A0A077ZED6_TRITR Loading...

Methyltransf 23 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZED6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 246 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
1M43Very low43.2Very low248 Ų248146.7 Ų146.7100%1.22286%0.859SS**  0106.20-80.4-171.1-93.300107.7
2S39.3Very low44.4Very low113 Ų113144.6 Ų144.679%0.7985%0.85SS**  trans-112.2124.7178.8-172.90000107.5
3I42.3Very low47Very low156 Ų156140.8 Ų140.880%0.884%0.836SS**  trans-118.3103.4174.6-57.5176.1000106.6
4C40.7Very low50.1Low115 Ų115133.2 Ų133.278%0.77780%0.801SS**PPolyproline II helixtrans-70.3125.8169-61.10000109.4
5T45Very low53Low139 Ų139125.1 Ų125.185%0.85375%0.752SS**PPolyproline II helixtrans-86.3122.1168.240.60000109.7
6G41.1Very low55.6Low79 Ų79121.6 Ų121.681%0.81474%0.735SS**PPolyproline II helixtrans-72.5135.5-175.700000113.8
7G41.6Very low57.9Low74 Ų74120.6 Ų120.676%0.76372%0.721SS**PPolyproline II helixtrans-73.1132.1164.700000111L9G7-L9 PolarHBondContact O-N 3.16Å
8K41.4Very low60Low209 Ų209122.2 Ų122.291%0.90972%0.717SS**  trans-62.4114.8170.9-83.8176.3172.8177.80109.9T10K8-T10 PolarHBondContact O-N 3.42Å
9L46.5Very low61.9Low166 Ų166121.7 Ų121.787%0.86970%0.702SS**  trans-69.2117.4163-73159.5000108.1G7 E11G7-L9 PolarHBondContact O-N 3.16Å; L9-E11 PolarHBondContact O-N 3.07Å
10T44Very low63.7Low126 Ų126117.9 Ų117.977%0.77368%0.677SS**  trans-64.9111.5167.447.90000108.4K8 T12K8-T10 PolarHBondContact O-N 3.42Å; T10-T12 PolarHBondContact O-N 2.91Å
11E50.9Low65.2Low189 Ų189117.8 Ų117.888%0.88367%0.67SS**  trans-60.5101.2172.5-77.1-175153.700109.6L9 S13L9-E11 PolarHBondContact O-N 3.07Å; E11-S13 PolarHBondContact O-N 3.35Å
12T57.5Low67.8Low121 Ų121111.8 Ų111.874%0.74264%0.638SS**  trans-68.510116753.10000107.1T10 G14T10-T12 PolarHBondContact O-N 2.91Å; T12-G14 PolarHBondContact O-N 2.8Å
13S77.8Confident70.6Confident96 Ų96107.2 Ų107.267%0.67160%0.604SS**  trans-65.43.7-168.858.20000115.8E11 G175 H176E11-S13 PolarHBondContact O-N 3.35Å; S13-G175 CarbonylContact O-C 3.56Å; S13-G175 WeakPolarHBondContact O-CA 3.45Å; S13-H176 PolarHBondContact O-N 2.95Å; S13-H176 VanDerWaalsContact O-N 3.16Å
14G90.8Very high73.2Confident34 Ų34102.2 Ų102.235%0.35158%0.577SS.*SBendtrans-105-176-178.200000114.9T12T12-G14 PolarHBondContact O-N 2.8Å
15V93.6Very high75.9Confident11 Ų11103.8 Ų103.87%0.06757%0.573CS.*  trans-72.8130.6174.6176.20000110.3R19 K20 L23 H176 K178 L179 V185V15-R19 HydrophobicContact CG1-CB 3.66Å; V15-R19 HydrophobicContact CG1-CG 3.59Å; V15-K20 HydrophobicContact CB-CG 4.42Å; V15-K20 HydrophobicContact CG1-CG 3.95Å; V15-K20 WeakPolarHBondContact O-CE 3.46Å; V15-L23 HydrophobicContact CG1-CD1 4.44Å; V15-H176 WeakPolarHBondContact CG2-O 2.87Å; V15-K178 WeakPolarHBondContact CG2-O 3.39Å; V15-K178 PolarHBondContact N-O 3.11Å; V15-L179 HydrophobicContact CB-CD2 3.87Å; V15-L179 HydrophobicContact CG1-CD2 3.79Å; V15-L179 HydrophobicContact CG2-CD2 3.93Å; V15-V185 HydrophobicContact CG2-CG1 4Å
16S94.4Very high78.4Confident69 Ų6998.6 Ų98.648%0.48354%0.54SS..  trans-63.1150.6177.5670000112.7F18 R19 K20S16-F18 VanDerWaalsContact C-N 3.33Å; S16-F18 PolarHBondContact O-N 2.81Å; S16-R19 CarbonylContact O-C 3.48Å; S16-R19 WeakPolarHBondContact O-CA 3.07Å; S16-R19 WeakPolarHBondContact O-CB 2.94Å; S16-R19 PolarHBondContact O-N 3.27Å; S16-K20 PolarHBondContact O-N 3.37Å
17E95.1Very high81.1Confident106 Ų10695.3 Ų95.350%0.49551%0.505SS..Hα-helixtrans-56.9-44-177.7-174.750.8-141.700112.9R19 K20 Q21E17-R19 VanDerWaalsContact C-N 3.25Å; E17-R19 PolarHBondContact O-N 3.12Å; E17-K20 WeakPolarHBondContact O-CB 3.13Å; E17-K20 PolarHBondContact O-N 2.78Å; E17-K20 VanDerWaalsContact O-N 3.08Å; E17-Q21 WeakPolarHBondContact O-CG 3.45Å; E17-Q21 PolarHBondContact O-N 3.5Å; E17-Q21 WeakPolarHBondContact OE1-CG 3.38Å; E17-Q21 PolarHBondContact OE1-NE2 2.9Å
18F95.9Very high83.8Confident148 Ų14895.5 Ų95.565%0.64949%0.486SS*.Hα-helixtrans-54.9-41.5173176.2-98.6000112.5S16 K22S16-F18 VanDerWaalsContact C-N 3.33Å; S16-F18 PolarHBondContact O-N 2.81Å; F18-K22 HydrophobicContact CE1-CD 4.49Å; F18-K22 WeakPolarHBondContact O-CB 3.41Å; F18-K22 PolarHBondContact O-N 2.98Å
19R95.8Very high86.5Confident113 Ų11390.8 Ų90.843%0.42647%0.466SS..Hα-helixtrans-71.9-36.4178.2-177.9170.1173.4-155.32.1111.4V15 S16 E17 K22 L23V15-R19 HydrophobicContact CG1-CB 3.66Å; V15-R19 HydrophobicContact CG1-CG 3.59Å; S16-R19 CarbonylContact O-C 3.48Å; S16-R19 WeakPolarHBondContact O-CA 3.07Å; S16-R19 WeakPolarHBondContact O-CB 2.94Å; S16-R19 PolarHBondContact O-N 3.27Å; E17-R19 VanDerWaalsContact C-N 3.25Å; E17-R19 PolarHBondContact O-N 3.12Å; R19-K22 PolarHBondContact O-N 3.2Å; R19-L23 HydrophobicContact CG-CD1 4.12Å; R19-L23 HydrophobicContact CG-CG 4.47Å; R19-L23 WeakPolarHBondContact O-CB 3.33Å; R19-L23 WeakPolarHBondContact O-CD1 3.47Å; R19-L23 VanDerWaalsContact O-CG 3.23Å; R19-L23 WeakPolarHBondContact O-CG 3.21Å; R19-L23 PolarHBondContact O-N 2.96Å
20K96.7Very high88.9Confident46 Ų4683.5 Ų83.520%0.243%0.428CS..Hα-helixtrans-59.7-51.2173.3-62.2-171.1-171.9-176.90111.5V15 S16 E17 K22 L23 E24 L179 E180V15-K20 HydrophobicContact CB-CG 4.42Å; V15-K20 HydrophobicContact CG1-CG 3.95Å; V15-K20 WeakPolarHBondContact O-CE 3.46Å; S16-K20 PolarHBondContact O-N 3.37Å; E17-K20 WeakPolarHBondContact O-CB 3.13Å; E17-K20 PolarHBondContact O-N 2.78Å; E17-K20 VanDerWaalsContact O-N 3.08Å; K20-K22 VanDerWaalsContact C-N 3.32Å; K20-K22 PolarHBondContact O-N 3.29Å; K20-L23 WeakPolarHBondContact O-CB 3.41Å; K20-L23 PolarHBondContact O-N 3.23Å; K20-L23 VanDerWaalsContact O-N 3.08Å; K20-E24 PolarHBondContact O-N 2.76Å; K20-L179 WeakPolarHBondContact CE-O 3.49Å; K20-L179 HydrophobicContact CG-CD2 4Å; K20-L179 PolarHBondContact NZ-O 2.95Å; K20-E180 IonicContact NZ-OE1 2.64Å
21Q96.5Very high91.5Very high115 Ų11579.5 Ų79.554%0.53740%0.398SS..Hα-helixtrans-60.1-42178.3-67.4174.713.300112E17 L23 E24 H25E17-Q21 WeakPolarHBondContact O-CG 3.45Å; E17-Q21 PolarHBondContact O-N 3.5Å; E17-Q21 WeakPolarHBondContact OE1-CG 3.38Å; E17-Q21 PolarHBondContact OE1-NE2 2.9Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.13Å; Q21-E24 PolarHBondContact O-N 3.47Å; Q21-H25 WeakPolarHBondContact O-CB 3.22Å; Q21-H25 PolarHBondContact O-N 2.85Å
22K97.4Very high93.8Very high123 Ų12372 Ų7254%0.53536%0.364SS..Hα-helixtrans-63.6-37.7175.1-174174.5-178.5175.40112.5F18 R19 K20 N26F18-K22 HydrophobicContact CE1-CD 4.49Å; F18-K22 WeakPolarHBondContact O-CB 3.41Å; F18-K22 PolarHBondContact O-N 2.98Å; R19-K22 PolarHBondContact O-N 3.2Å; K20-K22 VanDerWaalsContact C-N 3.32Å; K20-K22 PolarHBondContact O-N 3.29Å; K22-N26 WeakPolarHBondContact CG-ND2 3.21Å; K22-N26 WeakPolarHBondContact O-CB 3.31Å; K22-N26 PolarHBondContact O-N 3.04Å; K22-N26 VanDerWaalsContact O-N 3.1Å; K22-N26 PolarHBondContact O-ND2 2.98Å
23L97.6Very high95.7Very high17 Ų1772.5 Ų72.59%0.08935%0.352CS..Hα-helixtrans-66.9-42.8176.7-75.3164.3000111.3V15 R19 K20 Q21 N26 A27 L179 V185V15-L23 HydrophobicContact CG1-CD1 4.44Å; R19-L23 HydrophobicContact CG-CD1 4.12Å; R19-L23 HydrophobicContact CG-CG 4.47Å; R19-L23 WeakPolarHBondContact O-CB 3.33Å; R19-L23 WeakPolarHBondContact O-CD1 3.47Å; R19-L23 VanDerWaalsContact O-CG 3.23Å; R19-L23 WeakPolarHBondContact O-CG 3.21Å; R19-L23 PolarHBondContact O-N 2.96Å; K20-L23 WeakPolarHBondContact O-CB 3.41Å; K20-L23 PolarHBondContact O-N 3.23Å; K20-L23 VanDerWaalsContact O-N 3.08Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.13Å; L23-N26 CarbonylContact O-C 3.58Å; L23-N26 PolarHBondContact O-N 3.23Å; L23-A27 PolarHBondContact O-N 2.95Å; L23-L179 HydrophobicContact CD1-CD2 3.71Å; L23-V185 HydrophobicContact CD1-CB 4.05Å; L23-V185 HydrophobicContact CD1-CG1 4.3Å; L23-V185 HydrophobicContact CD1-CG2 3.66Å; L23-V185 HydrophobicContact CD2-CG2 3.73Å; L23-V185 HydrophobicContact CG-CG2 4.34Å
24E97.1Very high96.7Very high50 Ų5068.2 Ų68.223%0.23432%0.322CS..Hα-helixtrans-63.4-50.3176179.355.5-15600111.4K20 Q21 N26 A27 K137 R191K20-E24 PolarHBondContact O-N 2.76Å; Q21-E24 PolarHBondContact O-N 3.47Å; E24-N26 PolarHBondContact O-N 2.65Å; E24-N26 VanDerWaalsContact O-N 3.17Å; E24-A27 VanDerWaalsContact O-CB 3.28Å; E24-A27 WeakPolarHBondContact O-CB 3.47Å; E24-A27 PolarHBondContact O-N 3.37Å; E24-K137 WeakPolarHBondContact OE1-CE 3.45Å; E24-K137 IonicContact OE1-NZ 2.62Å; E24-K137 PolarHBondContact OE1-NZ 3.27Å; E24-R191 IonicContact OE2-CZ 2.69Å; E24-R191 IonicContact OE2-NH1 3.37Å; E24-R191 PolarHBondContact OE2-NH1 2.9Å; E24-R191 IonicContact OE2-NH2 3.65Å; E24-R191 PolarHBondContact OE2-NH2 2.92Å
25H97.1Very high97Very high149 Ų14967.1 Ų67.169%0.6931%0.307SS*.Hα-helixtrans-57.8-33.1177.2-179.982.1000113Q21Q21-H25 WeakPolarHBondContact O-CB 3.22Å; Q21-H25 PolarHBondContact O-N 2.85Å
26N97.7Very high97.2Very high29 Ų2971.1 Ų71.116%0.15533%0.328CS..THydrogen-bonded Turntrans-98.510.9-179.8-67.1-62000113.8K22 L23 E24 Q28 K29 N30K22-N26 WeakPolarHBondContact CG-ND2 3.21Å; K22-N26 WeakPolarHBondContact O-CB 3.31Å; K22-N26 PolarHBondContact O-N 3.04Å; K22-N26 VanDerWaalsContact O-N 3.1Å; K22-N26 PolarHBondContact O-ND2 2.98Å; L23-N26 CarbonylContact O-C 3.58Å; L23-N26 PolarHBondContact O-N 3.23Å; E24-N26 PolarHBondContact O-N 2.65Å; E24-N26 VanDerWaalsContact O-N 3.17Å; N26-Q28 VanDerWaalsContact C-N 3.29Å; N26-Q28 PolarHBondContact O-N 3.42Å; N26-K29 PolarHBondContact O-N 3.4Å; N26-N30 VanDerWaalsContact O-CG 3.3Å; N26-N30 PolarHBondContact O-N 2.85Å
27A97.9Very high97.3Very high10 Ų1076.2 Ų76.28%0.08334%0.336CS..Hα-helixtrans-54-45.3-173.100000112.3L23 E24 N30 W31 F86L23-A27 PolarHBondContact O-N 2.95Å; E24-A27 VanDerWaalsContact O-CB 3.28Å; E24-A27 WeakPolarHBondContact O-CB 3.47Å; E24-A27 PolarHBondContact O-N 3.37Å; A27-N30 PolarHBondContact O-N 2.69Å; A27-W31 PolarHBondContact O-N 3.03Å; A27-F86 HydrophobicContact CB-CE1 3.94Å
28Q98.1Very high97.4Very high78 Ų7873.5 Ų73.536%0.36433%0.325SS..Hα-helixtrans-63.9-45.3178.1-162.3-179.643.800111.8N26 N30 W31 D32 F86N26-Q28 VanDerWaalsContact C-N 3.29Å; N26-Q28 PolarHBondContact O-N 3.42Å; Q28-N30 VanDerWaalsContact C-N 3.28Å; Q28-N30 PolarHBondContact O-N 2.55Å; Q28-W31 PolarHBondContact O-N 2.86Å; Q28-D32 PolarHBondContact O-N 3.28Å; Q28-F86 HydrophobicContact CB-CD1 4.1Å; Q28-F86 HydrophobicContact CB-CD2 4.47Å; Q28-F86 HydrophobicContact CB-CE1 3.54Å; Q28-F86 HydrophobicContact CB-CE2 3.92Å; Q28-F86 HydrophobicContact CB-CZ 3.43Å; Q28-F86 VanDerWaalsContact CB-CZ 3.43Å; Q28-F86 HydrophobicContact CG-CD1 4.15Å; Q28-F86 HydrophobicContact CG-CD2 4.06Å; Q28-F86 HydrophobicContact CG-CE1 4.05Å; Q28-F86 HydrophobicContact CG-CE2 3.91Å; Q28-F86 HydrophobicContact CG-CG 4.18Å; Q28-F86 HydrophobicContact CG-CZ 3.93Å; Q28-F86 VanDerWaalsContact CG-O 3.3Å; Q28-F86 WeakPolarHBondContact CG-O 3.45Å; Q28-F86 PolarHBondContact NE2-O 2.93Å
29K97.9Very high97.4Very high111 Ų11168.9 Ų68.948%0.48331%0.311SS..Hα-helixtrans-63.6-34.9179.6-67178.6-176.4167.30111.7N26 R33N26-K29 PolarHBondContact O-N 3.4Å; K29-R33 WeakPolarHBondContact O-CB 3.48Å; K29-R33 WeakPolarHBondContact O-CG 3.39Å; K29-R33 PolarHBondContact O-N 3.38Å
30N98.1Very high97.3Very high13 Ų1367.2 Ų67.27%0.0731%0.314CS..Hα-helixtrans-67.7-43.6177.5-67-17.7000110.9N26 A27 Q28 R33 F34 G189N26-N30 VanDerWaalsContact O-CG 3.3Å; N26-N30 PolarHBondContact O-N 2.85Å; A27-N30 PolarHBondContact O-N 2.69Å; Q28-N30 VanDerWaalsContact C-N 3.28Å; Q28-N30 PolarHBondContact O-N 2.55Å; N30-R33 PolarHBondContact O-N 2.83Å; N30-F34 WeakPolarHBondContact O-CB 3.43Å; N30-F34 PolarHBondContact O-N 2.95Å; N30-G189 PolarHBondContact ND2-O 3.2Å
31W98.2Very high97.2Very high41 Ų4169.4 Ų69.416%0.15534%0.341CS..Hα-helixtrans-64.5-44172.5-80.1113.6000112.4A27 Q28 R33 F34 Y35 S132 T190A27-W31 PolarHBondContact O-N 3.03Å; Q28-W31 PolarHBondContact O-N 2.86Å; W31-R33 VanDerWaalsContact C-N 3.32Å; W31-R33 PolarHBondContact O-N 3.01Å; W31-F34 HydrophobicContact CE3-CB 4.37Å; W31-F34 AromaticContact CE3-CD1 3.98Å; W31-F34 HydrophobicContact CE3-CD1 3.98Å; W31-F34 HydrophobicContact CE3-CG 4.24Å; W31-F34 AromaticContact CZ3-CD1 3.96Å; W31-F34 HydrophobicContact CZ3-CD1 3.96Å; W31-F34 HydrophobicContact CZ3-CE1 4.17Å; W31-F34 HydrophobicContact CZ3-CG 4.28Å; W31-F34 VanDerWaalsContact O-CB 3.32Å; W31-F34 WeakPolarHBondContact O-CB 3.45Å; W31-F34 PolarHBondContact O-N 2.82Å; W31-F34 VanDerWaalsContact O-N 3.08Å; W31-Y35 AromaticContact CE3-CE2 3.9Å; W31-Y35 HydrophobicContact CE3-CE2 3.9Å; W31-Y35 WeakPolarHBondContact O-CD2 3.17Å; W31-Y35 PolarHBondContact O-N 3.26Å; W31-S132 VanDerWaalsContact CZ2-CB 3.42Å; W31-T190 HydrophobicContact CD2-CG2 3.9Å; W31-T190 HydrophobicContact CE3-CG2 4.02Å; W31-T190 HydrophobicContact CG-CG2 4.44Å; W31-T190 HydrophobicContact CH2-CG2 4.22Å; W31-T190 HydrophobicContact CZ2-CG2 4.08Å; W31-T190 HydrophobicContact CZ3-CG2 4.19Å
32D97.9Very high97Very high32 Ų3269.3 Ų69.317%0.17134%0.339CS..Hα-helixtrans-59.4-42.7176.8-164.485.7000112Q28 Y35 L36 S87 R89Q28-D32 PolarHBondContact O-N 3.28Å; D32-Y35 PolarHBondContact O-N 2.88Å; D32-L36 PolarHBondContact O-N 2.83Å; D32-S87 WeakPolarHBondContact CA-OG 3.45Å; D32-R89 WeakPolarHBondContact O-CD 3.15Å; D32-R89 PolarHBondContact O-NE 3.27Å; D32-R89 WeakPolarHBondContact OD1-CB 3.46Å; D32-R89 PolarHBondContact OD1-N 2.84Å; D32-R89 VanDerWaalsContact OD1-N 3.15Å; D32-R89 IonicContact OD1-NE 3.78Å; D32-R89 IonicContact OD2-CZ 2.95Å; D32-R89 IonicContact OD2-NE 2.74Å; D32-R89 PolarHBondContact OD2-NE 2.97Å; D32-R89 IonicContact OD2-NH2 3.85Å; D32-R89 PolarHBondContact OD2-NH2 3.2Å
33R97.9Very high96.7Very high131 Ų13166 Ų6649%0.49432%0.324SS..Hα-helixtrans-66.2-35.8174-74.5170.9-179.2167.1-0.9112.9K29 N30 W31 L36 R37K29-R33 WeakPolarHBondContact O-CB 3.48Å; K29-R33 WeakPolarHBondContact O-CG 3.39Å; K29-R33 PolarHBondContact O-N 3.38Å; N30-R33 PolarHBondContact O-N 2.83Å; W31-R33 VanDerWaalsContact C-N 3.32Å; W31-R33 PolarHBondContact O-N 3.01Å; R33-L36 WeakPolarHBondContact O-CB 3.4Å; R33-L36 PolarHBondContact O-N 3.03Å; R33-R37 WeakPolarHBondContact O-CG 3.49Å; R33-R37 PolarHBondContact O-N 2.97Å
34F98Very high96.5Very high7 Ų773.8 Ų73.83%0.03136%0.358CS..Hα-helixtrans-59.6-48.8174.3169.6-87000110.2N30 W31 L36 R37 N38 F42 F43 D188 T190N30-F34 WeakPolarHBondContact O-CB 3.43Å; N30-F34 PolarHBondContact O-N 2.95Å; W31-F34 HydrophobicContact CE3-CB 4.37Å; W31-F34 AromaticContact CE3-CD1 3.98Å; W31-F34 HydrophobicContact CE3-CD1 3.98Å; W31-F34 HydrophobicContact CE3-CG 4.24Å; W31-F34 AromaticContact CZ3-CD1 3.96Å; W31-F34 HydrophobicContact CZ3-CD1 3.96Å; W31-F34 HydrophobicContact CZ3-CE1 4.17Å; W31-F34 HydrophobicContact CZ3-CG 4.28Å; W31-F34 VanDerWaalsContact O-CB 3.32Å; W31-F34 WeakPolarHBondContact O-CB 3.45Å; W31-F34 PolarHBondContact O-N 2.82Å; W31-F34 VanDerWaalsContact O-N 3.08Å; F34-L36 VanDerWaalsContact C-N 3.32Å; F34-L36 PolarHBondContact O-N 3.29Å; F34-R37 PolarHBondContact O-N 3.49Å; F34-N38 WeakPolarHBondContact O-CB 3.2Å; F34-N38 PolarHBondContact O-N 3.49Å; F34-N38 VanDerWaalsContact O-N 3.07Å; F34-N38 PolarHBondContact O-ND2 3.47Å; F34-F42 HydrophobicContact CE1-CD1 4.45Å; F34-F42 HydrophobicContact CE1-CG 4.44Å; F34-F42 HydrophobicContact CE2-CD1 4.32Å; F34-F42 AromaticContact CE2-CD2 3.97Å; F34-F42 HydrophobicContact CE2-CD2 3.97Å; F34-F42 HydrophobicContact CE2-CE1 4.18Å; F34-F42 AromaticContact CE2-CE2 3.82Å; F34-F42 HydrophobicContact CE2-CE2 3.82Å; F34-F42 HydrophobicContact CE2-CG 4.21Å; F34-F42 AromaticContact CE2-CZ 3.92Å; F34-F42 HydrophobicContact CE2-CZ 3.92Å; F34-F42 HydrophobicContact CZ-CB 4.13Å; F34-F42 AromaticContact CZ-CD1 3.52Å; F34-F42 HydrophobicContact CZ-CD1 3.52Å; F34-F42 AromaticContact CZ-CD2 3.77Å; F34-F42 HydrophobicContact CZ-CD2 3.77Å; F34-F42 AromaticContact CZ-CE1 3.72Å; F34-F42 HydrophobicContact CZ-CE1 3.72Å; F34-F42 AromaticContact CZ-CE2 3.96Å; F34-F42 HydrophobicContact CZ-CE2 3.96Å; F34-F42 AromaticContact CZ-CG 3.53Å; F34-F42 HydrophobicContact CZ-CG 3.53Å; F34-F42 AromaticContact CZ-CZ 3.93Å; F34-F42 HydrophobicContact CZ-CZ 3.93Å; F34-F43 AromaticContact CE1-CE2 3.75Å; F34-F43 HydrophobicContact CE1-CE2 3.75Å; F34-F43 HydrophobicContact CE1-CZ 4.11Å; F34-F43 HydrophobicContact CZ-CE2 4.03Å; F34-F43 HydrophobicContact CZ-CZ 4.02Å; F34-D188 WeakPolarHBondContact CD2-OD2 3.43Å; F34-T190 HydrophobicContact CB-CG2 4.29Å
35Y98Very high96.4Very high10 Ų1075 Ų754%0.03937%0.366CS..Hα-helixtrans-68.2-30.5176.6-71.2-72.3000112.6W31 D32 R37 N38 S39 F43 G64 V65 S87 A90W31-Y35 AromaticContact CE3-CE2 3.9Å; W31-Y35 HydrophobicContact CE3-CE2 3.9Å; W31-Y35 WeakPolarHBondContact O-CD2 3.17Å; W31-Y35 PolarHBondContact O-N 3.26Å; D32-Y35 PolarHBondContact O-N 2.88Å; Y35-R37 VanDerWaalsContact C-N 3.29Å; Y35-R37 PolarHBondContact O-N 2.89Å; Y35-N38 PolarHBondContact O-N 3.18Å; Y35-S39 VanDerWaalsContact O-CA 3.31Å; Y35-S39 WeakPolarHBondContact O-CA 3.41Å; Y35-S39 PolarHBondContact O-N 3.15Å; Y35-F43 HydrophobicContact CE1-CE2 4.29Å; Y35-G64 WeakPolarHBondContact OH-CA 3.44Å; Y35-V65 HydrophobicContact CD1-CG1 3.82Å; Y35-V65 HydrophobicContact CE1-CG1 3.85Å; Y35-S87 WeakPolarHBondContact CD2-OG 3.41Å; Y35-A90 HydrophobicContact CD1-CB 4.06Å; Y35-A90 HydrophobicContact CD2-CB 3.62Å; Y35-A90 HydrophobicContact CE1-CB 4.01Å; Y35-A90 HydrophobicContact CE2-CB 3.56Å; Y35-A90 HydrophobicContact CG-CB 3.87Å
36L97.2Very high96.3Very high96 Ų9669.7 Ų69.750%0.50334%0.34SS..Hα-helixtrans-61.8-40174.1179.762.3000111.8D32 R33 F34D32-L36 PolarHBondContact O-N 2.83Å; R33-L36 WeakPolarHBondContact O-CB 3.4Å; R33-L36 PolarHBondContact O-N 3.03Å; F34-L36 VanDerWaalsContact C-N 3.32Å; F34-L36 PolarHBondContact O-N 3.29Å
37R97Very high96.1Very high175 Ų17572.1 Ų72.166%0.6635%0.35SS*.Hα-helixtrans-78.6-33.1-177.8-70.2171.4-179.4176.4-1112.8R33 F34 Y35R33-R37 WeakPolarHBondContact O-CG 3.49Å; R33-R37 PolarHBondContact O-N 2.97Å; F34-R37 PolarHBondContact O-N 3.49Å; Y35-R37 VanDerWaalsContact C-N 3.29Å; Y35-R37 PolarHBondContact O-N 2.89Å
38N96.5Very high95.7Very high49 Ų4975.2 Ų75.226%0.26236%0.359SS..Hα-helixtrans-109.6-14.9-168.4-67.3-76.3000114.5F34 Y35 T40 A41 F42F34-N38 WeakPolarHBondContact O-CB 3.2Å; F34-N38 PolarHBondContact O-N 3.49Å; F34-N38 VanDerWaalsContact O-N 3.07Å; F34-N38 PolarHBondContact O-ND2 3.47Å; Y35-N38 PolarHBondContact O-N 3.18Å; N38-T40 PolarHBondContact O-N 3.35Å; N38-T40 VanDerWaalsContact O-N 3.14Å; N38-A41 PolarHBondContact O-N 2.87Å; N38-A41 VanDerWaalsContact O-N 3.09Å; N38-F42 HydrophobicContact CB-CB 3.92Å; N38-F42 HydrophobicContact CB-CD2 4.47Å; N38-F42 WeakPolarHBondContact OD1-CD2 3.2Å
39S96.4Very high95.3Very high51 Ų5172.2 Ų72.236%0.35735%0.347SS..THydrogen-bonded Turntrans48.6-117.2-175.5-55.80000111.1Y35Y35-S39 VanDerWaalsContact O-CA 3.31Å; Y35-S39 WeakPolarHBondContact O-CA 3.41Å; Y35-S39 PolarHBondContact O-N 3.15Å
40T94.8Very high94.8Very high78 Ų7873 Ų7348%0.47935%0.347SS..THydrogen-bonded Turntrans-1072.7-178.756.70000114.2N38 V65 Y93N38-T40 PolarHBondContact O-N 3.35Å; N38-T40 VanDerWaalsContact O-N 3.14Å; T40-V65 HydrophobicContact CG2-CB 4.13Å; T40-V65 HydrophobicContact CG2-CG1 4.22Å; T40-V65 HydrophobicContact CG2-CG2 4.3Å; T40-Y93 HydrophobicContact CG2-CD1 4.34Å; T40-Y93 HydrophobicContact CG2-CG 4.1Å
41A93.3Very high94.3Very high93 Ų9379.3 Ų79.377%0.76938%0.381SS*.SBendtrans-90.5-13.5-167.400000114.5N38N38-A41 PolarHBondContact O-N 2.87Å; N38-A41 VanDerWaalsContact O-N 3.09Å
42F92.4Very high93.5Very high112 Ų11284.2 Ų84.249%0.49141%0.405SS..SBendtrans-76.2-47.2-171-171.6-86000113.6F34 N38F34-F42 HydrophobicContact CE1-CD1 4.45Å; F34-F42 HydrophobicContact CE1-CG 4.44Å; F34-F42 HydrophobicContact CE2-CD1 4.32Å; F34-F42 AromaticContact CE2-CD2 3.97Å; F34-F42 HydrophobicContact CE2-CD2 3.97Å; F34-F42 HydrophobicContact CE2-CE1 4.18Å; F34-F42 AromaticContact CE2-CE2 3.82Å; F34-F42 HydrophobicContact CE2-CE2 3.82Å; F34-F42 HydrophobicContact CE2-CG 4.21Å; F34-F42 AromaticContact CE2-CZ 3.92Å; F34-F42 HydrophobicContact CE2-CZ 3.92Å; F34-F42 HydrophobicContact CZ-CB 4.13Å; F34-F42 AromaticContact CZ-CD1 3.52Å; F34-F42 HydrophobicContact CZ-CD1 3.52Å; F34-F42 AromaticContact CZ-CD2 3.77Å; F34-F42 HydrophobicContact CZ-CD2 3.77Å; F34-F42 AromaticContact CZ-CE1 3.72Å; F34-F42 HydrophobicContact CZ-CE1 3.72Å; F34-F42 AromaticContact CZ-CE2 3.96Å; F34-F42 HydrophobicContact CZ-CE2 3.96Å; F34-F42 AromaticContact CZ-CG 3.53Å; F34-F42 HydrophobicContact CZ-CG 3.53Å; F34-F42 AromaticContact CZ-CZ 3.93Å; F34-F42 HydrophobicContact CZ-CZ 3.93Å; N38-F42 HydrophobicContact CB-CB 3.92Å; N38-F42 HydrophobicContact CB-CD2 4.47Å; N38-F42 WeakPolarHBondContact OD1-CD2 3.2Å
43F92.4Very high93.1Very high53 Ų5384 Ų8423%0.23240%0.403CS..SBendtrans-94.5141.7-177.1-62.4-67.5000110.6F34 Y35 N67F34-F43 AromaticContact CE1-CE2 3.75Å; F34-F43 HydrophobicContact CE1-CE2 3.75Å; F34-F43 HydrophobicContact CE1-CZ 4.11Å; F34-F43 HydrophobicContact CZ-CE2 4.03Å; F34-F43 HydrophobicContact CZ-CZ 4.02Å; Y35-F43 HydrophobicContact CE1-CE2 4.29Å; F43-N67 HydrophobicContact CB-CB 4.44Å; F43-N67 WeakPolarHBondContact CB-OD1 3.42Å; F43-N67 PolarHBondContact O-ND2 3.14Å
44K92.3Very high92.6Very high181 Ų18186.4 Ų86.479%0.78742%0.42SS*.PPolyproline II helixtrans-91.1151.9174.4-63.3-176.9-179.5-179.70110.5R46K44-R46 PolarHBondContact O-N 3.12Å
45N95.4Very high92.5Very high77 Ų7787.2 Ų87.241%0.41243%0.428SS..PPolyproline II helixtrans-57.1135.7172.6-75.3-3000111.8H47 N67 P71N45-H47 WeakPolarHBondContact CB-NE2 3.35Å; N45-N67 CarbonylContact C-O 3.6Å; N45-N67 WeakPolarHBondContact CA-O 3.36Å; N45-N67 PolarHBondContact OD1-ND2 2.83Å; N45-P71 HydrophobicContact CB-CG 3.68Å
46R94.1Very high92.4Very high36 Ų3693.5 Ų93.514%0.13646%0.455CS..  trans-105.396.2-174.3-65.6-175.2-178.691.2-3.9110K44 P49 N67 L68K44-R46 PolarHBondContact O-N 3.12Å; R46-P49 WeakPolarHBondContact O-CD 3.43Å; R46-N67 PolarHBondContact N-O 3.43Å; R46-L68 HydrophobicContact CB-CB 4.47Å; R46-L68 HydrophobicContact CB-CD1 4Å
47H93.8Very high92.4Very high80 Ų8090.2 Ų90.237%0.3744%0.439SS..  trans-93.4-11.9-178.2-60.2-86.9000114.4N45 R50 Y75N45-H47 WeakPolarHBondContact CB-NE2 3.35Å; H47-R50 VanDerWaalsContact O-CB 3.3Å; H47-R50 WeakPolarHBondContact O-CB 3.42Å; H47-R50 PolarHBondContact O-N 3.46Å; H47-Y75 HydrophobicContact CB-CE2 4.37Å; H47-Y75 AromaticContact ND1-CE2 3.53Å; H47-Y75 AromaticContact ND1-CZ 3.54Å; H47-Y75 PolarHBondContact ND1-OH 2.62Å
48W91Very high92.5Very high75 Ų7581.9 Ų81.928%0.28441%0.407SS..G310 helixtrans-59.9-27-176.758.2-97.8000116.4R50 V127 F159W48-R50 VanDerWaalsContact C-N 3.26Å; W48-R50 PolarHBondContact O-N 3.03Å; W48-V127 HydrophobicContact CH2-CG2 4.25Å; W48-V127 HydrophobicContact CZ2-CG1 4.03Å; W48-V127 HydrophobicContact CZ2-CG2 4.31Å; W48-F159 HydrophobicContact CH2-CD1 4.46Å; W48-F159 AromaticContact CH2-CE1 3.45Å; W48-F159 HydrophobicContact CH2-CE1 3.45Å; W48-F159 VanDerWaalsContact CH2-CE1 3.45Å; W48-F159 AromaticContact CH2-CZ 3.74Å; W48-F159 HydrophobicContact CH2-CZ 3.74Å; W48-F159 AromaticContact CZ3-CE1 3.77Å; W48-F159 HydrophobicContact CZ3-CE1 3.77Å; W48-F159 AromaticContact CZ3-CZ 3.53Å; W48-F159 HydrophobicContact CZ3-CZ 3.53Å
49P88.3Confident92.6Very high15 Ų1579.6 Ų79.610%0.09740%0.395CS..G310 helixtrans-77.4-9.81796.84.9000113.5R46 N51 E52 F53 L68R46-P49 WeakPolarHBondContact O-CD 3.43Å; P49-N51 VanDerWaalsContact C-N 3.25Å; P49-N51 PolarHBondContact O-N 2.95Å; P49-N51 VanDerWaalsContact O-N 3.09Å; P49-E52 PolarHBondContact O-N 3.45Å; P49-E52 VanDerWaalsContact O-N 3.08Å; P49-F53 VanDerWaalsContact O-CB 3.31Å; P49-F53 WeakPolarHBondContact O-CB 3.24Å; P49-F53 PolarHBondContact O-N 3.07Å; P49-L68 HydrophobicContact CG-CD1 3.42Å; P49-L68 VanDerWaalsContact CG-CD1 3.42Å
50R88.7Confident92.7Very high127 Ų12777.3 Ų77.348%0.47938%0.379SS..G310 helixtrans-48.3-43.4-173.4178.9-172.1177.6-171.7-1.5113.8H47 W48 E52 Y75 F76H47-R50 VanDerWaalsContact O-CB 3.3Å; H47-R50 WeakPolarHBondContact O-CB 3.42Å; H47-R50 PolarHBondContact O-N 3.46Å; W48-R50 VanDerWaalsContact C-N 3.26Å; W48-R50 PolarHBondContact O-N 3.03Å; R50-E52 VanDerWaalsContact C-N 3.33Å; R50-E52 PolarHBondContact O-N 3.26Å; R50-Y75 HydrophobicContact CB-CD2 3.93Å; R50-Y75 HydrophobicContact CB-CE2 4.06Å; R50-Y75 HydrophobicContact CG-CD1 4.29Å; R50-Y75 HydrophobicContact CG-CD2 3.72Å; R50-Y75 HydrophobicContact CG-CE2 4.06Å; R50-Y75 HydrophobicContact CG-CG 3.85Å; R50-F76 WeakPolarHBondContact O-CZ 3.41Å
51N86Confident92.8Very high147 Ų14773.6 Ų73.679%0.78636%0.356SS*.G310 helixtrans-80.8-15.5-171.5-61-16.4000113.4P49P49-N51 VanDerWaalsContact C-N 3.25Å; P49-N51 PolarHBondContact O-N 2.95Å; P49-N51 VanDerWaalsContact O-N 3.09Å
52E81.8Confident93.1Very high143 Ų14370.1 Ų70.167%0.66833%0.33SS*.THydrogen-bonded Turntrans-115.6-1.8-175.1-63.8173.5-150.500112.1P49 R50P49-E52 PolarHBondContact O-N 3.45Å; P49-E52 VanDerWaalsContact O-N 3.08Å; R50-E52 VanDerWaalsContact C-N 3.33Å; R50-E52 PolarHBondContact O-N 3.26Å
53F89Confident93.4Very high28 Ų2865 Ų6512%0.12331%0.307CS..  trans-84.8119.6-174.5-174-93.9000111.1P49 A55 L58 L72 F76 L79P49-F53 VanDerWaalsContact O-CB 3.31Å; P49-F53 WeakPolarHBondContact O-CB 3.24Å; P49-F53 PolarHBondContact O-N 3.07Å; F53-A55 HydrophobicContact CE1-CB 4.07Å; F53-A55 HydrophobicContact CE2-CB 4.28Å; F53-A55 HydrophobicContact CZ-CB 3.72Å; F53-L58 HydrophobicContact CE2-CD1 4.16Å; F53-L58 HydrophobicContact CE2-CD2 4.3Å; F53-L58 HydrophobicContact CZ-CB 4.14Å; F53-L58 HydrophobicContact CZ-CD2 4.35Å; F53-L72 HydrophobicContact CB-CD2 4.27Å; F53-L72 HydrophobicContact CD1-CD2 4.36Å; F53-L72 HydrophobicContact CD2-CD1 4.17Å; F53-L72 HydrophobicContact CD2-CD2 4.31Å; F53-L72 HydrophobicContact CE2-CD1 4.06Å; F53-L72 HydrophobicContact CG-CD2 4.04Å; F53-L72 HydrophobicContact CZ-CD1 4.42Å; F53-F76 HydrophobicContact CB-CE2 3.87Å; F53-F76 HydrophobicContact CB-CZ 4.03Å; F53-F76 AromaticContact CD1-CD2 3.62Å; F53-F76 HydrophobicContact CD1-CD2 3.62Å; F53-F76 AromaticContact CD1-CE2 3.51Å; F53-F76 HydrophobicContact CD1-CE2 3.51Å; F53-F76 HydrophobicContact CD1-CG 4.2Å; F53-F76 AromaticContact CD1-CZ 3.98Å; F53-F76 HydrophobicContact CD1-CZ 3.98Å; F53-F76 HydrophobicContact CE1-CD2 4.14Å; F53-F76 HydrophobicContact CE1-CE2 4.45Å; F53-F76 HydrophobicContact CG-CE2 4.04Å; F53-F76 HydrophobicContact CG-CZ 4.49Å; F53-L79 HydrophobicContact CE1-CD1 3.76Å; F53-L79 HydrophobicContact CE1-CD2 3.77Å; F53-L79 HydrophobicContact CE1-CG 4.33Å; F53-L79 HydrophobicContact CZ-CD1 3.69Å; F53-L79 HydrophobicContact CZ-CD2 3.88Å; F53-L79 HydrophobicContact CZ-CG 4.44Å
54E89.3Confident93.6Very high181 Ų18162.6 Ų62.685%0.84630%0.298SS*.  trans-139.499.9176.8-171.4-175.7179.600108.5
55A94.4Very high93.9Very high24 Ų2454.3 Ų54.320%0.19826%0.262CS..  trans-166.2151.9176.800000110.2F53 D122 V123F53-A55 HydrophobicContact CE1-CB 4.07Å; F53-A55 HydrophobicContact CE2-CB 4.28Å; F53-A55 HydrophobicContact CZ-CB 3.72Å; A55-D122 HydrophobicContact CB-CB 3.83Å; A55-V123 HydrophobicContact CB-CB 4.16Å; A55-V123 HydrophobicContact CB-CG2 3.82Å
56K96.5Very high94Very high143 Ų14350.7 Ų50.762%0.62224%0.243SC*.SBendtrans-96.5-29.2169.6-65.7-172.9175.6-171.30111.8F80 D122K56-F80 PolarHBondContact O-N 2.98Å; K56-D122 WeakPolarHBondContact CA-OD2 3.36Å; K56-D122 PolarHBondContact N-OD2 3.31Å
57V98Very high94.1Very high26 Ų2649.7 Ų49.716%0.15824%0.24CC..EExtended strand (participates in β ladder)trans-128.4115.1179.2-173.40000110.3F80 Y82 S120 V121 D122 V123V57-F80 CarbonylContact C-O 3.57Å; V57-F80 WeakPolarHBondContact CA-O 3.19Å; V57-F80 HydrophobicContact CG1-CD1 4.32Å; V57-Y82 HydrophobicContact CG1-CD2 3.98Å; V57-Y82 HydrophobicContact CG1-CE2 3.87Å; V57-S120 WeakPolarHBondContact CB-O 3.41Å; V57-S120 WeakPolarHBondContact CG1-O 3.36Å; V57-V121 HydrophobicContact CG1-CG2 4.29Å; V57-D122 PolarHBondContact N-OD2 3.01Å; V57-D122 WeakPolarHBondContact O-CB 3.12Å; V57-D122 PolarHBondContact O-N 2.69Å; V57-V123 PolarHBondContact O-N 3.41Å
58L98.1Very high94.2Very high0 Ų046 Ų460%022%0.223CC..EExtended strand (participates in β ladder)trans-103.6138.6176170.767.5000110.6F53 L72 L79 F80 V81 Y82 V123 T125F53-L58 HydrophobicContact CE2-CD1 4.16Å; F53-L58 HydrophobicContact CE2-CD2 4.3Å; F53-L58 HydrophobicContact CZ-CB 4.14Å; F53-L58 HydrophobicContact CZ-CD2 4.35Å; L58-L72 HydrophobicContact CD2-CD1 3.75Å; L58-L79 HydrophobicContact CB-CD1 3.9Å; L58-F80 PolarHBondContact N-O 2.66Å; L58-V81 HydrophobicContact CB-CG2 4.35Å; L58-V81 HydrophobicContact CD2-CG1 4.21Å; L58-V81 HydrophobicContact CD2-CG2 4.2Å; L58-V81 HydrophobicContact CG-CG1 4.42Å; L58-V81 CarbonylContact O-C 3.51Å; L58-V81 WeakPolarHBondContact O-CA 3.04Å; L58-Y82 PolarHBondContact O-N 3.01Å; L58-V123 CarbonylContact C-O 3.57Å; L58-V123 WeakPolarHBondContact CA-O 3.25Å; L58-V123 HydrophobicContact CD1-CB 4.48Å; L58-V123 HydrophobicContact CD1-CG1 4.27Å; L58-V123 WeakPolarHBondContact CD1-O 3.12Å; L58-T125 HydrophobicContact CD1-CG2 3.55Å
59L98.3Very high94.5Very high1 Ų142.4 Ų42.41%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-107.1111.4158.5171.656.1000108.9Y82 L112 I116 V121 V123 C124 T125 V151L59-Y82 CarbonylContact C-O 3.51Å; L59-Y82 VanDerWaalsContact CA-O 3.31Å; L59-Y82 WeakPolarHBondContact CA-O 3.31Å; L59-Y82 WeakPolarHBondContact CD1-O 3.29Å; L59-L112 HydrophobicContact CD2-CD1 3.99Å; L59-L112 HydrophobicContact CD2-CD2 4.06Å; L59-I116 HydrophobicContact CD1-CD1 3.59Å; L59-I116 HydrophobicContact CD2-CD1 3.88Å; L59-I116 HydrophobicContact CG-CD1 4.26Å; L59-V121 HydrophobicContact CB-CG1 3.65Å; L59-V121 HydrophobicContact CB-CG2 4.05Å; L59-V123 PolarHBondContact N-O 2.92Å; L59-C124 HydrophobicContact CB-CB 4.48Å; L59-C124 CarbonylContact O-C 3.58Å; L59-C124 VanDerWaalsContact O-CA 3.28Å; L59-C124 WeakPolarHBondContact O-CA 3.41Å; L59-T125 PolarHBondContact O-N 2.95Å; L59-V151 HydrophobicContact CD2-CG2 3.85Å
60E98.2Very high94.9Very high4 Ų444.3 Ų44.32%0.01922%0.217CC..EExtended strand (participates in β ladder)trans-91.2100.1168.7-172.7-178.7174.200109.6C63 L68 A69 Y82 C84 T125E60-C63 HydrophobicContact CB-CB 4.17Å; E60-C63 HydrophobicContact CG-CB 3.73Å; E60-C63 WeakPolarHBondContact OE1-CA 3.46Å; E60-L68 HydrophobicContact CG-CD2 4.22Å; E60-L68 VanDerWaalsContact OE1-CB 3.3Å; E60-L68 WeakPolarHBondContact OE1-CB 3.36Å; E60-A69 WeakPolarHBondContact OE2-CA 3.46Å; E60-A69 WeakPolarHBondContact OE2-CB 3.42Å; E60-A69 PolarHBondContact OE2-N 2.98Å; E60-Y82 PolarHBondContact N-O 3.35Å; E60-C84 PolarHBondContact O-N 2.86Å; E60-T125 WeakPolarHBondContact CA-OG1 3.3Å
61C98.4Very high95.2Very high0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-79.8135.2171.9-70.40000109.8L107 C124 T125 L126 V129C61-L107 HydrophobicContact CB-CD1 3.8Å; C61-L107 HydrophobicContact CB-CD2 4.14Å; C61-C124 VanDerWaalsContact SG-SG 3.6Å; C61-T125 WeakPolarHBondContact CB-O 3.25Å; C61-T125 PolarHBondContact N-O 3.04Å; C61-L126 HydrophobicContact CB-CD2 3.53Å; C61-L126 HydrophobicContact CB-CG 4.28Å; C61-V129 WeakPolarHBondContact O-CG2 3.33Å
62G98.2Very high95.7Very high20 Ų2031.4 Ų31.421%0.20616%0.157CC..THydrogen-bonded Turntrans63.847.6-174.400000112.2G64 C84 D85G62-G64 PolarHBondContact O-N 3.13Å; G62-C84 CarbonylContact C-O 3.52Å; G62-C84 VanDerWaalsContact CA-O 3.31Å; G62-C84 WeakPolarHBondContact CA-O 3.39Å; G62-C84 PolarHBondContact N-O 3.09Å; G62-D85 VanDerWaalsContact C-OD2 3.32Å
63C98.2Very high96.3Very high4 Ų426 Ų263%0.02713%0.133CC..  trans-67.1-15.8-172.167.30000114.3E60 V65 G66 A83 C84 D85E60-C63 HydrophobicContact CB-CB 4.17Å; E60-C63 HydrophobicContact CG-CB 3.73Å; E60-C63 WeakPolarHBondContact OE1-CA 3.46Å; C63-V65 PolarHBondContact O-N 3.32Å; C63-V65 VanDerWaalsContact O-N 3.14Å; C63-G66 PolarHBondContact O-N 3.17Å; C63-A83 HydrophobicContact CB-CB 3.92Å; C63-C84 PolarHBondContact N-O 2.8Å; C63-D85 PolarHBondContact N-OD2 3.33Å
64G97.9Very high96.6Very high3 Ų331.1 Ų31.13%0.03116%0.157CC..THydrogen-bonded Turntrans52.4-119.8-167.500000110.6Y35 G62 D85 V94Y35-G64 WeakPolarHBondContact OH-CA 3.44Å; G62-G64 PolarHBondContact O-N 3.13Å; G64-D85 VanDerWaalsContact CA-OD2 3.29Å; G64-D85 WeakPolarHBondContact CA-OD2 3.46Å; G64-D85 PolarHBondContact N-OD2 2.87Å; G64-V94 WeakPolarHBondContact O-CG2 3.31Å
65V97.4Very high96.9Very high7 Ų725.9 Ų25.94%0.04213%0.13CC..THydrogen-bonded Turntrans-10018.5178.4-550000113.1Y35 T40 C63 N67 F70 Y93Y35-V65 HydrophobicContact CD1-CG1 3.82Å; Y35-V65 HydrophobicContact CE1-CG1 3.85Å; T40-V65 HydrophobicContact CG2-CB 4.13Å; T40-V65 HydrophobicContact CG2-CG1 4.22Å; T40-V65 HydrophobicContact CG2-CG2 4.3Å; C63-V65 PolarHBondContact O-N 3.32Å; C63-V65 VanDerWaalsContact O-N 3.14Å; V65-N67 WeakPolarHBondContact CG2-OD1 3.35Å; V65-F70 WeakPolarHBondContact O-CE2 3.34Å; V65-Y93 HydrophobicContact CG1-CD2 3.99Å; V65-Y93 HydrophobicContact CG1-CG 4.28Å
66G97.3Very high97Very high0 Ų027.6 Ų27.60%013%0.133CC..THydrogen-bonded Turntrans87.418.7170.500000116C63 L68 A69 F70C63-G66 PolarHBondContact O-N 3.17Å; G66-L68 PolarHBondContact O-N 3.37Å; G66-A69 PolarHBondContact O-N 3.31Å; G66-F70 WeakPolarHBondContact O-CD2 3.47Å; G66-F70 PolarHBondContact O-N 3.28Å
67N97Very high96.8Very high15 Ų1526 Ų268%0.0814%0.137CC..THydrogen-bonded Turntrans-65.7-7.1-177.2-66.5106.7000115F43 N45 R46 V65 P71F43-N67 HydrophobicContact CB-CB 4.44Å; F43-N67 WeakPolarHBondContact CB-OD1 3.42Å; F43-N67 PolarHBondContact O-ND2 3.14Å; N45-N67 CarbonylContact C-O 3.6Å; N45-N67 WeakPolarHBondContact CA-O 3.36Å; N45-N67 PolarHBondContact OD1-ND2 2.83Å; R46-N67 PolarHBondContact N-O 3.43Å; V65-N67 WeakPolarHBondContact CG2-OD1 3.35Å; N67-P71 WeakPolarHBondContact O-CG 3.43Å
68L96.8Very high96.6Very high2 Ų232.6 Ų32.61%0.0117%0.166CC..THydrogen-bonded Turntrans-102.6-48.1168175.267.9000110.7R46 P49 E60 G66 F70 P71 L72 V127R46-L68 HydrophobicContact CB-CB 4.47Å; R46-L68 HydrophobicContact CB-CD1 4Å; P49-L68 HydrophobicContact CG-CD1 3.42Å; P49-L68 VanDerWaalsContact CG-CD1 3.42Å; E60-L68 HydrophobicContact CG-CD2 4.22Å; E60-L68 VanDerWaalsContact OE1-CB 3.3Å; E60-L68 WeakPolarHBondContact OE1-CB 3.36Å; G66-L68 PolarHBondContact O-N 3.37Å; L68-F70 PolarHBondContact O-N 2.93Å; L68-P71 WeakPolarHBondContact O-CD 3.37Å; L68-L72 HydrophobicContact CD1-CD1 4.01Å; L68-L72 HydrophobicContact CD1-CG 4.4Å; L68-L72 HydrophobicContact CG-CD1 4.01Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 2.93Å; L68-V127 HydrophobicContact CD2-CB 4.41Å; L68-V127 HydrophobicContact CD2-CG2 3.93Å
69A96.5Very high96.6Very high0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-52.6-51.8176.900000113.9E60 G66 L72 L73 V81 L100E60-A69 WeakPolarHBondContact OE2-CA 3.46Å; E60-A69 WeakPolarHBondContact OE2-CB 3.42Å; E60-A69 PolarHBondContact OE2-N 2.98Å; G66-A69 PolarHBondContact O-N 3.31Å; A69-L72 PolarHBondContact O-N 3.42Å; A69-L72 VanDerWaalsContact O-N 3.16Å; A69-L73 WeakPolarHBondContact O-CG 3.18Å; A69-L73 PolarHBondContact O-N 3.2Å; A69-V81 HydrophobicContact CB-CG1 3.93Å; A69-L100 HydrophobicContact CB-CD1 3.87Å
70F96Very high96.6Very high56 Ų5635.2 Ų35.225%0.24618%0.178CC..Hα-helixtrans-62.6-48.8-173.7-66.6-58.2000112.9V65 G66 L68 L72 L73 E74 V94 K95 L100V65-F70 WeakPolarHBondContact O-CE2 3.34Å; G66-F70 WeakPolarHBondContact O-CD2 3.47Å; G66-F70 PolarHBondContact O-N 3.28Å; L68-F70 PolarHBondContact O-N 2.93Å; F70-L72 VanDerWaalsContact C-N 3.3Å; F70-L72 PolarHBondContact O-N 2.83Å; F70-L73 PolarHBondContact O-N 2.87Å; F70-E74 PolarHBondContact O-N 2.82Å; F70-E74 VanDerWaalsContact O-N 3.14Å; F70-V94 HydrophobicContact CZ-CG1 4.14Å; F70-K95 HydrophobicContact CZ-CB 4.22Å; F70-L100 HydrophobicContact CD1-CD1 4.36Å; F70-L100 HydrophobicContact CE1-CD1 3.92Å; F70-L100 HydrophobicContact CZ-CD1 4.36Å
71P95.6Very high96.6Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-57-38.6171.9-29.437.1000114.5N45 N67 L68 E74 Y75N45-P71 HydrophobicContact CB-CG 3.68Å; N67-P71 WeakPolarHBondContact O-CG 3.43Å; L68-P71 WeakPolarHBondContact O-CD 3.37Å; P71-E74 PolarHBondContact O-N 3.2Å; P71-Y75 HydrophobicContact CB-CE2 4.35Å; P71-Y75 WeakPolarHBondContact O-CD2 3.45Å; P71-Y75 PolarHBondContact O-N 3.3Å
72L96.1Very high96.6Very high3 Ų336.4 Ų36.42%0.01618%0.182CC..Hα-helixtrans-67.6-40.2179.1-71.4176.1000111.8F53 L58 L68 A69 F70 E74 Y75 F76 L79F53-L72 HydrophobicContact CB-CD2 4.27Å; F53-L72 HydrophobicContact CD1-CD2 4.36Å; F53-L72 HydrophobicContact CD2-CD1 4.17Å; F53-L72 HydrophobicContact CD2-CD2 4.31Å; F53-L72 HydrophobicContact CE2-CD1 4.06Å; F53-L72 HydrophobicContact CG-CD2 4.04Å; F53-L72 HydrophobicContact CZ-CD1 4.42Å; L58-L72 HydrophobicContact CD2-CD1 3.75Å; L68-L72 HydrophobicContact CD1-CD1 4.01Å; L68-L72 HydrophobicContact CD1-CG 4.4Å; L68-L72 HydrophobicContact CG-CD1 4.01Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 2.93Å; A69-L72 PolarHBondContact O-N 3.42Å; A69-L72 VanDerWaalsContact O-N 3.16Å; F70-L72 VanDerWaalsContact C-N 3.3Å; F70-L72 PolarHBondContact O-N 2.83Å; L72-E74 VanDerWaalsContact C-N 3.27Å; L72-E74 PolarHBondContact O-N 2.79Å; L72-Y75 PolarHBondContact O-N 2.78Å; L72-Y75 VanDerWaalsContact O-N 3.13Å; L72-F76 HydrophobicContact CD2-CD2 4.22Å; L72-F76 HydrophobicContact CD2-CE2 3.96Å; L72-F76 WeakPolarHBondContact O-CD2 3.46Å; L72-F76 PolarHBondContact O-N 2.92Å; L72-L79 HydrophobicContact CB-CD2 3.76Å
73L96Very high96.6Very high30 Ų3035.4 Ų35.416%0.15717%0.172CC..Hα-helixtrans-62.8-33175.1-74.3168.7000112.8A69 F70 L79 V81 L100A69-L73 WeakPolarHBondContact O-CG 3.18Å; A69-L73 PolarHBondContact O-N 3.2Å; F70-L73 PolarHBondContact O-N 2.87Å; L73-L79 HydrophobicContact CD2-CB 4.3Å; L73-L79 HydrophobicContact CD2-CG 4.37Å; L73-L79 VanDerWaalsContact CD2-O 3.23Å; L73-L79 WeakPolarHBondContact CD2-O 3.38Å; L73-V81 HydrophobicContact CD1-CG2 4.24Å; L73-V81 HydrophobicContact CD2-CG2 3.86Å; L73-V81 HydrophobicContact CG-CG2 3.94Å; L73-L100 HydrophobicContact CD1-CB 3.99Å; L73-L100 HydrophobicContact CD1-CD1 3.74Å; L73-L100 HydrophobicContact CD1-CG 4.42Å
74E94.6Very high96.6Very high135 Ų13535.2 Ų35.263%0.63117%0.171SC*.Hα-helixtrans-67.3-36.3172.9-70.3173.2-171.300112.3F70 P71 L72F70-E74 PolarHBondContact O-N 2.82Å; F70-E74 VanDerWaalsContact O-N 3.14Å; P71-E74 PolarHBondContact O-N 3.2Å; L72-E74 VanDerWaalsContact C-N 3.27Å; L72-E74 PolarHBondContact O-N 2.79Å
75Y95.1Very high96.7Very high71 Ų7135.6 Ų35.628%0.27817%0.172SC..Hα-helixtrans-82.9-27.8-179.6-64.5-46.3000114H47 R50 P71 L72H47-Y75 HydrophobicContact CB-CE2 4.37Å; H47-Y75 AromaticContact ND1-CE2 3.53Å; H47-Y75 AromaticContact ND1-CZ 3.54Å; H47-Y75 PolarHBondContact ND1-OH 2.62Å; R50-Y75 HydrophobicContact CB-CD2 3.93Å; R50-Y75 HydrophobicContact CB-CE2 4.06Å; R50-Y75 HydrophobicContact CG-CD1 4.29Å; R50-Y75 HydrophobicContact CG-CD2 3.72Å; R50-Y75 HydrophobicContact CG-CE2 4.06Å; R50-Y75 HydrophobicContact CG-CG 3.85Å; P71-Y75 HydrophobicContact CB-CE2 4.35Å; P71-Y75 WeakPolarHBondContact O-CD2 3.45Å; P71-Y75 PolarHBondContact O-N 3.3Å; L72-Y75 PolarHBondContact O-N 2.78Å; L72-Y75 VanDerWaalsContact O-N 3.13Å
76F96Very high96.7Very high59 Ų5937.9 Ų37.926%0.25918%0.182SC..  trans-130.386.7-172.6-57.2-74000110.3R50 F53 L72 E78 L79R50-F76 WeakPolarHBondContact O-CZ 3.41Å; F53-F76 HydrophobicContact CB-CE2 3.87Å; F53-F76 HydrophobicContact CB-CZ 4.03Å; F53-F76 AromaticContact CD1-CD2 3.62Å; F53-F76 HydrophobicContact CD1-CD2 3.62Å; F53-F76 AromaticContact CD1-CE2 3.51Å; F53-F76 HydrophobicContact CD1-CE2 3.51Å; F53-F76 HydrophobicContact CD1-CG 4.2Å; F53-F76 AromaticContact CD1-CZ 3.98Å; F53-F76 HydrophobicContact CD1-CZ 3.98Å; F53-F76 HydrophobicContact CE1-CD2 4.14Å; F53-F76 HydrophobicContact CE1-CE2 4.45Å; F53-F76 HydrophobicContact CG-CE2 4.04Å; F53-F76 HydrophobicContact CG-CZ 4.49Å; L72-F76 HydrophobicContact CD2-CD2 4.22Å; L72-F76 HydrophobicContact CD2-CE2 3.96Å; L72-F76 WeakPolarHBondContact O-CD2 3.46Å; L72-F76 PolarHBondContact O-N 2.92Å; F76-E78 PolarHBondContact O-N 2.82Å; F76-E78 VanDerWaalsContact O-N 3.13Å; F76-L79 HydrophobicContact CB-CB 3.84Å; F76-L79 WeakPolarHBondContact O-CB 3.45Å; F76-L79 PolarHBondContact O-N 3.01Å
77P92.3Very high96.7Very high111 Ų11137.9 Ų37.972%0.72118%0.182SC*.THydrogen-bonded Turntrans-60.9-24.8-175.6-26.635.8000115L79P77-L79 VanDerWaalsContact C-N 3.33Å
78E95.2Very high96.8Very high164 Ų16439.4 Ų39.477%0.76619%0.193SC*.THydrogen-bonded Turntrans-85.9-2.4177.1-59-168.414700113.6F76F76-E78 PolarHBondContact O-N 2.82Å; F76-E78 VanDerWaalsContact O-N 3.13Å
79L97.6Very high96.8Very high2 Ų242.2 Ų42.21%0.0120%0.203CC..  trans-73131.1-179.9178.462.1000110.6F53 L58 L72 L73 F76 P77 V81 S99F53-L79 HydrophobicContact CE1-CD1 3.76Å; F53-L79 HydrophobicContact CE1-CD2 3.77Å; F53-L79 HydrophobicContact CE1-CG 4.33Å; F53-L79 HydrophobicContact CZ-CD1 3.69Å; F53-L79 HydrophobicContact CZ-CD2 3.88Å; F53-L79 HydrophobicContact CZ-CG 4.44Å; L58-L79 HydrophobicContact CB-CD1 3.9Å; L72-L79 HydrophobicContact CB-CD2 3.76Å; L73-L79 HydrophobicContact CD2-CB 4.3Å; L73-L79 HydrophobicContact CD2-CG 4.37Å; L73-L79 VanDerWaalsContact CD2-O 3.23Å; L73-L79 WeakPolarHBondContact CD2-O 3.38Å; F76-L79 HydrophobicContact CB-CB 3.84Å; F76-L79 WeakPolarHBondContact O-CB 3.45Å; F76-L79 PolarHBondContact O-N 3.01Å; P77-L79 VanDerWaalsContact C-N 3.33Å; L79-V81 HydrophobicContact CD2-CG2 3.79Å; L79-V81 HydrophobicContact CG-CG2 3.81Å; L79-S99 WeakPolarHBondContact O-CB 3.1Å
80F98.3Very high96.9Very high53 Ų5342.2 Ų42.223%0.23220%0.203CC..EExtended strand (participates in β ladder)trans-103.1135.8164-171.5-85000110.3K56 V57 L58 Y82 S99 L101K56-F80 PolarHBondContact O-N 2.98Å; V57-F80 CarbonylContact C-O 3.57Å; V57-F80 WeakPolarHBondContact CA-O 3.19Å; V57-F80 HydrophobicContact CG1-CD1 4.32Å; L58-F80 PolarHBondContact N-O 2.66Å; F80-Y82 HydrophobicContact CD1-CD2 4.08Å; F80-Y82 AromaticContact CD1-CE2 3.86Å; F80-Y82 HydrophobicContact CD1-CE2 3.86Å; F80-Y82 AromaticContact CE1-CD1 3.92Å; F80-Y82 HydrophobicContact CE1-CD1 3.92Å; F80-Y82 AromaticContact CE1-CD2 3.84Å; F80-Y82 HydrophobicContact CE1-CD2 3.84Å; F80-Y82 AromaticContact CE1-CE1 3.63Å; F80-Y82 HydrophobicContact CE1-CE1 3.63Å; F80-Y82 AromaticContact CE1-CE2 3.53Å; F80-Y82 HydrophobicContact CE1-CE2 3.53Å; F80-Y82 HydrophobicContact CE1-CG 4.03Å; F80-Y82 AromaticContact CE1-CZ 3.41Å; F80-Y82 VanDerWaalsContact CE1-CZ 3.41Å; F80-Y82 HydrophobicContact CZ-CE1 4.22Å; F80-S99 CarbonylContact C-O 3.6Å; F80-S99 WeakPolarHBondContact CA-O 3.11Å; F80-L101 HydrophobicContact CZ-CB 4.36Å; F80-L101 HydrophobicContact CZ-CD1 3.75Å; F80-L101 HydrophobicContact CZ-CG 3.74Å
81V98.4Very high97Very high0 Ų040.4 Ų40.40%020%0.196CC..EExtended strand (participates in β ladder)trans-121.7123.1-178.1-1750000111.1L58 A69 L73 L79 A83 S99 L100 L101L58-V81 HydrophobicContact CB-CG2 4.35Å; L58-V81 HydrophobicContact CD2-CG1 4.21Å; L58-V81 HydrophobicContact CD2-CG2 4.2Å; L58-V81 HydrophobicContact CG-CG1 4.42Å; L58-V81 CarbonylContact O-C 3.51Å; L58-V81 WeakPolarHBondContact O-CA 3.04Å; A69-V81 HydrophobicContact CB-CG1 3.93Å; L73-V81 HydrophobicContact CD1-CG2 4.24Å; L73-V81 HydrophobicContact CD2-CG2 3.86Å; L73-V81 HydrophobicContact CG-CG2 3.94Å; L79-V81 HydrophobicContact CD2-CG2 3.79Å; L79-V81 HydrophobicContact CG-CG2 3.81Å; V81-A83 HydrophobicContact CG1-CB 4.3Å; V81-S99 PolarHBondContact N-O 2.86Å; V81-L100 HydrophobicContact CB-CG 4.26Å; V81-L100 CarbonylContact O-C 3.53Å; V81-L100 VanDerWaalsContact O-CA 3.3Å; V81-L100 WeakPolarHBondContact O-CA 3.31Å; V81-L101 PolarHBondContact O-N 2.64Å
82Y98.5Very high97.1Very high29 Ų2947.1 Ų47.111%0.11423%0.227CC..EExtended strand (participates in β ladder)trans-89.5120.7155.7-66.4-75.5000108.3V57 L58 L59 E60 F80 L101 F103 I116 P117 V121V57-Y82 HydrophobicContact CG1-CD2 3.98Å; V57-Y82 HydrophobicContact CG1-CE2 3.87Å; L58-Y82 PolarHBondContact O-N 3.01Å; L59-Y82 CarbonylContact C-O 3.51Å; L59-Y82 VanDerWaalsContact CA-O 3.31Å; L59-Y82 WeakPolarHBondContact CA-O 3.31Å; L59-Y82 WeakPolarHBondContact CD1-O 3.29Å; E60-Y82 PolarHBondContact N-O 3.35Å; F80-Y82 HydrophobicContact CD1-CD2 4.08Å; F80-Y82 AromaticContact CD1-CE2 3.86Å; F80-Y82 HydrophobicContact CD1-CE2 3.86Å; F80-Y82 AromaticContact CE1-CD1 3.92Å; F80-Y82 HydrophobicContact CE1-CD1 3.92Å; F80-Y82 AromaticContact CE1-CD2 3.84Å; F80-Y82 HydrophobicContact CE1-CD2 3.84Å; F80-Y82 AromaticContact CE1-CE1 3.63Å; F80-Y82 HydrophobicContact CE1-CE1 3.63Å; F80-Y82 AromaticContact CE1-CE2 3.53Å; F80-Y82 HydrophobicContact CE1-CE2 3.53Å; F80-Y82 HydrophobicContact CE1-CG 4.03Å; F80-Y82 AromaticContact CE1-CZ 3.41Å; F80-Y82 VanDerWaalsContact CE1-CZ 3.41Å; F80-Y82 HydrophobicContact CZ-CE1 4.22Å; Y82-L101 CarbonylContact C-O 3.6Å; Y82-L101 WeakPolarHBondContact CA-O 3.41Å; Y82-L101 HydrophobicContact CD1-CB 4.18Å; Y82-L101 HydrophobicContact CE1-CB 4.45Å; Y82-L101 HydrophobicContact CE1-CD1 4.07Å; Y82-F103 HydrophobicContact CD1-CE1 4.35Å; Y82-I116 HydrophobicContact CD1-CD1 4.33Å; Y82-I116 HydrophobicContact CD1-CG1 3.79Å; Y82-I116 HydrophobicContact CD2-CD1 4.35Å; Y82-I116 HydrophobicContact CD2-CG1 4.33Å; Y82-I116 HydrophobicContact CD2-CG2 3.95Å; Y82-I116 HydrophobicContact CE1-CG1 4.17Å; Y82-I116 HydrophobicContact CE1-CG2 4.38Å; Y82-I116 HydrophobicContact CE2-CG2 3.76Å; Y82-I116 HydrophobicContact CG-CD1 3.93Å; Y82-I116 HydrophobicContact CG-CG1 3.87Å; Y82-I116 HydrophobicContact CG-CG2 4.33Å; Y82-P117 WeakPolarHBondContact OH-CD 3.48Å; Y82-V121 HydrophobicContact CD2-CG2 4.24Å
83A98.4Very high97.1Very high0 Ų050.8 Ų50.80%024%0.241CC..EExtended strand (participates in β ladder)trans-115.9119.8-179.700000109.6C63 V81 L100 L101 S102 F103C63-A83 HydrophobicContact CB-CB 3.92Å; V81-A83 HydrophobicContact CG1-CB 4.3Å; A83-L100 HydrophobicContact CB-CD2 4.26Å; A83-L101 PolarHBondContact N-O 3.34Å; A83-S102 CarbonylContact O-C 3.52Å; A83-S102 WeakPolarHBondContact O-CA 3.34Å; A83-F103 PolarHBondContact O-N 2.95Å; A83-F103 VanDerWaalsContact O-N 3.09Å
84C98.4Very high97.2Very high0 Ų049.7 Ų49.70%024%0.236CC..EExtended strand (participates in β ladder)trans-130.5149.3-179.372.10000112.9E60 G62 C63 F103 I105E60-C84 PolarHBondContact O-N 2.86Å; G62-C84 CarbonylContact C-O 3.52Å; G62-C84 VanDerWaalsContact CA-O 3.31Å; G62-C84 WeakPolarHBondContact CA-O 3.39Å; G62-C84 PolarHBondContact N-O 3.09Å; C63-C84 PolarHBondContact N-O 2.8Å; C84-F103 VanDerWaalsContact CA-O 3.25Å; C84-F103 WeakPolarHBondContact CA-O 3.47Å; C84-F103 HydrophobicContact CB-CD1 4.47Å; C84-F103 HydrophobicContact CB-CD2 3.84Å; C84-F103 HydrophobicContact CB-CE1 4.12Å; C84-F103 HydrophobicContact CB-CE2 3.42Å; C84-F103 VanDerWaalsContact CB-CE2 3.42Å; C84-F103 HydrophobicContact CB-CG 4.34Å; C84-F103 HydrophobicContact CB-CZ 3.57Å; C84-F103 WeakPolarHBondContact CB-O 3.4Å; C84-I105 HydrophobicContact CB-CG2 3.57Å; C84-I105 VanDerWaalsContact SG-CG2 3.51Å
85D98.7Very high97Very high11 Ų1150.9 Ų50.96%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-148.1154.6-177.9-158.4-82.2000110.5G62 C63 G64 S87 A90 I91 F103 T104 I105G62-D85 VanDerWaalsContact C-OD2 3.32Å; C63-D85 PolarHBondContact N-OD2 3.33Å; G64-D85 VanDerWaalsContact CA-OD2 3.29Å; G64-D85 WeakPolarHBondContact CA-OD2 3.46Å; G64-D85 PolarHBondContact N-OD2 2.87Å; D85-S87 VanDerWaalsContact C-N 3.3Å; D85-S87 WeakPolarHBondContact OD1-CB 3.44Å; D85-S87 PolarHBondContact OD1-N 3.03Å; D85-A90 HydrophobicContact CB-CB 4.14Å; D85-I91 HydrophobicContact CB-CD1 3.67Å; D85-I91 HydrophobicContact CB-CG1 3.98Å; D85-F103 PolarHBondContact N-O 2.8Å; D85-T104 CarbonylContact O-C 3.57Å; D85-T104 VanDerWaalsContact O-CA 3.31Å; D85-T104 WeakPolarHBondContact O-CA 3.34Å; D85-I105 PolarHBondContact O-N 3.38Å
86F98.1Very high96.6Very high54 Ų5451.4 Ų51.424%0.23725%0.25CC..SBendtrans-72.1-27.8177.9-172.9-141.9000112.2A27 Q28 P88 I105 D106A27-F86 HydrophobicContact CB-CE1 3.94Å; Q28-F86 HydrophobicContact CB-CD1 4.1Å; Q28-F86 HydrophobicContact CB-CD2 4.47Å; Q28-F86 HydrophobicContact CB-CE1 3.54Å; Q28-F86 HydrophobicContact CB-CE2 3.92Å; Q28-F86 HydrophobicContact CB-CZ 3.43Å; Q28-F86 VanDerWaalsContact CB-CZ 3.43Å; Q28-F86 HydrophobicContact CG-CD1 4.15Å; Q28-F86 HydrophobicContact CG-CD2 4.06Å; Q28-F86 HydrophobicContact CG-CE1 4.05Å; Q28-F86 HydrophobicContact CG-CE2 3.91Å; Q28-F86 HydrophobicContact CG-CG 4.18Å; Q28-F86 HydrophobicContact CG-CZ 3.93Å; Q28-F86 VanDerWaalsContact CG-O 3.3Å; Q28-F86 WeakPolarHBondContact CG-O 3.45Å; Q28-F86 PolarHBondContact NE2-O 2.93Å; F86-P88 WeakPolarHBondContact O-CD 3.47Å; F86-I105 WeakPolarHBondContact CA-O 3.49Å; F86-D106 HydrophobicContact CD2-CB 3.89Å; F86-D106 HydrophobicContact CE2-CB 3.71Å; F86-D106 VanDerWaalsContact CE2-CG 3.49Å; F86-D106 WeakPolarHBondContact CE2-OD2 3.48Å
87S98.1Very high96.4Very high0 Ų051.2 Ų51.20%025%0.254CS..  trans-89.9116.6-179.6170.50000111.6D32 Y35 D85 R89 A90 I91D32-S87 WeakPolarHBondContact CA-OG 3.45Å; Y35-S87 WeakPolarHBondContact CD2-OG 3.41Å; D85-S87 VanDerWaalsContact C-N 3.3Å; D85-S87 WeakPolarHBondContact OD1-CB 3.44Å; D85-S87 PolarHBondContact OD1-N 3.03Å; S87-R89 PolarHBondContact O-N 2.9Å; S87-R89 PolarHBondContact OG-N 3.43Å; S87-A90 WeakPolarHBondContact O-CB 3.49Å; S87-A90 PolarHBondContact O-N 2.81Å; S87-A90 VanDerWaalsContact O-N 3.11Å; S87-A90 PolarHBondContact OG-N 3.45Å; S87-A90 VanDerWaalsContact OG-N 3.09Å; S87-I91 PolarHBondContact O-N 2.86Å
88P97.9Very high96.4Very high48 Ų4853.7 Ų53.731%0.31226%0.259SS..Hα-helixtrans-54.5-38.9171-2230000112.7F86 I91 Q92 T104F86-P88 WeakPolarHBondContact O-CD 3.47Å; P88-I91 PolarHBondContact O-N 2.82Å; P88-Q92 WeakPolarHBondContact O-CG 3.44Å; P88-Q92 PolarHBondContact O-N 2.85Å; P88-T104 WeakPolarHBondContact CA-OG1 3.21Å; P88-T104 HydrophobicContact CB-CG2 4.49Å; P88-T104 HydrophobicContact CG-CG2 3.95Å
89R97.9Very high96.5Very high60 Ų6047.5 Ų47.523%0.22623%0.234CC..Hα-helixtrans-68.3-33178.5-174.1-179.1-51.4-70.6-9.5113.7D32 S87 I91 Q92 Y93D32-R89 WeakPolarHBondContact O-CD 3.15Å; D32-R89 PolarHBondContact O-NE 3.27Å; D32-R89 WeakPolarHBondContact OD1-CB 3.46Å; D32-R89 PolarHBondContact OD1-N 2.84Å; D32-R89 VanDerWaalsContact OD1-N 3.15Å; D32-R89 IonicContact OD1-NE 3.78Å; D32-R89 IonicContact OD2-CZ 2.95Å; D32-R89 IonicContact OD2-NE 2.74Å; D32-R89 PolarHBondContact OD2-NE 2.97Å; D32-R89 IonicContact OD2-NH2 3.85Å; D32-R89 PolarHBondContact OD2-NH2 3.2Å; S87-R89 PolarHBondContact O-N 2.9Å; S87-R89 PolarHBondContact OG-N 3.43Å; R89-I91 VanDerWaalsContact C-N 3.3Å; R89-Q92 WeakPolarHBondContact O-CB 3.38Å; R89-Q92 PolarHBondContact O-N 2.96Å; R89-Y93 HydrophobicContact CG-CD2 4.38Å; R89-Y93 HydrophobicContact CG-CE2 3.7Å; R89-Y93 WeakPolarHBondContact O-CD2 3.49Å; R89-Y93 PolarHBondContact O-N 3.3Å
90A98.1Very high96.5Very high0 Ų047.4 Ų47.40%023%0.233CC..Hα-helixtrans-60.2-47.6173.900000110Y35 D85 S87 Q92 Y93 V94Y35-A90 HydrophobicContact CD1-CB 4.06Å; Y35-A90 HydrophobicContact CD2-CB 3.62Å; Y35-A90 HydrophobicContact CE1-CB 4.01Å; Y35-A90 HydrophobicContact CE2-CB 3.56Å; Y35-A90 HydrophobicContact CG-CB 3.87Å; D85-A90 HydrophobicContact CB-CB 4.14Å; S87-A90 WeakPolarHBondContact O-CB 3.49Å; S87-A90 PolarHBondContact O-N 2.81Å; S87-A90 VanDerWaalsContact O-N 3.11Å; S87-A90 PolarHBondContact OG-N 3.45Å; S87-A90 VanDerWaalsContact OG-N 3.09Å; A90-Q92 VanDerWaalsContact C-N 3.32Å; A90-Q92 PolarHBondContact O-N 3.13Å; A90-Y93 WeakPolarHBondContact O-CB 3.36Å; A90-Y93 PolarHBondContact O-N 2.84Å; A90-V94 PolarHBondContact O-N 2.87Å
91I98.1Very high96.5Very high19 Ų1948.6 Ų48.610%0.09724%0.242CC..Hα-helixtrans-61.4-37.1177.4-62.1-57.8000112.3D85 S87 P88 R89 Y93 V94 F103D85-I91 HydrophobicContact CB-CD1 3.67Å; D85-I91 HydrophobicContact CB-CG1 3.98Å; S87-I91 PolarHBondContact O-N 2.86Å; P88-I91 PolarHBondContact O-N 2.82Å; R89-I91 VanDerWaalsContact C-N 3.3Å; I91-Y93 PolarHBondContact O-N 2.86Å; I91-V94 WeakPolarHBondContact O-CB 3.46Å; I91-V94 PolarHBondContact O-N 2.8Å; I91-F103 WeakPolarHBondContact CD1-O 3.42Å
92Q97.4Very high96.5Very high141 Ų14149.9 Ų49.966%0.65925%0.25SS*.Hα-helixtrans-59.3-28174.1-73172.7-2.700113.5P88 R89 A90P88-Q92 WeakPolarHBondContact O-CG 3.44Å; P88-Q92 PolarHBondContact O-N 2.85Å; R89-Q92 WeakPolarHBondContact O-CB 3.38Å; R89-Q92 PolarHBondContact O-N 2.96Å; A90-Q92 VanDerWaalsContact C-N 3.32Å; A90-Q92 PolarHBondContact O-N 3.13Å
93Y97.1Very high96.5Very high79 Ų7949.8 Ų49.831%0.3125%0.251SS..Hα-helixtrans-85.4-11.9175.7-64.7-53.7000113.7T40 V65 R89 A90 I91 K95T40-Y93 HydrophobicContact CG2-CD1 4.34Å; T40-Y93 HydrophobicContact CG2-CG 4.1Å; V65-Y93 HydrophobicContact CG1-CD2 3.99Å; V65-Y93 HydrophobicContact CG1-CG 4.28Å; R89-Y93 HydrophobicContact CG-CD2 4.38Å; R89-Y93 HydrophobicContact CG-CE2 3.7Å; R89-Y93 WeakPolarHBondContact O-CD2 3.49Å; R89-Y93 PolarHBondContact O-N 3.3Å; A90-Y93 WeakPolarHBondContact O-CB 3.36Å; A90-Y93 PolarHBondContact O-N 2.84Å; I91-Y93 PolarHBondContact O-N 2.86Å; Y93-K95 PolarHBondContact O-N 3.04Å
94V96.8Very high96.4Very high8 Ų852.6 Ų52.65%0.04827%0.268CS..SBendtrans-80.9111.6177-179.20000109.3G64 F70 A90 I91 V96 L100G64-V94 WeakPolarHBondContact O-CG2 3.31Å; F70-V94 HydrophobicContact CZ-CG1 4.14Å; A90-V94 PolarHBondContact O-N 2.87Å; I91-V94 WeakPolarHBondContact O-CB 3.46Å; I91-V94 PolarHBondContact O-N 2.8Å; V94-V96 PolarHBondContact O-N 2.86Å; V94-V96 VanDerWaalsContact O-N 3.15Å; V94-L100 HydrophobicContact CG1-CD1 4.35Å; V94-L100 HydrophobicContact CG1-CD2 3.51Å
95K90.1Very high96.4Very high159 Ų15952.9 Ų52.969%0.69127%0.269SS*.  trans-69.1107.4174.3-173.3179.8-179.7-177.60110.8F70 Y93F70-K95 HydrophobicContact CZ-CB 4.22Å; Y93-K95 PolarHBondContact O-N 3.04Å
96V87.9Confident96.4Very high83 Ų8353.5 Ų53.550%0.50327%0.273SS..  trans-62.1138.4172.1175.50000110.1V94 L100 L101 S102V94-V96 PolarHBondContact O-N 2.86Å; V94-V96 VanDerWaalsContact O-N 3.15Å; V96-L100 WeakPolarHBondContact CG1-O 3.42Å; V96-L101 HydrophobicContact CG1-CD2 4.2Å; V96-S102 WeakPolarHBondContact CG2-OG 3.28Å
97T91.5Very high96.3Very high55 Ų5551.6 Ų51.634%0.33727%0.265SS..BIsolated β-bridgetrans-135.5176.9176730000109.5S99 L100T97-S99 PolarHBondContact O-N 3.48Å; T97-S99 PolarHBondContact OG1-N 2.95Å; T97-L100 PolarHBondContact N-O 3.04Å; T97-L100 VanDerWaalsContact N-O 3.1Å; T97-L100 PolarHBondContact O-N 2.82Å; T97-L100 PolarHBondContact OG1-N 2.77Å
98I93Very high96.2Very high162 Ų16252.8 Ų52.883%0.83127%0.272SS*.THydrogen-bonded Turntrans-59.1-27.6173.3-166.8166.6000112.8
99S96.6Very high96.1Very high34 Ų3458.9 Ų58.924%0.23829%0.289CS..THydrogen-bonded Turntrans-104.13.2-178.3-53.40000113.4L79 F80 V81 T97L79-S99 WeakPolarHBondContact O-CB 3.1Å; F80-S99 CarbonylContact C-O 3.6Å; F80-S99 WeakPolarHBondContact CA-O 3.11Å; V81-S99 PolarHBondContact N-O 2.86Å; T97-S99 PolarHBondContact O-N 3.48Å; T97-S99 PolarHBondContact OG1-N 2.95Å
100L97.9Very high96Very high0 Ų058 Ų580%029%0.289CS..EExtended strand (participates in β ladder)trans-140.5116.2-178.5-170157.1000110.9A69 F70 L73 V81 A83 V94 V96 T97A69-L100 HydrophobicContact CB-CD1 3.87Å; F70-L100 HydrophobicContact CD1-CD1 4.36Å; F70-L100 HydrophobicContact CE1-CD1 3.92Å; F70-L100 HydrophobicContact CZ-CD1 4.36Å; L73-L100 HydrophobicContact CD1-CB 3.99Å; L73-L100 HydrophobicContact CD1-CD1 3.74Å; L73-L100 HydrophobicContact CD1-CG 4.42Å; V81-L100 HydrophobicContact CB-CG 4.26Å; V81-L100 CarbonylContact O-C 3.53Å; V81-L100 VanDerWaalsContact O-CA 3.3Å; V81-L100 WeakPolarHBondContact O-CA 3.31Å; A83-L100 HydrophobicContact CB-CD2 4.26Å; V94-L100 HydrophobicContact CG1-CD1 4.35Å; V94-L100 HydrophobicContact CG1-CD2 3.51Å; V96-L100 WeakPolarHBondContact CG1-O 3.42Å; T97-L100 PolarHBondContact N-O 3.04Å; T97-L100 VanDerWaalsContact N-O 3.1Å; T97-L100 PolarHBondContact O-N 2.82Å; T97-L100 PolarHBondContact OG1-N 2.77Å
101L97.8Very high95.8Very high79 Ų7960.6 Ų60.641%0.41431%0.31SS..EExtended strand (participates in β ladder)trans-107.7132.6168.7-67.1-176.5000110.4F80 V81 Y82 A83 V96F80-L101 HydrophobicContact CZ-CB 4.36Å; F80-L101 HydrophobicContact CZ-CD1 3.75Å; F80-L101 HydrophobicContact CZ-CG 3.74Å; V81-L101 PolarHBondContact O-N 2.64Å; Y82-L101 CarbonylContact C-O 3.6Å; Y82-L101 WeakPolarHBondContact CA-O 3.41Å; Y82-L101 HydrophobicContact CD1-CB 4.18Å; Y82-L101 HydrophobicContact CE1-CB 4.45Å; Y82-L101 HydrophobicContact CE1-CD1 4.07Å; A83-L101 PolarHBondContact N-O 3.34Å; V96-L101 HydrophobicContact CG1-CD2 4.2Å
102S97.9Very high95.7Very high26 Ų2660 Ų6018%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-121.2145.6179.866.40000113.1A83 V96A83-S102 CarbonylContact O-C 3.52Å; A83-S102 WeakPolarHBondContact O-CA 3.34Å; V96-S102 WeakPolarHBondContact CG2-OG 3.28Å
103F98.1Very high95.6Very high28 Ų2855.2 Ų55.212%0.12329%0.289CS..EExtended strand (participates in β ladder)trans-157154.5179.759-89.1000112.4Y82 A83 C84 D85 I91 I105 I116Y82-F103 HydrophobicContact CD1-CE1 4.35Å; A83-F103 PolarHBondContact O-N 2.95Å; A83-F103 VanDerWaalsContact O-N 3.09Å; C84-F103 VanDerWaalsContact CA-O 3.25Å; C84-F103 WeakPolarHBondContact CA-O 3.47Å; C84-F103 HydrophobicContact CB-CD1 4.47Å; C84-F103 HydrophobicContact CB-CD2 3.84Å; C84-F103 HydrophobicContact CB-CE1 4.12Å; C84-F103 HydrophobicContact CB-CE2 3.42Å; C84-F103 VanDerWaalsContact CB-CE2 3.42Å; C84-F103 HydrophobicContact CB-CG 4.34Å; C84-F103 HydrophobicContact CB-CZ 3.57Å; C84-F103 WeakPolarHBondContact CB-O 3.4Å; D85-F103 PolarHBondContact N-O 2.8Å; I91-F103 WeakPolarHBondContact CD1-O 3.42Å; F103-I105 HydrophobicContact CD2-CB 4.09Å; F103-I105 HydrophobicContact CD2-CG2 4.44Å; F103-I105 HydrophobicContact CE2-CB 3.95Å; F103-I105 HydrophobicContact CE2-CD1 3.91Å; F103-I105 HydrophobicContact CE2-CG2 4.01Å; F103-I116 HydrophobicContact CE1-CD1 3.99Å; F103-I116 HydrophobicContact CE1-CG1 3.84Å; F103-I116 HydrophobicContact CZ-CD1 3.62Å; F103-I116 HydrophobicContact CZ-CG1 3.74Å
104T98Very high95.5Very high59 Ų5955.8 Ų55.836%0.36231%0.305SS..EExtended strand (participates in β ladder)trans-82.5135.3175-51.90000110.5D85 P88D85-T104 CarbonylContact O-C 3.57Å; D85-T104 VanDerWaalsContact O-CA 3.31Å; D85-T104 WeakPolarHBondContact O-CA 3.34Å; P88-T104 WeakPolarHBondContact CA-OG1 3.21Å; P88-T104 HydrophobicContact CB-CG2 4.49Å; P88-T104 HydrophobicContact CG-CG2 3.95Å
105I97.8Very high95.4Very high5 Ų558 Ų583%0.02632%0.321CS..  trans-152.8143175.1-161.4155.4000112.3C84 D85 F86 F103 L107 D110 L112C84-I105 HydrophobicContact CB-CG2 3.57Å; C84-I105 VanDerWaalsContact SG-CG2 3.51Å; D85-I105 PolarHBondContact O-N 3.38Å; F86-I105 WeakPolarHBondContact CA-O 3.49Å; F103-I105 HydrophobicContact CD2-CB 4.09Å; F103-I105 HydrophobicContact CD2-CG2 4.44Å; F103-I105 HydrophobicContact CE2-CB 3.95Å; F103-I105 HydrophobicContact CE2-CD1 3.91Å; F103-I105 HydrophobicContact CE2-CG2 4.01Å; I105-L107 HydrophobicContact CG2-CD2 4.08Å; I105-D110 HydrophobicContact CD1-CB 3.98Å; I105-D110 HydrophobicContact CG1-CB 3.51Å; I105-L112 HydrophobicContact CD1-CD2 4.02Å
106D97.5Very high95.7Very high24 Ų2450.7 Ų50.713%0.12829%0.289CS..  trans-92.2104.7165.5-174.2-20000109.8F86 T108 R109 D110F86-D106 HydrophobicContact CD2-CB 3.89Å; F86-D106 HydrophobicContact CE2-CB 3.71Å; F86-D106 VanDerWaalsContact CE2-CG 3.49Å; F86-D106 WeakPolarHBondContact CE2-OD2 3.48Å; D106-T108 PolarHBondContact O-N 3.09Å; D106-T108 WeakPolarHBondContact OD1-CA 3.23Å; D106-T108 WeakPolarHBondContact OD1-CB 3.16Å; D106-T108 PolarHBondContact OD1-N 3.17Å; D106-T108 PolarHBondContact OD1-OG1 2.67Å; D106-R109 HydrophobicContact CB-CB 4.18Å; D106-R109 PolarHBondContact O-N 2.96Å; D106-D110 WeakPolarHBondContact CB-OD2 3.29Å; D106-D110 PolarHBondContact N-OD2 2.92Å; D106-D110 PolarHBondContact O-N 3.24Å
107L97.3Very high96.2Very high15 Ų1550.3 Ų50.38%0.07929%0.288CS..THydrogen-bonded Turntrans-58.6-19.2-180-62.7171.6000113.7C61 I105 L112 L126 V129 V141 N144C61-L107 HydrophobicContact CB-CD1 3.8Å; C61-L107 HydrophobicContact CB-CD2 4.14Å; I105-L107 HydrophobicContact CG2-CD2 4.08Å; L107-L112 HydrophobicContact CD2-CD2 3.97Å; L107-L126 HydrophobicContact CD1-CD2 4.12Å; L107-V129 HydrophobicContact CD1-CG1 4.07Å; L107-V141 HydrophobicContact CB-CG1 4.26Å; L107-V141 HydrophobicContact CB-CG2 4.05Å; L107-N144 PolarHBondContact O-ND2 2.96Å
108T96.4Very high96.4Very high25 Ų2552 Ų5215%0.15330%0.295CS..THydrogen-bonded Turntrans-90-9.1-179.575.50000113.3D106 I133 K137 I140 V141D106-T108 PolarHBondContact O-N 3.09Å; D106-T108 WeakPolarHBondContact OD1-CA 3.23Å; D106-T108 WeakPolarHBondContact OD1-CB 3.16Å; D106-T108 PolarHBondContact OD1-N 3.17Å; D106-T108 PolarHBondContact OD1-OG1 2.67Å; T108-I133 HydrophobicContact CG2-CD1 4.41Å; T108-I133 HydrophobicContact CG2-CG2 3.72Å; T108-K137 HydrophobicContact CG2-CB 3.97Å; T108-K137 HydrophobicContact CG2-CD 4.06Å; T108-I140 VanDerWaalsContact O-CG2 3.25Å; T108-I140 WeakPolarHBondContact O-CG2 3.46Å; T108-V141 HydrophobicContact CG2-CG2 4Å
109R95.1Very high96.5Very high175 Ų17546.6 Ų46.666%0.6627%0.274SS*.THydrogen-bonded Turntrans-133.1-46.1-173.1-173.7-170.768.9-161.5-8.5113.4D106D106-R109 HydrophobicContact CB-CB 4.18Å; D106-R109 PolarHBondContact O-N 2.96Å
110D95Very high96.5Very high43 Ų4346.1 Ų46.123%0.2327%0.27CS..SBendtrans-91.5140.9-166.8-58.2-31000110.8I105 D106 L112I105-D110 HydrophobicContact CD1-CB 3.98Å; I105-D110 HydrophobicContact CG1-CB 3.51Å; D106-D110 WeakPolarHBondContact CB-OD2 3.29Å; D106-D110 PolarHBondContact N-OD2 2.92Å; D106-D110 PolarHBondContact O-N 3.24Å; D110-L112 PolarHBondContact O-N 2.83Å
111A94.1Very high96.5Very high54 Ų5446.1 Ų46.145%0.44627%0.27SS..  trans-76.4122.9176.100000110.4S113 S114A111-S113 PolarHBondContact O-N 2.76Å; A111-S114 WeakPolarHBondContact O-CB 3.41Å; A111-S114 PolarHBondContact O-N 3.43Å; A111-S114 PolarHBondContact O-OG 2.93Å
112L96.3Very high96.4Very high6 Ų644.1 Ų44.13%0.03126%0.26CS..G310 helixtrans-54.1-29.1176.5-69.1166.2000112.7L59 I105 L107 D110 S114 S115 I116 I145 V151L59-L112 HydrophobicContact CD2-CD1 3.99Å; L59-L112 HydrophobicContact CD2-CD2 4.06Å; I105-L112 HydrophobicContact CD1-CD2 4.02Å; L107-L112 HydrophobicContact CD2-CD2 3.97Å; D110-L112 PolarHBondContact O-N 2.83Å; L112-S114 PolarHBondContact O-N 3.1Å; L112-S114 VanDerWaalsContact O-N 3.15Å; L112-S115 PolarHBondContact O-N 3.23Å; L112-I116 PolarHBondContact O-N 2.92Å; L112-I116 VanDerWaalsContact O-N 3.12Å; L112-I145 HydrophobicContact CD1-CG1 3.96Å; L112-V151 HydrophobicContact CB-CG1 3.67Å; L112-V151 HydrophobicContact CB-CG2 3.98Å; L112-V151 HydrophobicContact CD1-CG2 3.96Å
113S95.7Very high96.4Very high41 Ų4143.8 Ų43.829%0.28726%0.257SS..G310 helixtrans-66.1-9.2178.363.70000114.5A111 S115 I116A111-S113 PolarHBondContact O-N 2.76Å; S113-S115 PolarHBondContact O-N 3.18Å; S113-I116 WeakPolarHBondContact CA-O 3.16Å
114S94.5Very high96.4Very high91 Ų9142.5 Ų42.564%0.63625%0.251SS*.G310 helixtrans-69.3-23.5172.467.80000112.8A111 L112A111-S114 WeakPolarHBondContact O-CB 3.41Å; A111-S114 PolarHBondContact O-N 3.43Å; A111-S114 PolarHBondContact O-OG 2.93Å; L112-S114 PolarHBondContact O-N 3.1Å; L112-S114 VanDerWaalsContact O-N 3.15Å
115S95.1Very high96.4Very high55 Ų5540 Ų4039%0.38524%0.236SC..THydrogen-bonded Turntrans-125.9-16.6-173.1-53.20000113.3L112 S113L112-S115 PolarHBondContact O-N 3.23Å; S113-S115 PolarHBondContact O-N 3.18Å
116I97Very high96.4Very high4 Ų439.8 Ų39.82%0.02124%0.235CC..SBendtrans-127.8136.6-176.4-56172.1000109.2L59 Y82 F103 L112 S113 S120 V121 V151L59-I116 HydrophobicContact CD1-CD1 3.59Å; L59-I116 HydrophobicContact CD2-CD1 3.88Å; L59-I116 HydrophobicContact CG-CD1 4.26Å; Y82-I116 HydrophobicContact CD1-CD1 4.33Å; Y82-I116 HydrophobicContact CD1-CG1 3.79Å; Y82-I116 HydrophobicContact CD2-CD1 4.35Å; Y82-I116 HydrophobicContact CD2-CG1 4.33Å; Y82-I116 HydrophobicContact CD2-CG2 3.95Å; Y82-I116 HydrophobicContact CE1-CG1 4.17Å; Y82-I116 HydrophobicContact CE1-CG2 4.38Å; Y82-I116 HydrophobicContact CE2-CG2 3.76Å; Y82-I116 HydrophobicContact CG-CD1 3.93Å; Y82-I116 HydrophobicContact CG-CG1 3.87Å; Y82-I116 HydrophobicContact CG-CG2 4.33Å; F103-I116 HydrophobicContact CE1-CD1 3.99Å; F103-I116 HydrophobicContact CE1-CG1 3.84Å; F103-I116 HydrophobicContact CZ-CD1 3.62Å; F103-I116 HydrophobicContact CZ-CG1 3.74Å; L112-I116 PolarHBondContact O-N 2.92Å; L112-I116 VanDerWaalsContact O-N 3.12Å; S113-I116 WeakPolarHBondContact CA-O 3.16Å; I116-S120 WeakPolarHBondContact CG2-OG 3.38Å; I116-V121 HydrophobicContact CG2-CG2 3.9Å; I116-V151 HydrophobicContact CB-CB 4.09Å; I116-V151 HydrophobicContact CB-CG1 3.69Å; I116-V151 HydrophobicContact CD1-CG2 4.41Å; I116-V151 HydrophobicContact CG2-CB 3.75Å; I116-V151 HydrophobicContact CG2-CG1 3.91Å; I116-V151 HydrophobicContact CG2-CG2 4.48Å
117P96.8Very high96.4Very high75 Ų7539.1 Ų39.149%0.48723%0.232SC..  trans-58.3142.1173.2-22.533.4000112.5Y82 S120Y82-P117 WeakPolarHBondContact OH-CD 3.48Å; P117-S120 WeakPolarHBondContact O-CB 3.47Å; P117-S120 PolarHBondContact O-OG 3.2Å
118I96Very high96.4Very high92 Ų9240.6 Ų40.647%0.47224%0.238SC..THydrogen-bonded Turntrans-59.2142.9175.2-62.5176.2000109.7S120 R149 S150I118-S120 VanDerWaalsContact C-N 3.29Å; I118-S120 PolarHBondContact O-N 3.23Å; I118-R149 HydrophobicContact CD1-CB 4.01Å; I118-R149 HydrophobicContact CD1-CG 4.14Å; I118-S150 WeakPolarHBondContact CG2-O 3.31Å
119A95Very high96.5Very high47 Ų4739.9 Ų39.939%0.38823%0.233SC..THydrogen-bonded Turntrans5141.3177.300000114.8S150 V151 K153A119-S150 PolarHBondContact N-O 3.46Å; A119-V151 CarbonylContact C-O 3.52Å; A119-V151 WeakPolarHBondContact CA-O 3.43Å; A119-V151 PolarHBondContact N-O 3.01Å; A119-K153 WeakPolarHBondContact O-CG 3.48Å
120S96.5Very high96.7Very high24 Ų2431.5 Ų31.517%0.16820%0.202CC..  trans-112.1-19.8-178.564.70000114.4V57 I116 P117 I118 V151 K153V57-S120 WeakPolarHBondContact CB-O 3.41Å; V57-S120 WeakPolarHBondContact CG1-O 3.36Å; I116-S120 WeakPolarHBondContact CG2-OG 3.38Å; P117-S120 WeakPolarHBondContact O-CB 3.47Å; P117-S120 PolarHBondContact O-OG 3.2Å; I118-S120 VanDerWaalsContact C-N 3.29Å; I118-S120 PolarHBondContact O-N 3.23Å; S120-V151 PolarHBondContact N-O 3.32Å; S120-K153 WeakPolarHBondContact O-CE 3.3Å
121V97.7Very high96.8Very high0 Ų029.6 Ų29.60%019%0.191CC..EExtended strand (participates in β ladder)trans-93.5131-175.1175.50000110.9V57 L59 Y82 I116 V123 V151 L152 K153V57-V121 HydrophobicContact CG1-CG2 4.29Å; L59-V121 HydrophobicContact CB-CG1 3.65Å; L59-V121 HydrophobicContact CB-CG2 4.05Å; Y82-V121 HydrophobicContact CD2-CG2 4.24Å; I116-V121 HydrophobicContact CG2-CG2 3.9Å; V121-V123 WeakPolarHBondContact CG1-O 3.43Å; V121-V151 WeakPolarHBondContact CB-O 3.42Å; V121-V151 HydrophobicContact CG2-CB 4.22Å; V121-V151 HydrophobicContact CG2-CG2 4.1Å; V121-V151 PolarHBondContact N-O 3.17Å; V121-L152 HydrophobicContact CB-CD1 4.39Å; V121-L152 HydrophobicContact CG1-CD1 3.99Å; V121-K153 WeakPolarHBondContact O-CB 3.36Å; V121-K153 WeakPolarHBondContact O-CG 3.31Å; V121-K153 PolarHBondContact O-N 3.33Å
122D96.9Very high97Very high37 Ų3727.8 Ų27.820%0.19818%0.176CC..EExtended strand (participates in β ladder)trans-81.7-45.5174.7-60.6-51.4000111.5A55 K56 V57 K153 G156 S157A55-D122 HydrophobicContact CB-CB 3.83Å; K56-D122 WeakPolarHBondContact CA-OD2 3.36Å; K56-D122 PolarHBondContact N-OD2 3.31Å; V57-D122 PolarHBondContact N-OD2 3.01Å; V57-D122 WeakPolarHBondContact O-CB 3.12Å; V57-D122 PolarHBondContact O-N 2.69Å; D122-K153 WeakPolarHBondContact OD1-CD 3.35Å; D122-K153 WeakPolarHBondContact OD1-CE 3.45Å; D122-K153 IonicContact OD1-NZ 2.69Å; D122-K153 PolarHBondContact OD1-NZ 2.99Å; D122-K153 IonicContact OD2-NZ 3.72Å; D122-G156 CarbonylContact O-C 3.59Å; D122-G156 WeakPolarHBondContact O-CA 3.44Å; D122-S157 PolarHBondContact O-N 2.83Å
123V97.1Very high97.1Very high19 Ų1928.4 Ų28.412%0.11518%0.179CC..EExtended strand (participates in β ladder)trans-134130.9-176.91760000110A55 V57 L58 L59 V121 T125 S157A55-V123 HydrophobicContact CB-CB 4.16Å; A55-V123 HydrophobicContact CB-CG2 3.82Å; V57-V123 PolarHBondContact O-N 3.41Å; L58-V123 CarbonylContact C-O 3.57Å; L58-V123 WeakPolarHBondContact CA-O 3.25Å; L58-V123 HydrophobicContact CD1-CB 4.48Å; L58-V123 HydrophobicContact CD1-CG1 4.27Å; L58-V123 WeakPolarHBondContact CD1-O 3.12Å; L59-V123 PolarHBondContact N-O 2.92Å; V121-V123 WeakPolarHBondContact CG1-O 3.43Å; V123-T125 HydrophobicContact CG1-CG2 4.15Å; V123-S157 CarbonylContact C-O 3.59Å; V123-S157 WeakPolarHBondContact CA-O 3.41Å
124C97.9Very high97.1Very high1 Ų127.8 Ų27.81%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-102.8135.5166.4-177.90000108.8L59 C61 L152 S157 V158 F159L59-C124 HydrophobicContact CB-CB 4.48Å; L59-C124 CarbonylContact O-C 3.58Å; L59-C124 VanDerWaalsContact O-CA 3.28Å; L59-C124 WeakPolarHBondContact O-CA 3.41Å; C61-C124 VanDerWaalsContact SG-SG 3.6Å; C124-L152 HydrophobicContact CB-CD1 4.33Å; C124-S157 PolarHBondContact N-O 3.04Å; C124-V158 HydrophobicContact CB-CG1 4.45Å; C124-V158 HydrophobicContact CB-CG2 4.23Å; C124-V158 CarbonylContact O-C 3.59Å; C124-V158 VanDerWaalsContact O-CA 3.31Å; C124-V158 WeakPolarHBondContact O-CA 3.43Å; C124-F159 PolarHBondContact O-N 2.88Å
125T98.1Very high97.2Very high8 Ų824.8 Ų24.85%0.04915%0.151CC..EExtended strand (participates in β ladder)trans-114.5142.3174.658.50000111.1L58 L59 E60 C61 V123 F159L58-T125 HydrophobicContact CD1-CG2 3.55Å; L59-T125 PolarHBondContact O-N 2.95Å; E60-T125 WeakPolarHBondContact CA-OG1 3.3Å; C61-T125 WeakPolarHBondContact CB-O 3.25Å; C61-T125 PolarHBondContact N-O 3.04Å; V123-T125 HydrophobicContact CG1-CG2 4.15Å; T125-F159 CarbonylContact C-O 3.49Å; T125-F159 WeakPolarHBondContact CA-O 3.31Å; T125-F159 HydrophobicContact CG2-CB 4.24Å; T125-F159 HydrophobicContact CG2-CD1 4.5Å
126L98.4Very high97.2Very high0 Ų029.5 Ų29.50%017%0.167CC..EExtended strand (participates in β ladder)trans-131.287.4173-71.3159.6000107.2C61 L107 V129 L130 V141 I145 V158 F159 V160 R161 F204C61-L126 HydrophobicContact CB-CD2 3.53Å; C61-L126 HydrophobicContact CB-CG 4.28Å; L107-L126 HydrophobicContact CD1-CD2 4.12Å; L126-V129 HydrophobicContact CD2-CB 4.16Å; L126-V129 HydrophobicContact CD2-CG1 3.96Å; L126-L130 HydrophobicContact CB-CG 4.34Å; L126-L130 HydrophobicContact CD1-CD1 4.24Å; L126-L130 HydrophobicContact CD1-CD2 4.07Å; L126-L130 HydrophobicContact CD1-CG 4.27Å; L126-L130 HydrophobicContact CD2-CD2 4.18Å; L126-V141 HydrophobicContact CD1-CG1 4.47Å; L126-V141 HydrophobicContact CD2-CG1 4.42Å; L126-I145 HydrophobicContact CD1-CD1 3.89Å; L126-V158 HydrophobicContact CD1-CG1 3.86Å; L126-F159 PolarHBondContact N-O 2.9Å; L126-V160 HydrophobicContact CB-CG2 4.32Å; L126-V160 HydrophobicContact CD1-CG2 4.3Å; L126-V160 WeakPolarHBondContact O-CA 3.42Å; L126-R161 PolarHBondContact O-N 3.18Å; L126-F204 HydrophobicContact CD1-CE1 4.5Å; L126-F204 HydrophobicContact CD1-CZ 3.85Å
127V97.7Very high97.2Very high9 Ų932.2 Ų32.26%0.05518%0.178CC..EExtended strand (participates in β ladder)trans-109.2102.9-173.4177.20000110.2W48 L68 F159 R161W48-V127 HydrophobicContact CH2-CG2 4.25Å; W48-V127 HydrophobicContact CZ2-CG1 4.03Å; W48-V127 HydrophobicContact CZ2-CG2 4.31Å; L68-V127 HydrophobicContact CD2-CB 4.41Å; L68-V127 HydrophobicContact CD2-CG2 3.93Å; V127-F159 HydrophobicContact CG2-CD1 4.34Å; V127-F159 HydrophobicContact CG2-CE1 4.32Å; V127-R161 CarbonylContact C-O 3.54Å; V127-R161 WeakPolarHBondContact CA-O 3.27Å
128F97.4Very high97.3Very high46 Ų4628.9 Ų28.920%0.20216%0.156CC..SBendtrans59.647.3-172.8-56.5-69.4000113.3R161 Y163 F234F128-R161 HydrophobicContact CZ-CG 4.38Å; F128-R161 PolarHBondContact N-O 3.36Å; F128-Y163 HydrophobicContact CD1-CD1 4.1Å; F128-Y163 AromaticContact CD1-CE1 3.81Å; F128-Y163 HydrophobicContact CD1-CE1 3.81Å; F128-Y163 HydrophobicContact CD1-CE2 4.29Å; F128-Y163 HydrophobicContact CD1-CG 4.43Å; F128-Y163 AromaticContact CD1-CZ 3.92Å; F128-Y163 AromaticContact CE1-CD1 3.93Å; F128-Y163 HydrophobicContact CE1-CD1 3.93Å; F128-Y163 AromaticContact CE1-CE1 3.75Å; F128-Y163 HydrophobicContact CE1-CE1 3.75Å; F128-F234 AromaticContact CE1-CD1 3.55Å; F128-F234 HydrophobicContact CE1-CD1 3.55Å; F128-F234 AromaticContact CE1-CE1 3.61Å; F128-F234 HydrophobicContact CE1-CE1 3.61Å; F128-F234 HydrophobicContact CE1-CG 4.38Å; F128-F234 HydrophobicContact CE1-CZ 4.46Å; F128-F234 AromaticContact CZ-CD1 3.8Å; F128-F234 HydrophobicContact CZ-CD1 3.8Å; F128-F234 AromaticContact CZ-CE1 3.72Å; F128-F234 HydrophobicContact CZ-CE1 3.72Å; F128-F234 HydrophobicContact CZ-CG 4.3Å; F128-F234 HydrophobicContact CZ-CZ 4.14Å
129V98.2Very high97.3Very high10 Ų1027.5 Ų27.56%0.06115%0.15CC..  trans-119.3-50.6-173.6179.70000110.6C61 L107 L126 S131 S132 I133 D162C61-V129 WeakPolarHBondContact O-CG2 3.33Å; L107-V129 HydrophobicContact CD1-CG1 4.07Å; L126-V129 HydrophobicContact CD2-CB 4.16Å; L126-V129 HydrophobicContact CD2-CG1 3.96Å; V129-S131 PolarHBondContact O-N 3.05Å; V129-S132 WeakPolarHBondContact O-CB 3.46Å; V129-S132 PolarHBondContact O-N 3.08Å; V129-S132 PolarHBondContact O-OG 2.8Å; V129-I133 HydrophobicContact CG1-CD1 4.33Å; V129-D162 PolarHBondContact N-OD2 2.76Å
130L98.6Very high97.3Very high0 Ų027.5 Ų27.50%014%0.143CC..G310 helixtrans-62.9-31.8-176.9-62.5-178.5000111L126 S132 I133 V138 V141 V160 D162 F195 L200 F204L126-L130 HydrophobicContact CB-CG 4.34Å; L126-L130 HydrophobicContact CD1-CD1 4.24Å; L126-L130 HydrophobicContact CD1-CD2 4.07Å; L126-L130 HydrophobicContact CD1-CG 4.27Å; L126-L130 HydrophobicContact CD2-CD2 4.18Å; L130-S132 PolarHBondContact O-N 2.89Å; L130-I133 HydrophobicContact CD2-CD1 4.46Å; L130-I133 PolarHBondContact O-N 3.44Å; L130-V138 HydrophobicContact CD1-CG1 4.16Å; L130-V138 HydrophobicContact CD2-CG1 4.27Å; L130-V141 HydrophobicContact CD2-CB 4.33Å; L130-V141 HydrophobicContact CD2-CG1 3.97Å; L130-V160 HydrophobicContact CD1-CG1 3.86Å; L130-V160 HydrophobicContact CD1-CG2 4.38Å; L130-D162 PolarHBondContact N-OD2 2.86Å; L130-F195 HydrophobicContact CB-CE2 3.84Å; L130-F195 HydrophobicContact CB-CZ 3.6Å; L130-L200 HydrophobicContact CD1-CD1 3.82Å; L130-F204 HydrophobicContact CD1-CE2 3.9Å; L130-F204 HydrophobicContact CD1-CZ 4.19Å
131S98.3Very high97.4Very high2 Ų226.4 Ų26.41%0.01414%0.135CC..G310 helixtrans-65.5-20.2175.456.80000114.2V129 D162 Y163 S192 Y193V129-S131 PolarHBondContact O-N 3.05Å; S131-D162 WeakPolarHBondContact CB-OD1 3.05Å; S131-D162 PolarHBondContact N-OD2 2.97Å; S131-D162 PolarHBondContact OG-OD1 2.87Å; S131-Y163 WeakPolarHBondContact OG-CD2 3.26Å; S131-S192 CarbonylContact O-C 2.77Å; S131-S192 WeakPolarHBondContact O-CA 3.21Å; S131-Y193 WeakPolarHBondContact CB-O 3.02Å; S131-Y193 PolarHBondContact O-N 3.08Å
132S97.9Very high97.4Very high17 Ų1726.4 Ų26.412%0.11914%0.135CC..G310 helixtrans-85-15177.675.50000113.9W31 V129 L130W31-S132 VanDerWaalsContact CZ2-CB 3.42Å; V129-S132 WeakPolarHBondContact O-CB 3.46Å; V129-S132 PolarHBondContact O-N 3.08Å; V129-S132 PolarHBondContact O-OG 2.8Å; L130-S132 PolarHBondContact O-N 2.89Å
133I97.9Very high97.3Very high19 Ų1929.9 Ų29.910%0.09715%0.146CC..SBendtrans-93.5147.9-176.4-60.5175.7000108T108 V129 L130 K137 V141T108-I133 HydrophobicContact CG2-CD1 4.41Å; T108-I133 HydrophobicContact CG2-CG2 3.72Å; V129-I133 HydrophobicContact CG1-CD1 4.33Å; L130-I133 HydrophobicContact CD2-CD1 4.46Å; L130-I133 PolarHBondContact O-N 3.44Å; I133-K137 HydrophobicContact CG2-CB 3.75Å; I133-V141 HydrophobicContact CD1-CG2 3.83Å
134D96.8Very high97.2Very high27 Ų2730.1 Ų30.114%0.14415%0.146CC..  trans-54.4128171.1-166.6-60.3000110.1E136 K137D134-E136 PolarHBondContact O-N 2.97Å; D134-E136 VanDerWaalsContact O-N 3.09Å; D134-E136 PolarHBondContact OD1-N 2.91Å; D134-K137 HydrophobicContact CB-CB 4.46Å; D134-K137 HydrophobicContact CB-CD 4.23Å; D134-K137 HydrophobicContact CB-CG 4.18Å; D134-K137 WeakPolarHBondContact O-CA 3.33Å; D134-K137 WeakPolarHBondContact O-CB 3.41Å; D134-K137 PolarHBondContact O-N 2.77Å
135P96.8Very high97.1Very high28 Ų2830.2 Ų30.218%0.18215%0.147CC..G310 helixtrans-55.1-30.2-176.421.3-33000113.4K137 V138 F183 Y193P135-K137 PolarHBondContact O-N 3.06Å; P135-V138 PolarHBondContact O-N 2.94Å; P135-F183 HydrophobicContact CG-CD1 4.18Å; P135-F183 HydrophobicContact CG-CE1 4.5Å; P135-F183 HydrophobicContact CG-CG 4.47Å; P135-Y193 HydrophobicContact CB-CD2 3.81Å; P135-Y193 HydrophobicContact CB-CE2 3.71Å; P135-Y193 HydrophobicContact CB-CG 4.26Å; P135-Y193 HydrophobicContact CG-CD2 3.88Å; P135-Y193 HydrophobicContact CG-CE2 3.94Å
136E95Very high96.8Very high154 Ų15431.5 Ų31.572%0.7215%0.151SC*.G310 helixtrans-66.9-25.8176.3-62.8-167.9156.900112.7D134D134-E136 PolarHBondContact O-N 2.97Å; D134-E136 VanDerWaalsContact O-N 3.09Å; D134-E136 PolarHBondContact OD1-N 2.91Å
137K97Very high96.3Very high62 Ų6235.2 Ų35.227%0.2717%0.168SC..G310 helixtrans-89.7-8.1-179.2-63.3-174.9173.3-171.60113.8E24 T108 I133 D134 P135 N139 I140 V141E24-K137 WeakPolarHBondContact OE1-CE 3.45Å; E24-K137 IonicContact OE1-NZ 2.62Å; E24-K137 PolarHBondContact OE1-NZ 3.27Å; T108-K137 HydrophobicContact CG2-CB 3.97Å; T108-K137 HydrophobicContact CG2-CD 4.06Å; I133-K137 HydrophobicContact CG2-CB 3.75Å; D134-K137 HydrophobicContact CB-CB 4.46Å; D134-K137 HydrophobicContact CB-CD 4.23Å; D134-K137 HydrophobicContact CB-CG 4.18Å; D134-K137 WeakPolarHBondContact O-CA 3.33Å; D134-K137 WeakPolarHBondContact O-CB 3.41Å; D134-K137 PolarHBondContact O-N 2.77Å; P135-K137 PolarHBondContact O-N 3.06Å; K137-N139 VanDerWaalsContact C-N 3.25Å; K137-N139 PolarHBondContact O-N 3.4Å; K137-I140 HydrophobicContact CB-CD1 4.47Å; K137-I140 HydrophobicContact CG-CD1 4.29Å; K137-I140 WeakPolarHBondContact O-CA 3.2Å; K137-I140 WeakPolarHBondContact O-CB 3.49Å; K137-I140 PolarHBondContact O-N 2.87Å; K137-V141 PolarHBondContact O-N 3.32Å; K137-V141 VanDerWaalsContact O-N 3.07Å
138V97.6Very high94.7Very high4 Ų439.2 Ų39.22%0.02420%0.202CC..Hα-helixtrans-61.2-36.8177.9176.80000111.2L130 P135 I140 V141 A142 F195 A203L130-V138 HydrophobicContact CD1-CG1 4.16Å; L130-V138 HydrophobicContact CD2-CG1 4.27Å; P135-V138 PolarHBondContact O-N 2.94Å; V138-I140 VanDerWaalsContact C-N 3.28Å; V138-I140 PolarHBondContact O-N 2.77Å; V138-V141 PolarHBondContact O-N 3.25Å; V138-A142 PolarHBondContact O-N 2.96Å; V138-F195 HydrophobicContact CG1-CE1 4.42Å; V138-F195 HydrophobicContact CG2-CE1 4.24Å; V138-F195 HydrophobicContact CG2-CZ 4.11Å; V138-A203 HydrophobicContact CG1-CB 3.89Å
139N96.1Very high93.9Very high63 Ų6345.8 Ų45.834%0.33723%0.226SC..Hα-helixtrans-62.3-35.8173.5-172.578.1000112.1K137 A142 R143 N207K137-N139 VanDerWaalsContact C-N 3.25Å; K137-N139 PolarHBondContact O-N 3.4Å; N139-A142 PolarHBondContact O-N 3.08Å; N139-R143 WeakPolarHBondContact O-CB 3.34Å; N139-R143 PolarHBondContact O-N 2.94Å; N139-N207 PolarHBondContact O-ND2 3.47Å; N139-N207 PolarHBondContact OD1-ND2 3.13Å
140I96.5Very high93.4Very high47 Ų4745.5 Ų45.524%0.24122%0.224CC..Hα-helixtrans-67.4-42.5176.5-59.3173.5000110.5T108 K137 V138 A142 R143 N144T108-I140 VanDerWaalsContact O-CG2 3.25Å; T108-I140 WeakPolarHBondContact O-CG2 3.46Å; K137-I140 HydrophobicContact CB-CD1 4.47Å; K137-I140 HydrophobicContact CG-CD1 4.29Å; K137-I140 WeakPolarHBondContact O-CA 3.2Å; K137-I140 WeakPolarHBondContact O-CB 3.49Å; K137-I140 PolarHBondContact O-N 2.87Å; V138-I140 VanDerWaalsContact C-N 3.28Å; V138-I140 PolarHBondContact O-N 2.77Å; I140-A142 PolarHBondContact O-N 3.22Å; I140-R143 WeakPolarHBondContact O-CB 3.46Å; I140-R143 PolarHBondContact O-N 3.41Å; I140-N144 WeakPolarHBondContact O-CB 3.36Å; I140-N144 VanDerWaalsContact O-CG 3.23Å; I140-N144 PolarHBondContact O-N 3.09Å; I140-N144 PolarHBondContact O-OD1 3.08Å
141V97.7Very high93.2Very high1 Ų145.6 Ų45.61%0.00623%0.225CC..Hα-helixtrans-59.3-47.8175177.50000110.8L107 T108 L126 L130 I133 K137 V138 R143 N144 I145L107-V141 HydrophobicContact CB-CG1 4.26Å; L107-V141 HydrophobicContact CB-CG2 4.05Å; T108-V141 HydrophobicContact CG2-CG2 4Å; L126-V141 HydrophobicContact CD1-CG1 4.47Å; L126-V141 HydrophobicContact CD2-CG1 4.42Å; L130-V141 HydrophobicContact CD2-CB 4.33Å; L130-V141 HydrophobicContact CD2-CG1 3.97Å; I133-V141 HydrophobicContact CD1-CG2 3.83Å; K137-V141 PolarHBondContact O-N 3.32Å; K137-V141 VanDerWaalsContact O-N 3.07Å; V138-V141 PolarHBondContact O-N 3.25Å; V141-R143 VanDerWaalsContact C-N 3.34Å; V141-R143 PolarHBondContact O-N 3.37Å; V141-N144 PolarHBondContact O-N 3.44Å; V141-I145 HydrophobicContact CG1-CD1 3.96Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 3.08Å; V141-I145 VanDerWaalsContact O-N 3.13Å
142A97.3Very high93.1Very high0 Ų045.6 Ų45.60%022%0.224CC..Hα-helixtrans-59.4-45.5177.200000111.5V138 N139 I140 I145 W146 A203 F204 N207 F209V138-A142 PolarHBondContact O-N 2.96Å; N139-A142 PolarHBondContact O-N 3.08Å; I140-A142 PolarHBondContact O-N 3.22Å; A142-I145 PolarHBondContact O-N 2.93Å; A142-W146 PolarHBondContact O-N 3.17Å; A142-A203 WeakPolarHBondContact CB-O 3.38Å; A142-F204 HydrophobicContact CB-CD1 4.05Å; A142-F204 HydrophobicContact CB-CE1 4.16Å; A142-F204 HydrophobicContact CB-CG 4.26Å; A142-F204 HydrophobicContact CB-CZ 4.47Å; A142-N207 HydrophobicContact CB-CB 4.27Å; A142-F209 WeakPolarHBondContact O-CE2 3.34Å
143R95.3Very high93Very high111 Ų11147.8 Ų47.842%0.41923%0.232SC..Hα-helixtrans-57.2-50.7175.2-169.6-177.254.8174.3-6112.2N139 I140 V141 I145 W146 E147 N207N139-R143 WeakPolarHBondContact O-CB 3.34Å; N139-R143 PolarHBondContact O-N 2.94Å; I140-R143 WeakPolarHBondContact O-CB 3.46Å; I140-R143 PolarHBondContact O-N 3.41Å; V141-R143 VanDerWaalsContact C-N 3.34Å; V141-R143 PolarHBondContact O-N 3.37Å; R143-I145 PolarHBondContact O-N 3.05Å; R143-W146 WeakPolarHBondContact O-CA 3.32Å; R143-W146 PolarHBondContact O-N 3.36Å; R143-E147 HydrophobicContact CG-CG 4.06Å; R143-E147 WeakPolarHBondContact CG-OE1 3.25Å; R143-E147 IonicContact NE-OE1 3.56Å; R143-E147 WeakPolarHBondContact O-CG 3.45Å; R143-E147 PolarHBondContact O-N 2.9Å; R143-N207 WeakPolarHBondContact CA-OD1 3.41Å; R143-N207 WeakPolarHBondContact CB-OD1 3.4Å
144N94.6Very high92.6Very high23 Ų2351.5 Ų51.512%0.12326%0.257CS..Hα-helixtrans-61.4-29.2-178-71.5-0000112.4L107 I140 V141L107-N144 PolarHBondContact O-ND2 2.96Å; I140-N144 WeakPolarHBondContact O-CB 3.36Å; I140-N144 VanDerWaalsContact O-CG 3.23Å; I140-N144 PolarHBondContact O-N 3.09Å; I140-N144 PolarHBondContact O-OD1 3.08Å; V141-N144 PolarHBondContact O-N 3.44Å
145I95.8Very high92.3Very high3 Ų353.4 Ų53.42%0.01528%0.277CS..Hα-helixtrans-79.2-31.9172.6-60.3165.3000111.4L112 L126 V141 A142 R143 S150 L152 V158 F209L112-I145 HydrophobicContact CD1-CG1 3.96Å; L126-I145 HydrophobicContact CD1-CD1 3.89Å; V141-I145 HydrophobicContact CG1-CD1 3.96Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 3.08Å; V141-I145 VanDerWaalsContact O-N 3.13Å; A142-I145 PolarHBondContact O-N 2.93Å; R143-I145 PolarHBondContact O-N 3.05Å; I145-S150 VanDerWaalsContact O-CB 3.22Å; I145-S150 WeakPolarHBondContact O-CB 3.3Å; I145-S150 PolarHBondContact O-OG 2.94Å; I145-L152 HydrophobicContact CG2-CD2 4.37Å; I145-V158 HydrophobicContact CG2-CG2 3.74Å; I145-F209 HydrophobicContact CB-CZ 4.32Å; I145-F209 HydrophobicContact CG2-CZ 3.98Å
146W92.6Very high92.2Very high35 Ų3552.3 Ų52.313%0.13327%0.271CS..Hα-helixtrans-78.4-41.8-177176.4-100.7000115.2A142 R143 S150 N207 G208 F209 K241 V242 L244A142-W146 PolarHBondContact O-N 3.17Å; R143-W146 WeakPolarHBondContact O-CA 3.32Å; R143-W146 PolarHBondContact O-N 3.36Å; W146-S150 WeakPolarHBondContact O-CB 3.39Å; W146-N207 HydrophobicContact CB-CB 4.45Å; W146-N207 WeakPolarHBondContact CB-O 3.41Å; W146-N207 PolarHBondContact NE1-O 3.1Å; W146-G208 VanDerWaalsContact CH2-C 3.41Å; W146-G208 WeakPolarHBondContact CH2-O 3.5Å; W146-G208 WeakPolarHBondContact CZ3-O 3.35Å; W146-F209 HydrophobicContact CB-CD2 4.37Å; W146-F209 HydrophobicContact CB-CE2 3.63Å; W146-F209 HydrophobicContact CB-CZ 3.96Å; W146-F209 HydrophobicContact CD2-CE2 4.48Å; W146-F209 AromaticContact CE3-CD1 3.8Å; W146-F209 HydrophobicContact CE3-CD1 3.8Å; W146-F209 AromaticContact CE3-CD2 3.84Å; W146-F209 HydrophobicContact CE3-CD2 3.84Å; W146-F209 AromaticContact CE3-CE1 3.84Å; W146-F209 HydrophobicContact CE3-CE1 3.84Å; W146-F209 AromaticContact CE3-CE2 3.91Å; W146-F209 HydrophobicContact CE3-CE2 3.91Å; W146-F209 AromaticContact CE3-CG 3.8Å; W146-F209 HydrophobicContact CE3-CG 3.8Å; W146-F209 AromaticContact CE3-CZ 3.89Å; W146-F209 HydrophobicContact CE3-CZ 3.89Å; W146-F209 HydrophobicContact CG-CE2 4.42Å; W146-F209 HydrophobicContact CZ3-CD1 4.06Å; W146-F209 HydrophobicContact CZ3-CE1 4.43Å; W146-F209 HydrophobicContact CZ3-CG 4.14Å; W146-K241 HydrophobicContact CE3-CD 4.5Å; W146-K241 HydrophobicContact CE3-CG 3.86Å; W146-K241 HydrophobicContact CH2-CG 4.08Å; W146-K241 HydrophobicContact CZ3-CB 4.14Å; W146-K241 HydrophobicContact CZ3-CG 3.58Å; W146-K241 WeakPolarHBondContact O-CE 3.33Å; W146-K241 PolarHBondContact O-NZ 3.25Å; W146-V242 HydrophobicContact CH2-CB 4.04Å; W146-V242 WeakPolarHBondContact CH2-O 3.44Å; W146-L244 HydrophobicContact CZ2-CD2 4.23Å
147E86.6Confident92.3Very high78 Ų7845.3 Ų45.336%0.36424%0.239SC..SBendtrans-41.2165-162.2-87.3174.1-160.400116.9R143 R149 S150R143-E147 HydrophobicContact CG-CG 4.06Å; R143-E147 WeakPolarHBondContact CG-OE1 3.25Å; R143-E147 IonicContact NE-OE1 3.56Å; R143-E147 WeakPolarHBondContact O-CG 3.45Å; R143-E147 PolarHBondContact O-N 2.9Å; E147-R149 PolarHBondContact O-N 3.07Å; E147-R149 VanDerWaalsContact O-N 3.07Å; E147-S150 WeakPolarHBondContact O-CA 3.39Å; E147-S150 WeakPolarHBondContact O-CB 3.45Å; E147-S150 PolarHBondContact O-N 3.01Å
148A65.8Low92.3Very high94 Ų9442.3 Ų42.378%0.77723%0.226SC*.THydrogen-bonded Turntrans-55.5-31.7179.800000113.4S150A148-S150 VanDerWaalsContact C-N 3.29Å
149R79.4Confident92.3Very high183 Ų18343.7 Ų43.769%0.69123%0.231SC*.THydrogen-bonded Turntrans-92.119.2173.9-63.5-171.7177.4-167.2-0.1113.8I118 E147 V151I118-R149 HydrophobicContact CD1-CB 4.01Å; I118-R149 HydrophobicContact CD1-CG 4.14Å; E147-R149 PolarHBondContact O-N 3.07Å; E147-R149 VanDerWaalsContact O-N 3.07Å; R149-V151 PolarHBondContact O-N 3.36Å
150S87.1Confident92.4Very high4 Ų440.7 Ų40.73%0.02822%0.215CC..  trans-56.6137.6177.2151.30000112I118 A119 I145 W146 E147 A148 L152 K241I118-S150 WeakPolarHBondContact CG2-O 3.31Å; A119-S150 PolarHBondContact N-O 3.46Å; I145-S150 VanDerWaalsContact O-CB 3.22Å; I145-S150 WeakPolarHBondContact O-CB 3.3Å; I145-S150 PolarHBondContact O-OG 2.94Å; W146-S150 WeakPolarHBondContact O-CB 3.39Å; E147-S150 WeakPolarHBondContact O-CA 3.39Å; E147-S150 WeakPolarHBondContact O-CB 3.45Å; E147-S150 PolarHBondContact O-N 3.01Å; A148-S150 VanDerWaalsContact C-N 3.29Å; S150-L152 VanDerWaalsContact C-N 3.26Å; S150-L152 PolarHBondContact O-N 3.11Å; S150-L152 WeakPolarHBondContact OG-CA 3.43Å; S150-L152 VanDerWaalsContact OG-CB 3.31Å; S150-L152 WeakPolarHBondContact OG-CB 3.44Å; S150-L152 PolarHBondContact OG-N 3.22Å; S150-L152 PolarHBondContact OG-O 2.88Å; S150-L152 VanDerWaalsContact OG-O 3.13Å; S150-K241 PolarHBondContact OG-NZ 3.19Å
151V95.7Very high92.5Very high2 Ų239.2 Ų39.21%0.01221%0.207CC..SBendtrans-72.8-22.3172.6-56.10000112.1L59 L112 I116 A119 S120 V121 R149L59-V151 HydrophobicContact CD2-CG2 3.85Å; L112-V151 HydrophobicContact CB-CG1 3.67Å; L112-V151 HydrophobicContact CB-CG2 3.98Å; L112-V151 HydrophobicContact CD1-CG2 3.96Å; I116-V151 HydrophobicContact CB-CB 4.09Å; I116-V151 HydrophobicContact CB-CG1 3.69Å; I116-V151 HydrophobicContact CD1-CG2 4.41Å; I116-V151 HydrophobicContact CG2-CB 3.75Å; I116-V151 HydrophobicContact CG2-CG1 3.91Å; I116-V151 HydrophobicContact CG2-CG2 4.48Å; A119-V151 CarbonylContact C-O 3.52Å; A119-V151 WeakPolarHBondContact CA-O 3.43Å; A119-V151 PolarHBondContact N-O 3.01Å; S120-V151 PolarHBondContact N-O 3.32Å; V121-V151 WeakPolarHBondContact CB-O 3.42Å; V121-V151 HydrophobicContact CG2-CB 4.22Å; V121-V151 HydrophobicContact CG2-CG2 4.1Å; V121-V151 PolarHBondContact N-O 3.17Å; R149-V151 PolarHBondContact O-N 3.36Å
152L96.5Very high92.5Very high2 Ų239.2 Ų39.21%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-70.9130.1176.2-163.667.7000110.9V121 C124 I145 S150 V158 F209 K241V121-L152 HydrophobicContact CB-CD1 4.39Å; V121-L152 HydrophobicContact CG1-CD1 3.99Å; C124-L152 HydrophobicContact CB-CD1 4.33Å; I145-L152 HydrophobicContact CG2-CD2 4.37Å; S150-L152 VanDerWaalsContact C-N 3.26Å; S150-L152 PolarHBondContact O-N 3.11Å; S150-L152 WeakPolarHBondContact OG-CA 3.43Å; S150-L152 VanDerWaalsContact OG-CB 3.31Å; S150-L152 WeakPolarHBondContact OG-CB 3.44Å; S150-L152 PolarHBondContact OG-N 3.22Å; S150-L152 PolarHBondContact OG-O 2.88Å; S150-L152 VanDerWaalsContact OG-O 3.13Å; L152-V158 HydrophobicContact CD2-CG2 4.03Å; L152-F209 HydrophobicContact CD2-CE1 4.09Å; L152-K241 HydrophobicContact CB-CD 4.39Å; L152-K241 HydrophobicContact CD2-CB 3.96Å; L152-K241 HydrophobicContact CD2-CD 4.31Å
153K95Very high92.5Very high63 Ų6341.1 Ų41.127%0.27421%0.214SC..EExtended strand (participates in β ladder)trans-59.1156.9175.2-77173.5-174171.10112.2A119 S120 V121 D122 A155 G156A119-K153 WeakPolarHBondContact O-CG 3.48Å; S120-K153 WeakPolarHBondContact O-CE 3.3Å; V121-K153 WeakPolarHBondContact O-CB 3.36Å; V121-K153 WeakPolarHBondContact O-CG 3.31Å; V121-K153 PolarHBondContact O-N 3.33Å; D122-K153 WeakPolarHBondContact OD1-CD 3.35Å; D122-K153 WeakPolarHBondContact OD1-CE 3.45Å; D122-K153 IonicContact OD1-NZ 2.69Å; D122-K153 PolarHBondContact OD1-NZ 2.99Å; D122-K153 IonicContact OD2-NZ 3.72Å; K153-A155 PolarHBondContact O-N 2.87Å; K153-G156 WeakPolarHBondContact O-CA 3.28Å; K153-G156 PolarHBondContact O-N 3.15Å
154P90.3Very high92.7Very high97 Ų9735.9 Ų35.963%0.6319%0.194SC*.EExtended strand (participates in β ladder)trans-50.1134.5159.6-23.234000110.2G156P154-G156 PolarHBondContact O-N 3.21Å; P154-G156 VanDerWaalsContact O-N 3.12Å
155A89.5Confident92.8Very high68 Ų6838.4 Ų38.456%0.56221%0.205SC*.EExtended strand (participates in β ladder)trans63.15.4-173.300000116.7K153 K240 K241K153-A155 PolarHBondContact O-N 2.87Å; A155-K240 PolarHBondContact O-NZ 3.13Å; A155-K241 WeakPolarHBondContact CA-O 3.48Å; A155-K241 PolarHBondContact N-O 2.81Å
156G95.1Very high92.9Very high5 Ų540.2 Ų40.25%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-60.7161.8170.500000111.9D122 K153 P154 K241D122-G156 CarbonylContact O-C 3.59Å; D122-G156 WeakPolarHBondContact O-CA 3.44Å; K153-G156 WeakPolarHBondContact O-CA 3.28Å; K153-G156 PolarHBondContact O-N 3.15Å; P154-G156 PolarHBondContact O-N 3.21Å; P154-G156 VanDerWaalsContact O-N 3.12Å; G156-K241 PolarHBondContact O-N 3.09Å
157S96.5Very high93.1Very high6 Ų638.5 Ų38.54%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-121.7148.2-173.3-35.20000112.2D122 V123 C124 F239 K240D122-S157 PolarHBondContact O-N 2.83Å; V123-S157 CarbonylContact C-O 3.59Å; V123-S157 WeakPolarHBondContact CA-O 3.41Å; C124-S157 PolarHBondContact N-O 3.04Å; S157-F239 CarbonylContact C-O 3.57Å; S157-F239 VanDerWaalsContact CA-O 3.24Å; S157-F239 WeakPolarHBondContact CA-O 3.39Å; S157-K240 WeakPolarHBondContact OG-CD 3.48Å; S157-K240 VanDerWaalsContact OG-CE 3.29Å; S157-K240 WeakPolarHBondContact OG-CE 2.94Å; S157-K240 PolarHBondContact OG-NZ 3.26Å
158V97.9Very high93.4Very high0 Ų039 Ų390%022%0.217CC..EExtended strand (participates in β ladder)trans-106.8124.9162.3-172.10000108.2C124 L126 I145 L152 V160 F204 F209 K238 F239C124-V158 HydrophobicContact CB-CG1 4.45Å; C124-V158 HydrophobicContact CB-CG2 4.23Å; C124-V158 CarbonylContact O-C 3.59Å; C124-V158 VanDerWaalsContact O-CA 3.31Å; C124-V158 WeakPolarHBondContact O-CA 3.43Å; L126-V158 HydrophobicContact CD1-CG1 3.86Å; I145-V158 HydrophobicContact CG2-CG2 3.74Å; L152-V158 HydrophobicContact CD2-CG2 4.03Å; V158-V160 HydrophobicContact CG1-CG2 4.14Å; V158-F204 HydrophobicContact CB-CE1 4.1Å; V158-F204 HydrophobicContact CG1-CE1 3.75Å; V158-F204 HydrophobicContact CG1-CZ 4.16Å; V158-F204 HydrophobicContact CG2-CE1 4.32Å; V158-F209 HydrophobicContact CG2-CD1 4.41Å; V158-F209 HydrophobicContact CG2-CE1 3.59Å; V158-F209 HydrophobicContact CG2-CZ 3.8Å; V158-K238 WeakPolarHBondContact O-CA 3.39Å; V158-F239 HydrophobicContact CB-CB 4.34Å; V158-F239 PolarHBondContact N-O 3Å; V158-F239 PolarHBondContact O-N 3.14Å
159F97.6Very high94.8Very high32 Ų3235.4 Ų35.414%0.1419%0.187CC..EExtended strand (participates in β ladder)trans-104.6126.6172.1178.4-81.7000109.1W48 C124 T125 L126 V127 R161 Q236W48-F159 HydrophobicContact CH2-CD1 4.46Å; W48-F159 AromaticContact CH2-CE1 3.45Å; W48-F159 HydrophobicContact CH2-CE1 3.45Å; W48-F159 VanDerWaalsContact CH2-CE1 3.45Å; W48-F159 AromaticContact CH2-CZ 3.74Å; W48-F159 HydrophobicContact CH2-CZ 3.74Å; W48-F159 AromaticContact CZ3-CE1 3.77Å; W48-F159 HydrophobicContact CZ3-CE1 3.77Å; W48-F159 AromaticContact CZ3-CZ 3.53Å; W48-F159 HydrophobicContact CZ3-CZ 3.53Å; C124-F159 PolarHBondContact O-N 2.88Å; T125-F159 CarbonylContact C-O 3.49Å; T125-F159 WeakPolarHBondContact CA-O 3.31Å; T125-F159 HydrophobicContact CG2-CB 4.24Å; T125-F159 HydrophobicContact CG2-CD1 4.5Å; L126-F159 PolarHBondContact N-O 2.9Å; V127-F159 HydrophobicContact CG2-CD1 4.34Å; V127-F159 HydrophobicContact CG2-CE1 4.32Å; F159-R161 HydrophobicContact CE1-CB 3.84Å; F159-R161 HydrophobicContact CZ-CB 4.37Å; F159-Q236 HydrophobicContact CE2-CG 3.75Å; F159-Q236 VanDerWaalsContact CZ-CD 3.45Å; F159-Q236 HydrophobicContact CZ-CG 3.61Å
160V98.2Very high95.6Very high0 Ų027.6 Ų27.60%016%0.159CC..EExtended strand (participates in β ladder)trans-117.7133.2178-174.40000108.8L126 L130 V158 D162 L200 F204 Q236 A237 F239L126-V160 HydrophobicContact CB-CG2 4.32Å; L126-V160 HydrophobicContact CD1-CG2 4.3Å; L126-V160 WeakPolarHBondContact O-CA 3.42Å; L130-V160 HydrophobicContact CD1-CG1 3.86Å; L130-V160 HydrophobicContact CD1-CG2 4.38Å; V158-V160 HydrophobicContact CG1-CG2 4.14Å; V160-D162 HydrophobicContact CG1-CB 4.49Å; V160-L200 HydrophobicContact CB-CD2 4.44Å; V160-L200 HydrophobicContact CG1-CD1 4.18Å; V160-L200 HydrophobicContact CG1-CD2 4.07Å; V160-F204 HydrophobicContact CG2-CE2 3.99Å; V160-F204 HydrophobicContact CG2-CZ 3.81Å; V160-Q236 CarbonylContact O-C 3.56Å; V160-Q236 VanDerWaalsContact O-CA 3.29Å; V160-Q236 WeakPolarHBondContact O-CA 3.48Å; V160-A237 HydrophobicContact CB-CB 4.34Å; V160-A237 PolarHBondContact N-O 3.23Å; V160-A237 PolarHBondContact O-N 2.81Å; V160-F239 HydrophobicContact CG2-CD2 4.17Å; V160-F239 HydrophobicContact CG2-CE2 4.06Å
161R97.4Very high95.9Very high17 Ų1734 Ų346%0.06419%0.189CC..EExtended strand (participates in β ladder)trans-134123160.4177179.4-84.1-176.40.9108.7L126 V127 F128 F159 F234 I235 Q236L126-R161 PolarHBondContact O-N 3.18Å; V127-R161 CarbonylContact C-O 3.54Å; V127-R161 WeakPolarHBondContact CA-O 3.27Å; F128-R161 HydrophobicContact CZ-CG 4.38Å; F128-R161 PolarHBondContact N-O 3.36Å; F159-R161 HydrophobicContact CE1-CB 3.84Å; F159-R161 HydrophobicContact CZ-CB 4.37Å; R161-F234 HydrophobicContact CG-CB 4.47Å; R161-I235 CarbonylContact C-O 3.38Å; R161-I235 VanDerWaalsContact CA-O 3.25Å; R161-I235 WeakPolarHBondContact CA-O 3.36Å; R161-Q236 VanDerWaalsContact CZ-OE1 3.29Å; R161-Q236 VanDerWaalsContact NE-OE1 3.14Å
162D98.3Very high95.9Very high0 Ų042.8 Ų42.80%022%0.221CC..EExtended strand (participates in β ladder)trans-147.4-177.5-176.5-136-47.2000112.5V129 L130 S131 V160 F195 F234 I235V129-D162 PolarHBondContact N-OD2 2.76Å; L130-D162 PolarHBondContact N-OD2 2.86Å; S131-D162 WeakPolarHBondContact CB-OD1 3.05Å; S131-D162 PolarHBondContact N-OD2 2.97Å; S131-D162 PolarHBondContact OG-OD1 2.87Å; V160-D162 HydrophobicContact CG1-CB 4.49Å; D162-F195 HydrophobicContact CB-CD2 4.13Å; D162-F195 HydrophobicContact CB-CE2 4.28Å; D162-F234 CarbonylContact O-C 3.58Å; D162-F234 WeakPolarHBondContact O-CA 3.46Å; D162-F234 WeakPolarHBondContact O-CB 3.29Å; D162-I235 HydrophobicContact CB-CG2 4.17Å; D162-I235 PolarHBondContact N-O 3.07Å; D162-I235 PolarHBondContact O-N 2.99Å
163Y98.1Very high95.8Very high41 Ų4144.1 Ų44.116%0.16123%0.227CC..EExtended strand (participates in β ladder)trans-68.9135.9176.1-60.7-54.8000111.7F128 S131 F194 F195 F234F128-Y163 HydrophobicContact CD1-CD1 4.1Å; F128-Y163 AromaticContact CD1-CE1 3.81Å; F128-Y163 HydrophobicContact CD1-CE1 3.81Å; F128-Y163 HydrophobicContact CD1-CE2 4.29Å; F128-Y163 HydrophobicContact CD1-CG 4.43Å; F128-Y163 AromaticContact CD1-CZ 3.92Å; F128-Y163 AromaticContact CE1-CD1 3.93Å; F128-Y163 HydrophobicContact CE1-CD1 3.93Å; F128-Y163 AromaticContact CE1-CE1 3.75Å; F128-Y163 HydrophobicContact CE1-CE1 3.75Å; S131-Y163 WeakPolarHBondContact OG-CD2 3.26Å; Y163-F194 HydrophobicContact CD1-CE1 4.5Å; Y163-F194 HydrophobicContact CG-CD1 4.36Å; Y163-F194 HydrophobicContact CG-CE1 4.07Å; Y163-F195 PolarHBondContact O-N 3.09Å; Y163-F234 HydrophobicContact CD1-CD1 4.13Å; Y163-F234 AromaticContact CD1-CE1 3.92Å; Y163-F234 HydrophobicContact CD1-CE1 3.92Å; Y163-F234 HydrophobicContact CE1-CE1 4.02Å
164A98.5Very high95.8Very high0 Ų042.3 Ų42.30%023%0.226CC..BIsolated β-bridgetrans-101.2148.1176.400000111.6G166 D167 F194 F195 Y216 L233 I235A164-G166 PolarHBondContact O-N 2.95Å; A164-D167 VanDerWaalsContact O-CB 3.29Å; A164-D167 WeakPolarHBondContact O-CB 3.14Å; A164-D167 PolarHBondContact O-N 3.46Å; A164-D167 VanDerWaalsContact O-N 3.14Å; A164-F194 WeakPolarHBondContact O-CD1 3.35Å; A164-F195 CarbonylContact C-O 3.5Å; A164-F195 WeakPolarHBondContact CA-O 3.47Å; A164-Y216 HydrophobicContact CB-CD1 3.72Å; A164-Y216 HydrophobicContact CB-CE1 3.78Å; A164-L233 HydrophobicContact CB-CB 4.36Å; A164-L233 HydrophobicContact CB-CD2 4.13Å; A164-L233 HydrophobicContact CB-CG 3.81Å; A164-L233 PolarHBondContact N-O 2.57Å; A164-I235 HydrophobicContact CB-CB 4.22Å
165Q98.1Very high96Very high77 Ų7739.5 Ų39.536%0.3622%0.215SC..THydrogen-bonded Turntrans-54134.1169-173.7-178.347.700110.5N182 F195 T196 L233Q165-N182 PolarHBondContact NE2-ND2 3.26Å; Q165-N182 PolarHBondContact NE2-OD1 3.04Å; Q165-F195 PolarHBondContact N-O 2.91Å; Q165-T196 HydrophobicContact CB-CG2 4.09Å; Q165-L233 WeakPolarHBondContact O-CD2 3.29Å
166G96.1Very high96.3Very high40 Ų4042.1 Ų42.141%0.41222%0.215SC..THydrogen-bonded Turntrans89.3-2.7-177.900000114.6A164 Q171A164-G166 PolarHBondContact O-N 2.95Å; G166-Q171 PolarHBondContact O-NE2 2.91Å
167D97.2Very high96.4Very high0 Ų043.2 Ų43.20%022%0.219CC..  trans-55.6145.4173.3-179.548.8000111.8A164 A169 Q170 Q171 F194 R232 L233A164-D167 VanDerWaalsContact O-CB 3.29Å; A164-D167 WeakPolarHBondContact O-CB 3.14Å; A164-D167 PolarHBondContact O-N 3.46Å; A164-D167 VanDerWaalsContact O-N 3.14Å; D167-A169 PolarHBondContact O-N 3.25Å; D167-A169 VanDerWaalsContact O-N 3.13Å; D167-A169 WeakPolarHBondContact OD2-CB 3.27Å; D167-A169 PolarHBondContact OD2-N 3.33Å; D167-A169 VanDerWaalsContact OD2-N 3.13Å; D167-Q170 WeakPolarHBondContact O-CA 3.5Å; D167-Q170 WeakPolarHBondContact O-CB 3.15Å; D167-Q170 PolarHBondContact O-N 3.16Å; D167-Q171 PolarHBondContact O-N 3.37Å; D167-F194 HydrophobicContact CB-CD1 4.06Å; D167-F194 HydrophobicContact CB-CE1 3.98Å; D167-R232 WeakPolarHBondContact OD1-CA 3.36Å; D167-R232 IonicContact OD1-CZ 3.76Å; D167-R232 IonicContact OD1-NE 2.87Å; D167-R232 PolarHBondContact OD1-NE 2.85Å; D167-R232 IonicContact OD1-NH2 3.14Å; D167-R232 IonicContact OD2-CZ 3.35Å; D167-R232 IonicContact OD2-NE 3.1Å; D167-R232 PolarHBondContact OD2-NE 3.49Å; D167-R232 VanDerWaalsContact OD2-NE 3.1Å; D167-R232 IonicContact OD2-NH2 2.77Å; D167-R232 PolarHBondContact OD2-NH2 3.45Å; D167-L233 HydrophobicContact CB-CB 4.12Å; D167-L233 WeakPolarHBondContact CB-O 3.34Å; D167-L233 PolarHBondContact OD1-N 2.82Å
168Y94.2Very high96.4Very high87 Ų8746.3 Ų46.334%0.34123%0.232SC..Hα-helixtrans-55.9-33.3177.6178.8-97.4000112.6Q170 Q171 R172 V230 P231Y168-Q170 VanDerWaalsContact C-N 3.28Å; Y168-Q170 PolarHBondContact O-N 3.14Å; Y168-Q171 PolarHBondContact O-N 3.45Å; Y168-R172 HydrophobicContact CE1-CG 4.23Å; Y168-V230 HydrophobicContact CD1-CB 3.8Å; Y168-V230 HydrophobicContact CD1-CG1 3.79Å; Y168-V230 HydrophobicContact CD1-CG2 4.28Å; Y168-V230 HydrophobicContact CE1-CB 3.97Å; Y168-V230 HydrophobicContact CE1-CG1 3.4Å; Y168-V230 HydrophobicContact CE2-CG1 4.36Å; Y168-V230 HydrophobicContact CG-CB 4.25Å; Y168-V230 HydrophobicContact CG-CG1 4.42Å; Y168-P231 WeakPolarHBondContact CB-O 3.23Å
169A93.5Very high96.4Very high19 Ų1946.9 Ų46.916%0.15724%0.235CC..Hα-helixtrans-67.6-28.8176.600000112.8D167 R172 F173 F194D167-A169 PolarHBondContact O-N 3.25Å; D167-A169 VanDerWaalsContact O-N 3.13Å; D167-A169 WeakPolarHBondContact OD2-CB 3.27Å; D167-A169 PolarHBondContact OD2-N 3.33Å; D167-A169 VanDerWaalsContact OD2-N 3.13Å; A169-R172 PolarHBondContact O-N 3.4Å; A169-F173 WeakPolarHBondContact O-CD2 3.37Å; A169-F194 HydrophobicContact CB-CE1 4.38Å; A169-F194 HydrophobicContact CB-CZ 4.36Å
170Q97.1Very high96.3Very high19 Ų1949 Ų499%0.08925%0.245CC..Hα-helixtrans-64.4-45.2175.2-169.1177.12.500110.9D167 Y168 R172 F173 N182 Y184 F194D167-Q170 WeakPolarHBondContact O-CA 3.5Å; D167-Q170 WeakPolarHBondContact O-CB 3.15Å; D167-Q170 PolarHBondContact O-N 3.16Å; Y168-Q170 VanDerWaalsContact C-N 3.28Å; Y168-Q170 PolarHBondContact O-N 3.14Å; Q170-R172 PolarHBondContact O-N 2.79Å; Q170-R172 VanDerWaalsContact O-N 3.09Å; Q170-F173 PolarHBondContact O-N 3.14Å; Q170-F173 VanDerWaalsContact O-N 3.12Å; Q170-N182 PolarHBondContact NE2-OD1 2.86Å; Q170-Y184 HydrophobicContact CG-CE2 3.71Å; Q170-Y184 PolarHBondContact NE2-OH 3.42Å; Q170-F194 VanDerWaalsContact CA-CZ 3.43Å; Q170-F194 HydrophobicContact CB-CD1 3.66Å; Q170-F194 HydrophobicContact CB-CD2 3.98Å; Q170-F194 HydrophobicContact CB-CE1 3.57Å; Q170-F194 HydrophobicContact CB-CE2 3.88Å; Q170-F194 HydrophobicContact CB-CG 3.88Å; Q170-F194 HydrophobicContact CB-CZ 3.68Å; Q170-F194 HydrophobicContact CG-CB 4.42Å; Q170-F194 HydrophobicContact CG-CD1 4.16Å; Q170-F194 HydrophobicContact CG-CD2 3.68Å; Q170-F194 HydrophobicContact CG-CE1 4.36Å; Q170-F194 HydrophobicContact CG-CE2 3.9Å; Q170-F194 HydrophobicContact CG-CG 3.82Å; Q170-F194 HydrophobicContact CG-CZ 4.23Å
171Q94.2Very high96.2Very high140 Ų14054.2 Ų54.265%0.65427%0.27SS*.Hα-helixtrans-63.4-18.3-176.6-60.3176.52.800113.1G166 D167 Y168G166-Q171 PolarHBondContact O-NE2 2.91Å; D167-Q171 PolarHBondContact O-N 3.37Å; Y168-Q171 PolarHBondContact O-N 3.45Å
172R94Very high96.2Very high185 Ų18553.9 Ų53.970%0.69827%0.269SS*.THydrogen-bonded Turntrans-85.1-11.3179.4-67.3-170.165.2-168.10.4114.3Y168 A169 Q170Y168-R172 HydrophobicContact CE1-CG 4.23Å; A169-R172 PolarHBondContact O-N 3.4Å; Q170-R172 PolarHBondContact O-N 2.79Å; Q170-R172 VanDerWaalsContact O-N 3.09Å
173F96.2Very high96.2Very high30 Ų3054 Ų5413%0.13227%0.27CS..  trans-75.4131.6177.1-76.7-76.5000111A169 Q170 Q177 Y184 R186 F194A169-F173 WeakPolarHBondContact O-CD2 3.37Å; Q170-F173 PolarHBondContact O-N 3.14Å; Q170-F173 VanDerWaalsContact O-N 3.12Å; F173-Q177 HydrophobicContact CD1-CB 3.86Å; F173-Q177 HydrophobicContact CD1-CG 4.36Å; F173-Y184 HydrophobicContact CB-CD1 3.39Å; F173-Y184 HydrophobicContact CB-CE1 3.82Å; F173-Y184 HydrophobicContact CB-CG 3.81Å; F173-Y184 VanDerWaalsContact CD1-CB 3.49Å; F173-Y184 HydrophobicContact CD1-CD1 4.29Å; F173-Y184 HydrophobicContact CD1-CG 4.07Å; F173-Y184 HydrophobicContact CD2-CD1 4.24Å; F173-Y184 AromaticContact CD2-CD2 3.98Å; F173-Y184 HydrophobicContact CD2-CD2 3.98Å; F173-Y184 AromaticContact CD2-CG 3.75Å; F173-Y184 HydrophobicContact CD2-CG 3.75Å; F173-Y184 HydrophobicContact CE2-CD2 4.43Å; F173-Y184 HydrophobicContact CE2-CG 4.31Å; F173-Y184 AromaticContact CG-CD1 3.74Å; F173-Y184 HydrophobicContact CG-CD1 3.74Å; F173-Y184 HydrophobicContact CG-CD2 4.3Å; F173-Y184 AromaticContact CG-CG 3.61Å; F173-Y184 HydrophobicContact CG-CG 3.61Å; F173-R186 HydrophobicContact CE1-CG 4.1Å; F173-R186 HydrophobicContact CZ-CG 4.05Å; F173-F194 HydrophobicContact CD2-CE2 4.05Å; F173-F194 HydrophobicContact CD2-CZ 4.31Å; F173-F194 AromaticContact CE2-CE2 3.7Å; F173-F194 HydrophobicContact CE2-CE2 3.7Å; F173-F194 AromaticContact CE2-CZ 3.82Å; F173-F194 HydrophobicContact CE2-CZ 3.82Å
174G94.6Very high96.2Very high25 Ų2553.2 Ų53.226%0.25827%0.267SS..  trans-79.8161.717100000112.3H176 Q177G174-H176 VanDerWaalsContact C-N 3.25Å; G174-H176 PolarHBondContact O-N 2.97Å; G174-Q177 VanDerWaalsContact N-OE1 3.14Å; G174-Q177 WeakPolarHBondContact O-CB 2.97Å; G174-Q177 PolarHBondContact O-N 2.8Å
175G94.3Very high96.2Very high38 Ų3853.3 Ų53.339%0.39227%0.267SS..G310 helixtrans-51.7-44176.700000112.8S13 Q177 K178S13-G175 CarbonylContact O-C 3.56Å; S13-G175 WeakPolarHBondContact O-CA 3.45Å; G175-Q177 PolarHBondContact O-N 3.22Å; G175-K178 WeakPolarHBondContact O-CB 3.13Å; G175-K178 PolarHBondContact O-N 2.88Å
176H94.9Very high96.1Very high123 Ų12353.4 Ų53.457%0.56926%0.264SS*.G310 helixtrans-61-9.317969-85.4000115S13 V15 G174S13-H176 PolarHBondContact O-N 2.95Å; S13-H176 VanDerWaalsContact O-N 3.16Å; V15-H176 WeakPolarHBondContact CG2-O 2.87Å; G174-H176 VanDerWaalsContact C-N 3.25Å; G174-H176 PolarHBondContact O-N 2.97Å
177Q97Very high96.1Very high29 Ų2961 Ų6114%0.13629%0.289CS..G310 helixtrans-102.9-10.3174.8-58.2-177.3-91.600112.8F173 G174 G175 L179 Y184 V185F173-Q177 HydrophobicContact CD1-CB 3.86Å; F173-Q177 HydrophobicContact CD1-CG 4.36Å; G174-Q177 VanDerWaalsContact N-OE1 3.14Å; G174-Q177 WeakPolarHBondContact O-CB 2.97Å; G174-Q177 PolarHBondContact O-N 2.8Å; G175-Q177 PolarHBondContact O-N 3.22Å; Q177-L179 PolarHBondContact O-N 2.82Å; Q177-Y184 CarbonylContact O-C 3.55Å; Q177-Y184 VanDerWaalsContact O-CA 3.27Å; Q177-Y184 WeakPolarHBondContact O-CA 3.29Å; Q177-V185 HydrophobicContact CB-CG1 4.41Å; Q177-V185 WeakPolarHBondContact CB-O 3.43Å; Q177-V185 PolarHBondContact NE2-O 2.9Å; Q177-V185 PolarHBondContact O-N 3.25Å
178K97.5Very high96Very high71 Ų7163 Ų6331%0.30930%0.3SS..EExtended strand (participates in β ladder)trans-71.6114.5-178.8-168174.1-177174.60109.4V15 G175 E180 E181 Y184V15-K178 WeakPolarHBondContact CG2-O 3.39Å; V15-K178 PolarHBondContact N-O 3.11Å; G175-K178 WeakPolarHBondContact O-CB 3.13Å; G175-K178 PolarHBondContact O-N 2.88Å; K178-E180 VanDerWaalsContact CE-O 3.23Å; K178-E180 WeakPolarHBondContact CE-O 3.2Å; K178-E180 VanDerWaalsContact CG-O 3.27Å; K178-E180 WeakPolarHBondContact CG-O 3.3Å; K178-E181 WeakPolarHBondContact CE-OE2 3.38Å; K178-E181 IonicContact NZ-OE2 2.9Å; K178-E181 PolarHBondContact NZ-OE2 3.04Å; K178-Y184 HydrophobicContact CB-CD1 4.08Å; K178-Y184 HydrophobicContact CB-CE1 4.07Å; K178-Y184 HydrophobicContact CD-CE1 4.44Å; K178-Y184 HydrophobicContact CG-CD1 4.29Å; K178-Y184 HydrophobicContact CG-CE1 3.97Å
179L97.2Very high96.1Very high11 Ų1159.5 Ų59.56%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-79.8-54.2169.1-61169.5000108V15 K20 L23 Q177 F183 V185 R191V15-L179 HydrophobicContact CB-CD2 3.87Å; V15-L179 HydrophobicContact CG1-CD2 3.79Å; V15-L179 HydrophobicContact CG2-CD2 3.93Å; K20-L179 WeakPolarHBondContact CE-O 3.49Å; K20-L179 HydrophobicContact CG-CD2 4Å; K20-L179 PolarHBondContact NZ-O 2.95Å; L23-L179 HydrophobicContact CD1-CD2 3.71Å; Q177-L179 PolarHBondContact O-N 2.82Å; L179-F183 HydrophobicContact CB-CB 4.29Å; L179-F183 HydrophobicContact CB-CD1 3.78Å; L179-F183 HydrophobicContact CB-CE1 4.44Å; L179-F183 HydrophobicContact CB-CG 4.15Å; L179-F183 WeakPolarHBondContact CB-O 3.5Å; L179-F183 HydrophobicContact CD1-CD1 3.73Å; L179-F183 HydrophobicContact CD1-CD2 4.27Å; L179-F183 HydrophobicContact CD1-CE1 3.68Å; L179-F183 HydrophobicContact CD1-CE2 4.25Å; L179-F183 HydrophobicContact CD1-CG 4.04Å; L179-F183 HydrophobicContact CD1-CZ 3.97Å; L179-F183 HydrophobicContact CG-CD1 4.41Å; L179-F183 PolarHBondContact N-O 3.27Å; L179-V185 HydrophobicContact CD1-CB 4.11Å; L179-V185 HydrophobicContact CD2-CB 4.18Å; L179-V185 HydrophobicContact CD2-CG1 4.36Å; L179-V185 HydrophobicContact CG-CB 4.17Å; L179-R191 HydrophobicContact CD1-CB 4.46Å; L179-R191 HydrophobicContact CD1-CG 3.95Å
180E96.2Very high96.3Very high76 Ų7658.8 Ų58.836%0.35528%0.283SS..EExtended strand (participates in β ladder)trans-150.5-175.6-178.2-61-170.8172.400110.2K20 K178 N182 F183K20-E180 IonicContact NZ-OE1 2.64Å; K178-E180 VanDerWaalsContact CE-O 3.23Å; K178-E180 WeakPolarHBondContact CE-O 3.2Å; K178-E180 VanDerWaalsContact CG-O 3.27Å; K178-E180 WeakPolarHBondContact CG-O 3.3Å; E180-N182 PolarHBondContact O-N 2.96Å; E180-F183 HydrophobicContact CB-CB 4.05Å; E180-F183 PolarHBondContact N-O 2.87Å; E180-F183 VanDerWaalsContact N-O 3.13Å; E180-F183 PolarHBondContact O-N 3.34Å; E180-F183 VanDerWaalsContact O-N 3.07Å
181E95.8Very high96.3Very high111 Ų11158.7 Ų58.752%0.51928%0.282SS..THydrogen-bonded Turntrans-60.1129173.8-170.354-141.600110.5K178 F183K178-E181 WeakPolarHBondContact CE-OE2 3.38Å; K178-E181 IonicContact NZ-OE2 2.9Å; K178-E181 PolarHBondContact NZ-OE2 3.04Å; E181-F183 PolarHBondContact O-N 3.38Å
182N97.7Very high96.5Very high9 Ų952.2 Ų52.25%0.04825%0.252CS..THydrogen-bonded Turntrans56.77.6-172.1-58.7-43.4000116.1Q165 Q170 E180 Y184 Y193 F194Q165-N182 PolarHBondContact NE2-ND2 3.26Å; Q165-N182 PolarHBondContact NE2-OD1 3.04Å; Q170-N182 PolarHBondContact NE2-OD1 2.86Å; E180-N182 PolarHBondContact O-N 2.96Å; N182-Y184 VanDerWaalsContact C-CE2 3.42Å; N182-Y193 HydrophobicContact CB-CD2 4.36Å; N182-Y193 HydrophobicContact CB-CE2 3.94Å; N182-Y193 CarbonylContact O-C 3.49Å; N182-Y193 VanDerWaalsContact O-CA 3.26Å; N182-Y193 WeakPolarHBondContact O-CA 3.36Å; N182-F194 HydrophobicContact CB-CB 4.24Å; N182-F194 WeakPolarHBondContact CB-O 3.4Å; N182-F194 WeakPolarHBondContact O-CD2 3.34Å; N182-F194 PolarHBondContact O-N 2.91Å
183F98.3Very high96.7Very high4 Ų444.4 Ų44.42%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-118.2123.9-178.3-162.6-154.6000112.5P135 L179 E180 E181 R191 Y193P135-F183 HydrophobicContact CG-CD1 4.18Å; P135-F183 HydrophobicContact CG-CE1 4.5Å; P135-F183 HydrophobicContact CG-CG 4.47Å; L179-F183 HydrophobicContact CB-CB 4.29Å; L179-F183 HydrophobicContact CB-CD1 3.78Å; L179-F183 HydrophobicContact CB-CE1 4.44Å; L179-F183 HydrophobicContact CB-CG 4.15Å; L179-F183 WeakPolarHBondContact CB-O 3.5Å; L179-F183 HydrophobicContact CD1-CD1 3.73Å; L179-F183 HydrophobicContact CD1-CD2 4.27Å; L179-F183 HydrophobicContact CD1-CE1 3.68Å; L179-F183 HydrophobicContact CD1-CE2 4.25Å; L179-F183 HydrophobicContact CD1-CG 4.04Å; L179-F183 HydrophobicContact CD1-CZ 3.97Å; L179-F183 HydrophobicContact CG-CD1 4.41Å; L179-F183 PolarHBondContact N-O 3.27Å; E180-F183 HydrophobicContact CB-CB 4.05Å; E180-F183 PolarHBondContact N-O 2.87Å; E180-F183 VanDerWaalsContact N-O 3.13Å; E180-F183 PolarHBondContact O-N 3.34Å; E180-F183 VanDerWaalsContact O-N 3.07Å; E181-F183 PolarHBondContact O-N 3.38Å; F183-R191 HydrophobicContact CD2-CB 4.5Å; F183-R191 HydrophobicContact CE2-CB 3.55Å; F183-R191 HydrophobicContact CE2-CG 4.38Å; F183-R191 HydrophobicContact CZ-CB 3.87Å; F183-R191 HydrophobicContact CZ-CG 4.25Å; F183-Y193 HydrophobicContact CB-CD2 3.79Å; F183-Y193 HydrophobicContact CB-CE2 4.44Å; F183-Y193 HydrophobicContact CD2-CD2 4.16Å; F183-Y193 HydrophobicContact CG-CD2 4.14Å
184Y98.3Very high96.8Very high24 Ų2443 Ų439%0.09422%0.216CC..EExtended strand (participates in β ladder)trans-135.6153.3-172.7-51.7-95.5000112.7Q170 F173 Q177 K178 N182 R191 S192 F194Q170-Y184 HydrophobicContact CG-CE2 3.71Å; Q170-Y184 PolarHBondContact NE2-OH 3.42Å; F173-Y184 HydrophobicContact CB-CD1 3.39Å; F173-Y184 HydrophobicContact CB-CE1 3.82Å; F173-Y184 HydrophobicContact CB-CG 3.81Å; F173-Y184 VanDerWaalsContact CD1-CB 3.49Å; F173-Y184 HydrophobicContact CD1-CD1 4.29Å; F173-Y184 HydrophobicContact CD1-CG 4.07Å; F173-Y184 HydrophobicContact CD2-CD1 4.24Å; F173-Y184 AromaticContact CD2-CD2 3.98Å; F173-Y184 HydrophobicContact CD2-CD2 3.98Å; F173-Y184 AromaticContact CD2-CG 3.75Å; F173-Y184 HydrophobicContact CD2-CG 3.75Å; F173-Y184 HydrophobicContact CE2-CD2 4.43Å; F173-Y184 HydrophobicContact CE2-CG 4.31Å; F173-Y184 AromaticContact CG-CD1 3.74Å; F173-Y184 HydrophobicContact CG-CD1 3.74Å; F173-Y184 HydrophobicContact CG-CD2 4.3Å; F173-Y184 AromaticContact CG-CG 3.61Å; F173-Y184 HydrophobicContact CG-CG 3.61Å; Q177-Y184 CarbonylContact O-C 3.55Å; Q177-Y184 VanDerWaalsContact O-CA 3.27Å; Q177-Y184 WeakPolarHBondContact O-CA 3.29Å; K178-Y184 HydrophobicContact CB-CD1 4.08Å; K178-Y184 HydrophobicContact CB-CE1 4.07Å; K178-Y184 HydrophobicContact CD-CE1 4.44Å; K178-Y184 HydrophobicContact CG-CD1 4.29Å; K178-Y184 HydrophobicContact CG-CE1 3.97Å; N182-Y184 VanDerWaalsContact C-CE2 3.42Å; Y184-R191 CarbonylContact O-C 3.58Å; Y184-R191 VanDerWaalsContact O-CA 3.29Å; Y184-R191 WeakPolarHBondContact O-CA 3.47Å; Y184-S192 PolarHBondContact N-O 3.15Å; Y184-S192 PolarHBondContact O-N 3.36Å; Y184-F194 AromaticContact CD2-CD2 3.85Å; Y184-F194 HydrophobicContact CD2-CD2 3.85Å; Y184-F194 AromaticContact CD2-CE2 3.78Å; Y184-F194 HydrophobicContact CD2-CE2 3.78Å; Y184-F194 AromaticContact CE2-CD2 3.92Å; Y184-F194 HydrophobicContact CE2-CD2 3.92Å; Y184-F194 HydrophobicContact CE2-CE2 4.15Å
185V98Very high97Very high1 Ų141.8 Ų41.81%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-103.5138173.969.30000111.7V15 L23 Q177 L179 R191V15-V185 HydrophobicContact CG2-CG1 4Å; L23-V185 HydrophobicContact CD1-CB 4.05Å; L23-V185 HydrophobicContact CD1-CG1 4.3Å; L23-V185 HydrophobicContact CD1-CG2 3.66Å; L23-V185 HydrophobicContact CD2-CG2 3.73Å; L23-V185 HydrophobicContact CG-CG2 4.34Å; Q177-V185 HydrophobicContact CB-CG1 4.41Å; Q177-V185 WeakPolarHBondContact CB-O 3.43Å; Q177-V185 PolarHBondContact NE2-O 2.9Å; Q177-V185 PolarHBondContact O-N 3.25Å; L179-V185 HydrophobicContact CD1-CB 4.11Å; L179-V185 HydrophobicContact CD2-CB 4.18Å; L179-V185 HydrophobicContact CD2-CG1 4.36Å; L179-V185 HydrophobicContact CG-CB 4.17Å; V185-R191 HydrophobicContact CG2-CG 4.47Å
186R96.7Very high97.2Very high79 Ų7940.9 Ų40.930%0.29819%0.191SC..  trans-87.6167.8173.4-62.2-178.3-176.4-92-2.5111.1F173 D188 G189 T190 S192F173-R186 HydrophobicContact CE1-CG 4.1Å; F173-R186 HydrophobicContact CZ-CG 4.05Å; R186-D188 WeakPolarHBondContact CB-OD1 2.98Å; R186-D188 PolarHBondContact O-N 2.95Å; R186-G189 PolarHBondContact O-N 3.41Å; R186-T190 WeakPolarHBondContact CD-OG1 3.23Å; R186-T190 PolarHBondContact N-O 2.93Å; R186-S192 PolarHBondContact NE-OG 3.47Å; R186-S192 PolarHBondContact NH2-OG 3.01Å
187Q94.6Very high97.4Very high199 Ų19937.8 Ų37.893%0.9318%0.176SC*.THydrogen-bonded Turntrans-62.3-28.7-178.9-67.6178.8-10.300113.5G189Q187-G189 VanDerWaalsContact C-N 3.29Å; Q187-G189 PolarHBondContact O-N 2.94Å
188D95.2Very high97.5Very high44 Ų4442.4 Ų42.424%0.23520%0.198CC..THydrogen-bonded Turntrans-830.117759.215.2000114.2F34 R186 T190F34-D188 WeakPolarHBondContact CD2-OD2 3.43Å; R186-D188 WeakPolarHBondContact CB-OD1 2.98Å; R186-D188 PolarHBondContact O-N 2.95Å; D188-T190 VanDerWaalsContact C-N 3.31Å; D188-T190 WeakPolarHBondContact OD1-CB 3.44Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.49Å; D188-T190 PolarHBondContact OD1-N 2.89Å; D188-T190 PolarHBondContact OD1-OG1 2.98Å
189G97.2Very high97.5Very high12 Ų1241.8 Ų41.812%0.12420%0.2CC..SBendtrans83.9-1.4-178.400000114.7N30 R186 Q187N30-G189 PolarHBondContact ND2-O 3.2Å; R186-G189 PolarHBondContact O-N 3.41Å; Q187-G189 VanDerWaalsContact C-N 3.29Å; Q187-G189 PolarHBondContact O-N 2.94Å
190T97.3Very high97.5Very high5 Ų541.2 Ų41.23%0.03120%0.197CC..  trans-72.6165.2166.766.80000110.3W31 F34 R186 D188W31-T190 HydrophobicContact CD2-CG2 3.9Å; W31-T190 HydrophobicContact CE3-CG2 4.02Å; W31-T190 HydrophobicContact CG-CG2 4.44Å; W31-T190 HydrophobicContact CH2-CG2 4.22Å; W31-T190 HydrophobicContact CZ2-CG2 4.08Å; W31-T190 HydrophobicContact CZ3-CG2 4.19Å; F34-T190 HydrophobicContact CB-CG2 4.29Å; R186-T190 WeakPolarHBondContact CD-OG1 3.23Å; R186-T190 PolarHBondContact N-O 2.93Å; D188-T190 VanDerWaalsContact C-N 3.31Å; D188-T190 WeakPolarHBondContact OD1-CB 3.44Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.49Å; D188-T190 PolarHBondContact OD1-N 2.89Å; D188-T190 PolarHBondContact OD1-OG1 2.98Å
191R97.7Very high97.6Very high17 Ų1738.9 Ų38.96%0.06419%0.189CC..EExtended strand (participates in β ladder)trans-128.2161.3-169.8-57.5177.1-65.4-171.1-10.2111.8E24 L179 F183 Y184 V185E24-R191 IonicContact OE2-CZ 2.69Å; E24-R191 IonicContact OE2-NH1 3.37Å; E24-R191 PolarHBondContact OE2-NH1 2.9Å; E24-R191 IonicContact OE2-NH2 3.65Å; E24-R191 PolarHBondContact OE2-NH2 2.92Å; L179-R191 HydrophobicContact CD1-CB 4.46Å; L179-R191 HydrophobicContact CD1-CG 3.95Å; F183-R191 HydrophobicContact CD2-CB 4.5Å; F183-R191 HydrophobicContact CE2-CB 3.55Å; F183-R191 HydrophobicContact CE2-CG 4.38Å; F183-R191 HydrophobicContact CZ-CB 3.87Å; F183-R191 HydrophobicContact CZ-CG 4.25Å; Y184-R191 CarbonylContact O-C 3.58Å; Y184-R191 VanDerWaalsContact O-CA 3.29Å; Y184-R191 WeakPolarHBondContact O-CA 3.47Å; V185-R191 HydrophobicContact CG2-CG 4.47Å
192S98.1Very high97.7Very high3 Ų340.1 Ų40.12%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-147.9113.4177.8-63.40000110.4S131 Y184 R186S131-S192 CarbonylContact O-C 2.77Å; S131-S192 WeakPolarHBondContact O-CA 3.21Å; Y184-S192 PolarHBondContact N-O 3.15Å; Y184-S192 PolarHBondContact O-N 3.36Å; R186-S192 PolarHBondContact NE-OG 3.47Å; R186-S192 PolarHBondContact NH2-OG 3.01Å
193Y98.6Very high97.7Very high21 Ų2140.2 Ų40.28%0.08219%0.194CC..EExtended strand (participates in β ladder)trans-91.9143.1167-171.3-99.2000110.3S131 P135 N182 F183 F195 V199S131-Y193 WeakPolarHBondContact CB-O 3.02Å; S131-Y193 PolarHBondContact O-N 3.08Å; P135-Y193 HydrophobicContact CB-CD2 3.81Å; P135-Y193 HydrophobicContact CB-CE2 3.71Å; P135-Y193 HydrophobicContact CB-CG 4.26Å; P135-Y193 HydrophobicContact CG-CD2 3.88Å; P135-Y193 HydrophobicContact CG-CE2 3.94Å; N182-Y193 HydrophobicContact CB-CD2 4.36Å; N182-Y193 HydrophobicContact CB-CE2 3.94Å; N182-Y193 CarbonylContact O-C 3.49Å; N182-Y193 VanDerWaalsContact O-CA 3.26Å; N182-Y193 WeakPolarHBondContact O-CA 3.36Å; F183-Y193 HydrophobicContact CB-CD2 3.79Å; F183-Y193 HydrophobicContact CB-CE2 4.44Å; F183-Y193 HydrophobicContact CD2-CD2 4.16Å; F183-Y193 HydrophobicContact CG-CD2 4.14Å; Y193-F195 AromaticContact CD1-CD1 3.66Å; Y193-F195 HydrophobicContact CD1-CD1 3.66Å; Y193-F195 AromaticContact CD1-CD2 3.84Å; Y193-F195 HydrophobicContact CD1-CD2 3.84Å; Y193-F195 AromaticContact CD1-CE1 3.55Å; Y193-F195 HydrophobicContact CD1-CE1 3.55Å; Y193-F195 AromaticContact CD1-CE2 3.74Å; Y193-F195 HydrophobicContact CD1-CE2 3.74Å; Y193-F195 AromaticContact CD1-CG 3.78Å; Y193-F195 HydrophobicContact CD1-CG 3.78Å; Y193-F195 AromaticContact CD1-CZ 3.58Å; Y193-F195 HydrophobicContact CD1-CZ 3.58Å; Y193-F195 AromaticContact CE1-CD1 3.57Å; Y193-F195 HydrophobicContact CE1-CD1 3.57Å; Y193-F195 HydrophobicContact CE1-CD2 4.46Å; Y193-F195 AromaticContact CE1-CE1 3.74Å; Y193-F195 HydrophobicContact CE1-CE1 3.74Å; Y193-F195 AromaticContact CE1-CG 3.95Å; Y193-F195 HydrophobicContact CE1-CG 3.95Å; Y193-F195 HydrophobicContact CE1-CZ 4.25Å; Y193-F195 HydrophobicContact CG-CZ 4.48Å; Y193-V199 HydrophobicContact CE1-CG1 4.21Å
194F98.6Very high97.7Very high0 Ų040 Ų400%019%0.194CC..  trans-114.4110.5179.1-66.6-95.1000109.6Y163 A164 D167 A169 Q170 F173 N182 Y184Y163-F194 HydrophobicContact CD1-CE1 4.5Å; Y163-F194 HydrophobicContact CG-CD1 4.36Å; Y163-F194 HydrophobicContact CG-CE1 4.07Å; A164-F194 WeakPolarHBondContact O-CD1 3.35Å; D167-F194 HydrophobicContact CB-CD1 4.06Å; D167-F194 HydrophobicContact CB-CE1 3.98Å; A169-F194 HydrophobicContact CB-CE1 4.38Å; A169-F194 HydrophobicContact CB-CZ 4.36Å; Q170-F194 VanDerWaalsContact CA-CZ 3.43Å; Q170-F194 HydrophobicContact CB-CD1 3.66Å; Q170-F194 HydrophobicContact CB-CD2 3.98Å; Q170-F194 HydrophobicContact CB-CE1 3.57Å; Q170-F194 HydrophobicContact CB-CE2 3.88Å; Q170-F194 HydrophobicContact CB-CG 3.88Å; Q170-F194 HydrophobicContact CB-CZ 3.68Å; Q170-F194 HydrophobicContact CG-CB 4.42Å; Q170-F194 HydrophobicContact CG-CD1 4.16Å; Q170-F194 HydrophobicContact CG-CD2 3.68Å; Q170-F194 HydrophobicContact CG-CE1 4.36Å; Q170-F194 HydrophobicContact CG-CE2 3.9Å; Q170-F194 HydrophobicContact CG-CG 3.82Å; Q170-F194 HydrophobicContact CG-CZ 4.23Å; F173-F194 HydrophobicContact CD2-CE2 4.05Å; F173-F194 HydrophobicContact CD2-CZ 4.31Å; F173-F194 AromaticContact CE2-CE2 3.7Å; F173-F194 HydrophobicContact CE2-CE2 3.7Å; F173-F194 AromaticContact CE2-CZ 3.82Å; F173-F194 HydrophobicContact CE2-CZ 3.82Å; N182-F194 HydrophobicContact CB-CB 4.24Å; N182-F194 WeakPolarHBondContact CB-O 3.4Å; N182-F194 WeakPolarHBondContact O-CD2 3.34Å; N182-F194 PolarHBondContact O-N 2.91Å; Y184-F194 AromaticContact CD2-CD2 3.85Å; Y184-F194 HydrophobicContact CD2-CD2 3.85Å; Y184-F194 AromaticContact CD2-CE2 3.78Å; Y184-F194 HydrophobicContact CD2-CE2 3.78Å; Y184-F194 AromaticContact CE2-CD2 3.92Å; Y184-F194 HydrophobicContact CE2-CD2 3.92Å; Y184-F194 HydrophobicContact CE2-CE2 4.15Å
195F98.6Very high97.6Very high1 Ų142 Ų420%0.00421%0.208CC..BIsolated β-bridgetrans-81.3143.1-169.6-70.6-87000112.9L130 V138 D162 Y163 A164 Q165 Y193 V199 L200 I235L130-F195 HydrophobicContact CB-CE2 3.84Å; L130-F195 HydrophobicContact CB-CZ 3.6Å; V138-F195 HydrophobicContact CG1-CE1 4.42Å; V138-F195 HydrophobicContact CG2-CE1 4.24Å; V138-F195 HydrophobicContact CG2-CZ 4.11Å; D162-F195 HydrophobicContact CB-CD2 4.13Å; D162-F195 HydrophobicContact CB-CE2 4.28Å; Y163-F195 PolarHBondContact O-N 3.09Å; A164-F195 CarbonylContact C-O 3.5Å; A164-F195 WeakPolarHBondContact CA-O 3.47Å; Q165-F195 PolarHBondContact N-O 2.91Å; Y193-F195 AromaticContact CD1-CD1 3.66Å; Y193-F195 HydrophobicContact CD1-CD1 3.66Å; Y193-F195 AromaticContact CD1-CD2 3.84Å; Y193-F195 HydrophobicContact CD1-CD2 3.84Å; Y193-F195 AromaticContact CD1-CE1 3.55Å; Y193-F195 HydrophobicContact CD1-CE1 3.55Å; Y193-F195 AromaticContact CD1-CE2 3.74Å; Y193-F195 HydrophobicContact CD1-CE2 3.74Å; Y193-F195 AromaticContact CD1-CG 3.78Å; Y193-F195 HydrophobicContact CD1-CG 3.78Å; Y193-F195 AromaticContact CD1-CZ 3.58Å; Y193-F195 HydrophobicContact CD1-CZ 3.58Å; Y193-F195 AromaticContact CE1-CD1 3.57Å; Y193-F195 HydrophobicContact CE1-CD1 3.57Å; Y193-F195 HydrophobicContact CE1-CD2 4.46Å; Y193-F195 AromaticContact CE1-CE1 3.74Å; Y193-F195 HydrophobicContact CE1-CE1 3.74Å; Y193-F195 AromaticContact CE1-CG 3.95Å; Y193-F195 HydrophobicContact CE1-CG 3.95Å; Y193-F195 HydrophobicContact CE1-CZ 4.25Å; Y193-F195 HydrophobicContact CG-CZ 4.48Å; F195-V199 HydrophobicContact CD1-CG1 4.16Å; F195-V199 HydrophobicContact CE1-CG1 4.48Å; F195-L200 HydrophobicContact CD1-CB 4.15Å; F195-L200 HydrophobicContact CD1-CD1 4.48Å; F195-I235 HydrophobicContact CB-CD1 4.4Å; F195-I235 HydrophobicContact CB-CG2 4.07Å
196T98.5Very high97.5Very high19 Ų1947 Ų4712%0.11723%0.234CC..  trans-89.5165153.877.50000110.2Q165 E198 V199 L200Q165-T196 HydrophobicContact CB-CG2 4.09Å; T196-E198 VanDerWaalsContact C-N 3.28Å; T196-E198 WeakPolarHBondContact CB-OE2 3.32Å; T196-E198 PolarHBondContact O-N 3.35Å; T196-E198 PolarHBondContact OG1-N 3.03Å; T196-E198 PolarHBondContact OG1-OE2 3.41Å; T196-V199 PolarHBondContact OG1-N 3.32Å; T196-L200 PolarHBondContact O-N 3.43Å
197K98.5Very high97.4Very high57 Ų5744.2 Ų44.225%0.24823%0.226CC..Hα-helixtrans-59.8-41.8174-65.1-174.8175.8-167.40111.6L200 S201 I214 Y216 I235K197-L200 PolarHBondContact O-N 3.38Å; K197-S201 WeakPolarHBondContact O-CB 3.45Å; K197-S201 PolarHBondContact O-N 3.02Å; K197-I214 HydrophobicContact CB-CD1 3.92Å; K197-I214 HydrophobicContact CB-CG1 4.2Å; K197-I214 HydrophobicContact CB-CG2 4.43Å; K197-I214 HydrophobicContact CD-CG2 4.24Å; K197-I214 HydrophobicContact CG-CD1 4.29Å; K197-I214 HydrophobicContact CG-CG1 4.04Å; K197-I214 PolarHBondContact NZ-O 2.74Å; K197-I214 VanDerWaalsContact O-CD1 3.31Å; K197-I214 WeakPolarHBondContact O-CD1 3.42Å; K197-Y216 HydrophobicContact CD-CD2 4.49Å; K197-Y216 HydrophobicContact CD-CE2 4.11Å; K197-Y216 HydrophobicContact CG-CE1 4.11Å; K197-Y216 HydrophobicContact CG-CE2 3.96Å; K197-Y216 PolarHBondContact N-OH 3.13Å; K197-I235 HydrophobicContact CB-CD1 4.45Å; K197-I235 HydrophobicContact CG-CD1 4.04Å
198E98.1Very high97.3Very high126 Ų12636.4 Ų36.459%0.58920%0.199SC*.Hα-helixtrans-64.8-45.5-174.7-58.868.3-143.900111T196 K202T196-E198 VanDerWaalsContact C-N 3.28Å; T196-E198 WeakPolarHBondContact CB-OE2 3.32Å; T196-E198 PolarHBondContact O-N 3.35Å; T196-E198 PolarHBondContact OG1-N 3.03Å; T196-E198 PolarHBondContact OG1-OE2 3.41Å; E198-K202 WeakPolarHBondContact O-CB 3.4Å; E198-K202 PolarHBondContact O-N 2.83Å
199V97.5Very high97.3Very high58 Ų5834.6 Ų34.635%0.35219%0.189SC..Hα-helixtrans-64.1-47.4178.91730000110.8Y193 F195 T196 A203Y193-V199 HydrophobicContact CE1-CG1 4.21Å; F195-V199 HydrophobicContact CD1-CG1 4.16Å; F195-V199 HydrophobicContact CE1-CG1 4.48Å; T196-V199 PolarHBondContact OG1-N 3.32Å; V199-A203 PolarHBondContact O-N 2.93Å
200L98.3Very high97.3Very high0 Ų040.6 Ų40.60%021%0.208CC..Hα-helixtrans-66.3-46.8-179.3-179.361.3000111.5L130 V160 F195 T196 K197 A203 F204 I214 I235 A237 F239L130-L200 HydrophobicContact CD1-CD1 3.82Å; V160-L200 HydrophobicContact CB-CD2 4.44Å; V160-L200 HydrophobicContact CG1-CD1 4.18Å; V160-L200 HydrophobicContact CG1-CD2 4.07Å; F195-L200 HydrophobicContact CD1-CB 4.15Å; F195-L200 HydrophobicContact CD1-CD1 4.48Å; T196-L200 PolarHBondContact O-N 3.43Å; K197-L200 PolarHBondContact O-N 3.38Å; L200-A203 PolarHBondContact O-N 2.87Å; L200-F204 HydrophobicContact CD1-CD2 4.01Å; L200-F204 HydrophobicContact CD1-CE2 3.72Å; L200-F204 WeakPolarHBondContact O-CD2 3.5Å; L200-F204 PolarHBondContact O-N 2.63Å; L200-I214 HydrophobicContact CB-CD1 4.18Å; L200-I214 HydrophobicContact CD2-CD1 4.16Å; L200-I214 HydrophobicContact CG-CD1 4.29Å; L200-I235 HydrophobicContact CB-CD1 4.2Å; L200-I235 HydrophobicContact CD2-CD1 3.73Å; L200-I235 HydrophobicContact CD2-CG1 3.97Å; L200-I235 HydrophobicContact CD2-CG2 4.07Å; L200-A237 HydrophobicContact CD2-CB 3.87Å; L200-F239 HydrophobicContact CG-CE2 4.28Å; L200-F239 HydrophobicContact CG-CZ 4.19Å
201S98.3Very high97.3Very high26 Ų2643.5 Ų43.518%0.18222%0.221CC..Hα-helixtrans-57.3-51.9177.4-176.70000111.3K197 A203 F204 V205 E211K197-S201 WeakPolarHBondContact O-CB 3.45Å; K197-S201 PolarHBondContact O-N 3.02Å; S201-A203 VanDerWaalsContact C-N 3.3Å; S201-A203 PolarHBondContact O-N 2.82Å; S201-F204 PolarHBondContact O-N 3.14Å; S201-F204 VanDerWaalsContact O-N 3.14Å; S201-V205 WeakPolarHBondContact O-CB 3.43Å; S201-V205 WeakPolarHBondContact O-CG2 3.22Å; S201-V205 PolarHBondContact O-N 2.88Å; S201-E211 WeakPolarHBondContact CB-OE2 3.14Å; S201-E211 PolarHBondContact OG-OE2 3.16Å
202K97.7Very high97.3Very high137 Ų13744.9 Ų44.960%0.59624%0.236SC*.Hα-helixtrans-56.6-42.2-179.5-176.5177.3-179.4-178.50112E198 F204 N206E198-K202 WeakPolarHBondContact O-CB 3.4Å; E198-K202 PolarHBondContact O-N 2.83Å; K202-F204 VanDerWaalsContact C-N 3.33Å; K202-F204 PolarHBondContact O-N 2.92Å; K202-N206 WeakPolarHBondContact CG-ND2 3.39Å; K202-N206 WeakPolarHBondContact O-CB 3.44Å; K202-N206 PolarHBondContact O-N 2.96Å
203A97.1Very high97.3Very high11 Ų1147.5 Ų47.59%0.09125%0.254CS..Hα-helixtrans-61.3-39.218000000112.9V138 A142 V199 L200 S201 N207V138-A203 HydrophobicContact CG1-CB 3.89Å; A142-A203 WeakPolarHBondContact CB-O 3.38Å; V199-A203 PolarHBondContact O-N 2.93Å; L200-A203 PolarHBondContact O-N 2.87Å; S201-A203 VanDerWaalsContact C-N 3.3Å; S201-A203 PolarHBondContact O-N 2.82Å; A203-N207 PolarHBondContact O-ND2 3.43Å
204F97.7Very high97.3Very high1 Ų147.8 Ų47.80%0.00426%0.257CS..Hα-helixtrans-82.9-44.6178.6-79-92.9000112.2L126 L130 A142 V158 V160 L200 S201 K202 N206 N207 F209 F239L126-F204 HydrophobicContact CD1-CE1 4.5Å; L126-F204 HydrophobicContact CD1-CZ 3.85Å; L130-F204 HydrophobicContact CD1-CE2 3.9Å; L130-F204 HydrophobicContact CD1-CZ 4.19Å; A142-F204 HydrophobicContact CB-CD1 4.05Å; A142-F204 HydrophobicContact CB-CE1 4.16Å; A142-F204 HydrophobicContact CB-CG 4.26Å; A142-F204 HydrophobicContact CB-CZ 4.47Å; V158-F204 HydrophobicContact CB-CE1 4.1Å; V158-F204 HydrophobicContact CG1-CE1 3.75Å; V158-F204 HydrophobicContact CG1-CZ 4.16Å; V158-F204 HydrophobicContact CG2-CE1 4.32Å; V160-F204 HydrophobicContact CG2-CE2 3.99Å; V160-F204 HydrophobicContact CG2-CZ 3.81Å; L200-F204 HydrophobicContact CD1-CD2 4.01Å; L200-F204 HydrophobicContact CD1-CE2 3.72Å; L200-F204 WeakPolarHBondContact O-CD2 3.5Å; L200-F204 PolarHBondContact O-N 2.63Å; S201-F204 PolarHBondContact O-N 3.14Å; S201-F204 VanDerWaalsContact O-N 3.14Å; K202-F204 VanDerWaalsContact C-N 3.33Å; K202-F204 PolarHBondContact O-N 2.92Å; F204-N206 VanDerWaalsContact C-N 3.34Å; F204-N206 PolarHBondContact O-N 3.12Å; F204-N207 CarbonylContact O-C 3.59Å; F204-N207 PolarHBondContact O-N 3.09Å; F204-F209 HydrophobicContact CB-CB 4.13Å; F204-F209 HydrophobicContact CB-CD2 4.18Å; F204-F209 HydrophobicContact CB-CG 4.41Å; F204-F209 AromaticContact CD1-CD2 3.71Å; F204-F209 HydrophobicContact CD1-CD2 3.71Å; F204-F209 AromaticContact CD1-CE2 3.9Å; F204-F209 HydrophobicContact CD1-CE2 3.9Å; F204-F209 HydrophobicContact CD1-CG 4.14Å; F204-F209 HydrophobicContact CE1-CE2 4.45Å; F204-F209 HydrophobicContact CG-CD2 4.43Å; F204-F209 WeakPolarHBondContact O-CB 3.17Å; F204-F209 WeakPolarHBondContact O-CD2 3.49Å; F204-F209 PolarHBondContact O-N 3.37Å; F204-F239 HydrophobicContact CB-CB 4.46Å; F204-F239 HydrophobicContact CB-CD1 3.46Å; F204-F239 VanDerWaalsContact CB-CD1 3.46Å; F204-F239 HydrophobicContact CB-CD2 3.94Å; F204-F239 HydrophobicContact CB-CE1 3.54Å; F204-F239 HydrophobicContact CB-CE2 3.98Å; F204-F239 HydrophobicContact CB-CG 3.68Å; F204-F239 HydrophobicContact CB-CZ 3.79Å; F204-F239 HydrophobicContact CD1-CB 4.13Å; F204-F239 AromaticContact CD1-CD2 3.65Å; F204-F239 HydrophobicContact CD1-CD2 3.65Å; F204-F239 HydrophobicContact CD1-CE2 4.17Å; F204-F239 AromaticContact CD1-CG 3.84Å; F204-F239 HydrophobicContact CD1-CG 3.84Å; F204-F239 AromaticContact CD2-CD2 3.79Å; F204-F239 HydrophobicContact CD2-CD2 3.79Å; F204-F239 HydrophobicContact CD2-CE1 4.41Å; F204-F239 AromaticContact CD2-CE2 3.41Å; F204-F239 HydrophobicContact CD2-CE2 3.41Å; F204-F239 VanDerWaalsContact CD2-CE2 3.41Å; F204-F239 HydrophobicContact CD2-CG 4.42Å; F204-F239 AromaticContact CD2-CZ 3.77Å; F204-F239 HydrophobicContact CD2-CZ 3.77Å; F204-F239 HydrophobicContact CE1-CD2 4.09Å; F204-F239 HydrophobicContact CE2-CD2 4.21Å; F204-F239 AromaticContact CE2-CE2 3.9Å; F204-F239 HydrophobicContact CE2-CE2 3.9Å; F204-F239 HydrophobicContact CG-CB 4.46Å; F204-F239 HydrophobicContact CG-CD1 4Å; F204-F239 AromaticContact CG-CD2 3.49Å; F204-F239 HydrophobicContact CG-CD2 3.49Å; F204-F239 VanDerWaalsContact CG-CD2 3.49Å; F204-F239 HydrophobicContact CG-CE1 4.09Å; F204-F239 AromaticContact CG-CE2 3.57Å; F204-F239 HydrophobicContact CG-CE2 3.57Å; F204-F239 AromaticContact CG-CG 3.71Å; F204-F239 HydrophobicContact CG-CG 3.71Å; F204-F239 AromaticContact CG-CZ 3.88Å; F204-F239 HydrophobicContact CG-CZ 3.88Å; F204-F239 HydrophobicContact CZ-CD2 4.35Å; F204-F239 HydrophobicContact CZ-CE2 4.46Å
205V96.9Very high97.3Very high64 Ų6450.7 Ų50.739%0.38828%0.275SS..Hα-helixtrans-63.6-39.5-178174.20000111.7S201 N207 G208 F209 E211S201-V205 WeakPolarHBondContact O-CB 3.43Å; S201-V205 WeakPolarHBondContact O-CG2 3.22Å; S201-V205 PolarHBondContact O-N 2.88Å; V205-N207 PolarHBondContact O-N 3.26Å; V205-N207 VanDerWaalsContact O-N 3.11Å; V205-G208 PolarHBondContact O-N 3.35Å; V205-F209 WeakPolarHBondContact CA-O 3.38Å; V205-E211 HydrophobicContact CG2-CB 4.28Å
206N95.4Very high97.2Very high106 Ų10654.1 Ų54.157%0.56729%0.288SS*.THydrogen-bonded Turntrans-62.9-18.5175.7-74.70.7000113.5K202 F204K202-N206 WeakPolarHBondContact CG-ND2 3.39Å; K202-N206 WeakPolarHBondContact O-CB 3.44Å; K202-N206 PolarHBondContact O-N 2.96Å; F204-N206 VanDerWaalsContact C-N 3.34Å; F204-N206 PolarHBondContact O-N 3.12Å
207N94.4Very high97.1Very high21 Ų2154.8 Ų54.811%0.11229%0.291CS..THydrogen-bonded Turntrans-99.917.7174.9-70.3-75000112.4N139 A142 R143 W146 A203 F204 V205 F209N139-N207 PolarHBondContact O-ND2 3.47Å; N139-N207 PolarHBondContact OD1-ND2 3.13Å; A142-N207 HydrophobicContact CB-CB 4.27Å; R143-N207 WeakPolarHBondContact CA-OD1 3.41Å; R143-N207 WeakPolarHBondContact CB-OD1 3.4Å; W146-N207 HydrophobicContact CB-CB 4.45Å; W146-N207 WeakPolarHBondContact CB-O 3.41Å; W146-N207 PolarHBondContact NE1-O 3.1Å; A203-N207 PolarHBondContact O-ND2 3.43Å; F204-N207 CarbonylContact O-C 3.59Å; F204-N207 PolarHBondContact O-N 3.09Å; V205-N207 PolarHBondContact O-N 3.26Å; V205-N207 VanDerWaalsContact O-N 3.11Å; N207-F209 HydrophobicContact CB-CD2 4.48Å
208G93.6Very high96.9Very high36 Ų3659 Ų5937%0.37131%0.311SS..THydrogen-bonded Turntrans91.2-5.4172.700000115.4W146 V205W146-G208 VanDerWaalsContact CH2-C 3.41Å; W146-G208 WeakPolarHBondContact CH2-O 3.5Å; W146-G208 WeakPolarHBondContact CZ3-O 3.35Å; V205-G208 PolarHBondContact O-N 3.35Å
209F96Very high96.5Very high5 Ų559.5 Ų59.52%0.02231%0.308CS..EExtended strand (participates in β ladder)trans-67.3144.9173.7-70-84.3000111.8A142 I145 W146 L152 V158 F204 V205 N207 F239 K241A142-F209 WeakPolarHBondContact O-CE2 3.34Å; I145-F209 HydrophobicContact CB-CZ 4.32Å; I145-F209 HydrophobicContact CG2-CZ 3.98Å; W146-F209 HydrophobicContact CB-CD2 4.37Å; W146-F209 HydrophobicContact CB-CE2 3.63Å; W146-F209 HydrophobicContact CB-CZ 3.96Å; W146-F209 HydrophobicContact CD2-CE2 4.48Å; W146-F209 AromaticContact CE3-CD1 3.8Å; W146-F209 HydrophobicContact CE3-CD1 3.8Å; W146-F209 AromaticContact CE3-CD2 3.84Å; W146-F209 HydrophobicContact CE3-CD2 3.84Å; W146-F209 AromaticContact CE3-CE1 3.84Å; W146-F209 HydrophobicContact CE3-CE1 3.84Å; W146-F209 AromaticContact CE3-CE2 3.91Å; W146-F209 HydrophobicContact CE3-CE2 3.91Å; W146-F209 AromaticContact CE3-CG 3.8Å; W146-F209 HydrophobicContact CE3-CG 3.8Å; W146-F209 AromaticContact CE3-CZ 3.89Å; W146-F209 HydrophobicContact CE3-CZ 3.89Å; W146-F209 HydrophobicContact CG-CE2 4.42Å; W146-F209 HydrophobicContact CZ3-CD1 4.06Å; W146-F209 HydrophobicContact CZ3-CE1 4.43Å; W146-F209 HydrophobicContact CZ3-CG 4.14Å; L152-F209 HydrophobicContact CD2-CE1 4.09Å; V158-F209 HydrophobicContact CG2-CD1 4.41Å; V158-F209 HydrophobicContact CG2-CE1 3.59Å; V158-F209 HydrophobicContact CG2-CZ 3.8Å; F204-F209 HydrophobicContact CB-CB 4.13Å; F204-F209 HydrophobicContact CB-CD2 4.18Å; F204-F209 HydrophobicContact CB-CG 4.41Å; F204-F209 AromaticContact CD1-CD2 3.71Å; F204-F209 HydrophobicContact CD1-CD2 3.71Å; F204-F209 AromaticContact CD1-CE2 3.9Å; F204-F209 HydrophobicContact CD1-CE2 3.9Å; F204-F209 HydrophobicContact CD1-CG 4.14Å; F204-F209 HydrophobicContact CE1-CE2 4.45Å; F204-F209 HydrophobicContact CG-CD2 4.43Å; F204-F209 WeakPolarHBondContact O-CB 3.17Å; F204-F209 WeakPolarHBondContact O-CD2 3.49Å; F204-F209 PolarHBondContact O-N 3.37Å; V205-F209 WeakPolarHBondContact CA-O 3.38Å; N207-F209 HydrophobicContact CB-CD2 4.48Å; F209-F239 HydrophobicContact CB-CB 4Å; F209-F239 HydrophobicContact CB-CD1 4.45Å; F209-F239 HydrophobicContact CD1-CB 4.02Å; F209-F239 HydrophobicContact CG-CB 4.15Å; F209-K241 HydrophobicContact CE1-CB 4.35Å
210R96.5Very high96Very high138 Ų13863.8 Ų63.852%0.52132%0.324SS..EExtended strand (participates in β ladder)trans-89.6127.2164.2-176.3176.363.279.1-6.4109.5A212 F239 K240 V242R210-A212 PolarHBondContact O-N 3.4Å; R210-F239 CarbonylContact O-C 3.6Å; R210-F239 WeakPolarHBondContact O-CA 3.37Å; R210-K240 PolarHBondContact N-O 2.71Å; R210-K240 PolarHBondContact O-N 3.39Å; R210-V242 HydrophobicContact CB-CG2 3.61Å
211E98Very high95.2Very high67 Ų6766.6 Ų66.631%0.31334%0.341SS..EExtended strand (participates in β ladder)trans-66.4118.2167.9-173.2179.5102.800109.6S201 V205 I214 F239S201-E211 WeakPolarHBondContact CB-OE2 3.14Å; S201-E211 PolarHBondContact OG-OE2 3.16Å; V205-E211 HydrophobicContact CG2-CB 4.28Å; E211-I214 HydrophobicContact CG-CB 4.39Å; E211-I214 HydrophobicContact CG-CG2 4.37Å; E211-I214 WeakPolarHBondContact OE1-CG2 3.11Å; E211-I214 WeakPolarHBondContact OE2-CG2 3.06Å; E211-F239 HydrophobicContact CB-CD1 4.22Å; E211-F239 HydrophobicContact CB-CE1 4.1Å; E211-F239 HydrophobicContact CG-CD1 4.44Å; E211-F239 HydrophobicContact CG-CE1 4.04Å
212A97.1Very high94.4Very high45 Ų4569 Ų6937%0.37236%0.355SS..EExtended strand (participates in β ladder)trans-93.1-35.4174.200000111.3R210 K238 K240R210-A212 PolarHBondContact O-N 3.4Å; A212-K238 WeakPolarHBondContact CA-O 3.36Å; A212-K238 HydrophobicContact CB-CB 4.35Å; A212-K238 HydrophobicContact CB-CG 4.34Å; A212-K238 WeakPolarHBondContact CB-O 3.48Å; A212-K238 PolarHBondContact N-O 2.88Å; A212-K240 HydrophobicContact CB-CG 4.05Å
213S97.6Very high93.5Very high59 Ų5965.9 Ų65.941%0.41334%0.344SS..EExtended strand (participates in β ladder)trans-161.4149.9171.159.80000111.2A237 K238S213-A237 CarbonylContact O-C 3.58Å; S213-A237 WeakPolarHBondContact O-CA 3.11Å; S213-K238 PolarHBondContact N-O 3.09Å; S213-K238 PolarHBondContact O-N 3.07Å
214I98.4Very high92.6Very high26 Ų2676.1 Ų76.113%0.13338%0.381CS..EExtended strand (participates in β ladder)trans-148.1122.6169.3-167164.4000110.9K197 L200 E211 I235 Q236 A237K197-I214 HydrophobicContact CB-CD1 3.92Å; K197-I214 HydrophobicContact CB-CG1 4.2Å; K197-I214 HydrophobicContact CB-CG2 4.43Å; K197-I214 HydrophobicContact CD-CG2 4.24Å; K197-I214 HydrophobicContact CG-CD1 4.29Å; K197-I214 HydrophobicContact CG-CG1 4.04Å; K197-I214 PolarHBondContact NZ-O 2.74Å; K197-I214 VanDerWaalsContact O-CD1 3.31Å; K197-I214 WeakPolarHBondContact O-CD1 3.42Å; L200-I214 HydrophobicContact CB-CD1 4.18Å; L200-I214 HydrophobicContact CD2-CD1 4.16Å; L200-I214 HydrophobicContact CG-CD1 4.29Å; E211-I214 HydrophobicContact CG-CB 4.39Å; E211-I214 HydrophobicContact CG-CG2 4.37Å; E211-I214 WeakPolarHBondContact OE1-CG2 3.11Å; E211-I214 WeakPolarHBondContact OE2-CG2 3.06Å; I214-I235 HydrophobicContact CD1-CD1 3.99Å; I214-I235 HydrophobicContact CG1-CD1 4.04Å; I214-I235 HydrophobicContact CG1-CG1 4.2Å; I214-Q236 CarbonylContact C-O 3.6Å; I214-Q236 WeakPolarHBondContact CA-O 3.35Å; I214-A237 HydrophobicContact CB-CB 4.23Å; I214-A237 HydrophobicContact CD1-CB 4.21Å; I214-A237 HydrophobicContact CG1-CB 3.92Å
215T98Very high91.8Very high62 Ų6285 Ų8538%0.3842%0.419SS..EExtended strand (participates in β ladder)trans-143.9157.6-174.5-1630000112.9L217 I235 Q236T215-L217 HydrophobicContact CG2-CD2 3.89Å; T215-L217 HydrophobicContact CG2-CG 4.22Å; T215-I235 WeakPolarHBondContact O-CA 3.22Å; T215-Q236 HydrophobicContact CG2-CB 4.39Å; T215-Q236 PolarHBondContact N-O 2.84Å; T215-Q236 PolarHBondContact O-N 3.25Å
216Y98.1Very high91.1Very high72 Ų7286.3 Ų86.328%0.28242%0.424SS..EExtended strand (participates in β ladder)trans-91141.6166.6-65.3-55.8000109.4A164 K197 F234 I235A164-Y216 HydrophobicContact CB-CD1 3.72Å; A164-Y216 HydrophobicContact CB-CE1 3.78Å; K197-Y216 HydrophobicContact CD-CD2 4.49Å; K197-Y216 HydrophobicContact CD-CE2 4.11Å; K197-Y216 HydrophobicContact CG-CE1 4.11Å; K197-Y216 HydrophobicContact CG-CE2 3.96Å; K197-Y216 PolarHBondContact N-OH 3.13Å; Y216-F234 CarbonylContact C-O 3.56Å; Y216-F234 WeakPolarHBondContact CA-O 3.47Å; Y216-I235 HydrophobicContact CD1-CB 4.33Å; Y216-I235 HydrophobicContact CD1-CG1 4.44Å; Y216-I235 HydrophobicContact CE1-CB 4.43Å; Y216-I235 HydrophobicContact CE1-CD1 4.21Å; Y216-I235 HydrophobicContact CE1-CG1 4.42Å
217L95.4Very high90.4Very high34 Ų3488.4 Ų88.418%0.17844%0.435CS..EExtended strand (participates in β ladder)trans-121.4117.3178.9-64.4-179.4000109.6T215 F234 Q236T215-L217 HydrophobicContact CG2-CD2 3.89Å; T215-L217 HydrophobicContact CG2-CG 4.22Å; L217-F234 PolarHBondContact N-O 3.23Å; L217-F234 PolarHBondContact O-N 3.48Å; L217-Q236 HydrophobicContact CD1-CB 3.6Å; L217-Q236 HydrophobicContact CD1-CG 4.27Å; L217-Q236 HydrophobicContact CG-CB 4.11Å
218H94.3Very high89.8Confident146 Ų14691.4 Ų91.468%0.67645%0.451SS*.EExtended strand (participates in β ladder)trans-83.9130.9170.4-66.6-98.7000109.3R232 L233H218-R232 WeakPolarHBondContact CA-O 3.41Å; H218-L233 VanDerWaalsContact CE1-CD1 3.45Å; H218-L233 WeakPolarHBondContact CE1-CD1 3.42Å; H218-L233 WeakPolarHBondContact NE2-CD1 3.49Å
219R90.5Very high89.4Confident135 Ų13592.5 Ų92.551%0.50945%0.452SS..EExtended strand (participates in β ladder)trans-136.7152.3174.4-68.3-63.8-178.7-173.9-1.9109.2P231 R232 F234R219-P231 CarbonylContact O-C 3.59Å; R219-R232 HydrophobicContact CB-CB 4.46Å; R219-R232 PolarHBondContact N-O 3.27Å; R219-R232 WeakPolarHBondContact O-CA 3.31Å; R219-R232 PolarHBondContact O-N 3.3Å; R219-F234 HydrophobicContact CB-CD2 4.44Å; R219-F234 HydrophobicContact CB-CE2 4.13Å; R219-F234 HydrophobicContact CG-CD2 4.17Å; R219-F234 HydrophobicContact CG-CE2 4.23Å
220E87Confident89Confident148 Ų14893.4 Ų93.469%0.69246%0.458SS*.EExtended strand (participates in β ladder)trans-97.9132.2164.5-67.7-169.4157.200109.1
221T80.9Confident88.8Confident60 Ų6090.8 Ų90.837%0.36846%0.459SS..EExtended strand (participates in β ladder)trans-105110.6167.4-62.30000108.7V230 R232T221-V230 PolarHBondContact N-O 3.07Å; T221-V230 WeakPolarHBondContact O-CG2 3.46Å; T221-V230 PolarHBondContact O-N 3.07Å; T221-R232 WeakPolarHBondContact OG1-CG 3.46Å
222V81.5Confident88.7Confident77 Ų7789.5 Ų89.547%0.46745%0.452SS..EExtended strand (participates in β ladder)trans-91.9110.4175.9-175.50000109R224 I228V222-R224 HydrophobicContact CG1-CG 4.05Å; V222-R224 PolarHBondContact O-N 3.13Å; V222-I228 CarbonylContact C-O 3.59Å; V222-I228 WeakPolarHBondContact CA-O 3.2Å
223N78.9Confident88.7Confident70 Ų7088.6 Ų88.637%0.37444%0.44SS..EExtended strand (participates in β ladder)trans-85.596.7163.3-176-10000108.5K225 D226 N227 I228N223-K225 PolarHBondContact O-N 2.69Å; N223-K225 WeakPolarHBondContact OD1-CB 3.46Å; N223-K225 PolarHBondContact OD1-N 3.45Å; N223-K225 VanDerWaalsContact OD1-N 3.09Å; N223-D226 PolarHBondContact ND2-OD2 2.87Å; N223-D226 PolarHBondContact O-N 2.91Å; N223-N227 PolarHBondContact O-N 3.1Å; N223-I228 PolarHBondContact N-O 3.49Å; N223-I228 PolarHBondContact O-N 3.25Å
224R78.9Confident88.6Confident227 Ų22786.7 Ų86.786%0.85743%0.425SS*.THydrogen-bonded Turntrans-62.3-27.4-179-65.2-175.4-178.1-177.7-0.8113.3V222 D226V222-R224 HydrophobicContact CG1-CG 4.05Å; V222-R224 PolarHBondContact O-N 3.13Å; R224-D226 VanDerWaalsContact C-N 3.34Å
225K80.4Confident88.6Confident187 Ų18785.5 Ų85.581%0.81342%0.419SS*.THydrogen-bonded Turntrans-66.9-39.4-179.7-175.4-178.6174.1-177.20111.4N223N223-K225 PolarHBondContact O-N 2.69Å; N223-K225 WeakPolarHBondContact OD1-CB 3.46Å; N223-K225 PolarHBondContact OD1-N 3.45Å; N223-K225 VanDerWaalsContact OD1-N 3.09Å
226D81.1Confident88.6Confident92 Ų9283.6 Ų83.649%0.49241%0.406SS..THydrogen-bonded Turntrans-103.11.9-175.3-54.3-37.2000112.4N223 R224 I228N223-D226 PolarHBondContact ND2-OD2 2.87Å; N223-D226 PolarHBondContact O-N 2.91Å; R224-D226 VanDerWaalsContact C-N 3.34Å; D226-I228 HydrophobicContact CB-CD1 3.81Å; D226-I228 HydrophobicContact CB-CG1 4.12Å; D226-I228 WeakPolarHBondContact O-CG1 3.34Å; D226-I228 PolarHBondContact O-N 3.35Å
227N81Confident88.6Confident149 Ų14980.2 Ų80.280%0.79739%0.392SS*.THydrogen-bonded Turntrans51.836.6-173-162.238.2000113.6N223N223-N227 PolarHBondContact O-N 3.1Å
228I81.4Confident88.7Confident85 Ų8582.5 Ų82.544%0.43640%0.401SS..EExtended strand (participates in β ladder)trans-106.7123.1-179.1-69.8167.8000108.7V222 N223 D226 V230V222-I228 CarbonylContact C-O 3.59Å; V222-I228 WeakPolarHBondContact CA-O 3.2Å; N223-I228 PolarHBondContact N-O 3.49Å; N223-I228 PolarHBondContact O-N 3.25Å; D226-I228 HydrophobicContact CB-CD1 3.81Å; D226-I228 HydrophobicContact CB-CG1 4.12Å; D226-I228 WeakPolarHBondContact O-CG1 3.34Å; D226-I228 PolarHBondContact O-N 3.35Å; I228-V230 HydrophobicContact CG2-CG1 3.57Å
229S86Confident88.9Confident58 Ų5875.6 Ų75.641%0.40637%0.369SS..EExtended strand (participates in β ladder)trans-103.5121.5163.4-168.70000108.7
230V87.9Confident89.2Confident24 Ų2471.8 Ų71.815%0.14536%0.356CS..EExtended strand (participates in β ladder)trans-115.1131.8177.1-72.20000110.6Y168 T221 I228 R232Y168-V230 HydrophobicContact CD1-CB 3.8Å; Y168-V230 HydrophobicContact CD1-CG1 3.79Å; Y168-V230 HydrophobicContact CD1-CG2 4.28Å; Y168-V230 HydrophobicContact CE1-CB 3.97Å; Y168-V230 HydrophobicContact CE1-CG1 3.4Å; Y168-V230 HydrophobicContact CE2-CG1 4.36Å; Y168-V230 HydrophobicContact CG-CB 4.25Å; Y168-V230 HydrophobicContact CG-CG1 4.42Å; T221-V230 PolarHBondContact N-O 3.07Å; T221-V230 WeakPolarHBondContact O-CG2 3.46Å; T221-V230 PolarHBondContact O-N 3.07Å; I228-V230 HydrophobicContact CG2-CG1 3.57Å; V230-R232 HydrophobicContact CG2-CG 4.49Å; V230-R232 PolarHBondContact O-N 3.42Å
231P91.5Very high89.5Confident84 Ų8466.2 Ų66.255%0.54533%0.329SS..EExtended strand (participates in β ladder)trans-65.7134.1169.929.5-33.5000108.5Y168 R219Y168-P231 WeakPolarHBondContact CB-O 3.23Å; R219-P231 CarbonylContact O-C 3.59Å
232R95.6Very high89.8Confident39 Ų3966.5 Ų66.515%0.14733%0.331CS..EExtended strand (participates in β ladder)trans-121.1140.6176.6-61.8-55.9-56.7-77.93.1109.5D167 H218 R219 T221 V230 F234D167-R232 WeakPolarHBondContact OD1-CA 3.36Å; D167-R232 IonicContact OD1-CZ 3.76Å; D167-R232 IonicContact OD1-NE 2.87Å; D167-R232 PolarHBondContact OD1-NE 2.85Å; D167-R232 IonicContact OD1-NH2 3.14Å; D167-R232 IonicContact OD2-CZ 3.35Å; D167-R232 IonicContact OD2-NE 3.1Å; D167-R232 PolarHBondContact OD2-NE 3.49Å; D167-R232 VanDerWaalsContact OD2-NE 3.1Å; D167-R232 IonicContact OD2-NH2 2.77Å; D167-R232 PolarHBondContact OD2-NH2 3.45Å; H218-R232 WeakPolarHBondContact CA-O 3.41Å; R219-R232 HydrophobicContact CB-CB 4.46Å; R219-R232 PolarHBondContact N-O 3.27Å; R219-R232 WeakPolarHBondContact O-CA 3.31Å; R219-R232 PolarHBondContact O-N 3.3Å; T221-R232 WeakPolarHBondContact OG1-CG 3.46Å; V230-R232 HydrophobicContact CG2-CG 4.49Å; V230-R232 PolarHBondContact O-N 3.42Å; R232-F234 HydrophobicContact CB-CE1 4.43Å; R232-F234 HydrophobicContact CB-CE2 3.81Å; R232-F234 HydrophobicContact CB-CZ 3.73Å; R232-F234 HydrophobicContact CG-CZ 4.24Å
233L97.1Very high89.4Confident26 Ų2666.1 Ų66.114%0.13634%0.336CS..EExtended strand (participates in β ladder)trans-118.2123.3175.3-165.862.3000109.2A164 Q165 D167 H218A164-L233 HydrophobicContact CB-CB 4.36Å; A164-L233 HydrophobicContact CB-CD2 4.13Å; A164-L233 HydrophobicContact CB-CG 3.81Å; A164-L233 PolarHBondContact N-O 2.57Å; Q165-L233 WeakPolarHBondContact O-CD2 3.29Å; D167-L233 HydrophobicContact CB-CB 4.12Å; D167-L233 WeakPolarHBondContact CB-O 3.34Å; D167-L233 PolarHBondContact OD1-N 2.82Å; H218-L233 VanDerWaalsContact CE1-CD1 3.45Å; H218-L233 WeakPolarHBondContact CE1-CD1 3.42Å; H218-L233 WeakPolarHBondContact NE2-CD1 3.49Å
234F97.5Very high88.8Confident20 Ų2068.4 Ų68.49%0.08835%0.347CS..EExtended strand (participates in β ladder)trans-120.7154.7175.1-56.7-57.7000109.9F128 R161 D162 Y163 Y216 L217 R219 R232F128-F234 AromaticContact CE1-CD1 3.55Å; F128-F234 HydrophobicContact CE1-CD1 3.55Å; F128-F234 AromaticContact CE1-CE1 3.61Å; F128-F234 HydrophobicContact CE1-CE1 3.61Å; F128-F234 HydrophobicContact CE1-CG 4.38Å; F128-F234 HydrophobicContact CE1-CZ 4.46Å; F128-F234 AromaticContact CZ-CD1 3.8Å; F128-F234 HydrophobicContact CZ-CD1 3.8Å; F128-F234 AromaticContact CZ-CE1 3.72Å; F128-F234 HydrophobicContact CZ-CE1 3.72Å; F128-F234 HydrophobicContact CZ-CG 4.3Å; F128-F234 HydrophobicContact CZ-CZ 4.14Å; R161-F234 HydrophobicContact CG-CB 4.47Å; D162-F234 CarbonylContact O-C 3.58Å; D162-F234 WeakPolarHBondContact O-CA 3.46Å; D162-F234 WeakPolarHBondContact O-CB 3.29Å; Y163-F234 HydrophobicContact CD1-CD1 4.13Å; Y163-F234 AromaticContact CD1-CE1 3.92Å; Y163-F234 HydrophobicContact CD1-CE1 3.92Å; Y163-F234 HydrophobicContact CE1-CE1 4.02Å; Y216-F234 CarbonylContact C-O 3.56Å; Y216-F234 WeakPolarHBondContact CA-O 3.47Å; L217-F234 PolarHBondContact N-O 3.23Å; L217-F234 PolarHBondContact O-N 3.48Å; R219-F234 HydrophobicContact CB-CD2 4.44Å; R219-F234 HydrophobicContact CB-CE2 4.13Å; R219-F234 HydrophobicContact CG-CD2 4.17Å; R219-F234 HydrophobicContact CG-CE2 4.23Å; R232-F234 HydrophobicContact CB-CE1 4.43Å; R232-F234 HydrophobicContact CB-CE2 3.81Å; R232-F234 HydrophobicContact CB-CZ 3.73Å; R232-F234 HydrophobicContact CG-CZ 4.24Å
235I98.5Very high87.7Confident0 Ų063.5 Ų63.50%035%0.345CS..EExtended strand (participates in β ladder)trans-99140.4166.1-169.2163.2000108.5R161 D162 A164 F195 K197 L200 I214 T215 Y216R161-I235 CarbonylContact C-O 3.38Å; R161-I235 VanDerWaalsContact CA-O 3.25Å; R161-I235 WeakPolarHBondContact CA-O 3.36Å; D162-I235 HydrophobicContact CB-CG2 4.17Å; D162-I235 PolarHBondContact N-O 3.07Å; D162-I235 PolarHBondContact O-N 2.99Å; A164-I235 HydrophobicContact CB-CB 4.22Å; F195-I235 HydrophobicContact CB-CD1 4.4Å; F195-I235 HydrophobicContact CB-CG2 4.07Å; K197-I235 HydrophobicContact CB-CD1 4.45Å; K197-I235 HydrophobicContact CG-CD1 4.04Å; L200-I235 HydrophobicContact CB-CD1 4.2Å; L200-I235 HydrophobicContact CD2-CD1 3.73Å; L200-I235 HydrophobicContact CD2-CG1 3.97Å; L200-I235 HydrophobicContact CD2-CG2 4.07Å; I214-I235 HydrophobicContact CD1-CD1 3.99Å; I214-I235 HydrophobicContact CG1-CD1 4.04Å; I214-I235 HydrophobicContact CG1-CG1 4.2Å; T215-I235 WeakPolarHBondContact O-CA 3.22Å; Y216-I235 HydrophobicContact CD1-CB 4.33Å; Y216-I235 HydrophobicContact CD1-CG1 4.44Å; Y216-I235 HydrophobicContact CE1-CB 4.43Å; Y216-I235 HydrophobicContact CE1-CD1 4.21Å; Y216-I235 HydrophobicContact CE1-CG1 4.42Å
236Q97.9Very high86Confident23 Ų2364.8 Ų64.811%0.10737%0.368CS..EExtended strand (participates in β ladder)trans-130.9130.7172.7177.6170.4-61.800109.4F159 V160 R161 I214 T215 L217F159-Q236 HydrophobicContact CE2-CG 3.75Å; F159-Q236 VanDerWaalsContact CZ-CD 3.45Å; F159-Q236 HydrophobicContact CZ-CG 3.61Å; V160-Q236 CarbonylContact O-C 3.56Å; V160-Q236 VanDerWaalsContact O-CA 3.29Å; V160-Q236 WeakPolarHBondContact O-CA 3.48Å; R161-Q236 VanDerWaalsContact CZ-OE1 3.29Å; R161-Q236 VanDerWaalsContact NE-OE1 3.14Å; I214-Q236 CarbonylContact C-O 3.6Å; I214-Q236 WeakPolarHBondContact CA-O 3.35Å; T215-Q236 HydrophobicContact CG2-CB 4.39Å; T215-Q236 PolarHBondContact N-O 2.84Å; T215-Q236 PolarHBondContact O-N 3.25Å; L217-Q236 HydrophobicContact CD1-CB 3.6Å; L217-Q236 HydrophobicContact CD1-CG 4.27Å; L217-Q236 HydrophobicContact CG-CB 4.11Å
237A98.1Very high86.2Confident0 Ų063.5 Ų63.50%036%0.362CS..EExtended strand (participates in β ladder)trans-137.6150.5-179.800000111.7V160 L200 S213 I214 F239V160-A237 HydrophobicContact CB-CB 4.34Å; V160-A237 PolarHBondContact N-O 3.23Å; V160-A237 PolarHBondContact O-N 2.81Å; L200-A237 HydrophobicContact CD2-CB 3.87Å; S213-A237 CarbonylContact O-C 3.58Å; S213-A237 WeakPolarHBondContact O-CA 3.11Å; I214-A237 HydrophobicContact CB-CB 4.23Å; I214-A237 HydrophobicContact CD1-CB 4.21Å; I214-A237 HydrophobicContact CG1-CB 3.92Å; A237-F239 HydrophobicContact CB-CD2 4.24Å; A237-F239 HydrophobicContact CB-CE2 3.47Å; A237-F239 VanDerWaalsContact CB-CE2 3.47Å; A237-F239 HydrophobicContact CB-CZ 3.77Å
238K97.5Very high86.5Confident83 Ų8358.9 Ų58.936%0.36134%0.339SS..EExtended strand (participates in β ladder)trans-125.4123.7168.7-171.5175.9-173.41710108.5V158 A212 S213V158-K238 WeakPolarHBondContact O-CA 3.39Å; A212-K238 WeakPolarHBondContact CA-O 3.36Å; A212-K238 HydrophobicContact CB-CB 4.35Å; A212-K238 HydrophobicContact CB-CG 4.34Å; A212-K238 WeakPolarHBondContact CB-O 3.48Å; A212-K238 PolarHBondContact N-O 2.88Å; S213-K238 PolarHBondContact N-O 3.09Å; S213-K238 PolarHBondContact O-N 3.07Å
239F97.7Very high86.8Confident0 Ų057.5 Ų57.50%033%0.334CS..EExtended strand (participates in β ladder)trans-113141.7175.8-61.2-76.1000109.3S157 V158 V160 L200 F204 F209 R210 E211 A237S157-F239 CarbonylContact C-O 3.57Å; S157-F239 VanDerWaalsContact CA-O 3.24Å; S157-F239 WeakPolarHBondContact CA-O 3.39Å; V158-F239 HydrophobicContact CB-CB 4.34Å; V158-F239 PolarHBondContact N-O 3Å; V158-F239 PolarHBondContact O-N 3.14Å; V160-F239 HydrophobicContact CG2-CD2 4.17Å; V160-F239 HydrophobicContact CG2-CE2 4.06Å; L200-F239 HydrophobicContact CG-CE2 4.28Å; L200-F239 HydrophobicContact CG-CZ 4.19Å; F204-F239 HydrophobicContact CB-CB 4.46Å; F204-F239 HydrophobicContact CB-CD1 3.46Å; F204-F239 VanDerWaalsContact CB-CD1 3.46Å; F204-F239 HydrophobicContact CB-CD2 3.94Å; F204-F239 HydrophobicContact CB-CE1 3.54Å; F204-F239 HydrophobicContact CB-CE2 3.98Å; F204-F239 HydrophobicContact CB-CG 3.68Å; F204-F239 HydrophobicContact CB-CZ 3.79Å; F204-F239 HydrophobicContact CD1-CB 4.13Å; F204-F239 AromaticContact CD1-CD2 3.65Å; F204-F239 HydrophobicContact CD1-CD2 3.65Å; F204-F239 HydrophobicContact CD1-CE2 4.17Å; F204-F239 AromaticContact CD1-CG 3.84Å; F204-F239 HydrophobicContact CD1-CG 3.84Å; F204-F239 AromaticContact CD2-CD2 3.79Å; F204-F239 HydrophobicContact CD2-CD2 3.79Å; F204-F239 HydrophobicContact CD2-CE1 4.41Å; F204-F239 AromaticContact CD2-CE2 3.41Å; F204-F239 HydrophobicContact CD2-CE2 3.41Å; F204-F239 VanDerWaalsContact CD2-CE2 3.41Å; F204-F239 HydrophobicContact CD2-CG 4.42Å; F204-F239 AromaticContact CD2-CZ 3.77Å; F204-F239 HydrophobicContact CD2-CZ 3.77Å; F204-F239 HydrophobicContact CE1-CD2 4.09Å; F204-F239 HydrophobicContact CE2-CD2 4.21Å; F204-F239 AromaticContact CE2-CE2 3.9Å; F204-F239 HydrophobicContact CE2-CE2 3.9Å; F204-F239 HydrophobicContact CG-CB 4.46Å; F204-F239 HydrophobicContact CG-CD1 4Å; F204-F239 AromaticContact CG-CD2 3.49Å; F204-F239 HydrophobicContact CG-CD2 3.49Å; F204-F239 VanDerWaalsContact CG-CD2 3.49Å; F204-F239 HydrophobicContact CG-CE1 4.09Å; F204-F239 AromaticContact CG-CE2 3.57Å; F204-F239 HydrophobicContact CG-CE2 3.57Å; F204-F239 AromaticContact CG-CG 3.71Å; F204-F239 HydrophobicContact CG-CG 3.71Å; F204-F239 AromaticContact CG-CZ 3.88Å; F204-F239 HydrophobicContact CG-CZ 3.88Å; F204-F239 HydrophobicContact CZ-CD2 4.35Å; F204-F239 HydrophobicContact CZ-CE2 4.46Å; F209-F239 HydrophobicContact CB-CB 4Å; F209-F239 HydrophobicContact CB-CD1 4.45Å; F209-F239 HydrophobicContact CD1-CB 4.02Å; F209-F239 HydrophobicContact CG-CB 4.15Å; R210-F239 CarbonylContact O-C 3.6Å; R210-F239 WeakPolarHBondContact O-CA 3.37Å; E211-F239 HydrophobicContact CB-CD1 4.22Å; E211-F239 HydrophobicContact CB-CE1 4.1Å; E211-F239 HydrophobicContact CG-CD1 4.44Å; E211-F239 HydrophobicContact CG-CE1 4.04Å; A237-F239 HydrophobicContact CB-CD2 4.24Å; A237-F239 HydrophobicContact CB-CE2 3.47Å; A237-F239 VanDerWaalsContact CB-CE2 3.47Å; A237-F239 HydrophobicContact CB-CZ 3.77Å
240K95.9Very high86.8Confident56 Ų5657.5 Ų57.524%0.24333%0.33CS..EExtended strand (participates in β ladder)trans-112.5133179.9-79.1-67.6-163.6175.20110.2A155 S157 R210 A212 V242A155-K240 PolarHBondContact O-NZ 3.13Å; S157-K240 WeakPolarHBondContact OG-CD 3.48Å; S157-K240 VanDerWaalsContact OG-CE 3.29Å; S157-K240 WeakPolarHBondContact OG-CE 2.94Å; S157-K240 PolarHBondContact OG-NZ 3.26Å; R210-K240 PolarHBondContact N-O 2.71Å; R210-K240 PolarHBondContact O-N 3.39Å; A212-K240 HydrophobicContact CB-CG 4.05Å; K240-V242 PolarHBondContact O-N 3.03Å
241K94.2Very high86.7Confident30 Ų3059.6 Ų59.613%0.1334%0.341CS..EExtended strand (participates in β ladder)trans-70.3114.7169.9-170.7166.9-169.2175.10109.1W146 S150 L152 A155 G156 F209W146-K241 HydrophobicContact CE3-CD 4.5Å; W146-K241 HydrophobicContact CE3-CG 3.86Å; W146-K241 HydrophobicContact CH2-CG 4.08Å; W146-K241 HydrophobicContact CZ3-CB 4.14Å; W146-K241 HydrophobicContact CZ3-CG 3.58Å; W146-K241 WeakPolarHBondContact O-CE 3.33Å; W146-K241 PolarHBondContact O-NZ 3.25Å; S150-K241 PolarHBondContact OG-NZ 3.19Å; L152-K241 HydrophobicContact CB-CD 4.39Å; L152-K241 HydrophobicContact CD2-CB 3.96Å; L152-K241 HydrophobicContact CD2-CD 4.31Å; A155-K241 WeakPolarHBondContact CA-O 3.48Å; A155-K241 PolarHBondContact N-O 2.81Å; G156-K241 PolarHBondContact O-N 3.09Å; F209-K241 HydrophobicContact CE1-CB 4.35Å
242V86.6Confident86.4Confident66 Ų6657.9 Ų57.940%0.433%0.328SS..PPolyproline II helixtrans-80.8141.9172.7-166.10000107.6W146 R210 K240 L244W146-V242 HydrophobicContact CH2-CB 4.04Å; W146-V242 WeakPolarHBondContact CH2-O 3.44Å; R210-V242 HydrophobicContact CB-CG2 3.61Å; K240-V242 PolarHBondContact O-N 3.03Å; V242-L244 PolarHBondContact O-N 3.29Å
243A73.3Confident85.8Confident70 Ų7059.3 Ų59.358%0.57934%0.34SS*.PPolyproline II helixtrans-59.9136.9168.500000108.4
244L65.8Low84.9Confident117 Ų11761.8 Ų61.861%0.61336%0.356SS*.PPolyproline II helixtrans-57.4136.3165.8-69170.9000107.1W146 V242 V246W146-L244 HydrophobicContact CZ2-CD2 4.23Å; V242-L244 PolarHBondContact O-N 3.29Å; L244-V246 PolarHBondContact O-N 3.27Å; L244-V246 VanDerWaalsContact O-N 3.16Å
245P56.5Low83.9Confident125 Ų12565.3 Ų65.381%0.81238%0.379SS*.PPolyproline II helixtrans-52.4126170.1-20.130.8000108.2
246V44.4Very low82.5Confident214 Ų21471.3 Ų71.3100%1.29741%0.413SS*.  trans-65.60168.7-178.40000108.6L244L244-V246 PolarHBondContact O-N 3.27Å; L244-V246 VanDerWaalsContact O-N 3.16Å

Retrieved 246 of 246 residues in 46.5 ms (Link to these results)

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