A0A096NFN6_PAPAN Loading...

Cathepsin K

Thiol protease involved in osteoclastic bone resorption and may participate partially in the disorder of bone remodeling. Displays potent endoprotease activity against fibrinogen at acid pH. May play an important role in extracellular matrix degradation. Involved in the release of thyroid hormone thyroxine (T4) by limited proteolysis of TG/thyroglobulin in the thyroid follicle lumen.

AlphaFold DB , UniProt , Accession A0A096NFN6, Species PAPAN (Papio anubis, Olive baboon), Gene CTSS, Length 331 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.4Very low41.8Very low242 Ų242160.7 Ų160.7100%1.19284%0.844SS**  090.60-99.5-174.8-82.700110
2K36Very low42Very low214 Ų214156.4 Ų156.493%0.9384%0.837SS**  trans-145.1126.4157.9-76.6-167178176.70107.5
3R39.8Very low42.3Very low243 Ų243152.5 Ų152.592%0.91783%0.829SS**  trans-76.7137.5-160.4-68176.2171.5-175.7-3.8111.4V5R3-V5 PolarHBondContact O-N 2.76Å
4L40.6Very low42.4Very low167 Ų167148.8 Ų148.887%0.87483%0.83SS**  trans-59.8126.3163.4-117.283.6000108.9
5V42.5Very low42.7Very low126 Ų126147.1 Ų147.176%0.76482%0.824SS**  trans-92.9102.5168.2176.60000107.1R3 V7R3-V5 PolarHBondContact O-N 2.76Å; V5-V7 HydrophobicContact CG1-CG2 4.06Å; V5-V7 PolarHBondContact O-N 3.18Å
6C40.6Very low43.1Very low108 Ų108143.8 Ų143.873%0.7382%0.821SS**  trans-76.2108.4164.4-86.50000108.3L8C6-L8 PolarHBondContact O-N 3.31Å
7V44.6Very low43.8Very low118 Ų118144 Ų14472%0.71581%0.813SS**  trans-82.6103.1165.8178.70000107.3V5 L9V5-V7 HydrophobicContact CG1-CG2 4.06Å; V5-V7 PolarHBondContact O-N 3.18Å; V7-L9 PolarHBondContact O-N 2.84Å
8L41.6Very low45Very low155 Ų155143.3 Ų143.381%0.81281%0.806SS**  trans-73.1103.4169.1-79.8159.8000108.5C6 V10C6-L8 PolarHBondContact O-N 3.31Å; L8-V10 PolarHBondContact O-N 2.89Å; L8-V10 VanDerWaalsContact O-N 3.14Å
9L43.9Very low47.1Very low154 Ų154143.2 Ų143.281%0.80680%0.798SS**  trans-69.799.1164.1-90.9149.8000108.4V7 C11V7-L9 PolarHBondContact O-N 2.84Å; L9-C11 PolarHBondContact O-N 2.95Å
10V45.9Very low49.3Very low124 Ų124141.9 Ų141.975%0.75278%0.784SS**  trans-78.394.6167.6-179.20000107.3L8 S12L8-V10 PolarHBondContact O-N 2.89Å; L8-V10 VanDerWaalsContact O-N 3.14Å; V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 3.44Å
11C42.5Very low51.4Low117 Ų117138.2 Ų138.279%0.79176%0.763SS**  trans-69.592.7164.2-76.20000108.4L9 S13L9-C11 PolarHBondContact O-N 2.95Å; C11-S13 PolarHBondContact O-N 3.23Å; C11-S13 VanDerWaalsContact O-N 3.07Å
12S44.3Very low54Low109 Ų109131.1 Ų131.176%0.76274%0.735SS**  trans-69.597.8166.239.60000108.9V10 A14V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 3.44Å; S12-A14 PolarHBondContact O-N 3.36Å; S12-A14 VanDerWaalsContact O-N 3.07Å
13S45.8Very low56.9Low105 Ų105125.8 Ų125.873%0.73472%0.721SS**  trans-66.999165.636.60000108.6C11 V15C11-S13 PolarHBondContact O-N 3.23Å; C11-S13 VanDerWaalsContact O-N 3.07Å; S13-V15 VanDerWaalsContact C-N 3.33Å; S13-V15 PolarHBondContact O-N 3.24Å
14A44.7Very low59.7Low101 Ų101116 Ų11684%0.83569%0.686SS**  trans-67.494.5168.300000108.4S12 A16S12-A14 PolarHBondContact O-N 3.36Å; S12-A14 VanDerWaalsContact O-N 3.07Å; A14-A16 PolarHBondContact O-N 3.41Å; A14-A16 VanDerWaalsContact O-N 3.1Å
15V46Very low62.4Low124 Ų124110.9 Ų110.975%0.75266%0.66SS**  trans-70102.3165-174.10000105.9S13 Q17S13-V15 VanDerWaalsContact C-N 3.33Å; S13-V15 PolarHBondContact O-N 3.24Å; V15-Q17 PolarHBondContact O-N 3Å
16A49.7Very low65.1Low93 Ų93111.3 Ų111.377%0.76965%0.653SS**  trans-58109.4172.700000108.2A14 L18A14-A16 PolarHBondContact O-N 3.41Å; A14-A16 VanDerWaalsContact O-N 3.1Å; A16-L18 PolarHBondContact O-N 3.26Å
17Q55Low67.8Low148 Ų148111.3 Ų111.369%0.69264%0.642SS**  trans-63.1119.1169.8-80.7175.3-2300107.6V15 H19V15-Q17 PolarHBondContact O-N 3Å; Q17-H19 VanDerWaalsContact C-N 3.33Å; Q17-H19 VanDerWaalsContact CB-NE2 3.34Å; Q17-H19 WeakPolarHBondContact CB-NE2 3.2Å; Q17-H19 PolarHBondContact O-CD2 3.45Å; Q17-H19 VanDerWaalsContact O-CD2 3.29Å; Q17-H19 PolarHBondContact O-N 2.69Å; Q17-H19 PolarHBondContact OE1-NE2 3.39Å; Q17-H19 VanDerWaalsContact OE1-NE2 3.12Å
18L64.9Low70.4Confident132 Ų132106.1 Ų106.169%0.69161%0.61SS**  trans-70.893.2175.2-155.180.6000107.8A16 L50A16-L18 PolarHBondContact O-N 3.26Å; L18-L50 HydrophobicContact CD2-CB 4.49Å; L18-L50 HydrophobicContact CD2-CD2 4.33Å; L18-L50 HydrophobicContact CG-CD2 4.48Å
19H84.6Confident73.1Confident140 Ų140104.1 Ų104.165%0.64860%0.596SS**  trans-87.5142.1175.2-72.5-69.3000109.7Q17Q17-H19 VanDerWaalsContact C-N 3.33Å; Q17-H19 VanDerWaalsContact CB-NE2 3.34Å; Q17-H19 WeakPolarHBondContact CB-NE2 3.2Å; Q17-H19 PolarHBondContact O-CD2 3.45Å; Q17-H19 VanDerWaalsContact O-CD2 3.29Å; Q17-H19 PolarHBondContact O-N 2.69Å; Q17-H19 PolarHBondContact OE1-NE2 3.39Å; Q17-H19 VanDerWaalsContact OE1-NE2 3.12Å
20K91.1Very high75.7Confident117 Ų117101.1 Ų101.151%0.50958%0.58SS.*  trans-61.6146.5173.860.3169.9-173.6153.80110.9P22 D25 R49 L50K20-P22 WeakPolarHBondContact O-CD 3.39Å; K20-D25 IonicContact NZ-OD1 3.89Å; K20-D25 IonicContact NZ-OD2 3.77Å; K20-R49 HydrophobicContact CB-CG 4.28Å; K20-L50 HydrophobicContact CB-CD2 4.24Å
21D94.1Very high78.2Confident66 Ų6696 Ų9635%0.35355%0.548SS..  trans-82.9112.6174.1-172.8-20.9000110.7T23 L24 R49 E53D21-T23 PolarHBondContact O-N 3.3Å; D21-T23 VanDerWaalsContact OD1-CB 3.32Å; D21-T23 WeakPolarHBondContact OD1-CB 3.35Å; D21-T23 WeakPolarHBondContact OD1-CG2 3.43Å; D21-T23 PolarHBondContact OD1-N 2.91Å; D21-T23 PolarHBondContact OD1-OG1 2.84Å; D21-T23 PolarHBondContact OD2-OG1 3.17Å; D21-L24 HydrophobicContact CB-CD1 4.12Å; D21-L24 HydrophobicContact CB-CG 4.26Å; D21-L24 PolarHBondContact O-N 3.31Å; D21-L24 VanDerWaalsContact O-N 3.11Å; D21-R49 PolarHBondContact O-NH2 2.87Å; D21-E53 PolarHBondContact N-OE1 2.97Å; D21-E53 VanDerWaalsContact N-OE1 3.1Å; D21-E53 PolarHBondContact N-OE2 3.14Å
22P96Very high80.9Confident93 Ų9392 Ų9260%0.60452%0.517SS*.G310 helixtrans-63.6-22.1-17927.4-34.8000113.2K20 L24 D25K20-P22 WeakPolarHBondContact O-CD 3.39Å; P22-L24 PolarHBondContact O-N 3.49Å; P22-D25 WeakPolarHBondContact O-CB 3.46Å; P22-D25 PolarHBondContact O-N 2.84Å
23T97.7Very high83.5Confident102 Ų10294.5 Ų94.563%0.62651%0.514SS*.G310 helixtrans-67.8-21.1177.670.70000112.5D21D21-T23 PolarHBondContact O-N 3.3Å; D21-T23 VanDerWaalsContact OD1-CB 3.32Å; D21-T23 WeakPolarHBondContact OD1-CB 3.35Å; D21-T23 WeakPolarHBondContact OD1-CG2 3.43Å; D21-T23 PolarHBondContact OD1-N 2.91Å; D21-T23 PolarHBondContact OD1-OG1 2.84Å; D21-T23 PolarHBondContact OD2-OG1 3.17Å
24L98Very high85.9Confident36 Ų3693.9 Ų93.919%0.18851%0.506CS..G310 helixtrans-91.41.2178.3-63.4177.7000113.5D21 P22 H26 H27 W28 R49 W52 E53 L56D21-L24 HydrophobicContact CB-CD1 4.12Å; D21-L24 HydrophobicContact CB-CG 4.26Å; D21-L24 PolarHBondContact O-N 3.31Å; D21-L24 VanDerWaalsContact O-N 3.11Å; P22-L24 PolarHBondContact O-N 3.49Å; L24-H26 VanDerWaalsContact C-N 3.34Å; L24-H26 PolarHBondContact O-N 2.98Å; L24-H27 PolarHBondContact O-N 3.12Å; L24-H27 VanDerWaalsContact O-N 3.11Å; L24-W28 WeakPolarHBondContact O-CB 3.31Å; L24-W28 PolarHBondContact O-N 3.35Å; L24-R49 VanDerWaalsContact C-NH2 3.31Å; L24-W52 HydrophobicContact CB-CZ3 4.09Å; L24-W52 HydrophobicContact CD1-CZ3 4.09Å; L24-E53 HydrophobicContact CD1-CG 3.91Å; L24-L56 HydrophobicContact CD1-CD2 3.94Å; L24-L56 HydrophobicContact CD2-CD2 4.12Å
25D97.9Very high88.5Confident61 Ų6192.2 Ų92.233%0.32648%0.478SS..Hα-helixtrans-59.5-40.7-175.3-81.4-8.3000113.3K20 P22 H29 R49K20-D25 IonicContact NZ-OD1 3.89Å; K20-D25 IonicContact NZ-OD2 3.77Å; P22-D25 WeakPolarHBondContact O-CB 3.46Å; P22-D25 PolarHBondContact O-N 2.84Å; D25-H29 PolarHBondContact O-N 3.46Å; D25-H29 VanDerWaalsContact O-N 3.08Å; D25-R49 IonicContact OD1-CZ 3.28Å; D25-R49 VanDerWaalsContact OD1-CZ 3.28Å; D25-R49 IonicContact OD1-NH1 2.78Å; D25-R49 PolarHBondContact OD1-NH1 3.43Å; D25-R49 IonicContact OD1-NH2 2.92Å; D25-R49 PolarHBondContact OD1-NH2 2.83Å
26H98.2Very high90.9Very high135 Ų13588.9 Ų88.963%0.62547%0.469SS*.Hα-helixtrans-66.5-43.1175.5-174.670.3000112.2L24 H29 L30L24-H26 VanDerWaalsContact C-N 3.34Å; L24-H26 PolarHBondContact O-N 2.98Å; H26-H29 PolarHBondContact O-N 2.92Å; H26-L30 PolarHBondContact O-N 2.89Å
27H98.4Very high93.1Very high108 Ų10886.8 Ų86.850%0.544%0.443SS..Hα-helixtrans-65.1-41.3179.9-6790000111.8L24 L30 W31 W52L24-H27 PolarHBondContact O-N 3.12Å; L24-H27 VanDerWaalsContact O-N 3.11Å; H27-L30 PolarHBondContact O-N 3.32Å; H27-W31 WeakPolarHBondContact O-CB 3.37Å; H27-W31 PolarHBondContact O-N 3.31Å; H27-W52 HydrophobicContact CB-CH2 4.02Å
28W98.4Very high95.1Very high8 Ų887.1 Ų87.13%0.0344%0.444CS..Hα-helixtrans-59.8-47.7172.7170.5-119.5000111.9L24 L30 W31 K32 Y39 E45 R48 R49 W52 D82L24-W28 WeakPolarHBondContact O-CB 3.31Å; L24-W28 PolarHBondContact O-N 3.35Å; W28-L30 VanDerWaalsContact C-N 3.33Å; W28-L30 PolarHBondContact O-N 3.08Å; W28-W31 AromaticContact CE3-CE3 3.79Å; W28-W31 HydrophobicContact CE3-CE3 3.79Å; W28-W31 HydrophobicContact CE3-CZ3 4.25Å; W28-W31 HydrophobicContact CH2-CE3 4.23Å; W28-W31 AromaticContact CH2-CZ3 3.89Å; W28-W31 HydrophobicContact CH2-CZ3 3.89Å; W28-W31 HydrophobicContact CZ3-CD2 4.44Å; W28-W31 AromaticContact CZ3-CE3 3.41Å; W28-W31 HydrophobicContact CZ3-CE3 3.41Å; W28-W31 VanDerWaalsContact CZ3-CE3 3.41Å; W28-W31 HydrophobicContact CZ3-CH2 4.45Å; W28-W31 AromaticContact CZ3-CZ3 3.41Å; W28-W31 HydrophobicContact CZ3-CZ3 3.41Å; W28-W31 VanDerWaalsContact CZ3-CZ3 3.41Å; W28-W31 PolarHBondContact O-N 2.96Å; W28-K32 HydrophobicContact CD2-CD 4.2Å; W28-K32 HydrophobicContact CD2-CG 3.98Å; W28-K32 HydrophobicContact CE3-CG 4.23Å; W28-K32 HydrophobicContact CH2-CD 4.33Å; W28-K32 HydrophobicContact CH2-CG 4.12Å; W28-K32 HydrophobicContact CZ2-CD 3.63Å; W28-K32 HydrophobicContact CZ2-CG 3.88Å; W28-K32 HydrophobicContact CZ3-CG 4.28Å; W28-K32 WeakPolarHBondContact O-CG 3.27Å; W28-K32 PolarHBondContact O-N 3.4Å; W28-Y39 AromaticContact CH2-CE2 3.82Å; W28-Y39 HydrophobicContact CH2-CE2 3.82Å; W28-Y39 AromaticContact CH2-CZ 3.9Å; W28-Y39 VanDerWaalsContact CH2-OH 3.28Å; W28-Y39 WeakPolarHBondContact CH2-OH 3.48Å; W28-Y39 HydrophobicContact CZ2-CD2 4.44Å; W28-Y39 AromaticContact CZ2-CE2 3.53Å; W28-Y39 HydrophobicContact CZ2-CE2 3.53Å; W28-E45 HydrophobicContact CZ2-CG 4.19Å; W28-E45 PolarHBondContact NE1-OE1 2.86Å; W28-R48 HydrophobicContact CH2-CB 4.05Å; W28-R48 HydrophobicContact CZ2-CB 4.4Å; W28-R49 HydrophobicContact CD2-CB 4.44Å; W28-R49 VanDerWaalsContact CG-NH1 3.29Å; W28-R49 HydrophobicContact CH2-CB 4.48Å; W28-R49 HydrophobicContact CZ2-CB 4Å; W28-W52 HydrophobicContact CB-CZ3 4.47Å; W28-W52 HydrophobicContact CE3-CB 4Å; W28-W52 AromaticContact CE3-CD1 3.99Å; W28-W52 AromaticContact CE3-CD2 3.7Å; W28-W52 HydrophobicContact CE3-CD2 3.7Å; W28-W52 HydrophobicContact CE3-CE3 4.09Å; W28-W52 AromaticContact CE3-CG 3.64Å; W28-W52 HydrophobicContact CE3-CG 3.64Å; W28-W52 HydrophobicContact CH2-CB 4.35Å; W28-W52 HydrophobicContact CZ3-CB 3.5Å; W28-W52 AromaticContact CZ3-CD1 3.74Å; W28-W52 HydrophobicContact CZ3-CD2 4.09Å; W28-W52 AromaticContact CZ3-CG 3.49Å; W28-W52 HydrophobicContact CZ3-CG 3.49Å; W28-W52 VanDerWaalsContact CZ3-CG 3.49Å; W28-D82 HydrophobicContact CH2-CB 4.38Å; W28-D82 HydrophobicContact CZ3-CB 4.5Å
29H98.3Very high96.5Very high114 Ų11482.6 Ų82.653%0.52842%0.418SS..Hα-helixtrans-60.2-44.3178.3-178.380.1000111.7D25 H26 K32 K33D25-H29 PolarHBondContact O-N 3.46Å; D25-H29 VanDerWaalsContact O-N 3.08Å; H26-H29 PolarHBondContact O-N 2.92Å; H29-K32 PolarHBondContact O-N 3.34Å; H29-K33 WeakPolarHBondContact O-CB 3.33Å; H29-K33 PolarHBondContact O-N 2.85Å
30L98.5Very high96.9Very high90 Ų9084.8 Ų84.847%0.47143%0.426SS..Hα-helixtrans-62.5-47176.8-176.662.3000111.4H26 H27 W28 K32 K33 T34H26-L30 PolarHBondContact O-N 2.89Å; H27-L30 PolarHBondContact O-N 3.32Å; W28-L30 VanDerWaalsContact C-N 3.33Å; W28-L30 PolarHBondContact O-N 3.08Å; L30-K32 PolarHBondContact O-N 2.97Å; L30-K33 PolarHBondContact O-N 2.75Å; L30-K33 VanDerWaalsContact O-N 3.17Å; L30-T34 PolarHBondContact O-N 2.78Å; L30-T34 PolarHBondContact O-OG1 2.94Å
31W98.7Very high97Very high18 Ų1886.4 Ų86.47%0.06844%0.435CS..Hα-helixtrans-59.5-45.1178.1179.691.9000111.9H27 W28 K33 T34 Y35 K37 W52 M77 N78 D82H27-W31 WeakPolarHBondContact O-CB 3.37Å; H27-W31 PolarHBondContact O-N 3.31Å; W28-W31 AromaticContact CE3-CE3 3.79Å; W28-W31 HydrophobicContact CE3-CE3 3.79Å; W28-W31 HydrophobicContact CE3-CZ3 4.25Å; W28-W31 HydrophobicContact CH2-CE3 4.23Å; W28-W31 AromaticContact CH2-CZ3 3.89Å; W28-W31 HydrophobicContact CH2-CZ3 3.89Å; W28-W31 HydrophobicContact CZ3-CD2 4.44Å; W28-W31 AromaticContact CZ3-CE3 3.41Å; W28-W31 HydrophobicContact CZ3-CE3 3.41Å; W28-W31 VanDerWaalsContact CZ3-CE3 3.41Å; W28-W31 HydrophobicContact CZ3-CH2 4.45Å; W28-W31 AromaticContact CZ3-CZ3 3.41Å; W28-W31 HydrophobicContact CZ3-CZ3 3.41Å; W28-W31 VanDerWaalsContact CZ3-CZ3 3.41Å; W28-W31 PolarHBondContact O-N 2.96Å; W31-K33 VanDerWaalsContact C-N 3.32Å; W31-K33 PolarHBondContact O-N 3.16Å; W31-T34 PolarHBondContact O-N 3.16Å; W31-Y35 AromaticContact CD1-CD2 3.66Å; W31-Y35 AromaticContact CD1-CE2 3.47Å; W31-Y35 VanDerWaalsContact CD1-CE2 3.47Å; W31-Y35 AromaticContact CD2-CD2 3.99Å; W31-Y35 HydrophobicContact CD2-CD2 3.99Å; W31-Y35 AromaticContact CE2-CD2 3.54Å; W31-Y35 AromaticContact CE2-CE2 3.94Å; W31-Y35 HydrophobicContact CG-CD2 4.04Å; W31-Y35 HydrophobicContact CG-CE2 4.26Å; W31-Y35 HydrophobicContact CZ2-CD2 4.05Å; W31-Y35 AromaticContact NE1-CD2 3.34Å; W31-Y35 VanDerWaalsContact NE1-CD2 3.34Å; W31-Y35 AromaticContact NE1-CE2 3.24Å; W31-Y35 WeakPolarHBondContact O-CD2 3.14Å; W31-Y35 PolarHBondContact O-N 3.11Å; W31-Y35 VanDerWaalsContact O-N 3.08Å; W31-K37 HydrophobicContact CE3-CG 4.36Å; W31-K37 HydrophobicContact CH2-CD 3.94Å; W31-K37 VanDerWaalsContact CH2-CE 3.49Å; W31-K37 HydrophobicContact CH2-CG 3.8Å; W31-K37 HydrophobicContact CZ3-CB 4.31Å; W31-K37 HydrophobicContact CZ3-CD 4.14Å; W31-K37 HydrophobicContact CZ3-CG 3.6Å; W31-W52 HydrophobicContact CB-CZ2 4.31Å; W31-W52 AromaticContact CD1-NE1 3.41Å; W31-W52 AromaticContact CD2-CD1 3.53Å; W31-W52 AromaticContact CD2-NE1 3.3Å; W31-W52 VanDerWaalsContact CD2-NE1 3.3Å; W31-W52 AromaticContact CE2-CD1 3.6Å; W31-W52 AromaticContact CE2-NE1 3.57Å; W31-W52 AromaticContact CE3-CD1 3.77Å; W31-W52 AromaticContact CE3-NE1 3.89Å; W31-W52 HydrophobicContact CG-CZ2 4.5Å; W31-W52 AromaticContact CG-NE1 3.25Å; W31-W52 AromaticContact CZ2-CD1 3.98Å; W31-W52 AromaticContact NE1-CD1 4Å; W31-W52 AromaticContact NE1-NE1 3.58Å; W31-M77 PolarHBondContact NE1-O 3.39Å; W31-N78 WeakPolarHBondContact CZ2-O 3.48Å; W31-N78 PolarHBondContact NE1-O 2.83Å; W31-D82 HydrophobicContact CH2-CB 3.58Å; W31-D82 VanDerWaalsContact CH2-CG 3.43Å; W31-D82 HydrophobicContact CZ2-CB 4.49Å; W31-D82 HydrophobicContact CZ3-CB 3.98Å
32K98.5Very high96.7Very high33 Ų3392.2 Ų92.214%0.14346%0.457CS..Hα-helixtrans-58.6-45.1174.7-72.3-166.8-56.6177.80111.6W28 H29 L30 Y35 G36 K37 Y39 E45W28-K32 HydrophobicContact CD2-CD 4.2Å; W28-K32 HydrophobicContact CD2-CG 3.98Å; W28-K32 HydrophobicContact CE3-CG 4.23Å; W28-K32 HydrophobicContact CH2-CD 4.33Å; W28-K32 HydrophobicContact CH2-CG 4.12Å; W28-K32 HydrophobicContact CZ2-CD 3.63Å; W28-K32 HydrophobicContact CZ2-CG 3.88Å; W28-K32 HydrophobicContact CZ3-CG 4.28Å; W28-K32 WeakPolarHBondContact O-CG 3.27Å; W28-K32 PolarHBondContact O-N 3.4Å; H29-K32 PolarHBondContact O-N 3.34Å; L30-K32 PolarHBondContact O-N 2.97Å; K32-Y35 PolarHBondContact O-N 3.4Å; K32-G36 CarbonylContact O-C 3.46Å; K32-G36 WeakPolarHBondContact O-CA 3.37Å; K32-G36 PolarHBondContact O-N 2.79Å; K32-K37 HydrophobicContact CB-CB 4.08Å; K32-K37 HydrophobicContact CG-CB 4.09Å; K32-K37 PolarHBondContact O-N 3.46Å; K32-Y39 HydrophobicContact CD-CD2 4.19Å; K32-Y39 HydrophobicContact CD-CE2 3.56Å; K32-Y39 HydrophobicContact CG-CE2 4.15Å; K32-E45 IonicContact NZ-OE1 3.66Å; K32-E45 PolarHBondContact NZ-OE1 2.92Å; K32-E45 IonicContact NZ-OE2 2.91Å; K32-E45 PolarHBondContact NZ-OE2 3.1Å; K32-E45 VanDerWaalsContact NZ-OE2 3.14Å
33K98.1Very high96.4Very high160 Ų16093.3 Ų93.370%0.69646%0.458SS*.Hα-helixtrans-63-44.9178.9-175.6178.4178.4-178.50111.5H29 L30 W31 Y35 G36H29-K33 WeakPolarHBondContact O-CB 3.33Å; H29-K33 PolarHBondContact O-N 2.85Å; L30-K33 PolarHBondContact O-N 2.75Å; L30-K33 VanDerWaalsContact O-N 3.17Å; W31-K33 VanDerWaalsContact C-N 3.32Å; W31-K33 PolarHBondContact O-N 3.16Å; K33-Y35 VanDerWaalsContact C-N 3.33Å; K33-Y35 PolarHBondContact O-N 3.32Å; K33-G36 PolarHBondContact O-N 3.05Å
34T98Very high96.3Very high92 Ų9290.8 Ų90.856%0.56444%0.439SS*.Hα-helixtrans-59-42.6179-62.90000112.3L30 W31L30-T34 PolarHBondContact O-N 2.78Å; L30-T34 PolarHBondContact O-OG1 2.94Å; W31-T34 PolarHBondContact O-N 3.16Å
35Y97.4Very high96.2Very high66 Ų6693 Ų9326%0.25945%0.449SS..THydrogen-bonded Turntrans-99.810.2-177.9-62.9-64.4000114.1W31 K32 K33 K37 M77 H79 N303W31-Y35 AromaticContact CD1-CD2 3.66Å; W31-Y35 AromaticContact CD1-CE2 3.47Å; W31-Y35 VanDerWaalsContact CD1-CE2 3.47Å; W31-Y35 AromaticContact CD2-CD2 3.99Å; W31-Y35 HydrophobicContact CD2-CD2 3.99Å; W31-Y35 AromaticContact CE2-CD2 3.54Å; W31-Y35 AromaticContact CE2-CE2 3.94Å; W31-Y35 HydrophobicContact CG-CD2 4.04Å; W31-Y35 HydrophobicContact CG-CE2 4.26Å; W31-Y35 HydrophobicContact CZ2-CD2 4.05Å; W31-Y35 AromaticContact NE1-CD2 3.34Å; W31-Y35 VanDerWaalsContact NE1-CD2 3.34Å; W31-Y35 AromaticContact NE1-CE2 3.24Å; W31-Y35 WeakPolarHBondContact O-CD2 3.14Å; W31-Y35 PolarHBondContact O-N 3.11Å; W31-Y35 VanDerWaalsContact O-N 3.08Å; K32-Y35 PolarHBondContact O-N 3.4Å; K33-Y35 VanDerWaalsContact C-N 3.33Å; K33-Y35 PolarHBondContact O-N 3.32Å; Y35-K37 PolarHBondContact O-N 2.65Å; Y35-M77 PolarHBondContact OH-O 2.88Å; Y35-H79 HydrophobicContact CD1-CB 3.5Å; Y35-H79 HydrophobicContact CE1-CB 3.98Å; Y35-H79 HydrophobicContact CG-CB 3.87Å; Y35-N303 HydrophobicContact CE1-CB 4.27Å
36G97.2Very high96Very high54 Ų5493 Ų9356%0.55746%0.457SS*.THydrogen-bonded Turntrans60.130.2178.500000114.3K32 K33K32-G36 CarbonylContact O-C 3.46Å; K32-G36 WeakPolarHBondContact O-CA 3.37Å; K32-G36 PolarHBondContact O-N 2.79Å; K33-G36 PolarHBondContact O-N 3.05Å
37K97.1Very high95.9Very high50 Ų5090.5 Ų90.522%0.21745%0.451CS..  trans-72.4128.8-174.7-65.7-80.2-178.4160.80111.3W31 K32 Y35 Y39 H79 D82W31-K37 HydrophobicContact CE3-CG 4.36Å; W31-K37 HydrophobicContact CH2-CD 3.94Å; W31-K37 VanDerWaalsContact CH2-CE 3.49Å; W31-K37 HydrophobicContact CH2-CG 3.8Å; W31-K37 HydrophobicContact CZ3-CB 4.31Å; W31-K37 HydrophobicContact CZ3-CD 4.14Å; W31-K37 HydrophobicContact CZ3-CG 3.6Å; K32-K37 HydrophobicContact CB-CB 4.08Å; K32-K37 HydrophobicContact CG-CB 4.09Å; K32-K37 PolarHBondContact O-N 3.46Å; Y35-K37 PolarHBondContact O-N 2.65Å; K37-Y39 HydrophobicContact CB-CE2 4.28Å; K37-H79 WeakPolarHBondContact CE-O 3.26Å; K37-H79 PolarHBondContact NZ-O 3.02Å; K37-D82 IonicContact NZ-OD1 2.62Å; K37-D82 PolarHBondContact NZ-OD1 2.86Å; K37-D82 IonicContact NZ-OD2 2.83Å; K37-D82 PolarHBondContact NZ-OD2 3.2Å
38Q95.3Very high95.8Very high154 Ų15487.5 Ų87.572%0.7244%0.435SS*.  trans-132.7135.2177.1-62.8-176.69.800108.9
39Y96Very high95.8Very high37 Ų3787.5 Ų87.515%0.14544%0.435CS..  trans-123.7120.4-179.5-50.7-61.2000107.5W28 K32 K37 E44 E45 R48 D82W28-Y39 AromaticContact CH2-CE2 3.82Å; W28-Y39 HydrophobicContact CH2-CE2 3.82Å; W28-Y39 AromaticContact CH2-CZ 3.9Å; W28-Y39 VanDerWaalsContact CH2-OH 3.28Å; W28-Y39 WeakPolarHBondContact CH2-OH 3.48Å; W28-Y39 HydrophobicContact CZ2-CD2 4.44Å; W28-Y39 AromaticContact CZ2-CE2 3.53Å; W28-Y39 HydrophobicContact CZ2-CE2 3.53Å; K32-Y39 HydrophobicContact CD-CD2 4.19Å; K32-Y39 HydrophobicContact CD-CE2 3.56Å; K32-Y39 HydrophobicContact CG-CE2 4.15Å; K37-Y39 HydrophobicContact CB-CE2 4.28Å; Y39-E44 VanDerWaalsContact CA-OE2 3.29Å; Y39-E44 WeakPolarHBondContact CA-OE2 3.45Å; Y39-E44 HydrophobicContact CD1-CG 4.02Å; Y39-E44 HydrophobicContact CG-CG 4.32Å; Y39-E45 HydrophobicContact CD2-CB 3.75Å; Y39-E45 HydrophobicContact CD2-CG 3.89Å; Y39-E45 HydrophobicContact CE2-CG 4.41Å; Y39-E45 HydrophobicContact CG-CB 4.2Å; Y39-R48 HydrophobicContact CD1-CB 4.42Å; Y39-R48 HydrophobicContact CD1-CG 3.84Å; Y39-R48 HydrophobicContact CE1-CB 3.9Å; Y39-R48 HydrophobicContact CE1-CG 3.53Å; Y39-R48 HydrophobicContact CE2-CB 4.27Å; Y39-D82 WeakPolarHBondContact CE1-OD2 3.45Å; Y39-D82 PolarHBondContact OH-OD2 3.29Å
40K92.3Very high95.8Very high186 Ų18684.5 Ų84.581%0.80942%0.423SS*.  trans-106.2-25.6-172.7-67-179-178.2176.10111.6E44K40-E44 PolarHBondContact N-OE2 3Å
41E92.6Very high95.7Very high151 Ų15181.4 Ų81.471%0.70641%0.406SS*.SBendtrans-80.5147.2-177.1-64.2-174.5-176.600111.3N43 E44E41-N43 PolarHBondContact O-N 3.07Å; E41-E44 HydrophobicContact CB-CB 3.95Å; E41-E44 PolarHBondContact N-OE2 3.25Å; E41-E44 VanDerWaalsContact N-OE2 3.16Å; E41-E44 WeakPolarHBondContact O-CB 3.24Å; E41-E44 PolarHBondContact O-N 2.83Å
42K87.8Confident95.7Very high188 Ų18880.9 Ų80.982%0.81741%0.405SS*.THydrogen-bonded Turntrans-61.1130.1178.4-172.3-179.9179.7-178.60109.2E44K42-E44 PolarHBondContact O-N 3Å
43N90.6Very high95.7Very high117 Ų11780.6 Ų80.663%0.62640%0.404SS*.THydrogen-bonded Turntrans69.4-3.4-178-49.8-33.7000116.2E41 E45 A46 V47E41-N43 PolarHBondContact O-N 3.07Å; N43-E45 PolarHBondContact O-N 3.44Å; N43-A46 PolarHBondContact O-N 3.34Å; N43-V47 PolarHBondContact O-N 2.95Å
44E94.2Very high95.7Very high49 Ų4980.4 Ų80.423%0.22940%0.403CS..Hα-helixtrans-58.7-46.6179.8-178.1-172.9-175.900111.7Y39 K40 E41 K42 A46 V47 R48Y39-E44 VanDerWaalsContact CA-OE2 3.29Å; Y39-E44 WeakPolarHBondContact CA-OE2 3.45Å; Y39-E44 HydrophobicContact CD1-CG 4.02Å; Y39-E44 HydrophobicContact CG-CG 4.32Å; K40-E44 PolarHBondContact N-OE2 3Å; E41-E44 HydrophobicContact CB-CB 3.95Å; E41-E44 PolarHBondContact N-OE2 3.25Å; E41-E44 VanDerWaalsContact N-OE2 3.16Å; E41-E44 WeakPolarHBondContact O-CB 3.24Å; E41-E44 PolarHBondContact O-N 2.83Å; K42-E44 PolarHBondContact O-N 3Å; E44-A46 VanDerWaalsContact C-N 3.26Å; E44-A46 PolarHBondContact O-N 2.98Å; E44-V47 PolarHBondContact O-N 3.29Å; E44-V47 VanDerWaalsContact O-N 3.15Å; E44-R48 HydrophobicContact CG-CG 4.06Å; E44-R48 WeakPolarHBondContact O-CB 3.5Å; E44-R48 VanDerWaalsContact O-CG 3.23Å; E44-R48 WeakPolarHBondContact O-CG 3.36Å; E44-R48 PolarHBondContact O-N 3.41Å
45E95.9Very high95.7Very high82 Ų8276.6 Ų76.638%0.38338%0.379SS..Hα-helixtrans-58.8-38.7179.8176.9163.5174.800112.4W28 K32 Y39 N43 R48 R49W28-E45 HydrophobicContact CZ2-CG 4.19Å; W28-E45 PolarHBondContact NE1-OE1 2.86Å; K32-E45 IonicContact NZ-OE1 3.66Å; K32-E45 PolarHBondContact NZ-OE1 2.92Å; K32-E45 IonicContact NZ-OE2 2.91Å; K32-E45 PolarHBondContact NZ-OE2 3.1Å; K32-E45 VanDerWaalsContact NZ-OE2 3.14Å; Y39-E45 HydrophobicContact CD2-CB 3.75Å; Y39-E45 HydrophobicContact CD2-CG 3.89Å; Y39-E45 HydrophobicContact CE2-CG 4.41Å; Y39-E45 HydrophobicContact CG-CB 4.2Å; N43-E45 PolarHBondContact O-N 3.44Å; E45-R48 PolarHBondContact O-N 3.37Å; E45-R49 VanDerWaalsContact O-CB 3.26Å; E45-R49 WeakPolarHBondContact O-CB 3.29Å; E45-R49 PolarHBondContact O-N 2.79Å
46A94.4Very high95.8Very high61 Ų6175.9 Ų75.950%0.50438%0.379SS..Hα-helixtrans-66.1-42.2179.800000111.1N43 E44 L50N43-A46 PolarHBondContact O-N 3.34Å; E44-A46 VanDerWaalsContact C-N 3.26Å; E44-A46 PolarHBondContact O-N 2.98Å; A46-L50 WeakPolarHBondContact O-CG 3.17Å; A46-L50 PolarHBondContact O-N 3.43Å
47V95.8Very high95.8Very high82 Ų8279.7 Ų79.750%0.49738%0.381SS..Hα-helixtrans-64.7-48.6175.91760000110.7N43 E44 R49 L50 I51N43-V47 PolarHBondContact O-N 2.95Å; E44-V47 PolarHBondContact O-N 3.29Å; E44-V47 VanDerWaalsContact O-N 3.15Å; V47-R49 VanDerWaalsContact C-N 3.29Å; V47-R49 PolarHBondContact O-N 3.36Å; V47-L50 PolarHBondContact O-N 3.12Å; V47-L50 VanDerWaalsContact O-N 3.12Å; V47-I51 HydrophobicContact CG1-CD1 4.04Å; V47-I51 WeakPolarHBondContact O-CG1 3.1Å; V47-I51 PolarHBondContact O-N 3.36Å; V47-I51 VanDerWaalsContact O-N 3.08Å
48R97.6Very high95.9Very high46 Ų4681 Ų8117%0.17439%0.386CS..Hα-helixtrans-59.2-40179.1-68.4-75.8175.1-144.9-7.1111.9W28 Y39 E44 E45 I51 W52 D82 E87W28-R48 HydrophobicContact CH2-CB 4.05Å; W28-R48 HydrophobicContact CZ2-CB 4.4Å; Y39-R48 HydrophobicContact CD1-CB 4.42Å; Y39-R48 HydrophobicContact CD1-CG 3.84Å; Y39-R48 HydrophobicContact CE1-CB 3.9Å; Y39-R48 HydrophobicContact CE1-CG 3.53Å; Y39-R48 HydrophobicContact CE2-CB 4.27Å; E44-R48 HydrophobicContact CG-CG 4.06Å; E44-R48 WeakPolarHBondContact O-CB 3.5Å; E44-R48 VanDerWaalsContact O-CG 3.23Å; E44-R48 WeakPolarHBondContact O-CG 3.36Å; E44-R48 PolarHBondContact O-N 3.41Å; E45-R48 PolarHBondContact O-N 3.37Å; R48-I51 PolarHBondContact O-N 3.08Å; R48-W52 WeakPolarHBondContact O-CB 3.42Å; R48-W52 PolarHBondContact O-N 2.92Å; R48-D82 HydrophobicContact CB-CB 4.24Å; R48-D82 WeakPolarHBondContact CD-O 3.25Å; R48-D82 PolarHBondContact NH1-O 2.83Å; R48-E87 IonicContact CZ-OE1 2.95Å; R48-E87 VanDerWaalsContact CZ-OE1 3.29Å; R48-E87 IonicContact CZ-OE2 2.6Å; R48-E87 VanDerWaalsContact NH1-CD 3.25Å; R48-E87 IonicContact NH1-OE1 3.73Å; R48-E87 PolarHBondContact NH1-OE1 3.08Å; R48-E87 IonicContact NH1-OE2 3.71Å; R48-E87 PolarHBondContact NH1-OE2 3.29Å; R48-E87 IonicContact NH2-OE1 3.37Å; R48-E87 PolarHBondContact NH2-OE1 3.42Å
49R97.7Very high96.1Very high7 Ų774.1 Ų74.13%0.02636%0.355CS..Hα-helixtrans-60.9-45.3174.6175.557177.3-80.9-13.3112.3K20 D21 L24 D25 W28 E45 V47 I51 W52 E53K20-R49 HydrophobicContact CB-CG 4.28Å; D21-R49 PolarHBondContact O-NH2 2.87Å; L24-R49 VanDerWaalsContact C-NH2 3.31Å; D25-R49 IonicContact OD1-CZ 3.28Å; D25-R49 VanDerWaalsContact OD1-CZ 3.28Å; D25-R49 IonicContact OD1-NH1 2.78Å; D25-R49 PolarHBondContact OD1-NH1 3.43Å; D25-R49 IonicContact OD1-NH2 2.92Å; D25-R49 PolarHBondContact OD1-NH2 2.83Å; W28-R49 HydrophobicContact CD2-CB 4.44Å; W28-R49 VanDerWaalsContact CG-NH1 3.29Å; W28-R49 HydrophobicContact CH2-CB 4.48Å; W28-R49 HydrophobicContact CZ2-CB 4Å; E45-R49 VanDerWaalsContact O-CB 3.26Å; E45-R49 WeakPolarHBondContact O-CB 3.29Å; E45-R49 PolarHBondContact O-N 2.79Å; V47-R49 VanDerWaalsContact C-N 3.29Å; V47-R49 PolarHBondContact O-N 3.36Å; R49-I51 PolarHBondContact O-N 2.66Å; R49-W52 PolarHBondContact O-N 2.9Å; R49-E53 IonicContact CZ-OE1 3.15Å; R49-E53 IonicContact NE-OE1 2.7Å; R49-E53 PolarHBondContact NE-OE1 3.39Å; R49-E53 IonicContact NH2-OE1 2.83Å; R49-E53 PolarHBondContact NH2-OE1 2.57Å; R49-E53 WeakPolarHBondContact O-CG 3.41Å; R49-E53 PolarHBondContact O-N 3.14Å
50L97.3Very high96.2Very high51 Ų5178.3 Ų78.327%0.26738%0.377SS..Hα-helixtrans-66-38.1179.9-68.2175.9000112.1L18 K20 A46 V47 E53 K54L18-L50 HydrophobicContact CD2-CB 4.49Å; L18-L50 HydrophobicContact CD2-CD2 4.33Å; L18-L50 HydrophobicContact CG-CD2 4.48Å; K20-L50 HydrophobicContact CB-CD2 4.24Å; A46-L50 WeakPolarHBondContact O-CG 3.17Å; A46-L50 PolarHBondContact O-N 3.43Å; V47-L50 PolarHBondContact O-N 3.12Å; V47-L50 VanDerWaalsContact O-N 3.12Å; L50-E53 PolarHBondContact O-N 3Å; L50-K54 WeakPolarHBondContact O-CB 3.3Å; L50-K54 PolarHBondContact O-N 3.2Å
51I97.8Very high96.5Very high25 Ų2573.4 Ų73.413%0.12836%0.36CS..Hα-helixtrans-62.8-45.6173.1-63.7166.9000110V47 R48 R49 E53 K54 N55 D82 M83 T84V47-I51 HydrophobicContact CG1-CD1 4.04Å; V47-I51 WeakPolarHBondContact O-CG1 3.1Å; V47-I51 PolarHBondContact O-N 3.36Å; V47-I51 VanDerWaalsContact O-N 3.08Å; R48-I51 PolarHBondContact O-N 3.08Å; R49-I51 PolarHBondContact O-N 2.66Å; I51-E53 PolarHBondContact O-N 3.46Å; I51-K54 WeakPolarHBondContact O-CB 3.4Å; I51-K54 PolarHBondContact O-N 3.03Å; I51-N55 PolarHBondContact O-N 3.37Å; I51-D82 VanDerWaalsContact CG2-C 3.46Å; I51-M83 WeakPolarHBondContact CG2-O 3.21Å; I51-T84 HydrophobicContact CD1-CG2 3.88Å; I51-T84 HydrophobicContact CG1-CG2 4.22Å; I51-T84 HydrophobicContact CG2-CG2 4.31Å
52W98.6Very high96.8Very high8 Ų866.8 Ų66.83%0.0333%0.329CS..Hα-helixtrans-59.9-43.7177.7178.795.2000113L24 H27 W28 W31 R48 R49 N55 L56 M77 G81 D82L24-W52 HydrophobicContact CB-CZ3 4.09Å; L24-W52 HydrophobicContact CD1-CZ3 4.09Å; H27-W52 HydrophobicContact CB-CH2 4.02Å; W28-W52 HydrophobicContact CB-CZ3 4.47Å; W28-W52 HydrophobicContact CE3-CB 4Å; W28-W52 AromaticContact CE3-CD1 3.99Å; W28-W52 AromaticContact CE3-CD2 3.7Å; W28-W52 HydrophobicContact CE3-CD2 3.7Å; W28-W52 HydrophobicContact CE3-CE3 4.09Å; W28-W52 AromaticContact CE3-CG 3.64Å; W28-W52 HydrophobicContact CE3-CG 3.64Å; W28-W52 HydrophobicContact CH2-CB 4.35Å; W28-W52 HydrophobicContact CZ3-CB 3.5Å; W28-W52 AromaticContact CZ3-CD1 3.74Å; W28-W52 HydrophobicContact CZ3-CD2 4.09Å; W28-W52 AromaticContact CZ3-CG 3.49Å; W28-W52 HydrophobicContact CZ3-CG 3.49Å; W28-W52 VanDerWaalsContact CZ3-CG 3.49Å; W31-W52 HydrophobicContact CB-CZ2 4.31Å; W31-W52 AromaticContact CD1-NE1 3.41Å; W31-W52 AromaticContact CD2-CD1 3.53Å; W31-W52 AromaticContact CD2-NE1 3.3Å; W31-W52 VanDerWaalsContact CD2-NE1 3.3Å; W31-W52 AromaticContact CE2-CD1 3.6Å; W31-W52 AromaticContact CE2-NE1 3.57Å; W31-W52 AromaticContact CE3-CD1 3.77Å; W31-W52 AromaticContact CE3-NE1 3.89Å; W31-W52 HydrophobicContact CG-CZ2 4.5Å; W31-W52 AromaticContact CG-NE1 3.25Å; W31-W52 AromaticContact CZ2-CD1 3.98Å; W31-W52 AromaticContact NE1-CD1 4Å; W31-W52 AromaticContact NE1-NE1 3.58Å; R48-W52 WeakPolarHBondContact O-CB 3.42Å; R48-W52 PolarHBondContact O-N 2.92Å; R49-W52 PolarHBondContact O-N 2.9Å; W52-N55 PolarHBondContact O-N 2.9Å; W52-L56 HydrophobicContact CH2-CD2 3.61Å; W52-L56 HydrophobicContact CZ2-CD2 4.2Å; W52-L56 HydrophobicContact CZ3-CD2 3.84Å; W52-L56 WeakPolarHBondContact O-CB 3.47Å; W52-L56 PolarHBondContact O-N 3.39Å; W52-M77 HydrophobicContact CD2-CE 4.19Å; W52-M77 HydrophobicContact CG-CE 3.77Å; W52-M77 WeakPolarHBondContact O-CE 3.11Å; W52-G81 VanDerWaalsContact CA-O 3.28Å; W52-G81 WeakPolarHBondContact CA-O 3.38Å; W52-D82 HydrophobicContact CB-CB 4.4Å
53E98.3Very high97.3Very high27 Ų2759.5 Ų59.513%0.12630%0.299CS..Hα-helixtrans-65.7-38.9176.5-70.9-174.2-174.500112D21 L24 R49 L50 I51 L56 K57D21-E53 PolarHBondContact N-OE1 2.97Å; D21-E53 VanDerWaalsContact N-OE1 3.1Å; D21-E53 PolarHBondContact N-OE2 3.14Å; L24-E53 HydrophobicContact CD1-CG 3.91Å; R49-E53 IonicContact CZ-OE1 3.15Å; R49-E53 IonicContact NE-OE1 2.7Å; R49-E53 PolarHBondContact NE-OE1 3.39Å; R49-E53 IonicContact NH2-OE1 2.83Å; R49-E53 PolarHBondContact NH2-OE1 2.57Å; R49-E53 WeakPolarHBondContact O-CG 3.41Å; R49-E53 PolarHBondContact O-N 3.14Å; L50-E53 PolarHBondContact O-N 3Å; I51-E53 PolarHBondContact O-N 3.46Å; E53-L56 PolarHBondContact O-N 2.99Å; E53-K57 PolarHBondContact O-N 3.49Å
54K98Very high97.7Very high156 Ų15658.7 Ų58.768%0.67829%0.294SS*.Hα-helixtrans-61-47174.5-177.9-176.3176-173.60111.2L50 I51 K57 F58L50-K54 WeakPolarHBondContact O-CB 3.3Å; L50-K54 PolarHBondContact O-N 3.2Å; I51-K54 WeakPolarHBondContact O-CB 3.4Å; I51-K54 PolarHBondContact O-N 3.03Å; K54-K57 PolarHBondContact O-N 3Å; K54-F58 PolarHBondContact O-N 3.13Å
55N98.5Very high97.9Very high12 Ų1259.8 Ų59.86%0.06430%0.299CS..Hα-helixtrans-66.9-38.8177.6-76.1-21000111.6I51 W52 K57 F58 V59 M77 G81 M83 L261I51-N55 PolarHBondContact O-N 3.37Å; W52-N55 PolarHBondContact O-N 2.9Å; N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 3.35Å; N55-F58 WeakPolarHBondContact O-CB 3.47Å; N55-F58 PolarHBondContact O-N 3.34Å; N55-V59 VanDerWaalsContact O-CG2 3.31Å; N55-V59 WeakPolarHBondContact O-CG2 3.39Å; N55-V59 PolarHBondContact O-N 2.95Å; N55-M77 HydrophobicContact CB-CE 3.92Å; N55-M77 HydrophobicContact CB-SD 4.01Å; N55-G81 WeakPolarHBondContact CB-O 3.29Å; N55-G81 PolarHBondContact ND2-O 3.48Å; N55-M83 PolarHBondContact ND2-O 2.89Å; N55-L261 HydrophobicContact CB-CD1 4.03Å
56L98.6Very high98Very high50 Ų5059.1 Ų59.126%0.26230%0.296SS..Hα-helixtrans-60.3-44.1175178.966.5000111.4L24 W52 E53 F58 V59 M60 M77L24-L56 HydrophobicContact CD1-CD2 3.94Å; L24-L56 HydrophobicContact CD2-CD2 4.12Å; W52-L56 HydrophobicContact CH2-CD2 3.61Å; W52-L56 HydrophobicContact CZ2-CD2 4.2Å; W52-L56 HydrophobicContact CZ3-CD2 3.84Å; W52-L56 WeakPolarHBondContact O-CB 3.47Å; W52-L56 PolarHBondContact O-N 3.39Å; E53-L56 PolarHBondContact O-N 2.99Å; L56-F58 VanDerWaalsContact C-N 3.34Å; L56-F58 PolarHBondContact O-N 2.76Å; L56-V59 PolarHBondContact O-N 3.17Å; L56-M60 WeakPolarHBondContact O-CB 3.27Å; L56-M60 PolarHBondContact O-N 2.7Å; L56-M77 HydrophobicContact CB-CE 4.26Å; L56-M77 HydrophobicContact CB-CG 4.38Å; L56-M77 HydrophobicContact CB-SD 4.18Å; L56-M77 HydrophobicContact CD1-CG 3.71Å; L56-M77 PolarHBondContact N-SD 2.84Å
57K98.4Very high98.2Very high134 Ų13460.4 Ų60.458%0.58330%0.301SS*.Hα-helixtrans-62.4-41.8175.6-175.4174.9179.4176.50111.7E53 K54 N55 M60 L61E53-K57 PolarHBondContact O-N 3.49Å; K54-K57 PolarHBondContact O-N 3Å; N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 3.35Å; K57-M60 PolarHBondContact O-N 2.58Å; K57-L61 HydrophobicContact CG-CD1 4.15Å; K57-L61 WeakPolarHBondContact O-CG 3.03Å; K57-L61 PolarHBondContact O-N 3.31Å
58F98.6Very high98.4Very high77 Ų7762.1 Ų62.134%0.33831%0.305SS..Hα-helixtrans-60-48.5175.1-179.8-98.9000111.6K54 N55 L56 M60 L61 H62 L75 P257 L261K54-F58 PolarHBondContact O-N 3.13Å; N55-F58 WeakPolarHBondContact O-CB 3.47Å; N55-F58 PolarHBondContact O-N 3.34Å; L56-F58 VanDerWaalsContact C-N 3.34Å; L56-F58 PolarHBondContact O-N 2.76Å; F58-M60 VanDerWaalsContact C-N 3.35Å; F58-M60 PolarHBondContact O-N 3.27Å; F58-L61 PolarHBondContact O-N 3.26Å; F58-H62 WeakPolarHBondContact O-CB 3.48Å; F58-H62 PolarHBondContact O-N 3.36Å; F58-L75 HydrophobicContact CD1-CD1 3.74Å; F58-L75 HydrophobicContact CE1-CD1 3.36Å; F58-L75 HydrophobicContact CZ-CD1 4.34Å; F58-P257 HydrophobicContact CD1-CB 4.08Å; F58-P257 HydrophobicContact CE1-CB 3.7Å; F58-P257 HydrophobicContact CZ-CB 4.02Å; F58-L261 HydrophobicContact CD1-CD1 4.18Å
59V98.8Very high98.4Very high10 Ų1063.1 Ų63.16%0.06133%0.329CS..Hα-helixtrans-58.2-45.9176.2169.70000111.4N55 L56 N63 L75 M77 L261N55-V59 VanDerWaalsContact O-CG2 3.31Å; N55-V59 WeakPolarHBondContact O-CG2 3.39Å; N55-V59 PolarHBondContact O-N 2.95Å; L56-V59 PolarHBondContact O-N 3.17Å; V59-N63 VanDerWaalsContact O-CB 3.28Å; V59-N63 WeakPolarHBondContact O-CB 3.44Å; V59-N63 PolarHBondContact O-N 3.13Å; V59-L75 HydrophobicContact CB-CB 4.31Å; V59-L75 HydrophobicContact CG1-CB 4.06Å; V59-L75 HydrophobicContact CG2-CB 3.9Å; V59-L75 HydrophobicContact CG2-CD1 4.49Å; V59-M77 HydrophobicContact CB-SD 4.49Å; V59-M77 HydrophobicContact CG2-CG 4.39Å; V59-M77 HydrophobicContact CG2-SD 3.82Å; V59-L261 HydrophobicContact CG2-CB 4.3Å; V59-L261 HydrophobicContact CG2-CD1 3.84Å
60M98.6Very high98.4Very high125 Ų12568.4 Ų68.462%0.61636%0.356SS*.Hα-helixtrans-63-45.3-178.3-174178.86900112.1L56 K57 F58 N63 L64L56-M60 WeakPolarHBondContact O-CB 3.27Å; L56-M60 PolarHBondContact O-N 2.7Å; K57-M60 PolarHBondContact O-N 2.58Å; F58-M60 VanDerWaalsContact C-N 3.35Å; F58-M60 PolarHBondContact O-N 3.27Å; M60-N63 PolarHBondContact O-N 2.86Å; M60-L64 PolarHBondContact O-N 2.9Å
61L98.8Very high98.4Very high84 Ų8468.1 Ų68.144%0.4435%0.353SS..Hα-helixtrans-67.3-46.1178.9-69.1173.2000111.8K57 F58 N63 L64 E65K57-L61 HydrophobicContact CG-CD1 4.15Å; K57-L61 WeakPolarHBondContact O-CG 3.03Å; K57-L61 PolarHBondContact O-N 3.31Å; F58-L61 PolarHBondContact O-N 3.26Å; L61-N63 VanDerWaalsContact C-N 3.31Å; L61-N63 PolarHBondContact O-N 3.02Å; L61-L64 WeakPolarHBondContact O-CB 3.14Å; L61-L64 PolarHBondContact O-N 3.32Å; L61-E65 PolarHBondContact O-N 3.48Å
62H98.8Very high98.5Very high11 Ų1168.9 Ų68.95%0.05136%0.361CS..Hα-helixtrans-59.4-42.4176.3178.2-78.9000111.9F58 L64 E65 H66 H71 Y73 L75F58-H62 WeakPolarHBondContact O-CB 3.48Å; F58-H62 PolarHBondContact O-N 3.36Å; H62-L64 VanDerWaalsContact C-N 3.31Å; H62-L64 PolarHBondContact O-N 3.31Å; H62-E65 WeakPolarHBondContact O-CB 3.2Å; H62-E65 PolarHBondContact O-N 3.03Å; H62-H66 PolarHBondContact O-N 3.34Å; H62-H71 AromaticContact CD2-CD2 3.73Å; H62-H71 AromaticContact CD2-NE2 3.81Å; H62-H71 AromaticContact CE1-CD2 3.91Å; H62-H71 AromaticContact CE1-CG 3.97Å; H62-H71 AromaticContact NE2-CD2 3.57Å; H62-H71 AromaticContact NE2-CG 3.58Å; H62-H71 AromaticContact NE2-NE2 3.97Å; H62-Y73 AromaticContact CE1-CD2 3.94Å; H62-Y73 AromaticContact CE1-CE2 3.68Å; H62-Y73 AromaticContact CE1-CZ 3.8Å; H62-Y73 PolarHBondContact CE1-O 2.79Å; H62-Y73 VanDerWaalsContact CE1-O 3.28Å; H62-Y73 AromaticContact NE2-CE1 3.75Å; H62-Y73 AromaticContact NE2-CE2 3.51Å; H62-Y73 AromaticContact NE2-CZ 3.22Å; H62-Y73 PolarHBondContact NE2-OH 3.12Å; H62-L75 HydrophobicContact CB-CD1 3.71Å; H62-L75 HydrophobicContact CB-CG 4.33Å
63N98.8Very high98.5Very high36 Ų3668.7 Ų68.719%0.19336%0.36CS..Hα-helixtrans-71.2-27.6-179.6-71-5.6000112.6V59 M60 L61 H66 S67 L75V59-N63 VanDerWaalsContact O-CB 3.28Å; V59-N63 WeakPolarHBondContact O-CB 3.44Å; V59-N63 PolarHBondContact O-N 3.13Å; M60-N63 PolarHBondContact O-N 2.86Å; L61-N63 VanDerWaalsContact C-N 3.31Å; L61-N63 PolarHBondContact O-N 3.02Å; N63-H66 PolarHBondContact O-N 2.89Å; N63-S67 PolarHBondContact O-N 3.07Å; N63-L75 PolarHBondContact ND2-O 3Å; N63-L75 PolarHBondContact OD1-N 3.2Å
64L98.8Very high98.5Very high100 Ų10068 Ų6852%0.52436%0.358SS..Hα-helixtrans-63.6-47.2168.1179.363.8000110.5M60 L61 H62 H66 S67 M68M60-L64 PolarHBondContact O-N 2.9Å; L61-L64 WeakPolarHBondContact O-CB 3.14Å; L61-L64 PolarHBondContact O-N 3.32Å; H62-L64 VanDerWaalsContact C-N 3.31Å; H62-L64 PolarHBondContact O-N 3.31Å; L64-H66 VanDerWaalsContact C-N 3.34Å; L64-H66 PolarHBondContact O-N 2.61Å; L64-S67 PolarHBondContact O-N 2.93Å; L64-S67 PolarHBondContact O-OG 3.25Å; L64-M68 HydrophobicContact CG-CE 4.36Å; L64-M68 PolarHBondContact O-N 3.46Å
65E98.7Very high98.6Very high72 Ų7260.6 Ų60.634%0.33633%0.325SS..Hα-helixtrans-60.9-41.3174.9-66.8170.3-171.300112.2L61 H62 S67 M68 G69 M70 H71L61-E65 PolarHBondContact O-N 3.48Å; H62-E65 WeakPolarHBondContact O-CB 3.2Å; H62-E65 PolarHBondContact O-N 3.03Å; E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.44Å; E65-M68 HydrophobicContact CG-CE 4.41Å; E65-M68 CarbonylContact O-C 3.57Å; E65-M68 PolarHBondContact O-N 2.91Å; E65-M68 VanDerWaalsContact O-N 3.12Å; E65-G69 PolarHBondContact O-N 3.19Å; E65-M70 HydrophobicContact CB-CB 4.15Å; E65-M70 HydrophobicContact CB-SD 3.98Å; E65-M70 HydrophobicContact CG-SD 4.04Å; E65-M70 WeakPolarHBondContact O-CB 3.41Å; E65-M70 PolarHBondContact O-N 3.35Å; E65-H71 IonicContact OE2-CD2 3.19Å; E65-H71 IonicContact OE2-CE1 3.15Å; E65-H71 IonicContact OE2-NE2 3.46Å; E65-H71 PolarHBondContact OE2-NE2 3.37Å
66H98.4Very high98.6Very high67 Ų6760.6 Ų60.631%0.3133%0.328SS..Hα-helixtrans-58.6-43.6173.117461000112H62 N63 L64 M68 G69 H71 Y73H62-H66 PolarHBondContact O-N 3.34Å; N63-H66 PolarHBondContact O-N 2.89Å; L64-H66 VanDerWaalsContact C-N 3.34Å; L64-H66 PolarHBondContact O-N 2.61Å; H66-M68 PolarHBondContact O-N 3.13Å; H66-G69 WeakPolarHBondContact O-CA 3.15Å; H66-G69 PolarHBondContact O-N 3.06Å; H66-H71 HydrophobicContact CB-CB 4.25Å; H66-H71 PolarHBondContact ND1-O 3.15Å; H66-Y73 PolarHBondContact ND1-O 3.27Å
67S98.4Very high98.6Very high89 Ų8959.6 Ų59.662%0.62232%0.322SS*.Hα-helixtrans-62.9-22.2177.978.30000113.5N63 L64 E65 G69N63-S67 PolarHBondContact O-N 3.07Å; L64-S67 PolarHBondContact O-N 2.93Å; L64-S67 PolarHBondContact O-OG 3.25Å; E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.44Å; S67-G69 VanDerWaalsContact C-N 3.34Å
68M98.3Very high98.6Very high118 Ų11853.6 Ų53.658%0.58130%0.296SS*.THydrogen-bonded Turntrans-91.77.8173.7-60.7-175-65.500113L64 E65 H66 M70L64-M68 HydrophobicContact CG-CE 4.36Å; L64-M68 PolarHBondContact O-N 3.46Å; E65-M68 HydrophobicContact CG-CE 4.41Å; E65-M68 CarbonylContact O-C 3.57Å; E65-M68 PolarHBondContact O-N 2.91Å; E65-M68 VanDerWaalsContact O-N 3.12Å; H66-M68 PolarHBondContact O-N 3.13Å; M68-M70 VanDerWaalsContact C-N 3.33Å; M68-M70 HydrophobicContact CB-CG 4.39Å; M68-M70 HydrophobicContact CE-SD 3.94Å; M68-M70 PolarHBondContact O-N 2.86Å
69G97.6Very high98.5Very high66 Ų6650.6 Ų50.668%0.6828%0.284SS*.THydrogen-bonded Turntrans76.614178.300000114.9E65 H66 S67E65-G69 PolarHBondContact O-N 3.19Å; H66-G69 WeakPolarHBondContact O-CA 3.15Å; H66-G69 PolarHBondContact O-N 3.06Å; S67-G69 VanDerWaalsContact C-N 3.34Å
70M98.3Very high98.5Very high119 Ų11950.2 Ų50.259%0.58628%0.281SS*.SBendtrans-76.6-26.9-179.1-60.8178.564.100112.7E65 M68E65-M70 HydrophobicContact CB-CB 4.15Å; E65-M70 HydrophobicContact CB-SD 3.98Å; E65-M70 HydrophobicContact CG-SD 4.04Å; E65-M70 WeakPolarHBondContact O-CB 3.41Å; E65-M70 PolarHBondContact O-N 3.35Å; M68-M70 VanDerWaalsContact C-N 3.33Å; M68-M70 HydrophobicContact CB-CG 4.39Å; M68-M70 HydrophobicContact CE-SD 3.94Å; M68-M70 PolarHBondContact O-N 2.86Å
71H98.4Very high98.4Very high44 Ų4444.2 Ų44.220%0.20425%0.252CS..  trans-123.7145.4-179.8-58.4-59.8000111.4H62 E65 H66 Y73H62-H71 AromaticContact CD2-CD2 3.73Å; H62-H71 AromaticContact CD2-NE2 3.81Å; H62-H71 AromaticContact CE1-CD2 3.91Å; H62-H71 AromaticContact CE1-CG 3.97Å; H62-H71 AromaticContact NE2-CD2 3.57Å; H62-H71 AromaticContact NE2-CG 3.58Å; H62-H71 AromaticContact NE2-NE2 3.97Å; E65-H71 IonicContact OE2-CD2 3.19Å; E65-H71 IonicContact OE2-CE1 3.15Å; E65-H71 IonicContact OE2-NE2 3.46Å; E65-H71 PolarHBondContact OE2-NE2 3.37Å; H66-H71 HydrophobicContact CB-CB 4.25Å; H66-H71 PolarHBondContact ND1-O 3.15Å; H71-Y73 VanDerWaalsContact C-N 3.29Å; H71-Y73 HydrophobicContact CB-CD1 4.27Å; H71-Y73 HydrophobicContact CB-CE1 4.28Å
72S98.6Very high98.4Very high42 Ų4240.4 Ų40.429%0.29423%0.232SC..SBendtrans-87.36.3175.347.10000114.3V266S72-V266 WeakPolarHBondContact CB-O 3.5Å; S72-V266 PolarHBondContact O-N 2.86Å; S72-V266 PolarHBondContact OG-O 3.36Å
73Y98.8Very high98.2Very high3 Ų340.9 Ų40.91%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-146.9166.4-176.971-74.7000110.4H62 H66 H71 L75 S258 Y262 S264 Y267 Y268H62-Y73 AromaticContact CE1-CD2 3.94Å; H62-Y73 AromaticContact CE1-CE2 3.68Å; H62-Y73 AromaticContact CE1-CZ 3.8Å; H62-Y73 PolarHBondContact CE1-O 2.79Å; H62-Y73 VanDerWaalsContact CE1-O 3.28Å; H62-Y73 AromaticContact NE2-CE1 3.75Å; H62-Y73 AromaticContact NE2-CE2 3.51Å; H62-Y73 AromaticContact NE2-CZ 3.22Å; H62-Y73 PolarHBondContact NE2-OH 3.12Å; H66-Y73 PolarHBondContact ND1-O 3.27Å; H71-Y73 VanDerWaalsContact C-N 3.29Å; H71-Y73 HydrophobicContact CB-CD1 4.27Å; H71-Y73 HydrophobicContact CB-CE1 4.28Å; Y73-L75 HydrophobicContact CD2-CD2 4.07Å; Y73-L75 HydrophobicContact CE2-CD2 3.67Å; Y73-L75 HydrophobicContact CE2-CG 4.5Å; Y73-S258 WeakPolarHBondContact OH-CB 3.48Å; Y73-Y262 AromaticContact CD2-CD2 3.99Å; Y73-Y262 HydrophobicContact CD2-CD2 3.99Å; Y73-S264 CarbonylContact C-O 3.11Å; Y73-S264 WeakPolarHBondContact CA-O 3.14Å; Y73-S264 WeakPolarHBondContact CB-O 3.41Å; Y73-Y267 AromaticContact CD2-CD2 3.92Å; Y73-Y267 HydrophobicContact CD2-CD2 3.92Å; Y73-Y267 HydrophobicContact CE1-CD2 4.39Å; Y73-Y267 AromaticContact CE2-CD2 3.57Å; Y73-Y267 HydrophobicContact CE2-CD2 3.57Å; Y73-Y267 AromaticContact CE2-CE2 3.93Å; Y73-Y267 HydrophobicContact CE2-CE2 3.93Å; Y73-Y267 HydrophobicContact CG-CD2 4.43Å; Y73-Y267 AromaticContact CZ-CD2 3.86Å; Y73-Y268 VanDerWaalsContact CE1-O 3.31Å; Y73-Y268 WeakPolarHBondContact CE1-O 3.45Å
74D98.8Very high98Very high14 Ų1441.2 Ų41.28%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-127.1165.9176.166.54.5000112R263 S264D74-R263 VanDerWaalsContact CG-NE 3.34Å; D74-R263 PolarHBondContact O-N 3.34Å; D74-R263 WeakPolarHBondContact OD1-CB 3.25Å; D74-R263 IonicContact OD1-NE 3.65Å; D74-R263 PolarHBondContact OD1-NE 3.26Å; D74-R263 IonicContact OD2-CZ 3.79Å; D74-R263 IonicContact OD2-NE 3.26Å; D74-R263 PolarHBondContact OD2-NE 2.04Å; D74-R263 IonicContact OD2-NH2 3.52Å; D74-R263 PolarHBondContact OD2-NH2 3.41Å; D74-S264 VanDerWaalsContact CG-OG 3.31Å; D74-S264 PolarHBondContact N-O 3.49Å; D74-S264 WeakPolarHBondContact OD1-CA 3.28Å; D74-S264 WeakPolarHBondContact OD1-CB 3.48Å; D74-S264 PolarHBondContact OD1-N 2.55Å; D74-S264 VanDerWaalsContact OD1-O 3.12Å; D74-S264 PolarHBondContact OD1-OG 3.11Å; D74-S264 PolarHBondContact OD2-OG 3.31Å
75L98.9Very high97.6Very high0 Ų037.4 Ų37.40%022%0.219CC..EExtended strand (participates in β ladder)trans-114.8160.7-179.3-55.6-178.5000111.6F58 V59 H62 N63 Y73 S258 L261F58-L75 HydrophobicContact CD1-CD1 3.74Å; F58-L75 HydrophobicContact CE1-CD1 3.36Å; F58-L75 HydrophobicContact CZ-CD1 4.34Å; V59-L75 HydrophobicContact CB-CB 4.31Å; V59-L75 HydrophobicContact CG1-CB 4.06Å; V59-L75 HydrophobicContact CG2-CB 3.9Å; V59-L75 HydrophobicContact CG2-CD1 4.49Å; H62-L75 HydrophobicContact CB-CD1 3.71Å; H62-L75 HydrophobicContact CB-CG 4.33Å; N63-L75 PolarHBondContact ND2-O 3Å; N63-L75 PolarHBondContact OD1-N 3.2Å; Y73-L75 HydrophobicContact CD2-CD2 4.07Å; Y73-L75 HydrophobicContact CE2-CD2 3.67Å; Y73-L75 HydrophobicContact CE2-CG 4.5Å; L75-S258 WeakPolarHBondContact CD2-O 3.29Å; L75-L261 CarbonylContact C-O 3.31Å; L75-L261 VanDerWaalsContact CA-O 3.27Å; L75-L261 WeakPolarHBondContact CA-O 3.49Å; L75-L261 HydrophobicContact CB-CB 4.35Å; L75-L261 HydrophobicContact CD2-CB 4.36Å
76G98.6Very high97.1Very high12 Ų1240.4 Ų40.412%0.12423%0.233CC..  trans-148.3148.2176.400000112.4N78 L261G76-N78 VanDerWaalsContact C-N 3.27Å; G76-N78 PolarHBondContact O-N 3.04Å; G76-L261 PolarHBondContact N-O 2.89Å
77M98.6Very high96.8Very high28 Ų2839.7 Ų39.714%0.13823%0.23CC..  trans-74.880173.8-69.9-56.9-7100110.9W31 Y35 W52 N55 L56 V59W31-M77 PolarHBondContact NE1-O 3.39Å; Y35-M77 PolarHBondContact OH-O 2.88Å; W52-M77 HydrophobicContact CD2-CE 4.19Å; W52-M77 HydrophobicContact CG-CE 3.77Å; W52-M77 WeakPolarHBondContact O-CE 3.11Å; N55-M77 HydrophobicContact CB-CE 3.92Å; N55-M77 HydrophobicContact CB-SD 4.01Å; L56-M77 HydrophobicContact CB-CE 4.26Å; L56-M77 HydrophobicContact CB-CG 4.38Å; L56-M77 HydrophobicContact CB-SD 4.18Å; L56-M77 HydrophobicContact CD1-CG 3.71Å; L56-M77 PolarHBondContact N-SD 2.84Å; V59-M77 HydrophobicContact CB-SD 4.49Å; V59-M77 HydrophobicContact CG2-CG 4.39Å; V59-M77 HydrophobicContact CG2-SD 3.82Å
78N98.3Very high96.4Very high8 Ų835.4 Ų35.44%0.04320%0.2CC..  trans-78.9-170.517568.235.4000111.9W31 G76 L80 G81 F260 N303W31-N78 WeakPolarHBondContact CZ2-O 3.48Å; W31-N78 PolarHBondContact NE1-O 2.83Å; G76-N78 VanDerWaalsContact C-N 3.27Å; G76-N78 PolarHBondContact O-N 3.04Å; N78-L80 PolarHBondContact O-N 3.12Å; N78-L80 VanDerWaalsContact O-N 3.15Å; N78-L80 WeakPolarHBondContact OD1-CA 3.41Å; N78-L80 VanDerWaalsContact OD1-CB 3.28Å; N78-L80 WeakPolarHBondContact OD1-CB 3.45Å; N78-L80 PolarHBondContact OD1-N 2.94Å; N78-G81 PolarHBondContact O-N 2.72Å; N78-F260 PolarHBondContact ND2-O 3.02Å; N78-N303 WeakPolarHBondContact CB-O 3.44Å
79H97.8Very high95.8Very high15 Ų1531 Ų317%0.06918%0.178CC..THydrogen-bonded Turntrans-64.6-12.6-17968.1-77.4000114.8Y35 K37 G81 Y132 W300Y35-H79 HydrophobicContact CD1-CB 3.5Å; Y35-H79 HydrophobicContact CE1-CB 3.98Å; Y35-H79 HydrophobicContact CG-CB 3.87Å; K37-H79 WeakPolarHBondContact CE-O 3.26Å; K37-H79 PolarHBondContact NZ-O 3.02Å; H79-G81 VanDerWaalsContact C-N 3.34Å; H79-Y132 AromaticContact NE2-CE2 3.6Å; H79-W300 PolarHBondContact CE1-O 3.05Å; H79-W300 PolarHBondContact NE2-O 2.81Å
80L97.4Very high95.2Very high1 Ų132.2 Ų32.21%0.00518%0.177CC..THydrogen-bonded Turntrans-90.91.2174.4-53.1176000112.2N78 D82 M83 V88 M92 F260 W300N78-L80 PolarHBondContact O-N 3.12Å; N78-L80 VanDerWaalsContact O-N 3.15Å; N78-L80 WeakPolarHBondContact OD1-CA 3.41Å; N78-L80 VanDerWaalsContact OD1-CB 3.28Å; N78-L80 WeakPolarHBondContact OD1-CB 3.45Å; N78-L80 PolarHBondContact OD1-N 2.94Å; L80-D82 PolarHBondContact O-N 2.62Å; L80-D82 VanDerWaalsContact O-N 3.08Å; L80-M83 HydrophobicContact CD2-SD 3.74Å; L80-M83 WeakPolarHBondContact O-CB 3.46Å; L80-M83 PolarHBondContact O-N 3.19Å; L80-V88 HydrophobicContact CD1-CG1 4.42Å; L80-M92 HydrophobicContact CD1-CE 4.39Å; L80-M92 HydrophobicContact CD2-CE 3.94Å; L80-M92 HydrophobicContact CD2-SD 3.61Å; L80-F260 HydrophobicContact CB-CD2 4.09Å; L80-F260 HydrophobicContact CD1-CB 4.02Å; L80-W300 HydrophobicContact CD1-CD2 4.36Å; L80-W300 HydrophobicContact CD1-CE3 3.76Å; L80-W300 HydrophobicContact CD1-CZ3 4.15Å
81G97.8Very high94.4Very high0 Ų029.5 Ų29.50%016%0.164CC..THydrogen-bonded Turntrans-59.1-21.7-174.600000115.3W52 N55 N78 H79W52-G81 VanDerWaalsContact CA-O 3.28Å; W52-G81 WeakPolarHBondContact CA-O 3.38Å; N55-G81 WeakPolarHBondContact CB-O 3.29Å; N55-G81 PolarHBondContact ND2-O 3.48Å; N78-G81 PolarHBondContact O-N 2.72Å; H79-G81 VanDerWaalsContact C-N 3.34Å
82D97.6Very high93.7Very high3 Ų327.6 Ų27.62%0.01616%0.156CC..THydrogen-bonded Turntrans-99.213.5176.168.9-24.4000114.1W28 W31 K37 Y39 R48 I51 W52 L80W28-D82 HydrophobicContact CH2-CB 4.38Å; W28-D82 HydrophobicContact CZ3-CB 4.5Å; W31-D82 HydrophobicContact CH2-CB 3.58Å; W31-D82 VanDerWaalsContact CH2-CG 3.43Å; W31-D82 HydrophobicContact CZ2-CB 4.49Å; W31-D82 HydrophobicContact CZ3-CB 3.98Å; K37-D82 IonicContact NZ-OD1 2.62Å; K37-D82 PolarHBondContact NZ-OD1 2.86Å; K37-D82 IonicContact NZ-OD2 2.83Å; K37-D82 PolarHBondContact NZ-OD2 3.2Å; Y39-D82 WeakPolarHBondContact CE1-OD2 3.45Å; Y39-D82 PolarHBondContact OH-OD2 3.29Å; R48-D82 HydrophobicContact CB-CB 4.24Å; R48-D82 WeakPolarHBondContact CD-O 3.25Å; R48-D82 PolarHBondContact NH1-O 2.83Å; I51-D82 VanDerWaalsContact CG2-C 3.46Å; W52-D82 HydrophobicContact CB-CB 4.4Å; L80-D82 PolarHBondContact O-N 2.62Å; L80-D82 VanDerWaalsContact O-N 3.08Å
83M96.4Very high92.8Very high21 Ų2126.1 Ų26.110%0.10315%0.145CC..SBendtrans-110.5150178.3-61.1178.869.100111.8I51 N55 L80 E87 V88 L91I51-M83 WeakPolarHBondContact CG2-O 3.21Å; N55-M83 PolarHBondContact ND2-O 2.89Å; L80-M83 HydrophobicContact CD2-SD 3.74Å; L80-M83 WeakPolarHBondContact O-CB 3.46Å; L80-M83 PolarHBondContact O-N 3.19Å; M83-E87 VanDerWaalsContact CA-OE2 3.27Å; M83-E87 WeakPolarHBondContact CA-OE2 3.45Å; M83-E87 HydrophobicContact CB-CB 4.34Å; M83-E87 HydrophobicContact CE-CB 3.92Å; M83-V88 HydrophobicContact CB-CG2 3.74Å; M83-V88 HydrophobicContact CE-CG2 4.06Å; M83-V88 HydrophobicContact SD-CG2 4.26Å; M83-L91 HydrophobicContact CE-CD1 3.7Å
84T93.9Very high92.2Very high43 Ų4327 Ų2726%0.26415%0.152SC..  trans-83.1161.7167.983.30000111.2I51 E86 E87 V88I51-T84 HydrophobicContact CD1-CG2 3.88Å; I51-T84 HydrophobicContact CG1-CG2 4.22Å; I51-T84 HydrophobicContact CG2-CG2 4.31Å; T84-E86 WeakPolarHBondContact CB-OE2 3.45Å; T84-E86 PolarHBondContact O-N 2.94Å; T84-E86 PolarHBondContact OG1-N 2.85Å; T84-E86 PolarHBondContact OG1-OE2 3.07Å; T84-E87 PolarHBondContact N-OE2 3.27Å; T84-E87 PolarHBondContact O-N 3.13Å; T84-E87 PolarHBondContact OG1-N 3.31Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 2.96Å
85S89.5Confident91.9Very high20 Ų2027.2 Ų27.214%0.1415%0.153CC..Hα-helixtrans-50.1-45.1171.4-82.10000111.7V88 M89 S255 P257 F260S85-V88 PolarHBondContact O-N 3.27Å; S85-M89 WeakPolarHBondContact O-CB 3.45Å; S85-M89 VanDerWaalsContact O-CG 3.3Å; S85-M89 WeakPolarHBondContact O-CG 2.98Å; S85-M89 PolarHBondContact O-N 3.17Å; S85-S255 WeakPolarHBondContact CB-O 3.19Å; S85-S255 PolarHBondContact OG-O 3Å; S85-P257 WeakPolarHBondContact OG-CD 3.5Å; S85-P257 WeakPolarHBondContact OG-CG 3.34Å; S85-F260 WeakPolarHBondContact OG-CE1 3.35Å
86E89.8Confident91.6Very high136 Ų13632 Ų3264%0.63617%0.171SC*.Hα-helixtrans-65.4-41.1-177.3-57.876.6-167.600111.6T84 M89 S90T84-E86 WeakPolarHBondContact CB-OE2 3.45Å; T84-E86 PolarHBondContact O-N 2.94Å; T84-E86 PolarHBondContact OG1-N 2.85Å; T84-E86 PolarHBondContact OG1-OE2 3.07Å; E86-M89 PolarHBondContact O-N 3.3Å; E86-S90 VanDerWaalsContact O-CB 3.26Å; E86-S90 WeakPolarHBondContact O-CB 3.44Å; E86-S90 PolarHBondContact O-N 3.49Å
87E91.3Very high91.2Very high51 Ų5134 Ų3424%0.23818%0.181CC..Hα-helixtrans-64.2-45.3174.6-69179.8123.800111.3R48 M83 T84 M89 S90 L91R48-E87 IonicContact CZ-OE1 2.95Å; R48-E87 VanDerWaalsContact CZ-OE1 3.29Å; R48-E87 IonicContact CZ-OE2 2.6Å; R48-E87 VanDerWaalsContact NH1-CD 3.25Å; R48-E87 IonicContact NH1-OE1 3.73Å; R48-E87 PolarHBondContact NH1-OE1 3.08Å; R48-E87 IonicContact NH1-OE2 3.71Å; R48-E87 PolarHBondContact NH1-OE2 3.29Å; R48-E87 IonicContact NH2-OE1 3.37Å; R48-E87 PolarHBondContact NH2-OE1 3.42Å; M83-E87 VanDerWaalsContact CA-OE2 3.27Å; M83-E87 WeakPolarHBondContact CA-OE2 3.45Å; M83-E87 HydrophobicContact CB-CB 4.34Å; M83-E87 HydrophobicContact CE-CB 3.92Å; T84-E87 PolarHBondContact N-OE2 3.27Å; T84-E87 PolarHBondContact O-N 3.13Å; T84-E87 PolarHBondContact OG1-N 3.31Å; E87-M89 VanDerWaalsContact C-N 3.33Å; E87-M89 PolarHBondContact O-N 3.43Å; E87-S90 PolarHBondContact O-N 2.85Å; E87-L91 VanDerWaalsContact O-CB 3.29Å; E87-L91 WeakPolarHBondContact O-CB 3.45Å; E87-L91 VanDerWaalsContact O-CG 3.32Å; E87-L91 WeakPolarHBondContact O-CG 3.5Å; E87-L91 PolarHBondContact O-N 2.92Å
88V88.9Confident90.6Very high0 Ų033.4 Ų33.40%018%0.179CC..Hα-helixtrans-60.9-44.9177.21800000109.9L80 M83 T84 S85 L91 M92 F260 W300L80-V88 HydrophobicContact CD1-CG1 4.42Å; M83-V88 HydrophobicContact CB-CG2 3.74Å; M83-V88 HydrophobicContact CE-CG2 4.06Å; M83-V88 HydrophobicContact SD-CG2 4.26Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 2.96Å; S85-V88 PolarHBondContact O-N 3.27Å; V88-L91 PolarHBondContact O-N 2.92Å; V88-M92 HydrophobicContact CG1-CB 4.43Å; V88-M92 WeakPolarHBondContact O-CA 3.49Å; V88-M92 VanDerWaalsContact O-CB 3.25Å; V88-M92 WeakPolarHBondContact O-CB 3.43Å; V88-M92 PolarHBondContact O-N 3.38Å; V88-F260 HydrophobicContact CG1-CB 4.13Å; V88-F260 HydrophobicContact CG2-CD1 4.33Å; V88-F260 HydrophobicContact CG2-CD2 4.28Å; V88-F260 HydrophobicContact CG2-CG 4.16Å; V88-W300 HydrophobicContact CG1-CH2 4Å; V88-W300 HydrophobicContact CG1-CZ2 4.19Å; V88-W300 HydrophobicContact CG1-CZ3 4.5Å
89M86.8Confident89.8Confident24 Ų2435.7 Ų35.712%0.11820%0.195CC..Hα-helixtrans-65.6-46.6179.3-68.7-52.895.800111.9S85 E86 E87 L91 S93 A254 S255 W300S85-M89 WeakPolarHBondContact O-CB 3.45Å; S85-M89 VanDerWaalsContact O-CG 3.3Å; S85-M89 WeakPolarHBondContact O-CG 2.98Å; S85-M89 PolarHBondContact O-N 3.17Å; E86-M89 PolarHBondContact O-N 3.3Å; E87-M89 VanDerWaalsContact C-N 3.33Å; E87-M89 PolarHBondContact O-N 3.43Å; M89-L91 VanDerWaalsContact C-N 3.29Å; M89-L91 PolarHBondContact O-N 3.05Å; M89-S93 WeakPolarHBondContact CE-OG 3.16Å; M89-S93 CarbonylContact O-C 3.52Å; M89-S93 PolarHBondContact O-N 2.86Å; M89-S93 VanDerWaalsContact O-N 3.07Å; M89-S93 VanDerWaalsContact SD-CB 3.5Å; M89-S93 PolarHBondContact SD-OG 3.39Å; M89-S93 VanDerWaalsContact SD-OG 3.41Å; M89-A254 HydrophobicContact CE-CB 4.16Å; M89-A254 WeakPolarHBondContact CE-O 3.21Å; M89-A254 HydrophobicContact SD-CB 4.42Å; M89-S255 VanDerWaalsContact SD-CA 3.59Å; M89-W300 HydrophobicContact CE-CH2 4.39Å
90S84.6Confident88.6Confident92 Ų9239 Ų3964%0.64321%0.211SC*.Hα-helixtrans-63.5-34-179-174.80000113.1E86 E87E86-S90 VanDerWaalsContact O-CB 3.26Å; E86-S90 WeakPolarHBondContact O-CB 3.44Å; E86-S90 PolarHBondContact O-N 3.49Å; E87-S90 PolarHBondContact O-N 2.85Å
91L82.4Confident86.9Confident63 Ų6351 Ų5133%0.3326%0.256SS..Hα-helixtrans-97.5-29.3-173.7-65.7172.7000113M83 E87 V88 M89 S135 C136 G137M83-L91 HydrophobicContact CE-CD1 3.7Å; E87-L91 VanDerWaalsContact O-CB 3.29Å; E87-L91 WeakPolarHBondContact O-CB 3.45Å; E87-L91 VanDerWaalsContact O-CG 3.32Å; E87-L91 WeakPolarHBondContact O-CG 3.5Å; E87-L91 PolarHBondContact O-N 2.92Å; V88-L91 PolarHBondContact O-N 2.92Å; M89-L91 VanDerWaalsContact C-N 3.29Å; M89-L91 PolarHBondContact O-N 3.05Å; L91-S135 CarbonylContact O-C 3.6Å; L91-S135 VanDerWaalsContact O-C 3.31Å; L91-C136 CarbonylContact O-C 3.13Å; L91-C136 PolarHBondContact O-N 3.26Å; L91-G137 PolarHBondContact O-N 2.91Å
92M83.4Confident85.7Confident4 Ų457.7 Ų57.72%0.0229%0.288CS..Hα-helixtrans-128.5-6.5-165-54.7-176.34500114.6L80 V88 Q133 G134 W300L80-M92 HydrophobicContact CD1-CE 4.39Å; L80-M92 HydrophobicContact CD2-CE 3.94Å; L80-M92 HydrophobicContact CD2-SD 3.61Å; V88-M92 HydrophobicContact CG1-CB 4.43Å; V88-M92 WeakPolarHBondContact O-CA 3.49Å; V88-M92 VanDerWaalsContact O-CB 3.25Å; V88-M92 WeakPolarHBondContact O-CB 3.43Å; V88-M92 PolarHBondContact O-N 3.38Å; M92-Q133 PolarHBondContact O-NE2 3Å; M92-Q133 PolarHBondContact O-OE1 2.97Å; M92-G134 WeakPolarHBondContact CG-O 3.05Å; M92-W300 HydrophobicContact CB-CZ2 4.43Å; M92-W300 HydrophobicContact CE-CB 3.77Å; M92-W300 HydrophobicContact CE-CD2 3.67Å; M92-W300 HydrophobicContact CE-CG 3.24Å; M92-W300 PolarHBondContact O-NE1 2.94Å
93S79.1Confident84.7Confident10 Ų1058.6 Ų58.67%0.0729%0.291CS..  trans-133.490.3179.1-55.90000111M89 N277M89-S93 WeakPolarHBondContact CE-OG 3.16Å; M89-S93 CarbonylContact O-C 3.52Å; M89-S93 PolarHBondContact O-N 2.86Å; M89-S93 VanDerWaalsContact O-N 3.07Å; M89-S93 VanDerWaalsContact SD-CB 3.5Å; M89-S93 PolarHBondContact SD-OG 3.39Å; M89-S93 VanDerWaalsContact SD-OG 3.41Å; S93-N277 CarbonylContact C-O 3.47Å; S93-N277 VanDerWaalsContact C-O 3.24Å; S93-N277 WeakPolarHBondContact CB-O 3.47Å
94S86.1Confident83.9Confident22 Ų2263.1 Ų63.115%0.15432%0.315CS..  trans-126.263-178.7-51.20000111.8G137 G182 G183S94-G137 WeakPolarHBondContact OG-CA 3.37Å; S94-G182 VanDerWaalsContact CB-CA 3.46Å; S94-G182 CarbonylContact O-C 3.56Å; S94-G182 WeakPolarHBondContact O-CA 3.44Å; S94-G183 PolarHBondContact O-N 2.97Å; S94-G183 VanDerWaalsContact O-N 3.15Å
95L92.4Very high83.3Confident18 Ų1865 Ų659%0.09432%0.323CS..BIsolated β-bridgetrans-82.5119.3172.8-164.566.2000110.8V97 W140 F184 M185 V276 N277L95-V97 HydrophobicContact CD2-CG2 4.17Å; L95-V97 HydrophobicContact CG-CG2 4.16Å; L95-V97 PolarHBondContact O-N 3.43Å; L95-W140 HydrophobicContact CD1-CB 4.08Å; L95-F184 HydrophobicContact CD1-CD2 3.55Å; L95-F184 HydrophobicContact CD1-CE2 3.89Å; L95-F184 HydrophobicContact CD2-CD2 4.44Å; L95-F184 HydrophobicContact CD2-CE2 4Å; L95-F184 HydrophobicContact CG-CD2 3.79Å; L95-F184 HydrophobicContact CG-CE2 3.84Å; L95-M185 HydrophobicContact CD1-CE 4.33Å; L95-M185 HydrophobicContact CD1-SD 3.46Å; L95-M185 WeakPolarHBondContact CD1-SD 3.45Å; L95-V276 HydrophobicContact CD2-CB 4.31Å; L95-V276 HydrophobicContact CD2-CG2 3.84Å; L95-N277 VanDerWaalsContact CB-C 3.48Å; L95-N277 VanDerWaalsContact CB-O 3.25Å; L95-N277 WeakPolarHBondContact CB-O 3.44Å; L95-N277 PolarHBondContact N-O 3.26Å
96R92.6Very high82.9Confident100 Ų10067.8 Ų67.838%0.37734%0.339SS..  trans-96.282177.8-63.5-176.375.184.89.7110.1G182 G183 F184R96-G182 VanDerWaalsContact CD-C 3.41Å; R96-G182 WeakPolarHBondContact CD-O 3.5Å; R96-G183 PolarHBondContact N-O 3.09Å; R96-F184 WeakPolarHBondContact O-CD2 3.34Å
97V91.1Very high82.8Confident55 Ų5563 Ų6333%0.33332%0.315SS..PPolyproline II helixtrans-63.8124.7-173.7-173.30000111.5L95 F184 V276 F325L95-V97 HydrophobicContact CD2-CG2 4.17Å; L95-V97 HydrophobicContact CG-CG2 4.16Å; L95-V97 PolarHBondContact O-N 3.43Å; V97-F184 HydrophobicContact CB-CE2 4.38Å; V97-F184 HydrophobicContact CG1-CE2 4.43Å; V97-F184 HydrophobicContact CG2-CE2 4.25Å; V97-V276 HydrophobicContact CG2-CG2 3.58Å; V97-V276 WeakPolarHBondContact CG2-O 3.39Å; V97-F325 HydrophobicContact CG1-CD1 4.03Å; V97-F325 HydrophobicContact CG1-CD2 4.09Å; V97-F325 HydrophobicContact CG1-CE1 3.43Å; V97-F325 VanDerWaalsContact CG1-CE1 3.43Å; V97-F325 HydrophobicContact CG1-CE2 3.51Å; V97-F325 HydrophobicContact CG1-CG 4.34Å; V97-F325 HydrophobicContact CG1-CZ 3.14Å
98P85.8Confident82.3Confident15 Ų1569.6 Ų69.610%0.09734%0.343CS..PPolyproline II helixtrans-72.6161.8171.331.5-33.9000110.9F184P98-F184 VanDerWaalsContact CD-CE1 3.41Å; P98-F184 VanDerWaalsContact CD-CZ 3.41Å; P98-F184 HydrophobicContact CG-CD1 3.81Å; P98-F184 HydrophobicContact CG-CE1 3.62Å; P98-F184 HydrophobicContact CG-CG 4.37Å; P98-F184 HydrophobicContact CG-CZ 4.05Å
99S81.3Confident82Confident56 Ų5671.9 Ų71.939%0.39236%0.359SS..PPolyproline II helixtrans-64.8144.6175.4750000110.2W101 Q102S99-W101 PolarHBondContact O-N 3.35Å; S99-Q102 WeakPolarHBondContact O-CB 3.41Å; S99-Q102 PolarHBondContact O-N 2.78Å; S99-Q102 VanDerWaalsContact OG-CD 3.29Å; S99-Q102 VanDerWaalsContact OG-CG 3.27Å; S99-Q102 WeakPolarHBondContact OG-CG 3.3Å; S99-Q102 PolarHBondContact OG-OE1 3.29Å
100Q71.7Confident81.9Confident84 Ų8474.6 Ų74.639%0.39337%0.374SS..G310 helixtrans-60.6-32.4-176.4-70.7-160.420.200113.2Q102 R103 F325Q100-Q102 PolarHBondContact O-N 3.29Å; Q100-R103 PolarHBondContact O-N 3.38Å; Q100-F325 HydrophobicContact CG-CE1 4.09Å; Q100-F325 HydrophobicContact CG-CZ 3.98Å
101W61.5Low81.5Confident255 Ų25575.5 Ų75.597%0.96638%0.378SS*.G310 helixtrans-69.3-14.2179.4-59.2-26.6000113.8S99 R103S99-W101 PolarHBondContact O-N 3.35Å; W101-R103 VanDerWaalsContact C-N 3.31Å
102Q73.4Confident81.3Confident140 Ų14079.5 Ų79.565%0.65440%0.4SS*.G310 helixtrans-85.1-2.3176.1-72.6172.5-18.800113.4S99 Q100S99-Q102 WeakPolarHBondContact O-CB 3.41Å; S99-Q102 PolarHBondContact O-N 2.78Å; S99-Q102 VanDerWaalsContact OG-CD 3.29Å; S99-Q102 VanDerWaalsContact OG-CG 3.27Å; S99-Q102 WeakPolarHBondContact OG-CG 3.3Å; S99-Q102 PolarHBondContact OG-OE1 3.29Å; Q100-Q102 PolarHBondContact O-N 3.29Å
103R76.8Confident81.4Confident22 Ų2282.8 Ų82.88%0.08342%0.415CS..  trans-85.4134.2-176-61.1-162.1-64148.3-6.4112.2Q100 W101 I105 E229 L230 S324Q100-R103 PolarHBondContact O-N 3.38Å; W101-R103 VanDerWaalsContact C-N 3.31Å; R103-I105 HydrophobicContact CB-CG1 4.4Å; R103-I105 PolarHBondContact O-N 3.02Å; R103-E229 WeakPolarHBondContact CA-OE2 3.32Å; R103-E229 VanDerWaalsContact CD-OE1 3.26Å; R103-E229 WeakPolarHBondContact CD-OE1 3.47Å; R103-E229 VanDerWaalsContact CG-OE1 3.28Å; R103-E229 WeakPolarHBondContact CG-OE1 3.38Å; R103-L230 PolarHBondContact NH1-O 2.99Å; R103-S324 PolarHBondContact NH1-O 3.12Å; R103-S324 PolarHBondContact NH2-O 2.97Å
104N79.7Confident81.9Confident115 Ų11591 Ų9162%0.61546%0.455SS*.  trans-96.682.9177.6-1699.2000110T106 E229N104-T106 PolarHBondContact O-N 3.21Å; N104-T106 VanDerWaalsContact O-N 3.15Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.42Å; N104-E229 PolarHBondContact N-OE2 3.43Å
105I81.6Confident82.4Confident82 Ų8291.9 Ų91.942%0.42146%0.457SS..BIsolated β-bridgetrans-75.7104.3-177.9-58.4164.9000108.9R103 P231R103-I105 HydrophobicContact CB-CG1 4.4Å; R103-I105 PolarHBondContact O-N 3.02Å; I105-P231 HydrophobicContact CG2-CB 4.27Å; I105-P231 HydrophobicContact CG2-CG 3.74Å
106T81.1Confident82.6Confident79 Ų7994.2 Ų94.249%0.48547%0.474SS..  trans-114-10.1-176.353.10000113.6N104 K108N104-T106 PolarHBondContact O-N 3.21Å; N104-T106 VanDerWaalsContact O-N 3.15Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.42Å; T106-K108 PolarHBondContact O-N 2.8Å
107Y86.4Confident82.7Confident35 Ų3595.6 Ų95.614%0.13749%0.488CS..  trans-68.8128.4179.9-168.2-96.1000111.8T228 L230 V237 E240 V241 Y328Y107-T228 HydrophobicContact CD2-CG2 4.29Å; Y107-L230 HydrophobicContact CD1-CD2 4.42Å; Y107-L230 HydrophobicContact CD2-CD2 4.25Å; Y107-L230 HydrophobicContact CG-CD2 3.9Å; Y107-V237 HydrophobicContact CD1-CG1 3.45Å; Y107-V237 VanDerWaalsContact CD1-CG1 3.45Å; Y107-V237 HydrophobicContact CE1-CG1 3.68Å; Y107-V237 HydrophobicContact CG-CG1 4.45Å; Y107-E240 VanDerWaalsContact OH-CD 3.26Å; Y107-E240 PolarHBondContact OH-OE1 3.07Å; Y107-V241 HydrophobicContact CD1-CG2 4.19Å; Y107-V241 HydrophobicContact CD2-CG2 3.98Å; Y107-V241 HydrophobicContact CE1-CG2 3.75Å; Y107-V241 HydrophobicContact CE2-CG2 3.53Å; Y107-V241 HydrophobicContact CG-CG2 4.29Å; Y107-V241 VanDerWaalsContact CZ-CG2 3.41Å; Y107-Y328 HydrophobicContact CD2-CE1 4.49Å
108K81.7Confident83.1Confident191 Ų19196.2 Ų96.283%0.8350%0.495SS*.  trans-107.9113.3173-65.6-176.2-179.9-179.20108.6T106T106-K108 PolarHBondContact O-N 2.8Å
109S83.6Confident83.7Confident48 Ų4896.1 Ų96.134%0.33649%0.494SS..  trans-74.2149.7179.158.90000112P111 E240S109-P111 WeakPolarHBondContact O-CD 3.38Å; S109-E240 WeakPolarHBondContact CA-OE2 3.42Å; S109-E240 WeakPolarHBondContact CB-OE2 3.14Å
110N84.3Confident84.5Confident81 Ų8194.6 Ų94.643%0.43348%0.482SS..  trans-108.195169.2-176.21.4000109.9N112 Q113 E240N110-N112 PolarHBondContact O-N 2.87Å; N110-N112 VanDerWaalsContact O-N 3.08Å; N110-N112 PolarHBondContact OD1-N 2.91Å; N110-Q113 HydrophobicContact CB-CB 4.33Å; N110-Q113 WeakPolarHBondContact O-CB 3.16Å; N110-Q113 PolarHBondContact O-N 2.92Å; N110-Q113 VanDerWaalsContact O-N 3.12Å; N110-E240 PolarHBondContact N-OE1 2.66Å; N110-E240 VanDerWaalsContact N-OE1 3.14Å; N110-E240 PolarHBondContact N-OE2 2.93Å
111P75.6Confident85.8Confident111 Ų11191.3 Ų91.372%0.72147%0.466SS*.THydrogen-bonded Turntrans-65.8-16.3-172.926.4-34.4000114.1S109S109-P111 WeakPolarHBondContact O-CD 3.38Å
112N78.8Confident87.6Confident146 Ų14684 Ų8478%0.78144%0.438SS*.THydrogen-bonded Turntrans-930.1-179.3-64.6-26.9000113N110 M114N110-N112 PolarHBondContact O-N 2.87Å; N110-N112 VanDerWaalsContact O-N 3.08Å; N110-N112 PolarHBondContact OD1-N 2.91Å; N112-M114 PolarHBondContact O-N 2.91Å
113Q85.1Confident88.8Confident73 Ų7385.3 Ų85.334%0.34144%0.444SS..  trans-75124.4-179.4-172176.2-7.900110.7N110 L115 N244N110-Q113 HydrophobicContact CB-CB 4.33Å; N110-Q113 WeakPolarHBondContact O-CB 3.16Å; N110-Q113 PolarHBondContact O-N 2.92Å; N110-Q113 VanDerWaalsContact O-N 3.12Å; Q113-L115 HydrophobicContact CG-CD2 4.06Å; Q113-L115 PolarHBondContact O-N 3.32Å; Q113-N244 PolarHBondContact NE2-ND2 3.15Å; Q113-N244 VanDerWaalsContact NE2-ND2 3.12Å; Q113-N244 PolarHBondContact NE2-OD1 3.07Å; Q113-N244 PolarHBondContact OE1-ND2 2.98Å
114M90.3Very high89.7Confident184 Ų18489.9 Ų89.991%0.90646%0.464SS*.  trans-70.8121.6167.6-70.2-175.373.600109.6N112N112-M114 PolarHBondContact O-N 2.91Å
115L95.3Very high90.6Very high40 Ų4085.8 Ų85.821%0.20945%0.45CS..  trans-107.3146.8176.6-58175.1000109.3Q113 K239 E240 A243Q113-L115 HydrophobicContact CG-CD2 4.06Å; Q113-L115 PolarHBondContact O-N 3.32Å; L115-K239 HydrophobicContact CD1-CD 4.34Å; L115-K239 HydrophobicContact CD1-CG 4.2Å; L115-E240 VanDerWaalsContact CD1-CA 3.49Å; L115-E240 HydrophobicContact CD1-CB 3.92Å; L115-E240 HydrophobicContact CD1-CG 4.39Å; L115-E240 HydrophobicContact CD2-CG 4.3Å; L115-A243 HydrophobicContact CD2-CB 3.99Å
116P96.9Very high91.4Very high67 Ų6782.1 Ų82.144%0.43543%0.431SS..  trans-60.5149.6173.426.9-34.6000110.8S118 V119 A243 Y285P116-S118 VanDerWaalsContact C-N 3.28Å; P116-S118 PolarHBondContact O-N 2.88Å; P116-V119 HydrophobicContact CB-CG2 4.42Å; P116-V119 HydrophobicContact CG-CG2 3.53Å; P116-A243 HydrophobicContact CG-CB 4.47Å; P116-Y285 WeakPolarHBondContact O-CE2 3.47Å; P116-Y285 PolarHBondContact O-OH 2.8Å
117D95.9Very high92.2Very high129 Ų12979.2 Ų79.269%0.6941%0.414SS*.SBendtrans-68.5-28.3-179.8-69.4-31000112.9Y285D117-Y285 WeakPolarHBondContact O-CE2 3.4Å
118S98.3Very high92.8Very high67 Ų6778 Ų7847%0.46941%0.409SS..  trans-139.9146.4176.2-62.20000111P116 Y285 G286P116-S118 VanDerWaalsContact C-N 3.28Å; P116-S118 PolarHBondContact O-N 2.88Å; S118-Y285 CarbonylContact C-O 3.09Å; S118-Y285 VanDerWaalsContact CA-O 3.25Å; S118-Y285 WeakPolarHBondContact CA-O 3.47Å; S118-G286 VanDerWaalsContact OG-CA 3.29Å; S118-G286 WeakPolarHBondContact OG-CA 3.31Å
119V98.7Very high93.6Very high14 Ų1474.5 Ų74.59%0.08540%0.396CS..EExtended strand (participates in β ladder)trans-138.1134.5175.5172.60000108.1P116 W121 V242 A243 G284 Y285P116-V119 HydrophobicContact CB-CG2 4.42Å; P116-V119 HydrophobicContact CG-CG2 3.53Å; V119-W121 HydrophobicContact CG1-CG 4.44Å; V119-V242 HydrophobicContact CG1-CG1 4.5Å; V119-A243 HydrophobicContact CG2-CB 4.31Å; V119-G284 CarbonylContact O-C 3.56Å; V119-G284 WeakPolarHBondContact O-CA 3.48Å; V119-Y285 HydrophobicContact CB-CD1 4.26Å; V119-Y285 HydrophobicContact CB-CE1 3.92Å; V119-Y285 HydrophobicContact CB-CE2 4.48Å; V119-Y285 HydrophobicContact CG2-CE1 3.74Å; V119-Y285 HydrophobicContact CG2-CE2 4.14Å; V119-Y285 VanDerWaalsContact CG2-CZ 3.5Å; V119-Y285 WeakPolarHBondContact CG2-OH 3.37Å; V119-Y285 PolarHBondContact N-O 3.32Å; V119-Y285 PolarHBondContact O-N 2.82Å
120D98.8Very high94.3Very high24 Ų2473 Ų7313%0.12839%0.385CS..EExtended strand (participates in β ladder)trans-134.5109.5168.3-169-20.6000109.8R122 E123 L295D120-R122 PolarHBondContact O-N 3.24Å; D120-R122 WeakPolarHBondContact OD1-CA 3.42Å; D120-R122 WeakPolarHBondContact OD1-CB 3.39Å; D120-R122 WeakPolarHBondContact OD1-CG 3.49Å; D120-R122 PolarHBondContact OD1-N 3.07Å; D120-R122 IonicContact OD1-NE 3.16Å; D120-R122 PolarHBondContact OD1-NE 2.87Å; D120-R122 IonicContact OD2-CZ 2.7Å; D120-R122 IonicContact OD2-NE 3.33Å; D120-R122 PolarHBondContact OD2-NE 3.48Å; D120-R122 IonicContact OD2-NH2 3.05Å; D120-R122 PolarHBondContact OD2-NH2 3.31Å; D120-E123 HydrophobicContact CB-CG 4.02Å; D120-E123 PolarHBondContact O-N 3.1Å; D120-L295 HydrophobicContact CB-CD2 4.35Å; D120-L295 WeakPolarHBondContact OD2-CD2 3.29Å
121W98.8Very high94.9Very high14 Ų1471.5 Ų71.55%0.05338%0.375CS..THydrogen-bonded Turntrans-72.7-11.3179.3-75.6103.6000113.6V119 K124 G125 C126 V127 L154 V242 P247 V283V119-W121 HydrophobicContact CG1-CG 4.44Å; W121-K124 HydrophobicContact CD2-CD 4.21Å; W121-K124 HydrophobicContact CE3-CB 3.98Å; W121-K124 HydrophobicContact CE3-CD 3.48Å; W121-K124 VanDerWaalsContact CE3-CD 3.48Å; W121-K124 HydrophobicContact CE3-CG 4.31Å; W121-K124 HydrophobicContact CH2-CD 4.1Å; W121-K124 HydrophobicContact CZ3-CB 4.36Å; W121-K124 HydrophobicContact CZ3-CD 3.4Å; W121-K124 PolarHBondContact O-N 3.42Å; W121-G125 PolarHBondContact O-N 3.17Å; W121-C126 HydrophobicContact CB-CB 4.27Å; W121-C126 HydrophobicContact CE3-CB 3.83Å; W121-C126 PolarHBondContact O-N 3.11Å; W121-C126 VanDerWaalsContact O-N 3.08Å; W121-V127 HydrophobicContact CB-CG2 3.84Å; W121-L154 HydrophobicContact CH2-CD1 4.42Å; W121-L154 HydrophobicContact CH2-CD2 4.14Å; W121-L154 HydrophobicContact CZ3-CD1 4.41Å; W121-L154 HydrophobicContact CZ3-CD2 3.74Å; W121-L154 HydrophobicContact CZ3-CG 4.49Å; W121-V242 PolarHBondContact NE1-O 3.38Å; W121-P247 HydrophobicContact CB-CG 3.87Å; W121-P247 HydrophobicContact CG-CG 3.87Å; W121-V283 WeakPolarHBondContact CB-O 3.07Å; W121-V283 PolarHBondContact N-O 3.07Å
122R98.6Very high96Very high103 Ų10372.2 Ų72.239%0.38936%0.364SS..THydrogen-bonded Turntrans-66-41.4171.9-56175.9-64.3-1792.9110.4D120 K124 G125 V127 Y309D120-R122 PolarHBondContact O-N 3.24Å; D120-R122 WeakPolarHBondContact OD1-CA 3.42Å; D120-R122 WeakPolarHBondContact OD1-CB 3.39Å; D120-R122 WeakPolarHBondContact OD1-CG 3.49Å; D120-R122 PolarHBondContact OD1-N 3.07Å; D120-R122 IonicContact OD1-NE 3.16Å; D120-R122 PolarHBondContact OD1-NE 2.87Å; D120-R122 IonicContact OD2-CZ 2.7Å; D120-R122 IonicContact OD2-NE 3.33Å; D120-R122 PolarHBondContact OD2-NE 3.48Å; D120-R122 IonicContact OD2-NH2 3.05Å; D120-R122 PolarHBondContact OD2-NH2 3.31Å; R122-K124 PolarHBondContact O-N 2.89Å; R122-G125 PolarHBondContact O-N 3.14Å; R122-V127 HydrophobicContact CG-CB 4.06Å; R122-V127 HydrophobicContact CG-CG1 4.33Å; R122-V127 HydrophobicContact CG-CG2 4.06Å; R122-Y309 HydrophobicContact CG-CE1 4.42Å
123E98.1Very high96.8Very high166 Ų16665.3 Ų65.378%0.77633%0.327SS*.THydrogen-bonded Turntrans-62.9-26.9177.7-61.5179.9171.100112.4D120 G125D120-E123 HydrophobicContact CB-CG 4.02Å; D120-E123 PolarHBondContact O-N 3.1Å; E123-G125 VanDerWaalsContact C-N 3.32Å
124K96.8Very high97.1Very high118 Ų11862.1 Ų62.151%0.51331%0.314SS..THydrogen-bonded Turntrans-89.15.3175.9-60.9-179.8-179.9-179.60113.3W121 R122 C126W121-K124 HydrophobicContact CD2-CD 4.21Å; W121-K124 HydrophobicContact CE3-CB 3.98Å; W121-K124 HydrophobicContact CE3-CD 3.48Å; W121-K124 VanDerWaalsContact CE3-CD 3.48Å; W121-K124 HydrophobicContact CE3-CG 4.31Å; W121-K124 HydrophobicContact CH2-CD 4.1Å; W121-K124 HydrophobicContact CZ3-CB 4.36Å; W121-K124 HydrophobicContact CZ3-CD 3.4Å; W121-K124 PolarHBondContact O-N 3.42Å; R122-K124 PolarHBondContact O-N 2.89Å; K124-C126 PolarHBondContact O-N 3.49Å; K124-C126 PolarHBondContact O-SG 3.01Å; K124-C126 VanDerWaalsContact O-SG 3.41Å
125G97.6Very high97.2Very high30 Ų3057.4 Ų57.431%0.30930%0.299SS..THydrogen-bonded Turntrans60.229.8-178.900000113.7W121 R122 E123 K153W121-G125 PolarHBondContact O-N 3.17Å; R122-G125 PolarHBondContact O-N 3.14Å; E123-G125 VanDerWaalsContact C-N 3.32Å; G125-K153 WeakPolarHBondContact O-CE 3.36Å; G125-K153 WeakPolarHBondContact O-CG 3.47Å
126C98.1Very high97.2Very high4 Ų455.6 Ų55.63%0.02729%0.289CS..  trans-99.75.5-179-66.30000113.3W121 K124 A150 K153W121-C126 HydrophobicContact CB-CB 4.27Å; W121-C126 HydrophobicContact CE3-CB 3.83Å; W121-C126 PolarHBondContact O-N 3.11Å; W121-C126 VanDerWaalsContact O-N 3.08Å; K124-C126 PolarHBondContact O-N 3.49Å; K124-C126 PolarHBondContact O-SG 3.01Å; K124-C126 VanDerWaalsContact O-SG 3.41Å; C126-A150 HydrophobicContact CB-CB 4.32Å; C126-A150 WeakPolarHBondContact O-CA 3.46Å; C126-A150 VanDerWaalsContact O-CB 3.3Å; C126-A150 WeakPolarHBondContact O-CB 3.22Å; C126-K153 HydrophobicContact CB-CG 4.34Å
127V98.6Very high97.2Very high19 Ų1952.4 Ų52.412%0.11527%0.269CS..SBendtrans-125.9120.8-176.1-175.20000108.4W121 R122 P247 V283 K297 Y309W121-V127 HydrophobicContact CB-CG2 3.84Å; R122-V127 HydrophobicContact CG-CB 4.06Å; R122-V127 HydrophobicContact CG-CG1 4.33Å; R122-V127 HydrophobicContact CG-CG2 4.06Å; V127-P247 HydrophobicContact CG2-CG 4.44Å; V127-V283 HydrophobicContact CG1-CG1 4.1Å; V127-V283 HydrophobicContact CG2-CB 3.93Å; V127-V283 HydrophobicContact CG2-CG1 3.81Å; V127-K297 HydrophobicContact CG1-CD 3.69Å; V127-Y309 WeakPolarHBondContact CG1-OH 3.46Å
128T98.6Very high97.2Very high8 Ų846.3 Ų46.35%0.04924%0.236CC..PPolyproline II helixtrans-70.1169.2174.662.70000111.6E149 L159 S161 K297T128-E149 WeakPolarHBondContact CB-OE2 3.35Å; T128-E149 HydrophobicContact CG2-CB 4.2Å; T128-E149 VanDerWaalsContact CG2-CD 3.42Å; T128-E149 HydrophobicContact CG2-CG 4.09Å; T128-E149 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E149 PolarHBondContact OG1-OE2 2.6Å; T128-L159 HydrophobicContact CG2-CD1 3.77Å; T128-L159 HydrophobicContact CG2-CD2 4.16Å; T128-L159 HydrophobicContact CG2-CG 3.82Å; T128-S161 WeakPolarHBondContact CB-OG 3.32Å; T128-S161 WeakPolarHBondContact CG2-OG 3.29Å; T128-K297 WeakPolarHBondContact O-CE 3.42Å; T128-K297 PolarHBondContact O-NZ 3.02Å; T128-K297 PolarHBondContact OG1-NZ 3.16Å
129E98.3Very high97.2Very high118 Ų11843.1 Ų43.155%0.55121%0.214SC*.PPolyproline II helixtrans-52.4147.9170.3-66.9-61128.600112.2K131 K297 R302E129-K131 PolarHBondContact O-NZ 3.29Å; E129-K297 PolarHBondContact O-NZ 3.21Å; E129-K297 VanDerWaalsContact O-NZ 3.13Å; E129-R302 IonicContact OE2-NH1 3.42Å; E129-R302 PolarHBondContact OE2-NH1 3.44Å
130V98.5Very high97.2Very high17 Ų1742.4 Ų42.410%0.10321%0.21CC..PPolyproline II helixtrans-61.1138.3172.31730000109.9K297 R302 Y309V130-K297 HydrophobicContact CG2-CG 4.19Å; V130-R302 HydrophobicContact CB-CG 4.04Å; V130-R302 HydrophobicContact CG1-CG 4.49Å; V130-Y309 HydrophobicContact CG2-CD2 4.14Å; V130-Y309 HydrophobicContact CG2-CE2 3.55Å
131K98.1Very high97.2Very high50 Ų5041.3 Ų41.322%0.21720%0.204CC..  trans-107.8167.4-178.6-57.8-64.8-172.2-90.40110.6E129 F142 S161 S299 G301E129-K131 PolarHBondContact O-NZ 3.29Å; K131-F142 HydrophobicContact CB-CD1 3.74Å; K131-F142 HydrophobicContact CB-CE1 3.44Å; K131-F142 VanDerWaalsContact CB-CE1 3.44Å; K131-F142 HydrophobicContact CB-CZ 4.3Å; K131-F142 HydrophobicContact CG-CD1 4.12Å; K131-F142 HydrophobicContact CG-CE1 3.91Å; K131-S161 PolarHBondContact NZ-OG 3.32Å; K131-S161 VanDerWaalsContact NZ-OG 3.11Å; K131-S299 CarbonylContact O-C 3.56Å; K131-S299 WeakPolarHBondContact O-CA 3.32Å; K131-G301 WeakPolarHBondContact O-CA 3.43Å; K131-G301 PolarHBondContact O-N 3.11Å
132Y97.7Very high97.2Very high126 Ų12641.7 Ų41.749%0.49421%0.206SC..BIsolated β-bridgetrans-123.7111.5178.4-177.9-109.2000110H79 G134 S299H79-Y132 AromaticContact NE2-CE2 3.6Å; Y132-G134 VanDerWaalsContact CE1-CA 3.42Å; Y132-S299 CarbonylContact C-O 3.56Å; Y132-S299 WeakPolarHBondContact CA-O 3.31Å
133Q95.4Very high97.2Very high0 Ų036.9 Ų36.90%019%0.188CC..  trans-77.4-20.4179.871.5-178.186.100113.5M92 C136 F142 Y206 S299M92-Q133 PolarHBondContact O-NE2 3Å; M92-Q133 PolarHBondContact O-OE1 2.97Å; Q133-C136 PolarHBondContact NE2-O 2.81Å; Q133-F142 HydrophobicContact CB-CD2 3.76Å; Q133-F142 HydrophobicContact CB-CE2 3.45Å; Q133-F142 VanDerWaalsContact CB-CE2 3.45Å; Q133-F142 HydrophobicContact CB-CZ 4.41Å; Q133-Y206 WeakPolarHBondContact O-CE1 3.12Å; Q133-Y206 PolarHBondContact O-OH 2.95Å; Q133-S299 PolarHBondContact N-O 2.98Å; Q133-S299 PolarHBondContact OE1-OG 3.41Å
134G92.9Very high97.3Very high7 Ų729 Ų297%0.07215%0.151CC..THydrogen-bonded Turntrans58.4-146.7-17700000113.1M92 Y132 C136M92-G134 WeakPolarHBondContact CG-O 3.05Å; Y132-G134 VanDerWaalsContact CE1-CA 3.42Å; G134-C136 PolarHBondContact O-N 3.44Å
135S91.4Very high97.4Very high85 Ų8523.6 Ų23.659%0.59413%0.128SC*.THydrogen-bonded Turntrans-79.930.4-174.958.60000114.3L91L91-S135 CarbonylContact O-C 3.6Å; L91-S135 VanDerWaalsContact O-C 3.31Å
136C95.7Very high97.4Very high1 Ų122.3 Ų22.31%0.00712%0.115CC..SBendtrans-124.6129.3179.6171.20000109.1L91 Q133 G134 A138 C180 Y206 A208L91-C136 CarbonylContact O-C 3.13Å; L91-C136 PolarHBondContact O-N 3.26Å; Q133-C136 PolarHBondContact NE2-O 2.81Å; G134-C136 PolarHBondContact O-N 3.44Å; C136-A138 PolarHBondContact O-N 3.04Å; C136-C180 HydrophobicContact CB-CB 3.92Å; C136-C180 WeakPolarHBondContact CB-SG 3.2Å; C136-C180 WeakPolarHBondContact SG-CA 3.16Å; C136-C180 WeakPolarHBondContact SG-CB 3.3Å; C136-C180 CovalentContact SG-SG 2.04Å; C136-C180 PolarHBondContact SG-SG 3.17Å; C136-Y206 VanDerWaalsContact CB-OH 3.32Å; C136-Y206 WeakPolarHBondContact CB-OH 3.08Å; C136-Y206 PolarHBondContact SG-OH 3.01Å; C136-Y206 VanDerWaalsContact SG-OH 3.32Å; C136-A208 HydrophobicContact CB-CB 4.17Å
137G95.9Very high97.5Very high1 Ų122.1 Ų22.11%0.0111%0.114CC..  trans-7245.9178.500000114.1L91 S94 W140 C180L91-G137 PolarHBondContact O-N 2.91Å; S94-G137 WeakPolarHBondContact OG-CA 3.37Å; G137-W140 PolarHBondContact O-NE1 2.58Å; G137-C180 WeakPolarHBondContact CA-O 3.43Å; G137-C180 PolarHBondContact N-O 3.45Å
138A97.5Very high97.5Very high0 Ų021.2 Ų21.20%011%0.109CC..  trans-93.816.3-17700000113.9C136 W140 A141 F142 V168 Y206C136-A138 PolarHBondContact O-N 3.04Å; A138-W140 PolarHBondContact O-N 2.84Å; A138-W140 VanDerWaalsContact O-N 3.13Å; A138-A141 HydrophobicContact CB-CB 4.42Å; A138-A141 WeakPolarHBondContact O-CA 3.3Å; A138-A141 WeakPolarHBondContact O-CB 3.39Å; A138-A141 PolarHBondContact O-N 2.83Å; A138-F142 HydrophobicContact CB-CD2 4.35Å; A138-F142 HydrophobicContact CB-CE2 4.28Å; A138-F142 WeakPolarHBondContact O-CD2 3.24Å; A138-F142 PolarHBondContact O-N 3.29Å; A138-F142 VanDerWaalsContact O-N 3.11Å; A138-V168 HydrophobicContact CB-CG2 3.69Å; A138-Y206 HydrophobicContact CB-CE2 4.14Å; A138-Y206 WeakPolarHBondContact CB-OH 3.38Å
139C97.9Very high97.5Very high0 Ų021.1 Ų21.10%011%0.107CC..Hα-helixtrans-51.5-37177.960.60000112.8A141 F142 S143 H278 G279C139-A141 VanDerWaalsContact C-N 3.34Å; C139-A141 PolarHBondContact O-N 2.91Å; C139-F142 PolarHBondContact O-N 2.03Å; C139-S143 WeakPolarHBondContact O-CB 3.48Å; C139-S143 PolarHBondContact O-N 2.99Å; C139-H278 WeakPolarHBondContact CB-CE1 2.88Å; C139-H278 WeakPolarHBondContact CB-ND1 3.19Å; C139-G279 PolarHBondContact SG-N 3.19Å; C139-G279 VanDerWaalsContact SG-N 3.43Å
140W98.6Very high97.5Very high0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-61.2-39.5175.264.4-88000112.6L95 G137 A138 A144 L167 V168 N177 G179 G183 M185 A188L95-W140 HydrophobicContact CD1-CB 4.08Å; G137-W140 PolarHBondContact O-NE1 2.58Å; A138-W140 PolarHBondContact O-N 2.84Å; A138-W140 VanDerWaalsContact O-N 3.13Å; W140-A144 WeakPolarHBondContact O-CB 3.22Å; W140-A144 PolarHBondContact O-N 2.71Å; W140-A144 VanDerWaalsContact O-N 3.07Å; W140-L167 HydrophobicContact CH2-CB 4.1Å; W140-L167 WeakPolarHBondContact CH2-O 3.22Å; W140-L167 HydrophobicContact CZ3-CB 4.05Å; W140-V168 HydrophobicContact CZ2-CG2 4.45Å; W140-N177 HydrophobicContact CH2-CB 3.74Å; W140-N177 HydrophobicContact CZ2-CB 3.9Å; W140-N177 HydrophobicContact CZ3-CB 4.13Å; W140-G179 PolarHBondContact NE1-O 2.88Å; W140-G179 VanDerWaalsContact NE1-O 3.09Å; W140-G183 WeakPolarHBondContact CB-O 3.3Å; W140-G183 VanDerWaalsContact CG-C 3.45Å; W140-M185 HydrophobicContact CB-SD 4.38Å; W140-M185 WeakPolarHBondContact O-CG 3.43Å; W140-A188 HydrophobicContact CE3-CB 3.98Å; W140-A188 HydrophobicContact CZ3-CB 3.75Å
141A98.7Very high97.5Very high0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-70.4-44.7177.800000110.6A138 C139 S143 A144 V145 A164 L167 V168A138-A141 HydrophobicContact CB-CB 4.42Å; A138-A141 WeakPolarHBondContact O-CA 3.3Å; A138-A141 WeakPolarHBondContact O-CB 3.39Å; A138-A141 PolarHBondContact O-N 2.83Å; C139-A141 VanDerWaalsContact C-N 3.34Å; C139-A141 PolarHBondContact O-N 2.91Å; A141-S143 PolarHBondContact O-N 3.38Å; A141-A144 PolarHBondContact O-N 3.46Å; A141-V145 WeakPolarHBondContact O-CG2 3.43Å; A141-V145 PolarHBondContact O-N 3.41Å; A141-A164 HydrophobicContact CB-CB 4.15Å; A141-L167 HydrophobicContact CB-CB 3.93Å; A141-L167 HydrophobicContact CB-CD1 4.08Å; A141-V168 HydrophobicContact CB-CG2 4.23Å
142F98.8Very high97.5Very high22 Ų2213.9 Ų13.910%0.0967%0.074CC..Hα-helixtrans-63-40.1176.7-77.3-71.9000113K131 Q133 A138 C139 V145 G146 A164 Y206K131-F142 HydrophobicContact CB-CD1 3.74Å; K131-F142 HydrophobicContact CB-CE1 3.44Å; K131-F142 VanDerWaalsContact CB-CE1 3.44Å; K131-F142 HydrophobicContact CB-CZ 4.3Å; K131-F142 HydrophobicContact CG-CD1 4.12Å; K131-F142 HydrophobicContact CG-CE1 3.91Å; Q133-F142 HydrophobicContact CB-CD2 3.76Å; Q133-F142 HydrophobicContact CB-CE2 3.45Å; Q133-F142 VanDerWaalsContact CB-CE2 3.45Å; Q133-F142 HydrophobicContact CB-CZ 4.41Å; A138-F142 HydrophobicContact CB-CD2 4.35Å; A138-F142 HydrophobicContact CB-CE2 4.28Å; A138-F142 WeakPolarHBondContact O-CD2 3.24Å; A138-F142 PolarHBondContact O-N 3.29Å; A138-F142 VanDerWaalsContact O-N 3.11Å; C139-F142 PolarHBondContact O-N 2.03Å; F142-V145 WeakPolarHBondContact O-CG2 3.29Å; F142-G146 PolarHBondContact O-N 3.3Å; F142-A164 HydrophobicContact CD1-CB 3.94Å; F142-A164 HydrophobicContact CD2-CB 4.37Å; F142-A164 HydrophobicContact CE1-CB 3.73Å; F142-A164 HydrophobicContact CE2-CB 4.18Å; F142-A164 HydrophobicContact CG-CB 4.26Å; F142-A164 HydrophobicContact CZ-CB 3.86Å; F142-Y206 HydrophobicContact CE2-CD1 4.4Å; F142-Y206 HydrophobicContact CE2-CD2 4.24Å; F142-Y206 AromaticContact CE2-CE1 3.95Å; F142-Y206 HydrophobicContact CE2-CE1 3.95Å; F142-Y206 AromaticContact CE2-CE2 3.79Å; F142-Y206 HydrophobicContact CE2-CE2 3.79Å; F142-Y206 AromaticContact CE2-CZ 3.6Å; F142-Y206 AromaticContact CZ-CD1 3.85Å; F142-Y206 HydrophobicContact CZ-CD1 3.85Å; F142-Y206 AromaticContact CZ-CD2 3.88Å; F142-Y206 HydrophobicContact CZ-CD2 3.88Å; F142-Y206 AromaticContact CZ-CE1 3.86Å; F142-Y206 HydrophobicContact CZ-CE1 3.86Å; F142-Y206 AromaticContact CZ-CE2 3.9Å; F142-Y206 HydrophobicContact CZ-CE2 3.9Å; F142-Y206 AromaticContact CZ-CG 3.85Å; F142-Y206 HydrophobicContact CZ-CG 3.85Å; F142-Y206 AromaticContact CZ-CZ 3.87Å
143S98.8Very high97.6Very high3 Ų310.7 Ų10.72%0.0216%0.062CC..Hα-helixtrans-62.3-44.1173.8179.40000111.4C139 A141 A147 S249 V280C139-S143 WeakPolarHBondContact O-CB 3.48Å; C139-S143 PolarHBondContact O-N 2.99Å; A141-S143 PolarHBondContact O-N 3.38Å; S143-A147 PolarHBondContact O-N 3.18Å; S143-S249 PolarHBondContact O-OG 2.94Å; S143-S249 WeakPolarHBondContact OG-CA 3.43Å; S143-S249 WeakPolarHBondContact OG-CB 3.47Å; S143-S249 PolarHBondContact OG-OG 3.05Å; S143-V280 PolarHBondContact OG-O 2.98Å
144A98.8Very high97.7Very high0 Ų014.5 Ų14.50%08%0.082CC..Hα-helixtrans-65.8-51.417900000112.6W140 A141 G146 A147 L148 L167 M185 A188 F189W140-A144 WeakPolarHBondContact O-CB 3.22Å; W140-A144 PolarHBondContact O-N 2.71Å; W140-A144 VanDerWaalsContact O-N 3.07Å; A141-A144 PolarHBondContact O-N 3.46Å; A144-G146 VanDerWaalsContact C-N 3.29Å; A144-G146 PolarHBondContact O-N 2.85Å; A144-A147 PolarHBondContact O-N 2.9Å; A144-L148 PolarHBondContact O-N 2.96Å; A144-L148 VanDerWaalsContact O-N 3.13Å; A144-L167 HydrophobicContact CB-CD1 4.08Å; A144-M185 HydrophobicContact CB-CB 4.24Å; A144-M185 HydrophobicContact CB-CG 4.38Å; A144-A188 HydrophobicContact CB-CB 3.86Å; A144-F189 HydrophobicContact CB-CD1 4.23Å; A144-F189 HydrophobicContact CB-CE1 3.64Å; A144-F189 HydrophobicContact CB-CZ 4.04Å; A144-F189 WeakPolarHBondContact O-CE1 3.46Å
145V98.8Very high97.9Very high4 Ų421.2 Ų21.22%0.02411%0.11CC..Hα-helixtrans-61.2-40.2178.8-61.90000111.1A141 F142 A147 L148 E149 L162 A164 L167 I198A141-V145 WeakPolarHBondContact O-CG2 3.43Å; A141-V145 PolarHBondContact O-N 3.41Å; F142-V145 WeakPolarHBondContact O-CG2 3.29Å; V145-A147 VanDerWaalsContact C-N 3.31Å; V145-A147 PolarHBondContact O-N 3.43Å; V145-L148 PolarHBondContact O-N 2.76Å; V145-L148 VanDerWaalsContact O-N 3.12Å; V145-E149 WeakPolarHBondContact O-CB 3.47Å; V145-E149 WeakPolarHBondContact O-CG 3.46Å; V145-E149 PolarHBondContact O-N 3.35Å; V145-L162 HydrophobicContact CB-CB 4.06Å; V145-L162 HydrophobicContact CG1-CB 4.18Å; V145-A164 HydrophobicContact CG2-CB 4.42Å; V145-L167 HydrophobicContact CG1-CD1 3.59Å; V145-L167 HydrophobicContact CG1-CG 4.41Å; V145-I198 HydrophobicContact CG1-CD1 3.93Å
146G98.8Very high98.2Very high4 Ų420.5 Ų20.54%0.04110%0.102CC..Hα-helixtrans-61-36.7179.400000113.8F142 A144F142-G146 PolarHBondContact O-N 3.3Å; A144-G146 VanDerWaalsContact C-N 3.29Å; A144-G146 PolarHBondContact O-N 2.85Å
147A98.9Very high98.3Very high0 Ų022.7 Ų22.70%012%0.124CC..Hα-helixtrans-70.6-40.8174.400000111.8S143 A144 V145 A150 Q151 F189 S249 L281 P329S143-A147 PolarHBondContact O-N 3.18Å; A144-A147 PolarHBondContact O-N 2.9Å; V145-A147 VanDerWaalsContact C-N 3.31Å; V145-A147 PolarHBondContact O-N 3.43Å; A147-A150 PolarHBondContact O-N 2.95Å; A147-Q151 PolarHBondContact O-N 3.36Å; A147-F189 HydrophobicContact CB-CZ 4.21Å; A147-S249 VanDerWaalsContact CB-OG 3.31Å; A147-S249 WeakPolarHBondContact CB-OG 3.42Å; A147-L281 HydrophobicContact CB-CD1 3.72Å; A147-P329 HydrophobicContact CB-CG 4.09Å
148L98.9Very high98.4Very high0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-71-35.7179.5-173.460.9000113A144 V145 A150 Q151 L152 L162 I192 I198 A222 C224 P329 I331A144-L148 PolarHBondContact O-N 2.96Å; A144-L148 VanDerWaalsContact O-N 3.13Å; V145-L148 PolarHBondContact O-N 2.76Å; V145-L148 VanDerWaalsContact O-N 3.12Å; L148-A150 PolarHBondContact O-N 3.37Å; L148-Q151 PolarHBondContact O-N 2.65Å; L148-Q151 VanDerWaalsContact O-N 3.16Å; L148-L152 PolarHBondContact O-N 2.93Å; L148-L162 HydrophobicContact CB-CD1 3.93Å; L148-L162 HydrophobicContact CD2-CD1 3.76Å; L148-L162 HydrophobicContact CG-CD1 3.67Å; L148-I192 HydrophobicContact CD2-CD1 3.64Å; L148-I192 HydrophobicContact CD2-CG2 4.16Å; L148-I198 HydrophobicContact CD2-CG2 3.87Å; L148-A222 HydrophobicContact CD2-CB 4.19Å; L148-A222 HydrophobicContact CG-CB 4.35Å; L148-C224 HydrophobicContact CD1-CB 4.46Å; L148-P329 HydrophobicContact CB-CG 3.94Å; L148-P329 HydrophobicContact CD1-CB 4.09Å; L148-P329 HydrophobicContact CD1-CG 4Å; L148-I331 HydrophobicContact CD1-CD1 4.42Å; L148-I331 HydrophobicContact CD1-CG1 3.97Å
149E98.9Very high98.4Very high5 Ų532.9 Ų32.92%0.02317%0.171CC..Hα-helixtrans-55.5-40.9173.2-75.417216600111.4T128 V145 L152 K153 V160 S161 L162T128-E149 WeakPolarHBondContact CB-OE2 3.35Å; T128-E149 HydrophobicContact CG2-CB 4.2Å; T128-E149 VanDerWaalsContact CG2-CD 3.42Å; T128-E149 HydrophobicContact CG2-CG 4.09Å; T128-E149 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E149 PolarHBondContact OG1-OE2 2.6Å; V145-E149 WeakPolarHBondContact O-CB 3.47Å; V145-E149 WeakPolarHBondContact O-CG 3.46Å; V145-E149 PolarHBondContact O-N 3.35Å; E149-L152 WeakPolarHBondContact O-CB 3.4Å; E149-L152 PolarHBondContact O-N 2.81Å; E149-K153 PolarHBondContact O-N 2.83Å; E149-V160 WeakPolarHBondContact CG-O 3.46Å; E149-S161 WeakPolarHBondContact OE1-CA 3.18Å; E149-L162 HydrophobicContact CG-CB 4.11Å; E149-L162 HydrophobicContact CG-CD1 4Å; E149-L162 HydrophobicContact CG-CG 3.76Å; E149-L162 PolarHBondContact OE1-N 3.43Å
150A98.7Very high98.4Very high0 Ų035.4 Ų35.40%019%0.187CC..Hα-helixtrans-68.3-41.9177.500000112C126 A147 L148 L152 K153 L154 P247C126-A150 HydrophobicContact CB-CB 4.32Å; C126-A150 WeakPolarHBondContact O-CA 3.46Å; C126-A150 VanDerWaalsContact O-CB 3.3Å; C126-A150 WeakPolarHBondContact O-CB 3.22Å; A147-A150 PolarHBondContact O-N 2.95Å; L148-A150 PolarHBondContact O-N 3.37Å; A150-L152 VanDerWaalsContact C-N 3.31Å; A150-L152 PolarHBondContact O-N 2.86Å; A150-K153 PolarHBondContact O-N 3.36Å; A150-L154 WeakPolarHBondContact O-CB 3.32Å; A150-L154 VanDerWaalsContact O-CG 3.31Å; A150-L154 WeakPolarHBondContact O-CG 3.07Å; A150-L154 PolarHBondContact O-N 2.77Å; A150-P247 HydrophobicContact CB-CB 4.12Å; A150-P247 VanDerWaalsContact CB-CD 3.42Å; A150-P247 HydrophobicContact CB-CG 3.53Å
151Q98.7Very high98.4Very high24 Ų2437 Ų3711%0.11220%0.197CC..Hα-helixtrans-63.9-37.7174.5-62.3-57.1-47.800112A147 L148 L154 K155 K245 P329 I331A147-Q151 PolarHBondContact O-N 3.36Å; L148-Q151 PolarHBondContact O-N 2.65Å; L148-Q151 VanDerWaalsContact O-N 3.16Å; Q151-L154 PolarHBondContact O-N 3.31Å; Q151-K155 VanDerWaalsContact O-CB 3.27Å; Q151-K155 WeakPolarHBondContact O-CB 3.39Å; Q151-K155 PolarHBondContact O-N 2.77Å; Q151-K245 PolarHBondContact NE2-O 3.19Å; Q151-P329 HydrophobicContact CG-CG 4.3Å; Q151-P329 VanDerWaalsContact CG-O 3.27Å; Q151-P329 WeakPolarHBondContact CG-O 3.49Å; Q151-I331 HydrophobicContact CB-CD1 4.49Å; Q151-I331 HydrophobicContact CB-CG1 4.02Å
152L98.6Very high98.4Very high10 Ų1037.1 Ų37.15%0.05220%0.198CC..Hα-helixtrans-59.5-47.2173.5-177.867.7000111.3L148 E149 A150 K155 T156 V160 L162 A222 I331L148-L152 PolarHBondContact O-N 2.93Å; E149-L152 WeakPolarHBondContact O-CB 3.4Å; E149-L152 PolarHBondContact O-N 2.81Å; A150-L152 VanDerWaalsContact C-N 3.31Å; A150-L152 PolarHBondContact O-N 2.86Å; L152-K155 PolarHBondContact O-N 3.01Å; L152-T156 HydrophobicContact CD1-CG2 3.76Å; L152-T156 WeakPolarHBondContact O-CB 3.36Å; L152-T156 PolarHBondContact O-N 3.34Å; L152-T156 PolarHBondContact O-OG1 3.44Å; L152-V160 HydrophobicContact CD2-CB 3.81Å; L152-V160 HydrophobicContact CD2-CG2 4.18Å; L152-L162 HydrophobicContact CD2-CD2 4.25Å; L152-A222 HydrophobicContact CD1-CB 4.15Å; L152-A222 HydrophobicContact CD2-CB 4.3Å; L152-I331 HydrophobicContact CB-CD1 3.83Å; L152-I331 HydrophobicContact CD1-CD1 3.8Å; L152-I331 HydrophobicContact CG-CD1 4.46Å
153K98.5Very high98.4Very high59 Ų5936 Ų3626%0.25719%0.193SC..Hα-helixtrans-60.9-46.2175.7177.661.8168.4-171.30111.7G125 C126 E149 A150 K155 G157 K158 L159G125-K153 WeakPolarHBondContact O-CE 3.36Å; G125-K153 WeakPolarHBondContact O-CG 3.47Å; C126-K153 HydrophobicContact CB-CG 4.34Å; E149-K153 PolarHBondContact O-N 2.83Å; A150-K153 PolarHBondContact O-N 3.36Å; K153-K155 VanDerWaalsContact C-N 3.33Å; K153-K155 PolarHBondContact O-N 2.83Å; K153-G157 WeakPolarHBondContact CD-O 3.4Å; K153-G157 WeakPolarHBondContact CE-O 3.23Å; K153-G157 PolarHBondContact NZ-O 3.35Å; K153-G157 WeakPolarHBondContact O-CA 3.41Å; K153-G157 PolarHBondContact O-N 3.15Å; K153-K158 WeakPolarHBondContact CA-O 3.41Å; K153-L159 HydrophobicContact CB-CD1 4.07Å; K153-L159 HydrophobicContact CD-CB 4.02Å
154L97.7Very high98.4Very high80 Ų8036 Ų3642%0.41919%0.193SC..Hα-helixtrans-63-38179.8-74.5172.4000112.6W121 A150 Q151 K245W121-L154 HydrophobicContact CH2-CD1 4.42Å; W121-L154 HydrophobicContact CH2-CD2 4.14Å; W121-L154 HydrophobicContact CZ3-CD1 4.41Å; W121-L154 HydrophobicContact CZ3-CD2 3.74Å; W121-L154 HydrophobicContact CZ3-CG 4.49Å; A150-L154 WeakPolarHBondContact O-CB 3.32Å; A150-L154 VanDerWaalsContact O-CG 3.31Å; A150-L154 WeakPolarHBondContact O-CG 3.07Å; A150-L154 PolarHBondContact O-N 2.77Å; Q151-L154 PolarHBondContact O-N 3.31Å; L154-K245 WeakPolarHBondContact CD1-O 3.37Å
155K97.6Very high98.4Very high148 Ų14836 Ų3664%0.64319%0.193SC*.Hα-helixtrans-81.4-38.6-177.5-171.268.4173.3-159.70113.3Q151 L152 K153 I331Q151-K155 VanDerWaalsContact O-CB 3.27Å; Q151-K155 WeakPolarHBondContact O-CB 3.39Å; Q151-K155 PolarHBondContact O-N 2.77Å; L152-K155 PolarHBondContact O-N 3.01Å; K153-K155 VanDerWaalsContact C-N 3.33Å; K153-K155 PolarHBondContact O-N 2.83Å; K155-I331 HydrophobicContact CG-CB 4.39Å; K155-I331 HydrophobicContact CG-CG2 4.34Å
156T97.5Very high98.4Very high70 Ų7035.8 Ų35.843%0.42919%0.192SC..Hα-helixtrans-113.6-12.5-168.271.70000114.2L152 K158L152-T156 HydrophobicContact CD1-CG2 3.76Å; L152-T156 WeakPolarHBondContact O-CB 3.36Å; L152-T156 PolarHBondContact O-N 3.34Å; L152-T156 PolarHBondContact O-OG1 3.44Å; T156-K158 PolarHBondContact O-N 2.69Å; T156-K158 PolarHBondContact OG1-N 3.33Å
157G97.8Very high98.4Very high47 Ų4735.6 Ų35.649%0.48519%0.19SC..SBendtrans75.5-3.3-171.400000114.5K153K153-G157 WeakPolarHBondContact CD-O 3.4Å; K153-G157 WeakPolarHBondContact CE-O 3.23Å; K153-G157 PolarHBondContact NZ-O 3.35Å; K153-G157 WeakPolarHBondContact O-CA 3.41Å; K153-G157 PolarHBondContact O-N 3.15Å
158K97.1Very high98.4Very high148 Ų14835.6 Ų35.664%0.64319%0.19SC*.  trans-107.7127.6-178.1-61.7-178.8-176.5178.40111.1K153 T156 V160K153-K158 WeakPolarHBondContact CA-O 3.41Å; T156-K158 PolarHBondContact O-N 2.69Å; T156-K158 PolarHBondContact OG1-N 3.33Å; K158-V160 HydrophobicContact CB-CG2 4.44Å
159L98.2Very high98.4Very high67 Ų6736 Ų3635%0.35119%0.192SC..  trans-93.5115.8173.7-173.568.5000107.7T128 K153T128-L159 HydrophobicContact CG2-CD1 3.77Å; T128-L159 HydrophobicContact CG2-CD2 4.16Å; T128-L159 HydrophobicContact CG2-CG 3.82Å; K153-L159 HydrophobicContact CB-CD1 4.07Å; K153-L159 HydrophobicContact CD-CB 4.02Å
160V98.4Very high98.4Very high53 Ų5336.4 Ų36.432%0.32120%0.195SC..  trans-129.4132-179.8-178.70000107.6E149 L152 K158 A221E149-V160 WeakPolarHBondContact CG-O 3.46Å; L152-V160 HydrophobicContact CD2-CB 3.81Å; L152-V160 HydrophobicContact CD2-CG2 4.18Å; K158-V160 HydrophobicContact CB-CG2 4.44Å; V160-A221 HydrophobicContact CG1-CB 4.27Å
161S98.7Very high98.4Very high32 Ų3236.4 Ų36.422%0.22420%0.195CC..  trans-71.6130.9172.3-86.20000111.1T128 K131 E149 S200 D201T128-S161 WeakPolarHBondContact CB-OG 3.32Å; T128-S161 WeakPolarHBondContact CG2-OG 3.29Å; K131-S161 PolarHBondContact NZ-OG 3.32Å; K131-S161 VanDerWaalsContact NZ-OG 3.11Å; E149-S161 WeakPolarHBondContact OE1-CA 3.18Å; S161-S200 WeakPolarHBondContact O-CA 3.46Å; S161-D201 PolarHBondContact O-N 3.27Å
162L98.9Very high98.2Very high3 Ų337.9 Ų37.92%0.01621%0.206CC..BIsolated β-bridgetrans-101.6150.9-177.5-59.1177.8000111V145 L148 E149 L152 A164 I198 A221 A222V145-L162 HydrophobicContact CB-CB 4.06Å; V145-L162 HydrophobicContact CG1-CB 4.18Å; L148-L162 HydrophobicContact CB-CD1 3.93Å; L148-L162 HydrophobicContact CD2-CD1 3.76Å; L148-L162 HydrophobicContact CG-CD1 3.67Å; E149-L162 HydrophobicContact CG-CB 4.11Å; E149-L162 HydrophobicContact CG-CD1 4Å; E149-L162 HydrophobicContact CG-CG 3.76Å; E149-L162 PolarHBondContact OE1-N 3.43Å; L152-L162 HydrophobicContact CD2-CD2 4.25Å; L162-A164 PolarHBondContact O-N 3.01Å; L162-I198 HydrophobicContact CB-CD1 4.47Å; L162-I198 HydrophobicContact CD1-CG2 4.12Å; L162-I198 HydrophobicContact CD2-CG2 4.31Å; L162-A221 HydrophobicContact CD2-CB 3.6Å; L162-A222 HydrophobicContact CD1-CB 3.78Å; L162-A222 HydrophobicContact CD2-CB 3.85Å; L162-A222 HydrophobicContact CG-CB 4.48Å
163S98.9Very high97.8Very high0 Ų045.9 Ų45.90%024%0.243CC..  trans-76.8107.9-170.5-179.90000112.8Q165 N166 D199 Y204S163-Q165 PolarHBondContact O-N 3.45Å; S163-Q165 PolarHBondContact OG-N 3.17Å; S163-N166 PolarHBondContact O-N 2.87Å; S163-N166 WeakPolarHBondContact OG-CB 3.4Å; S163-N166 PolarHBondContact OG-N 3.31Å; S163-D199 WeakPolarHBondContact CB-O 3.36Å; S163-D199 PolarHBondContact N-O 2.79Å; S163-Y204 WeakPolarHBondContact CB-O 3.35Å; S163-Y204 WeakPolarHBondContact OG-CB 3.39Å; S163-Y204 PolarHBondContact OG-O 2.69Å
164A98.8Very high97.7Very high1 Ų150.6 Ų50.61%0.00826%0.264CS..Hα-helixtrans-64.9-30.8166.700000111.6A141 F142 V145 L162 L167 V168 Y206A141-A164 HydrophobicContact CB-CB 4.15Å; F142-A164 HydrophobicContact CD1-CB 3.94Å; F142-A164 HydrophobicContact CD2-CB 4.37Å; F142-A164 HydrophobicContact CE1-CB 3.73Å; F142-A164 HydrophobicContact CE2-CB 4.18Å; F142-A164 HydrophobicContact CG-CB 4.26Å; F142-A164 HydrophobicContact CZ-CB 3.86Å; V145-A164 HydrophobicContact CG2-CB 4.42Å; L162-A164 PolarHBondContact O-N 3.01Å; A164-L167 WeakPolarHBondContact O-CB 3.44Å; A164-L167 PolarHBondContact O-N 2.98Å; A164-L167 VanDerWaalsContact O-N 3.17Å; A164-V168 WeakPolarHBondContact O-CG2 3.18Å; A164-V168 PolarHBondContact O-N 2.93Å; A164-Y206 HydrophobicContact CB-CD2 4.25Å
165Q98.8Very high97.6Very high0 Ų048.4 Ų48.40%025%0.25CC..Hα-helixtrans-65.2-39.7178.6-164.260.448.200112.1S163 L167 V168 D169 Y204 Y206 T209S163-Q165 PolarHBondContact O-N 3.45Å; S163-Q165 PolarHBondContact OG-N 3.17Å; Q165-L167 PolarHBondContact O-N 3.42Å; Q165-V168 PolarHBondContact O-N 3.41Å; Q165-V168 VanDerWaalsContact O-N 3.14Å; Q165-D169 WeakPolarHBondContact CG-OD2 3.46Å; Q165-D169 PolarHBondContact NE2-OD1 2.92Å; Q165-D169 PolarHBondContact NE2-OD2 3.08Å; Q165-D169 PolarHBondContact O-N 2.93Å; Q165-Y204 HydrophobicContact CB-CD1 3.84Å; Q165-Y204 HydrophobicContact CB-CE1 3.91Å; Q165-Y204 HydrophobicContact CG-CD1 3.79Å; Q165-Y204 HydrophobicContact CG-CE1 3.41Å; Q165-Y204 VanDerWaalsContact CG-CE1 3.41Å; Q165-Y206 HydrophobicContact CB-CD2 4.31Å; Q165-Y206 VanDerWaalsContact OE1-CD2 3.29Å; Q165-T209 PolarHBondContact NE2-O 2.92Å
166N98.9Very high97.5Very high0 Ų042.7 Ų42.70%023%0.233CC..Hα-helixtrans-55.1-42.3173.3-177178.8000110.5S163 C170 Y191 I198 D199 Y204 Y215S163-N166 PolarHBondContact O-N 2.87Å; S163-N166 WeakPolarHBondContact OG-CB 3.4Å; S163-N166 PolarHBondContact OG-N 3.31Å; N166-C170 PolarHBondContact ND2-SG 3.3Å; N166-C170 WeakPolarHBondContact O-CB 3.29Å; N166-C170 PolarHBondContact O-N 3.08Å; N166-C170 PolarHBondContact O-SG 3.32Å; N166-Y191 PolarHBondContact ND2-OH 3.34Å; N166-I198 HydrophobicContact CB-CG1 4.31Å; N166-I198 WeakPolarHBondContact OD1-CG1 3.41Å; N166-D199 PolarHBondContact OD1-N 2.92Å; N166-D199 VanDerWaalsContact OD1-N 3.1Å; N166-Y204 HydrophobicContact CB-CD2 3.69Å; N166-Y204 HydrophobicContact CB-CE2 3.96Å; N166-Y204 HydrophobicContact CB-CG 4.35Å; N166-Y215 WeakPolarHBondContact OD1-CD2 3.47Å
167L98.8Very high97.5Very high0 Ų039.4 Ų39.40%021%0.213CC..Hα-helixtrans-68.2-45.3176.3-61.4178.2000112.1W140 A141 A144 V145 A164 Q165 D169 S171 A188 Y191 I192 I198W140-L167 HydrophobicContact CH2-CB 4.1Å; W140-L167 WeakPolarHBondContact CH2-O 3.22Å; W140-L167 HydrophobicContact CZ3-CB 4.05Å; A141-L167 HydrophobicContact CB-CB 3.93Å; A141-L167 HydrophobicContact CB-CD1 4.08Å; A144-L167 HydrophobicContact CB-CD1 4.08Å; V145-L167 HydrophobicContact CG1-CD1 3.59Å; V145-L167 HydrophobicContact CG1-CG 4.41Å; A164-L167 WeakPolarHBondContact O-CB 3.44Å; A164-L167 PolarHBondContact O-N 2.98Å; A164-L167 VanDerWaalsContact O-N 3.17Å; Q165-L167 PolarHBondContact O-N 3.42Å; L167-D169 VanDerWaalsContact C-N 3.3Å; L167-D169 PolarHBondContact O-N 2.85Å; L167-S171 WeakPolarHBondContact O-CA 3.46Å; L167-S171 WeakPolarHBondContact O-CB 3.39Å; L167-S171 PolarHBondContact O-N 3.02Å; L167-A188 HydrophobicContact CD1-CB 4.04Å; L167-A188 HydrophobicContact CD2-CB 4.22Å; L167-Y191 HydrophobicContact CD2-CD1 3.56Å; L167-Y191 HydrophobicContact CD2-CE1 3.91Å; L167-I192 HydrophobicContact CD2-CD1 4.06Å; L167-I192 HydrophobicContact CD2-CG1 3.89Å; L167-I198 HydrophobicContact CD1-CD1 4.24Å; L167-I198 HydrophobicContact CD2-CD1 3.89Å; L167-I198 HydrophobicContact CG-CD1 3.88Å
168V98.6Very high97.4Very high1 Ų142.7 Ų42.71%0.00621%0.214CC..Hα-helixtrans-55-47178.5169.20000111.1A138 W140 A141 A164 Q165 G179 Y206 D210A138-V168 HydrophobicContact CB-CG2 3.69Å; W140-V168 HydrophobicContact CZ2-CG2 4.45Å; A141-V168 HydrophobicContact CB-CG2 4.23Å; A164-V168 WeakPolarHBondContact O-CG2 3.18Å; A164-V168 PolarHBondContact O-N 2.93Å; Q165-V168 PolarHBondContact O-N 3.41Å; Q165-V168 VanDerWaalsContact O-N 3.14Å; V168-G179 WeakPolarHBondContact O-CA 3.03Å; V168-Y206 HydrophobicContact CG2-CE2 4.41Å; V168-D210 WeakPolarHBondContact CG1-OD1 3.37Å
169D98.7Very high97.4Very high8 Ų835.7 Ų35.74%0.04318%0.184CC..Hα-helixtrans-86.1-28.2-172.4-61.8-21.2000113.6Q165 L167 T172 Y204 Q211 C213Q165-D169 WeakPolarHBondContact CG-OD2 3.46Å; Q165-D169 PolarHBondContact NE2-OD1 2.92Å; Q165-D169 PolarHBondContact NE2-OD2 3.08Å; Q165-D169 PolarHBondContact O-N 2.93Å; L167-D169 VanDerWaalsContact C-N 3.3Å; L167-D169 PolarHBondContact O-N 2.85Å; D169-T172 WeakPolarHBondContact O-CG2 3.47Å; D169-Y204 VanDerWaalsContact CB-OH 3.26Å; D169-Y204 WeakPolarHBondContact CB-OH 3.49Å; D169-Y204 WeakPolarHBondContact OD2-CE1 3.35Å; D169-Y204 PolarHBondContact OD2-OH 3.41Å; D169-Q211 WeakPolarHBondContact CB-O 3.26Å; D169-Q211 PolarHBondContact OD1-N 3.47Å; D169-C213 HydrophobicContact CB-CB 4.5Å
170C98.6Very high97.3Very high14 Ų1433.5 Ų33.510%0.09517%0.174CC..Hα-helixtrans-110.2-30-170.8-53.30000114.5N166 T172 Y191 C213N166-C170 PolarHBondContact ND2-SG 3.3Å; N166-C170 WeakPolarHBondContact O-CB 3.29Å; N166-C170 PolarHBondContact O-N 3.08Å; N166-C170 PolarHBondContact O-SG 3.32Å; C170-T172 PolarHBondContact O-N 3.48Å; C170-Y191 HydrophobicContact CB-CE1 4.16Å; C170-Y191 HydrophobicContact CB-CE2 3.67Å; C170-Y191 VanDerWaalsContact CB-CZ 3.41Å; C170-Y191 WeakPolarHBondContact CB-OH 3.45Å; C170-C213 HydrophobicContact CB-CB 3.87Å; C170-C213 WeakPolarHBondContact CB-SG 3.32Å; C170-C213 VanDerWaalsContact SG-CA 3.51Å; C170-C213 WeakPolarHBondContact SG-CB 3.39Å; C170-C213 CovalentContact SG-SG 2.03Å; C170-C213 PolarHBondContact SG-SG 2.86Å
171S97.8Very high97.2Very high0 Ų036.1 Ų36.10%019%0.186CC..SBendtrans-8647.6-178.9-168.60000111.4L167 N177 Y191L167-S171 WeakPolarHBondContact O-CA 3.46Å; L167-S171 WeakPolarHBondContact O-CB 3.39Å; L167-S171 PolarHBondContact O-N 3.02Å; S171-N177 WeakPolarHBondContact O-CB 3.41Å; S171-N177 PolarHBondContact O-ND2 3.13Å; S171-N177 PolarHBondContact OG-ND2 2.67Å; S171-Y191 VanDerWaalsContact OG-CB 3.24Å; S171-Y191 WeakPolarHBondContact OG-CB 3.46Å
172T94.6Very high97.1Very high54 Ų5434.6 Ų34.633%0.33118%0.175SC..SBendtrans-89.8-125.6-166.158.60000113.1D169 C170 K174 Y175 G176 N177D169-T172 WeakPolarHBondContact O-CG2 3.47Å; C170-T172 PolarHBondContact O-N 3.48Å; T172-K174 VanDerWaalsContact C-N 3.33Å; T172-K174 PolarHBondContact O-N 2.82Å; T172-Y175 PolarHBondContact O-N 2.9Å; T172-G176 PolarHBondContact O-N 3.38Å; T172-N177 CarbonylContact C-O 3.24Å; T172-N177 WeakPolarHBondContact CA-O 3.42Å; T172-N177 PolarHBondContact O-N 2.9Å
173E91.6Very high97Very high179 Ų17934.5 Ų34.584%0.83618%0.175SC*.G310 helixtrans-59.6-39.5-166.8-65.2-174.2163.100113.1Y175 G176E173-Y175 PolarHBondContact O-N 3.27Å; E173-Y175 VanDerWaalsContact O-N 3.14Å; E173-G176 PolarHBondContact O-N 2.98Å
174K95.8Very high96.9Very high158 Ų15834.5 Ų34.569%0.68718%0.175SC*.G310 helixtrans-54.7-34.2177.1-178-176.8172.4-156.50112.4T172 D194T172-K174 VanDerWaalsContact C-N 3.33Å; T172-K174 PolarHBondContact O-N 2.82Å; K174-D194 IonicContact NZ-OD2 3.7Å; K174-D194 PolarHBondContact NZ-OD2 2.87Å
175Y96Very high96.9Very high33 Ų3334.5 Ų34.513%0.12917%0.174CC..G310 helixtrans-101.1-10.7-178-60.6-81.6000112.4T172 E173 R187 Q190 Y191 D194T172-Y175 PolarHBondContact O-N 2.9Å; E173-Y175 PolarHBondContact O-N 3.27Å; E173-Y175 VanDerWaalsContact O-N 3.14Å; Y175-R187 WeakPolarHBondContact O-CD 3.43Å; Y175-R187 WeakPolarHBondContact O-CG 3.44Å; Y175-R187 PolarHBondContact O-NE 2.79Å; Y175-Q190 HydrophobicContact CD1-CB 4.32Å; Y175-Q190 HydrophobicContact CD1-CG 4.35Å; Y175-Q190 HydrophobicContact CE1-CB 4.45Å; Y175-Q190 HydrophobicContact CE1-CG 4.19Å; Y175-Y191 HydrophobicContact CD2-CD2 4.21Å; Y175-Y191 HydrophobicContact CD2-CG 4.48Å; Y175-Y191 VanDerWaalsContact CE1-CA 3.45Å; Y175-Y191 AromaticContact CE2-CD2 3.59Å; Y175-Y191 HydrophobicContact CE2-CD2 3.59Å; Y175-Y191 HydrophobicContact CE2-CG 4.18Å; Y175-Y191 AromaticContact CZ-CD2 3.98Å; Y175-D194 HydrophobicContact CE1-CB 4.44Å; Y175-D194 WeakPolarHBondContact CE1-OD2 3.24Å; Y175-D194 WeakPolarHBondContact OH-CB 3.48Å; Y175-D194 PolarHBondContact OH-OD2 2.86Å
176G94.9Very high96.9Very high28 Ų2835 Ų3529%0.28918%0.178SC..THydrogen-bonded Turntrans82.114.7-17800000114.7T172 E173 R187T172-G176 PolarHBondContact O-N 3.38Å; E173-G176 PolarHBondContact O-N 2.98Å; G176-R187 PolarHBondContact O-NH1 3.17Å
177N97.3Very high96.8Very high1 Ų138 Ų381%0.00519%0.189CC..  trans-91.3159.6165.2-42.3-58.2000110.3W140 S171 T172 G183 F184 R187W140-N177 HydrophobicContact CH2-CB 3.74Å; W140-N177 HydrophobicContact CZ2-CB 3.9Å; W140-N177 HydrophobicContact CZ3-CB 4.13Å; S171-N177 WeakPolarHBondContact O-CB 3.41Å; S171-N177 PolarHBondContact O-ND2 3.13Å; S171-N177 PolarHBondContact OG-ND2 2.67Å; T172-N177 CarbonylContact C-O 3.24Å; T172-N177 WeakPolarHBondContact CA-O 3.42Å; T172-N177 PolarHBondContact O-N 2.9Å; N177-G183 WeakPolarHBondContact OD1-CA 3.45Å; N177-F184 PolarHBondContact OD1-N 2.89Å; N177-R187 WeakPolarHBondContact OD1-CB 3.26Å; N177-R187 VanDerWaalsContact OD1-CD 3.32Å; N177-R187 WeakPolarHBondContact OD1-CD 3.03Å
178K97Very high96.8Very high117 Ų11738 Ų3851%0.50919%0.189SC..  trans-129.937.6-174.9-59.1-164.8175.7-164.70111.3C180 N181 G182K178-C180 PolarHBondContact O-N 3.42Å; K178-N181 HydrophobicContact CB-CB 3.9Å; K178-N181 WeakPolarHBondContact O-CA 3.2Å; K178-N181 WeakPolarHBondContact O-CB 3.08Å; K178-N181 PolarHBondContact O-N 3.28Å; K178-G182 PolarHBondContact N-O 2.04Å
179G96.4Very high96.8Very high1 Ų138 Ų381%0.0119%0.189CC..G310 helixtrans54.5-120.3178.700000112.6W140 V168 N181 G182 D210W140-G179 PolarHBondContact NE1-O 2.88Å; W140-G179 VanDerWaalsContact NE1-O 3.09Å; V168-G179 WeakPolarHBondContact O-CA 3.03Å; G179-N181 PolarHBondContact O-N 2.84Å; G179-G182 PolarHBondContact O-N 3.32Å; G179-G182 VanDerWaalsContact O-N 3.16Å; G179-D210 WeakPolarHBondContact CA-OD1 3.48Å
180C96.6Very high96.8Very high20 Ų2040.7 Ų40.714%0.13520%0.201CC..G310 helixtrans-67.7-16.5176.6-69.10000114.3C136 G137 K178 G182 D210C136-C180 HydrophobicContact CB-CB 3.92Å; C136-C180 WeakPolarHBondContact CB-SG 3.2Å; C136-C180 WeakPolarHBondContact SG-CA 3.16Å; C136-C180 WeakPolarHBondContact SG-CB 3.3Å; C136-C180 CovalentContact SG-SG 2.04Å; C136-C180 PolarHBondContact SG-SG 3.17Å; G137-C180 WeakPolarHBondContact CA-O 3.43Å; G137-C180 PolarHBondContact N-O 3.45Å; K178-C180 PolarHBondContact O-N 3.42Å; C180-G182 PolarHBondContact O-N 3.4Å; C180-D210 PolarHBondContact N-OD1 2.75Å
181N95.3Very high96.8Very high109 Ų10940.4 Ų40.458%0.58320%0.198SC*.G310 helixtrans-88.616.1172.9-59.3-71.4000112.8K178 G179K178-N181 HydrophobicContact CB-CB 3.9Å; K178-N181 WeakPolarHBondContact O-CA 3.2Å; K178-N181 WeakPolarHBondContact O-CB 3.08Å; K178-N181 PolarHBondContact O-N 3.28Å; G179-N181 PolarHBondContact O-N 2.84Å
182G96.1Very high96.9Very high0 Ų040.4 Ų40.40%020%0.198CC..  trans98.6165.7167.900000115.8S94 R96 K178 G179 C180S94-G182 VanDerWaalsContact CB-CA 3.46Å; S94-G182 CarbonylContact O-C 3.56Å; S94-G182 WeakPolarHBondContact O-CA 3.44Å; R96-G182 VanDerWaalsContact CD-C 3.41Å; R96-G182 WeakPolarHBondContact CD-O 3.5Å; K178-G182 PolarHBondContact N-O 2.04Å; G179-G182 PolarHBondContact O-N 3.32Å; G179-G182 VanDerWaalsContact O-N 3.16Å; C180-G182 PolarHBondContact O-N 3.4Å
183G97.4Very high97.1Very high0 Ų039.8 Ų39.80%019%0.193CC..BIsolated β-bridgetrans-169.9-167-173.600000111.6S94 R96 W140 N177S94-G183 PolarHBondContact O-N 2.97Å; S94-G183 VanDerWaalsContact O-N 3.15Å; R96-G183 PolarHBondContact N-O 3.09Å; W140-G183 WeakPolarHBondContact CB-O 3.3Å; W140-G183 VanDerWaalsContact CG-C 3.45Å; N177-G183 WeakPolarHBondContact OD1-CA 3.45Å
184F98Very high97.4Very high1 Ų135.1 Ų35.10%0.00417%0.173CC..  trans-144.3145.8-179.1-153-109.4000111.7L95 R96 V97 P98 N177 T186 R187 A188 F325L95-F184 HydrophobicContact CD1-CD2 3.55Å; L95-F184 HydrophobicContact CD1-CE2 3.89Å; L95-F184 HydrophobicContact CD2-CD2 4.44Å; L95-F184 HydrophobicContact CD2-CE2 4Å; L95-F184 HydrophobicContact CG-CD2 3.79Å; L95-F184 HydrophobicContact CG-CE2 3.84Å; R96-F184 WeakPolarHBondContact O-CD2 3.34Å; V97-F184 HydrophobicContact CB-CE2 4.38Å; V97-F184 HydrophobicContact CG1-CE2 4.43Å; V97-F184 HydrophobicContact CG2-CE2 4.25Å; P98-F184 VanDerWaalsContact CD-CE1 3.41Å; P98-F184 VanDerWaalsContact CD-CZ 3.41Å; P98-F184 HydrophobicContact CG-CD1 3.81Å; P98-F184 HydrophobicContact CG-CE1 3.62Å; P98-F184 HydrophobicContact CG-CG 4.37Å; P98-F184 HydrophobicContact CG-CZ 4.05Å; N177-F184 PolarHBondContact OD1-N 2.89Å; F184-T186 WeakPolarHBondContact CD1-OG1 3.5Å; F184-T186 PolarHBondContact O-N 3.26Å; F184-R187 HydrophobicContact CB-CG 4.38Å; F184-R187 WeakPolarHBondContact O-CB 3.22Å; F184-R187 PolarHBondContact O-N 3.38Å; F184-A188 PolarHBondContact O-N 3.21Å; F184-F325 HydrophobicContact CZ-CB 3.81Å; F184-F325 AromaticContact CZ-CD1 3.88Å; F184-F325 HydrophobicContact CZ-CD1 3.88Å; F184-F325 AromaticContact CZ-CG 4Å; F184-F325 HydrophobicContact CZ-CG 4Å
185M98.5Very high97.6Very high0 Ų029.7 Ų29.70%015%0.152CC..Hα-helixtrans-64-40.9-169.6-59.279.374.200112.9L95 W140 A144 R187 A188 F189L95-M185 HydrophobicContact CD1-CE 4.33Å; L95-M185 HydrophobicContact CD1-SD 3.46Å; L95-M185 WeakPolarHBondContact CD1-SD 3.45Å; W140-M185 HydrophobicContact CB-SD 4.38Å; W140-M185 WeakPolarHBondContact O-CG 3.43Å; A144-M185 HydrophobicContact CB-CB 4.24Å; A144-M185 HydrophobicContact CB-CG 4.38Å; M185-R187 VanDerWaalsContact C-N 3.34Å; M185-R187 PolarHBondContact O-N 2.99Å; M185-A188 CarbonylContact O-C 3.57Å; M185-A188 WeakPolarHBondContact O-CA 3.46Å; M185-A188 VanDerWaalsContact O-CB 3.26Å; M185-A188 WeakPolarHBondContact O-CB 3.2Å; M185-A188 PolarHBondContact O-N 3.01Å; M185-A188 VanDerWaalsContact O-N 3.1Å; M185-F189 HydrophobicContact CB-CE2 4.02Å; M185-F189 HydrophobicContact CB-CZ 4.25Å; M185-F189 VanDerWaalsContact O-CD2 3.29Å; M185-F189 WeakPolarHBondContact O-CD2 3.43Å; M185-F189 WeakPolarHBondContact O-CG 3.48Å; M185-F189 PolarHBondContact O-N 2.84Å
186T97.9Very high97.7Very high12 Ų1233 Ų337%0.07417%0.172CC..Hα-helixtrans-66.6-34.4179.956.40000113.1F184 A188 F189 Q190 Y227 E229F184-T186 WeakPolarHBondContact CD1-OG1 3.5Å; F184-T186 PolarHBondContact O-N 3.26Å; T186-A188 VanDerWaalsContact C-N 3.3Å; T186-A188 PolarHBondContact O-N 3.14Å; T186-F189 PolarHBondContact O-N 2.65Å; T186-Q190 PolarHBondContact O-N 2.87Å; T186-Y227 HydrophobicContact CG2-CD2 3.82Å; T186-Y227 HydrophobicContact CG2-CE2 3.74Å; T186-E229 HydrophobicContact CG2-CG 3.86Å
187R97.8Very high97.8Very high63 Ų6331.7 Ų31.724%0.23816%0.158CC..Hα-helixtrans-64-39.1171.9-66.7170.4172.1169.79.9111.3Y175 G176 N177 F184 M185 Q190 Y191Y175-R187 WeakPolarHBondContact O-CD 3.43Å; Y175-R187 WeakPolarHBondContact O-CG 3.44Å; Y175-R187 PolarHBondContact O-NE 2.79Å; G176-R187 PolarHBondContact O-NH1 3.17Å; N177-R187 WeakPolarHBondContact OD1-CB 3.26Å; N177-R187 VanDerWaalsContact OD1-CD 3.32Å; N177-R187 WeakPolarHBondContact OD1-CD 3.03Å; F184-R187 HydrophobicContact CB-CG 4.38Å; F184-R187 WeakPolarHBondContact O-CB 3.22Å; F184-R187 PolarHBondContact O-N 3.38Å; M185-R187 VanDerWaalsContact C-N 3.34Å; M185-R187 PolarHBondContact O-N 2.99Å; R187-Q190 PolarHBondContact O-N 3.33Å; R187-Y191 PolarHBondContact O-N 2.99Å
188A98.6Very high97.9Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-65.3-44.9174.500000111.4W140 A144 L167 F184 M185 T186 Q190 Y191 I192W140-A188 HydrophobicContact CE3-CB 3.98Å; W140-A188 HydrophobicContact CZ3-CB 3.75Å; A144-A188 HydrophobicContact CB-CB 3.86Å; L167-A188 HydrophobicContact CD1-CB 4.04Å; L167-A188 HydrophobicContact CD2-CB 4.22Å; F184-A188 PolarHBondContact O-N 3.21Å; M185-A188 CarbonylContact O-C 3.57Å; M185-A188 WeakPolarHBondContact O-CA 3.46Å; M185-A188 VanDerWaalsContact O-CB 3.26Å; M185-A188 WeakPolarHBondContact O-CB 3.2Å; M185-A188 PolarHBondContact O-N 3.01Å; M185-A188 VanDerWaalsContact O-N 3.1Å; T186-A188 VanDerWaalsContact C-N 3.3Å; T186-A188 PolarHBondContact O-N 3.14Å; A188-Q190 VanDerWaalsContact C-N 3.34Å; A188-Q190 PolarHBondContact O-N 3.17Å; A188-Y191 WeakPolarHBondContact O-CB 3.43Å; A188-Y191 PolarHBondContact O-N 3.28Å; A188-I192 WeakPolarHBondContact O-CG1 3.17Å; A188-I192 PolarHBondContact O-N 3.16Å; A188-I192 VanDerWaalsContact O-N 3.07Å
189F98.8Very high98Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-60.2-42.9174.5-59.5-39.1000112A144 A147 M185 T186 Y191 I192 I193 Y227 P329A144-F189 HydrophobicContact CB-CD1 4.23Å; A144-F189 HydrophobicContact CB-CE1 3.64Å; A144-F189 HydrophobicContact CB-CZ 4.04Å; A144-F189 WeakPolarHBondContact O-CE1 3.46Å; A147-F189 HydrophobicContact CB-CZ 4.21Å; M185-F189 HydrophobicContact CB-CE2 4.02Å; M185-F189 HydrophobicContact CB-CZ 4.25Å; M185-F189 VanDerWaalsContact O-CD2 3.29Å; M185-F189 WeakPolarHBondContact O-CD2 3.43Å; M185-F189 WeakPolarHBondContact O-CG 3.48Å; M185-F189 PolarHBondContact O-N 2.84Å; T186-F189 PolarHBondContact O-N 2.65Å; F189-Y191 VanDerWaalsContact C-N 3.32Å; F189-Y191 PolarHBondContact O-N 3.4Å; F189-I192 PolarHBondContact O-N 2.91Å; F189-I192 VanDerWaalsContact O-N 3.15Å; F189-I193 VanDerWaalsContact O-CG1 3.32Å; F189-I193 WeakPolarHBondContact O-CG1 3.47Å; F189-I193 PolarHBondContact O-N 2.86Å; F189-Y227 HydrophobicContact CB-CD1 3.65Å; F189-Y227 HydrophobicContact CB-CE1 4.48Å; F189-Y227 HydrophobicContact CB-CG 3.99Å; F189-Y227 HydrophobicContact CD2-CG 4.1Å; F189-Y227 HydrophobicContact CG-CG 4.5Å; F189-P329 HydrophobicContact CD1-CB 3.76Å; F189-P329 HydrophobicContact CD1-CG 4.07Å; F189-P329 HydrophobicContact CE1-CB 3.82Å; F189-P329 HydrophobicContact CE1-CG 3.6Å; F189-P329 HydrophobicContact CG-CB 4.14Å; F189-P329 HydrophobicContact CZ-CB 4.27Å; F189-P329 HydrophobicContact CZ-CG 3.93Å
190Q98.6Very high98.1Very high64 Ų6427.1 Ų27.130%0.29914%0.141SC..Hα-helixtrans-61.5-39.8176-169.660.65600112.1Y175 T186 R187 A188 I193 D194 Y227Y175-Q190 HydrophobicContact CD1-CB 4.32Å; Y175-Q190 HydrophobicContact CD1-CG 4.35Å; Y175-Q190 HydrophobicContact CE1-CB 4.45Å; Y175-Q190 HydrophobicContact CE1-CG 4.19Å; T186-Q190 PolarHBondContact O-N 2.87Å; R187-Q190 PolarHBondContact O-N 3.33Å; A188-Q190 VanDerWaalsContact C-N 3.34Å; A188-Q190 PolarHBondContact O-N 3.17Å; Q190-I193 PolarHBondContact O-N 3.12Å; Q190-D194 PolarHBondContact NE2-OD1 2.88Å; Q190-D194 VanDerWaalsContact O-CG 3.31Å; Q190-D194 PolarHBondContact O-N 2.88Å; Q190-Y227 HydrophobicContact CB-CE1 4.21Å
191Y98.8Very high98.2Very high8 Ų828.1 Ų28.13%0.03114%0.144CC..Hα-helixtrans-58.6-47172161.2-100.2000111.9N166 L167 C170 S171 Y175 R187 A188 F189 I193 D194 N195N166-Y191 PolarHBondContact ND2-OH 3.34Å; L167-Y191 HydrophobicContact CD2-CD1 3.56Å; L167-Y191 HydrophobicContact CD2-CE1 3.91Å; C170-Y191 HydrophobicContact CB-CE1 4.16Å; C170-Y191 HydrophobicContact CB-CE2 3.67Å; C170-Y191 VanDerWaalsContact CB-CZ 3.41Å; C170-Y191 WeakPolarHBondContact CB-OH 3.45Å; S171-Y191 VanDerWaalsContact OG-CB 3.24Å; S171-Y191 WeakPolarHBondContact OG-CB 3.46Å; Y175-Y191 HydrophobicContact CD2-CD2 4.21Å; Y175-Y191 HydrophobicContact CD2-CG 4.48Å; Y175-Y191 VanDerWaalsContact CE1-CA 3.45Å; Y175-Y191 AromaticContact CE2-CD2 3.59Å; Y175-Y191 HydrophobicContact CE2-CD2 3.59Å; Y175-Y191 HydrophobicContact CE2-CG 4.18Å; Y175-Y191 AromaticContact CZ-CD2 3.98Å; R187-Y191 PolarHBondContact O-N 2.99Å; A188-Y191 WeakPolarHBondContact O-CB 3.43Å; A188-Y191 PolarHBondContact O-N 3.28Å; F189-Y191 VanDerWaalsContact C-N 3.32Å; F189-Y191 PolarHBondContact O-N 3.4Å; Y191-I193 VanDerWaalsContact C-N 3.26Å; Y191-I193 PolarHBondContact O-N 3.22Å; Y191-D194 PolarHBondContact O-N 3.31Å; Y191-N195 HydrophobicContact CD2-CB 4.14Å; Y191-N195 HydrophobicContact CE1-CB 4.38Å; Y191-N195 HydrophobicContact CE2-CB 3.7Å; Y191-N195 WeakPolarHBondContact O-CB 3.35Å; Y191-N195 PolarHBondContact O-N 3.41Å; Y191-N195 PolarHBondContact OH-ND2 3.01Å
192I98.8Very high98.4Very high0 Ų027.3 Ų27.30%015%0.153CC..Hα-helixtrans-62.6-37.4-178.6-58.9168.1000111L148 L167 A188 F189 N196 G197 I198 C224L148-I192 HydrophobicContact CD2-CD1 3.64Å; L148-I192 HydrophobicContact CD2-CG2 4.16Å; L167-I192 HydrophobicContact CD2-CD1 4.06Å; L167-I192 HydrophobicContact CD2-CG1 3.89Å; A188-I192 WeakPolarHBondContact O-CG1 3.17Å; A188-I192 PolarHBondContact O-N 3.16Å; A188-I192 VanDerWaalsContact O-N 3.07Å; F189-I192 PolarHBondContact O-N 2.91Å; F189-I192 VanDerWaalsContact O-N 3.15Å; I192-N196 PolarHBondContact O-N 2.97Å; I192-N196 VanDerWaalsContact O-N 3.13Å; I192-G197 PolarHBondContact O-N 2.9Å; I192-I198 HydrophobicContact CD1-CB 4.4Å; I192-I198 HydrophobicContact CD1-CD1 3.9Å; I192-I198 HydrophobicContact CD1-CG2 4.47Å; I192-I198 HydrophobicContact CG1-CB 4.19Å; I192-I198 HydrophobicContact CG1-CD1 4.25Å; I192-I198 HydrophobicContact CG2-CB 4.15Å; I192-I198 HydrophobicContact CG2-CG2 4.18Å; I192-C224 HydrophobicContact CB-CB 3.9Å; I192-C224 HydrophobicContact CG2-CB 3.5Å
193I98.8Very high98.5Very high42 Ų4229.3 Ų29.322%0.21517%0.167CC..Hα-helixtrans-61.5-56.7174.4-65.5162.8000110F189 Q190 Y191 N195 N196 C224 Y227F189-I193 VanDerWaalsContact O-CG1 3.32Å; F189-I193 WeakPolarHBondContact O-CG1 3.47Å; F189-I193 PolarHBondContact O-N 2.86Å; Q190-I193 PolarHBondContact O-N 3.12Å; Y191-I193 VanDerWaalsContact C-N 3.26Å; Y191-I193 PolarHBondContact O-N 3.22Å; I193-N195 VanDerWaalsContact C-N 3.31Å; I193-N195 PolarHBondContact O-N 3.16Å; I193-N196 PolarHBondContact O-N 2.76Å; I193-N196 VanDerWaalsContact O-N 3.08Å; I193-C224 WeakPolarHBondContact CA-O 3.4Å; I193-C224 HydrophobicContact CG1-CB 3.91Å; I193-C224 VanDerWaalsContact CG1-O 3.29Å; I193-C224 WeakPolarHBondContact CG1-O 3.44Å; I193-Y227 HydrophobicContact CD1-CD1 3.96Å; I193-Y227 HydrophobicContact CD1-CE1 4.41Å
194D98.7Very high98.6Very high80 Ų8029.8 Ų29.843%0.42817%0.169SC..Hα-helixtrans-63-37.3-177.6-70.55.3000112.9K174 Y175 Q190 Y191 N196K174-D194 IonicContact NZ-OD2 3.7Å; K174-D194 PolarHBondContact NZ-OD2 2.87Å; Y175-D194 HydrophobicContact CE1-CB 4.44Å; Y175-D194 WeakPolarHBondContact CE1-OD2 3.24Å; Y175-D194 WeakPolarHBondContact OH-CB 3.48Å; Y175-D194 PolarHBondContact OH-OD2 2.86Å; Q190-D194 PolarHBondContact NE2-OD1 2.88Å; Q190-D194 VanDerWaalsContact O-CG 3.31Å; Q190-D194 PolarHBondContact O-N 2.88Å; Y191-D194 PolarHBondContact O-N 3.31Å; D194-N196 PolarHBondContact O-N 3.11Å
195N98.6Very high98.6Very high44 Ų4432.3 Ų32.324%0.23519%0.185CC..THydrogen-bonded Turntrans-76.9-9.4179.7-169.366.1000112.3Y191 I193 G197 Y215Y191-N195 HydrophobicContact CD2-CB 4.14Å; Y191-N195 HydrophobicContact CE1-CB 4.38Å; Y191-N195 HydrophobicContact CE2-CB 3.7Å; Y191-N195 WeakPolarHBondContact O-CB 3.35Å; Y191-N195 PolarHBondContact O-N 3.41Å; Y191-N195 PolarHBondContact OH-ND2 3.01Å; I193-N195 VanDerWaalsContact C-N 3.31Å; I193-N195 PolarHBondContact O-N 3.16Å; N195-G197 PolarHBondContact ND2-O 2.92Å; N195-G197 PolarHBondContact O-N 3.21Å; N195-Y215 VanDerWaalsContact ND2-CD1 3.29Å; N195-Y215 WeakPolarHBondContact ND2-CD1 3.31Å; N195-Y215 WeakPolarHBondContact ND2-CE1 3.39Å; N195-Y215 WeakPolarHBondContact ND2-CE2 3.39Å
196N98.4Very high98.6Very high104 Ų10434.3 Ų34.356%0.55619%0.193SC*.THydrogen-bonded Turntrans54.337.6-175.1-168.232.4000112.7I192 I193 D194 R220I192-N196 PolarHBondContact O-N 2.97Å; I192-N196 VanDerWaalsContact O-N 3.13Å; I193-N196 PolarHBondContact O-N 2.76Å; I193-N196 VanDerWaalsContact O-N 3.08Å; D194-N196 PolarHBondContact O-N 3.11Å; N196-R220 PolarHBondContact ND2-NH1 3.45Å; N196-R220 WeakPolarHBondContact O-CD 3.28Å; N196-R220 PolarHBondContact O-NH1 3.18Å
197G98.5Very high98.6Very high0 Ų039.2 Ų39.20%021%0.214CC..  trans154.8166.4-179.600000116.4I192 N195 A222I192-G197 PolarHBondContact O-N 2.9Å; N195-G197 PolarHBondContact ND2-O 2.92Å; N195-G197 PolarHBondContact O-N 3.21Å; G197-A222 CarbonylContact C-O 3.57Å; G197-A222 VanDerWaalsContact CA-O 3.25Å; G197-A222 WeakPolarHBondContact CA-O 3.33Å
198I98.9Very high98.6Very high0 Ų037.7 Ų37.70%022%0.215CC..EExtended strand (participates in β ladder)trans-141.6144.3168.1-171.3174.5000109.2V145 L148 L162 N166 L167 I192 A221 A222V145-I198 HydrophobicContact CG1-CD1 3.93Å; L148-I198 HydrophobicContact CD2-CG2 3.87Å; L162-I198 HydrophobicContact CB-CD1 4.47Å; L162-I198 HydrophobicContact CD1-CG2 4.12Å; L162-I198 HydrophobicContact CD2-CG2 4.31Å; N166-I198 HydrophobicContact CB-CG1 4.31Å; N166-I198 WeakPolarHBondContact OD1-CG1 3.41Å; L167-I198 HydrophobicContact CD1-CD1 4.24Å; L167-I198 HydrophobicContact CD2-CD1 3.89Å; L167-I198 HydrophobicContact CG-CD1 3.88Å; I192-I198 HydrophobicContact CD1-CB 4.4Å; I192-I198 HydrophobicContact CD1-CD1 3.9Å; I192-I198 HydrophobicContact CD1-CG2 4.47Å; I192-I198 HydrophobicContact CG1-CB 4.19Å; I192-I198 HydrophobicContact CG1-CD1 4.25Å; I192-I198 HydrophobicContact CG2-CB 4.15Å; I192-I198 HydrophobicContact CG2-CG2 4.18Å; I198-A221 PolarHBondContact O-N 2.91Å; I198-A222 HydrophobicContact CG2-CB 3.92Å; I198-A222 PolarHBondContact N-O 2.7Å; I198-A222 PolarHBondContact O-N 3.44Å
199D98.9Very high98.5Very high3 Ų341 Ų412%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-75.8160.8178.3-72.9-16.8000113.1S163 N166 Y215 D216 R220S163-D199 WeakPolarHBondContact CB-O 3.36Å; S163-D199 PolarHBondContact N-O 2.79Å; N166-D199 PolarHBondContact OD1-N 2.92Å; N166-D199 VanDerWaalsContact OD1-N 3.1Å; D199-Y215 WeakPolarHBondContact OD1-CD2 3.44Å; D199-Y215 VanDerWaalsContact OD1-CE2 3.26Å; D199-Y215 WeakPolarHBondContact OD1-CE2 3.41Å; D199-D216 PolarHBondContact OD2-N 3.1Å; D199-R220 PolarHBondContact OD1-N 2.83Å
200S98.8Very high98.4Very high20 Ų2044.5 Ų44.514%0.1425%0.253CS..BIsolated β-bridgetrans-69.1151.9167.571.40000111.5S161 A202 S203 Y204 Y219S161-S200 WeakPolarHBondContact O-CA 3.46Å; S200-A202 PolarHBondContact O-N 3.36Å; S200-S203 PolarHBondContact N-OG 3.28Å; S200-S203 PolarHBondContact O-N 2.88Å; S200-S203 PolarHBondContact O-OG 3.31Å; S200-S203 WeakPolarHBondContact OG-CB 3.38Å; S200-S203 PolarHBondContact OG-N 3.43Å; S200-S203 VanDerWaalsContact OG-N 3.07Å; S200-S203 PolarHBondContact OG-OG 3.21Å; S200-Y204 PolarHBondContact O-N 3.39Å; S200-Y219 PolarHBondContact N-O 2.96Å
201D98.7Very high98.4Very high40 Ų4045.3 Ų45.321%0.21426%0.257CS..THydrogen-bonded Turntrans-60.1-31.4171-175.863.8000111.6S161 Y204 P205S161-D201 PolarHBondContact O-N 3.27Å; D201-Y204 CarbonylContact O-C 3.25Å; D201-Y204 VanDerWaalsContact O-C 3.25Å; D201-P205 WeakPolarHBondContact O-CA 3.42Å; D201-P205 VanDerWaalsContact O-N 3.15Å
202A98.6Very high98.4Very high92 Ų9253.4 Ų53.476%0.7629%0.293SS*.THydrogen-bonded Turntrans-66.7-37.8177.900000113.2S200S200-A202 PolarHBondContact O-N 3.36Å
203S98.6Very high98.4Very high43 Ų4356.1 Ų56.130%0.30131%0.311SS..THydrogen-bonded Turntrans-83.9-28.5178.656.10000113S200 Y219S200-S203 PolarHBondContact N-OG 3.28Å; S200-S203 PolarHBondContact O-N 2.88Å; S200-S203 PolarHBondContact O-OG 3.31Å; S200-S203 WeakPolarHBondContact OG-CB 3.38Å; S200-S203 PolarHBondContact OG-N 3.43Å; S200-S203 VanDerWaalsContact OG-N 3.07Å; S200-S203 PolarHBondContact OG-OG 3.21Å; S203-Y219 VanDerWaalsContact CB-CB 3.41Å; S203-Y219 WeakPolarHBondContact OG-CB 3.35Å
204Y98.8Very high98.3Very high10 Ų1060 Ų604%0.03933%0.328CS..SBendtrans-131.379.5177-162.7-16.8000110.2S163 Q165 N166 D169 S200 D201 K212 Q214S163-Y204 WeakPolarHBondContact CB-O 3.35Å; S163-Y204 WeakPolarHBondContact OG-CB 3.39Å; S163-Y204 PolarHBondContact OG-O 2.69Å; Q165-Y204 HydrophobicContact CB-CD1 3.84Å; Q165-Y204 HydrophobicContact CB-CE1 3.91Å; Q165-Y204 HydrophobicContact CG-CD1 3.79Å; Q165-Y204 HydrophobicContact CG-CE1 3.41Å; Q165-Y204 VanDerWaalsContact CG-CE1 3.41Å; N166-Y204 HydrophobicContact CB-CD2 3.69Å; N166-Y204 HydrophobicContact CB-CE2 3.96Å; N166-Y204 HydrophobicContact CB-CG 4.35Å; D169-Y204 VanDerWaalsContact CB-OH 3.26Å; D169-Y204 WeakPolarHBondContact CB-OH 3.49Å; D169-Y204 WeakPolarHBondContact OD2-CE1 3.35Å; D169-Y204 PolarHBondContact OD2-OH 3.41Å; S200-Y204 PolarHBondContact O-N 3.39Å; D201-Y204 CarbonylContact O-C 3.25Å; D201-Y204 VanDerWaalsContact O-C 3.25Å; Y204-K212 PolarHBondContact OH-O 2.78Å; Y204-Q214 HydrophobicContact CE1-CB 4.4Å; Y204-Q214 VanDerWaalsContact CE2-C 3.46Å; Y204-Q214 HydrophobicContact CE2-CB 3.84Å; Y204-Q214 PolarHBondContact OH-N 2.85Å
205P98.6Very high98.3Very high53 Ų5358.6 Ų58.634%0.34432%0.317SS..  trans-71.7146-171.4-19.532.9000113.9D201D201-P205 WeakPolarHBondContact O-CA 3.42Å; D201-P205 VanDerWaalsContact O-N 3.15Å
206Y98.6Very high98.3Very high42 Ų4259.5 Ų59.517%0.16532%0.322CS..  trans-61.1133174.8-167.4-111.8000114.1Q133 C136 A138 F142 A164 Q165 V168 A208Q133-Y206 WeakPolarHBondContact O-CE1 3.12Å; Q133-Y206 PolarHBondContact O-OH 2.95Å; C136-Y206 VanDerWaalsContact CB-OH 3.32Å; C136-Y206 WeakPolarHBondContact CB-OH 3.08Å; C136-Y206 PolarHBondContact SG-OH 3.01Å; C136-Y206 VanDerWaalsContact SG-OH 3.32Å; A138-Y206 HydrophobicContact CB-CE2 4.14Å; A138-Y206 WeakPolarHBondContact CB-OH 3.38Å; F142-Y206 HydrophobicContact CE2-CD1 4.4Å; F142-Y206 HydrophobicContact CE2-CD2 4.24Å; F142-Y206 AromaticContact CE2-CE1 3.95Å; F142-Y206 HydrophobicContact CE2-CE1 3.95Å; F142-Y206 AromaticContact CE2-CE2 3.79Å; F142-Y206 HydrophobicContact CE2-CE2 3.79Å; F142-Y206 AromaticContact CE2-CZ 3.6Å; F142-Y206 AromaticContact CZ-CD1 3.85Å; F142-Y206 HydrophobicContact CZ-CD1 3.85Å; F142-Y206 AromaticContact CZ-CD2 3.88Å; F142-Y206 HydrophobicContact CZ-CD2 3.88Å; F142-Y206 AromaticContact CZ-CE1 3.86Å; F142-Y206 HydrophobicContact CZ-CE1 3.86Å; F142-Y206 AromaticContact CZ-CE2 3.9Å; F142-Y206 HydrophobicContact CZ-CE2 3.9Å; F142-Y206 AromaticContact CZ-CG 3.85Å; F142-Y206 HydrophobicContact CZ-CG 3.85Å; F142-Y206 AromaticContact CZ-CZ 3.87Å; A164-Y206 HydrophobicContact CB-CD2 4.25Å; Q165-Y206 HydrophobicContact CB-CD2 4.31Å; Q165-Y206 VanDerWaalsContact OE1-CD2 3.29Å; V168-Y206 HydrophobicContact CG2-CE2 4.41Å; Y206-A208 HydrophobicContact CD1-CB 4.29Å; Y206-A208 HydrophobicContact CE1-CB 3.57Å
207K98.2Very high98.3Very high116 Ų11658.7 Ų58.750%0.50432%0.324SS..  trans-120.8-3.1-177.4-57.3-57.7176.6-1750113.9T209K207-T209 HydrophobicContact CB-CG2 4.06Å; K207-T209 PolarHBondContact O-N 3.15Å
208A96.6Very high98.3Very high31 Ų3166.1 Ų66.126%0.25636%0.357SS..SBendtrans53.734.2-179.100000113.8C136 Y206C136-A208 HydrophobicContact CB-CB 4.17Å; Y206-A208 HydrophobicContact CD1-CB 4.29Å; Y206-A208 HydrophobicContact CE1-CB 3.57Å
209T97.1Very high98.3Very high68 Ų6871.3 Ų71.342%0.41738%0.377SS..SBendtrans-155.3157.1179.3-166.50000109.8Q165 K207 Q211Q165-T209 PolarHBondContact NE2-O 2.92Å; K207-T209 HydrophobicContact CB-CG2 4.06Å; K207-T209 PolarHBondContact O-N 3.15Å; T209-Q211 HydrophobicContact CG2-CG 3.79Å
210D97.6Very high98.3Very high75 Ų7576.6 Ų76.640%0.40140%0.397SS..  trans-76.3123.9174.9-64.5-44.9000109.9V168 G179 C180V168-D210 WeakPolarHBondContact CG1-OD1 3.37Å; G179-D210 WeakPolarHBondContact CA-OD1 3.48Å; C180-D210 PolarHBondContact N-OD1 2.75Å
211Q97.9Very high98.2Very high81 Ų8177.1 Ų77.138%0.37940%0.402SS..  trans-125.7174.1175.9-50.9-167.9-54.100110.8D169 T209D169-Q211 WeakPolarHBondContact CB-O 3.26Å; D169-Q211 PolarHBondContact OD1-N 3.47Å; T209-Q211 HydrophobicContact CG2-CG 3.79Å
212K98.1Very high98.2Very high178 Ų17875.5 Ų75.577%0.77440%0.395SS*.  trans-66.9138169.4-175.7178.4177.9-177.80108.9Y204 Q214Y204-K212 PolarHBondContact OH-O 2.78Å; K212-Q214 VanDerWaalsContact O-CG 3.3Å; K212-Q214 WeakPolarHBondContact O-CG 3.33Å; K212-Q214 PolarHBondContact O-N 3.27Å
213C98.6Very high98.2Very high57 Ų5773.1 Ų73.139%0.38537%0.371SS..  trans-53.8126.5173.4178.80000112.5D169 C170D169-C213 HydrophobicContact CB-CB 4.5Å; C170-C213 HydrophobicContact CB-CB 3.87Å; C170-C213 WeakPolarHBondContact CB-SG 3.32Å; C170-C213 VanDerWaalsContact SG-CA 3.51Å; C170-C213 WeakPolarHBondContact SG-CB 3.39Å; C170-C213 CovalentContact SG-SG 2.03Å; C170-C213 PolarHBondContact SG-SG 2.86Å
214Q98.4Very high98.2Very high124 Ų12471.5 Ų71.558%0.57936%0.359SS*.  trans-125.329.5179-53.3-175.912.800113.1Y204 K212 D216Y204-Q214 HydrophobicContact CE1-CB 4.4Å; Y204-Q214 VanDerWaalsContact CE2-C 3.46Å; Y204-Q214 HydrophobicContact CE2-CB 3.84Å; Y204-Q214 PolarHBondContact OH-N 2.85Å; K212-Q214 VanDerWaalsContact O-CG 3.3Å; K212-Q214 WeakPolarHBondContact O-CG 3.33Å; K212-Q214 PolarHBondContact O-N 3.27Å; Q214-D216 PolarHBondContact O-N 2.9Å
215Y98.7Very high98.2Very high50 Ų5074.2 Ų74.220%0.19638%0.38CS..  trans-54.9130.1175.3171.6-112.4000110.9N166 N195 D199N166-Y215 WeakPolarHBondContact OD1-CD2 3.47Å; N195-Y215 VanDerWaalsContact ND2-CD1 3.29Å; N195-Y215 WeakPolarHBondContact ND2-CD1 3.31Å; N195-Y215 WeakPolarHBondContact ND2-CE1 3.39Å; N195-Y215 WeakPolarHBondContact ND2-CE2 3.39Å; D199-Y215 WeakPolarHBondContact OD1-CD2 3.44Å; D199-Y215 VanDerWaalsContact OD1-CE2 3.26Å; D199-Y215 WeakPolarHBondContact OD1-CE2 3.41Å
216D98.4Very high98.2Very high63 Ų6376.5 Ų76.534%0.33738%0.384SS..  trans-127.5109.7177.7-178.5-6.6000110D199 Q214 K218 Y219D199-D216 PolarHBondContact OD2-N 3.1Å; Q214-D216 PolarHBondContact O-N 2.9Å; D216-K218 PolarHBondContact O-N 3.02Å; D216-K218 WeakPolarHBondContact OD1-CB 3.4Å; D216-K218 PolarHBondContact OD1-N 3.38Å; D216-Y219 HydrophobicContact CB-CD2 3.94Å; D216-Y219 PolarHBondContact O-N 2.87Å; D216-Y219 WeakPolarHBondContact OD2-CD2 3.46Å; D216-Y219 VanDerWaalsContact OD2-CE2 3.24Å; D216-Y219 WeakPolarHBondContact OD2-CE2 3.47Å
217S97.8Very high98.1Very high86 Ų8677.6 Ų77.660%0.60139%0.388SS*.G310 helixtrans-56.8-19.7-17864.20000114.2Y219 R220S217-Y219 VanDerWaalsContact C-N 3.28Å; S217-Y219 PolarHBondContact O-N 3.1Å; S217-R220 WeakPolarHBondContact O-CB 3.26Å; S217-R220 PolarHBondContact O-N 3.25Å
218K98.3Very high98.1Very high156 Ų15672.6 Ų72.668%0.67837%0.367SS*.G310 helixtrans-63.6-31.2172.2-174.3-176.4174.1-167.90112.8D216D216-K218 PolarHBondContact O-N 3.02Å; D216-K218 WeakPolarHBondContact OD1-CB 3.4Å; D216-K218 PolarHBondContact OD1-N 3.38Å
219Y98.5Very high98.1Very high110 Ų11071.6 Ų71.643%0.43136%0.357SS..G310 helixtrans-107.515-177.8-54.4-65.7000113.7S200 S203 D216 S217 A221S200-Y219 PolarHBondContact N-O 2.96Å; S203-Y219 VanDerWaalsContact CB-CB 3.41Å; S203-Y219 WeakPolarHBondContact OG-CB 3.35Å; D216-Y219 HydrophobicContact CB-CD2 3.94Å; D216-Y219 PolarHBondContact O-N 2.87Å; D216-Y219 WeakPolarHBondContact OD2-CD2 3.46Å; D216-Y219 VanDerWaalsContact OD2-CE2 3.24Å; D216-Y219 WeakPolarHBondContact OD2-CE2 3.47Å; S217-Y219 VanDerWaalsContact C-N 3.28Å; S217-Y219 PolarHBondContact O-N 3.1Å; Y219-A221 PolarHBondContact O-N 2.74Å
220R98.6Very high98.1Very high114 Ų11468.4 Ų68.443%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-54.2120.9174-179178.564.6-176.1-1.6110.7N196 D199 S217 A222N196-R220 PolarHBondContact ND2-NH1 3.45Å; N196-R220 WeakPolarHBondContact O-CD 3.28Å; N196-R220 PolarHBondContact O-NH1 3.18Å; D199-R220 PolarHBondContact OD1-N 2.83Å; S217-R220 WeakPolarHBondContact O-CB 3.26Å; S217-R220 PolarHBondContact O-N 3.25Å; R220-A222 WeakPolarHBondContact CG-O 3.36Å
221A98.6Very high98Very high31 Ų3166.2 Ų66.226%0.25633%0.328SS..EExtended strand (participates in β ladder)trans-106-25-176.700000113.5V160 L162 I198 Y219V160-A221 HydrophobicContact CG1-CB 4.27Å; L162-A221 HydrophobicContact CD2-CB 3.6Å; I198-A221 PolarHBondContact O-N 2.91Å; Y219-A221 PolarHBondContact O-N 2.74Å
222A98.6Very high97.9Very high6 Ų666.2 Ų66.25%0.0533%0.325CS..EExtended strand (participates in β ladder)trans-147.9163.7175.500000111.4L148 L152 L162 G197 I198 R220L148-A222 HydrophobicContact CD2-CB 4.19Å; L148-A222 HydrophobicContact CG-CB 4.35Å; L152-A222 HydrophobicContact CD1-CB 4.15Å; L152-A222 HydrophobicContact CD2-CB 4.3Å; L162-A222 HydrophobicContact CD1-CB 3.78Å; L162-A222 HydrophobicContact CD2-CB 3.85Å; L162-A222 HydrophobicContact CG-CB 4.48Å; G197-A222 CarbonylContact C-O 3.57Å; G197-A222 VanDerWaalsContact CA-O 3.25Å; G197-A222 WeakPolarHBondContact CA-O 3.33Å; I198-A222 HydrophobicContact CG2-CB 3.92Å; I198-A222 PolarHBondContact N-O 2.7Å; I198-A222 PolarHBondContact O-N 3.44Å; R220-A222 WeakPolarHBondContact CG-O 3.36Å
223T98.6Very high97.8Very high42 Ų4258.9 Ų58.926%0.25830%0.3SS..  trans-124164.5168.553.50000109I331T223-I331 WeakPolarHBondContact O-CG1 3.37Å
224C98.6Very high97.7Very high8 Ų861.5 Ų61.55%0.05430%0.302CS..  trans-130.6129.5172.5-176.20000106.8L148 I192 I193 K226 E330L148-C224 HydrophobicContact CD1-CB 4.46Å; I192-C224 HydrophobicContact CB-CB 3.9Å; I192-C224 HydrophobicContact CG2-CB 3.5Å; I193-C224 WeakPolarHBondContact CA-O 3.4Å; I193-C224 HydrophobicContact CG1-CB 3.91Å; I193-C224 VanDerWaalsContact CG1-O 3.29Å; I193-C224 WeakPolarHBondContact CG1-O 3.44Å; C224-K226 PolarHBondContact SG-O 3.32Å; C224-E330 WeakPolarHBondContact CA-O 3.42Å
225S97.8Very high97.7Very high68 Ų6856.2 Ų56.248%0.47628%0.277SS..  trans-95.7-33.7177.251.80000112.4E330 I331S225-E330 PolarHBondContact N-O 3.24Å; S225-E330 PolarHBondContact OG-O 3.37Å; S225-I331 WeakPolarHBondContact CB-OXT 3.34Å; S225-I331 VanDerWaalsContact OG-C 3.31Å; S225-I331 PolarHBondContact OG-OXT 3.49Å
226K97.9Very high97.6Very high101 Ų10157.5 Ų57.544%0.43929%0.287SS..EExtended strand (participates in β ladder)trans-161.1171.5177.663.8179.2-176.7169.20110.5C224 P329 E330C224-K226 PolarHBondContact SG-O 3.32Å; K226-P329 CarbonylContact O-C 3.56Å; K226-P329 WeakPolarHBondContact O-CA 3.48Å; K226-E330 WeakPolarHBondContact CE-OE1 3.21Å; K226-E330 WeakPolarHBondContact CE-OE2 3.34Å; K226-E330 HydrophobicContact CG-CB 4.13Å; K226-E330 IonicContact NZ-OE1 3.39Å; K226-E330 PolarHBondContact NZ-OE1 3.41Å; K226-E330 VanDerWaalsContact NZ-OE1 3.16Å; K226-E330 IonicContact NZ-OE2 2.69Å; K226-E330 PolarHBondContact NZ-OE2 3.39Å; K226-E330 PolarHBondContact O-N 3.14Å
227Y98Very high97.6Very high65 Ų6554.6 Ų54.626%0.25527%0.272SS..EExtended strand (participates in β ladder)trans-132.2158.3164.963.3-91.8000110.1T186 F189 Q190 I193 E229 Y328T186-Y227 HydrophobicContact CG2-CD2 3.82Å; T186-Y227 HydrophobicContact CG2-CE2 3.74Å; F189-Y227 HydrophobicContact CB-CD1 3.65Å; F189-Y227 HydrophobicContact CB-CE1 4.48Å; F189-Y227 HydrophobicContact CB-CG 3.99Å; F189-Y227 HydrophobicContact CD2-CG 4.1Å; F189-Y227 HydrophobicContact CG-CG 4.5Å; Q190-Y227 HydrophobicContact CB-CE1 4.21Å; I193-Y227 HydrophobicContact CD1-CD1 3.96Å; I193-Y227 HydrophobicContact CD1-CE1 4.41Å; Y227-E229 HydrophobicContact CD2-CG 4.18Å; Y227-E229 HydrophobicContact CE2-CG 4.05Å; Y227-Y328 CarbonylContact C-O 3.42Å; Y227-Y328 VanDerWaalsContact CA-O 3.29Å; Y227-Y328 WeakPolarHBondContact CA-O 3.36Å
228T97.7Very high97.6Very high10 Ų1050.5 Ų50.56%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-122.8130.6177.8-57.10000109.6Y107 L230 S327 Y328Y107-T228 HydrophobicContact CD2-CG2 4.29Å; T228-L230 HydrophobicContact CG2-CD2 4.43Å; T228-S327 WeakPolarHBondContact O-CA 3.48Å; T228-S327 WeakPolarHBondContact O-CB 3.38Å; T228-Y328 HydrophobicContact CG2-CE1 3.89Å; T228-Y328 PolarHBondContact N-O 3.02Å; T228-Y328 PolarHBondContact O-N 3.07Å; T228-Y328 VanDerWaalsContact O-N 3.07Å; T228-Y328 PolarHBondContact OG1-OH 3.18Å
229E96.8Very high97.6Very high10 Ų1045 Ų455%0.04722%0.219CC..EExtended strand (participates in β ladder)trans-97.8139172.8-63-176.197.200110.7R103 N104 T186 Y227R103-E229 WeakPolarHBondContact CA-OE2 3.32Å; R103-E229 VanDerWaalsContact CD-OE1 3.26Å; R103-E229 WeakPolarHBondContact CD-OE1 3.47Å; R103-E229 VanDerWaalsContact CG-OE1 3.28Å; R103-E229 WeakPolarHBondContact CG-OE1 3.38Å; N104-E229 PolarHBondContact N-OE2 3.43Å; T186-E229 HydrophobicContact CG2-CG 3.86Å; Y227-E229 HydrophobicContact CD2-CG 4.18Å; Y227-E229 HydrophobicContact CE2-CG 4.05Å
230L96.1Very high97.6Very high1 Ų140.4 Ų40.41%0.00520%0.202CC..PPolyproline II helixtrans-94.2153.9-179.5-52.1-169000112.2R103 Y107 T228 V237 L238 V241 P326 Y328R103-L230 PolarHBondContact NH1-O 2.99Å; Y107-L230 HydrophobicContact CD1-CD2 4.42Å; Y107-L230 HydrophobicContact CD2-CD2 4.25Å; Y107-L230 HydrophobicContact CG-CD2 3.9Å; T228-L230 HydrophobicContact CG2-CD2 4.43Å; L230-V237 HydrophobicContact CD1-CG1 4.47Å; L230-L238 HydrophobicContact CD1-CB 4.45Å; L230-L238 HydrophobicContact CD1-CD1 4.03Å; L230-V241 HydrophobicContact CD1-CB 3.89Å; L230-V241 HydrophobicContact CD1-CG1 4.14Å; L230-V241 HydrophobicContact CD1-CG2 3.75Å; L230-V241 HydrophobicContact CD2-CG2 3.74Å; L230-V241 HydrophobicContact CG-CG2 4.43Å; L230-P326 HydrophobicContact CB-CB 3.93Å; L230-P326 HydrophobicContact CB-CG 4.05Å; L230-P326 HydrophobicContact CD1-CB 3.77Å; L230-P326 HydrophobicContact CD1-CG 4.37Å; L230-P326 HydrophobicContact CG-CB 3.9Å; L230-P326 PolarHBondContact N-O 2.93Å; L230-Y328 HydrophobicContact CD2-CD1 4.39Å; L230-Y328 HydrophobicContact CD2-CE1 4.05Å
231P95.3Very high97.5Very high30 Ų3035 Ų3520%0.19518%0.181CC..PPolyproline II helixtrans-57.3142.4175.3-19.429.3000112.6I105 G233 R234I105-P231 HydrophobicContact CG2-CB 4.27Å; I105-P231 HydrophobicContact CG2-CG 3.74Å; P231-G233 PolarHBondContact O-N 3.25Å; P231-R234 HydrophobicContact CB-CB 4.21Å; P231-R234 HydrophobicContact CB-CG 3.81Å
232Y95.9Very high97.5Very high81 Ų8133.5 Ų33.532%0.31817%0.169SC..THydrogen-bonded Turntrans-56.7131.9178.8-175.6-94000112.7R234 Q274 S324Y232-R234 PolarHBondContact O-N 3.01Å; Y232-R234 VanDerWaalsContact O-N 3.1Å; Y232-Q274 PolarHBondContact OH-OE1 3.01Å; Y232-S324 VanDerWaalsContact CD2-O 3.3Å; Y232-S324 WeakPolarHBondContact CD2-O 3.47Å; Y232-S324 WeakPolarHBondContact CE2-OG 3.46Å; Y232-S324 PolarHBondContact OH-OG 3.28Å
233G96.6Very high97.5Very high24 Ų2433.9 Ų33.925%0.24717%0.172CC..THydrogen-bonded Turntrans69.34.9169.500000115P231 E235 A323P231-G233 PolarHBondContact O-N 3.25Å; G233-E235 PolarHBondContact O-N 3.17Å; G233-E235 VanDerWaalsContact O-N 3.15Å; G233-A323 PolarHBondContact N-O 2.93Å
234R97.1Very high97.4Very high111 Ų11134.9 Ų34.942%0.41918%0.176SC..  trans-87.580.5-177.6-69-64.1-64-90.1-1.9111.2P231 Y232 D236 V237 L238P231-R234 HydrophobicContact CB-CB 4.21Å; P231-R234 HydrophobicContact CB-CG 3.81Å; Y232-R234 PolarHBondContact O-N 3.01Å; Y232-R234 VanDerWaalsContact O-N 3.1Å; R234-D236 WeakPolarHBondContact CA-OD1 3.41Å; R234-D236 WeakPolarHBondContact CB-OD1 3.08Å; R234-D236 IonicContact CZ-OD1 3.14Å; R234-D236 IonicContact CZ-OD2 3.29Å; R234-D236 IonicContact NE-OD1 3.91Å; R234-D236 PolarHBondContact NE-OD1 3.07Å; R234-D236 IonicContact NE-OD2 2.84Å; R234-D236 PolarHBondContact NE-OD2 3.15Å; R234-D236 IonicContact NH2-OD1 2.66Å; R234-D236 IonicContact NH2-OD2 2.8Å; R234-D236 PolarHBondContact NH2-OD2 2.84Å; R234-D236 PolarHBondContact O-N 3.29Å; R234-V237 HydrophobicContact CB-CB 3.9Å; R234-V237 HydrophobicContact CB-CG2 3.77Å; R234-V237 HydrophobicContact CG-CG2 4.41Å; R234-V237 PolarHBondContact O-N 2.85Å; R234-L238 PolarHBondContact O-N 3.33Å
235E98.5Very high97.4Very high13 Ų1338.4 Ų38.46%0.06119%0.19CC..Hα-helixtrans-59.9-31.5176.9-66.9-165.2-107.100112.7G233 L238 K239 W294 R314 N315 K316 N318 A323G233-E235 PolarHBondContact O-N 3.17Å; G233-E235 VanDerWaalsContact O-N 3.15Å; E235-L238 PolarHBondContact O-N 3.33Å; E235-K239 WeakPolarHBondContact O-CB 3.06Å; E235-K239 PolarHBondContact O-N 3Å; E235-W294 HydrophobicContact CB-CZ2 4.12Å; E235-W294 PolarHBondContact OE2-NE1 2.99Å; E235-R314 WeakPolarHBondContact OE2-CA 3.35Å; E235-N315 VanDerWaalsContact CD-N 3.33Å; E235-N315 WeakPolarHBondContact OE1-CA 3.3Å; E235-N315 PolarHBondContact OE1-N 3.21Å; E235-N315 PolarHBondContact OE2-N 3.35Å; E235-K316 PolarHBondContact OE1-N 3.23Å; E235-N318 WeakPolarHBondContact OE1-CA 3.49Å; E235-N318 PolarHBondContact OE1-N 3.32Å; E235-A323 HydrophobicContact CG-CB 3.82Å
236D96.7Very high97.4Very high77 Ų7735.1 Ų35.141%0.41217%0.168SC..Hα-helixtrans-63.6-44.217461.4-47.4000112R234 K239 E240R234-D236 WeakPolarHBondContact CA-OD1 3.41Å; R234-D236 WeakPolarHBondContact CB-OD1 3.08Å; R234-D236 IonicContact CZ-OD1 3.14Å; R234-D236 IonicContact CZ-OD2 3.29Å; R234-D236 IonicContact NE-OD1 3.91Å; R234-D236 PolarHBondContact NE-OD1 3.07Å; R234-D236 IonicContact NE-OD2 2.84Å; R234-D236 PolarHBondContact NE-OD2 3.15Å; R234-D236 IonicContact NH2-OD1 2.66Å; R234-D236 IonicContact NH2-OD2 2.8Å; R234-D236 PolarHBondContact NH2-OD2 2.84Å; R234-D236 PolarHBondContact O-N 3.29Å; D236-K239 WeakPolarHBondContact O-CB 3.42Å; D236-K239 PolarHBondContact O-N 3.41Å; D236-E240 PolarHBondContact O-N 2.89Å
237V97.3Very high97.4Very high3 Ų330.3 Ų30.32%0.01815%0.147CC..Hα-helixtrans-69.6-39.7176.4-179.60000110.7Y107 L230 R234 K239 E240 V241Y107-V237 HydrophobicContact CD1-CG1 3.45Å; Y107-V237 VanDerWaalsContact CD1-CG1 3.45Å; Y107-V237 HydrophobicContact CE1-CG1 3.68Å; Y107-V237 HydrophobicContact CG-CG1 4.45Å; L230-V237 HydrophobicContact CD1-CG1 4.47Å; R234-V237 HydrophobicContact CB-CB 3.9Å; R234-V237 HydrophobicContact CB-CG2 3.77Å; R234-V237 HydrophobicContact CG-CG2 4.41Å; R234-V237 PolarHBondContact O-N 2.85Å; V237-K239 VanDerWaalsContact C-N 3.26Å; V237-K239 PolarHBondContact O-N 2.77Å; V237-E240 PolarHBondContact O-N 3.21Å; V237-V241 HydrophobicContact CG1-CG2 4.44Å; V237-V241 VanDerWaalsContact O-CG2 3.32Å; V237-V241 WeakPolarHBondContact O-CG2 3.13Å; V237-V241 PolarHBondContact O-N 3.46Å
238L98.4Very high97.5Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-58.6-40.4172.7-179.456.8000111L230 R234 E235 V241 V242 V248 V250 W294 A323 P326L230-L238 HydrophobicContact CD1-CB 4.45Å; L230-L238 HydrophobicContact CD1-CD1 4.03Å; R234-L238 PolarHBondContact O-N 3.33Å; E235-L238 PolarHBondContact O-N 3.33Å; L238-V241 PolarHBondContact O-N 3.3Å; L238-V242 HydrophobicContact CD1-CG2 3.98Å; L238-V242 HydrophobicContact CG-CG2 4.37Å; L238-V242 WeakPolarHBondContact O-CB 3.01Å; L238-V242 VanDerWaalsContact O-CG2 3.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.47Å; L238-V242 PolarHBondContact O-N 3.18Å; L238-V248 HydrophobicContact CD1-CB 3.94Å; L238-V248 HydrophobicContact CD1-CG1 3.76Å; L238-V248 HydrophobicContact CD1-CG2 4.14Å; L238-V250 HydrophobicContact CD1-CG1 4.45Å; L238-V250 HydrophobicContact CD2-CG1 4.43Å; L238-W294 HydrophobicContact CB-CH2 3.93Å; L238-W294 HydrophobicContact CB-CZ2 4.12Å; L238-W294 HydrophobicContact CD2-CD2 4.38Å; L238-W294 HydrophobicContact CD2-CH2 3.99Å; L238-W294 HydrophobicContact CD2-CZ2 3.76Å; L238-W294 HydrophobicContact CD2-CZ3 4.37Å; L238-W294 HydrophobicContact CG-CH2 3.66Å; L238-W294 HydrophobicContact CG-CZ2 3.93Å; L238-W294 HydrophobicContact CG-CZ3 4.02Å; L238-A323 HydrophobicContact CD2-CB 4.2Å; L238-P326 HydrophobicContact CD1-CB 3.91Å; L238-P326 HydrophobicContact CD1-CG 4.35Å
239K98.4Very high97.5Very high40 Ų4026.8 Ų26.817%0.17413%0.132CC..Hα-helixtrans-63.4-46.9178.5-171.1-173.6176.6-176.10110.8L115 E235 D236 V237 V241 V242 A243 Y285 W294L115-K239 HydrophobicContact CD1-CD 4.34Å; L115-K239 HydrophobicContact CD1-CG 4.2Å; E235-K239 WeakPolarHBondContact O-CB 3.06Å; E235-K239 PolarHBondContact O-N 3Å; D236-K239 WeakPolarHBondContact O-CB 3.42Å; D236-K239 PolarHBondContact O-N 3.41Å; V237-K239 VanDerWaalsContact C-N 3.26Å; V237-K239 PolarHBondContact O-N 2.77Å; K239-V241 VanDerWaalsContact C-N 3.34Å; K239-V241 PolarHBondContact O-N 3.21Å; K239-V242 PolarHBondContact O-N 2.78Å; K239-A243 WeakPolarHBondContact O-CB 3.18Å; K239-A243 PolarHBondContact O-N 3.16Å; K239-Y285 HydrophobicContact CD-CE2 4.23Å; K239-Y285 HydrophobicContact CG-CD1 3.96Å; K239-Y285 HydrophobicContact CG-CD2 4.33Å; K239-Y285 HydrophobicContact CG-CE1 3.54Å; K239-Y285 HydrophobicContact CG-CE2 3.98Å; K239-Y285 HydrophobicContact CG-CG 4.33Å; K239-W294 HydrophobicContact CB-CH2 3.81Å; K239-W294 HydrophobicContact CB-CZ3 4.46Å
240E97.7Very high97.6Very high14 Ų1426.3 Ų26.37%0.06513%0.129CC..Hα-helixtrans-56.5-48.2176.6-171.1-172.4139.300111.5Y107 S109 N110 L115 D236 V237 A243 N244Y107-E240 VanDerWaalsContact OH-CD 3.26Å; Y107-E240 PolarHBondContact OH-OE1 3.07Å; S109-E240 WeakPolarHBondContact CA-OE2 3.42Å; S109-E240 WeakPolarHBondContact CB-OE2 3.14Å; N110-E240 PolarHBondContact N-OE1 2.66Å; N110-E240 VanDerWaalsContact N-OE1 3.14Å; N110-E240 PolarHBondContact N-OE2 2.93Å; L115-E240 VanDerWaalsContact CD1-CA 3.49Å; L115-E240 HydrophobicContact CD1-CB 3.92Å; L115-E240 HydrophobicContact CD1-CG 4.39Å; L115-E240 HydrophobicContact CD2-CG 4.3Å; D236-E240 PolarHBondContact O-N 2.89Å; V237-E240 PolarHBondContact O-N 3.21Å; E240-A243 PolarHBondContact O-N 3.39Å; E240-N244 WeakPolarHBondContact CG-ND2 3.38Å; E240-N244 VanDerWaalsContact O-CB 3.29Å; E240-N244 WeakPolarHBondContact O-CB 3.5Å; E240-N244 VanDerWaalsContact O-CG 3.31Å; E240-N244 PolarHBondContact O-N 3.12Å; E240-N244 PolarHBondContact O-ND2 3.06Å; E240-N244 VanDerWaalsContact O-ND2 3.14Å
241V97.9Very high97.7Very high0 Ų026.2 Ų26.20%013%0.129CC..Hα-helixtrans-68-43.4-178.7174.70000111.2Y107 L230 V237 L238 K239 A243 N244 K245 G246 V248 Y328Y107-V241 HydrophobicContact CD1-CG2 4.19Å; Y107-V241 HydrophobicContact CD2-CG2 3.98Å; Y107-V241 HydrophobicContact CE1-CG2 3.75Å; Y107-V241 HydrophobicContact CE2-CG2 3.53Å; Y107-V241 HydrophobicContact CG-CG2 4.29Å; Y107-V241 VanDerWaalsContact CZ-CG2 3.41Å; L230-V241 HydrophobicContact CD1-CB 3.89Å; L230-V241 HydrophobicContact CD1-CG1 4.14Å; L230-V241 HydrophobicContact CD1-CG2 3.75Å; L230-V241 HydrophobicContact CD2-CG2 3.74Å; L230-V241 HydrophobicContact CG-CG2 4.43Å; V237-V241 HydrophobicContact CG1-CG2 4.44Å; V237-V241 VanDerWaalsContact O-CG2 3.32Å; V237-V241 WeakPolarHBondContact O-CG2 3.13Å; V237-V241 PolarHBondContact O-N 3.46Å; L238-V241 PolarHBondContact O-N 3.3Å; K239-V241 VanDerWaalsContact C-N 3.34Å; K239-V241 PolarHBondContact O-N 3.21Å; V241-A243 VanDerWaalsContact C-N 3.27Å; V241-A243 PolarHBondContact O-N 3.48Å; V241-N244 PolarHBondContact O-N 3.45Å; V241-K245 HydrophobicContact CG1-CB 3.96Å; V241-K245 HydrophobicContact CG1-CG 4.09Å; V241-K245 WeakPolarHBondContact O-CA 3.32Å; V241-K245 VanDerWaalsContact O-CB 3.3Å; V241-K245 WeakPolarHBondContact O-CB 3.44Å; V241-K245 PolarHBondContact O-N 3.2Å; V241-G246 PolarHBondContact O-N 3.06Å; V241-V248 HydrophobicContact CB-CG2 4.43Å; V241-V248 HydrophobicContact CG1-CG2 3.63Å; V241-Y328 HydrophobicContact CG1-CD1 3.41Å; V241-Y328 VanDerWaalsContact CG1-CD1 3.41Å; V241-Y328 HydrophobicContact CG1-CE1 3.44Å; V241-Y328 VanDerWaalsContact CG1-CE1 3.44Å; V241-Y328 HydrophobicContact CG1-CG 4.21Å; V241-Y328 HydrophobicContact CG2-CE1 4.37Å
242V98.6Very high97.9Very high0 Ų024.8 Ų24.80%012%0.12CC..Hα-helixtrans-60.3-40176.4171.60000110.9V119 W121 L238 K239 G246 V248 V282 Y285 W294V119-V242 HydrophobicContact CG1-CG1 4.5Å; W121-V242 PolarHBondContact NE1-O 3.38Å; L238-V242 HydrophobicContact CD1-CG2 3.98Å; L238-V242 HydrophobicContact CG-CG2 4.37Å; L238-V242 WeakPolarHBondContact O-CB 3.01Å; L238-V242 VanDerWaalsContact O-CG2 3.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.47Å; L238-V242 PolarHBondContact O-N 3.18Å; K239-V242 PolarHBondContact O-N 2.78Å; V242-G246 WeakPolarHBondContact CA-O 3.19Å; V242-V248 HydrophobicContact CG2-CB 4.25Å; V242-V248 HydrophobicContact CG2-CG2 3.7Å; V242-V282 HydrophobicContact CG1-CG1 4.43Å; V242-V282 HydrophobicContact CG2-CB 4.36Å; V242-V282 HydrophobicContact CG2-CG1 3.69Å; V242-Y285 HydrophobicContact CB-CD1 4.2Å; V242-Y285 HydrophobicContact CB-CE1 4.27Å; V242-Y285 HydrophobicContact CG1-CD1 3.8Å; V242-Y285 HydrophobicContact CG1-CE1 4.06Å; V242-W294 HydrophobicContact CG2-CZ3 4.3Å
243A98.1Very high98Very high13 Ų1321.1 Ų21.111%0.10711%0.106CC..Hα-helixtrans-68.6-42.1178.600000113.1L115 P116 V119 K239 E240 V241 Y285L115-A243 HydrophobicContact CD2-CB 3.99Å; P116-A243 HydrophobicContact CG-CB 4.47Å; V119-A243 HydrophobicContact CG2-CB 4.31Å; K239-A243 WeakPolarHBondContact O-CB 3.18Å; K239-A243 PolarHBondContact O-N 3.16Å; E240-A243 PolarHBondContact O-N 3.39Å; V241-A243 VanDerWaalsContact C-N 3.27Å; V241-A243 PolarHBondContact O-N 3.48Å; A243-Y285 HydrophobicContact CB-CE1 4.23Å; A243-Y285 WeakPolarHBondContact CB-OH 3.34Å
244N96.3Very high98Very high64 Ų6420 Ų2034%0.3429%0.094SC..Hα-helixtrans-99.1-29.2-167.1-67.6-36.2000114.6Q113 E240 V241Q113-N244 PolarHBondContact NE2-ND2 3.15Å; Q113-N244 VanDerWaalsContact NE2-ND2 3.12Å; Q113-N244 PolarHBondContact NE2-OD1 3.07Å; Q113-N244 PolarHBondContact OE1-ND2 2.98Å; E240-N244 WeakPolarHBondContact CG-ND2 3.38Å; E240-N244 VanDerWaalsContact O-CB 3.29Å; E240-N244 WeakPolarHBondContact O-CB 3.5Å; E240-N244 VanDerWaalsContact O-CG 3.31Å; E240-N244 PolarHBondContact O-N 3.12Å; E240-N244 PolarHBondContact O-ND2 3.06Å; E240-N244 VanDerWaalsContact O-ND2 3.14Å; V241-N244 PolarHBondContact O-N 3.45Å
245K97.5Very high97.9Very high81 Ų8116.8 Ų16.835%0.3529%0.089SC..THydrogen-bonded Turntrans-111.1-31.8-171.5-59-61.4-174.5177.40113Q151 L154 V241 Y328Q151-K245 PolarHBondContact NE2-O 3.19Å; L154-K245 WeakPolarHBondContact CD1-O 3.37Å; V241-K245 HydrophobicContact CG1-CB 3.96Å; V241-K245 HydrophobicContact CG1-CG 4.09Å; V241-K245 WeakPolarHBondContact O-CA 3.32Å; V241-K245 VanDerWaalsContact O-CB 3.3Å; V241-K245 WeakPolarHBondContact O-CB 3.44Å; V241-K245 PolarHBondContact O-N 3.2Å; K245-Y328 HydrophobicContact CB-CD2 4.32Å; K245-Y328 HydrophobicContact CB-CE2 4.09Å; K245-Y328 HydrophobicContact CD-CE2 4.41Å; K245-Y328 HydrophobicContact CG-CE1 4.5Å; K245-Y328 HydrophobicContact CG-CE2 4.11Å
246G98.3Very high97.9Very high0 Ų017.8 Ų17.80%09%0.093CC..  trans126-171.3-17800000113.3V241 V242 V248V241-G246 PolarHBondContact O-N 3.06Å; V242-G246 WeakPolarHBondContact CA-O 3.19Å; G246-V248 WeakPolarHBondContact O-CG2 3.48Å
247P98.8Very high97.9Very high0 Ų016 Ų160%09%0.086CC..  trans-52.3140.8172.5-29.338.1000113.9W121 V127 A150 L281 V282 V283W121-P247 HydrophobicContact CB-CG 3.87Å; W121-P247 HydrophobicContact CG-CG 3.87Å; V127-P247 HydrophobicContact CG2-CG 4.44Å; A150-P247 HydrophobicContact CB-CB 4.12Å; A150-P247 VanDerWaalsContact CB-CD 3.42Å; A150-P247 HydrophobicContact CB-CG 3.53Å; P247-L281 HydrophobicContact CB-CD1 3.87Å; P247-L281 HydrophobicContact CB-CD2 4Å; P247-L281 HydrophobicContact CB-CG 3.97Å; P247-V282 CarbonylContact C-O 3.59Å; P247-V282 WeakPolarHBondContact CA-O 3.19Å; P247-V283 HydrophobicContact CB-CG1 4.16Å; P247-V283 HydrophobicContact CG-CB 4.5Å; P247-V283 HydrophobicContact CG-CG1 4.31Å
248V98.9Very high97.9Very high0 Ų016 Ų160%09%0.085CC..EExtended strand (participates in β ladder)trans-123129.6-174.1-1780000110.1L238 V241 V242 G246 V250 V282 P326 S327L238-V248 HydrophobicContact CD1-CB 3.94Å; L238-V248 HydrophobicContact CD1-CG1 3.76Å; L238-V248 HydrophobicContact CD1-CG2 4.14Å; V241-V248 HydrophobicContact CB-CG2 4.43Å; V241-V248 HydrophobicContact CG1-CG2 3.63Å; V242-V248 HydrophobicContact CG2-CB 4.25Å; V242-V248 HydrophobicContact CG2-CG2 3.7Å; G246-V248 WeakPolarHBondContact O-CG2 3.48Å; V248-V250 HydrophobicContact CG1-CG1 4.27Å; V248-V282 PolarHBondContact N-O 3.46Å; V248-V282 PolarHBondContact O-N 3.43Å; V248-P326 HydrophobicContact CG1-CB 3.75Å; V248-S327 WeakPolarHBondContact CG1-O 3.47Å
249S98.9Very high97.9Very high0 Ų016 Ų160%09%0.085CC..EExtended strand (participates in β ladder)trans-71.6130.7172.7-63.20000110S143 A147 P326 S327S143-S249 PolarHBondContact O-OG 2.94Å; S143-S249 WeakPolarHBondContact OG-CA 3.43Å; S143-S249 WeakPolarHBondContact OG-CB 3.47Å; S143-S249 PolarHBondContact OG-OG 3.05Å; A147-S249 VanDerWaalsContact CB-OG 3.31Å; A147-S249 WeakPolarHBondContact CB-OG 3.42Å; S249-P326 CarbonylContact O-C 3.56Å; S249-P326 WeakPolarHBondContact O-CA 3.43Å; S249-S327 WeakPolarHBondContact CB-O 3.39Å; S249-S327 PolarHBondContact N-O 3.45Å; S249-S327 PolarHBondContact O-N 3.07Å
250V98.8Very high97.9Very high0 Ų014 Ų140%08%0.077CC..EExtended strand (participates in β ladder)trans-136.3158.8179.2-57.90000111.4L238 V248 V252 V280 V282 I322 P326L238-V250 HydrophobicContact CD1-CG1 4.45Å; L238-V250 HydrophobicContact CD2-CG1 4.43Å; V248-V250 HydrophobicContact CG1-CG1 4.27Å; V250-V252 HydrophobicContact CG2-CG1 4.38Å; V250-V280 HydrophobicContact CG2-CG2 3.51Å; V250-V280 PolarHBondContact N-O 2.86Å; V250-V280 PolarHBondContact O-N 3.5Å; V250-V282 HydrophobicContact CB-CG2 4.41Å; V250-V282 HydrophobicContact CG1-CG2 3.76Å; V250-V282 HydrophobicContact CG2-CG2 3.71Å; V250-I322 HydrophobicContact CB-CG1 4.44Å; V250-I322 WeakPolarHBondContact CB-O 3.38Å; V250-I322 WeakPolarHBondContact CG1-O 3.14Å; V250-I322 HydrophobicContact CG2-CG1 3.89Å; V250-P326 HydrophobicContact CG1-CB 4.01Å; V250-P326 HydrophobicContact CG1-CG 4.48Å
251G98.4Very high97.9Very high0 Ų013.4 Ų13.40%07%0.074CC..EExtended strand (participates in β ladder)trans-98.2146.8163.900000110.7V276 H278G251-V276 VanDerWaalsContact C-CG1 3.49Å; G251-V276 WeakPolarHBondContact O-CG1 3.41Å; G251-H278 CarbonylContact C-O 3.37Å; G251-H278 VanDerWaalsContact CA-O 3.29Å; G251-H278 WeakPolarHBondContact CA-O 3.27Å
252V98.7Very high97.9Very high0 Ų013.4 Ų13.40%07%0.074CC..EExtended strand (participates in β ladder)trans-135.5158.1171-63.30000111.4V250 F259 V276 N277 H278 V280 M312 C320 I322V250-V252 HydrophobicContact CG2-CG1 4.38Å; V252-F259 HydrophobicContact CG2-CE2 4.28Å; V252-F259 HydrophobicContact CG2-CZ 4.19Å; V252-V276 WeakPolarHBondContact O-CA 3.39Å; V252-N277 PolarHBondContact O-N 2.73Å; V252-N277 PolarHBondContact O-OD1 3.5Å; V252-H278 HydrophobicContact CG2-CB 4.21Å; V252-H278 PolarHBondContact N-O 2.83Å; V252-H278 PolarHBondContact O-N 2.93Å; V252-V280 HydrophobicContact CG1-CG2 3.91Å; V252-V280 HydrophobicContact CG2-CG1 4.26Å; V252-V280 HydrophobicContact CG2-CG2 3.93Å; V252-M312 HydrophobicContact CB-CE 4.08Å; V252-M312 HydrophobicContact CB-SD 4.48Å; V252-M312 HydrophobicContact CG1-CE 3.86Å; V252-M312 HydrophobicContact CG1-SD 3.89Å; V252-C320 CarbonylContact C-O 3.57Å; V252-C320 WeakPolarHBondContact CA-O 3.44Å; V252-C320 HydrophobicContact CB-CB 4.48Å; V252-I322 HydrophobicContact CG1-CB 3.98Å; V252-I322 HydrophobicContact CG1-CD1 4.28Å; V252-I322 HydrophobicContact CG1-CG1 3.74Å
253D98Very high98Very high4 Ų419.2 Ų19.22%0.02110%0.096CC..  trans-79.9110.8163-173.91.8000110.2S255 H256 T273 N277 C320D253-S255 WeakPolarHBondContact OD1-CB 3.5Å; D253-S255 PolarHBondContact OD1-N 2.66Å; D253-S255 VanDerWaalsContact OD1-N 3.09Å; D253-S255 PolarHBondContact OD1-OG 3.43Å; D253-H256 IonicContact OD2-NE2 2.83Å; D253-T273 WeakPolarHBondContact CB-O 3.49Å; D253-T273 WeakPolarHBondContact OD2-CB 3.15Å; D253-T273 PolarHBondContact OD2-N 3.1Å; D253-T273 PolarHBondContact OD2-OG1 2.9Å; D253-N277 PolarHBondContact OD1-ND2 3.39Å; D253-C320 HydrophobicContact CB-CB 4.18Å; D253-C320 PolarHBondContact N-O 3.15Å
254A97.2Very high98Very high0 Ų020.5 Ų20.50%010%0.104CC..  trans-111.813.8-179.800000112.9M89 H256 F259 N277 H278 W300M89-A254 HydrophobicContact CE-CB 4.16Å; M89-A254 WeakPolarHBondContact CE-O 3.21Å; M89-A254 HydrophobicContact SD-CB 4.42Å; A254-H256 PolarHBondContact O-N 3.17Å; A254-F259 HydrophobicContact CB-CD1 3.57Å; A254-F259 HydrophobicContact CB-CD2 4.34Å; A254-F259 HydrophobicContact CB-CE1 3.6Å; A254-F259 HydrophobicContact CB-CE2 4.35Å; A254-F259 HydrophobicContact CB-CG 3.97Å; A254-F259 HydrophobicContact CB-CZ 4Å; A254-N277 PolarHBondContact N-OD1 3.29Å; A254-H278 HydrophobicContact CB-CB 3.6Å; A254-W300 HydrophobicContact CB-CH2 4.22Å
255S95.4Very high98.1Very high44 Ų4417.9 Ų17.931%0.3089%0.092SC..  trans-72.7-7.8-170.8-71.30000114.9S85 M89 D253 N277S85-S255 WeakPolarHBondContact CB-O 3.19Å; S85-S255 PolarHBondContact OG-O 3Å; M89-S255 VanDerWaalsContact SD-CA 3.59Å; D253-S255 WeakPolarHBondContact OD1-CB 3.5Å; D253-S255 PolarHBondContact OD1-N 2.66Å; D253-S255 VanDerWaalsContact OD1-N 3.09Å; D253-S255 PolarHBondContact OD1-OG 3.43Å; S255-N277 PolarHBondContact OG-ND2 2.89Å
256H96.7Very high98.2Very high34 Ų3414.2 Ų14.216%0.1578%0.077CC..SBendtrans-89.8142.3-173.2-61-82.1000112.7D253 A254 S258 F259 F260 E269 S271 C272D253-H256 IonicContact OD2-NE2 2.83Å; A254-H256 PolarHBondContact O-N 3.17Å; H256-S258 WeakPolarHBondContact CB-OG 3.33Å; H256-S258 PolarHBondContact O-N 2.88Å; H256-F259 WeakPolarHBondContact O-CA 3.13Å; H256-F259 WeakPolarHBondContact O-CB 3.47Å; H256-F259 PolarHBondContact O-N 2.81Å; H256-F260 WeakPolarHBondContact O-CD1 3.28Å; H256-F260 PolarHBondContact O-N 3.43Å; H256-E269 HydrophobicContact CB-CG 4.15Å; H256-S271 PolarHBondContact CE1-O 3.14Å; H256-S271 VanDerWaalsContact CE1-O 3.3Å; H256-S271 PolarHBondContact NE2-O 3.31Å; H256-C272 WeakPolarHBondContact NE2-CA 3.22Å
257P97.3Very high98.2Very high40 Ų4014.2 Ų14.226%0.268%0.077SC..Hα-helixtrans-54.9-35.3170.2-25.835.3000114.6F58 S85 F259 F260 L261F58-P257 HydrophobicContact CD1-CB 4.08Å; F58-P257 HydrophobicContact CE1-CB 3.7Å; F58-P257 HydrophobicContact CZ-CB 4.02Å; S85-P257 WeakPolarHBondContact OG-CD 3.5Å; S85-P257 WeakPolarHBondContact OG-CG 3.34Å; P257-F259 PolarHBondContact O-N 3.5Å; P257-F260 HydrophobicContact CB-CE1 3.87Å; P257-F260 HydrophobicContact CB-CZ 3.96Å; P257-F260 HydrophobicContact CG-CE1 4.06Å; P257-F260 HydrophobicContact CG-CZ 4.38Å; P257-F260 PolarHBondContact O-N 3.35Å; P257-L261 VanDerWaalsContact O-CB 3.29Å; P257-L261 WeakPolarHBondContact O-CB 3.35Å; P257-L261 WeakPolarHBondContact O-CG 3.35Å; P257-L261 PolarHBondContact O-N 3.48Å
258S98.4Very high98.2Very high1 Ų118.7 Ų18.71%0.0079%0.094CC..Hα-helixtrans-60.5-32.7173.447.30000112.7Y73 L75 H256 Y262 Y267 E269Y73-S258 WeakPolarHBondContact OH-CB 3.48Å; L75-S258 WeakPolarHBondContact CD2-O 3.29Å; H256-S258 WeakPolarHBondContact CB-OG 3.33Å; H256-S258 PolarHBondContact O-N 2.88Å; S258-Y262 PolarHBondContact O-N 3.47Å; S258-Y267 PolarHBondContact OG-OH 3.37Å; S258-E269 PolarHBondContact OG-OE2 3.49Å
259F98.4Very high98.2Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-72.4-55.8175.8-168.2-82.1000111.2V252 A254 H256 P257 L261 Y262 Y267 W300 F304 I310 M312V252-F259 HydrophobicContact CG2-CE2 4.28Å; V252-F259 HydrophobicContact CG2-CZ 4.19Å; A254-F259 HydrophobicContact CB-CD1 3.57Å; A254-F259 HydrophobicContact CB-CD2 4.34Å; A254-F259 HydrophobicContact CB-CE1 3.6Å; A254-F259 HydrophobicContact CB-CE2 4.35Å; A254-F259 HydrophobicContact CB-CG 3.97Å; A254-F259 HydrophobicContact CB-CZ 4Å; H256-F259 WeakPolarHBondContact O-CA 3.13Å; H256-F259 WeakPolarHBondContact O-CB 3.47Å; H256-F259 PolarHBondContact O-N 2.81Å; P257-F259 PolarHBondContact O-N 3.5Å; F259-L261 VanDerWaalsContact C-N 3.26Å; F259-L261 PolarHBondContact O-N 3.19Å; F259-Y262 WeakPolarHBondContact O-CB 3.36Å; F259-Y262 PolarHBondContact O-N 3.34Å; F259-Y262 VanDerWaalsContact O-N 3.12Å; F259-Y267 HydrophobicContact CB-CE2 4.25Å; F259-Y267 HydrophobicContact CD2-CD1 4.37Å; F259-Y267 AromaticContact CD2-CE1 3.79Å; F259-Y267 HydrophobicContact CD2-CE1 3.79Å; F259-Y267 AromaticContact CD2-CZ 3.87Å; F259-W300 AromaticContact CD1-CH2 3.77Å; F259-W300 HydrophobicContact CD1-CH2 3.77Å; F259-W300 AromaticContact CD1-CZ3 3.74Å; F259-W300 HydrophobicContact CD1-CZ3 3.74Å; F259-W300 AromaticContact CE1-CH2 3.7Å; F259-W300 HydrophobicContact CE1-CH2 3.7Å; F259-W300 AromaticContact CE1-CZ3 3.72Å; F259-W300 HydrophobicContact CE1-CZ3 3.72Å; F259-F304 HydrophobicContact CE1-CZ 4.17Å; F259-F304 WeakPolarHBondContact O-CE2 3.47Å; F259-I310 HydrophobicContact CD2-CD1 4.07Å; F259-I310 HydrophobicContact CE2-CD1 3.85Å; F259-I310 HydrophobicContact CZ-CD1 4.26Å; F259-I310 HydrophobicContact CZ-CG2 4.47Å; F259-M312 HydrophobicContact CE2-CE 3.95Å; F259-M312 HydrophobicContact CE2-SD 4.03Å
260F96.5Very high98.1Very high0 Ų024.4 Ų24.40%013%0.129CC..Hα-helixtrans-74.1-17.5-172.772.9-106.4000114.1N78 L80 S85 V88 H256 P257 W300N78-F260 PolarHBondContact ND2-O 3.02Å; L80-F260 HydrophobicContact CB-CD2 4.09Å; L80-F260 HydrophobicContact CD1-CB 4.02Å; S85-F260 WeakPolarHBondContact OG-CE1 3.35Å; V88-F260 HydrophobicContact CG1-CB 4.13Å; V88-F260 HydrophobicContact CG2-CD1 4.33Å; V88-F260 HydrophobicContact CG2-CD2 4.28Å; V88-F260 HydrophobicContact CG2-CG 4.16Å; H256-F260 WeakPolarHBondContact O-CD1 3.28Å; H256-F260 PolarHBondContact O-N 3.43Å; P257-F260 HydrophobicContact CB-CE1 3.87Å; P257-F260 HydrophobicContact CB-CZ 3.96Å; P257-F260 HydrophobicContact CG-CE1 4.06Å; P257-F260 HydrophobicContact CG-CZ 4.38Å; P257-F260 PolarHBondContact O-N 3.35Å; F260-W300 HydrophobicContact CB-CH2 4.3Å; F260-W300 HydrophobicContact CB-CZ3 3.82Å
261L98.7Very high98.1Very high0 Ų028 Ų280%015%0.154CC..THydrogen-bonded Turntrans-100.35.4171.8-58.4171.9000113.1N55 F58 V59 L75 G76 P257 F259 R263N55-L261 HydrophobicContact CB-CD1 4.03Å; F58-L261 HydrophobicContact CD1-CD1 4.18Å; V59-L261 HydrophobicContact CG2-CB 4.3Å; V59-L261 HydrophobicContact CG2-CD1 3.84Å; L75-L261 CarbonylContact C-O 3.31Å; L75-L261 VanDerWaalsContact CA-O 3.27Å; L75-L261 WeakPolarHBondContact CA-O 3.49Å; L75-L261 HydrophobicContact CB-CB 4.35Å; L75-L261 HydrophobicContact CD2-CB 4.36Å; G76-L261 PolarHBondContact N-O 2.89Å; P257-L261 VanDerWaalsContact O-CB 3.29Å; P257-L261 WeakPolarHBondContact O-CB 3.35Å; P257-L261 WeakPolarHBondContact O-CG 3.35Å; P257-L261 PolarHBondContact O-N 3.48Å; F259-L261 VanDerWaalsContact C-N 3.26Å; F259-L261 PolarHBondContact O-N 3.19Å; L261-R263 PolarHBondContact O-N 3.45Å
262Y98.9Very high98Very high1 Ų129 Ų290%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-50.8132.3176.4168-91.8000110.6Y73 S258 F259 G265 Y267 F304 G305 E306 Y309 I310 R311Y73-Y262 AromaticContact CD2-CD2 3.99Å; Y73-Y262 HydrophobicContact CD2-CD2 3.99Å; S258-Y262 PolarHBondContact O-N 3.47Å; F259-Y262 WeakPolarHBondContact O-CB 3.36Å; F259-Y262 PolarHBondContact O-N 3.34Å; F259-Y262 VanDerWaalsContact O-N 3.12Å; Y262-G265 WeakPolarHBondContact CE2-O 3.4Å; Y262-G265 PolarHBondContact OH-N 3.08Å; Y262-G265 PolarHBondContact OH-O 3.22Å; Y262-Y267 HydrophobicContact CD2-CD2 4.2Å; Y262-F304 HydrophobicContact CD1-CZ 4.29Å; Y262-G305 VanDerWaalsContact CD1-CA 3.49Å; Y262-G305 VanDerWaalsContact O-CA 3.31Å; Y262-G305 WeakPolarHBondContact O-CA 3.43Å; Y262-G305 PolarHBondContact O-N 3.18Å; Y262-E306 HydrophobicContact CE1-CG 4.13Å; Y262-E306 PolarHBondContact OH-OE1 3.47Å; Y262-E306 VanDerWaalsContact OH-OE1 3.13Å; Y262-E306 PolarHBondContact OH-OE2 2.78Å; Y262-Y309 WeakPolarHBondContact CE1-O 3.41Å; Y262-I310 HydrophobicContact CD1-CB 3.87Å; Y262-I310 HydrophobicContact CD1-CD1 3.86Å; Y262-I310 HydrophobicContact CD1-CG1 3.68Å; Y262-I310 HydrophobicContact CD2-CD1 3.92Å; Y262-I310 HydrophobicContact CD2-CG1 3.98Å; Y262-I310 HydrophobicContact CE1-CB 3.73Å; Y262-I310 HydrophobicContact CE1-CD1 4.33Å; Y262-I310 HydrophobicContact CE1-CG1 3.64Å; Y262-I310 HydrophobicContact CE2-CD1 4.35Å; Y262-I310 HydrophobicContact CE2-CG1 3.9Å; Y262-I310 HydrophobicContact CG-CD1 3.64Å; Y262-I310 HydrophobicContact CG-CG1 3.86Å; Y262-R311 PolarHBondContact OH-N 2.93Å
263R98.8Very high97.9Very high122 Ų12231.5 Ų31.546%0.4618%0.176SC..EExtended strand (participates in β ladder)trans-110.4-58.4175.4178.417575.5-176.35.8111D74 L261 G305 E306D74-R263 VanDerWaalsContact CG-NE 3.34Å; D74-R263 PolarHBondContact O-N 3.34Å; D74-R263 WeakPolarHBondContact OD1-CB 3.25Å; D74-R263 IonicContact OD1-NE 3.65Å; D74-R263 PolarHBondContact OD1-NE 3.26Å; D74-R263 IonicContact OD2-CZ 3.79Å; D74-R263 IonicContact OD2-NE 3.26Å; D74-R263 PolarHBondContact OD2-NE 2.04Å; D74-R263 IonicContact OD2-NH2 3.52Å; D74-R263 PolarHBondContact OD2-NH2 3.41Å; L261-R263 PolarHBondContact O-N 3.45Å; R263-G305 CarbonylContact O-C 3.53Å; R263-G305 WeakPolarHBondContact O-CA 3.4Å; R263-E306 WeakPolarHBondContact O-CG 3.48Å; R263-E306 PolarHBondContact O-N 2.95Å
264S98.9Very high97.8Very high39 Ų3935 Ų3527%0.27319%0.193SC..EExtended strand (participates in β ladder)trans-159.5165.7-176.970.80000113.6Y73 D74 E306Y73-S264 CarbonylContact C-O 3.11Å; Y73-S264 WeakPolarHBondContact CA-O 3.14Å; Y73-S264 WeakPolarHBondContact CB-O 3.41Å; D74-S264 VanDerWaalsContact CG-OG 3.31Å; D74-S264 PolarHBondContact N-O 3.49Å; D74-S264 WeakPolarHBondContact OD1-CA 3.28Å; D74-S264 WeakPolarHBondContact OD1-CB 3.48Å; D74-S264 PolarHBondContact OD1-N 2.55Å; D74-S264 VanDerWaalsContact OD1-O 3.12Å; D74-S264 PolarHBondContact OD1-OG 3.11Å; D74-S264 PolarHBondContact OD2-OG 3.31Å; S264-E306 WeakPolarHBondContact CA-OE1 3.39Å; S264-E306 VanDerWaalsContact CB-OE1 3.3Å; S264-E306 WeakPolarHBondContact CB-OE1 3.36Å
265G98.8Very high97.8Very high9 Ų941.1 Ų41.19%0.09323%0.225CC..EExtended strand (participates in β ladder)trans97.3-167.5178.200000113.3Y262 E306 R311Y262-G265 WeakPolarHBondContact CE2-O 3.4Å; Y262-G265 PolarHBondContact OH-N 3.08Å; Y262-G265 PolarHBondContact OH-O 3.22Å; G265-E306 PolarHBondContact N-OE1 2.93Å; G265-R311 WeakPolarHBondContact O-CB 3.29Å
266V98.9Very high97.9Very high4 Ų439.5 Ų39.52%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-94.3106179.6-178.40000109.3S72 Y268 L288 K291 Y293 R311 A313S72-V266 WeakPolarHBondContact CB-O 3.5Å; S72-V266 PolarHBondContact O-N 2.86Å; S72-V266 PolarHBondContact OG-O 3.36Å; V266-Y268 PolarHBondContact O-N 2.82Å; V266-L288 HydrophobicContact CG2-CB 3.97Å; V266-L288 HydrophobicContact CG2-CD2 4.07Å; V266-K291 HydrophobicContact CB-CB 4.17Å; V266-K291 HydrophobicContact CG1-CB 4.25Å; V266-K291 HydrophobicContact CG2-CB 3.96Å; V266-Y293 HydrophobicContact CG2-CD1 4.11Å; V266-Y293 HydrophobicContact CG2-CG 4.47Å; V266-R311 CarbonylContact C-O 3.59Å; V266-R311 WeakPolarHBondContact CA-O 3.2Å; V266-A313 HydrophobicContact CG1-CB 4.27Å
267Y98.9Very high97.8Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-64.9123.4179.7177.9-98.9000111.2Y73 S258 F259 Y262 E269 I310 R311 M312 A313 H319Y73-Y267 AromaticContact CD2-CD2 3.92Å; Y73-Y267 HydrophobicContact CD2-CD2 3.92Å; Y73-Y267 HydrophobicContact CE1-CD2 4.39Å; Y73-Y267 AromaticContact CE2-CD2 3.57Å; Y73-Y267 HydrophobicContact CE2-CD2 3.57Å; Y73-Y267 AromaticContact CE2-CE2 3.93Å; Y73-Y267 HydrophobicContact CE2-CE2 3.93Å; Y73-Y267 HydrophobicContact CG-CD2 4.43Å; Y73-Y267 AromaticContact CZ-CD2 3.86Å; S258-Y267 PolarHBondContact OG-OH 3.37Å; F259-Y267 HydrophobicContact CB-CE2 4.25Å; F259-Y267 HydrophobicContact CD2-CD1 4.37Å; F259-Y267 AromaticContact CD2-CE1 3.79Å; F259-Y267 HydrophobicContact CD2-CE1 3.79Å; F259-Y267 AromaticContact CD2-CZ 3.87Å; Y262-Y267 HydrophobicContact CD2-CD2 4.2Å; Y267-E269 HydrophobicContact CE1-CB 4.03Å; Y267-E269 HydrophobicContact CE2-CB 4.2Å; Y267-E269 WeakPolarHBondContact OH-CB 3.3Å; Y267-I310 HydrophobicContact CD1-CD1 4.2Å; Y267-I310 HydrophobicContact CD2-CD1 4.26Å; Y267-I310 HydrophobicContact CG-CD1 3.83Å; Y267-R311 WeakPolarHBondContact CB-O 3.46Å; Y267-R311 PolarHBondContact N-O 3.24Å; Y267-M312 HydrophobicContact CD1-CE 4.3Å; Y267-M312 HydrophobicContact CD1-CG 4.43Å; Y267-M312 HydrophobicContact CE1-CE 4.46Å; Y267-A313 WeakPolarHBondContact O-CB 3.07Å; Y267-A313 PolarHBondContact O-N 2.92Å; Y267-H319 AromaticContact CE1-NE2 3.98Å
268Y98.8Very high97.9Very high95 Ų9537.4 Ų37.437%0.37320%0.201SC..  trans-143.8113.9171.3179.8-100.9000109.7Y73 V266 P270 A313 K316 H319Y73-Y268 VanDerWaalsContact CE1-O 3.31Å; Y73-Y268 WeakPolarHBondContact CE1-O 3.45Å; V266-Y268 PolarHBondContact O-N 2.82Å; Y268-P270 HydrophobicContact CD1-CG 4.35Å; Y268-P270 HydrophobicContact CE1-CG 3.95Å; Y268-A313 HydrophobicContact CD2-CB 3.9Å; Y268-K316 HydrophobicContact CD2-CB 4.46Å; Y268-K316 HydrophobicContact CE2-CB 4.18Å; Y268-H319 WeakPolarHBondContact CA-NE2 3.49Å; Y268-H319 AromaticContact CD2-CE1 3.42Å; Y268-H319 VanDerWaalsContact CD2-CE1 3.42Å; Y268-H319 WeakPolarHBondContact CD2-CE1 3.49Å; Y268-H319 AromaticContact CD2-CG 3.97Å; Y268-H319 AromaticContact CD2-ND1 3.52Å; Y268-H319 AromaticContact CD2-NE2 3.83Å; Y268-H319 AromaticContact CE2-CE1 3.75Å; Y268-H319 AromaticContact CE2-ND1 3.53Å
269E98.3Very high97.9Very high26 Ų2637.3 Ų37.312%0.12120%0.201CC..  trans-111.7106.917817252.5-111.200110.4H256 S258 Y267 S271 C272 H319H256-E269 HydrophobicContact CB-CG 4.15Å; S258-E269 PolarHBondContact OG-OE2 3.49Å; Y267-E269 HydrophobicContact CE1-CB 4.03Å; Y267-E269 HydrophobicContact CE2-CB 4.2Å; Y267-E269 WeakPolarHBondContact OH-CB 3.3Å; E269-S271 PolarHBondContact O-N 3.18Å; E269-S271 WeakPolarHBondContact OE1-CB 3.13Å; E269-S271 PolarHBondContact OE1-N 2.84Å; E269-S271 PolarHBondContact OE1-OG 3.48Å; E269-C272 HydrophobicContact CB-CB 4.25Å; E269-C272 HydrophobicContact CG-CB 4.35Å; E269-C272 VanDerWaalsContact O-CB 3.28Å; E269-C272 WeakPolarHBondContact O-CB 3.4Å; E269-C272 PolarHBondContact O-N 3.09Å; E269-H319 PolarHBondContact N-CE1 3Å; E269-H319 PolarHBondContact N-NE2 3.47Å; E269-H319 VanDerWaalsContact N-NE2 3.16Å; E269-H319 PolarHBondContact O-CE1 2.88Å
270P97.9Very high97.9Very high94 Ų9437.5 Ų37.561%0.6120%0.202SC*.THydrogen-bonded Turntrans-52.8-28.7179.8-26.434.1000114.1Y268 C272Y268-P270 HydrophobicContact CD1-CG 4.35Å; Y268-P270 HydrophobicContact CE1-CG 3.95Å; P270-C272 VanDerWaalsContact C-N 3.34Å
271S97.5Very high98Very high74 Ų7437.8 Ų37.852%0.51720%0.203SC..THydrogen-bonded Turntrans-82.6-6.8179.5-40.10000114H256 E269 T273H256-S271 PolarHBondContact CE1-O 3.14Å; H256-S271 VanDerWaalsContact CE1-O 3.3Å; H256-S271 PolarHBondContact NE2-O 3.31Å; E269-S271 PolarHBondContact O-N 3.18Å; E269-S271 WeakPolarHBondContact OE1-CB 3.13Å; E269-S271 PolarHBondContact OE1-N 2.84Å; E269-S271 PolarHBondContact OE1-OG 3.48Å; S271-T273 PolarHBondContact O-N 3.11Å
272C97.1Very high98Very high21 Ų2137.8 Ų37.814%0.14220%0.203CC..  trans-60.2136.9179.5-115.20000110.3H256 E269 P270 C320H256-C272 WeakPolarHBondContact NE2-CA 3.22Å; E269-C272 HydrophobicContact CB-CB 4.25Å; E269-C272 HydrophobicContact CG-CB 4.35Å; E269-C272 VanDerWaalsContact O-CB 3.28Å; E269-C272 WeakPolarHBondContact O-CB 3.4Å; E269-C272 PolarHBondContact O-N 3.09Å; P270-C272 VanDerWaalsContact C-N 3.34Å; C272-C320 HydrophobicContact CB-CB 3.92Å; C272-C320 WeakPolarHBondContact CB-SG 3.32Å; C272-C320 WeakPolarHBondContact SG-CB 3.44Å; C272-C320 CovalentContact SG-SG 2.04Å; C272-C320 PolarHBondContact SG-SG 2.7Å
273T97.2Very high98Very high54 Ų5437.7 Ų37.733%0.33120%0.203SC..  trans-103.9176.8177.474.80000111.2D253 S271 N275 C320 G321D253-T273 WeakPolarHBondContact CB-O 3.49Å; D253-T273 WeakPolarHBondContact OD2-CB 3.15Å; D253-T273 PolarHBondContact OD2-N 3.1Å; D253-T273 PolarHBondContact OD2-OG1 2.9Å; S271-T273 PolarHBondContact O-N 3.11Å; T273-N275 VanDerWaalsContact C-N 3.29Å; T273-N275 WeakPolarHBondContact OG1-CB 3.25Å; T273-N275 PolarHBondContact OG1-N 2.97Å; T273-N275 VanDerWaalsContact OG1-N 3.11Å; T273-C320 CarbonylContact O-C 3.1Å; T273-C320 WeakPolarHBondContact O-CA 3.23Å; T273-G321 PolarHBondContact O-N 3.41Å
274Q96.2Very high98.1Very high78 Ų7831.9 Ų31.936%0.36418%0.181SC..SBendtrans-92.78.3168.5-62.2177.911.800111.8Y232 V276 G317Y232-Q274 PolarHBondContact OH-OE1 3.01Å; Q274-V276 PolarHBondContact O-N 3.08Å; Q274-V276 VanDerWaalsContact O-N 3.1Å; Q274-G317 PolarHBondContact NE2-O 2.73Å
275N95.6Very high98.1Very high127 Ų12730.1 Ų30.168%0.67917%0.168SC*.  trans-82.282175-61.8-36.7000109.7T273 N277T273-N275 VanDerWaalsContact C-N 3.29Å; T273-N275 WeakPolarHBondContact OG1-CB 3.25Å; T273-N275 PolarHBondContact OG1-N 2.97Å; T273-N275 VanDerWaalsContact OG1-N 3.11Å; N275-N277 PolarHBondContact O-ND2 2.89Å
276V97.1Very high98.1Very high11 Ų1129.7 Ų29.77%0.06716%0.164CC..  trans-66.9137.7-176.1-56.40000111.9L95 V97 G251 V252 Q274 F325L95-V276 HydrophobicContact CD2-CB 4.31Å; L95-V276 HydrophobicContact CD2-CG2 3.84Å; V97-V276 HydrophobicContact CG2-CG2 3.58Å; V97-V276 WeakPolarHBondContact CG2-O 3.39Å; G251-V276 VanDerWaalsContact C-CG1 3.49Å; G251-V276 WeakPolarHBondContact O-CG1 3.41Å; V252-V276 WeakPolarHBondContact O-CA 3.39Å; Q274-V276 PolarHBondContact O-N 3.08Å; Q274-V276 VanDerWaalsContact O-N 3.1Å; V276-F325 HydrophobicContact CG2-CD2 3.56Å; V276-F325 HydrophobicContact CG2-CE2 3.84Å
277N96.6Very high98Very high29 Ų2933 Ų3316%0.15518%0.184CC..  trans-132.1-13.1-17747.651.3000112.7S93 L95 V252 D253 A254 S255 N275S93-N277 CarbonylContact C-O 3.47Å; S93-N277 VanDerWaalsContact C-O 3.24Å; S93-N277 WeakPolarHBondContact CB-O 3.47Å; L95-N277 VanDerWaalsContact CB-C 3.48Å; L95-N277 VanDerWaalsContact CB-O 3.25Å; L95-N277 WeakPolarHBondContact CB-O 3.44Å; L95-N277 PolarHBondContact N-O 3.26Å; V252-N277 PolarHBondContact O-N 2.73Å; V252-N277 PolarHBondContact O-OD1 3.5Å; D253-N277 PolarHBondContact OD1-ND2 3.39Å; A254-N277 PolarHBondContact N-OD1 3.29Å; S255-N277 PolarHBondContact OG-ND2 2.89Å; N275-N277 PolarHBondContact O-ND2 2.89Å
278H98.4Very high98Very high0 Ų035.3 Ų35.30%020%0.196CC..EExtended strand (participates in β ladder)trans-126.2135.4-176.8-171.938.4000112.1C139 G251 V252 A254 V280 N298 W300C139-H278 WeakPolarHBondContact CB-CE1 2.88Å; C139-H278 WeakPolarHBondContact CB-ND1 3.19Å; G251-H278 CarbonylContact C-O 3.37Å; G251-H278 VanDerWaalsContact CA-O 3.29Å; G251-H278 WeakPolarHBondContact CA-O 3.27Å; V252-H278 HydrophobicContact CG2-CB 4.21Å; V252-H278 PolarHBondContact N-O 2.83Å; V252-H278 PolarHBondContact O-N 2.93Å; A254-H278 HydrophobicContact CB-CB 3.6Å; H278-V280 WeakPolarHBondContact CD2-CG1 3.47Å; H278-V280 WeakPolarHBondContact NE2-CG1 3.27Å; H278-N298 PolarHBondContact NE2-OD1 3.38Å; H278-W300 AromaticContact CD2-CZ2 3.75Å; H278-W300 AromaticContact CE1-CE2 3.72Å; H278-W300 AromaticContact CE1-CZ2 3.82Å; H278-W300 AromaticContact CE1-NE1 3.32Å; H278-W300 PolarHBondContact CE1-NE1 3.28Å; H278-W300 VanDerWaalsContact CE1-NE1 3.32Å; H278-W300 AromaticContact NE2-CE2 3.51Å; H278-W300 AromaticContact NE2-CZ2 3.53Å; H278-W300 AromaticContact NE2-NE1 3.51Å
279G98.5Very high97.9Very high0 Ų038 Ų380%022%0.217CC..EExtended strand (participates in β ladder)trans-95.1123.2178.500000111.2C139C139-G279 PolarHBondContact SG-N 3.19Å; C139-G279 VanDerWaalsContact SG-N 3.43Å
280V98.8Very high97.8Very high3 Ų340 Ų402%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-136176.1-178.2-63.10000110.8S143 V250 V252 H278 V296S143-V280 PolarHBondContact OG-O 2.98Å; V250-V280 HydrophobicContact CG2-CG2 3.51Å; V250-V280 PolarHBondContact N-O 2.86Å; V250-V280 PolarHBondContact O-N 3.5Å; V252-V280 HydrophobicContact CG1-CG2 3.91Å; V252-V280 HydrophobicContact CG2-CG1 4.26Å; V252-V280 HydrophobicContact CG2-CG2 3.93Å; H278-V280 WeakPolarHBondContact CD2-CG1 3.47Å; H278-V280 WeakPolarHBondContact NE2-CG1 3.27Å; V280-V296 HydrophobicContact CB-CG1 3.56Å; V280-V296 HydrophobicContact CG1-CG1 4.29Å; V280-V296 HydrophobicContact CG2-CG1 3.41Å; V280-V296 VanDerWaalsContact CG2-CG1 3.41Å
281L98.9Very high97.9Very high6 Ų640.6 Ų40.63%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-122.9118.6-178-177.876.7000110.7A147 P247 V283 V296 K297A147-L281 HydrophobicContact CB-CD1 3.72Å; P247-L281 HydrophobicContact CB-CD1 3.87Å; P247-L281 HydrophobicContact CB-CD2 4Å; P247-L281 HydrophobicContact CB-CG 3.97Å; L281-V283 HydrophobicContact CB-CG1 4.49Å; L281-V283 HydrophobicContact CD2-CG1 3.52Å; L281-V283 HydrophobicContact CG-CG1 3.77Å; L281-V283 PolarHBondContact O-N 3.5Å; L281-V296 CarbonylContact O-C 3.54Å; L281-V296 WeakPolarHBondContact O-CA 3.18Å; L281-K297 HydrophobicContact CB-CB 4.26Å; L281-K297 HydrophobicContact CD2-CD 4.29Å; L281-K297 PolarHBondContact N-O 3.45Å; L281-K297 PolarHBondContact O-N 3.39Å
282V98.9Very high97.9Very high0 Ų040.6 Ų40.60%023%0.229CC..EExtended strand (participates in β ladder)trans-77115.4169.4178.50000107.9V242 P247 V248 V250 G284 W294 V296 I322V242-V282 HydrophobicContact CG1-CG1 4.43Å; V242-V282 HydrophobicContact CG2-CB 4.36Å; V242-V282 HydrophobicContact CG2-CG1 3.69Å; P247-V282 CarbonylContact C-O 3.59Å; P247-V282 WeakPolarHBondContact CA-O 3.19Å; V248-V282 PolarHBondContact N-O 3.46Å; V248-V282 PolarHBondContact O-N 3.43Å; V250-V282 HydrophobicContact CB-CG2 4.41Å; V250-V282 HydrophobicContact CG1-CG2 3.76Å; V250-V282 HydrophobicContact CG2-CG2 3.71Å; V282-G284 WeakPolarHBondContact CG1-O 3.18Å; V282-W294 HydrophobicContact CG1-CD2 4.32Å; V282-W294 HydrophobicContact CG1-CE3 3.55Å; V282-W294 HydrophobicContact CG1-CZ3 4.17Å; V282-V296 HydrophobicContact CG2-CG2 4.34Å; V282-I322 HydrophobicContact CG2-CD1 4.1Å; V282-I322 HydrophobicContact CG2-CG1 4.31Å
283V98.9Very high98Very high0 Ų041.4 Ų41.40%023%0.23CC..EExtended strand (participates in β ladder)trans-109.96.8-178.6-60.80000112.6W121 V127 P247 L281 L295 K297 Y309W121-V283 WeakPolarHBondContact CB-O 3.07Å; W121-V283 PolarHBondContact N-O 3.07Å; V127-V283 HydrophobicContact CG1-CG1 4.1Å; V127-V283 HydrophobicContact CG2-CB 3.93Å; V127-V283 HydrophobicContact CG2-CG1 3.81Å; P247-V283 HydrophobicContact CB-CG1 4.16Å; P247-V283 HydrophobicContact CG-CB 4.5Å; P247-V283 HydrophobicContact CG-CG1 4.31Å; L281-V283 HydrophobicContact CB-CG1 4.49Å; L281-V283 HydrophobicContact CD2-CG1 3.52Å; L281-V283 HydrophobicContact CG-CG1 3.77Å; L281-V283 PolarHBondContact O-N 3.5Å; V283-L295 HydrophobicContact CG2-CB 4.33Å; V283-L295 HydrophobicContact CG2-CD2 3.82Å; V283-L295 HydrophobicContact CG2-CG 3.7Å; V283-L295 WeakPolarHBondContact CG2-O 3.45Å; V283-L295 PolarHBondContact N-O 3.41Å; V283-K297 HydrophobicContact CG1-CB 4Å; V283-Y309 HydrophobicContact CG2-CD1 4.26Å; V283-Y309 HydrophobicContact CG2-CE1 3.92Å
284G98.9Very high98.1Very high0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans166.2-176.3-175.600000113V119 V282 L295V119-G284 CarbonylContact O-C 3.56Å; V119-G284 WeakPolarHBondContact O-CA 3.48Å; V282-G284 WeakPolarHBondContact CG1-O 3.18Å; G284-L295 PolarHBondContact O-N 3.33Å
285Y98.9Very high98.2Very high2 Ų235.4 Ų35.41%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-158.1161.6175.758-101.5000109.8P116 D117 S118 V119 K239 V242 A243 Y293 W294P116-Y285 WeakPolarHBondContact O-CE2 3.47Å; P116-Y285 PolarHBondContact O-OH 2.8Å; D117-Y285 WeakPolarHBondContact O-CE2 3.4Å; S118-Y285 CarbonylContact C-O 3.09Å; S118-Y285 VanDerWaalsContact CA-O 3.25Å; S118-Y285 WeakPolarHBondContact CA-O 3.47Å; V119-Y285 HydrophobicContact CB-CD1 4.26Å; V119-Y285 HydrophobicContact CB-CE1 3.92Å; V119-Y285 HydrophobicContact CB-CE2 4.48Å; V119-Y285 HydrophobicContact CG2-CE1 3.74Å; V119-Y285 HydrophobicContact CG2-CE2 4.14Å; V119-Y285 VanDerWaalsContact CG2-CZ 3.5Å; V119-Y285 WeakPolarHBondContact CG2-OH 3.37Å; V119-Y285 PolarHBondContact N-O 3.32Å; V119-Y285 PolarHBondContact O-N 2.82Å; K239-Y285 HydrophobicContact CD-CE2 4.23Å; K239-Y285 HydrophobicContact CG-CD1 3.96Å; K239-Y285 HydrophobicContact CG-CD2 4.33Å; K239-Y285 HydrophobicContact CG-CE1 3.54Å; K239-Y285 HydrophobicContact CG-CE2 3.98Å; K239-Y285 HydrophobicContact CG-CG 4.33Å; V242-Y285 HydrophobicContact CB-CD1 4.2Å; V242-Y285 HydrophobicContact CB-CE1 4.27Å; V242-Y285 HydrophobicContact CG1-CD1 3.8Å; V242-Y285 HydrophobicContact CG1-CE1 4.06Å; A243-Y285 HydrophobicContact CB-CE1 4.23Å; A243-Y285 WeakPolarHBondContact CB-OH 3.34Å; Y285-Y293 VanDerWaalsContact CA-O 3.24Å; Y285-Y293 WeakPolarHBondContact CA-O 3.19Å; Y285-Y293 VanDerWaalsContact CB-O 3.29Å; Y285-Y293 WeakPolarHBondContact CB-O 3.31Å; Y285-W294 AromaticContact CD1-CZ3 3.88Å; Y285-W294 HydrophobicContact CD1-CZ3 3.88Å; Y285-W294 HydrophobicContact CG-CZ3 4.22Å
286G98.8Very high98.4Very high0 Ų029.3 Ų29.30%017%0.166CC..EExtended strand (participates in β ladder)trans-173.4-155.5175.600000113.2S118 E292 Y293 R314S118-G286 VanDerWaalsContact OG-CA 3.29Å; S118-G286 WeakPolarHBondContact OG-CA 3.31Å; G286-E292 WeakPolarHBondContact O-CA 3.39Å; G286-Y293 PolarHBondContact N-O 2.85Å; G286-Y293 PolarHBondContact O-N 3.2Å; G286-R314 PolarHBondContact O-NH2 3.08Å
287V98.6Very high98.5Very high73 Ų7329.6 Ų29.644%0.44217%0.166SC..EExtended strand (participates in β ladder)trans-136131.9177.8-172.40000109.4K291 E292V287-K291 CarbonylContact C-O 3.58Å; V287-K291 WeakPolarHBondContact CA-O 3.43Å; V287-E292 HydrophobicContact CG2-CG 4.18Å
288L98.1Very high98.6Very high48 Ų4828.4 Ų28.425%0.25116%0.16SC..EExtended strand (participates in β ladder)trans-125120.3172-179.273.6000108.6V266 G290 K291 Y293V266-L288 HydrophobicContact CG2-CB 3.97Å; V266-L288 HydrophobicContact CG2-CD2 4.07Å; L288-G290 PolarHBondContact O-N 3.14Å; L288-K291 PolarHBondContact N-O 3.06Å; L288-K291 WeakPolarHBondContact O-CA 3.28Å; L288-K291 WeakPolarHBondContact O-CB 3.41Å; L288-K291 PolarHBondContact O-N 2.66Å; L288-Y293 HydrophobicContact CB-CD1 4.09Å; L288-Y293 HydrophobicContact CB-CE1 3.94Å
289N96.2Very high98.5Very high151 Ų15128.7 Ų28.781%0.80716%0.162SC*.THydrogen-bonded Turntrans50.243.3177.9-58-24.3000112.9K291N289-K291 PolarHBondContact O-N 2.57Å
290G97.3Very high98.5Very high69 Ų6928.7 Ų28.771%0.71116%0.162SC*.THydrogen-bonded Turntrans74.33.9-177.500000115.5L288L288-G290 PolarHBondContact O-N 3.14Å
291K98.4Very high98.5Very high107 Ų10729 Ų2947%0.46517%0.166SC..EExtended strand (participates in β ladder)trans-101.4117.4175.5-55.1-64-175.3176.30110.2V266 V287 L288 N289V266-K291 HydrophobicContact CB-CB 4.17Å; V266-K291 HydrophobicContact CG1-CB 4.25Å; V266-K291 HydrophobicContact CG2-CB 3.96Å; V287-K291 CarbonylContact C-O 3.58Å; V287-K291 WeakPolarHBondContact CA-O 3.43Å; L288-K291 PolarHBondContact N-O 3.06Å; L288-K291 WeakPolarHBondContact O-CA 3.28Å; L288-K291 WeakPolarHBondContact O-CB 3.41Å; L288-K291 PolarHBondContact O-N 2.66Å; N289-K291 PolarHBondContact O-N 2.57Å
292E98.8Very high98.4Very high73 Ų7334.9 Ų34.934%0.34119%0.187SC..EExtended strand (participates in β ladder)trans-70.8138.1174.6-62.8-162.797.600111.2G286 V287 R314 N315G286-E292 WeakPolarHBondContact O-CA 3.39Å; V287-E292 HydrophobicContact CG2-CG 4.18Å; E292-R314 HydrophobicContact CB-CB 4.21Å; E292-R314 PolarHBondContact O-N 2.8Å; E292-R314 IonicContact OE1-CZ 2.92Å; E292-R314 IonicContact OE1-NH1 3.2Å; E292-R314 PolarHBondContact OE1-NH1 3.41Å; E292-R314 IonicContact OE1-NH2 2.66Å; E292-R314 PolarHBondContact OE1-NH2 3.12Å; E292-R314 IonicContact OE2-NH1 3.03Å; E292-N315 PolarHBondContact OE1-ND2 2.84Å; E292-N315 PolarHBondContact OE2-ND2 2.88Å
293Y98.9Very high98.4Very high39 Ų3939.9 Ų39.915%0.15321%0.214CC..EExtended strand (participates in β ladder)trans-139.3158.6-179.967.9-98.4000113.7V266 Y285 G286 L288 L295 R311 M312 R314V266-Y293 HydrophobicContact CG2-CD1 4.11Å; V266-Y293 HydrophobicContact CG2-CG 4.47Å; Y285-Y293 VanDerWaalsContact CA-O 3.24Å; Y285-Y293 WeakPolarHBondContact CA-O 3.19Å; Y285-Y293 VanDerWaalsContact CB-O 3.29Å; Y285-Y293 WeakPolarHBondContact CB-O 3.31Å; G286-Y293 PolarHBondContact N-O 2.85Å; G286-Y293 PolarHBondContact O-N 3.2Å; L288-Y293 HydrophobicContact CB-CD1 4.09Å; L288-Y293 HydrophobicContact CB-CE1 3.94Å; Y293-L295 HydrophobicContact CD2-CB 4.47Å; Y293-L295 HydrophobicContact CE2-CB 4.14Å; Y293-R311 HydrophobicContact CD2-CB 3.88Å; Y293-R311 HydrophobicContact CD2-CG 3.67Å; Y293-R311 HydrophobicContact CE2-CG 3.85Å; Y293-R311 HydrophobicContact CG-CB 3.94Å; Y293-R311 HydrophobicContact CG-CG 4.11Å; Y293-M312 CarbonylContact C-O 3.15Å; Y293-M312 WeakPolarHBondContact CA-O 3.25Å; Y293-M312 WeakPolarHBondContact CB-O 3.38Å; Y293-R314 PolarHBondContact O-NE 3.5Å; Y293-R314 VanDerWaalsContact O-NE 3.12Å
294W98.9Very high98.4Very high0 Ų039.9 Ų39.90%021%0.214CC..EExtended strand (participates in β ladder)trans-92.7132159.5-66110.9000109.3E235 L238 K239 V242 V282 Y285 V296 R311 M312 R314 I322E235-W294 HydrophobicContact CB-CZ2 4.12Å; E235-W294 PolarHBondContact OE2-NE1 2.99Å; L238-W294 HydrophobicContact CB-CH2 3.93Å; L238-W294 HydrophobicContact CB-CZ2 4.12Å; L238-W294 HydrophobicContact CD2-CD2 4.38Å; L238-W294 HydrophobicContact CD2-CH2 3.99Å; L238-W294 HydrophobicContact CD2-CZ2 3.76Å; L238-W294 HydrophobicContact CD2-CZ3 4.37Å; L238-W294 HydrophobicContact CG-CH2 3.66Å; L238-W294 HydrophobicContact CG-CZ2 3.93Å; L238-W294 HydrophobicContact CG-CZ3 4.02Å; K239-W294 HydrophobicContact CB-CH2 3.81Å; K239-W294 HydrophobicContact CB-CZ3 4.46Å; V242-W294 HydrophobicContact CG2-CZ3 4.3Å; V282-W294 HydrophobicContact CG1-CD2 4.32Å; V282-W294 HydrophobicContact CG1-CE3 3.55Å; V282-W294 HydrophobicContact CG1-CZ3 4.17Å; Y285-W294 AromaticContact CD1-CZ3 3.88Å; Y285-W294 HydrophobicContact CD1-CZ3 3.88Å; Y285-W294 HydrophobicContact CG-CZ3 4.22Å; W294-V296 HydrophobicContact CB-CG2 3.98Å; W294-R311 CarbonylContact O-C 3.53Å; W294-R311 VanDerWaalsContact O-CA 3.3Å; W294-R311 WeakPolarHBondContact O-CA 3.28Å; W294-M312 PolarHBondContact N-O 3.25Å; W294-M312 PolarHBondContact O-N 2.91Å; W294-R314 HydrophobicContact CD2-CB 4.29Å; W294-R314 HydrophobicContact CD2-CG 4.07Å; W294-R314 VanDerWaalsContact CE2-CG 3.46Å; W294-R314 HydrophobicContact CG-CB 4.09Å; W294-R314 HydrophobicContact CG-CG 4.38Å; W294-R314 HydrophobicContact CH2-CG 4.39Å; W294-R314 VanDerWaalsContact CZ2-CD 3.41Å; W294-R314 HydrophobicContact CZ2-CG 3.66Å; W294-I322 HydrophobicContact CB-CD1 3.75Å; W294-I322 HydrophobicContact CG-CD1 3.74Å
295L98.9Very high98.4Very high5 Ų540.8 Ų40.83%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-88.9112.7172.4-179.763.3000108.5D120 V283 G284 Y293 Y309 R311D120-L295 HydrophobicContact CB-CD2 4.35Å; D120-L295 WeakPolarHBondContact OD2-CD2 3.29Å; V283-L295 HydrophobicContact CG2-CB 4.33Å; V283-L295 HydrophobicContact CG2-CD2 3.82Å; V283-L295 HydrophobicContact CG2-CG 3.7Å; V283-L295 WeakPolarHBondContact CG2-O 3.45Å; V283-L295 PolarHBondContact N-O 3.41Å; G284-L295 PolarHBondContact O-N 3.33Å; Y293-L295 HydrophobicContact CD2-CB 4.47Å; Y293-L295 HydrophobicContact CE2-CB 4.14Å; L295-Y309 HydrophobicContact CD1-CD1 4.32Å; L295-R311 HydrophobicContact CD1-CG 4.24Å
296V98.9Very high98.3Very high0 Ų042.7 Ų42.70%023%0.232CC..EExtended strand (participates in β ladder)trans-117.6124.4-169.5-176.90000110.2V280 L281 V282 W294 Y309 I310 M312 I322V280-V296 HydrophobicContact CB-CG1 3.56Å; V280-V296 HydrophobicContact CG1-CG1 4.29Å; V280-V296 HydrophobicContact CG2-CG1 3.41Å; V280-V296 VanDerWaalsContact CG2-CG1 3.41Å; L281-V296 CarbonylContact O-C 3.54Å; L281-V296 WeakPolarHBondContact O-CA 3.18Å; V282-V296 HydrophobicContact CG2-CG2 4.34Å; W294-V296 HydrophobicContact CB-CG2 3.98Å; V296-Y309 CarbonylContact O-C 3.55Å; V296-Y309 VanDerWaalsContact O-CA 3.22Å; V296-Y309 WeakPolarHBondContact O-CA 3.4Å; V296-Y309 WeakPolarHBondContact O-CB 3.4Å; V296-Y309 WeakPolarHBondContact O-CD1 3.28Å; V296-I310 HydrophobicContact CB-CG2 3.83Å; V296-I310 WeakPolarHBondContact CB-O 3.39Å; V296-I310 HydrophobicContact CG1-CG2 4.14Å; V296-I310 PolarHBondContact N-O 2.85Å; V296-I310 PolarHBondContact O-N 3.06Å; V296-M312 HydrophobicContact CG2-CB 4.39Å; V296-M312 HydrophobicContact CG2-CG 4.07Å; V296-M312 HydrophobicContact CG2-SD 4.03Å; V296-I322 HydrophobicContact CG2-CD1 3.87Å
297K98.9Very high98.3Very high16 Ų1648 Ų487%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-83.7124.5170.8-175.2-179.2177.5179.80109.3V127 T128 E129 V130 L281 V283 Y309V127-K297 HydrophobicContact CG1-CD 3.69Å; T128-K297 WeakPolarHBondContact O-CE 3.42Å; T128-K297 PolarHBondContact O-NZ 3.02Å; T128-K297 PolarHBondContact OG1-NZ 3.16Å; E129-K297 PolarHBondContact O-NZ 3.21Å; E129-K297 VanDerWaalsContact O-NZ 3.13Å; V130-K297 HydrophobicContact CG2-CG 4.19Å; L281-K297 HydrophobicContact CB-CB 4.26Å; L281-K297 HydrophobicContact CD2-CD 4.29Å; L281-K297 PolarHBondContact N-O 3.45Å; L281-K297 PolarHBondContact O-N 3.39Å; V283-K297 HydrophobicContact CG1-CB 4Å; K297-Y309 HydrophobicContact CB-CD1 3.9Å; K297-Y309 HydrophobicContact CB-CE1 3.53Å; K297-Y309 HydrophobicContact CD-CE1 4.37Å; K297-Y309 HydrophobicContact CG-CD1 4.4Å; K297-Y309 HydrophobicContact CG-CE1 3.78Å
298N98.6Very high98.3Very high5 Ų544.5 Ų44.53%0.02724%0.236CC..  trans-97.2172.4174.4-157.3-5.8000111.1H278 W300 F304 G308H278-N298 PolarHBondContact NE2-OD1 3.38Å; N298-W300 VanDerWaalsContact ND2-CD2 3.32Å; N298-F304 HydrophobicContact CB-CD1 3.82Å; N298-F304 HydrophobicContact CB-CE1 3.78Å; N298-F304 WeakPolarHBondContact ND2-CD1 3.02Å; N298-F304 WeakPolarHBondContact ND2-CE1 3.15Å; N298-F304 VanDerWaalsContact ND2-CZ 3.35Å; N298-F304 WeakPolarHBondContact ND2-CZ 3.5Å; N298-G308 WeakPolarHBondContact CB-O 3.5Å; N298-G308 PolarHBondContact N-O 3.1Å
299S98.1Very high98.4Very high6 Ų643.1 Ų43.14%0.04223%0.227CC..SBendtrans-117.422.3179.1470000113K131 Y132 Q133K131-S299 CarbonylContact O-C 3.56Å; K131-S299 WeakPolarHBondContact O-CA 3.32Å; Y132-S299 CarbonylContact C-O 3.56Å; Y132-S299 WeakPolarHBondContact CA-O 3.31Å; Q133-S299 PolarHBondContact N-O 2.98Å; Q133-S299 PolarHBondContact OE1-OG 3.41Å
300W98Very high98.5Very high0 Ų035.9 Ų35.90%019%0.189CC..BIsolated β-bridgetrans-102.725.8-179.2-58.5-11.9000112.6H79 L80 V88 M89 M92 A254 F259 F260 H278 N298 F304H79-W300 PolarHBondContact CE1-O 3.05Å; H79-W300 PolarHBondContact NE2-O 2.81Å; L80-W300 HydrophobicContact CD1-CD2 4.36Å; L80-W300 HydrophobicContact CD1-CE3 3.76Å; L80-W300 HydrophobicContact CD1-CZ3 4.15Å; V88-W300 HydrophobicContact CG1-CH2 4Å; V88-W300 HydrophobicContact CG1-CZ2 4.19Å; V88-W300 HydrophobicContact CG1-CZ3 4.5Å; M89-W300 HydrophobicContact CE-CH2 4.39Å; M92-W300 HydrophobicContact CB-CZ2 4.43Å; M92-W300 HydrophobicContact CE-CB 3.77Å; M92-W300 HydrophobicContact CE-CD2 3.67Å; M92-W300 HydrophobicContact CE-CG 3.24Å; M92-W300 PolarHBondContact O-NE1 2.94Å; A254-W300 HydrophobicContact CB-CH2 4.22Å; F259-W300 AromaticContact CD1-CH2 3.77Å; F259-W300 HydrophobicContact CD1-CH2 3.77Å; F259-W300 AromaticContact CD1-CZ3 3.74Å; F259-W300 HydrophobicContact CD1-CZ3 3.74Å; F259-W300 AromaticContact CE1-CH2 3.7Å; F259-W300 HydrophobicContact CE1-CH2 3.7Å; F259-W300 AromaticContact CE1-CZ3 3.72Å; F259-W300 HydrophobicContact CE1-CZ3 3.72Å; F260-W300 HydrophobicContact CB-CH2 4.3Å; F260-W300 HydrophobicContact CB-CZ3 3.82Å; H278-W300 AromaticContact CD2-CZ2 3.75Å; H278-W300 AromaticContact CE1-CE2 3.72Å; H278-W300 AromaticContact CE1-CZ2 3.82Å; H278-W300 AromaticContact CE1-NE1 3.32Å; H278-W300 PolarHBondContact CE1-NE1 3.28Å; H278-W300 VanDerWaalsContact CE1-NE1 3.32Å; H278-W300 AromaticContact NE2-CE2 3.51Å; H278-W300 AromaticContact NE2-CZ2 3.53Å; H278-W300 AromaticContact NE2-NE1 3.51Å; N298-W300 VanDerWaalsContact ND2-CD2 3.32Å; W300-F304 HydrophobicContact CB-CB 4.1Å; W300-F304 HydrophobicContact CB-CG 4.3Å; W300-F304 AromaticContact CE3-CD2 3.64Å; W300-F304 HydrophobicContact CE3-CD2 3.64Å; W300-F304 AromaticContact CE3-CE2 3.66Å; W300-F304 HydrophobicContact CE3-CE2 3.66Å; W300-F304 HydrophobicContact CE3-CG 4.19Å; W300-F304 HydrophobicContact CE3-CZ 4.26Å; W300-F304 HydrophobicContact CZ3-CD2 4.23Å; W300-F304 AromaticContact CZ3-CE2 3.82Å; W300-F304 HydrophobicContact CZ3-CE2 3.82Å; W300-F304 HydrophobicContact CZ3-CZ 4.36Å
301G98.1Very high98.6Very high10 Ų1034.7 Ų34.710%0.10316%0.163CC..  trans74.6170.8179.400000113.5K131 N303 F304 G308K131-G301 WeakPolarHBondContact O-CA 3.43Å; K131-G301 PolarHBondContact O-N 3.11Å; G301-N303 VanDerWaalsContact C-N 3.27Å; G301-N303 PolarHBondContact O-N 2.87Å; G301-F304 PolarHBondContact O-N 2.68Å; G301-G308 WeakPolarHBondContact O-CA 3.29Å
302R98Very high98.6Very high128 Ų12829.6 Ų29.648%0.48314%0.141SC..THydrogen-bonded Turntrans-71-20.3-174.8-68.2-178.762.2166.1-6.4114.3E129 V130 F304 E307 G308E129-R302 IonicContact OE2-NH1 3.42Å; E129-R302 PolarHBondContact OE2-NH1 3.44Å; V130-R302 HydrophobicContact CB-CG 4.04Å; V130-R302 HydrophobicContact CG1-CG 4.49Å; R302-F304 PolarHBondContact O-N 3.19Å; R302-E307 IonicContact CZ-OE2 3.32Å; R302-E307 IonicContact NE-OE2 2.73Å; R302-E307 PolarHBondContact NE-OE2 2.81Å; R302-E307 IonicContact NH2-OE2 3.67Å; R302-E307 PolarHBondContact NH2-OE2 3.05Å; R302-E307 CarbonylContact O-C 3.52Å; R302-E307 WeakPolarHBondContact O-CA 3.28Å; R302-G308 PolarHBondContact O-N 2.83Å
303N97.7Very high98.6Very high105 Ų10526.4 Ų26.456%0.56113%0.127SC*.THydrogen-bonded Turntrans-76.7-2.1178.9-66-24000113.4Y35 N78 G301Y35-N303 HydrophobicContact CE1-CB 4.27Å; N78-N303 WeakPolarHBondContact CB-O 3.44Å; G301-N303 VanDerWaalsContact C-N 3.27Å; G301-N303 PolarHBondContact O-N 2.87Å
304F98.6Very high98.6Very high0 Ų024.7 Ų24.70%012%0.12CC..SBendtrans-94.1135.4172.5167.5-93.5000110F259 Y262 N298 W300 G301 R302 E306 G308 I310F259-F304 HydrophobicContact CE1-CZ 4.17Å; F259-F304 WeakPolarHBondContact O-CE2 3.47Å; Y262-F304 HydrophobicContact CD1-CZ 4.29Å; N298-F304 HydrophobicContact CB-CD1 3.82Å; N298-F304 HydrophobicContact CB-CE1 3.78Å; N298-F304 WeakPolarHBondContact ND2-CD1 3.02Å; N298-F304 WeakPolarHBondContact ND2-CE1 3.15Å; N298-F304 VanDerWaalsContact ND2-CZ 3.35Å; N298-F304 WeakPolarHBondContact ND2-CZ 3.5Å; W300-F304 HydrophobicContact CB-CB 4.1Å; W300-F304 HydrophobicContact CB-CG 4.3Å; W300-F304 AromaticContact CE3-CD2 3.64Å; W300-F304 HydrophobicContact CE3-CD2 3.64Å; W300-F304 AromaticContact CE3-CE2 3.66Å; W300-F304 HydrophobicContact CE3-CE2 3.66Å; W300-F304 HydrophobicContact CE3-CG 4.19Å; W300-F304 HydrophobicContact CE3-CZ 4.26Å; W300-F304 HydrophobicContact CZ3-CD2 4.23Å; W300-F304 AromaticContact CZ3-CE2 3.82Å; W300-F304 HydrophobicContact CZ3-CE2 3.82Å; W300-F304 HydrophobicContact CZ3-CZ 4.36Å; G301-F304 PolarHBondContact O-N 2.68Å; R302-F304 PolarHBondContact O-N 3.19Å; F304-E306 PolarHBondContact O-N 3.39Å; F304-G308 WeakPolarHBondContact O-CA 3.4Å; F304-G308 PolarHBondContact O-N 2.7Å; F304-I310 HydrophobicContact CE1-CB 4.15Å; F304-I310 HydrophobicContact CE1-CG2 4.33Å; F304-I310 HydrophobicContact CZ-CB 4.42Å; F304-I310 HydrophobicContact CZ-CD1 4.45Å
305G98.7Very high98.6Very high19 Ų1928.2 Ų28.220%0.19614%0.139CC..THydrogen-bonded Turntrans54.1-137.9172.900000114.2Y262 R263 E307Y262-G305 VanDerWaalsContact CD1-CA 3.49Å; Y262-G305 VanDerWaalsContact O-CA 3.31Å; Y262-G305 WeakPolarHBondContact O-CA 3.43Å; Y262-G305 PolarHBondContact O-N 3.18Å; R263-G305 CarbonylContact O-C 3.53Å; R263-G305 WeakPolarHBondContact O-CA 3.4Å; G305-E307 PolarHBondContact O-N 2.92Å
306E98.7Very high98.5Very high42 Ų4233.8 Ų33.820%0.19616%0.163CC..BIsolated β-bridgetrans-92.683.3-177.1-62.5174.9160.900109.2Y262 R263 S264 G265 F304 G308 Y309 R311Y262-E306 HydrophobicContact CE1-CG 4.13Å; Y262-E306 PolarHBondContact OH-OE1 3.47Å; Y262-E306 VanDerWaalsContact OH-OE1 3.13Å; Y262-E306 PolarHBondContact OH-OE2 2.78Å; R263-E306 WeakPolarHBondContact O-CG 3.48Å; R263-E306 PolarHBondContact O-N 2.95Å; S264-E306 WeakPolarHBondContact CA-OE1 3.39Å; S264-E306 VanDerWaalsContact CB-OE1 3.3Å; S264-E306 WeakPolarHBondContact CB-OE1 3.36Å; G265-E306 PolarHBondContact N-OE1 2.93Å; F304-E306 PolarHBondContact O-N 3.39Å; E306-G308 PolarHBondContact O-N 3.33Å; E306-Y309 PolarHBondContact N-O 3.05Å; E306-Y309 WeakPolarHBondContact O-CB 3.08Å; E306-Y309 WeakPolarHBondContact O-CD2 3.27Å; E306-Y309 PolarHBondContact O-N 3.3Å; E306-R311 IonicContact OE1-CZ 2.76Å; E306-R311 VanDerWaalsContact OE1-CZ 3.26Å; E306-R311 IonicContact OE1-NE 2.72Å; E306-R311 PolarHBondContact OE1-NE 3.48Å; E306-R311 IonicContact OE1-NH2 2.84Å; E306-R311 PolarHBondContact OE1-NH2 3.46Å; E306-R311 IonicContact OE2-CZ 3.42Å; E306-R311 IonicContact OE2-NE 3.19Å; E306-R311 PolarHBondContact OE2-NE 2.92Å; E306-R311 IonicContact OE2-NH2 3.17Å
307E98.4Very high98.5Very high111 Ų11136.7 Ų36.752%0.51919%0.193SC..THydrogen-bonded Turntrans56.335.6-176.4-64.5-65.8140.400113.2R302 G305 Y309R302-E307 IonicContact CZ-OE2 3.32Å; R302-E307 IonicContact NE-OE2 2.73Å; R302-E307 PolarHBondContact NE-OE2 2.81Å; R302-E307 IonicContact NH2-OE2 3.67Å; R302-E307 PolarHBondContact NH2-OE2 3.05Å; R302-E307 CarbonylContact O-C 3.52Å; R302-E307 WeakPolarHBondContact O-CA 3.28Å; G305-E307 PolarHBondContact O-N 2.92Å; E307-Y309 WeakPolarHBondContact O-CD2 3.34Å
308G98.6Very high98.5Very high0 Ų036.3 Ų36.30%019%0.192CC..THydrogen-bonded Turntrans91.54.7-177.300000115.1N298 G301 R302 F304 E306N298-G308 WeakPolarHBondContact CB-O 3.5Å; N298-G308 PolarHBondContact N-O 3.1Å; G301-G308 WeakPolarHBondContact O-CA 3.29Å; R302-G308 PolarHBondContact O-N 2.83Å; F304-G308 WeakPolarHBondContact O-CA 3.4Å; F304-G308 PolarHBondContact O-N 2.7Å; E306-G308 PolarHBondContact O-N 3.33Å
309Y98.9Very high98.5Very high19 Ų1936.6 Ų36.68%0.07519%0.193CC..EExtended strand (participates in β ladder)trans-109.4159177.2-62.8-99.1000111.9R122 V127 V130 Y262 V283 L295 V296 K297 E306 E307R122-Y309 HydrophobicContact CG-CE1 4.42Å; V127-Y309 WeakPolarHBondContact CG1-OH 3.46Å; V130-Y309 HydrophobicContact CG2-CD2 4.14Å; V130-Y309 HydrophobicContact CG2-CE2 3.55Å; Y262-Y309 WeakPolarHBondContact CE1-O 3.41Å; V283-Y309 HydrophobicContact CG2-CD1 4.26Å; V283-Y309 HydrophobicContact CG2-CE1 3.92Å; L295-Y309 HydrophobicContact CD1-CD1 4.32Å; V296-Y309 CarbonylContact O-C 3.55Å; V296-Y309 VanDerWaalsContact O-CA 3.22Å; V296-Y309 WeakPolarHBondContact O-CA 3.4Å; V296-Y309 WeakPolarHBondContact O-CB 3.4Å; V296-Y309 WeakPolarHBondContact O-CD1 3.28Å; K297-Y309 HydrophobicContact CB-CD1 3.9Å; K297-Y309 HydrophobicContact CB-CE1 3.53Å; K297-Y309 HydrophobicContact CD-CE1 4.37Å; K297-Y309 HydrophobicContact CG-CD1 4.4Å; K297-Y309 HydrophobicContact CG-CE1 3.78Å; E306-Y309 PolarHBondContact N-O 3.05Å; E306-Y309 WeakPolarHBondContact O-CB 3.08Å; E306-Y309 WeakPolarHBondContact O-CD2 3.27Å; E306-Y309 PolarHBondContact O-N 3.3Å; E307-Y309 WeakPolarHBondContact O-CD2 3.34Å
310I98.9Very high98.5Very high0 Ų036.4 Ų36.40%019%0.192CC..EExtended strand (participates in β ladder)trans-133.7138.9170.3179.9168.6000109.3F259 Y262 Y267 V296 F304 M312F259-I310 HydrophobicContact CD2-CD1 4.07Å; F259-I310 HydrophobicContact CE2-CD1 3.85Å; F259-I310 HydrophobicContact CZ-CD1 4.26Å; F259-I310 HydrophobicContact CZ-CG2 4.47Å; Y262-I310 HydrophobicContact CD1-CB 3.87Å; Y262-I310 HydrophobicContact CD1-CD1 3.86Å; Y262-I310 HydrophobicContact CD1-CG1 3.68Å; Y262-I310 HydrophobicContact CD2-CD1 3.92Å; Y262-I310 HydrophobicContact CD2-CG1 3.98Å; Y262-I310 HydrophobicContact CE1-CB 3.73Å; Y262-I310 HydrophobicContact CE1-CD1 4.33Å; Y262-I310 HydrophobicContact CE1-CG1 3.64Å; Y262-I310 HydrophobicContact CE2-CD1 4.35Å; Y262-I310 HydrophobicContact CE2-CG1 3.9Å; Y262-I310 HydrophobicContact CG-CD1 3.64Å; Y262-I310 HydrophobicContact CG-CG1 3.86Å; Y267-I310 HydrophobicContact CD1-CD1 4.2Å; Y267-I310 HydrophobicContact CD2-CD1 4.26Å; Y267-I310 HydrophobicContact CG-CD1 3.83Å; V296-I310 HydrophobicContact CB-CG2 3.83Å; V296-I310 WeakPolarHBondContact CB-O 3.39Å; V296-I310 HydrophobicContact CG1-CG2 4.14Å; V296-I310 PolarHBondContact N-O 2.85Å; V296-I310 PolarHBondContact O-N 3.06Å; F304-I310 HydrophobicContact CE1-CB 4.15Å; F304-I310 HydrophobicContact CE1-CG2 4.33Å; F304-I310 HydrophobicContact CZ-CB 4.42Å; F304-I310 HydrophobicContact CZ-CD1 4.45Å; I310-M312 HydrophobicContact CD1-CG 4.19Å; I310-M312 HydrophobicContact CG1-CG 3.98Å; I310-M312 HydrophobicContact CG2-CG 4.1Å; I310-M312 HydrophobicContact CG2-SD 4.4Å
311R98.9Very high98.5Very high44 Ų4436.4 Ų36.417%0.16619%0.192CC..EExtended strand (participates in β ladder)trans-96.3104.9171.2-70179.6-77.3-178.92.9108.3Y262 G265 V266 Y267 Y293 W294 L295 E306Y262-R311 PolarHBondContact OH-N 2.93Å; G265-R311 WeakPolarHBondContact O-CB 3.29Å; V266-R311 CarbonylContact C-O 3.59Å; V266-R311 WeakPolarHBondContact CA-O 3.2Å; Y267-R311 WeakPolarHBondContact CB-O 3.46Å; Y267-R311 PolarHBondContact N-O 3.24Å; Y293-R311 HydrophobicContact CD2-CB 3.88Å; Y293-R311 HydrophobicContact CD2-CG 3.67Å; Y293-R311 HydrophobicContact CE2-CG 3.85Å; Y293-R311 HydrophobicContact CG-CB 3.94Å; Y293-R311 HydrophobicContact CG-CG 4.11Å; W294-R311 CarbonylContact O-C 3.53Å; W294-R311 VanDerWaalsContact O-CA 3.3Å; W294-R311 WeakPolarHBondContact O-CA 3.28Å; L295-R311 HydrophobicContact CD1-CG 4.24Å; E306-R311 IonicContact OE1-CZ 2.76Å; E306-R311 VanDerWaalsContact OE1-CZ 3.26Å; E306-R311 IonicContact OE1-NE 2.72Å; E306-R311 PolarHBondContact OE1-NE 3.48Å; E306-R311 IonicContact OE1-NH2 2.84Å; E306-R311 PolarHBondContact OE1-NH2 3.46Å; E306-R311 IonicContact OE2-CZ 3.42Å; E306-R311 IonicContact OE2-NE 3.19Å; E306-R311 PolarHBondContact OE2-NE 2.92Å; E306-R311 IonicContact OE2-NH2 3.17Å
312M98.9Very high98.6Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-94.7141.1-178.3-62.5-175.569.600110.8V252 F259 Y267 Y293 W294 V296 I310 R314 C320 I322V252-M312 HydrophobicContact CB-CE 4.08Å; V252-M312 HydrophobicContact CB-SD 4.48Å; V252-M312 HydrophobicContact CG1-CE 3.86Å; V252-M312 HydrophobicContact CG1-SD 3.89Å; F259-M312 HydrophobicContact CE2-CE 3.95Å; F259-M312 HydrophobicContact CE2-SD 4.03Å; Y267-M312 HydrophobicContact CD1-CE 4.3Å; Y267-M312 HydrophobicContact CD1-CG 4.43Å; Y267-M312 HydrophobicContact CE1-CE 4.46Å; Y293-M312 CarbonylContact C-O 3.15Å; Y293-M312 WeakPolarHBondContact CA-O 3.25Å; Y293-M312 WeakPolarHBondContact CB-O 3.38Å; W294-M312 PolarHBondContact N-O 3.25Å; W294-M312 PolarHBondContact O-N 2.91Å; V296-M312 HydrophobicContact CG2-CB 4.39Å; V296-M312 HydrophobicContact CG2-CG 4.07Å; V296-M312 HydrophobicContact CG2-SD 4.03Å; I310-M312 HydrophobicContact CD1-CG 4.19Å; I310-M312 HydrophobicContact CG1-CG 3.98Å; I310-M312 HydrophobicContact CG2-CG 4.1Å; I310-M312 HydrophobicContact CG2-SD 4.4Å; M312-R314 PolarHBondContact O-N 2.91Å; M312-C320 HydrophobicContact CE-CB 3.7Å; M312-I322 HydrophobicContact CB-CD1 4.22Å; M312-I322 HydrophobicContact SD-CD1 4.03Å
313A98.9Very high98.6Very high5 Ų529.9 Ų29.94%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-53.6129.5179.800000112.3V266 Y267 Y268 K316 H319V266-A313 HydrophobicContact CG1-CB 4.27Å; Y267-A313 WeakPolarHBondContact O-CB 3.07Å; Y267-A313 PolarHBondContact O-N 2.92Å; Y268-A313 HydrophobicContact CD2-CB 3.9Å; A313-K316 HydrophobicContact CB-CB 4.22Å; A313-K316 HydrophobicContact CB-CG 4.06Å; A313-H319 HydrophobicContact CB-CB 4.48Å
314R98.8Very high98.6Very high3 Ų324.9 Ų24.91%0.01114%0.137CC..SBendtrans-108.5149.8176.7177.5170.262.572.60.2110.2E235 G286 E292 Y293 W294 M312 K316E235-R314 WeakPolarHBondContact OE2-CA 3.35Å; G286-R314 PolarHBondContact O-NH2 3.08Å; E292-R314 HydrophobicContact CB-CB 4.21Å; E292-R314 PolarHBondContact O-N 2.8Å; E292-R314 IonicContact OE1-CZ 2.92Å; E292-R314 IonicContact OE1-NH1 3.2Å; E292-R314 PolarHBondContact OE1-NH1 3.41Å; E292-R314 IonicContact OE1-NH2 2.66Å; E292-R314 PolarHBondContact OE1-NH2 3.12Å; E292-R314 IonicContact OE2-NH1 3.03Å; Y293-R314 PolarHBondContact O-NE 3.5Å; Y293-R314 VanDerWaalsContact O-NE 3.12Å; W294-R314 HydrophobicContact CD2-CB 4.29Å; W294-R314 HydrophobicContact CD2-CG 4.07Å; W294-R314 VanDerWaalsContact CE2-CG 3.46Å; W294-R314 HydrophobicContact CG-CB 4.09Å; W294-R314 HydrophobicContact CG-CG 4.38Å; W294-R314 HydrophobicContact CH2-CG 4.39Å; W294-R314 VanDerWaalsContact CZ2-CD 3.41Å; W294-R314 HydrophobicContact CZ2-CG 3.66Å; M312-R314 PolarHBondContact O-N 2.91Å; R314-K316 VanDerWaalsContact C-N 3.27Å; R314-K316 PolarHBondContact O-N 2.93Å
315N98.3Very high98.5Very high74 Ų7425.5 Ų25.540%0.39614%0.14SC..SBendtrans57.541.3-177.5-62.7-26.5000112.2E235 E292E235-N315 VanDerWaalsContact CD-N 3.33Å; E235-N315 WeakPolarHBondContact OE1-CA 3.3Å; E235-N315 PolarHBondContact OE1-N 3.21Å; E235-N315 PolarHBondContact OE2-N 3.35Å; E292-N315 PolarHBondContact OE1-ND2 2.84Å; E292-N315 PolarHBondContact OE2-ND2 2.88Å
316K98.3Very high98.5Very high122 Ų12224.7 Ų24.753%0.5313%0.131SC..SBendtrans-12745.3-178.9-70.9-64.4-177.5-174.90111.4E235 Y268 A313 R314 H319E235-K316 PolarHBondContact OE1-N 3.23Å; Y268-K316 HydrophobicContact CD2-CB 4.46Å; Y268-K316 HydrophobicContact CE2-CB 4.18Å; A313-K316 HydrophobicContact CB-CB 4.22Å; A313-K316 HydrophobicContact CB-CG 4.06Å; R314-K316 VanDerWaalsContact C-N 3.27Å; R314-K316 PolarHBondContact O-N 2.93Å; K316-H319 HydrophobicContact CB-CB 4.29Å
317G97.8Very high98.5Very high62 Ų6222.7 Ų22.764%0.63912%0.122SC*.SBendtrans72.142.3174.800000113.1Q274Q274-G317 PolarHBondContact NE2-O 2.73Å
318N98.6Very high98.5Very high7 Ų717.7 Ų17.74%0.03710%0.098CC..SBendtrans55.854.2-176-176.528.5000111.3E235 C320 G321 I322 A323 S324E235-N318 WeakPolarHBondContact OE1-CA 3.49Å; E235-N318 PolarHBondContact OE1-N 3.32Å; N318-C320 PolarHBondContact O-N 2.88Å; N318-G321 WeakPolarHBondContact O-CA 3.29Å; N318-G321 PolarHBondContact O-N 3.31Å; N318-G321 WeakPolarHBondContact OD1-CA 3.26Å; N318-I322 PolarHBondContact OD1-N 3.18Å; N318-A323 WeakPolarHBondContact OD1-CA 3.38Å; N318-A323 WeakPolarHBondContact OD1-CB 3.32Å; N318-A323 PolarHBondContact OD1-N 3.25Å; N318-S324 PolarHBondContact ND2-OG 2.91Å
319H98.8Very high98.5Very high12 Ų1217.7 Ų17.76%0.05610%0.098CC..G310 helixtrans-55.7132.6-174.3-174.163.3000111.9Y267 Y268 E269 A313 K316 G321 I322Y267-H319 AromaticContact CE1-NE2 3.98Å; Y268-H319 WeakPolarHBondContact CA-NE2 3.49Å; Y268-H319 AromaticContact CD2-CE1 3.42Å; Y268-H319 VanDerWaalsContact CD2-CE1 3.42Å; Y268-H319 WeakPolarHBondContact CD2-CE1 3.49Å; Y268-H319 AromaticContact CD2-CG 3.97Å; Y268-H319 AromaticContact CD2-ND1 3.52Å; Y268-H319 AromaticContact CD2-NE2 3.83Å; Y268-H319 AromaticContact CE2-CE1 3.75Å; Y268-H319 AromaticContact CE2-ND1 3.53Å; E269-H319 PolarHBondContact N-CE1 3Å; E269-H319 PolarHBondContact N-NE2 3.47Å; E269-H319 VanDerWaalsContact N-NE2 3.16Å; E269-H319 PolarHBondContact O-CE1 2.88Å; A313-H319 HydrophobicContact CB-CB 4.48Å; K316-H319 HydrophobicContact CB-CB 4.29Å; H319-G321 PolarHBondContact O-N 3.26Å; H319-I322 PolarHBondContact O-N 3.22Å; H319-I322 VanDerWaalsContact O-N 3.16Å
320C98.5Very high98.4Very high2 Ų218.7 Ų18.71%0.01410%0.103CC..G310 helixtrans51.819.6-172.8-51.50000114.6V252 D253 C272 T273 M312 N318 I322V252-C320 CarbonylContact C-O 3.57Å; V252-C320 WeakPolarHBondContact CA-O 3.44Å; V252-C320 HydrophobicContact CB-CB 4.48Å; D253-C320 HydrophobicContact CB-CB 4.18Å; D253-C320 PolarHBondContact N-O 3.15Å; C272-C320 HydrophobicContact CB-CB 3.92Å; C272-C320 WeakPolarHBondContact CB-SG 3.32Å; C272-C320 WeakPolarHBondContact SG-CB 3.44Å; C272-C320 CovalentContact SG-SG 2.04Å; C272-C320 PolarHBondContact SG-SG 2.7Å; T273-C320 CarbonylContact O-C 3.1Å; T273-C320 WeakPolarHBondContact O-CA 3.23Å; M312-C320 HydrophobicContact CE-CB 3.7Å; N318-C320 PolarHBondContact O-N 2.88Å; C320-I322 VanDerWaalsContact C-N 3.32Å; C320-I322 PolarHBondContact O-N 3.25Å
321G98.4Very high98.2Very high0 Ų021.1 Ų21.10%012%0.116CC..G310 helixtrans70.220.1-177.700000115.3T273 N318 H319 A323 S324T273-G321 PolarHBondContact O-N 3.41Å; N318-G321 WeakPolarHBondContact O-CA 3.29Å; N318-G321 PolarHBondContact O-N 3.31Å; N318-G321 WeakPolarHBondContact OD1-CA 3.26Å; H319-G321 PolarHBondContact O-N 3.26Å; G321-A323 PolarHBondContact O-N 3.29Å; G321-A323 VanDerWaalsContact O-N 3.11Å; G321-S324 VanDerWaalsContact CA-OG 3.28Å; G321-S324 WeakPolarHBondContact CA-OG 3.29Å; G321-S324 WeakPolarHBondContact O-CB 3.49Å; G321-S324 PolarHBondContact O-N 3.19Å; G321-S324 PolarHBondContact O-OG 3.1Å; G321-S324 VanDerWaalsContact O-OG 3.1Å
322I98.8Very high98.2Very high0 Ų020 Ų200%011%0.114CC..THydrogen-bonded Turntrans-57.7-30.5-173-161.5170.9000114.3V250 V252 V282 W294 V296 M312 N318 H319 C320V250-I322 HydrophobicContact CB-CG1 4.44Å; V250-I322 WeakPolarHBondContact CB-O 3.38Å; V250-I322 WeakPolarHBondContact CG1-O 3.14Å; V250-I322 HydrophobicContact CG2-CG1 3.89Å; V252-I322 HydrophobicContact CG1-CB 3.98Å; V252-I322 HydrophobicContact CG1-CD1 4.28Å; V252-I322 HydrophobicContact CG1-CG1 3.74Å; V282-I322 HydrophobicContact CG2-CD1 4.1Å; V282-I322 HydrophobicContact CG2-CG1 4.31Å; W294-I322 HydrophobicContact CB-CD1 3.75Å; W294-I322 HydrophobicContact CG-CD1 3.74Å; V296-I322 HydrophobicContact CG2-CD1 3.87Å; M312-I322 HydrophobicContact CB-CD1 4.22Å; M312-I322 HydrophobicContact SD-CD1 4.03Å; N318-I322 PolarHBondContact OD1-N 3.18Å; H319-I322 PolarHBondContact O-N 3.22Å; H319-I322 VanDerWaalsContact O-N 3.16Å; C320-I322 VanDerWaalsContact C-N 3.32Å; C320-I322 PolarHBondContact O-N 3.25Å
323A98.5Very high98.1Very high0 Ų021.1 Ų21.10%012%0.12CC..THydrogen-bonded Turntrans-98.19.4175.100000113.3G233 E235 L238 N318 G321 P326G233-A323 PolarHBondContact N-O 2.93Å; E235-A323 HydrophobicContact CG-CB 3.82Å; L238-A323 HydrophobicContact CD2-CB 4.2Å; N318-A323 WeakPolarHBondContact OD1-CA 3.38Å; N318-A323 WeakPolarHBondContact OD1-CB 3.32Å; N318-A323 PolarHBondContact OD1-N 3.25Å; G321-A323 PolarHBondContact O-N 3.29Å; G321-A323 VanDerWaalsContact O-N 3.11Å; A323-P326 WeakPolarHBondContact O-CD 3.46Å
324S97.6Very high98.1Very high0 Ų021.9 Ų21.90%012%0.124CC..THydrogen-bonded Turntrans-71.7-43.4-179.4-66.90000112.5R103 Y232 N318 G321R103-S324 PolarHBondContact NH1-O 3.12Å; R103-S324 PolarHBondContact NH2-O 2.97Å; Y232-S324 VanDerWaalsContact CD2-O 3.3Å; Y232-S324 WeakPolarHBondContact CD2-O 3.47Å; Y232-S324 WeakPolarHBondContact CE2-OG 3.46Å; Y232-S324 PolarHBondContact OH-OG 3.28Å; N318-S324 PolarHBondContact ND2-OG 2.91Å; G321-S324 VanDerWaalsContact CA-OG 3.28Å; G321-S324 WeakPolarHBondContact CA-OG 3.29Å; G321-S324 WeakPolarHBondContact O-CB 3.49Å; G321-S324 PolarHBondContact O-N 3.19Å; G321-S324 PolarHBondContact O-OG 3.1Å; G321-S324 VanDerWaalsContact O-OG 3.1Å
325F97.6Very high98Very high14 Ų1423.1 Ų23.16%0.06113%0.131CC..SBendtrans-132.457.4-177.6-60.1-88.9000114.6V97 Q100 F184 V276V97-F325 HydrophobicContact CG1-CD1 4.03Å; V97-F325 HydrophobicContact CG1-CD2 4.09Å; V97-F325 HydrophobicContact CG1-CE1 3.43Å; V97-F325 VanDerWaalsContact CG1-CE1 3.43Å; V97-F325 HydrophobicContact CG1-CE2 3.51Å; V97-F325 HydrophobicContact CG1-CG 4.34Å; V97-F325 HydrophobicContact CG1-CZ 3.14Å; Q100-F325 HydrophobicContact CG-CE1 4.09Å; Q100-F325 HydrophobicContact CG-CZ 3.98Å; F184-F325 HydrophobicContact CZ-CB 3.81Å; F184-F325 AromaticContact CZ-CD1 3.88Å; F184-F325 HydrophobicContact CZ-CD1 3.88Å; F184-F325 AromaticContact CZ-CG 4Å; F184-F325 HydrophobicContact CZ-CG 4Å; V276-F325 HydrophobicContact CG2-CD2 3.56Å; V276-F325 HydrophobicContact CG2-CE2 3.84Å
326P98.2Very high98Very high1 Ų119.9 Ų19.91%0.00611%0.114CC..  trans-80.4139.1177.7-8.428.8000111L230 L238 V248 S249 V250 A323L230-P326 HydrophobicContact CB-CB 3.93Å; L230-P326 HydrophobicContact CB-CG 4.05Å; L230-P326 HydrophobicContact CD1-CB 3.77Å; L230-P326 HydrophobicContact CD1-CG 4.37Å; L230-P326 HydrophobicContact CG-CB 3.9Å; L230-P326 PolarHBondContact N-O 2.93Å; L238-P326 HydrophobicContact CD1-CB 3.91Å; L238-P326 HydrophobicContact CD1-CG 4.35Å; V248-P326 HydrophobicContact CG1-CB 3.75Å; S249-P326 CarbonylContact O-C 3.56Å; S249-P326 WeakPolarHBondContact O-CA 3.43Å; V250-P326 HydrophobicContact CG1-CB 4.01Å; V250-P326 HydrophobicContact CG1-CG 4.48Å; A323-P326 WeakPolarHBondContact O-CD 3.46Å
327S98.3Very high98Very high1 Ų113.1 Ų13.11%0.0079%0.086CC..EExtended strand (participates in β ladder)trans-150.2152.617158.60000111.5T228 V248 S249T228-S327 WeakPolarHBondContact O-CA 3.48Å; T228-S327 WeakPolarHBondContact O-CB 3.38Å; V248-S327 WeakPolarHBondContact CG1-O 3.47Å; S249-S327 WeakPolarHBondContact CB-O 3.39Å; S249-S327 PolarHBondContact N-O 3.45Å; S249-S327 PolarHBondContact O-N 3.07Å
328Y98.5Very high98Very high6 Ų69.6 Ų9.62%0.0245%0.047CC..EExtended strand (participates in β ladder)trans-138.8142.917569.2-87.1000110.6Y107 Y227 T228 L230 V241 K245 E330Y107-Y328 HydrophobicContact CD2-CE1 4.49Å; Y227-Y328 CarbonylContact C-O 3.42Å; Y227-Y328 VanDerWaalsContact CA-O 3.29Å; Y227-Y328 WeakPolarHBondContact CA-O 3.36Å; T228-Y328 HydrophobicContact CG2-CE1 3.89Å; T228-Y328 PolarHBondContact N-O 3.02Å; T228-Y328 PolarHBondContact O-N 3.07Å; T228-Y328 VanDerWaalsContact O-N 3.07Å; T228-Y328 PolarHBondContact OG1-OH 3.18Å; L230-Y328 HydrophobicContact CD2-CD1 4.39Å; L230-Y328 HydrophobicContact CD2-CE1 4.05Å; V241-Y328 HydrophobicContact CG1-CD1 3.41Å; V241-Y328 VanDerWaalsContact CG1-CD1 3.41Å; V241-Y328 HydrophobicContact CG1-CE1 3.44Å; V241-Y328 VanDerWaalsContact CG1-CE1 3.44Å; V241-Y328 HydrophobicContact CG1-CG 4.21Å; V241-Y328 HydrophobicContact CG2-CE1 4.37Å; K245-Y328 HydrophobicContact CB-CD2 4.32Å; K245-Y328 HydrophobicContact CB-CE2 4.09Å; K245-Y328 HydrophobicContact CD-CE2 4.41Å; K245-Y328 HydrophobicContact CG-CE1 4.5Å; K245-Y328 HydrophobicContact CG-CE2 4.11Å; Y328-E330 HydrophobicContact CD2-CG 4.23Å; Y328-E330 HydrophobicContact CE2-CG 3.85Å; Y328-E330 WeakPolarHBondContact CE2-OE1 3.26Å
329P98.5Very high98Very high0 Ų09.8 Ų9.80%05%0.047CC..EExtended strand (participates in β ladder)trans-84168.6174.535.5-32.8000111A147 L148 Q151 F189 K226A147-P329 HydrophobicContact CB-CG 4.09Å; L148-P329 HydrophobicContact CB-CG 3.94Å; L148-P329 HydrophobicContact CD1-CB 4.09Å; L148-P329 HydrophobicContact CD1-CG 4Å; Q151-P329 HydrophobicContact CG-CG 4.3Å; Q151-P329 VanDerWaalsContact CG-O 3.27Å; Q151-P329 WeakPolarHBondContact CG-O 3.49Å; F189-P329 HydrophobicContact CD1-CB 3.76Å; F189-P329 HydrophobicContact CD1-CG 4.07Å; F189-P329 HydrophobicContact CE1-CB 3.82Å; F189-P329 HydrophobicContact CE1-CG 3.6Å; F189-P329 HydrophobicContact CG-CB 4.14Å; F189-P329 HydrophobicContact CZ-CB 4.27Å; F189-P329 HydrophobicContact CZ-CG 3.93Å; K226-P329 CarbonylContact O-C 3.56Å; K226-P329 WeakPolarHBondContact O-CA 3.48Å
330E97.4Very high97.9Very high39 Ų399.6 Ų9.618%0.1825%0.047CC..EExtended strand (participates in β ladder)trans-134.7143.3167.8-70.8175.3-121.300109.1C224 S225 K226 Y328C224-E330 WeakPolarHBondContact CA-O 3.42Å; S225-E330 PolarHBondContact N-O 3.24Å; S225-E330 PolarHBondContact OG-O 3.37Å; K226-E330 WeakPolarHBondContact CE-OE1 3.21Å; K226-E330 WeakPolarHBondContact CE-OE2 3.34Å; K226-E330 HydrophobicContact CG-CB 4.13Å; K226-E330 IonicContact NZ-OE1 3.39Å; K226-E330 PolarHBondContact NZ-OE1 3.41Å; K226-E330 VanDerWaalsContact NZ-OE1 3.16Å; K226-E330 IonicContact NZ-OE2 2.69Å; K226-E330 PolarHBondContact NZ-OE2 3.39Å; K226-E330 PolarHBondContact O-N 3.14Å; Y328-E330 HydrophobicContact CD2-CG 4.23Å; Y328-E330 HydrophobicContact CE2-CG 3.85Å; Y328-E330 WeakPolarHBondContact CE2-OE1 3.26Å
331I94.4Very high97.8Very high52 Ų5210.3 Ų10.327%0.2675%0.05SC..  trans-84.30171.2-56.2-164.6000109.4L148 Q151 L152 K155 T223 S225L148-I331 HydrophobicContact CD1-CD1 4.42Å; L148-I331 HydrophobicContact CD1-CG1 3.97Å; Q151-I331 HydrophobicContact CB-CD1 4.49Å; Q151-I331 HydrophobicContact CB-CG1 4.02Å; L152-I331 HydrophobicContact CB-CD1 3.83Å; L152-I331 HydrophobicContact CD1-CD1 3.8Å; L152-I331 HydrophobicContact CG-CD1 4.46Å; K155-I331 HydrophobicContact CG-CB 4.39Å; K155-I331 HydrophobicContact CG-CG2 4.34Å; T223-I331 WeakPolarHBondContact O-CG1 3.37Å; S225-I331 WeakPolarHBondContact CB-OXT 3.34Å; S225-I331 VanDerWaalsContact OG-C 3.31Å; S225-I331 PolarHBondContact OG-OXT 3.49Å

Retrieved 331 of 331 residues in 902.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).