N 3.4Å; N47-T50 PolarHBondContact OD1-OG1 2.88Å; N47-S51 PolarHBondContact O-N 3.28Å; N47-S51 PolarHBondContact O-OG 2.99Å; N47-Q184 PolarHBondContact N-O 3.27Å; N47-Q184 WeakPolarHBondContact ND2-CB 3.39Å; N47-Q184 PolarHBondContact ND2-OE1 3.02Å; N47-Q184 VanDerWaalsContact ND2-OE1 3.15Å
48D96Very high94.5Very high91 Ų9146.5 Ų46.549%0.48722%0.216SC..Hα-helixtrans-59.3-49.6-174.1-162.957.6000112.5T50 S51 E52 K81D48-T50 VanDerWaalsContact C-N 3.31Å; D48-T50 PolarHBondContact O-N 3Å; D48-S51 PolarHBondContact O-N 3.35Å; D48-E52 WeakPolarHBondContact O-CB 3.41Å; D48-E52 PolarHBondContact O-N 3.34Å; D48-K81 WeakPolarHBondContact OD1-CE 3.42Å; D48-K81 IonicContact OD1-NZ 3.15Å; D48-K81 PolarHBondContact OD1-NZ 2.96Å; D48-K81 IonicContact OD2-NZ 2.9Å
49Q96.1Very high94.8Very high92 Ų9244.4 Ų44.443%0.4321%0.205SC..Hα-helixtrans-58-41.6177.7-173.2-174.58.500112.3N47 E52 R53N47-Q49 PolarHBondContact O-N 2.91Å; Q49-E52 PolarHBondContact O-N 2.98Å; Q49-R53 WeakPolarHBondContact O-CB 3.48Å; Q49-R53 PolarHBondContact O-N 2.81Å
50T97Very high95.4Very high2 Ų237.7 Ų37.71%0.01218%0.182CC..Hα-helixtrans-68.7-46.6179.2-61.90000111.3Y46 N47 D48 E52 R53 L54 F181 P183 Q184Y46-T50 HydrophobicContact CD1-CG2 3.32Å; Y46-T50 HydrophobicContact CD2-CG2 4.41Å; Y46-T50 HydrophobicContact CE1-CG2 4.02Å; Y46-T50 HydrophobicContact CG-CG2 3.58Å; N47-T50 PolarHBondContact O-N 3.15Å; N47-T50 WeakPolarHBondContact OD1-CB 3.41Å; N47-T50 PolarHBondContact OD1-N 3.4Å; N47-T50 PolarHBondContact OD1-OG1 2.88Å; D48-T50 VanDerWaalsContact C-N 3.31Å; D48-T50 PolarHBondContact O-N 3Å; T50-E52 VanDerWaalsContact C-N 3.26Å; T50-E52 PolarHBondContact O-N 3.27Å; T50-R53 PolarHBondContact O-N 3.04Å; T50-L54 HydrophobicContact CG2-CD1 3.83Å; T50-L54 HydrophobicContact CG2-CG 4.39Å; T50-L54 WeakPolarHBondContact O-CB 3.38Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.38Å; T50-L54 PolarHBondContact O-N 3.01Å; T50-F181 HydrophobicContact CG2-CE1 3.95Å; T50-F181 HydrophobicContact CG2-CZ 4.01Å; T50-P183 HydrophobicContact CG2-CB 3.73Å; T50-Q184 WeakPolarHBondContact CB-O 3.19Å; T50-Q184 PolarHBondContact OG1-N 3.29Å; T50-Q184 PolarHBondContact OG1-O 3.17Å
51S97.8Very high95.7Very high6 Ų629.8 Ų29.84%0.04215%0.146CC..Hα-helixtrans-59-42.1176-56.90000110.6Y46 N47 D48 A55Y46-S51 VanDerWaalsContact CB-OG 3.26Å; Y46-S51 WeakPolarHBondContact CB-OG 3.46Å; N47-S51 PolarHBondContact O-N 3.28Å; N47-S51 PolarHBondContact O-OG 2.99Å; D48-S51 PolarHBondContact O-N 3.35Å; S51-A55 WeakPolarHBondContact O-CB 3.15Å; S51-A55 PolarHBondContact O-N 2.93Å
52E97.7Very high95.8Very high95 Ų9528.2 Ų28.244%0.44414%0.138SC..Hα-helixtrans-63.6-49.1179.6179.5179.2-15600111.3D48 Q49 T50 L54 A55 M56 K81 I85D48-E52 WeakPolarHBondContact O-CB 3.41Å; D48-E52 PolarHBondContact O-N 3.34Å; Q49-E52 PolarHBondContact O-N 2.98Å; T50-E52 VanDerWaalsContact C-N 3.26Å; T50-E52 PolarHBondContact O-N 3.27Å; E52-L54 VanDerWaalsContact C-N 3.35Å; E52-L54 PolarHBondContact O-N 2.7Å; E52-A55 PolarHBondContact O-N 3.3Å; E52-M56 HydrophobicContact CG-CG 4.38Å; E52-M56 WeakPolarHBondContact O-CB 3.42Å; E52-M56 VanDerWaalsContact O-CG 3.28Å; E52-M56 WeakPolarHBondContact O-CG 3.49Å; E52-M56 PolarHBondContact O-N 2.95Å; E52-K81 HydrophobicContact CB-CD 4.37Å; E52-K81 HydrophobicContact CB-CG 4.35Å; E52-I85 HydrophobicContact CB-CD1 4.43Å; E52-I85 HydrophobicContact CG-CD1 3.9Å
53R97.6Very high95.5Very high68 Ų6833.7 Ų33.726%0.25716%0.16SC..Hα-helixtrans-62.9-42-178.7-15872175.5175.36.6112.1Q49 T50 E57 F181 Y203 L204 D206Q49-R53 WeakPolarHBondContact O-CB 3.48Å; Q49-R53 PolarHBondContact O-N 2.81Å; T50-R53 PolarHBondContact O-N 3.04Å; R53-E57 PolarHBondContact O-N 3.4Å; R53-F181 HydrophobicContact CB-CE2 4Å; R53-F181 HydrophobicContact CB-CZ 4.02Å; R53-F181 HydrophobicContact CG-CD2 4.03Å; R53-F181 HydrophobicContact CG-CE2 3.93Å; R53-F181 HydrophobicContact CG-CZ 4.35Å; R53-Y203 VanDerWaalsContact CZ-O 3.24Å; R53-Y203 PolarHBondContact NE-O 2.96Å; R53-Y203 PolarHBondContact NH2-O 3.47Å; R53-L204 HydrophobicContact CG-CD2 4.12Å; R53-D206 IonicContact NH2-OD2 3.1Å; R53-D206 PolarHBondContact NH2-OD2 3.14Å; R53-D206 VanDerWaalsContact NH2-OD2 3.12Å
54L98.2Very high94.5Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-66.4-41.6176.4-67.1173.5000111.9Y46 T50 E52 E57 C58 V78 I132 L204Y46-L54 HydrophobicContact CD2-CD1 3.92Å; Y46-L54 HydrophobicContact CE2-CD1 3.89Å; Y46-L54 HydrophobicContact CG-CD1 4.41Å; T50-L54 HydrophobicContact CG2-CD1 3.83Å; T50-L54 HydrophobicContact CG2-CG 4.39Å; T50-L54 WeakPolarHBondContact O-CB 3.38Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.38Å; T50-L54 PolarHBondContact O-N 3.01Å; E52-L54 VanDerWaalsContact C-N 3.35Å; E52-L54 PolarHBondContact O-N 2.7Å; L54-E57 PolarHBondContact O-N 2.76Å; L54-C58 PolarHBondContact O-N 3.4Å; L54-C58 PolarHBondContact O-SG 2.93Å; L54-V78 HydrophobicContact CB-CG1 4.07Å; L54-V78 HydrophobicContact CB-CG2 3.97Å; L54-V78 HydrophobicContact CD1-CG2 3.79Å; L54-I132 HydrophobicContact CB-CD1 3.92Å; L54-I132 HydrophobicContact CD1-CD1 4.29Å; L54-I132 HydrophobicContact CD2-CD1 3.9Å; L54-I132 HydrophobicContact CG-CD1 4.25Å; L54-L204 HydrophobicContact CD2-CD1 4.21Å; L54-L204 HydrophobicContact CD2-CD2 3.89Å
55A98Very high93.2Very high0 Ų038.6 Ų38.60%019%0.192CC..Hα-helixtrans-63.9-45.3176.900000111.9S51 E52 E57 C58 L59 V78 K81 I82 I85S51-A55 WeakPolarHBondContact O-CB 3.15Å; S51-A55 PolarHBondContact O-N 2.93Å; E52-A55 PolarHBondContact O-N 3.3Å; A55-E57 VanDerWaalsContact C-N 3.33Å; A55-E57 PolarHBondContact O-N 3.22Å; A55-C58 PolarHBondContact O-N 3.28Å; A55-L59 WeakPolarHBondContact O-CG 3.33Å; A55-L59 PolarHBondContact O-N 3.49Å; A55-V78 HydrophobicContact CB-CG1 4.44Å; A55-K81 HydrophobicContact CB-CB 4.13Å; A55-K81 HydrophobicContact CB-CG 3.88Å; A55-I82 HydrophobicContact CB-CB 4.41Å; A55-I82 HydrophobicContact CB-CG1 3.52Å; A55-I85 HydrophobicContact CB-CD1 3.82Å
56M97.1Very high91.8Very high51 Ų5144.4 Ų44.425%0.25123%0.226SC..Hα-helixtrans-60.5-41.5176.1-74.2-64.9-78.100112E52 C58 L59 S60 I85 Y203E52-M56 HydrophobicContact CG-CG 4.38Å; E52-M56 WeakPolarHBondContact O-CB 3.42Å; E52-M56 VanDerWaalsContact O-CG 3.28Å; E52-M56 WeakPolarHBondContact O-CG 3.49Å; E52-M56 PolarHBondContact O-N 2.95Å; M56-C58 PolarHBondContact O-N 2.82Å; M56-L59 PolarHBondContact O-N 3.44Å; M56-S60 VanDerWaalsContact O-CB 3.29Å; M56-S60 WeakPolarHBondContact O-CB 3.42Å; M56-S60 PolarHBondContact O-N 2.95Å; M56-I85 HydrophobicContact CG-CD1 4.11Å; M56-I85 HydrophobicContact SD-CD1 4.3Å; M56-I85 HydrophobicContact SD-CG2 3.81Å; M56-Y203 HydrophobicContact CB-CD1 3.87Å; M56-Y203 HydrophobicContact CB-CD2 4.16Å; M56-Y203 HydrophobicContact CB-CE1 3.95Å; M56-Y203 HydrophobicContact CB-CE2 4.24Å; M56-Y203 HydrophobicContact CB-CG 3.99Å; M56-Y203 HydrophobicContact CE-CE1 3.8Å; M56-Y203 WeakPolarHBondContact CE-OH 3.38Å; M56-Y203 HydrophobicContact CG-CE1 4.5Å
57E97.3Very high90.3Very high2 Ų249.8 Ų49.81%0.00926%0.263CS..Hα-helixtrans-60.8-44.6174-175.559.2-147.700111.7R53 L54 A55 S60 A61 I159 Y199 T201 I202 Y203 L204R53-E57 PolarHBondContact O-N 3.4Å; L54-E57 PolarHBondContact O-N 2.76Å; A55-E57 VanDerWaalsContact C-N 3.33Å; A55-E57 PolarHBondContact O-N 3.22Å; E57-S60 PolarHBondContact O-N 3.21Å; E57-A61 WeakPolarHBondContact O-CB 3.2Å; E57-A61 PolarHBondContact O-N 3.06Å; E57-I159 HydrophobicContact CB-CD1 4.44Å; E57-I159 HydrophobicContact CG-CD1 3.73Å; E57-Y199 WeakPolarHBondContact CG-OH 3.35Å; E57-Y199 WeakPolarHBondContact OE1-CE2 3.46Å; E57-Y199 PolarHBondContact OE1-OH 2.87Å; E57-T201 WeakPolarHBondContact OE1-CA 3.39Å; E57-T201 WeakPolarHBondContact OE1-CB 3.2Å; E57-I202 PolarHBondContact OE2-N 3.49Å; E57-Y203 WeakPolarHBondContact OE2-CB 3.46Å; E57-Y203 PolarHBondContact OE2-N 3.27Å; E57-L204 HydrophobicContact CB-CD1 4.35Å; E57-L204 HydrophobicContact CB-CD2 4.31Å; E57-L204 HydrophobicContact CB-CG 4.07Å; E57-L204 HydrophobicContact CG-CD1 3.88Å; E57-L204 HydrophobicContact CG-CG 3.84Å
58C97.3Very high89.6Confident0 Ų048.7 Ų48.70%026%0.259CS..Hα-helixtrans-64.2-42.6177.9-65.30000112.4L54 A55 M56 A61 I62 I70 I82 V130L54-C58 PolarHBondContact O-N 3.4Å; L54-C58 PolarHBondContact O-SG 2.93Å; A55-C58 PolarHBondContact O-N 3.28Å; M56-C58 PolarHBondContact O-N 2.82Å; C58-A61 PolarHBondContact O-N 2.87Å; C58-I62 PolarHBondContact O-N 3.06Å; C58-I70 HydrophobicContact CB-CD1 4.17Å; C58-I70 HydrophobicContact CB-CG2 4.01Å; C58-I82 HydrophobicContact CB-CD1 3.98Å; C58-V130 HydrophobicContact CB-CG1 4.44Å
59L96Very high89.6Confident2 Ų246.1 Ų46.11%0.0125%0.245CC..Hα-helixtrans-64.8-40.3177.7-75.1170000112.2A55 M56 I62 E63 I70 I82 I85 D86 R89A55-L59 WeakPolarHBondContact O-CG 3.33Å; A55-L59 PolarHBondContact O-N 3.49Å; M56-L59 PolarHBondContact O-N 3.44Å; L59-I62 WeakPolarHBondContact O-CG1 3.35Å; L59-I62 PolarHBondContact O-N 3.42Å; L59-E63 PolarHBondContact O-N 3.31Å; L59-I70 HydrophobicContact CD2-CD1 4.32Å; L59-I82 HydrophobicContact CD2-CG2 4.06Å; L59-I82 HydrophobicContact CG-CG2 4.38Å; L59-I85 HydrophobicContact CD1-CB 4.26Å; L59-I85 HydrophobicContact CD1-CG2 3.83Å; L59-D86 HydrophobicContact CD1-CB 3.94Å; L59-D86 HydrophobicContact CD2-CB 4.16Å; L59-R89 HydrophobicContact CD2-CB 3.61Å; L59-R89 PolarHBondContact O-NH1 2.93Å
60S94.5Very high89.7Confident18 Ų1841.8 Ų41.813%0.12622%0.224CC..Hα-helixtrans-64.9-42.1174.1171.20000111.9M56 E57 I62 E63 I202M56-S60 VanDerWaalsContact O-CB 3.29Å; M56-S60 WeakPolarHBondContact O-CB 3.42Å; M56-S60 PolarHBondContact O-N 2.95Å; E57-S60 PolarHBondContact O-N 3.21Å; S60-I62 PolarHBondContact O-N 3.37Å; S60-I62 VanDerWaalsContact O-N 3.14Å; S60-E63 WeakPolarHBondContact O-CB 3.38Å; S60-E63 PolarHBondContact O-N 3.12Å; S60-I202 WeakPolarHBondContact OG-CD1 3.48Å
61A93.9Very high89.7Confident4 Ų441.7 Ų41.73%0.03322%0.224CC..Hα-helixtrans-59.2-30.2179.200000112.7E57 C58 V130 R157 Y199E57-A61 WeakPolarHBondContact O-CB 3.2Å; E57-A61 PolarHBondContact O-N 3.06Å; C58-A61 PolarHBondContact O-N 2.87Å; A61-V130 HydrophobicContact CB-CB 3.92Å; A61-V130 HydrophobicContact CB-CG1 4.03Å; A61-V130 HydrophobicContact CB-CG2 4.1Å; A61-R157 VanDerWaalsContact O-CZ 3.29Å; A61-R157 PolarHBondContact O-NH1 3.02Å; A61-Y199 HydrophobicContact CB-CE2 4.48Å
62I92.9Very high89.8Confident7 Ų741.4 Ų41.44%0.03622%0.222CC..Hα-helixtrans-91.7-10.3176.767161000114.4C58 L59 S60 S64 K65 I70 R89 V130C58-I62 PolarHBondContact O-N 3.06Å; L59-I62 WeakPolarHBondContact O-CG1 3.35Å; L59-I62 PolarHBondContact O-N 3.42Å; S60-I62 PolarHBondContact O-N 3.37Å; S60-I62 VanDerWaalsContact O-N 3.14Å; I62-S64 PolarHBondContact O-N 2.68Å; I62-K65 PolarHBondContact O-N 3.05Å; I62-K65 VanDerWaalsContact O-O 3.1Å; I62-I70 HydrophobicContact CD1-CD1 3.73Å; I62-I70 HydrophobicContact CD1-CG1 4.02Å; I62-I70 HydrophobicContact CG1-CD1 4.18Å; I62-I70 HydrophobicContact CG1-CG1 4.39Å; I62-I70 HydrophobicContact CG2-CD1 4.29Å; I62-I70 HydrophobicContact CG2-CG1 3.61Å; I62-R89 HydrophobicContact CD1-CB 4.45Å; I62-V130 HydrophobicContact CG2-CG1 3.85Å
63E85.7Confident89.8Confident142 Ų14236.9 Ų36.966%0.66420%0.2SC*.Hα-helixtrans-61.4-31.3-174.1-171.1167.5-155.100113.2L59 S60 K65L59-E63 PolarHBondContact O-N 3.31Å; S60-E63 WeakPolarHBondContact O-CB 3.38Å; S60-E63 PolarHBondContact O-N 3.12Å; E63-K65 PolarHBondContact O-N 3Å
64S71.1Confident89.8Confident85 Ų8534.4 Ų34.459%0.59419%0.193SC*.THydrogen-bonded Turntrans-73.60.2175.954.20000114.7I62 R157I62-S64 PolarHBondContact O-N 2.68Å; S64-R157 PolarHBondContact OG-NH2 3.46Å
65K67.6Low89.8Confident71 Ų7134.5 Ų34.531%0.30919%0.194SC..  trans-135.4126.2-169.6-65.6-168.2166.8-155.40112.5I62 E63 C67 S129 E156I62-K65 PolarHBondContact O-N 3.05Å; I62-K65 VanDerWaalsContact O-O 3.1Å; E63-K65 PolarHBondContact O-N 3Å; K65-C67 PolarHBondContact O-N 2.84Å; K65-S129 WeakPolarHBondContact CD-OG 3.3Å; K65-E156 WeakPolarHBondContact CE-OE2 3.48Å; K65-E156 IonicContact NZ-OE1 2.63Å; K65-E156 PolarHBondContact NZ-OE1 3Å; K65-E156 IonicContact NZ-OE2 2.61Å; K65-E156 PolarHBondContact NZ-OE2 3.19Å
66D64.2Low89.7Confident167 Ų16734.6 Ų34.689%0.89320%0.195SC*.THydrogen-bonded Turntrans-67.1-16.7179.7-69.2-35.7000114.1
67C65.6Low89.6Confident114 Ų11433.1 Ų33.177%0.7719%0.189SC*.THydrogen-bonded Turntrans-148.728.1-167.549.70000116K65K65-C67 PolarHBondContact O-N 2.84Å
68G81.2Confident89.6Confident6 Ų633 Ų336%0.06219%0.189CC..PPolyproline II helixtrans-89.2131.8-179.800000114.9S129G68-S129 WeakPolarHBondContact CA-OG 3.29Å
69L95.3Very high89.6Confident37 Ų3733.1 Ų33.119%0.19419%0.189CC..EExtended strand (participates in β ladder)trans-81.3151.7170.1-58.1179.1000112.1Y92 C128 S129 V130L69-Y92 WeakPolarHBondContact CA-O 3.11Å; L69-Y92 HydrophobicContact CD2-CD1 4.38Å; L69-Y92 WeakPolarHBondContact CD2-O 3.2Å; L69-C128 CarbonylContact O-C 3.53Å; L69-C128 WeakPolarHBondContact O-CA 3.49Å; L69-S129 PolarHBondContact O-N 2.97Å; L69-V130 PolarHBondContact O-N 3.33Å
70I97.7Very high89.5Confident0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-100.6120166.4-58.2169.6000107.7C58 L59 I62 I82 Y92 A93 W94 V130C58-I70 HydrophobicContact CB-CD1 4.17Å; C58-I70 HydrophobicContact CB-CG2 4.01Å; L59-I70 HydrophobicContact CD2-CD1 4.32Å; I62-I70 HydrophobicContact CD1-CD1 3.73Å; I62-I70 HydrophobicContact CD1-CG1 4.02Å; I62-I70 HydrophobicContact CG1-CD1 4.18Å; I62-I70 HydrophobicContact CG1-CG1 4.39Å; I62-I70 HydrophobicContact CG2-CD1 4.29Å; I62-I70 HydrophobicContact CG2-CG1 3.61Å; I70-I82 HydrophobicContact CD1-CD1 4.34Å; I70-I82 HydrophobicContact CD1-CG2 4.41Å; I70-I82 HydrophobicContact CG2-CD1 3.98Å; I70-Y92 PolarHBondContact N-O 3.04Å; I70-A93 HydrophobicContact CB-CB 4.12Å; I70-A93 CarbonylContact O-C 3.55Å; I70-A93 WeakPolarHBondContact O-CA 3.22Å; I70-W94 PolarHBondContact O-N 2.81Å; I70-V130 HydrophobicContact CB-CG1 4.26Å; I70-V130 HydrophobicContact CG1-CG1 3.87Å; I70-V130 HydrophobicContact CG2-CG1 4.09Å
71G98Very high89.7Confident0 Ų035.3 Ų35.30%020%0.199CC..EExtended strand (participates in β ladder)trans-93.7111.5171.900000111.1V130 V131 I132G71-V130 PolarHBondContact N-O 3.39Å; G71-V131 CarbonylContact O-C 3.49Å; G71-V131 VanDerWaalsContact O-CA 3.32Å; G71-V131 WeakPolarHBondContact O-CA 3.31Å; G71-I132 PolarHBondContact O-N 3.11Å
72C98.5Very high89.8Confident0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-95.9102.4173-630000109C75 Y79 W94 L95 F96C72-C75 VanDerWaalsContact C-SG 3.6Å; C72-Y79 HydrophobicContact CB-CD2 4.44Å; C72-W94 PolarHBondContact N-O 2.94Å; C72-L95 HydrophobicContact CB-CD1 4.24Å; C72-F96 PolarHBondContact O-N 2.76Å
73L98.3Very high89.9Confident0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-101.5111.7-174.9-172.162000110.6C75 F96 Y112 V131 I132 A133 D134 V146 T149L73-C75 PolarHBondContact N-SG 2.89Å; L73-C75 VanDerWaalsContact N-SG 3.41Å; L73-C75 PolarHBondContact O-N 3.05Å; L73-F96 HydrophobicContact CD1-CB 3.56Å; L73-F96 HydrophobicContact CD1-CG 4.36Å; L73-Y112 HydrophobicContact CD1-CD1 3.63Å; L73-Y112 HydrophobicContact CD1-CD2 4.38Å; L73-Y112 HydrophobicContact CD1-CE1 3.43Å; L73-Y112 VanDerWaalsContact CD1-CE1 3.43Å; L73-Y112 HydrophobicContact CD1-CE2 4.2Å; L73-Y112 HydrophobicContact CD1-CG 4.1Å; L73-Y112 HydrophobicContact CG-CE1 4.27Å; L73-V131 HydrophobicContact CB-CG1 4.45Å; L73-I132 PolarHBondContact N-O 3.42Å; L73-A133 HydrophobicContact CB-CB 4.02Å; L73-A133 HydrophobicContact CD2-CB 4.14Å; L73-A133 HydrophobicContact CG-CB 4.4Å; L73-A133 VanDerWaalsContact O-CA 3.31Å; L73-A133 WeakPolarHBondContact O-CA 3.36Å; L73-D134 PolarHBondContact O-N 3.31Å; L73-V146 HydrophobicContact CD2-CG1 3.5Å; L73-V146 HydrophobicContact CG-CG1 4.07Å; L73-T149 HydrophobicContact CD1-CG2 3.88Å; L73-T149 HydrophobicContact CD2-CG2 3.93Å
74C97.8Very high90.4Very high16 Ų1636.8 Ų36.811%0.10821%0.206CC..SBendtrans6119.6-178.8-49.60000115.4P76 F96 E97 Y112 D134C74-P76 VanDerWaalsContact C-CD 3.49Å; C74-P76 WeakPolarHBondContact O-CD 3.45Å; C74-F96 PolarHBondContact N-O 3.15Å; C74-E97 WeakPolarHBondContact CA-OE2 3.49Å; C74-Y112 VanDerWaalsContact SG-CE1 3.6Å; C74-D134 WeakPolarHBondContact CB-O 3.4Å
75C97.4Very high91.6Very high2 Ų235.4 Ų35.41%0.01419%0.191CC..  trans-129.162.2-171.756.90000112.6C72 L73 S77 V78 Y79 I132 D134C72-C75 VanDerWaalsContact C-SG 3.6Å; L73-C75 PolarHBondContact N-SG 2.89Å; L73-C75 VanDerWaalsContact N-SG 3.41Å; L73-C75 PolarHBondContact O-N 3.05Å; C75-S77 VanDerWaalsContact C-N 3.28Å; C75-S77 PolarHBondContact O-N 3.21Å; C75-V78 HydrophobicContact CB-CB 4.47Å; C75-V78 HydrophobicContact CB-CG2 4.27Å; C75-V78 PolarHBondContact O-N 3.18Å; C75-V78 VanDerWaalsContact O-N 3.11Å; C75-Y79 PolarHBondContact O-N 3.09Å; C75-I132 PolarHBondContact SG-O 3.35Å; C75-D134 HydrophobicContact CB-CB 3.8Å
76P95.9Very high92.9Very high3 Ų333.6 Ų33.62%0.01919%0.185CC..Hα-helixtrans-59.6-32.3-173.724-34.8000114.1W45 C74 V78 Y79 D80 L95 F102W45-P76 HydrophobicContact CE3-CG 4.22Å; W45-P76 HydrophobicContact CH2-CG 3.56Å; W45-P76 HydrophobicContact CZ3-CG 3.37Å; C74-P76 VanDerWaalsContact C-CD 3.49Å; C74-P76 WeakPolarHBondContact O-CD 3.45Å; P76-V78 VanDerWaalsContact C-N 3.3Å; P76-V78 PolarHBondContact O-N 3.09Å; P76-Y79 WeakPolarHBondContact O-CB 3.4Å; P76-Y79 PolarHBondContact O-N 3.47Å; P76-D80 PolarHBondContact O-N 2.68Å; P76-L95 HydrophobicContact CB-CD1 4.21Å; P76-L95 HydrophobicContact CB-CD2 4.07Å; P76-F102 HydrophobicContact CB-CD1 3.92Å; P76-F102 HydrophobicContact CB-CD2 4.45Å; P76-F102 HydrophobicContact CB-CE1 3.37Å; P76-F102 HydrophobicContact CB-CE2 3.97Å; P76-F102 HydrophobicContact CB-CG 4.43Å; P76-F102 HydrophobicContact CB-CZ 3.4Å; P76-F102 VanDerWaalsContact CB-CZ 3.4Å; P76-F102 HydrophobicContact CG-CE1 4.07Å; P76-F102 HydrophobicContact CG-CE2 3.94Å; P76-F102 HydrophobicContact CG-CZ 3.54Å
77S95.3Very high94.3Very high19 Ų1929.5 Ų29.513%0.13317%0.167CC..Hα-helixtrans-64.8-34178.263.80000112.7Y46 C75 K81Y46-S77 WeakPolarHBondContact CD2-OG 3.49Å; C75-S77 VanDerWaalsContact C-N 3.28Å; C75-S77 PolarHBondContact O-N 3.21Å; S77-K81 VanDerWaalsContact O-CB 3.31Å; S77-K81 WeakPolarHBondContact O-CB 3.4Å; S77-K81 PolarHBondContact O-N 3.2Å; S77-K81 VanDerWaalsContact O-N 3.09Å
78V97.7Very high95.6Very high0 Ų032.4 Ų32.40%017%0.167CC..Hα-helixtrans-71.1-42.2174-176.80000110.3Y46 L54 A55 C75 P76 K81 I82 I132Y46-V78 HydrophobicContact CD2-CG2 4.04Å; Y46-V78 HydrophobicContact CE2-CG2 4.29Å; L54-V78 HydrophobicContact CB-CG1 4.07Å; L54-V78 HydrophobicContact CB-CG2 3.97Å; L54-V78 HydrophobicContact CD1-CG2 3.79Å; A55-V78 HydrophobicContact CB-CG1 4.44Å; C75-V78 HydrophobicContact CB-CB 4.47Å; C75-V78 HydrophobicContact CB-CG2 4.27Å; C75-V78 PolarHBondContact O-N 3.18Å; C75-V78 VanDerWaalsContact O-N 3.11Å; P76-V78 VanDerWaalsContact C-N 3.3Å; P76-V78 PolarHBondContact O-N 3.09Å; V78-K81 PolarHBondContact O-N 3.28Å; V78-I82 HydrophobicContact CG1-CD1 4.02Å; V78-I82 HydrophobicContact CG1-CG1 4.37Å; V78-I82 VanDerWaalsContact O-CG1 3.3Å; V78-I82 WeakPolarHBondContact O-CG1 3.32Å; V78-I82 PolarHBondContact O-N 3.41Å; V78-I132 HydrophobicContact CG1-CD1 4.24Å; V78-I132 HydrophobicContact CG1-CG2 4.34Å; V78-I132 HydrophobicContact CG2-CD1 4.34Å
79Y97.1Very high96.1Very high2 Ų235.5 Ų35.51%0.00818%0.177CC..Hα-helixtrans-57.8-51.4176.2174.3-90.4000111.5C72 C75 P76 K81 I82 M83 A93 L95 R107 Q108C72-Y79 HydrophobicContact CB-CD2 4.44Å; C75-Y79 PolarHBondContact O-N 3.09Å; P76-Y79 WeakPolarHBondContact O-CB 3.4Å; P76-Y79 PolarHBondContact O-N 3.47Å; Y79-K81 VanDerWaalsContact C-N 3.27Å; Y79-K81 PolarHBondContact O-N 2.87Å; Y79-I82 PolarHBondContact O-N 2.96Å; Y79-M83 HydrophobicContact CD1-CG 4.38Å; Y79-M83 HydrophobicContact CE1-CG 3.84Å; Y79-M83 HydrophobicContact CE2-CG 4.41Å; Y79-M83 WeakPolarHBondContact O-CG 3.4Å; Y79-M83 PolarHBondContact O-N 2.79Å; Y79-M83 VanDerWaalsContact O-N 3.09Å; Y79-A93 HydrophobicContact CD2-CB 3.94Å; Y79-A93 HydrophobicContact CE2-CB 3.86Å; Y79-L95 HydrophobicContact CD1-CB 4.31Å; Y79-L95 HydrophobicContact CD1-CD2 4.26Å; Y79-L95 HydrophobicContact CD2-CB 3.78Å; Y79-L95 HydrophobicContact CE2-CB 4.17Å; Y79-L95 HydrophobicContact CG-CB 3.86Å; Y79-L95 HydrophobicContact CG-CD2 4.37Å; Y79-L95 HydrophobicContact CG-CG 4.49Å; Y79-R107 HydrophobicContact CE1-CB 3.98Å; Y79-R107 HydrophobicContact CE1-CG 3.76Å; Y79-R107 WeakPolarHBondContact OH-CA 3.26Å; Y79-Q108 HydrophobicContact CE2-CB 4.42Å; Y79-Q108 PolarHBondContact OH-N 3.5Å
80D94.8Very high96Very high54 Ų5433.7 Ų33.729%0.28917%0.167SC..Hα-helixtrans-61.3-39.1-180-76.8-11.2000110.4P76 M83 E84 R107P76-D80 PolarHBondContact O-N 2.68Å; D80-M83 PolarHBondContact O-N 2.67Å; D80-E84 WeakPolarHBondContact O-CB 3.35Å; D80-E84 PolarHBondContact O-N 3.39Å; D80-R107 IonicContact OD1-CZ 3Å; D80-R107 IonicContact OD1-NE 3.19Å; D80-R107 PolarHBondContact OD1-NE 3.49Å; D80-R107 IonicContact OD1-NH2 3.46Å; D80-R107 PolarHBondContact OD1-NH2 2.95Å; D80-R107 IonicContact OD2-CZ 3.22Å; D80-R107 IonicContact OD2-NE 3Å; D80-R107 IonicContact OD2-NH2 3.9Å; D80-R107 PolarHBondContact OD2-NH2 3.02Å
81K97.1Very high95.8Very high13 Ų1337 Ų376%0.05719%0.188CC..Hα-helixtrans-70.1-33.9177-172.260.167-174.60113.9D48 E52 A55 S77 V78 Y79 M83 E84 I85D48-K81 WeakPolarHBondContact OD1-CE 3.42Å; D48-K81 IonicContact OD1-NZ 3.15Å; D48-K81 PolarHBondContact OD1-NZ 2.96Å; D48-K81 IonicContact OD2-NZ 2.9Å; E52-K81 HydrophobicContact CB-CD 4.37Å; E52-K81 HydrophobicContact CB-CG 4.35Å; A55-K81 HydrophobicContact CB-CB 4.13Å; A55-K81 HydrophobicContact CB-CG 3.88Å; S77-K81 VanDerWaalsContact O-CB 3.31Å; S77-K81 WeakPolarHBondContact O-CB 3.4Å; S77-K81 PolarHBondContact O-N 3.2Å; S77-K81 VanDerWaalsContact O-N 3.09Å; V78-K81 PolarHBondContact O-N 3.28Å; Y79-K81 VanDerWaalsContact C-N 3.27Å; Y79-K81 PolarHBondContact O-N 2.87Å; K81-M83 VanDerWaalsContact C-N 3.34Å; K81-E84 HydrophobicContact CD-CB 4.47Å; K81-E84 WeakPolarHBondContact CE-OE2 3.26Å; K81-E84 IonicContact NZ-OE1 2.77Å; K81-E84 PolarHBondContact NZ-OE1 3.44Å; K81-E84 IonicContact NZ-OE2 3.14Å; K81-E84 PolarHBondContact NZ-OE2 2.9Å; K81-E84 PolarHBondContact O-N 3.45Å; K81-I85 HydrophobicContact CD-CD1 3.96Å; K81-I85 HydrophobicContact CD-CG1 4Å; K81-I85 HydrophobicContact CG-CD1 3.78Å; K81-I85 HydrophobicContact CG-CG1 4.26Å; K81-I85 VanDerWaalsContact O-CG1 3.3Å; K81-I85 WeakPolarHBondContact O-CG1 3.39Å; K81-I85 PolarHBondContact O-N 2.96Å
82I97.2Very high95.6Very high0 Ų041.9 Ų41.90%021%0.207CC..Hα-helixtrans-60.3-47.1171-72.2165.7000110A55 C58 L59 I70 V78 Y79 E84 I85 D86 A93A55-I82 HydrophobicContact CB-CB 4.41Å; A55-I82 HydrophobicContact CB-CG1 3.52Å; C58-I82 HydrophobicContact CB-CD1 3.98Å; L59-I82 HydrophobicContact CD2-CG2 4.06Å; L59-I82 HydrophobicContact CG-CG2 4.38Å; I70-I82 HydrophobicContact CD1-CD1 4.34Å; I70-I82 HydrophobicContact CD1-CG2 4.41Å; I70-I82 HydrophobicContact CG2-CD1 3.98Å; V78-I82 HydrophobicContact CG1-CD1 4.02Å; V78-I82 HydrophobicContact CG1-CG1 4.37Å; V78-I82 VanDerWaalsContact O-CG1 3.3Å; V78-I82 WeakPolarHBondContact O-CG1 3.32Å; V78-I82 PolarHBondContact O-N 3.41Å; Y79-I82 PolarHBondContact O-N 2.96Å; I82-E84 VanDerWaalsContact C-N 3.27Å; I82-E84 PolarHBondContact O-N 3.17Å; I82-I85 PolarHBondContact O-N 3.47Å; I82-D86 PolarHBondContact O-N 2.9Å; I82-D86 VanDerWaalsContact O-N 3.09Å; I82-A93 HydrophobicContact CG2-CB 4.09Å
83M94.8Very high95.5Very high55 Ų5541.9 Ų41.927%0.27121%0.207SC..Hα-helixtrans-63.3-34.4178.7-69.1-63.1-65.600112.2Y79 D80 K81 P87 G90Y79-M83 HydrophobicContact CD1-CG 4.38Å; Y79-M83 HydrophobicContact CE1-CG 3.84Å; Y79-M83 HydrophobicContact CE2-CG 4.41Å; Y79-M83 WeakPolarHBondContact O-CG 3.4Å; Y79-M83 PolarHBondContact O-N 2.79Å; Y79-M83 VanDerWaalsContact O-N 3.09Å; D80-M83 PolarHBondContact O-N 2.67Å; K81-M83 VanDerWaalsContact C-N 3.34Å; M83-P87 WeakPolarHBondContact O-CA 3.44Å; M83-P87 WeakPolarHBondContact O-CG 3.46Å; M83-G90 VanDerWaalsContact SD-CA 3.56Å
84E95.7Very high95.5Very high128 Ų12844.4 Ų44.460%0.59822%0.216SC*.Hα-helixtrans-70.3-49176.6-173-169.5134.600112.6D80 K81 I82D80-E84 WeakPolarHBondContact O-CB 3.35Å; D80-E84 PolarHBondContact O-N 3.39Å; K81-E84 HydrophobicContact CD-CB 4.47Å; K81-E84 WeakPolarHBondContact CE-OE2 3.26Å; K81-E84 IonicContact NZ-OE1 2.77Å; K81-E84 PolarHBondContact NZ-OE1 3.44Å; K81-E84 IonicContact NZ-OE2 3.14Å; K81-E84 PolarHBondContact NZ-OE2 2.9Å; K81-E84 PolarHBondContact O-N 3.45Å; I82-E84 VanDerWaalsContact C-N 3.27Å; I82-E84 PolarHBondContact O-N 3.17Å
85I96.7Very high95.5Very high57 Ų5743.6 Ų43.629%0.29221%0.211SC..Hα-helixtrans-68.8-46.7-175.1-69.4169.9000111.7E52 A55 M56 L59 K81 I82E52-I85 HydrophobicContact CB-CD1 4.43Å; E52-I85 HydrophobicContact CG-CD1 3.9Å; A55-I85 HydrophobicContact CB-CD1 3.82Å; M56-I85 HydrophobicContact CG-CD1 4.11Å; M56-I85 HydrophobicContact SD-CD1 4.3Å; M56-I85 HydrophobicContact SD-CG2 3.81Å; L59-I85 HydrophobicContact CD1-CB 4.26Å; L59-I85 HydrophobicContact CD1-CG2 3.83Å; K81-I85 HydrophobicContact CD-CD1 3.96Å; K81-I85 HydrophobicContact CD-CG1 4Å; K81-I85 HydrophobicContact CG-CD1 3.78Å; K81-I85 HydrophobicContact CG-CG1 4.26Å; K81-I85 VanDerWaalsContact O-CG1 3.3Å; K81-I85 WeakPolarHBondContact O-CG1 3.39Å; K81-I85 PolarHBondContact O-N 2.96Å; I82-I85 PolarHBondContact O-N 3.47Å
86D94.9Very high95.5Very high33 Ų3343.5 Ų43.518%0.17621%0.21CC..  trans-14084.1-177.9-166.8-37.1000110.2L59 I82 K88 R89 G90L59-D86 HydrophobicContact CD1-CB 3.94Å; L59-D86 HydrophobicContact CD2-CB 4.16Å; I82-D86 PolarHBondContact O-N 2.9Å; I82-D86 VanDerWaalsContact O-N 3.09Å; D86-K88 PolarHBondContact O-N 2.82Å; D86-K88 VanDerWaalsContact O-N 3.1Å; D86-K88 PolarHBondContact OD1-N 2.87Å; D86-R89 HydrophobicContact CB-CB 4.29Å; D86-R89 PolarHBondContact O-N 2.87Å; D86-R89 PolarHBondContact OD1-N 3.35Å; D86-R89 IonicContact OD2-CZ 2.83Å; D86-R89 IonicContact OD2-NE 3.42Å; D86-R89 PolarHBondContact OD2-NE 2.8Å; D86-R89 IonicContact OD2-NH2 3.54Å; D86-R89 PolarHBondContact OD2-NH2 3Å; D86-G90 WeakPolarHBondContact O-CA 3.28Å; D86-G90 PolarHBondContact O-N 3.42Å
87P93.6Very high95.6Very high80 Ų8044 Ų4452%0.51921%0.213SC..Hα-helixtrans-56.6-30.3-179-24.830.7000113.5M83 T91M83-P87 WeakPolarHBondContact O-CA 3.44Å; M83-P87 WeakPolarHBondContact O-CG 3.46Å; P87-T91 WeakPolarHBondContact O-CG2 3.37Å
88K92.4Very high95.6Very high175 Ų17546.6 Ų46.676%0.76122%0.221SC*.Hα-helixtrans-70.6-51.6-179.4-176-176.6177.1-173.70110.5D86 G90 T91D86-K88 PolarHBondContact O-N 2.82Å; D86-K88 VanDerWaalsContact O-N 3.1Å; D86-K88 PolarHBondContact OD1-N 2.87Å; K88-G90 VanDerWaalsContact C-N 3.33Å; K88-T91 PolarHBondContact O-OG1 3.43Å
89R92.4Very high95.5Very high71 Ų7147.1 Ų47.127%0.26822%0.224SC..Hα-helixtrans-73.9-25.3176.1-74.7-171-71.4179.6-3.6112.5L59 I62 D86 T91 Y92L59-R89 HydrophobicContact CD2-CB 3.61Å; L59-R89 PolarHBondContact O-NH1 2.93Å; I62-R89 HydrophobicContact CD1-CB 4.45Å; D86-R89 HydrophobicContact CB-CB 4.29Å; D86-R89 PolarHBondContact O-N 2.87Å; D86-R89 PolarHBondContact OD1-N 3.35Å; D86-R89 IonicContact OD2-CZ 2.83Å; D86-R89 IonicContact OD2-NE 3.42Å; D86-R89 PolarHBondContact OD2-NE 2.8Å; D86-R89 IonicContact OD2-NH2 3.54Å; D86-R89 PolarHBondContact OD2-NH2 3Å; R89-T91 PolarHBondContact O-N 2.85Å; R89-Y92 WeakPolarHBondContact O-CB 3.35Å; R89-Y92 VanDerWaalsContact O-CD2 3.28Å; R89-Y92 WeakPolarHBondContact O-CD2 3.24Å; R89-Y92 PolarHBondContact O-N 2.96Å
90G93.1Very high95.4Very high0 Ų054.5 Ų54.50%025%0.252CS..Hα-helixtrans-60-24.4174.600000113.2M83 D86 K88 Y92 A93M83-G90 VanDerWaalsContact SD-CA 3.56Å; D86-G90 WeakPolarHBondContact O-CA 3.28Å; D86-G90 PolarHBondContact O-N 3.42Å; K88-G90 VanDerWaalsContact C-N 3.33Å; G90-Y92 PolarHBondContact O-N 3.26Å; G90-A93 WeakPolarHBondContact O-CB 3.46Å; G90-A93 PolarHBondContact O-N 3.43Å
91T93Very high95.2Very high70 Ų7056.8 Ų56.843%0.42926%0.256SS..THydrogen-bonded Turntrans-59.2-18.1171.164.90000114.1P87 K88 R89 Q108P87-T91 WeakPolarHBondContact O-CG2 3.37Å; K88-T91 PolarHBondContact O-OG1 3.43Å; R89-T91 PolarHBondContact O-N 2.85Å; T91-Q108 PolarHBondContact O-NE2 3.16Å
92Y94.2Very high95Very high101 Ų10156.3 Ų56.340%0.39626%0.255SS..THydrogen-bonded Turntrans-90.1-6.6173.9-57.1-67000113.9L69 I70 R89 G90L69-Y92 WeakPolarHBondContact CA-O 3.11Å; L69-Y92 HydrophobicContact CD2-CD1 4.38Å; L69-Y92 WeakPolarHBondContact CD2-O 3.2Å; I70-Y92 PolarHBondContact N-O 3.04Å; R89-Y92 WeakPolarHBondContact O-CB 3.35Å; R89-Y92 VanDerWaalsContact O-CD2 3.28Å; R89-Y92 WeakPolarHBondContact O-CD2 3.24Å; R89-Y92 PolarHBondContact O-N 2.96Å; G90-Y92 PolarHBondContact O-N 3.26Å
93A96.2Very high94.7Very high0 Ų059 Ų590%028%0.277CS..EExtended strand (participates in β ladder)trans-83.6139.2176.700000111.1I70 Y79 I82 G90 Q108I70-A93 HydrophobicContact CB-CB 4.12Å; I70-A93 CarbonylContact O-C 3.55Å; I70-A93 WeakPolarHBondContact O-CA 3.22Å; Y79-A93 HydrophobicContact CD2-CB 3.94Å; Y79-A93 HydrophobicContact CE2-CB 3.86Å; I82-A93 HydrophobicContact CG2-CB 4.09Å; G90-A93 WeakPolarHBondContact O-CB 3.46Å; G90-A93 PolarHBondContact O-N 3.43Å; A93-Q108 WeakPolarHBondContact O-CB 3.42Å; A93-Q108 WeakPolarHBondContact O-CG 3.04Å
94W97.4Very high93.9Very high53 Ų5358.4 Ų58.420%0.20128%0.281CS..EExtended strand (participates in β ladder)trans-126.3126.3175-75.982.4000110.1I70 C72 F96 Q108 V110 Y124I70-W94 PolarHBondContact O-N 2.81Å; C72-W94 PolarHBondContact N-O 2.94Å; W94-F96 HydrophobicContact CB-CD2 4.46Å; W94-F96 HydrophobicContact CB-CE2 3.77Å; W94-F96 HydrophobicContact CB-CZ 4.27Å; W94-F96 WeakPolarHBondContact O-CD2 3.32Å; W94-Q108 CarbonylContact C-O 3.6Å; W94-Q108 WeakPolarHBondContact CA-O 3.38Å; W94-Q108 HydrophobicContact CD2-CB 3.93Å; W94-Q108 HydrophobicContact CE3-CB 3.94Å; W94-Q108 HydrophobicContact CG-CB 4.27Å; W94-Q108 HydrophobicContact CZ3-CB 4.41Å; W94-V110 HydrophobicContact CE3-CG2 3.65Å; W94-V110 HydrophobicContact CZ3-CG2 3.96Å; W94-Y124 AromaticContact CD2-CE1 3.87Å; W94-Y124 HydrophobicContact CD2-CE1 3.87Å; W94-Y124 HydrophobicContact CE3-CE1 4.07Å; W94-Y124 VanDerWaalsContact CE3-OH 3.3Å; W94-Y124 HydrophobicContact CG-CE1 4.27Å; W94-Y124 WeakPolarHBondContact CH2-OH 3.32Å; W94-Y124 HydrophobicContact CZ2-CE1 4.36Å; W94-Y124 HydrophobicContact CZ3-CE1 4.4Å; W94-Y124 WeakPolarHBondContact CZ3-OH 3.35Å
95L97.9Very high92.5Very high0 Ų061 Ų610%029%0.293CS..EExtended strand (participates in β ladder)trans-90.9115.8176.5179.159.7000110.2C72 P76 Y79 E97 F102 Q108 F109 V110C72-L95 HydrophobicContact CB-CD1 4.24Å; P76-L95 HydrophobicContact CB-CD1 4.21Å; P76-L95 HydrophobicContact CB-CD2 4.07Å; Y79-L95 HydrophobicContact CD1-CB 4.31Å; Y79-L95 HydrophobicContact CD1-CD2 4.26Å; Y79-L95 HydrophobicContact CD2-CB 3.78Å; Y79-L95 HydrophobicContact CE2-CB 4.17Å; Y79-L95 HydrophobicContact CG-CB 3.86Å; Y79-L95 HydrophobicContact CG-CD2 4.37Å; Y79-L95 HydrophobicContact CG-CG 4.49Å; L95-E97 HydrophobicContact CD1-CB 3.95Å; L95-E97 HydrophobicContact CD2-CB 4.22Å; L95-E97 HydrophobicContact CG-CB 3.77Å; L95-F102 HydrophobicContact CD2-CB 3.79Å; L95-F102 HydrophobicContact CD2-CD1 4.05Å; L95-F102 HydrophobicContact CD2-CG 3.95Å; L95-Q108 PolarHBondContact N-O 2.92Å; L95-F109 HydrophobicContact CD2-CD2 4.32Å; L95-F109 HydrophobicContact CG-CD2 4.4Å; L95-F109 CarbonylContact O-C 3.56Å; L95-F109 WeakPolarHBondContact O-CA 3.31Å; L95-V110 PolarHBondContact O-N 2.86Å
96F98.1Very high91.6Very high0 Ų065.6 Ų65.60%032%0.318CS..EExtended strand (participates in β ladder)trans-100.3100.9172.3-62.8-95.7000108.5C72 L73 C74 W94 V110 Y112 L120 Y124 L153C72-F96 PolarHBondContact O-N 2.76Å; L73-F96 HydrophobicContact CD1-CB 3.56Å; L73-F96 HydrophobicContact CD1-CG 4.36Å; C74-F96 PolarHBondContact N-O 3.15Å; W94-F96 HydrophobicContact CB-CD2 4.46Å; W94-F96 HydrophobicContact CB-CE2 3.77Å; W94-F96 HydrophobicContact CB-CZ 4.27Å; W94-F96 WeakPolarHBondContact O-CD2 3.32Å; F96-V110 WeakPolarHBondContact CA-O 3.32Å; F96-V110 HydrophobicContact CD1-CB 3.73Å; F96-V110 HydrophobicContact CD1-CG1 3.92Å; F96-V110 HydrophobicContact CD1-CG2 4.21Å; F96-V110 HydrophobicContact CE1-CB 3.93Å; F96-V110 HydrophobicContact CE1-CG1 4.04Å; F96-V110 HydrophobicContact CE1-CG2 3.92Å; F96-V110 HydrophobicContact CG-CB 4.42Å; F96-V110 HydrophobicContact CZ-CG2 4.39Å; F96-Y112 HydrophobicContact CB-CD1 4.45Å; F96-Y112 HydrophobicContact CB-CG 4.19Å; F96-L120 HydrophobicContact CD1-CD1 4.03Å; F96-L120 HydrophobicContact CD1-CD2 3.97Å; F96-L120 HydrophobicContact CE1-CD1 4.08Å; F96-L120 HydrophobicContact CE1-CD2 4.24Å; F96-Y124 HydrophobicContact CE1-CD1 4.31Å; F96-Y124 HydrophobicContact CE1-CD2 4.21Å; F96-Y124 HydrophobicContact CE1-CG 4.09Å; F96-Y124 AromaticContact CZ-CD1 3.78Å; F96-Y124 HydrophobicContact CZ-CD1 3.78Å; F96-Y124 HydrophobicContact CZ-CD2 4.49Å; F96-Y124 HydrophobicContact CZ-CE1 4.15Å; F96-Y124 AromaticContact CZ-CG 3.97Å; F96-Y124 HydrophobicContact CZ-CG 3.97Å; F96-L153 HydrophobicContact CD2-CD1 4.09Å; F96-L153 HydrophobicContact CE1-CD1 4.48Å; F96-L153 HydrophobicContact CE1-CD2 3.81Å; F96-L153 HydrophobicContact CE2-CD1 3.98Å; F96-L153 HydrophobicContact CE2-CD2 4.14Å; F96-L153 HydrophobicContact CG-CD1 4.39Å; F96-L153 HydrophobicContact CZ-CD1 4.18Å; F96-L153 HydrophobicContact CZ-CD2 3.55Å
97E97.3Very high91.3Very high14 Ų1466.7 Ų66.77%0.06532%0.319CS..EExtended strand (participates in β ladder)trans-142.8146.8-168.3177.853.3-114.300111.7C74 L95 D99 F102 F109 V110 F111 Y112C74-E97 WeakPolarHBondContact CA-OE2 3.49Å; L95-E97 HydrophobicContact CD1-CB 3.95Å; L95-E97 HydrophobicContact CD2-CB 4.22Å; L95-E97 HydrophobicContact CG-CB 3.77Å; E97-D99 HydrophobicContact CG-CB 4.19Å; E97-D99 PolarHBondContact OE1-N 3.34Å; E97-F102 HydrophobicContact CG-CD2 3.64Å; E97-F102 HydrophobicContact CG-CE2 4.15Å; E97-F102 HydrophobicContact CG-CG 4.4Å; E97-F109 HydrophobicContact CB-CD2 4.42Å; E97-F109 HydrophobicContact CB-CE2 3.84Å; E97-F109 HydrophobicContact CG-CE2 4.39Å; E97-F109 WeakPolarHBondContact O-CZ 3.32Å; E97-V110 PolarHBondContact N-O 3.44Å; E97-V110 VanDerWaalsContact N-O 3.12Å; E97-F111 WeakPolarHBondContact O-CA 3.38Å; E97-Y112 CarbonylContact C-O 3.4Å; E97-Y112 PolarHBondContact O-N 3.4Å
98F96.6Very high91.3Very high73 Ų7365.9 Ų65.932%0.3231%0.309SS..SBendtrans-78.8-38179.6-178.1-96.2000111.2L41 R100 F111 Y112 D113L41-F98 HydrophobicContact CD1-CD1 4.35Å; L41-F98 HydrophobicContact CD2-CD1 3.67Å; L41-F98 HydrophobicContact CD2-CE1 3.76Å; F98-R100 PolarHBondContact O-N 3.35Å; F98-F111 AromaticContact CD2-CE2 3.89Å; F98-F111 HydrophobicContact CD2-CE2 3.89Å; F98-F111 AromaticContact CD2-CZ 3.84Å; F98-F111 HydrophobicContact CD2-CZ 3.84Å; F98-F111 HydrophobicContact CE2-CE2 4.13Å; F98-F111 AromaticContact CE2-CZ 3.82Å; F98-F111 HydrophobicContact CE2-CZ 3.82Å; F98-F111 HydrophobicContact CG-CE2 4.35Å; F98-F111 WeakPolarHBondContact O-CD2 3.42Å; F98-F111 WeakPolarHBondContact O-CE2 3.15Å; F98-Y112 WeakPolarHBondContact CA-O 3.15Å; F98-Y112 WeakPolarHBondContact CB-O 3.24Å; F98-Y112 PolarHBondContact N-O 2.87Å; F98-D113 HydrophobicContact CD2-CB 4.02Å; F98-D113 HydrophobicContact CE2-CB 4.28Å
99D95.4Very high91.5Very high10 Ų1059.3 Ų59.35%0.05328%0.28CS..  trans-70.2105.5-177.7-172.4-7.3000112.2L41 Q43 E97 R101 F102L41-D99 HydrophobicContact CD1-CB 3.72Å; Q43-D99 VanDerWaalsContact NE2-CB 3.31Å; Q43-D99 PolarHBondContact NE2-OD2 2.78Å; E97-D99 HydrophobicContact CG-CB 4.19Å; E97-D99 PolarHBondContact OE1-N 3.34Å; D99-R101 PolarHBondContact O-N 2.8Å; D99-R101 VanDerWaalsContact OD1-CB 3.24Å; D99-R101 WeakPolarHBondContact OD1-CB 3.44Å; D99-R101 WeakPolarHBondContact OD1-CG 3.47Å; D99-R101 PolarHBondContact OD1-N 3.22Å; D99-R101 IonicContact OD1-NE 3.72Å; D99-R101 PolarHBondContact OD1-NE 2.9Å; D99-R101 IonicContact OD2-CZ 2.68Å; D99-R101 IonicContact OD2-NE 3.73Å; D99-R101 PolarHBondContact OD2-NE 3.24Å; D99-R101 IonicContact OD2-NH2 2.67Å; D99-R101 PolarHBondContact OD2-NH2 2.97Å; D99-F102 HydrophobicContact CB-CD2 3.83Å; D99-F102 HydrophobicContact CB-CE2 3.99Å; D99-F102 WeakPolarHBondContact O-CD2 3.34Å; D99-F102 PolarHBondContact O-N 3.23Å; D99-F102 VanDerWaalsContact O-N 3.12Å
100R94Very high91.7Very high157 Ų15756.7 Ų56.759%0.59227%0.272SS*.G310 helixtrans-64.2-12-178.5-64.8-178.4179.4-81.1-2.9113.6F98 F102 A103 F111F98-R100 PolarHBondContact O-N 3.35Å; R100-F102 PolarHBondContact O-N 3.02Å; R100-A103 WeakPolarHBondContact O-CB 3.39Å; R100-A103 PolarHBondContact O-N 2.93Å; R100-F111 HydrophobicContact CG-CD2 3.71Å; R100-F111 HydrophobicContact CG-CE2 3.99Å; R100-F111 VanDerWaalsContact NH2-CD1 3.26Å; R100-F111 VanDerWaalsContact NH2-CG 3.33Å; R100-F111 VanDerWaalsContact NH2-CZ 3.31Å
101R92.5Very high91.9Very high102 Ų10259.9 Ų59.939%0.38529%0.286SS..G310 helixtrans-60.6-29.7172.6-63.8179.4-64.91616.1111.6V35 E36 D99 A103 A104V35-R101 HydrophobicContact CG1-CB 3.89Å; V35-R101 VanDerWaalsContact CG1-CZ 3.44Å; V35-R101 HydrophobicContact CG2-CB 4.09Å; E36-R101 PolarHBondContact O-NH1 3.38Å; E36-R101 PolarHBondContact O-NH2 3.45Å; D99-R101 PolarHBondContact O-N 2.8Å; D99-R101 VanDerWaalsContact OD1-CB 3.24Å; D99-R101 WeakPolarHBondContact OD1-CB 3.44Å; D99-R101 WeakPolarHBondContact OD1-CG 3.47Å; D99-R101 PolarHBondContact OD1-N 3.22Å; D99-R101 IonicContact OD1-NE 3.72Å; D99-R101 PolarHBondContact OD1-NE 2.9Å; D99-R101 IonicContact OD2-CZ 2.68Å; D99-R101 IonicContact OD2-NE 3.73Å; D99-R101 PolarHBondContact OD2-NE 3.24Å; D99-R101 IonicContact OD2-NH2 2.67Å; D99-R101 PolarHBondContact OD2-NH2 2.97Å; R101-A103 PolarHBondContact O-N 3.43Å; R101-A104 WeakPolarHBondContact O-CB 3.35Å; R101-A104 PolarHBondContact O-N 3.01Å
102F92Very high92.1Very high4 Ų456.8 Ų56.82%0.01827%0.267CS..G310 helixtrans-73.3-10.2175-66.9-77.7000114.2V35 W45 P76 L95 E97 D99 R100 A104 R107 F109V35-F102 HydrophobicContact CB-CD1 4.26Å; V35-F102 HydrophobicContact CB-CE1 3.62Å; V35-F102 HydrophobicContact CB-CE2 4.2Å; V35-F102 HydrophobicContact CB-CZ 3.58Å; V35-F102 HydrophobicContact CG1-CD2 4.38Å; V35-F102 HydrophobicContact CG1-CE1 4.13Å; V35-F102 HydrophobicContact CG1-CE2 3.76Å; V35-F102 HydrophobicContact CG1-CZ 3.61Å; V35-F102 HydrophobicContact CG2-CD1 3.84Å; V35-F102 HydrophobicContact CG2-CE1 3.71Å; V35-F102 HydrophobicContact CG2-CG 4.31Å; V35-F102 HydrophobicContact CG2-CZ 4.08Å; W45-F102 HydrophobicContact CH2-CE2 4.24Å; W45-F102 AromaticContact CH2-CZ 3.84Å; W45-F102 HydrophobicContact CH2-CZ 3.84Å; W45-F102 AromaticContact CZ2-CZ 4Å; W45-F102 HydrophobicContact CZ2-CZ 4Å; P76-F102 HydrophobicContact CB-CD1 3.92Å; P76-F102 HydrophobicContact CB-CD2 4.45Å; P76-F102 HydrophobicContact CB-CE1 3.37Å; P76-F102 HydrophobicContact CB-CE2 3.97Å; P76-F102 HydrophobicContact CB-CG 4.43Å; P76-F102 HydrophobicContact CB-CZ 3.4Å; P76-F102 VanDerWaalsContact CB-CZ 3.4Å; P76-F102 HydrophobicContact CG-CE1 4.07Å; P76-F102 HydrophobicContact CG-CE2 3.94Å; P76-F102 HydrophobicContact CG-CZ 3.54Å; L95-F102 HydrophobicContact CD2-CB 3.79Å; L95-F102 HydrophobicContact CD2-CD1 4.05Å; L95-F102 HydrophobicContact CD2-CG 3.95Å; E97-F102 HydrophobicContact CG-CD2 3.64Å; E97-F102 HydrophobicContact CG-CE2 4.15Å; E97-F102 HydrophobicContact CG-CG 4.4Å; D99-F102 HydrophobicContact CB-CD2 3.83Å; D99-F102 HydrophobicContact CB-CE2 3.99Å; D99-F102 WeakPolarHBondContact O-CD2 3.34Å; D99-F102 PolarHBondContact O-N 3.23Å; D99-F102 VanDerWaalsContact O-N 3.12Å; R100-F102 PolarHBondContact O-N 3.02Å; F102-A104 PolarHBondContact O-N 3.39Å; F102-R107 WeakPolarHBondContact O-CD 3.46Å; F102-F109 HydrophobicContact CB-CD2 3.77Å; F102-F109 HydrophobicContact CB-CE2 3.85Å
103A90Very high92.3Very high56 Ų5653.3 Ų53.346%0.46326%0.255SS..G310 helixtrans-71.5-7.2172.400000113R100 R101 F109R100-A103 WeakPolarHBondContact O-CB 3.39Å; R100-A103 PolarHBondContact O-N 2.93Å; R101-A103 PolarHBondContact O-N 3.43Å; A103-F109 HydrophobicContact CB-CD1 3.58Å; A103-F109 HydrophobicContact CB-CE1 3.7Å; A103-F109 HydrophobicContact CB-CG 4.15Å; A103-F109 HydrophobicContact CB-CZ 4.35Å
104A78.7Confident92.3Very high43 Ų4355.5 Ų55.536%0.35526%0.263SS..SBendtrans-61.7158.2177.800000112.5R101 F102R101-A104 WeakPolarHBondContact O-CB 3.35Å; R101-A104 PolarHBondContact O-N 3.01Å; F102-A104 PolarHBondContact O-N 3.39Å
105Q66.2Low92.3Very high182 Ų18259.5 Ų59.585%0.8528%0.278SS*.THydrogen-bonded Turntrans-53.4134.1-153.8-73.5-176.1-21.700115.1
106N77.5Confident92.3Very high153 Ų15362.1 Ų62.182%0.81830%0.297SS*.THydrogen-bonded Turntrans8210.5174.2-55.3-29.8000118
107R88.5Confident92.2Very high56 Ų5662.8 Ų62.821%0.21130%0.301CS..  trans-89.4137.9165.7-61.6-163.8174.284.9-8111.9Y79 D80 F102 F109Y79-R107 HydrophobicContact CE1-CB 3.98Å; Y79-R107 HydrophobicContact CE1-CG 3.76Å; Y79-R107 WeakPolarHBondContact OH-CA 3.26Å; D80-R107 IonicContact OD1-CZ 3Å; D80-R107 IonicContact OD1-NE 3.19Å; D80-R107 PolarHBondContact OD1-NE 3.49Å; D80-R107 IonicContact OD1-NH2 3.46Å; D80-R107 PolarHBondContact OD1-NH2 2.95Å; D80-R107 IonicContact OD2-CZ 3.22Å; D80-R107 IonicContact OD2-NE 3Å; D80-R107 IonicContact OD2-NH2 3.9Å; D80-R107 PolarHBondContact OD2-NH2 3.02Å; F102-R107 WeakPolarHBondContact O-CD 3.46Å; R107-F109 HydrophobicContact CB-CB 4.35Å; R107-F109 PolarHBondContact O-N 2.98Å
108Q94.1Very high92.1Very high64 Ų6465.9 Ų65.930%0.29932%0.321SS..  trans-7380.5164.3-68-94.736.900108.1Y79 T91 A93 W94 L95Y79-Q108 HydrophobicContact CE2-CB 4.42Å; Y79-Q108 PolarHBondContact OH-N 3.5Å; T91-Q108 PolarHBondContact O-NE2 3.16Å; A93-Q108 WeakPolarHBondContact O-CB 3.42Å; A93-Q108 WeakPolarHBondContact O-CG 3.04Å; W94-Q108 CarbonylContact C-O 3.6Å; W94-Q108 WeakPolarHBondContact CA-O 3.38Å; W94-Q108 HydrophobicContact CD2-CB 3.93Å; W94-Q108 HydrophobicContact CE3-CB 3.94Å; W94-Q108 HydrophobicContact CG-CB 4.27Å; W94-Q108 HydrophobicContact CZ3-CB 4.41Å; L95-Q108 PolarHBondContact N-O 2.92Å
109F96Very high92.1Very high36 Ų3668.7 Ų68.716%0.15834%0.339CS..EExtended strand (participates in β ladder)trans-108.8138.1-170.4172.1-89.9000112.3L95 E97 F102 A103 R107 F111L95-F109 HydrophobicContact CD2-CD2 4.32Å; L95-F109 HydrophobicContact CG-CD2 4.4Å; L95-F109 CarbonylContact O-C 3.56Å; L95-F109 WeakPolarHBondContact O-CA 3.31Å; E97-F109 HydrophobicContact CB-CD2 4.42Å; E97-F109 HydrophobicContact CB-CE2 3.84Å; E97-F109 HydrophobicContact CG-CE2 4.39Å; E97-F109 WeakPolarHBondContact O-CZ 3.32Å; F102-F109 HydrophobicContact CB-CD2 3.77Å; F102-F109 HydrophobicContact CB-CE2 3.85Å; A103-F109 HydrophobicContact CB-CD1 3.58Å; A103-F109 HydrophobicContact CB-CE1 3.7Å; A103-F109 HydrophobicContact CB-CG 4.15Å; A103-F109 HydrophobicContact CB-CZ 4.35Å; R107-F109 HydrophobicContact CB-CB 4.35Å; R107-F109 PolarHBondContact O-N 2.98Å; F109-F111 HydrophobicContact CE1-CB 3.89Å; F109-F111 VanDerWaalsContact CE1-N 3.33Å; F109-F111 HydrophobicContact CZ-CB 4.16Å
110V96.9Very high92.1Very high16 Ų1669 Ų6910%0.09734%0.341CS..EExtended strand (participates in β ladder)trans-124.2121.6168.8-176.10000108.1W94 L95 F96 E97 Y112 L120 Y124W94-V110 HydrophobicContact CE3-CG2 3.65Å; W94-V110 HydrophobicContact CZ3-CG2 3.96Å; L95-V110 PolarHBondContact O-N 2.86Å; F96-V110 WeakPolarHBondContact CA-O 3.32Å; F96-V110 HydrophobicContact CD1-CB 3.73Å; F96-V110 HydrophobicContact CD1-CG1 3.92Å; F96-V110 HydrophobicContact CD1-CG2 4.21Å; F96-V110 HydrophobicContact CE1-CB 3.93Å; F96-V110 HydrophobicContact CE1-CG1 4.04Å; F96-V110 HydrophobicContact CE1-CG2 3.92Å; F96-V110 HydrophobicContact CG-CB 4.42Å; F96-V110 HydrophobicContact CZ-CG2 4.39Å; E97-V110 PolarHBondContact N-O 3.44Å; E97-V110 VanDerWaalsContact N-O 3.12Å; V110-Y112 PolarHBondContact O-N 3.17Å; V110-L120 HydrophobicContact CG1-CD2 3.82Å; V110-Y124 HydrophobicContact CG1-CE2 4.46Å; V110-Y124 HydrophobicContact CG2-CE1 4.35Å; V110-Y124 HydrophobicContact CG2-CE2 3.82Å; V110-Y124 WeakPolarHBondContact CG2-OH 3.33Å
111F96.7Very high92.2Very high68 Ų6864.9 Ų64.930%0.29833%0.334SS..EExtended strand (participates in β ladder)trans-62.9123.3171.4175.3-98000109.1E97 F98 R100 F109 D113E97-F111 WeakPolarHBondContact O-CA 3.38Å; F98-F111 AromaticContact CD2-CE2 3.89Å; F98-F111 HydrophobicContact CD2-CE2 3.89Å; F98-F111 AromaticContact CD2-CZ 3.84Å; F98-F111 HydrophobicContact CD2-CZ 3.84Å; F98-F111 HydrophobicContact CE2-CE2 4.13Å; F98-F111 AromaticContact CE2-CZ 3.82Å; F98-F111 HydrophobicContact CE2-CZ 3.82Å; F98-F111 HydrophobicContact CG-CE2 4.35Å; F98-F111 WeakPolarHBondContact O-CD2 3.42Å; F98-F111 WeakPolarHBondContact O-CE2 3.15Å; R100-F111 HydrophobicContact CG-CD2 3.71Å; R100-F111 HydrophobicContact CG-CE2 3.99Å; R100-F111 VanDerWaalsContact NH2-CD1 3.26Å; R100-F111 VanDerWaalsContact NH2-CG 3.33Å; R100-F111 VanDerWaalsContact NH2-CZ 3.31Å; F109-F111 HydrophobicContact CE1-CB 3.89Å; F109-F111 VanDerWaalsContact CE1-N 3.33Å; F109-F111 HydrophobicContact CZ-CB 4.16Å; F111-D113 HydrophobicContact CE1-CB 4.44Å
112Y97.8Very high92.4Very high5 Ų564 Ų642%0.0235%0.349CS..  trans-133.1131.3-176.9163.2-104.3000110.2L73 C74 F96 E97 F98 V110 Y114 L120 T149L73-Y112 HydrophobicContact CD1-CD1 3.63Å; L73-Y112 HydrophobicContact CD1-CD2 4.38Å; L73-Y112 HydrophobicContact CD1-CE1 3.43Å; L73-Y112 VanDerWaalsContact CD1-CE1 3.43Å; L73-Y112 HydrophobicContact CD1-CE2 4.2Å; L73-Y112 HydrophobicContact CD1-CG 4.1Å; L73-Y112 HydrophobicContact CG-CE1 4.27Å; C74-Y112 VanDerWaalsContact SG-CE1 3.6Å; F96-Y112 HydrophobicContact CB-CD1 4.45Å; F96-Y112 HydrophobicContact CB-CG 4.19Å; E97-Y112 CarbonylContact C-O 3.4Å; E97-Y112 PolarHBondContact O-N 3.4Å; F98-Y112 WeakPolarHBondContact CA-O 3.15Å; F98-Y112 WeakPolarHBondContact CB-O 3.24Å; F98-Y112 PolarHBondContact N-O 2.87Å; V110-Y112 PolarHBondContact O-N 3.17Å; Y112-Y114 WeakPolarHBondContact OH-CA 3.28Å; Y112-Y114 WeakPolarHBondContact OH-CB 3.47Å; Y112-L120 HydrophobicContact CD2-CD1 4.36Å; Y112-L120 HydrophobicContact CD2-CD2 4.2Å; Y112-L120 HydrophobicContact CD2-CG 4.49Å; Y112-T149 HydrophobicContact CD2-CG2 4.17Å; Y112-T149 HydrophobicContact CE2-CG2 3.5Å; Y112-T149 VanDerWaalsContact CE2-CG2 3.5Å; Y112-T149 WeakPolarHBondContact CE2-OG1 3.5Å; Y112-T149 PolarHBondContact OH-OG1 2.98Å
113D97.9Very high92.5Very high28 Ų2869 Ų6915%0.1538%0.38CS..  trans-118.7115.5172.9-173.9-18.6000108.8F98 F111 R115 S116F98-D113 HydrophobicContact CD2-CB 4.02Å; F98-D113 HydrophobicContact CE2-CB 4.28Å; F111-D113 HydrophobicContact CE1-CB 4.44Å; D113-R115 PolarHBondContact O-N 2.97Å; D113-R115 VanDerWaalsContact OD1-CB 3.26Å; D113-R115 WeakPolarHBondContact OD1-CB 3.35Å; D113-R115 WeakPolarHBondContact OD1-CG 3.36Å; D113-R115 IonicContact OD1-CZ 3.17Å; D113-R115 PolarHBondContact OD1-N 2.87Å; D113-R115 IonicContact OD1-NE 2.79Å; D113-R115 PolarHBondContact OD1-NE 2.64Å; D113-R115 IonicContact OD1-NH2 2.84Å; D113-R115 IonicContact OD2-CZ 2.64Å; D113-R115 VanDerWaalsContact OD2-CZ 3.22Å; D113-R115 IonicContact OD2-NE 2.92Å; D113-R115 PolarHBondContact OD2-NE 3.13Å; D113-R115 IonicContact OD2-NH2 3.93Å; D113-R115 PolarHBondContact OD2-NH2 2.82Å; D113-S116 CarbonylContact O-C 3.58Å; D113-S116 VanDerWaalsContact O-C 3.28Å; D113-S116 WeakPolarHBondContact O-CA 3.31Å; D113-S116 PolarHBondContact O-N 2.84Å
114Y97.4Very high92.7Very high45 Ų4567.4 Ų67.418%0.17636%0.362CS..THydrogen-bonded Turntrans-59.8-21.3-178.581.2-89.2000113Y112 S116 P117 P136 F137 C142 K145Y112-Y114 WeakPolarHBondContact OH-CA 3.28Å; Y112-Y114 WeakPolarHBondContact OH-CB 3.47Å; Y114-S116 PolarHBondContact O-N 3.06Å; Y114-P117 WeakPolarHBondContact O-CD 3.24Å; Y114-P136 HydrophobicContact CD1-CG 4.16Å; Y114-P136 HydrophobicContact CE1-CG 4.43Å; Y114-F137 AromaticContact CE1-CD2 3.96Å; Y114-F137 HydrophobicContact CE1-CD2 3.96Å; Y114-F137 AromaticContact CE1-CE2 3.8Å; Y114-F137 HydrophobicContact CE1-CE2 3.8Å; Y114-C142 HydrophobicContact CD2-CB 4.28Å; Y114-C142 HydrophobicContact CE2-CB 3.98Å; Y114-K145 HydrophobicContact CD2-CB 4.04Å; Y114-K145 HydrophobicContact CD2-CG 4.37Å; Y114-K145 VanDerWaalsContact O-CB 3.24Å; Y114-K145 WeakPolarHBondContact O-CB 3.35Å
115R97.1Very high93.6Very high137 Ų13772.1 Ų72.152%0.51738%0.375SS..THydrogen-bonded Turntrans-63-27.4174.7-62.8173.2-69.3-167.30.2111.5D113 P117D113-R115 PolarHBondContact O-N 2.97Å; D113-R115 VanDerWaalsContact OD1-CB 3.26Å; D113-R115 WeakPolarHBondContact OD1-CB 3.35Å; D113-R115 WeakPolarHBondContact OD1-CG 3.36Å; D113-R115 IonicContact OD1-CZ 3.17Å; D113-R115 PolarHBondContact OD1-N 2.87Å; D113-R115 IonicContact OD1-NE 2.79Å; D113-R115 PolarHBondContact OD1-NE 2.64Å; D113-R115 IonicContact OD1-NH2 2.84Å; D113-R115 IonicContact OD2-CZ 2.64Å; D113-R115 VanDerWaalsContact OD2-CZ 3.22Å; D113-R115 IonicContact OD2-NE 2.92Å; D113-R115 PolarHBondContact OD2-NE 3.13Å; D113-R115 IonicContact OD2-NH2 3.93Å; D113-R115 PolarHBondContact OD2-NH2 2.82Å; R115-P117 WeakPolarHBondContact O-CD 3.31Å
116S97.7Very high95Very high56 Ų5666 Ų6639%0.39236%0.356SS..SBendtrans-119.468.1177.5-60.90000110.8D113 Y114 V118 D119D113-S116 CarbonylContact O-C 3.58Å; D113-S116 VanDerWaalsContact O-C 3.28Å; D113-S116 WeakPolarHBondContact O-CA 3.31Å; D113-S116 PolarHBondContact O-N 2.84Å; Y114-S116 PolarHBondContact O-N 3.06Å; S116-V118 PolarHBondContact O-N 3.05Å; S116-D119 WeakPolarHBondContact O-CB 3.24Å; S116-D119 PolarHBondContact O-N 2.89Å
117P95.7Very high95.8Very high14 Ų1460.2 Ų60.29%0.09133%0.327CS..THydrogen-bonded Turntrans-64.6-20.8-161.527.1-37.6000115.3Y114 R115 K145 T148 T149Y114-P117 WeakPolarHBondContact O-CD 3.24Å; R115-P117 WeakPolarHBondContact O-CD 3.31Å; P117-K145 HydrophobicContact CB-CB 4.33Å; P117-K145 HydrophobicContact CB-CD 4.39Å; P117-K145 VanDerWaalsContact CB-O 3.29Å; P117-K145 WeakPolarHBondContact CB-O 3.45Å; P117-K145 HydrophobicContact CG-CD 3.7Å; P117-T148 HydrophobicContact CB-CG2 4.31Å; P117-T148 HydrophobicContact CG-CG2 4.21Å; P117-T149 WeakPolarHBondContact CA-OG1 3.18Å; P117-T149 WeakPolarHBondContact CB-OG1 3.46Å; P117-T149 WeakPolarHBondContact O-CB 3.46Å; P117-T149 WeakPolarHBondContact O-CG2 3.42Å; P117-T149 PolarHBondContact O-OG1 3.06Å
118V94.9Very high96.2Very high78 Ų7857.8 Ų57.847%0.47332%0.318SS..THydrogen-bonded Turntrans-120.916.1-179.7-62.50000112.4S116 L120 T148 F152S116-V118 PolarHBondContact O-N 3.05Å; V118-L120 PolarHBondContact O-N 3.36Å; V118-T148 HydrophobicContact CG1-CG2 3.96Å; V118-F152 HydrophobicContact CB-CD2 4.29Å; V118-F152 HydrophobicContact CG1-CB 4.06Å; V118-F152 HydrophobicContact CG1-CD2 4.07Å; V118-F152 HydrophobicContact CG1-CG 4.24Å
119D96.9Very high96.3Very high132 Ų13255.2 Ų55.271%0.70631%0.307SS*.  trans-79.959168.9-168.223.6000109.7S116S116-D119 WeakPolarHBondContact O-CB 3.24Å; S116-D119 PolarHBondContact O-N 2.89Å
120L96.4Very high96.4Very high17 Ų1753.5 Ų53.59%0.08930%0.3CS..SBendtrans-126.8147.1-178.6-68.1176.7000109.3F96 V110 Y112 V118 A122 T149 F152 L153F96-L120 HydrophobicContact CD1-CD1 4.03Å; F96-L120 HydrophobicContact CD1-CD2 3.97Å; F96-L120 HydrophobicContact CE1-CD1 4.08Å; F96-L120 HydrophobicContact CE1-CD2 4.24Å; V110-L120 HydrophobicContact CG1-CD2 3.82Å; Y112-L120 HydrophobicContact CD2-CD1 4.36Å; Y112-L120 HydrophobicContact CD2-CD2 4.2Å; Y112-L120 HydrophobicContact CD2-CG 4.49Å; V118-L120 PolarHBondContact O-N 3.36Å; L120-A122 PolarHBondContact O-N 3.31Å; L120-T149 HydrophobicContact CD1-CG2 3.72Å; L120-F152 HydrophobicContact CB-CE1 3.88Å; L120-F152 HydrophobicContact CB-CZ 4.39Å; L120-F152 HydrophobicContact CD1-CD1 4.28Å; L120-F152 HydrophobicContact CD1-CE1 4.39Å; L120-L153 HydrophobicContact CD1-CD2 4.18Å
121P95.8Very high96.5Very high70 Ų7052.7 Ų52.746%0.45530%0.295SS..  trans-53.7137.1175.6-2835.9000112.3T123 Y124P121-T123 HydrophobicContact CB-CG2 4.07Å; P121-T123 PolarHBondContact O-N 2.74Å; P121-Y124 HydrophobicContact CB-CD2 3.94Å; P121-Y124 HydrophobicContact CB-CE2 4.04Å; P121-Y124 HydrophobicContact CG-CD2 4.18Å; P121-Y124 HydrophobicContact CG-CE2 3.98Å; P121-Y124 PolarHBondContact O-N 2.83Å
122A95.5Very high96.6Very high85 Ų8549.5 Ų49.570%0.70228%0.281SS*.G310 helixtrans-58.7-20.9-177.500000113.7L120 Y124 K125L120-A122 PolarHBondContact O-N 3.31Å; A122-Y124 PolarHBondContact O-N 2.94Å; A122-K125 VanDerWaalsContact O-CB 3.32Å; A122-K125 WeakPolarHBondContact O-CB 3.41Å; A122-K125 PolarHBondContact O-N 2.98Å; A122-K125 VanDerWaalsContact O-N 3.09Å
123T94.7Very high96.6Very high107 Ų10749.3 Ų49.366%0.65628%0.28SS*.G310 helixtrans-60.3-21.8174.7-163.10000113.6P121P121-T123 HydrophobicContact CB-CG2 4.07Å; P121-T123 PolarHBondContact O-N 2.74Å
124Y95.5Very high96.6Very high23 Ų2348.8 Ų48.89%0.0928%0.278CS..G310 helixtrans-91.4-4.8178.4-61.4-68.2000113.5W94 F96 V110 P121 A122 A126 S127 L153W94-Y124 AromaticContact CD2-CE1 3.87Å; W94-Y124 HydrophobicContact CD2-CE1 3.87Å; W94-Y124 HydrophobicContact CE3-CE1 4.07Å; W94-Y124 VanDerWaalsContact CE3-OH 3.3Å; W94-Y124 HydrophobicContact CG-CE1 4.27Å; W94-Y124 WeakPolarHBondContact CH2-OH 3.32Å; W94-Y124 HydrophobicContact CZ2-CE1 4.36Å; W94-Y124 HydrophobicContact CZ3-CE1 4.4Å; W94-Y124 WeakPolarHBondContact CZ3-OH 3.35Å; F96-Y124 HydrophobicContact CE1-CD1 4.31Å; F96-Y124 HydrophobicContact CE1-CD2 4.21Å; F96-Y124 HydrophobicContact CE1-CG 4.09Å; F96-Y124 AromaticContact CZ-CD1 3.78Å; F96-Y124 HydrophobicContact CZ-CD1 3.78Å; F96-Y124 HydrophobicContact CZ-CD2 4.49Å; F96-Y124 HydrophobicContact CZ-CE1 4.15Å; F96-Y124 AromaticContact CZ-CG 3.97Å; F96-Y124 HydrophobicContact CZ-CG 3.97Å; V110-Y124 HydrophobicContact CG1-CE2 4.46Å; V110-Y124 HydrophobicContact CG2-CE1 4.35Å; V110-Y124 HydrophobicContact CG2-CE2 3.82Å; V110-Y124 WeakPolarHBondContact CG2-OH 3.33Å; P121-Y124 HydrophobicContact CB-CD2 3.94Å; P121-Y124 HydrophobicContact CB-CE2 4.04Å; P121-Y124 HydrophobicContact CG-CD2 4.18Å; P121-Y124 HydrophobicContact CG-CE2 3.98Å; P121-Y124 PolarHBondContact O-N 2.83Å; A122-Y124 PolarHBondContact O-N 2.94Å; Y124-A126 PolarHBondContact O-N 3.4Å; Y124-S127 VanDerWaalsContact CA-OG 3.28Å; Y124-S127 WeakPolarHBondContact CA-OG 3.41Å; Y124-S127 PolarHBondContact O-N 2.95Å; Y124-S127 PolarHBondContact O-OG 3.29Å; Y124-S127 VanDerWaalsContact O-OG 3.06Å; Y124-L153 WeakPolarHBondContact O-CA 3.34Å
125K96.5Very high96.6Very high142 Ų14246.9 Ų46.962%0.61727%0.271SS*.THydrogen-bonded Turntrans-67.9119.5-179.4-171.1177.7-179.4179.20109.8A122 S127 F152A122-K125 VanDerWaalsContact O-CB 3.32Å; A122-K125 WeakPolarHBondContact O-CB 3.41Å; A122-K125 PolarHBondContact O-N 2.98Å; A122-K125 VanDerWaalsContact O-N 3.09Å; K125-S127 PolarHBondContact O-N 3.21Å; K125-F152 CarbonylContact C-O 3.54Å; K125-F152 VanDerWaalsContact CA-O 3.32Å; K125-F152 WeakPolarHBondContact CA-O 3.37Å; K125-F152 HydrophobicContact CB-CD2 4.47Å; K125-F152 HydrophobicContact CB-CE1 4.16Å; K125-F152 HydrophobicContact CB-CE2 3.91Å; K125-F152 HydrophobicContact CB-CZ 3.74Å; K125-F152 HydrophobicContact CD-CE2 4.11Å; K125-F152 HydrophobicContact CG-CD2 4.14Å; K125-F152 HydrophobicContact CG-CE2 3.93Å; K125-F152 HydrophobicContact CG-CZ 4.27Å
126A95.8Very high96.5Very high55 Ų5541.7 Ų41.746%0.45526%0.255SS..THydrogen-bonded Turntrans51.731.8-177.200000113.8Y124 F152 L153 T155Y124-A126 PolarHBondContact O-N 3.4Å; A126-F152 PolarHBondContact N-O 2.86Å; A126-L153 CarbonylContact C-O 3.53Å; A126-L153 VanDerWaalsContact CA-O 3.31Å; A126-L153 WeakPolarHBondContact CA-O 3.2Å; A126-L153 PolarHBondContact N-O 2.65Å; A126-T155 HydrophobicContact CB-CG2 4.04Å
127S94.8Very high96.4Very high31 Ų3142.6 Ų42.622%0.21725%0.252CS..  trans-92.6-19.6-177.969.70000113.5Y124 K125 L153Y124-S127 VanDerWaalsContact CA-OG 3.28Å; Y124-S127 WeakPolarHBondContact CA-OG 3.41Å; Y124-S127 PolarHBondContact O-N 2.95Å; Y124-S127 PolarHBondContact O-OG 3.29Å; Y124-S127 VanDerWaalsContact O-OG 3.06Å; K125-S127 PolarHBondContact O-N 3.21Å; S127-L153 PolarHBondContact N-O 3.19Å
128C96.5Very high96.3Very high4 Ų444.5 Ų44.53%0.02726%0.261CS..EExtended strand (participates in β ladder)trans-91.2131.3-175.1-58.90000110.8L69 V131 L153 T154L69-C128 CarbonylContact O-C 3.53Å; L69-C128 WeakPolarHBondContact O-CA 3.49Å; C128-V131 HydrophobicContact CB-CG2 3.66Å; C128-L153 WeakPolarHBondContact CB-O 3.4Å; C128-L153 PolarHBondContact N-O 3.33Å; C128-T154 WeakPolarHBondContact O-CB 3.46Å; C128-T154 PolarHBondContact O-OG1 3.09Å
129S96.1Very high96.4Very high10 Ų1042.9 Ų42.97%0.0725%0.253CS..EExtended strand (participates in β ladder)trans-79-25.5171.8-72.30000112.5K65 G68 L69 R157K65-S129 WeakPolarHBondContact CD-OG 3.3Å; G68-S129 WeakPolarHBondContact CA-OG 3.29Å; L69-S129 PolarHBondContact O-N 2.97Å; S129-R157 WeakPolarHBondContact O-CB 3.32Å
130V97.5Very high96.5Very high0 Ų041.9 Ų41.90%024%0.244CC..EExtended strand (participates in β ladder)trans-142.6140.8168.661.90000109.5C58 A61 I62 L69 I70 G71 R157 I159C58-V130 HydrophobicContact CB-CG1 4.44Å; A61-V130 HydrophobicContact CB-CB 3.92Å; A61-V130 HydrophobicContact CB-CG1 4.03Å; A61-V130 HydrophobicContact CB-CG2 4.1Å; I62-V130 HydrophobicContact CG2-CG1 3.85Å; L69-V130 PolarHBondContact O-N 3.33Å; I70-V130 HydrophobicContact CB-CG1 4.26Å; I70-V130 HydrophobicContact CG1-CG1 3.87Å; I70-V130 HydrophobicContact CG2-CG1 4.09Å; G71-V130 PolarHBondContact N-O 3.39Å; V130-R157 CarbonylContact C-O 3.48Å; V130-R157 VanDerWaalsContact CA-O 3.32Å; V130-R157 WeakPolarHBondContact CA-O 3.43Å; V130-R157 HydrophobicContact CB-CB 4.09Å; V130-R157 HydrophobicContact CG2-CB 4.01Å; V130-I159 HydrophobicContact CG2-CD1 4.26Å; V130-I159 HydrophobicContact CG2-CG1 4.38Å
131V98.4Very high96.5Very high0 Ų047 Ų470%027%0.268CS..EExtended strand (participates in β ladder)trans-119.8126.3168.8173.70000108.3G71 L73 C128 A150 L153 T154 R157 I158 I159G71-V131 CarbonylContact O-C 3.49Å; G71-V131 VanDerWaalsContact O-CA 3.32Å; G71-V131 WeakPolarHBondContact O-CA 3.31Å; L73-V131 HydrophobicContact CB-CG1 4.45Å; C128-V131 HydrophobicContact CB-CG2 3.66Å; V131-A150 HydrophobicContact CG1-CB 4.09Å; V131-L153 HydrophobicContact CG1-CD1 4.46Å; V131-L153 HydrophobicContact CG2-CB 3.68Å; V131-L153 HydrophobicContact CG2-CD1 4.35Å; V131-T154 HydrophobicContact CB-CG2 3.92Å; V131-T154 HydrophobicContact CG2-CG2 3.5Å; V131-R157 PolarHBondContact N-O 3.38Å; V131-I158 CarbonylContact O-C 3.54Å; V131-I158 WeakPolarHBondContact O-CA 3.35Å; V131-I159 PolarHBondContact O-N 3.02Å
132I98.8Very high96.6Very high1 Ų143.6 Ų43.61%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-106.8132.1167.1-178.6160.3000109.1L54 G71 L73 C75 V78 I159L54-I132 HydrophobicContact CB-CD1 3.92Å; L54-I132 HydrophobicContact CD1-CD1 4.29Å; L54-I132 HydrophobicContact CD2-CD1 3.9Å; L54-I132 HydrophobicContact CG-CD1 4.25Å; G71-I132 PolarHBondContact O-N 3.11Å; L73-I132 PolarHBondContact N-O 3.42Å; C75-I132 PolarHBondContact SG-O 3.35Å; V78-I132 HydrophobicContact CG1-CD1 4.24Å; V78-I132 HydrophobicContact CG1-CG2 4.34Å; V78-I132 HydrophobicContact CG2-CD1 4.34Å; I132-I159 CarbonylContact C-O 3.5Å; I132-I159 WeakPolarHBondContact CA-O 3.3Å; I132-I159 HydrophobicContact CB-CB 4.2Å; I132-I159 HydrophobicContact CD1-CB 4.37Å; I132-I159 HydrophobicContact CD1-CD1 4.48Å; I132-I159 HydrophobicContact CD1-CG2 4.11Å; I132-I159 HydrophobicContact CG1-CB 4.09Å; I132-I159 HydrophobicContact CG1-CG2 4.2Å
133A98.7Very high96.8Very high0 Ų039.6 Ų39.60%021%0.213CC..EExtended strand (participates in β ladder)trans-128.9138.7-177.300000112.4L73 V146 I159 F160 C161L73-A133 HydrophobicContact CB-CB 4.02Å; L73-A133 HydrophobicContact CD2-CB 4.14Å; L73-A133 HydrophobicContact CG-CB 4.4Å; L73-A133 VanDerWaalsContact O-CA 3.31Å; L73-A133 WeakPolarHBondContact O-CA 3.36Å; A133-V146 HydrophobicContact CB-CG1 3.9Å; A133-I159 PolarHBondContact N-O 3.24Å; A133-F160 HydrophobicContact CB-CD1 3.99Å; A133-F160 HydrophobicContact CB-CD2 4.09Å; A133-F160 HydrophobicContact CB-CE1 3.75Å; A133-F160 HydrophobicContact CB-CE2 3.85Å; A133-F160 HydrophobicContact CB-CG 4.16Å; A133-F160 HydrophobicContact CB-CZ 3.67Å; A133-F160 WeakPolarHBondContact O-CA 3.49Å; A133-C161 PolarHBondContact O-N 2.92Å
134D98Very high97Very high18 Ų1836.8 Ų36.810%0.09619%0.193CC..  trans-130.585.6171.7-171.98.5000110.2Y46 L73 C74 C75Y46-D134 VanDerWaalsContact CE2-OD2 3.29Å; Y46-D134 WeakPolarHBondContact CE2-OD2 3.19Å; Y46-D134 PolarHBondContact OH-OD1 3.25Å; Y46-D134 PolarHBondContact OH-OD2 3.2Å; L73-D134 PolarHBondContact O-N 3.31Å; C74-D134 WeakPolarHBondContact CB-O 3.4Å; C75-D134 HydrophobicContact CB-CB 3.8Å
135P97.4Very high97.1Very high5 Ų539.1 Ų39.13%0.03220%0.204CC..  trans-55.8132.8-174.6-21.429.9000112.2F137 L143 V146 F160 C161P135-F137 VanDerWaalsContact C-N 3.27Å; P135-F137 PolarHBondContact O-N 3.06Å; P135-L143 HydrophobicContact CG-CD1 3.92Å; P135-V146 HydrophobicContact CB-CB 4.37Å; P135-V146 HydrophobicContact CB-CG1 4.47Å; P135-V146 HydrophobicContact CB-CG2 4.06Å; P135-V146 HydrophobicContact CG-CB 4.21Å; P135-V146 HydrophobicContact CG-CG1 4Å; P135-V146 HydrophobicContact CG-CG2 4.42Å; P135-F160 HydrophobicContact CG-CD1 4.07Å; P135-F160 HydrophobicContact CG-CE1 4.01Å; P135-C161 WeakPolarHBondContact CD-O 3.45Å
136P95Very high97.2Very high28 Ų2832.3 Ų32.318%0.18217%0.174CC..SBendtrans-63.2-32.3-173.322.8-33.9000113S42 Y114S42-P136 WeakPolarHBondContact CB-O 3.32Å; S42-P136 PolarHBondContact OG-O 3.14Å; Y114-P136 HydrophobicContact CD1-CG 4.16Å; Y114-P136 HydrophobicContact CE1-CG 4.43Å
137F95.3Very high97.4Very high75 Ų7529.8 Ų29.833%0.32915%0.153SC..SBendtrans-120137.3-176.6-55.9-75.1000112Y114 P135 S139 C142Y114-F137 AromaticContact CE1-CD2 3.96Å; Y114-F137 HydrophobicContact CE1-CD2 3.96Å; Y114-F137 AromaticContact CE1-CE2 3.8Å; Y114-F137 HydrophobicContact CE1-CE2 3.8Å; P135-F137 VanDerWaalsContact C-N 3.27Å; P135-F137 PolarHBondContact O-N 3.06Å; F137-S139 PolarHBondContact O-N 3.41Å; F137-C142 HydrophobicContact CB-CB 4.02Å
138L94.7Very high97.5Very high54 Ų5431.4 Ų31.428%0.28316%0.162SC..SBendtrans-77.565.2170-63-177.9000111.1M166 N191 F193L138-M166 HydrophobicContact CD2-CG 4.12Å; L138-N191 HydrophobicContact CD1-CB 3.69Å; L138-N191 VanDerWaalsContact CD1-CG 3.49Å; L138-N191 VanDerWaalsContact CD1-ND2 3.29Å; L138-N191 WeakPolarHBondContact CD1-ND2 3.21Å; L138-F193 HydrophobicContact CD1-CE2 4.4Å; L138-F193 HydrophobicContact CD1-CZ 4.27Å; L138-F193 HydrophobicContact CD2-CE1 4.39Å; L138-F193 HydrophobicContact CD2-CZ 4.18Å; L138-F193 HydrophobicContact CG-CZ 4.47Å
139S96.6Very high97.6Very high44 Ų4431.2 Ų31.231%0.30816%0.161SC..SBendtrans-133.7148175.966.30000110.6F137 E141 C142 L143F137-S139 PolarHBondContact O-N 3.41Å; S139-E141 VanDerWaalsContact C-N 3.33Å; S139-E141 PolarHBondContact O-N 2.92Å; S139-C142 PolarHBondContact O-N 2.85Å; S139-C142 WeakPolarHBondContact OG-CB 3.29Å; S139-C142 PolarHBondContact OG-N 2.75Å; S139-L143 WeakPolarHBondContact O-CB 3.28Å; S139-L143 PolarHBondContact O-N 3.5Å
140E97.9Very high97.8Very high111 Ų11130.8 Ų30.852%0.51916%0.157SC..Hα-helixtrans-58.2-44.6178176.9165.8-178.800111.8C142 L143 L144 I169E140-C142 PolarHBondContact O-N 2.96Å; E140-L143 PolarHBondContact O-N 3.48Å; E140-L144 HydrophobicContact CG-CD1 3.78Å; E140-L144 HydrophobicContact CG-CG 4.19Å; E140-L144 WeakPolarHBondContact O-CB 3.4Å; E140-L144 VanDerWaalsContact O-CG 3.24Å; E140-L144 WeakPolarHBondContact O-CG 3.4Å; E140-L144 PolarHBondContact O-N 2.86Å; E140-I169 HydrophobicContact CB-CD1 3.81Å; E140-I169 HydrophobicContact CG-CD1 3.8Å; E140-I169 HydrophobicContact CG-CG2 4.32Å
141E97.9Very high97.8Very high123 Ų12335.8 Ų35.858%0.57518%0.179SC*.Hα-helixtrans-58-51.9178.5-174.4-170.6162.600111.7S139 L143 L144 K145S139-E141 VanDerWaalsContact C-N 3.33Å; S139-E141 PolarHBondContact O-N 2.92Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 3.05Å; E141-L144 PolarHBondContact O-N 3.41Å; E141-K145 WeakPolarHBondContact O-CB 3.41Å; E141-K145 WeakPolarHBondContact O-CG 3.33Å; E141-K145 PolarHBondContact O-N 3.2Å; E141-K145 VanDerWaalsContact O-N 3.1Å
142C98.1Very high97.8Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-59-47.3179.1-177.50000111Y114 F137 S139 E140 L144 K145 V146Y114-C142 HydrophobicContact CD2-CB 4.28Å; Y114-C142 HydrophobicContact CE2-CB 3.98Å; F137-C142 HydrophobicContact CB-CB 4.02Å; S139-C142 PolarHBondContact O-N 2.85Å; S139-C142 WeakPolarHBondContact OG-CB 3.29Å; S139-C142 PolarHBondContact OG-N 2.75Å; E140-C142 PolarHBondContact O-N 2.96Å; C142-L144 PolarHBondContact O-N 3.36Å; C142-K145 PolarHBondContact O-N 3.34Å; C142-V146 VanDerWaalsContact O-CG2 3.31Å; C142-V146 WeakPolarHBondContact O-CG2 3.16Å; C142-V146 PolarHBondContact O-N 3.43Å
143L98.5Very high97.7Very high1 Ų137.3 Ų37.31%0.00519%0.186CC..Hα-helixtrans-59.4-49.3-179.5-176.570.2000111.8P135 S139 E140 E141 K145 V146 I147 F160 M166 I169 L170P135-L143 HydrophobicContact CG-CD1 3.92Å; S139-L143 WeakPolarHBondContact O-CB 3.28Å; S139-L143 PolarHBondContact O-N 3.5Å; E140-L143 PolarHBondContact O-N 3.48Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 3.05Å; L143-K145 VanDerWaalsContact C-N 3.28Å; L143-K145 PolarHBondContact O-N 3.1Å; L143-V146 PolarHBondContact O-N 3.42Å; L143-I147 HydrophobicContact CD1-CD1 4.31Å; L143-I147 HydrophobicContact CD2-CD1 4.38Å; L143-I147 HydrophobicContact CG-CD1 3.83Å; L143-I147 HydrophobicContact CG-CG1 4.46Å; L143-I147 WeakPolarHBondContact O-CB 3.4Å; L143-I147 VanDerWaalsContact O-CG1 3.24Å; L143-I147 WeakPolarHBondContact O-CG1 3.27Å; L143-I147 PolarHBondContact O-N 3.32Å; L143-F160 HydrophobicContact CD1-CD1 4.23Å; L143-F160 HydrophobicContact CD1-CE1 4.26Å; L143-M166 HydrophobicContact CD2-CB 3.81Å; L143-M166 HydrophobicContact CD2-CG 4.31Å; L143-M166 HydrophobicContact CD2-SD 4.18Å; L143-I169 HydrophobicContact CD2-CB 3.82Å; L143-I169 HydrophobicContact CD2-CG2 3.77Å; L143-L170 HydrophobicContact CD1-CD1 4.29Å; L143-L170 HydrophobicContact CD2-CB 4.28Å
144L98.6Very high97.6Very high47 Ų4737.5 Ų37.525%0.24619%0.187CC..Hα-helixtrans-62.5-36.6-178.8-69.3177.9000112.3E140 E141 C142 T148 I169 H173E140-L144 HydrophobicContact CG-CD1 3.78Å; E140-L144 HydrophobicContact CG-CG 4.19Å; E140-L144 WeakPolarHBondContact O-CB 3.4Å; E140-L144 VanDerWaalsContact O-CG 3.24Å; E140-L144 WeakPolarHBondContact O-CG 3.4Å; E140-L144 PolarHBondContact O-N 2.86Å; E141-L144 PolarHBondContact O-N 3.41Å; C142-L144 PolarHBondContact O-N 3.36Å; L144-T148 PolarHBondContact O-N 3.32Å; L144-T148 PolarHBondContact O-OG1 2.93Å; L144-I169 HydrophobicContact CD2-CG2 3.77Å; L144-I169 HydrophobicContact CG-CG2 4.27Å; L144-H173 VanDerWaalsContact CD2-CE1 3.42Å; L144-H173 WeakPolarHBondContact CD2-CE1 3.45Å; L144-H173 WeakPolarHBondContact CD2-NE2 3.39Å
145K98.6Very high97.5Very high72 Ų7242.2 Ų42.231%0.31322%0.216SC..Hα-helixtrans-67.2-47.2175.2-67-74.7-176.6165.70111.7Y114 P117 E141 C142 L143 I147 T148 T149Y114-K145 HydrophobicContact CD2-CB 4.04Å; Y114-K145 HydrophobicContact CD2-CG 4.37Å; Y114-K145 VanDerWaalsContact O-CB 3.24Å; Y114-K145 WeakPolarHBondContact O-CB 3.35Å; P117-K145 HydrophobicContact CB-CB 4.33Å; P117-K145 HydrophobicContact CB-CD 4.39Å; P117-K145 VanDerWaalsContact CB-O 3.29Å; P117-K145 WeakPolarHBondContact CB-O 3.45Å; P117-K145 HydrophobicContact CG-CD 3.7Å; E141-K145 WeakPolarHBondContact O-CB 3.41Å; E141-K145 WeakPolarHBondContact O-CG 3.33Å; E141-K145 PolarHBondContact O-N 3.2Å; E141-K145 VanDerWaalsContact O-N 3.1Å; C142-K145 PolarHBondContact O-N 3.34Å; L143-K145 VanDerWaalsContact C-N 3.28Å; L143-K145 PolarHBondContact O-N 3.1Å; K145-I147 VanDerWaalsContact C-N 3.33Å; K145-I147 PolarHBondContact O-N 3.48Å; K145-T148 WeakPolarHBondContact O-CA 3.37Å; K145-T148 VanDerWaalsContact O-CB 3.28Å; K145-T148 WeakPolarHBondContact O-CB 3.48Å; K145-T148 PolarHBondContact O-N 3.41Å; K145-T149 PolarHBondContact O-N 2.79Å; K145-T149 PolarHBondContact O-OG1 3.39Å
146V98.7Very high97.3Very high0 Ų045.5 Ų45.50%023%0.231CC..Hα-helixtrans-64-37.5176.9178.10000111.4L73 A133 P135 C142 L143 T148 T149 A150 F160L73-V146 HydrophobicContact CD2-CG1 3.5Å; L73-V146 HydrophobicContact CG-CG1 4.07Å; A133-V146 HydrophobicContact CB-CG1 3.9Å; P135-V146 HydrophobicContact CB-CB 4.37Å; P135-V146 HydrophobicContact CB-CG1 4.47Å; P135-V146 HydrophobicContact CB-CG2 4.06Å; P135-V146 HydrophobicContact CG-CB 4.21Å; P135-V146 HydrophobicContact CG-CG1 4Å; P135-V146 HydrophobicContact CG-CG2 4.42Å; C142-V146 VanDerWaalsContact O-CG2 3.31Å; C142-V146 WeakPolarHBondContact O-CG2 3.16Å; C142-V146 PolarHBondContact O-N 3.43Å; L143-V146 PolarHBondContact O-N 3.42Å; V146-T148 VanDerWaalsContact C-N 3.3Å; V146-T148 PolarHBondContact O-N 2.99Å; V146-T149 PolarHBondContact O-N 2.91Å; V146-A150 PolarHBondContact O-N 3.36Å; V146-F160 HydrophobicContact CB-CE1 4.4Å; V146-F160 HydrophobicContact CG1-CE1 3.78Å; V146-F160 HydrophobicContact CG1-CZ 3.99Å
147I98.6Very high97.4Very high2 Ų246.8 Ų46.81%0.0123%0.232CC..Hα-helixtrans-59.7-41.1171.1-71.4167.5000111.2L143 K145 A150 K151 F160 L170 H173 L174L143-I147 HydrophobicContact CD1-CD1 4.31Å; L143-I147 HydrophobicContact CD2-CD1 4.38Å; L143-I147 HydrophobicContact CG-CD1 3.83Å; L143-I147 HydrophobicContact CG-CG1 4.46Å; L143-I147 WeakPolarHBondContact O-CB 3.4Å; L143-I147 VanDerWaalsContact O-CG1 3.24Å; L143-I147 WeakPolarHBondContact O-CG1 3.27Å; L143-I147 PolarHBondContact O-N 3.32Å; K145-I147 VanDerWaalsContact C-N 3.33Å; K145-I147 PolarHBondContact O-N 3.48Å; I147-A150 PolarHBondContact O-N 2.93Å; I147-K151 HydrophobicContact CG2-CD 4.27Å; I147-K151 WeakPolarHBondContact O-CG 3.26Å; I147-K151 PolarHBondContact O-N 3.2Å; I147-F160 HydrophobicContact CB-CZ 4.46Å; I147-F160 HydrophobicContact CG1-CE1 3.92Å; I147-F160 HydrophobicContact CG1-CZ 3.79Å; I147-L170 HydrophobicContact CD1-CD1 3.76Å; I147-L170 HydrophobicContact CG1-CD1 3.99Å; I147-H173 HydrophobicContact CD1-CB 4.08Å; I147-H173 HydrophobicContact CG2-CB 4.16Å; I147-L174 HydrophobicContact CG1-CD1 3.96Å; I147-L174 HydrophobicContact CG1-CG 4.49Å; I147-L174 HydrophobicContact CG2-CD1 4.08Å; I147-L174 HydrophobicContact CG2-CD2 4.15Å; I147-L174 HydrophobicContact CG2-CG 3.9Å
148T98.6Very high97.6Very high65 Ų6543.5 Ų43.540%0.39922%0.219SC..Hα-helixtrans-62.5-44.7177.9-58.40000110.7P117 V118 L144 K145 V146 K151 F152P117-T148 HydrophobicContact CB-CG2 4.31Å; P117-T148 HydrophobicContact CG-CG2 4.21Å; V118-T148 HydrophobicContact CG1-CG2 3.96Å; L144-T148 PolarHBondContact O-N 3.32Å; L144-T148 PolarHBondContact O-OG1 2.93Å; K145-T148 WeakPolarHBondContact O-CA 3.37Å; K145-T148 VanDerWaalsContact O-CB 3.28Å; K145-T148 WeakPolarHBondContact O-CB 3.48Å; K145-T148 PolarHBondContact O-N 3.41Å; V146-T148 VanDerWaalsContact C-N 3.3Å; V146-T148 PolarHBondContact O-N 2.99Å; T148-K151 PolarHBondContact O-N 2.8Å; T148-F152 PolarHBondContact O-N 3.23Å
149T98.7Very high97.7Very high0 Ų041 Ų410%021%0.205CC..Hα-helixtrans-62-45.7174.4-45.80000111.8L73 Y112 P117 L120 K145 V146 K151 F152 L153L73-T149 HydrophobicContact CD1-CG2 3.88Å; L73-T149 HydrophobicContact CD2-CG2 3.93Å; Y112-T149 HydrophobicContact CD2-CG2 4.17Å; Y112-T149 HydrophobicContact CE2-CG2 3.5Å; Y112-T149 VanDerWaalsContact CE2-CG2 3.5Å; Y112-T149 WeakPolarHBondContact CE2-OG1 3.5Å; Y112-T149 PolarHBondContact OH-OG1 2.98Å; P117-T149 WeakPolarHBondContact CA-OG1 3.18Å; P117-T149 WeakPolarHBondContact CB-OG1 3.46Å; P117-T149 WeakPolarHBondContact O-CB 3.46Å; P117-T149 WeakPolarHBondContact O-CG2 3.42Å; P117-T149 PolarHBondContact O-OG1 3.06Å; L120-T149 HydrophobicContact CD1-CG2 3.72Å; K145-T149 PolarHBondContact O-N 2.79Å; K145-T149 PolarHBondContact O-OG1 3.39Å; V146-T149 PolarHBondContact O-N 2.91Å; T149-K151 VanDerWaalsContact C-N 3.31Å; T149-K151 PolarHBondContact O-N 2.88Å; T149-F152 WeakPolarHBondContact O-CA 3.34Å; T149-F152 VanDerWaalsContact O-CB 3.31Å; T149-F152 WeakPolarHBondContact O-CB 3.42Å; T149-F152 PolarHBondContact O-N 2.79Å; T149-L153 HydrophobicContact CG2-CD1 4.13Å; T149-L153 HydrophobicContact CG2-CG 4.38Å; T149-L153 WeakPolarHBondContact O-CG 3.48Å; T149-L153 PolarHBondContact O-N 2.87Å
150A98.6Very high97.8Very high0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-58.6-43.1178.700000111.7V131 V146 I147 F152 L153 T154 I158 F160V131-A150 HydrophobicContact CG1-CB 4.09Å; V146-A150 PolarHBondContact O-N 3.36Å; I147-A150 PolarHBondContact O-N 2.93Å; A150-F152 VanDerWaalsContact C-N 3.28Å; A150-F152 PolarHBondContact O-N 3.13Å; A150-L153 PolarHBondContact O-N 3.08Å; A150-T154 WeakPolarHBondContact O-CG2 3.24Å; A150-T154 PolarHBondContact O-N 3.36Å; A150-I158 HydrophobicContact CB-CD1 4.41Å; A150-F160 HydrophobicContact CB-CE2 3.81Å; A150-F160 HydrophobicContact CB-CZ 3.94Å
151K98.1Very high97.9Very high105 Ų10533.6 Ų33.646%0.45717%0.166SC..Hα-helixtrans-66.5-27174.3-71.8178.3178.2179.60113.7I147 T148 T149 H173 L174I147-K151 HydrophobicContact CG2-CD 4.27Å; I147-K151 WeakPolarHBondContact O-CG 3.26Å; I147-K151 PolarHBondContact O-N 3.2Å; T148-K151 PolarHBondContact O-N 2.8Å; T149-K151 VanDerWaalsContact C-N 3.31Å; T149-K151 PolarHBondContact O-N 2.88Å; K151-H173 WeakPolarHBondContact CE-O 3.02Å; K151-H173 PolarHBondContact NZ-O 2.86Å; K151-L174 HydrophobicContact CD-CD2 4.34Å; K151-L174 HydrophobicContact CG-CD2 4.07Å
152F98.2Very high97.8Very high34 Ų3427.8 Ų27.815%0.14914%0.139CC..Hα-helixtrans-70.8-43172.4174.8-88.7000110.7V118 L120 K125 A126 T148 T149 A150V118-F152 HydrophobicContact CB-CD2 4.29Å; V118-F152 HydrophobicContact CG1-CB 4.06Å; V118-F152 HydrophobicContact CG1-CD2 4.07Å; V118-F152 HydrophobicContact CG1-CG 4.24Å; L120-F152 HydrophobicContact CB-CE1 3.88Å; L120-F152 HydrophobicContact CB-CZ 4.39Å; L120-F152 HydrophobicContact CD1-CD1 4.28Å; L120-F152 HydrophobicContact CD1-CE1 4.39Å; K125-F152 CarbonylContact C-O 3.54Å; K125-F152 VanDerWaalsContact CA-O 3.32Å; K125-F152 WeakPolarHBondContact CA-O 3.37Å; K125-F152 HydrophobicContact CB-CD2 4.47Å; K125-F152 HydrophobicContact CB-CE1 4.16Å; K125-F152 HydrophobicContact CB-CE2 3.91Å; K125-F152 HydrophobicContact CB-CZ 3.74Å; K125-F152 HydrophobicContact CD-CE2 4.11Å; K125-F152 HydrophobicContact CG-CD2 4.14Å; K125-F152 HydrophobicContact CG-CE2 3.93Å; K125-F152 HydrophobicContact CG-CZ 4.27Å; A126-F152 PolarHBondContact N-O 2.86Å; T148-F152 PolarHBondContact O-N 3.23Å; T149-F152 WeakPolarHBondContact O-CA 3.34Å; T149-F152 VanDerWaalsContact O-CB 3.31Å; T149-F152 WeakPolarHBondContact O-CB 3.42Å; T149-F152 PolarHBondContact O-N 2.79Å; A150-F152 VanDerWaalsContact C-N 3.28Å; A150-F152 PolarHBondContact O-N 3.13Å
153L97.8Very high97.7Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-74.7-33.1-175.6-67.9176.4000113.9F96 L120 Y124 A126 S127 C128 V131 T149 A150F96-L153 HydrophobicContact CD2-CD1 4.09Å; F96-L153 HydrophobicContact CE1-CD1 4.48Å; F96-L153 HydrophobicContact CE1-CD2 3.81Å; F96-L153 HydrophobicContact CE2-CD1 3.98Å; F96-L153 HydrophobicContact CE2-CD2 4.14Å; F96-L153 HydrophobicContact CG-CD1 4.39Å; F96-L153 HydrophobicContact CZ-CD1 4.18Å; F96-L153 HydrophobicContact CZ-CD2 3.55Å; L120-L153 HydrophobicContact CD1-CD2 4.18Å; Y124-L153 WeakPolarHBondContact O-CA 3.34Å; A126-L153 CarbonylContact C-O 3.53Å; A126-L153 VanDerWaalsContact CA-O 3.31Å; A126-L153 WeakPolarHBondContact CA-O 3.2Å; A126-L153 PolarHBondContact N-O 2.65Å; S127-L153 PolarHBondContact N-O 3.19Å; C128-L153 WeakPolarHBondContact CB-O 3.4Å; C128-L153 PolarHBondContact N-O 3.33Å; V131-L153 HydrophobicContact CG1-CD1 4.46Å; V131-L153 HydrophobicContact CG2-CB 3.68Å; V131-L153 HydrophobicContact CG2-CD1 4.35Å; T149-L153 HydrophobicContact CG2-CD1 4.13Å; T149-L153 HydrophobicContact CG2-CG 4.38Å; T149-L153 WeakPolarHBondContact O-CG 3.48Å; T149-L153 PolarHBondContact O-N 2.87Å; A150-L153 PolarHBondContact O-N 3.08Å
154T96.7Very high97.7Very high3 Ų329.7 Ų29.72%0.01815%0.151CC..  trans-143.4150-177.6-169.30000113.2C128 V131 A150 E156 I158C128-T154 WeakPolarHBondContact O-CB 3.46Å; C128-T154 PolarHBondContact O-OG1 3.09Å; V131-T154 HydrophobicContact CB-CG2 3.92Å; V131-T154 HydrophobicContact CG2-CG2 3.5Å; A150-T154 WeakPolarHBondContact O-CG2 3.24Å; A150-T154 PolarHBondContact O-N 3.36Å; T154-E156 PolarHBondContact OG1-N 3.35Å; T154-I158 HydrophobicContact CG2-CD1 3.92Å; T154-I158 HydrophobicContact CG2-CG1 3.45Å; T154-I158 VanDerWaalsContact CG2-CG1 3.45Å
155T95.5Very high97.6Very high117 Ų11731.2 Ų31.272%0.71817%0.165SC*.SBendtrans-106.66.4166.456.70000112.3A126A126-T155 HydrophobicContact CB-CG2 4.04Å
156E93.6Very high97.5Very high75 Ų7528.7 Ų28.735%0.3516%0.155SC..SBendtrans-117.9-107-168.2-59.4-172.8-176.400111.8K65 T154 N198K65-E156 WeakPolarHBondContact CE-OE2 3.48Å; K65-E156 IonicContact NZ-OE1 2.63Å; K65-E156 PolarHBondContact NZ-OE1 3Å; K65-E156 IonicContact NZ-OE2 2.61Å; K65-E156 PolarHBondContact NZ-OE2 3.19Å; T154-E156 PolarHBondContact OG1-N 3.35Å; E156-N198 PolarHBondContact O-ND2 2.79Å
157R96.6Very high97.5Very high54 Ų5430.8 Ų30.820%0.20416%0.164CC..EExtended strand (participates in β ladder)trans-93.7131.4-169.9-60.4-177.9-173.6112.3-17110.5A61 S64 S129 V130 V131 N198 Y199A61-R157 VanDerWaalsContact O-CZ 3.29Å; A61-R157 PolarHBondContact O-NH1 3.02Å; S64-R157 PolarHBondContact OG-NH2 3.46Å; S129-R157 WeakPolarHBondContact O-CB 3.32Å; V130-R157 CarbonylContact C-O 3.48Å; V130-R157 VanDerWaalsContact CA-O 3.32Å; V130-R157 WeakPolarHBondContact CA-O 3.43Å; V130-R157 HydrophobicContact CB-CB 4.09Å; V130-R157 HydrophobicContact CG2-CB 4.01Å; V131-R157 PolarHBondContact N-O 3.38Å; R157-N198 WeakPolarHBondContact CA-OD1 3.26Å; R157-Y199 HydrophobicContact CB-CD1 3.56Å; R157-Y199 HydrophobicContact CB-CE1 3.65Å; R157-Y199 HydrophobicContact CB-CG 4.17Å; R157-Y199 HydrophobicContact CG-CD1 3.77Å; R157-Y199 HydrophobicContact CG-CD2 4.27Å; R157-Y199 HydrophobicContact CG-CE1 4.17Å; R157-Y199 HydrophobicContact CG-CG 3.83Å
158I98.3Very high97.4Very high7 Ų739.1 Ų39.14%0.03620%0.2CC..EExtended strand (participates in β ladder)trans-132.7131.9-179-68.1175.7000108.2V131 A150 T154 F160 L174 A197 N198V131-I158 CarbonylContact O-C 3.54Å; V131-I158 WeakPolarHBondContact O-CA 3.35Å; A150-I158 HydrophobicContact CB-CD1 4.41Å; T154-I158 HydrophobicContact CG2-CD1 3.92Å; T154-I158 HydrophobicContact CG2-CG1 3.45Å; T154-I158 VanDerWaalsContact CG2-CG1 3.45Å; I158-F160 HydrophobicContact CG2-CD2 3.39Å; I158-F160 HydrophobicContact CG2-CE2 3.46Å; I158-F160 VanDerWaalsContact CG2-CE2 3.46Å; I158-L174 HydrophobicContact CD1-CD2 3.95Å; I158-L174 HydrophobicContact CG2-CD1 4.06Å; I158-A197 VanDerWaalsContact O-CA 3.31Å; I158-A197 WeakPolarHBondContact O-CA 3.06Å; I158-N198 PolarHBondContact N-OD1 3.25Å; I158-N198 PolarHBondContact O-N 2.93Å; I158-N198 VanDerWaalsContact O-N 3.15Å; I158-N198 PolarHBondContact O-OD1 3.17Å
159I98.6Very high97.4Very high0 Ų037.4 Ų37.40%019%0.188CC..EExtended strand (participates in β ladder)trans-119131.1169.1-50.3171.8000107.5E57 V130 V131 I132 A133 Y196 A197 Y199 L204E57-I159 HydrophobicContact CB-CD1 4.44Å; E57-I159 HydrophobicContact CG-CD1 3.73Å; V130-I159 HydrophobicContact CG2-CD1 4.26Å; V130-I159 HydrophobicContact CG2-CG1 4.38Å; V131-I159 PolarHBondContact O-N 3.02Å; I132-I159 CarbonylContact C-O 3.5Å; I132-I159 WeakPolarHBondContact CA-O 3.3Å; I132-I159 HydrophobicContact CB-CB 4.2Å; I132-I159 HydrophobicContact CD1-CB 4.37Å; I132-I159 HydrophobicContact CD1-CD1 4.48Å; I132-I159 HydrophobicContact CD1-CG2 4.11Å; I132-I159 HydrophobicContact CG1-CB 4.09Å; I132-I159 HydrophobicContact CG1-CG2 4.2Å; A133-I159 PolarHBondContact N-O 3.24Å; I159-Y196 CarbonylContact C-O 3.55Å; I159-Y196 VanDerWaalsContact CA-O 3.27Å; I159-Y196 WeakPolarHBondContact CA-O 3.43Å; I159-A197 HydrophobicContact CG1-CB 4.5Å; I159-Y199 HydrophobicContact CD1-CE1 4.45Å; I159-Y199 WeakPolarHBondContact CD1-OH 3.39Å; I159-Y199 HydrophobicContact CG1-CE1 3.89Å; I159-L204 HydrophobicContact CD1-CD1 4.34Å; I159-L204 HydrophobicContact CG2-CD1 3.99Å
160F98.6Very high97.4Very high0 Ų037.4 Ų37.40%019%0.188CC..EExtended strand (participates in β ladder)trans-119.7129.6169.7-92.6-108.5000109.2A133 P135 L143 V146 I147 A150 I158 L170 L174 C195 Y196A133-F160 HydrophobicContact CB-CD1 3.99Å; A133-F160 HydrophobicContact CB-CD2 4.09Å; A133-F160 HydrophobicContact CB-CE1 3.75Å; A133-F160 HydrophobicContact CB-CE2 3.85Å; A133-F160 HydrophobicContact CB-CG 4.16Å; A133-F160 HydrophobicContact CB-CZ 3.67Å; A133-F160 WeakPolarHBondContact O-CA 3.49Å; P135-F160 HydrophobicContact CG-CD1 4.07Å; P135-F160 HydrophobicContact CG-CE1 4.01Å; L143-F160 HydrophobicContact CD1-CD1 4.23Å; L143-F160 HydrophobicContact CD1-CE1 4.26Å; V146-F160 HydrophobicContact CB-CE1 4.4Å; V146-F160 HydrophobicContact CG1-CE1 3.78Å; V146-F160 HydrophobicContact CG1-CZ 3.99Å; I147-F160 HydrophobicContact CB-CZ 4.46Å; I147-F160 HydrophobicContact CG1-CE1 3.92Å; I147-F160 HydrophobicContact CG1-CZ 3.79Å; A150-F160 HydrophobicContact CB-CE2 3.81Å; A150-F160 HydrophobicContact CB-CZ 3.94Å; I158-F160 HydrophobicContact CG2-CD2 3.39Å; I158-F160 HydrophobicContact CG2-CE2 3.46Å; I158-F160 VanDerWaalsContact CG2-CE2 3.46Å; F160-L170 HydrophobicContact CB-CD1 4.1Å; F160-L170 HydrophobicContact CB-CD2 3.75Å; F160-L170 HydrophobicContact CD1-CD1 3.75Å; F160-L170 HydrophobicContact CD2-CD1 4.18Å; F160-L170 HydrophobicContact CE1-CD1 4.2Å; F160-L170 HydrophobicContact CG-CD1 3.73Å; F160-L170 HydrophobicContact CG-CD2 4.31Å; F160-L174 HydrophobicContact CD2-CD1 3.98Å; F160-L174 HydrophobicContact CE2-CD1 3.67Å; F160-L174 HydrophobicContact CZ-CD1 4.26Å; F160-C195 CarbonylContact O-C 3.57Å; F160-C195 WeakPolarHBondContact O-CA 3.32Å; F160-Y196 PolarHBondContact N-O 2.93Å; F160-Y196 WeakPolarHBondContact O-CD2 3.3Å; F160-Y196 PolarHBondContact O-N 3.19Å
161C98.1Very high97.4Very high0 Ų040.2 Ų40.20%021%0.206CC..EExtended strand (participates in β ladder)trans-103.5120.6164.4-59.50000106.9Y46 A133 P135 R194 C195Y46-C161 WeakPolarHBondContact OH-CB 3.49Å; A133-C161 PolarHBondContact O-N 2.92Å; P135-C161 WeakPolarHBondContact CD-O 3.45Å; C161-R194 WeakPolarHBondContact CA-O 3.29Å; C161-C195 PolarHBondContact SG-SG 2.89Å
162T97.4Very high97.4Very high1 Ų139.1 Ų39.11%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-159.5173.4-179.8-164.50000111.1M166 L170 F193 R194 Y196T162-M166 HydrophobicContact CG2-CB 3.88Å; T162-L170 HydrophobicContact CG2-CD2 4.07Å; T162-F193 VanDerWaalsContact C-CD1 3.41Å; T162-F193 WeakPolarHBondContact O-CA 3.37Å; T162-R194 PolarHBondContact N-O 2.84Å; T162-R194 VanDerWaalsContact N-O 3.09Å; T162-R194 PolarHBondContact O-N 3.38Å; T162-Y196 HydrophobicContact CG2-CD2 4.17Å; T162-Y196 HydrophobicContact CG2-CE2 3.86Å
163G95.8Very high97.4Very high0 Ų041.4 Ų41.40%022%0.222CC..EExtended strand (participates in β ladder)trans-67.8144.1177.800000112.1S165 M166 E192G163-S165 PolarHBondContact O-N 3.46Å; G163-S165 VanDerWaalsContact O-N 3.08Å; G163-M166 WeakPolarHBondContact O-CB 3.32Å; G163-M166 PolarHBondContact O-N 3.33Å; G163-E192 CarbonylContact C-O 3.53Å; G163-E192 VanDerWaalsContact CA-O 3.28Å; G163-E192 WeakPolarHBondContact CA-O 3.19Å
164V97Very high97.3Very high42 Ų4242.1 Ų42.126%0.25523%0.226SC..G310 helixtrans-55.9-30.5179.3174.10000112.3M166 E167 E192 R194V164-M166 PolarHBondContact O-N 3.25Å; V164-E167 VanDerWaalsContact O-CB 3.27Å; V164-E167 WeakPolarHBondContact O-CB 3.48Å; V164-E167 PolarHBondContact O-N 3.05Å; V164-E192 HydrophobicContact CG2-CB 4.05Å; V164-E192 HydrophobicContact CG2-CG 3.74Å; V164-E192 PolarHBondContact N-O 2.59Å; V164-R194 HydrophobicContact CG2-CB 4.41Å; V164-R194 HydrophobicContact CG2-CG 3.71Å
165S96.5Very high97.3Very high79 Ų7951.2 Ų51.255%0.55227%0.266SS*.G310 helixtrans-59.7-24.7175.256.10000113.7G163G163-S165 PolarHBondContact O-N 3.46Å; G163-S165 VanDerWaalsContact O-N 3.08Å
166M97.5Very high97.4Very high19 Ų1946.1 Ų46.19%0.09423%0.234CC..G310 helixtrans-87.4-10.2-178.7-65.8-57.898.200113.5L138 L143 T162 G163 V164 K168 I169 L170L138-M166 HydrophobicContact CD2-CG 4.12Å; L143-M166 HydrophobicContact CD2-CB 3.81Å; L143-M166 HydrophobicContact CD2-CG 4.31Å; L143-M166 HydrophobicContact CD2-SD 4.18Å; T162-M166 HydrophobicContact CG2-CB 3.88Å; G163-M166 WeakPolarHBondContact O-CB 3.32Å; G163-M166 PolarHBondContact O-N 3.33Å; V164-M166 PolarHBondContact O-N 3.25Å; M166-K168 PolarHBondContact O-N 2.61Å; M166-I169 PolarHBondContact O-N 3.12Å; M166-I169 VanDerWaalsContact O-N 3.13Å; M166-L170 PolarHBondContact O-N 2.64Å
167E97.9Very high97.6Very high44 Ų4449.9 Ų49.921%0.20625%0.252CS..Hα-helixtrans-55.4-45.5-170.6-179.1164.7140.600114.1V164 I169 L170 T171 R178 Y196V164-E167 VanDerWaalsContact O-CB 3.27Å; V164-E167 WeakPolarHBondContact O-CB 3.48Å; V164-E167 PolarHBondContact O-N 3.05Å; E167-I169 VanDerWaalsContact C-N 3.3Å; E167-I169 PolarHBondContact O-N 3.37Å; E167-L170 PolarHBondContact O-N 3.44Å; E167-T171 HydrophobicContact CG-CG2 4.09Å; E167-T171 WeakPolarHBondContact O-CB 3.43Å; E167-T171 VanDerWaalsContact O-CG2 3.32Å; E167-T171 WeakPolarHBondContact O-CG2 3.39Å; E167-T171 PolarHBondContact O-N 3.42Å; E167-T171 PolarHBondContact O-OG1 2.69Å; E167-R178 IonicContact OE1-CZ 3.99Å; E167-R178 IonicContact OE1-NE 3.48Å; E167-R178 IonicContact OE1-NH2 3.12Å; E167-R178 PolarHBondContact OE1-NH2 3.13Å; E167-R178 IonicContact OE2-CZ 2.83Å; E167-R178 IonicContact OE2-NE 2.88Å; E167-R178 PolarHBondContact OE2-NE 2.69Å; E167-R178 IonicContact OE2-NH2 2.65Å; E167-R178 PolarHBondContact OE2-NH2 3.25Å; E167-Y196 HydrophobicContact CB-CE1 4.13Å; E167-Y196 WeakPolarHBondContact CB-OH 3.47Å; E167-Y196 HydrophobicContact CG-CE1 3.57Å; E167-Y196 WeakPolarHBondContact OE2-CE1 3.39Å; E167-Y196 PolarHBondContact OE2-OH 2.74Å
168K98Very high97.7Very high176 Ų17653.2 Ų53.277%0.76526%0.264SS*.Hα-helixtrans-61.9-40.2-178.2-173.3-178.9178.5-175.20111.7M166 T171 S172M166-K168 PolarHBondContact O-N 2.61Å; K168-T171 PolarHBondContact O-OG1 2.98Å; K168-S172 WeakPolarHBondContact O-CB 3.24Å; K168-S172 PolarHBondContact O-N 3.12Å; K168-S172 PolarHBondContact O-OG 3.09Å; K168-S172 VanDerWaalsContact O-OG 3.06Å
169I98.3Very high97.7Very high29 Ų2953.1 Ų53.115%0.14926%0.264CS..Hα-helixtrans-72.1-44.2178.7-59.2162.6000109.3E140 L143 L144 M166 E167 S172 H173E140-I169 HydrophobicContact CB-CD1 3.81Å; E140-I169 HydrophobicContact CG-CD1 3.8Å; E140-I169 HydrophobicContact CG-CG2 4.32Å; L143-I169 HydrophobicContact CD2-CB 3.82Å; L143-I169 HydrophobicContact CD2-CG2 3.77Å; L144-I169 HydrophobicContact CD2-CG2 3.77Å; L144-I169 HydrophobicContact CG-CG2 4.27Å; M166-I169 PolarHBondContact O-N 3.12Å; M166-I169 VanDerWaalsContact O-N 3.13Å; E167-I169 VanDerWaalsContact C-N 3.3Å; E167-I169 PolarHBondContact O-N 3.37Å; I169-S172 PolarHBondContact O-N 2.96Å; I169-S172 PolarHBondContact O-OG 2.78Å; I169-H173 PolarHBondContact O-N 3.39Å; I169-H173 PolarHBondContact O-ND1 3.09Å
170L98.5Very high97.5Very high0 Ų060.3 Ų60.30%029%0.291CS..Hα-helixtrans-58.9-52178.8-177.764.2000111.9L143 I147 F160 T162 M166 E167 S172 H173 L174 V176 Y196L143-L170 HydrophobicContact CD1-CD1 4.29Å; L143-L170 HydrophobicContact CD2-CB 4.28Å; I147-L170 HydrophobicContact CD1-CD1 3.76Å; I147-L170 HydrophobicContact CG1-CD1 3.99Å; F160-L170 HydrophobicContact CB-CD1 4.1Å; F160-L170 HydrophobicContact CB-CD2 3.75Å; F160-L170 HydrophobicContact CD1-CD1 3.75Å; F160-L170 HydrophobicContact CD2-CD1 4.18Å; F160-L170 HydrophobicContact CE1-CD1 4.2Å; F160-L170 HydrophobicContact CG-CD1 3.73Å; F160-L170 HydrophobicContact CG-CD2 4.31Å; T162-L170 HydrophobicContact CG2-CD2 4.07Å; M166-L170 PolarHBondContact O-N 2.64Å; E167-L170 PolarHBondContact O-N 3.44Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 2.88Å; L170-H173 PolarHBondContact O-N 2.85Å; L170-H173 VanDerWaalsContact O-N 3.13Å; L170-L174 HydrophobicContact CD1-CD1 3.84Å; L170-L174 PolarHBondContact O-N 2.88Å; L170-V176 HydrophobicContact CD2-CG2 4.03Å; L170-V176 HydrophobicContact CG-CG2 3.78Å; L170-Y196 HydrophobicContact CD2-CD1 4.26Å; L170-Y196 HydrophobicContact CD2-CD2 3.49Å; L170-Y196 VanDerWaalsContact CD2-CD2 3.49Å; L170-Y196 HydrophobicContact CD2-CE2 4.16Å; L170-Y196 HydrophobicContact CD2-CG 3.56Å
171T97.8Very high97.4Very high59 Ų5961.6 Ų61.636%0.36230%0.297SS..Hα-helixtrans-69-22.4-178.354.30000113.9E167 K168 H173 L174 V176E167-T171 HydrophobicContact CG-CG2 4.09Å; E167-T171 WeakPolarHBondContact O-CB 3.43Å; E167-T171 VanDerWaalsContact O-CG2 3.32Å; E167-T171 WeakPolarHBondContact O-CG2 3.39Å; E167-T171 PolarHBondContact O-N 3.42Å; E167-T171 PolarHBondContact O-OG1 2.69Å; K168-T171 PolarHBondContact O-OG1 2.98Å; T171-H173 VanDerWaalsContact C-N 3.34Å; T171-L174 CarbonylContact C-O 3.48Å; T171-L174 VanDerWaalsContact O-O 3.08Å; T171-V176 HydrophobicContact CG2-CG2 4.26Å
172S97.8Very high97.2Very high83 Ų8366 Ų6658%0.5832%0.32SS*.Hα-helixtrans-76.6-21.1172.459.40000113.4K168 I169 L170K168-S172 WeakPolarHBondContact O-CB 3.24Å; K168-S172 PolarHBondContact O-N 3.12Å; K168-S172 PolarHBondContact O-OG 3.09Å; K168-S172 VanDerWaalsContact O-OG 3.06Å; I169-S172 PolarHBondContact O-N 2.96Å; I169-S172 PolarHBondContact O-OG 2.78Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 2.88Å
173H98.2Very high97.2Very high81 Ų8166.5 Ų66.538%0.37532%0.323SS..Hα-helixtrans-107.2-23.4-176.8-70.979.2000113.8L144 I147 K151 I169 L170 T171L144-H173 VanDerWaalsContact CD2-CE1 3.42Å; L144-H173 WeakPolarHBondContact CD2-CE1 3.45Å; L144-H173 WeakPolarHBondContact CD2-NE2 3.39Å; I147-H173 HydrophobicContact CD1-CB 4.08Å; I147-H173 HydrophobicContact CG2-CB 4.16Å; K151-H173 WeakPolarHBondContact CE-O 3.02Å; K151-H173 PolarHBondContact NZ-O 2.86Å; I169-H173 PolarHBondContact O-N 3.39Å; I169-H173 PolarHBondContact O-ND1 3.09Å; L170-H173 PolarHBondContact O-N 2.85Å; L170-H173 VanDerWaalsContact O-N 3.13Å; T171-H173 VanDerWaalsContact C-N 3.34Å
174L97.3Very high97.1Very high15 Ų1571.6 Ų71.68%0.07935%0.347CS..SBendtrans-130.4144.5179.4-67.6175.9000110.1I147 K151 I158 F160 L170 T171 V176I147-L174 HydrophobicContact CG1-CD1 3.96Å; I147-L174 HydrophobicContact CG1-CG 4.49Å; I147-L174 HydrophobicContact CG2-CD1 4.08Å; I147-L174 HydrophobicContact CG2-CD2 4.15Å; I147-L174 HydrophobicContact CG2-CG 3.9Å; K151-L174 HydrophobicContact CD-CD2 4.34Å; K151-L174 HydrophobicContact CG-CD2 4.07Å; I158-L174 HydrophobicContact CD1-CD2 3.95Å; I158-L174 HydrophobicContact CG2-CD1 4.06Å; F160-L174 HydrophobicContact CD2-CD1 3.98Å; F160-L174 HydrophobicContact CE2-CD1 3.67Å; F160-L174 HydrophobicContact CZ-CD1 4.26Å; L170-L174 HydrophobicContact CD1-CD1 3.84Å; L170-L174 PolarHBondContact O-N 2.88Å; T171-L174 CarbonylContact C-O 3.48Å; T171-L174 VanDerWaalsContact O-O 3.08Å; L174-V176 HydrophobicContact CB-CG1 3.92Å; L174-V176 HydrophobicContact CB-CG2 4.16Å; L174-V176 HydrophobicContact CD1-CG1 4.44Å; L174-V176 PolarHBondContact O-N 3.26Å
175K96.7Very high97Very high195 Ų19570.9 Ų70.985%0.84834%0.341SS*.  trans-77.445.3174.6-62.5-176.6178.9-179.30111.8N198K175-N198 WeakPolarHBondContact O-CA 3.12Å; K175-N198 VanDerWaalsContact O-CB 3.24Å; K175-N198 WeakPolarHBondContact O-CB 3.29Å
176V98Very high96.7Very high9 Ų973.3 Ų73.36%0.05534%0.343CS..  trans-90.3152.1178.6-64.20000110.8L170 T171 L174 A197 N198L170-V176 HydrophobicContact CD2-CG2 4.03Å; L170-V176 HydrophobicContact CG-CG2 3.78Å; T171-V176 HydrophobicContact CG2-CG2 4.26Å; L174-V176 HydrophobicContact CB-CG1 3.92Å; L174-V176 HydrophobicContact CB-CG2 4.16Å; L174-V176 HydrophobicContact CD1-CG1 4.44Å; L174-V176 PolarHBondContact O-N 3.26Å; V176-A197 CarbonylContact C-O 3.28Å; V176-A197 VanDerWaalsContact CA-O 3.26Å; V176-A197 WeakPolarHBondContact CA-O 3.46Å; V176-N198 HydrophobicContact CG1-CB 3.83Å
177Q97.4Very high96.3Very high155 Ų15577.8 Ų77.872%0.72436%0.359SS*.EExtended strand (participates in β ladder)trans-121.7147.4172.7-63.4-174.2-34.800109C179 Y196 A197Q177-C179 PolarHBondContact O-N 2.95Å; Q177-Y196 CarbonylContact O-C 3.59Å; Q177-Y196 WeakPolarHBondContact O-CA 3.4Å; Q177-A197 PolarHBondContact N-O 3.24Å; Q177-A197 PolarHBondContact O-N 2.85Å
178R97.8Very high95.7Very high124 Ų12485.9 Ų85.947%0.46839%0.394SS..EExtended strand (participates in β ladder)trans-65.7126.4176.5-169.6-166.6-69.7160.3-5.4109.3E167 R194 Y196E167-R178 IonicContact OE1-CZ 3.99Å; E167-R178 IonicContact OE1-NE 3.48Å; E167-R178 IonicContact OE1-NH2 3.12Å; E167-R178 PolarHBondContact OE1-NH2 3.13Å; E167-R178 IonicContact OE2-CZ 2.83Å; E167-R178 IonicContact OE2-NE 2.88Å; E167-R178 PolarHBondContact OE2-NE 2.69Å; E167-R178 IonicContact OE2-NH2 2.65Å; E167-R178 PolarHBondContact OE2-NH2 3.25Å; R178-R194 HydrophobicContact CG-CB 4.17Å; R178-R194 HydrophobicContact CG-CG 4.21Å; R178-Y196 HydrophobicContact CB-CD1 3.86Å; R178-Y196 HydrophobicContact CB-CE1 3.71Å; R178-Y196 HydrophobicContact CG-CD1 4.2Å; R178-Y196 HydrophobicContact CG-CE1 3.77Å
179C97.6Very high95.2Very high5 Ų579.5 Ų79.53%0.03437%0.368CS..  trans-77.7159.9173-56.70000110.9Q177 C195 L204 D205Q177-C179 PolarHBondContact O-N 2.95Å; C179-C195 HydrophobicContact CB-CB 4.1Å; C179-C195 PolarHBondContact N-O 3.15Å; C179-L204 HydrophobicContact CB-CB 3.81Å; C179-D205 WeakPolarHBondContact CA-OD1 3.48Å
180R95.6Very high94.6Very high151 Ų15183.2 Ų83.257%0.5740%0.403SS*.SBendtrans-71.1-32.5175.2-67.8177.2167.5165-13.8112.8L204 D205 E207R180-L204 PolarHBondContact N-O 3.18Å; R180-D205 PolarHBondContact N-OD1 2.83Å; R180-D205 PolarHBondContact NH1-O 2.92Å; R180-E207 IonicContact CZ-OE1 3.29Å; R180-E207 IonicContact NH1-OE1 2.78Å; R180-E207 PolarHBondContact NH1-OE1 3.16Å; R180-E207 IonicContact NH2-OE1 2.66Å; R180-E207 PolarHBondContact NH2-OE1 3.27Å; R180-E207 VanDerWaalsContact NH2-OE1 3.14Å
181F95.7Very high94.2Very high27 Ų2787.7 Ų87.712%0.11843%0.427CS..  trans-58.3136.4-178177.9-103.8000113.2T50 R53 P183 L204T50-F181 HydrophobicContact CG2-CE1 3.95Å; T50-F181 HydrophobicContact CG2-CZ 4.01Å; R53-F181 HydrophobicContact CB-CE2 4Å; R53-F181 HydrophobicContact CB-CZ 4.02Å; R53-F181 HydrophobicContact CG-CD2 4.03Å; R53-F181 HydrophobicContact CG-CE2 3.93Å; R53-F181 HydrophobicContact CG-CZ 4.35Å; F181-P183 HydrophobicContact CE1-CB 4.06Å; F181-P183 WeakPolarHBondContact O-CD 3.34Å; F181-L204 HydrophobicContact CB-CB 4.04Å; F181-L204 HydrophobicContact CB-CD2 4.23Å; F181-L204 WeakPolarHBondContact CB-O 3.35Å; F181-L204 HydrophobicContact CD1-CD2 3.85Å; F181-L204 HydrophobicContact CG-CD2 4.07Å; F181-L204 PolarHBondContact N-O 2.64Å
182L95.3Very high94Very high91 Ų9190 Ų9048%0.47643%0.433SS..  trans-106.597.9-177.8-63.3179.7000110.3R194L182-R194 VanDerWaalsContact CD2-NH1 3.34Å
183P95.7Very high93.9Very high12 Ų1287.2 Ų87.28%0.07841%0.411CS..  trans-66.7138.7-179.428.3-35000111.5Y46 T50 F181 F193Y46-P183 HydrophobicContact CD1-CB 4.38Å; Y46-P183 HydrophobicContact CE1-CB 3.92Å; T50-P183 HydrophobicContact CG2-CB 3.73Å; F181-P183 HydrophobicContact CE1-CB 4.06Å; F181-P183 WeakPolarHBondContact O-CD 3.34Å; P183-F193 HydrophobicContact CG-CB 3.93Å
184Q95Very high93.8Very high107 Ų10785.5 Ų85.550%0.540%0.401SS..  trans-125.6148.7179.6-66.5-176.4-800111.2Y46 N47 T50Y46-Q184 WeakPolarHBondContact CA-O 3.2Å; Y46-Q184 WeakPolarHBondContact CD1-O 3.41Å; N47-Q184 PolarHBondContact N-O 3.27Å; N47-Q184 WeakPolarHBondContact ND2-CB 3.39Å; N47-Q184 PolarHBondContact ND2-OE1 3.02Å; N47-Q184 VanDerWaalsContact ND2-OE1 3.15Å; T50-Q184 WeakPolarHBondContact CB-O 3.19Å; T50-Q184 PolarHBondContact OG1-N 3.29Å; T50-Q184 PolarHBondContact OG1-O 3.17Å
185H94.3Very high93.9Very high28 Ų2884.8 Ų84.813%0.1340%0.397CS..BIsolated β-bridgetrans-110.8155.4-179.6-59.880.1000110.2W45 Y46 R187 L189 F193W45-H185 CarbonylContact O-C 3.54Å; W45-H185 VanDerWaalsContact O-CA 3.3Å; W45-H185 WeakPolarHBondContact O-CA 3.46Å; W45-H185 WeakPolarHBondContact O-CB 3.37Å; Y46-H185 AromaticContact CD1-CD2 3.85Å; Y46-H185 AromaticContact CD1-NE2 3.72Å; Y46-H185 AromaticContact CE1-CD2 3.95Å; Y46-H185 AromaticContact CE1-CE1 3.6Å; Y46-H185 AromaticContact CE1-NE2 3.32Å; Y46-H185 VanDerWaalsContact CE1-NE2 3.32Å; Y46-H185 WeakPolarHBondContact CE1-NE2 3.49Å; Y46-H185 AromaticContact CZ-NE2 3.99Å; H185-R187 WeakPolarHBondContact CB-O 3.47Å; H185-R187 PolarHBondContact O-N 3.39Å; H185-L189 HydrophobicContact CB-CD1 4.36Å; H185-L189 HydrophobicContact CB-CG 4.36Å; H185-F193 AromaticContact CE1-CG 3.9Å
186H91.4Very high94Very high130 Ų13075.5 Ų75.560%0.60236%0.357SS*.SBendtrans-57.5-34.6173.3-78.7-67.1000112W45 Y46W45-H186 PolarHBondContact O-N 3.39Å; Y46-H186 PolarHBondContact O-CD2 3.02Å; Y46-H186 PolarHBondContact O-NE2 3.31Å; Y46-H186 VanDerWaalsContact O-NE2 3.17Å
187R88.4Confident94Very high113 Ų11375.3 Ų75.343%0.42636%0.356SS..SBendtrans-103.1140.6175.2-64.4-177.3175160.39.8110.1E37 H185 L189E37-R187 WeakPolarHBondContact OE2-CD 3.46Å; E37-R187 IonicContact OE2-CZ 2.64Å; E37-R187 IonicContact OE2-NE 2.89Å; E37-R187 PolarHBondContact OE2-NE 3.32Å; E37-R187 IonicContact OE2-NH1 2.74Å; E37-R187 PolarHBondContact OE2-NH1 2.72Å; E37-R187 IonicContact OE2-NH2 3.05Å; E37-R187 PolarHBondContact OE2-NH2 3.48Å; H185-R187 WeakPolarHBondContact CB-O 3.47Å; H185-R187 PolarHBondContact O-N 3.39Å; R187-L189 PolarHBondContact O-N 3.29Å; R187-L189 VanDerWaalsContact O-N 3.16Å
188K84.5Confident94Very high213 Ų21370.5 Ų70.593%0.92634%0.336SS*.  trans-69.1115.3175.7-167.9174.9-176.7177.60109.5
189L87Confident93.9Very high42 Ų4266.3 Ų66.322%0.2232%0.32CS..  trans-90.7150172.5-55.9-176.1000110.2F44 H185 R187 F193F44-L189 HydrophobicContact CB-CD1 4.11Å; F44-L189 HydrophobicContact CB-CD2 4.32Å; F44-L189 HydrophobicContact CD1-CD2 3.49Å; F44-L189 VanDerWaalsContact CD1-CD2 3.49Å; F44-L189 HydrophobicContact CE1-CD2 3.83Å; F44-L189 HydrophobicContact CG-CD1 4.17Å; F44-L189 HydrophobicContact CG-CD2 3.85Å; F44-L189 HydrophobicContact CZ-CD2 4.48Å; H185-L189 HydrophobicContact CB-CD1 4.36Å; H185-L189 HydrophobicContact CB-CG 4.36Å; R187-L189 PolarHBondContact O-N 3.29Å; R187-L189 VanDerWaalsContact O-N 3.16Å; L189-F193 HydrophobicContact CD1-CD2 4.34Å; L189-F193 HydrophobicContact CD1-CE2 3.74Å; L189-F193 HydrophobicContact CD1-CZ 4.18Å
190A86.6Confident93.8Very high107 Ų10771.8 Ų71.888%0.88436%0.355SS*.SBendtrans-74.5-30.2176.400000112.3
191N90Very high93.8Very high94 Ų9465.3 Ų65.350%0.50333%0.333SS..SBendtrans-84142.5-178.7-59.6-55.5000110.4L138 F193L138-N191 HydrophobicContact CD1-CB 3.69Å; L138-N191 VanDerWaalsContact CD1-CG 3.49Å; L138-N191 VanDerWaalsContact CD1-ND2 3.29Å; L138-N191 WeakPolarHBondContact CD1-ND2 3.21Å; N191-F193 HydrophobicContact CB-CD2 4.36Å; N191-F193 HydrophobicContact CB-CE2 3.94Å; N191-F193 WeakPolarHBondContact O-CD2 3.4Å
192E93.2Very high93.7Very high108 Ų10868.8 Ų68.851%0.50535%0.351SS..  trans-80.6128.8171.5-174.3176.7-163.700109.9G163 V164 R194G163-E192 CarbonylContact C-O 3.53Å; G163-E192 VanDerWaalsContact CA-O 3.28Å; G163-E192 WeakPolarHBondContact CA-O 3.19Å; V164-E192 HydrophobicContact CG2-CB 4.05Å; V164-E192 HydrophobicContact CG2-CG 3.74Å; V164-E192 PolarHBondContact N-O 2.59Å; E192-R194 IonicContact OE1-CZ 2.59Å; E192-R194 IonicContact OE1-NH1 3.45Å; E192-R194 PolarHBondContact OE1-NH1 3.26Å; E192-R194 IonicContact OE1-NH2 3.12Å; E192-R194 PolarHBondContact OE1-NH2 2.89Å
193F95.9Very high93.7Very high24 Ų2467.5 Ų67.511%0.10534%0.341CS..EExtended strand (participates in β ladder)trans-108.3152.6177.9-80.6-111.4000111.6L138 T162 P183 H185 L189 N191L138-F193 HydrophobicContact CD1-CE2 4.4Å; L138-F193 HydrophobicContact CD1-CZ 4.27Å; L138-F193 HydrophobicContact CD2-CE1 4.39Å; L138-F193 HydrophobicContact CD2-CZ 4.18Å; L138-F193 HydrophobicContact CG-CZ 4.47Å; T162-F193 VanDerWaalsContact C-CD1 3.41Å; T162-F193 WeakPolarHBondContact O-CA 3.37Å; P183-F193 HydrophobicContact CG-CB 3.93Å; H185-F193 AromaticContact CE1-CG 3.9Å; L189-F193 HydrophobicContact CD1-CD2 4.34Å; L189-F193 HydrophobicContact CD1-CE2 3.74Å; L189-F193 HydrophobicContact CD1-CZ 4.18Å; N191-F193 HydrophobicContact CB-CD2 4.36Å; N191-F193 HydrophobicContact CB-CE2 3.94Å; N191-F193 WeakPolarHBondContact O-CD2 3.4Å
194R97.4Very high93.8Very high46 Ų4667 Ų6717%0.17434%0.337CS..EExtended strand (participates in β ladder)trans-142.8159.2173.9-75.4-63-174-73.1-4.4110.9C161 T162 V164 R178 L182 E192 Y196C161-R194 WeakPolarHBondContact CA-O 3.29Å; T162-R194 PolarHBondContact N-O 2.84Å; T162-R194 VanDerWaalsContact N-O 3.09Å; T162-R194 PolarHBondContact O-N 3.38Å; V164-R194 HydrophobicContact CG2-CB 4.41Å; V164-R194 HydrophobicContact CG2-CG 3.71Å; R178-R194 HydrophobicContact CG-CB 4.17Å; R178-R194 HydrophobicContact CG-CG 4.21Å; L182-R194 VanDerWaalsContact CD2-NH1 3.34Å; E192-R194 IonicContact OE1-CZ 2.59Å; E192-R194 IonicContact OE1-NH1 3.45Å; E192-R194 PolarHBondContact OE1-NH1 3.26Å; E192-R194 IonicContact OE1-NH2 3.12Å; E192-R194 PolarHBondContact OE1-NH2 2.89Å; R194-Y196 HydrophobicContact CB-CE2 3.74Å; R194-Y196 WeakPolarHBondContact O-CE2 3.33Å
195C97.8Very high93.7Very high0 Ų064.3 Ų64.30%033%0.326CS..EExtended strand (participates in β ladder)trans-97146.4169.3-59.40000110.4F160 C161 C179 L204F160-C195 CarbonylContact O-C 3.57Å; F160-C195 WeakPolarHBondContact O-CA 3.32Å; C161-C195 PolarHBondContact SG-SG 2.89Å; C179-C195 HydrophobicContact CB-CB 4.1Å; C179-C195 PolarHBondContact N-O 3.15Å; C195-L204 HydrophobicContact CB-CD1 4.31Å
196Y98.5Very high93Very high0 Ų066.2 Ų66.20%034%0.338CS..EExtended strand (participates in β ladder)trans-136.9127.7180-56.1-90.2000109.7I159 F160 T162 E167 L170 Q177 R178 R194I159-Y196 CarbonylContact C-O 3.55Å; I159-Y196 VanDerWaalsContact CA-O 3.27Å; I159-Y196 WeakPolarHBondContact CA-O 3.43Å; F160-Y196 PolarHBondContact N-O 2.93Å; F160-Y196 WeakPolarHBondContact O-CD2 3.3Å; F160-Y196 PolarHBondContact O-N 3.19Å; T162-Y196 HydrophobicContact CG2-CD2 4.17Å; T162-Y196 HydrophobicContact CG2-CE2 3.86Å; E167-Y196 HydrophobicContact CB-CE1 4.13Å; E167-Y196 WeakPolarHBondContact CB-OH 3.47Å; E167-Y196 HydrophobicContact CG-CE1 3.57Å; E167-Y196 WeakPolarHBondContact OE2-CE1 3.39Å; E167-Y196 PolarHBondContact OE2-OH 2.74Å; L170-Y196 HydrophobicContact CD2-CD1 4.26Å; L170-Y196 HydrophobicContact CD2-CD2 3.49Å; L170-Y196 VanDerWaalsContact CD2-CD2 3.49Å; L170-Y196 HydrophobicContact CD2-CE2 4.16Å; L170-Y196 HydrophobicContact CD2-CG 3.56Å; Q177-Y196 CarbonylContact O-C 3.59Å; Q177-Y196 WeakPolarHBondContact O-CA 3.4Å; R178-Y196 HydrophobicContact CB-CD1 3.86Å; R178-Y196 HydrophobicContact CB-CE1 3.71Å; R178-Y196 HydrophobicContact CG-CD1 4.2Å; R178-Y196 HydrophobicContact CG-CE1 3.77Å; R194-Y196 HydrophobicContact CB-CE2 3.74Å; R194-Y196 WeakPolarHBondContact O-CE2 3.33Å
197A98.4Very high91.4Very high5 Ų566.9 Ų66.94%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-129.9147.8-178.800000112.1I158 I159 V176 Q177 Y199 T201I158-A197 VanDerWaalsContact O-CA 3.31Å; I158-A197 WeakPolarHBondContact O-CA 3.06Å; I159-A197 HydrophobicContact CG1-CB 4.5Å; V176-A197 CarbonylContact C-O 3.28Å; V176-A197 VanDerWaalsContact CA-O 3.26Å; V176-A197 WeakPolarHBondContact CA-O 3.46Å; Q177-A197 PolarHBondContact N-O 3.24Å; Q177-A197 PolarHBondContact O-N 2.85Å; A197-Y199 HydrophobicContact CB-CD1 4.29Å; A197-Y199 HydrophobicContact CB-CE1 4.18Å; A197-T201 HydrophobicContact CB-CG2 3.4Å; A197-T201 VanDerWaalsContact CB-CG2 3.4Å
198N97.6Very high89.7Confident54 Ų5469.9 Ų69.929%0.28936%0.357SS..SBendtrans-9715.3177.473.9-20.5000113.8E156 R157 I158 K175 V176E156-N198 PolarHBondContact O-ND2 2.79Å; R157-N198 WeakPolarHBondContact CA-OD1 3.26Å; I158-N198 PolarHBondContact N-OD1 3.25Å; I158-N198 PolarHBondContact O-N 2.93Å; I158-N198 VanDerWaalsContact O-N 3.15Å; I158-N198 PolarHBondContact O-OD1 3.17Å; K175-N198 WeakPolarHBondContact O-CA 3.12Å; K175-N198 VanDerWaalsContact O-CB 3.24Å; K175-N198 WeakPolarHBondContact O-CB 3.29Å; V176-N198 HydrophobicContact CG1-CB 3.83Å
199Y96.1Very high87.7Confident35 Ų3566.9 Ų66.914%0.13735%0.346CS..SBendtrans-146.7158178.769.1-77.7000108.9E57 A61 R157 I159 A197 T201E57-Y199 WeakPolarHBondContact CG-OH 3.35Å; E57-Y199 WeakPolarHBondContact OE1-CE2 3.46Å; E57-Y199 PolarHBondContact OE1-OH 2.87Å; A61-Y199 HydrophobicContact CB-CE2 4.48Å; R157-Y199 HydrophobicContact CB-CD1 3.56Å; R157-Y199 HydrophobicContact CB-CE1 3.65Å; R157-Y199 HydrophobicContact CB-CG 4.17Å; R157-Y199 HydrophobicContact CG-CD1 3.77Å; R157-Y199 HydrophobicContact CG-CD2 4.27Å; R157-Y199 HydrophobicContact CG-CE1 4.17Å; R157-Y199 HydrophobicContact CG-CG 3.83Å; I159-Y199 HydrophobicContact CD1-CE1 4.45Å; I159-Y199 WeakPolarHBondContact CD1-OH 3.39Å; I159-Y199 HydrophobicContact CG1-CE1 3.89Å; A197-Y199 HydrophobicContact CB-CD1 4.29Å; A197-Y199 HydrophobicContact CB-CE1 4.18Å; Y199-T201 HydrophobicContact CE2-CG2 4.34Å; Y199-T201 PolarHBondContact O-N 2.89Å
200P94.7Very high85.3Confident120 Ų12077.7 Ų77.778%0.77940%0.396SS*.  trans-61.8120.7174.5-21.333.4000110.4
201T95.3Very high85.2Confident16 Ų1676.3 Ų76.310%0.09837%0.372CS..  trans-90.5153.5-179.872.30000110.7E57 A197 Y199 L204 D205E57-T201 WeakPolarHBondContact OE1-CA 3.39Å; E57-T201 WeakPolarHBondContact OE1-CB 3.2Å; A197-T201 HydrophobicContact CB-CG2 3.4Å; A197-T201 VanDerWaalsContact CB-CG2 3.4Å; Y199-T201 HydrophobicContact CE2-CG2 4.34Å; Y199-T201 PolarHBondContact O-N 2.89Å; T201-L204 HydrophobicContact CG2-CB 4.16Å; T201-L204 HydrophobicContact CG2-CD1 4.25Å; T201-L204 HydrophobicContact CG2-CG 4.43Å; T201-L204 WeakPolarHBondContact OG1-CA 3.28Å; T201-L204 WeakPolarHBondContact OG1-CB 3.34Å; T201-L204 PolarHBondContact OG1-N 3.43Å; T201-D205 WeakPolarHBondContact OG1-CB 3.48Å; T201-D205 VanDerWaalsContact OG1-CG 3.22Å; T201-D205 PolarHBondContact OG1-N 2.64Å; T201-D205 VanDerWaalsContact OG1-N 3.09Å; T201-D205 PolarHBondContact OG1-OD2 3.08Å
202I94.6Very high84.9Confident99 Ų9975.3 Ų75.351%0.50837%0.365SS..SBendtrans-95.8-48176.7-59.7-172.9000109.3E57 S60 D206E57-I202 PolarHBondContact OE2-N 3.49Å; S60-I202 WeakPolarHBondContact OG-CD1 3.48Å; I202-D206 WeakPolarHBondContact O-CB 3.27Å
203Y95.8Very high84.5Confident64 Ų6473.5 Ų73.525%0.25136%0.357SS..SBendtrans-89.7-26.4-174.1-66.2-89.8000111.8R53 M56 E57R53-Y203 VanDerWaalsContact CZ-O 3.24Å; R53-Y203 PolarHBondContact NE-O 2.96Å; R53-Y203 PolarHBondContact NH2-O 3.47Å; M56-Y203 HydrophobicContact CB-CD1 3.87Å; M56-Y203 HydrophobicContact CB-CD2 4.16Å; M56-Y203 HydrophobicContact CB-CE1 3.95Å; M56-Y203 HydrophobicContact CB-CE2 4.24Å; M56-Y203 HydrophobicContact CB-CG 3.99Å; M56-Y203 HydrophobicContact CE-CE1 3.8Å; M56-Y203 WeakPolarHBondContact CE-OH 3.38Å; M56-Y203 HydrophobicContact CG-CE1 4.5Å; E57-Y203 WeakPolarHBondContact OE2-CB 3.46Å; E57-Y203 PolarHBondContact OE2-N 3.27Å
204L96.4Very high83.8Confident1 Ų176.4 Ų76.41%0.00537%0.372CS..SBendtrans-91.2-10.4-175.6-46.9-179.9000114.5R53 L54 E57 I159 C179 R180 F181 C195 T201R53-L204 HydrophobicContact CG-CD2 4.12Å; L54-L204 HydrophobicContact CD2-CD1 4.21Å; L54-L204 HydrophobicContact CD2-CD2 3.89Å; E57-L204 HydrophobicContact CB-CD1 4.35Å; E57-L204 HydrophobicContact CB-CD2 4.31Å; E57-L204 HydrophobicContact CB-CG 4.07Å; E57-L204 HydrophobicContact CG-CD1 3.88Å; E57-L204 HydrophobicContact CG-CG 3.84Å; I159-L204 HydrophobicContact CD1-CD1 4.34Å; I159-L204 HydrophobicContact CG2-CD1 3.99Å; C179-L204 HydrophobicContact CB-CB 3.81Å; R180-L204 PolarHBondContact N-O 3.18Å; F181-L204 HydrophobicContact CB-CB 4.04Å; F181-L204 HydrophobicContact CB-CD2 4.23Å; F181-L204 WeakPolarHBondContact CB-O 3.35Å; F181-L204 HydrophobicContact CD1-CD2 3.85Å; F181-L204 HydrophobicContact CG-CD2 4.07Å; F181-L204 PolarHBondContact N-O 2.64Å; C195-L204 HydrophobicContact CB-CD1 4.31Å; T201-L204 HydrophobicContact CG2-CB 4.16Å; T201-L204 HydrophobicContact CG2-CD1 4.25Å; T201-L204 HydrophobicContact CG2-CG 4.43Å; T201-L204 WeakPolarHBondContact OG1-CA 3.28Å; T201-L204 WeakPolarHBondContact OG1-CB 3.34Å; T201-L204 PolarHBondContact OG1-N 3.43Å
205D93.3Very high83Confident51 Ų5178.3 Ų78.327%0.27338%0.384SS..SBendtrans-123.75.3178.7-69.5-49.2000114.1C179 R180 T201 E207C179-D205 WeakPolarHBondContact CA-OD1 3.48Å; R180-D205 PolarHBondContact N-OD1 2.83Å; R180-D205 PolarHBondContact NH1-O 2.92Å; T201-D205 WeakPolarHBondContact OG1-CB 3.48Å; T201-D205 VanDerWaalsContact OG1-CG 3.22Å; T201-D205 PolarHBondContact OG1-N 2.64Å; T201-D205 VanDerWaalsContact OG1-N 3.09Å; T201-D205 PolarHBondContact OG1-OD2 3.08Å; D205-E207 PolarHBondContact O-N 2.77Å
206D79.1Confident82Confident69 Ų6983.5 Ų83.537%0.36941%0.41SS..  trans-59.1133.6180-150-4.1000111.3R53 I202 K208R53-D206 IonicContact NH2-OD2 3.1Å; R53-D206 PolarHBondContact NH2-OD2 3.14Å; R53-D206 VanDerWaalsContact NH2-OD2 3.12Å; I202-D206 WeakPolarHBondContact O-CB 3.27Å; D206-K208 PolarHBondContact O-N 2.66Å
207E58.4Low80.8Confident144 Ų14489.5 Ų89.567%0.67344%0.439SS*.SBendtrans-79.64.2-175.6-74-172.116900113.8R180 D205 E209R180-E207 IonicContact CZ-OE1 3.29Å; R180-E207 IonicContact NH1-OE1 2.78Å; R180-E207 PolarHBondContact NH1-OE1 3.16Å; R180-E207 IonicContact NH2-OE1 2.66Å; R180-E207 PolarHBondContact NH2-OE1 3.27Å; R180-E207 VanDerWaalsContact NH2-OE1 3.14Å; D205-E207 PolarHBondContact O-N 2.77Å; E207-E209 VanDerWaalsContact C-N 3.32Å; E207-E209 PolarHBondContact O-N 2.78Å
208K54Low79.4Confident176 Ų17696 Ų9677%0.76547%0.47SS*.  trans-846.6-163.8-70.9-172.7-179.9177.30116.3D206D206-K208 PolarHBondContact O-N 2.66Å
209E42.6Very low77.9Confident149 Ų14999.5 Ų99.570%0.69649%0.485SS*.  trans-130.283.9174.8-71.7-176.7175.900111.3E207E207-E209 VanDerWaalsContact C-N 3.32Å; E207-E209 PolarHBondContact O-N 2.78Å
210E34.7Very low76.3Confident270 Ų270105.4 Ų105.4100%1.26252%0.516SS*.  trans-122.70147.4-81.9-172.3172.300109.1

Retrieved 210 of 210 residues in 248.9 ms (Link to these results)

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