A0A3Q0KF45_SCHMA Loading...

UDP-N-acetylglucosamine diphosphorylase

AlphaFold DB , UniProt , Accession A0A3Q0KF45, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 522 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
1M39.9Very low60Low232 Ų232100.5 Ų100.5100%1.14356%0.563SS**  0116.30-72172.7-175.200105.7D3M1-D3 PolarHBondContact O-N 3.15Å
2S41.5Very low62.2Low109 Ų10997.7 Ų97.776%0.76254%0.542SS*.  trans-64123.3169.547.80000107.4V4S2-V4 PolarHBondContact O-N 3.13Å
3D46.2Very low64.3Low157 Ų15792.9 Ų92.984%0.8453%0.529SS*.  trans-63.574.5177.3-65.4-45.3000110.6M1 P5M1-D3 PolarHBondContact O-N 3.15Å; D3-P5 WeakPolarHBondContact O-CD 3.46Å
4V53.1Low66.4Low32 Ų3287.3 Ų87.319%0.19450%0.496CS..  trans-61.8121.5151.4-178.20000103.4S2 V6 I36S2-V4 PolarHBondContact O-N 3.13Å; V4-V6 PolarHBondContact O-N 2.66Å; V4-I36 HydrophobicContact CG1-CG2 4.14Å
5P53.1Low68.1Low77 Ų7787.8 Ų87.850%0.550%0.496SS..  trans-71.878.5-179.2-5.820.8000108.2D3 I7 N8D3-P5 WeakPolarHBondContact O-CD 3.46Å; P5-I7 PolarHBondContact O-N 3.38Å; P5-N8 PolarHBondContact O-N 2.76Å
6V58.5Low69.7Low69 Ų6983 Ų8342%0.41847%0.469SS..G310 helixtrans-52.1-28.2174.7177.20000109.6V4 N8 I9 P10 F18V4-V6 PolarHBondContact O-N 2.66Å; V6-N8 PolarHBondContact O-N 2.91Å; V6-N8 VanDerWaalsContact O-N 3.15Å; V6-I9 PolarHBondContact O-N 3.46Å; V6-P10 WeakPolarHBondContact O-CD 3.33Å; V6-F18 HydrophobicContact CG1-CE2 4.06Å; V6-F18 HydrophobicContact CG1-CZ 4.09Å; V6-F18 HydrophobicContact CG2-CZ 4.43Å
7I56.2Low71.2Confident141 Ų14178.2 Ų78.272%0.72344%0.441SS*.G310 helixtrans-53.4-30.9175.3-58.5175.8000113.2P5P5-I7 PolarHBondContact O-N 3.38Å
8N68.9Low72.4Confident73 Ų7376.4 Ų76.439%0.3943%0.428SS..G310 helixtrans-87.1-15-176-70.8-20.7000114.1P5 V6 L11 H12P5-N8 PolarHBondContact O-N 2.76Å; V6-N8 PolarHBondContact O-N 2.91Å; V6-N8 VanDerWaalsContact O-N 3.15Å; N8-L11 WeakPolarHBondContact O-CB 3.02Å; N8-L11 PolarHBondContact O-N 3.37Å; N8-H12 PolarHBondContact O-CD2 2.96Å
9I80.9Confident73.6Confident3 Ų376.1 Ų76.12%0.01543%0.428CS..THydrogen-bonded Turntrans-66.7-44.3-172.3-63.6167.4000112V6 L11 H12 G13 Q14 F18 I36 F41V6-I9 PolarHBondContact O-N 3.46Å; I9-L11 VanDerWaalsContact C-N 3.3Å; I9-L11 PolarHBondContact O-N 2.98Å; I9-H12 PolarHBondContact O-N 2.89Å; I9-H12 VanDerWaalsContact O-N 3.17Å; I9-G13 PolarHBondContact O-N 3.42Å; I9-Q14 VanDerWaalsContact CG2-C 3.49Å; I9-Q14 HydrophobicContact CG2-CB 3.87Å; I9-Q14 WeakPolarHBondContact CG2-O 3.18Å; I9-Q14 PolarHBondContact O-N 3.46Å; I9-F18 HydrophobicContact CD1-CE2 3.47Å; I9-F18 VanDerWaalsContact CD1-CE2 3.47Å; I9-F18 HydrophobicContact CD1-CZ 3.76Å; I9-F18 HydrophobicContact CG2-CE2 4.22Å; I9-I36 HydrophobicContact CD1-CG2 3.52Å; I9-I36 HydrophobicContact CG1-CG2 4.39Å; I9-F41 HydrophobicContact CG1-CE2 3.94Å; I9-F41 HydrophobicContact CG1-CZ 4.02Å
10P79.4Confident74.7Confident77 Ų7772.8 Ų72.850%0.541%0.409SS..G310 helixtrans-64-31.6174.4-23.535.4000113.6V6 H12 G13 D15V6-P10 WeakPolarHBondContact O-CD 3.33Å; P10-H12 PolarHBondContact O-N 3.39Å; P10-H12 VanDerWaalsContact O-N 3.15Å; P10-G13 PolarHBondContact O-N 2.72Å; P10-D15 HydrophobicContact CB-CB 4.47Å; P10-D15 HydrophobicContact CG-CB 4.38Å
11L82Confident75.7Confident135 Ų13572.6 Ų72.671%0.70740%0.402SS*.G310 helixtrans-63.2-21177-64.3176.1000112.7N8 I9N8-L11 WeakPolarHBondContact O-CB 3.02Å; N8-L11 PolarHBondContact O-N 3.37Å; I9-L11 VanDerWaalsContact C-N 3.3Å; I9-L11 PolarHBondContact O-N 2.98Å
12H86.6Confident78.4Confident67 Ų6769.1 Ų69.131%0.3139%0.388SS..G310 helixtrans-103.67.7176.6-64.2-65.9000113.3N8 I9 P10 Q14 F41N8-H12 PolarHBondContact O-CD2 2.96Å; I9-H12 PolarHBondContact O-N 2.89Å; I9-H12 VanDerWaalsContact O-N 3.17Å; P10-H12 PolarHBondContact O-N 3.39Å; P10-H12 VanDerWaalsContact O-N 3.15Å; H12-Q14 HydrophobicContact CB-CG 4.35Å; H12-Q14 PolarHBondContact O-NE2 3.2Å; H12-F41 HydrophobicContact CB-CB 4.07Å; H12-F41 HydrophobicContact CB-CD1 4.28Å; H12-F41 HydrophobicContact CB-CG 4.46Å; H12-F41 WeakPolarHBondContact CD2-CB 3.48Å
13G89.4Confident80.9Confident36 Ų3669.5 Ų69.537%0.37138%0.378SS..THydrogen-bonded Turntrans66.133.6179.400000113.9I9 P10I9-G13 PolarHBondContact O-N 3.42Å; P10-G13 PolarHBondContact O-N 2.72Å
14Q93.8Very high83.3Confident14 Ų1462.7 Ų62.77%0.06534%0.341CS..  trans-118.824.1-177.2-54.6-62.5-41.700112.6I9 H12 H16 L17 F41 G203I9-Q14 VanDerWaalsContact CG2-C 3.49Å; I9-Q14 HydrophobicContact CG2-CB 3.87Å; I9-Q14 WeakPolarHBondContact CG2-O 3.18Å; I9-Q14 PolarHBondContact O-N 3.46Å; H12-Q14 HydrophobicContact CB-CG 4.35Å; H12-Q14 PolarHBondContact O-NE2 3.2Å; Q14-H16 PolarHBondContact O-N 3.03Å; Q14-H16 PolarHBondContact OE1-CE1 2.94Å; Q14-H16 VanDerWaalsContact OE1-CE1 3.27Å; Q14-L17 HydrophobicContact CB-CD1 4.1Å; Q14-L17 HydrophobicContact CB-CG 4.36Å; Q14-L17 WeakPolarHBondContact O-CB 3.33Å; Q14-L17 VanDerWaalsContact O-CG 3.28Å; Q14-L17 WeakPolarHBondContact O-CG 3.41Å; Q14-L17 PolarHBondContact O-N 3.46Å; Q14-F41 HydrophobicContact CB-CD1 4.44Å; Q14-F41 HydrophobicContact CB-CE1 3.94Å; Q14-F41 HydrophobicContact CG-CD1 3.95Å; Q14-F41 HydrophobicContact CG-CE1 3.84Å; Q14-G203 PolarHBondContact NE2-O 2.91Å
15D92.4Very high85.4Confident95 Ų9565 Ų6551%0.50835%0.352SS..G310 helixtrans-62.6-27.2-179.655.9-67000113.3P10 L17 F18P10-D15 HydrophobicContact CB-CB 4.47Å; P10-D15 HydrophobicContact CG-CB 4.38Å; D15-L17 PolarHBondContact O-N 2.81Å; D15-F18 PolarHBondContact O-N 3.02Å
16H94.1Very high87.4Confident11 Ų1164.7 Ų64.75%0.05136%0.357CS..G310 helixtrans-61.4-14.7176.171-78.5000113.8Q14 F18 T19 R204 I205 L376Q14-H16 PolarHBondContact O-N 3.03Å; Q14-H16 PolarHBondContact OE1-CE1 2.94Å; Q14-H16 VanDerWaalsContact OE1-CE1 3.27Å; H16-F18 PolarHBondContact O-N 2.83Å; H16-T19 WeakPolarHBondContact CA-OG1 3.32Å; H16-T19 WeakPolarHBondContact O-CB 3.4Å; H16-T19 PolarHBondContact O-N 2.96Å; H16-T19 PolarHBondContact O-OG1 2.84Å; H16-R204 VanDerWaalsContact CE1-CB 3.49Å; H16-R204 WeakPolarHBondContact CE1-CB 3.44Å; H16-I205 PolarHBondContact NE2-O 3.19Å; H16-L376 HydrophobicContact CB-CD1 4.03Å
17L94.3Very high89.3Confident1 Ų167.9 Ų67.91%0.00537%0.372CS..G310 helixtrans-60.4-22.6172.7-64.4-176.8000112.1Q14 D15 I32 I36 F41 I205 L207 L213Q14-L17 HydrophobicContact CB-CD1 4.1Å; Q14-L17 HydrophobicContact CB-CG 4.36Å; Q14-L17 WeakPolarHBondContact O-CB 3.33Å; Q14-L17 VanDerWaalsContact O-CG 3.28Å; Q14-L17 WeakPolarHBondContact O-CG 3.41Å; Q14-L17 PolarHBondContact O-N 3.46Å; D15-L17 PolarHBondContact O-N 2.81Å; L17-I32 WeakPolarHBondContact O-CD1 3.3Å; L17-I36 HydrophobicContact CB-CD1 4.13Å; L17-I36 HydrophobicContact CD1-CD1 4.28Å; L17-I36 HydrophobicContact CD1-CG1 4.13Å; L17-F41 HydrophobicContact CD1-CE1 4.34Å; L17-F41 HydrophobicContact CD1-CZ 4.34Å; L17-I205 HydrophobicContact CD1-CD1 4.43Å; L17-I205 HydrophobicContact CD2-CB 4.04Å; L17-I205 HydrophobicContact CD2-CG2 3.98Å; L17-L207 HydrophobicContact CD2-CD2 3.83Å; L17-L207 HydrophobicContact CD2-CG 4.37Å; L17-L213 HydrophobicContact CD1-CD2 4.35Å; L17-L213 HydrophobicContact CD2-CD2 3.59Å; L17-L213 HydrophobicContact CG-CD2 4.48Å
18F93.9Very high91.2Very high46 Ų4664.2 Ų64.220%0.20235%0.351CS..G310 helixtrans-99.511.1175.7-62.7-77.4000114.1V6 I9 D15 H16 F20 W21 L33 I36V6-F18 HydrophobicContact CG1-CE2 4.06Å; V6-F18 HydrophobicContact CG1-CZ 4.09Å; V6-F18 HydrophobicContact CG2-CZ 4.43Å; I9-F18 HydrophobicContact CD1-CE2 3.47Å; I9-F18 VanDerWaalsContact CD1-CE2 3.47Å; I9-F18 HydrophobicContact CD1-CZ 3.76Å; I9-F18 HydrophobicContact CG2-CE2 4.22Å; D15-F18 PolarHBondContact O-N 3.02Å; H16-F18 PolarHBondContact O-N 2.83Å; F18-F20 PolarHBondContact O-N 3.29Å; F18-F20 VanDerWaalsContact O-N 3.09Å; F18-W21 HydrophobicContact CB-CB 4.19Å; F18-W21 HydrophobicContact CD1-CB 4.48Å; F18-W21 HydrophobicContact CD1-CD2 4.04Å; F18-W21 AromaticContact CD1-CE3 3.58Å; F18-W21 HydrophobicContact CD1-CE3 3.58Å; F18-W21 HydrophobicContact CD1-CG 4.44Å; F18-W21 HydrophobicContact CD1-CZ3 4.15Å; F18-W21 AromaticContact CE1-CE3 3.95Å; F18-W21 HydrophobicContact CE1-CE3 3.95Å; F18-W21 HydrophobicContact CE1-CZ3 4.04Å; F18-W21 VanDerWaalsContact O-CB 3.22Å; F18-W21 WeakPolarHBondContact O-CB 3.43Å; F18-W21 PolarHBondContact O-N 3.26Å; F18-L33 HydrophobicContact CE1-CD2 4.13Å; F18-L33 HydrophobicContact CZ-CD2 4.41Å; F18-I36 HydrophobicContact CE1-CD1 4.05Å; F18-I36 HydrophobicContact CE2-CD1 4.19Å; F18-I36 HydrophobicContact CZ-CD1 3.68Å
19T95Very high92.5Very high71 Ų7163.3 Ų63.344%0.43635%0.345SS..THydrogen-bonded Turntrans-51.2-39.4-175.8-70.50000113.2H16 L376H16-T19 WeakPolarHBondContact CA-OG1 3.32Å; H16-T19 WeakPolarHBondContact O-CB 3.4Å; H16-T19 PolarHBondContact O-N 2.96Å; H16-T19 PolarHBondContact O-OG1 2.84Å; T19-L376 VanDerWaalsContact CG2-O 3.31Å; T19-L376 WeakPolarHBondContact CG2-O 3.36Å
20F95.7Very high93.2Very high9 Ų966 Ų664%0.03936%0.363CS..THydrogen-bonded Turntrans-9910-178.5-58.3-73.4000114.1F18 N22 E23 L24 L207 K210 I374 L376 G379F18-F20 PolarHBondContact O-N 3.29Å; F18-F20 VanDerWaalsContact O-N 3.09Å; F20-N22 VanDerWaalsContact C-N 3.27Å; F20-N22 PolarHBondContact O-N 2.82Å; F20-N22 VanDerWaalsContact O-N 3.1Å; F20-E23 WeakPolarHBondContact O-CA 3.3Å; F20-E23 WeakPolarHBondContact O-CB 3.49Å; F20-E23 PolarHBondContact O-N 3.14Å; F20-L24 HydrophobicContact CB-CD2 4.46Å; F20-L24 WeakPolarHBondContact O-CG 3.43Å; F20-L24 PolarHBondContact O-N 3.21Å; F20-L207 HydrophobicContact CD2-CD1 4.31Å; F20-L207 HydrophobicContact CE2-CD1 4.43Å; F20-K210 HydrophobicContact CB-CB 3.87Å; F20-K210 HydrophobicContact CB-CD 4.14Å; F20-K210 HydrophobicContact CB-CG 4.1Å; F20-K210 HydrophobicContact CD1-CD 3.91Å; F20-K210 HydrophobicContact CD1-CG 4.12Å; F20-K210 HydrophobicContact CD2-CB 4.11Å; F20-K210 HydrophobicContact CD2-CG 3.89Å; F20-K210 HydrophobicContact CE2-CG 4.39Å; F20-K210 HydrophobicContact CG-CB 4.01Å; F20-K210 HydrophobicContact CG-CD 3.93Å; F20-K210 HydrophobicContact CG-CG 3.74Å; F20-I374 HydrophobicContact CD2-CD1 3.88Å; F20-I374 HydrophobicContact CE2-CD1 3.43Å; F20-I374 VanDerWaalsContact CE2-CD1 3.43Å; F20-I374 HydrophobicContact CZ-CD1 4.22Å; F20-L376 HydrophobicContact CE2-CD2 4.41Å; F20-L376 WeakPolarHBondContact CZ-O 3.46Å; F20-G379 VanDerWaalsContact CZ-CA 3.5Å
21W95.2Very high93.9Very high70 Ų7065.6 Ų65.627%0.26536%0.355SS..G310 helixtrans-52.5-40.3-168.9-179.6-98.1000114.6F18 E23 L24 Q29 I32 L33F18-W21 HydrophobicContact CB-CB 4.19Å; F18-W21 HydrophobicContact CD1-CB 4.48Å; F18-W21 HydrophobicContact CD1-CD2 4.04Å; F18-W21 AromaticContact CD1-CE3 3.58Å; F18-W21 HydrophobicContact CD1-CE3 3.58Å; F18-W21 HydrophobicContact CD1-CG 4.44Å; F18-W21 HydrophobicContact CD1-CZ3 4.15Å; F18-W21 AromaticContact CE1-CE3 3.95Å; F18-W21 HydrophobicContact CE1-CE3 3.95Å; F18-W21 HydrophobicContact CE1-CZ3 4.04Å; F18-W21 VanDerWaalsContact O-CB 3.22Å; F18-W21 WeakPolarHBondContact O-CB 3.43Å; F18-W21 PolarHBondContact O-N 3.26Å; W21-E23 PolarHBondContact O-N 2.73Å; W21-L24 HydrophobicContact CE3-CD1 4.34Å; W21-L24 PolarHBondContact O-N 2.9Å; W21-Q29 HydrophobicContact CD2-CG 4.23Å; W21-Q29 HydrophobicContact CE3-CG 4.06Å; W21-Q29 HydrophobicContact CH2-CB 3.54Å; W21-Q29 HydrophobicContact CH2-CG 3.67Å; W21-Q29 HydrophobicContact CZ2-CB 4.1Å; W21-Q29 HydrophobicContact CZ2-CG 3.83Å; W21-Q29 HydrophobicContact CZ3-CB 3.8Å; W21-Q29 HydrophobicContact CZ3-CG 3.79Å; W21-Q29 PolarHBondContact O-NE2 3.46Å; W21-I32 HydrophobicContact CE3-CG2 4.07Å; W21-I32 HydrophobicContact CZ3-CG2 3.63Å; W21-L33 HydrophobicContact CH2-CD1 3.74Å; W21-L33 HydrophobicContact CH2-CD2 4.22Å; W21-L33 HydrophobicContact CH2-CG 3.84Å; W21-L33 HydrophobicContact CZ3-CD1 4.39Å; W21-L33 HydrophobicContact CZ3-CD2 4.29Å; W21-L33 HydrophobicContact CZ3-CG 3.99Å
22N95.4Very high94.5Very high158 Ų15859.2 Ų59.285%0.84532%0.322SS*.G310 helixtrans-73.6-13.3-179.3-64.4-32000113.6F20F20-N22 VanDerWaalsContact C-N 3.27Å; F20-N22 PolarHBondContact O-N 2.82Å; F20-N22 VanDerWaalsContact O-N 3.1Å
23E95.3Very high94.8Very high118 Ų11858.3 Ų58.355%0.55132%0.319SS*.G310 helixtrans-93.3-16.5175.4-59.2176.1-148.900112.2F20 W21 K210F20-E23 WeakPolarHBondContact O-CA 3.3Å; F20-E23 WeakPolarHBondContact O-CB 3.49Å; F20-E23 PolarHBondContact O-N 3.14Å; W21-E23 PolarHBondContact O-N 2.73Å; E23-K210 IonicContact OE2-NZ 3.4Å; E23-K210 PolarHBondContact OE2-NZ 3.43Å
24L96.3Very high95Very high14 Ų1460.7 Ų60.77%0.07332%0.323CS..  trans-78.4136.8-175.6-58.4-171.2000111.5F20 W21 E28 Q29 I32 K210F20-L24 HydrophobicContact CB-CD2 4.46Å; F20-L24 WeakPolarHBondContact O-CG 3.43Å; F20-L24 PolarHBondContact O-N 3.21Å; W21-L24 HydrophobicContact CE3-CD1 4.34Å; W21-L24 PolarHBondContact O-N 2.9Å; L24-E28 WeakPolarHBondContact CA-OE2 3.35Å; L24-E28 HydrophobicContact CB-CB 3.82Å; L24-E28 HydrophobicContact CD1-CB 4.38Å; L24-E28 HydrophobicContact CD2-CB 4.09Å; L24-E28 HydrophobicContact CG-CB 4.29Å; L24-Q29 HydrophobicContact CB-CG 3.65Å; L24-Q29 HydrophobicContact CD1-CG 4.44Å; L24-Q29 PolarHBondContact O-NE2 3.25Å; L24-I32 HydrophobicContact CD1-CG2 4.07Å; L24-K210 HydrophobicContact CD2-CB 3.77Å
25N97Very high94.9Very high79 Ų7961.3 Ų61.342%0.42233%0.327SS..  trans-75.1172.3166.571.761.2000111.5N27 E28 Q29N25-N27 VanDerWaalsContact C-N 3.29Å; N25-N27 PolarHBondContact O-N 2.81Å; N25-N27 WeakPolarHBondContact OD1-CB 3.2Å; N25-N27 PolarHBondContact OD1-N 3.42Å; N25-E28 VanDerWaalsContact CG-OE2 3.27Å; N25-E28 PolarHBondContact N-OE2 2.8Å; N25-E28 PolarHBondContact ND2-OE2 3.49Å; N25-E28 PolarHBondContact O-N 2.97Å; N25-E28 VanDerWaalsContact O-N 3.17Å; N25-E28 PolarHBondContact OD1-N 3.25Å; N25-E28 VanDerWaalsContact OD1-N 3.14Å; N25-Q29 WeakPolarHBondContact O-CG 3.45Å; N25-Q29 PolarHBondContact O-N 3.18Å
26A96.1Very high94.8Very high72 Ų7256.9 Ų56.960%0.59530%0.303SS*.Hα-helixtrans-59.6-34.2-175.400000114.4S30A26-S30 PolarHBondContact O-N 2.84Å
27N97Very high94.6Very high136 Ų13659.6 Ų59.673%0.72732%0.323SS*.Hα-helixtrans-71.5-42.5177.7-67.4-23.4000110.9N25 S30 E31N25-N27 VanDerWaalsContact C-N 3.29Å; N25-N27 PolarHBondContact O-N 2.81Å; N25-N27 WeakPolarHBondContact OD1-CB 3.2Å; N25-N27 PolarHBondContact OD1-N 3.42Å; N27-S30 WeakPolarHBondContact O-CB 3.31Å; N27-S30 PolarHBondContact O-N 3.17Å; N27-E31 PolarHBondContact O-N 3.23Å
28E97Very high94.3Very high63 Ų6366.2 Ų66.229%0.29435%0.352SS..Hα-helixtrans-65-40.1176.3-73.6173.114800112.1L24 N25 S30 E31 I32L24-E28 WeakPolarHBondContact CA-OE2 3.35Å; L24-E28 HydrophobicContact CB-CB 3.82Å; L24-E28 HydrophobicContact CD1-CB 4.38Å; L24-E28 HydrophobicContact CD2-CB 4.09Å; L24-E28 HydrophobicContact CG-CB 4.29Å; N25-E28 VanDerWaalsContact CG-OE2 3.27Å; N25-E28 PolarHBondContact N-OE2 2.8Å; N25-E28 PolarHBondContact ND2-OE2 3.49Å; N25-E28 PolarHBondContact O-N 2.97Å; N25-E28 VanDerWaalsContact O-N 3.17Å; N25-E28 PolarHBondContact OD1-N 3.25Å; N25-E28 VanDerWaalsContact OD1-N 3.14Å; E28-S30 VanDerWaalsContact C-N 3.31Å; E28-S30 PolarHBondContact O-N 2.83Å; E28-E31 PolarHBondContact O-N 2.82Å; E28-I32 PolarHBondContact O-N 2.9Å; E28-I32 VanDerWaalsContact O-N 3.08Å
29Q96.6Very high94.1Very high55 Ų5565.3 Ų65.326%0.25735%0.349SS..Hα-helixtrans-61.5-40.7171.9-73.9-178.4-8.100111.4W21 L24 N25 I32 L33W21-Q29 HydrophobicContact CD2-CG 4.23Å; W21-Q29 HydrophobicContact CE3-CG 4.06Å; W21-Q29 HydrophobicContact CH2-CB 3.54Å; W21-Q29 HydrophobicContact CH2-CG 3.67Å; W21-Q29 HydrophobicContact CZ2-CB 4.1Å; W21-Q29 HydrophobicContact CZ2-CG 3.83Å; W21-Q29 HydrophobicContact CZ3-CB 3.8Å; W21-Q29 HydrophobicContact CZ3-CG 3.79Å; W21-Q29 PolarHBondContact O-NE2 3.46Å; L24-Q29 HydrophobicContact CB-CG 3.65Å; L24-Q29 HydrophobicContact CD1-CG 4.44Å; L24-Q29 PolarHBondContact O-NE2 3.25Å; N25-Q29 WeakPolarHBondContact O-CG 3.45Å; N25-Q29 PolarHBondContact O-N 3.18Å; Q29-I32 WeakPolarHBondContact O-CG2 3.46Å; Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 WeakPolarHBondContact O-CG 3.19Å; Q29-L33 PolarHBondContact O-N 2.98Å; Q29-L33 VanDerWaalsContact O-N 3.16Å
30S94.8Very high93.7Very high58 Ų5866.7 Ų66.741%0.40635%0.354SS..Hα-helixtrans-67.5-39.3175.5-172.40000112.2A26 N27 E28 N34A26-S30 PolarHBondContact O-N 2.84Å; N27-S30 WeakPolarHBondContact O-CB 3.31Å; N27-S30 PolarHBondContact O-N 3.17Å; E28-S30 VanDerWaalsContact C-N 3.31Å; E28-S30 PolarHBondContact O-N 2.83Å; S30-N34 WeakPolarHBondContact O-CB 3.4Å; S30-N34 PolarHBondContact O-N 2.93Å; S30-N34 PolarHBondContact O-ND2 2.91Å; S30-N34 VanDerWaalsContact O-ND2 3.11Å
31E94.6Very high93.4Very high69 Ų6967.2 Ų67.232%0.32236%0.356SS..Hα-helixtrans-58.4-52.8177.5-174.2-179-155.200111.2N27 E28 L33 N34 D35 S211N27-E31 PolarHBondContact O-N 3.23Å; E28-E31 PolarHBondContact O-N 2.82Å; E31-L33 PolarHBondContact O-N 3.03Å; E31-N34 WeakPolarHBondContact O-CB 3.35Å; E31-N34 PolarHBondContact O-N 3.47Å; E31-D35 PolarHBondContact O-N 3.49Å; E31-D35 VanDerWaalsContact O-N 3.08Å; E31-S211 WeakPolarHBondContact OE2-CB 3.4Å; E31-S211 PolarHBondContact OE2-OG 3.49Å
32I93.9Very high93Very high1 Ų167 Ų671%0.00536%0.364CS..Hα-helixtrans-66.8-39-177.7-160.4167.9000112.1L17 W21 L24 E28 Q29 N34 D35 I36 L207 S211L17-I32 WeakPolarHBondContact O-CD1 3.3Å; W21-I32 HydrophobicContact CE3-CG2 4.07Å; W21-I32 HydrophobicContact CZ3-CG2 3.63Å; L24-I32 HydrophobicContact CD1-CG2 4.07Å; E28-I32 PolarHBondContact O-N 2.9Å; E28-I32 VanDerWaalsContact O-N 3.08Å; Q29-I32 WeakPolarHBondContact O-CG2 3.46Å; I32-N34 VanDerWaalsContact C-N 3.32Å; I32-N34 PolarHBondContact O-N 3.12Å; I32-D35 PolarHBondContact O-N 3.22Å; I32-I36 HydrophobicContact CG1-CD1 3.99Å; I32-I36 HydrophobicContact CG1-CG1 4.46Å; I32-I36 WeakPolarHBondContact O-CB 3.47Å; I32-I36 VanDerWaalsContact O-CG1 3.26Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.45Å; I32-L207 HydrophobicContact CD1-CD2 4.4Å; I32-S211 VanDerWaalsContact CA-O 3.23Å; I32-S211 WeakPolarHBondContact CA-O 3.29Å; I32-S211 WeakPolarHBondContact CB-O 3.47Å; I32-S211 PolarHBondContact N-O 2.83Å
33L93.9Very high92.5Very high49 Ų4961.1 Ų61.126%0.25734%0.337SS..Hα-helixtrans-63.2-39.3175.3-74.7178.6000111.6F18 W21 Q29 E31 I36 S37F18-L33 HydrophobicContact CE1-CD2 4.13Å; F18-L33 HydrophobicContact CZ-CD2 4.41Å; W21-L33 HydrophobicContact CH2-CD1 3.74Å; W21-L33 HydrophobicContact CH2-CD2 4.22Å; W21-L33 HydrophobicContact CH2-CG 3.84Å; W21-L33 HydrophobicContact CZ3-CD1 4.39Å; W21-L33 HydrophobicContact CZ3-CD2 4.29Å; W21-L33 HydrophobicContact CZ3-CG 3.99Å; Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 WeakPolarHBondContact O-CG 3.19Å; Q29-L33 PolarHBondContact O-N 2.98Å; Q29-L33 VanDerWaalsContact O-N 3.16Å; E31-L33 PolarHBondContact O-N 3.03Å; L33-I36 PolarHBondContact O-N 2.85Å; L33-S37 VanDerWaalsContact O-CB 3.29Å; L33-S37 WeakPolarHBondContact O-CB 3.43Å; L33-S37 PolarHBondContact O-N 3.36Å
34N92.2Very high92.1Very high85 Ų8556.1 Ų56.146%0.45531%0.314SS..Hα-helixtrans-63.1-43.2176.4-74.4-26.3000111.2S30 E31 I32 S37 K38S30-N34 WeakPolarHBondContact O-CB 3.4Å; S30-N34 PolarHBondContact O-N 2.93Å; S30-N34 PolarHBondContact O-ND2 2.91Å; S30-N34 VanDerWaalsContact O-ND2 3.11Å; E31-N34 WeakPolarHBondContact O-CB 3.35Å; E31-N34 PolarHBondContact O-N 3.47Å; I32-N34 VanDerWaalsContact C-N 3.32Å; I32-N34 PolarHBondContact O-N 3.12Å; N34-S37 PolarHBondContact O-N 2.86Å; N34-S37 PolarHBondContact O-OG 3.2Å; N34-K38 WeakPolarHBondContact O-CE 3.04Å; N34-K38 WeakPolarHBondContact O-CG 3.35Å
35D91.3Very high91.6Very high28 Ų2856.8 Ų56.815%0.1532%0.324CS..Hα-helixtrans-66.9-44.3177.3-81.4-4.3000112.6E31 I32 S37 K38 L213E31-D35 PolarHBondContact O-N 3.49Å; E31-D35 VanDerWaalsContact O-N 3.08Å; I32-D35 PolarHBondContact O-N 3.22Å; D35-S37 VanDerWaalsContact C-N 3.29Å; D35-S37 PolarHBondContact O-N 2.64Å; D35-K38 PolarHBondContact O-N 3.17Å; D35-K38 IonicContact OD1-NZ 3.55Å; D35-K38 PolarHBondContact OD1-NZ 2.64Å; D35-L213 HydrophobicContact CB-CB 4.34Å; D35-L213 HydrophobicContact CB-CD1 3.8Å; D35-L213 HydrophobicContact CB-CG 3.74Å; D35-L213 PolarHBondContact OD2-N 3.11Å
36I91.5Very high91.1Very high2 Ų261.1 Ų61.11%0.0134%0.335CS..Hα-helixtrans-60.2-40.1175.7-71171.6000111.2V4 I9 L17 F18 I32 L33 K38 I39 F41 L213V4-I36 HydrophobicContact CG1-CG2 4.14Å; I9-I36 HydrophobicContact CD1-CG2 3.52Å; I9-I36 HydrophobicContact CG1-CG2 4.39Å; L17-I36 HydrophobicContact CB-CD1 4.13Å; L17-I36 HydrophobicContact CD1-CD1 4.28Å; L17-I36 HydrophobicContact CD1-CG1 4.13Å; F18-I36 HydrophobicContact CE1-CD1 4.05Å; F18-I36 HydrophobicContact CE2-CD1 4.19Å; F18-I36 HydrophobicContact CZ-CD1 3.68Å; I32-I36 HydrophobicContact CG1-CD1 3.99Å; I32-I36 HydrophobicContact CG1-CG1 4.46Å; I32-I36 WeakPolarHBondContact O-CB 3.47Å; I32-I36 VanDerWaalsContact O-CG1 3.26Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.45Å; L33-I36 PolarHBondContact O-N 2.85Å; I36-K38 PolarHBondContact O-N 2.93Å; I36-I39 WeakPolarHBondContact O-CB 3.21Å; I36-I39 PolarHBondContact O-N 3.04Å; I36-F41 HydrophobicContact CG2-CE2 4.12Å; I36-F41 HydrophobicContact CG2-CZ 4.12Å; I36-L213 HydrophobicContact CG1-CD1 4.37Å
37S90Very high90.7Very high67 Ų6758.4 Ų58.447%0.46931%0.31SS..Hα-helixtrans-63-24.1-178.676.40000113.8L33 N34 D35 I39L33-S37 VanDerWaalsContact O-CB 3.29Å; L33-S37 WeakPolarHBondContact O-CB 3.43Å; L33-S37 PolarHBondContact O-N 3.36Å; N34-S37 PolarHBondContact O-N 2.86Å; N34-S37 PolarHBondContact O-OG 3.2Å; D35-S37 VanDerWaalsContact C-N 3.29Å; D35-S37 PolarHBondContact O-N 2.64Å; S37-I39 VanDerWaalsContact C-N 3.29Å
38K88.5Confident90.1Very high141 Ų14153.9 Ų53.961%0.61328%0.284SS*.THydrogen-bonded Turntrans-80.9-9.6178.8-61.7162.3-163.3162.80112.6N34 D35 I36N34-K38 WeakPolarHBondContact O-CE 3.04Å; N34-K38 WeakPolarHBondContact O-CG 3.35Å; D35-K38 PolarHBondContact O-N 3.17Å; D35-K38 IonicContact OD1-NZ 3.55Å; D35-K38 PolarHBondContact OD1-NZ 2.64Å; I36-K38 PolarHBondContact O-N 2.93Å
39I88.3Confident89.5Confident26 Ų2656.9 Ų56.913%0.13330%0.302CS..  trans-91.4126.7-172-70170.1000111.8I36 S37 F41 L44 P197 I205 L213I36-I39 WeakPolarHBondContact O-CB 3.21Å; I36-I39 PolarHBondContact O-N 3.04Å; S37-I39 VanDerWaalsContact C-N 3.29Å; I39-F41 HydrophobicContact CB-CD2 4.39Å; I39-F41 HydrophobicContact CB-CE2 4.05Å; I39-F41 HydrophobicContact CB-CZ 4.15Å; I39-F41 HydrophobicContact CD1-CZ 4.41Å; I39-F41 HydrophobicContact CG2-CB 4.48Å; I39-F41 HydrophobicContact CG2-CD1 3.73Å; I39-F41 HydrophobicContact CG2-CD2 3.76Å; I39-F41 HydrophobicContact CG2-CE1 3.76Å; I39-F41 HydrophobicContact CG2-CE2 3.79Å; I39-F41 HydrophobicContact CG2-CG 3.72Å; I39-F41 HydrophobicContact CG2-CZ 3.79Å; I39-F41 PolarHBondContact O-N 3.12Å; I39-L44 HydrophobicContact CB-CD1 4.47Å; I39-L44 HydrophobicContact CG1-CD1 4.5Å; I39-L44 HydrophobicContact CG2-CD1 3.35Å; I39-L44 HydrophobicContact CG2-CG 4.3Å; I39-P197 HydrophobicContact CD1-CG 3.7Å; I39-P197 HydrophobicContact CG1-CG 3.96Å; I39-I205 HydrophobicContact CD1-CD1 3.92Å; I39-L213 HydrophobicContact CD1-CD1 3.31Å
40N87.2Confident88.8Confident100 Ų10058.2 Ų58.254%0.53531%0.314SS..  trans-90.187.1164.4-173.5-28000110.1P42 A43 L44N40-P42 WeakPolarHBondContact OD1-CD 3.48Å; N40-A43 HydrophobicContact CB-CB 4.02Å; N40-A43 VanDerWaalsContact CG-CB 3.49Å; N40-A43 PolarHBondContact O-N 2.95Å; N40-A43 WeakPolarHBondContact OD1-CB 3.27Å; N40-A43 PolarHBondContact OD1-N 2.85Å; N40-L44 WeakPolarHBondContact O-CG 3.37Å; N40-L44 PolarHBondContact O-N 2.81Å
41F89.4Confident87.7Confident21 Ų2159.8 Ų59.89%0.09232%0.322CS..Hα-helixtrans-57.5-43.5-177.1-67.9-83.4000114.2I9 H12 Q14 L17 I36 I39 A43 L44 G45 I205I9-F41 HydrophobicContact CG1-CE2 3.94Å; I9-F41 HydrophobicContact CG1-CZ 4.02Å; H12-F41 HydrophobicContact CB-CB 4.07Å; H12-F41 HydrophobicContact CB-CD1 4.28Å; H12-F41 HydrophobicContact CB-CG 4.46Å; H12-F41 WeakPolarHBondContact CD2-CB 3.48Å; Q14-F41 HydrophobicContact CB-CD1 4.44Å; Q14-F41 HydrophobicContact CB-CE1 3.94Å; Q14-F41 HydrophobicContact CG-CD1 3.95Å; Q14-F41 HydrophobicContact CG-CE1 3.84Å; L17-F41 HydrophobicContact CD1-CE1 4.34Å; L17-F41 HydrophobicContact CD1-CZ 4.34Å; I36-F41 HydrophobicContact CG2-CE2 4.12Å; I36-F41 HydrophobicContact CG2-CZ 4.12Å; I39-F41 HydrophobicContact CB-CD2 4.39Å; I39-F41 HydrophobicContact CB-CE2 4.05Å; I39-F41 HydrophobicContact CB-CZ 4.15Å; I39-F41 HydrophobicContact CD1-CZ 4.41Å; I39-F41 HydrophobicContact CG2-CB 4.48Å; I39-F41 HydrophobicContact CG2-CD1 3.73Å; I39-F41 HydrophobicContact CG2-CD2 3.76Å; I39-F41 HydrophobicContact CG2-CE1 3.76Å; I39-F41 HydrophobicContact CG2-CE2 3.79Å; I39-F41 HydrophobicContact CG2-CG 3.72Å; I39-F41 HydrophobicContact CG2-CZ 3.79Å; I39-F41 PolarHBondContact O-N 3.12Å; F41-A43 VanDerWaalsContact C-N 3.33Å; F41-A43 PolarHBondContact O-N 2.76Å; F41-L44 PolarHBondContact O-N 2.82Å; F41-G45 PolarHBondContact O-N 2.8Å; F41-I205 HydrophobicContact CE1-CD1 4.05Å
42P87.2Confident86.4Confident65 Ų6560.2 Ų60.242%0.42233%0.331SS..Hα-helixtrans-57.4-42.4174.1-2734.2000113.6N40 R46N40-P42 WeakPolarHBondContact OD1-CD 3.48Å; P42-R46 WeakPolarHBondContact O-CG 3.45Å; P42-R46 PolarHBondContact O-N 2.76Å
43A84.9Confident84.9Confident34 Ų3463.3 Ų63.328%0.28135%0.348SS..Hα-helixtrans-66.8-45.1177.300000111.5N40 F41 G45 R46 I47N40-A43 HydrophobicContact CB-CB 4.02Å; N40-A43 VanDerWaalsContact CG-CB 3.49Å; N40-A43 PolarHBondContact O-N 2.95Å; N40-A43 WeakPolarHBondContact OD1-CB 3.27Å; N40-A43 PolarHBondContact OD1-N 2.85Å; F41-A43 VanDerWaalsContact C-N 3.33Å; F41-A43 PolarHBondContact O-N 2.76Å; A43-G45 VanDerWaalsContact C-N 3.34Å; A43-G45 PolarHBondContact O-N 3.04Å; A43-R46 PolarHBondContact O-N 2.92Å; A43-I47 VanDerWaalsContact O-CG1 3.3Å; A43-I47 WeakPolarHBondContact O-CG1 3.44Å; A43-I47 PolarHBondContact O-N 2.69Å
44L86.5Confident83Confident13 Ų1371.1 Ų71.17%0.06837%0.374CS..Hα-helixtrans-60.9-41.2177.1-71.1-173.6000112.5I39 N40 F41 R46 I47 F48 L196 P197 F199 I205I39-L44 HydrophobicContact CB-CD1 4.47Å; I39-L44 HydrophobicContact CG1-CD1 4.5Å; I39-L44 HydrophobicContact CG2-CD1 3.35Å; I39-L44 HydrophobicContact CG2-CG 4.3Å; N40-L44 WeakPolarHBondContact O-CG 3.37Å; N40-L44 PolarHBondContact O-N 2.81Å; F41-L44 PolarHBondContact O-N 2.82Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.05Å; L44-I47 HydrophobicContact CD2-CD1 4.21Å; L44-I47 PolarHBondContact O-N 3.46Å; L44-F48 PolarHBondContact O-N 2.85Å; L44-L196 HydrophobicContact CD2-CD2 3.8Å; L44-P197 HydrophobicContact CD1-CG 3.87Å; L44-F199 HydrophobicContact CB-CZ 4.03Å; L44-F199 HydrophobicContact CD1-CZ 3.91Å; L44-F199 HydrophobicContact CD2-CZ 4.09Å; L44-F199 HydrophobicContact CG-CZ 4.23Å; L44-I205 HydrophobicContact CD1-CD1 4.35Å
45G86.6Confident81.2Confident28 Ų2870.2 Ų70.229%0.28937%0.374SS..Hα-helixtrans-60.3-38.7175.600000112.7F41 A43 N49F41-G45 PolarHBondContact O-N 2.8Å; A43-G45 VanDerWaalsContact C-N 3.34Å; A43-G45 PolarHBondContact O-N 3.04Å; G45-N49 WeakPolarHBondContact O-CB 3.49Å; G45-N49 VanDerWaalsContact O-CG 3.27Å; G45-N49 PolarHBondContact O-N 3.36Å; G45-N49 VanDerWaalsContact O-N 3.08Å; G45-N49 PolarHBondContact O-ND2 2.86Å
46R85.7Confident80Confident171 Ų17173 Ų7365%0.64540%0.396SS*.Hα-helixtrans-66.9-42.1174.2-68.3176.9-170.4172.43.3112.1P42 A43 L44 N49 T50P42-R46 WeakPolarHBondContact O-CG 3.45Å; P42-R46 PolarHBondContact O-N 2.76Å; A43-R46 PolarHBondContact O-N 2.92Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.05Å; R46-N49 PolarHBondContact O-N 3.24Å; R46-T50 PolarHBondContact O-N 2.86Å; R46-T50 VanDerWaalsContact O-N 3.08Å; R46-T50 PolarHBondContact O-OG1 3.47Å
47I86.7Confident79.6Confident15 Ų1574.2 Ų74.28%0.07741%0.409CS..Hα-helixtrans-60.6-48.7177.6-65.6165.2000110A43 L44 N49 T50 Y364 F392A43-I47 VanDerWaalsContact O-CG1 3.3Å; A43-I47 WeakPolarHBondContact O-CG1 3.44Å; A43-I47 PolarHBondContact O-N 2.69Å; L44-I47 HydrophobicContact CD2-CD1 4.21Å; L44-I47 PolarHBondContact O-N 3.46Å; I47-N49 PolarHBondContact O-N 3.01Å; I47-T50 WeakPolarHBondContact O-CB 3.45Å; I47-T50 PolarHBondContact O-N 2.67Å; I47-Y364 HydrophobicContact CB-CD2 4.43Å; I47-Y364 HydrophobicContact CD1-CD1 4.43Å; I47-Y364 HydrophobicContact CD1-CD2 3.9Å; I47-Y364 HydrophobicContact CD1-CE1 4.02Å; I47-Y364 HydrophobicContact CD1-CE2 3.4Å; I47-Y364 HydrophobicContact CD1-CG 4.36Å; I47-Y364 VanDerWaalsContact CD1-CZ 3.45Å; I47-Y364 HydrophobicContact CG1-CD2 3.61Å; I47-Y364 HydrophobicContact CG1-CE2 3.54Å; I47-Y364 HydrophobicContact CG1-CG 4.22Å; I47-Y364 HydrophobicContact CG2-CD1 4.31Å; I47-Y364 HydrophobicContact CG2-CD2 4.06Å; I47-Y364 HydrophobicContact CG2-CG 3.84Å; I47-F392 HydrophobicContact CG2-CB 4.06Å; I47-F392 HydrophobicContact CG2-CD1 3.5Å; I47-F392 VanDerWaalsContact CG2-CD1 3.5Å; I47-F392 HydrophobicContact CG2-CD2 3.88Å; I47-F392 HydrophobicContact CG2-CE1 3.82Å; I47-F392 HydrophobicContact CG2-CE2 4.19Å; I47-F392 HydrophobicContact CG2-CG 3.52Å; I47-F392 HydrophobicContact CG2-CZ 4.16Å
48F85.7Confident79.5Confident40 Ų4072 Ų7218%0.17539%0.391CS..Hα-helixtrans-64-39.6-179.1-171.3-92.2000113L44 T50 F199 I390 F392L44-F48 PolarHBondContact O-N 2.85Å; F48-T50 VanDerWaalsContact C-N 3.25Å; F48-T50 PolarHBondContact O-N 3.4Å; F48-F199 HydrophobicContact CD2-CB 4.18Å; F48-F199 HydrophobicContact CD2-CD1 4.26Å; F48-F199 HydrophobicContact CD2-CG 4.12Å; F48-F199 HydrophobicContact CE2-CB 4.07Å; F48-I390 HydrophobicContact CE2-CD1 3.79Å; F48-I390 HydrophobicContact CZ-CD1 4.27Å; F48-F392 HydrophobicContact CB-CZ 4.44Å; F48-F392 AromaticContact CD2-CE2 3.98Å; F48-F392 HydrophobicContact CD2-CE2 3.98Å; F48-F392 AromaticContact CD2-CZ 3.97Å; F48-F392 HydrophobicContact CD2-CZ 3.97Å
49N84.5Confident79.6Confident127 Ų12767.3 Ų67.368%0.67937%0.373SS*.Hα-helixtrans-79.1-5.2179.1-69.9-37.4000113.7G45 R46 I47G45-N49 WeakPolarHBondContact O-CB 3.49Å; G45-N49 VanDerWaalsContact O-CG 3.27Å; G45-N49 PolarHBondContact O-N 3.36Å; G45-N49 VanDerWaalsContact O-N 3.08Å; G45-N49 PolarHBondContact O-ND2 2.86Å; R46-N49 PolarHBondContact O-N 3.24Å; I47-N49 PolarHBondContact O-N 3.01Å
50T80.4Confident79.8Confident83 Ų8373.2 Ų73.251%0.50941%0.405SS..SBendtrans-67.3126.5173.4-60.70000108.4R46 I47 F48R46-T50 PolarHBondContact O-N 2.86Å; R46-T50 VanDerWaalsContact O-N 3.08Å; R46-T50 PolarHBondContact O-OG1 3.47Å; I47-T50 WeakPolarHBondContact O-CB 3.45Å; I47-T50 PolarHBondContact O-N 2.67Å; F48-T50 VanDerWaalsContact C-N 3.25Å; F48-T50 PolarHBondContact O-N 3.4Å
51P71.9Confident80.1Confident90 Ų9073 Ų7358%0.58440%0.399SS*.PPolyproline II helixtrans-54143179.9-24.532.4000111.2N53P51-N53 PolarHBondContact O-N 2.75Å
52P68.9Low80.3Confident78 Ų7872.2 Ų72.251%0.50640%0.396SS..PPolyproline II helixtrans-56.6143.5170.724.9-32000109.3R54P52-R54 PolarHBondContact O-N 3.26Å
53N61.4Low80.8Confident67 Ų6773.6 Ų73.636%0.35840%0.399SS..  trans-47.1107.2-179.6-59.5-34.6000109.9P51 S55 R363P51-N53 PolarHBondContact O-N 2.75Å; N53-S55 PolarHBondContact O-N 3.38Å; N53-R363 VanDerWaalsContact CB-NH2 3.33Å; N53-R363 VanDerWaalsContact CG-CZ 3.49Å; N53-R363 PolarHBondContact ND2-NH2 3.34Å; N53-R363 PolarHBondContact OD1-NE 2.77Å; N53-R363 PolarHBondContact OD1-NH2 2.77Å
54R53.5Low81.2Confident212 Ų21273.8 Ų73.880%0.840%0.398SS*.  trans-80.6106.9168.8-67.8-171.7179.8-169.50.3106.2P52 S56P52-R54 PolarHBondContact O-N 3.26Å; R54-S56 WeakPolarHBondContact CB-OG 3.24Å; R54-S56 PolarHBondContact O-N 3.29Å; R54-S56 VanDerWaalsContact O-N 3.13Å
55S55.8Low81.7Confident66 Ų6673.7 Ų73.746%0.46240%0.398SS..  trans-61-5.3162.4450000112.6N53 G57 I58N53-S55 PolarHBondContact O-N 3.38Å; S55-G57 PolarHBondContact O-N 3.22Å; S55-I58 WeakPolarHBondContact O-CG2 3.45Å; S55-I58 PolarHBondContact O-N 3.2Å; S55-I58 VanDerWaalsContact O-N 3.09Å
56S65.5Low82Confident88 Ų8875.9 Ų75.962%0.61540%0.403SS*.THydrogen-bonded Turntrans-57.6111.9-178.963.20000111.3R54R54-S56 WeakPolarHBondContact CB-OG 3.24Å; R54-S56 PolarHBondContact O-N 3.29Å; R54-S56 VanDerWaalsContact O-N 3.13Å
57G83.1Confident82.3Confident26 Ų2672.1 Ų72.127%0.26840%0.403SS..THydrogen-bonded Turntrans82.511.5176.300000115S55 D59 D60 K61S55-G57 PolarHBondContact O-N 3.22Å; G57-D59 VanDerWaalsContact C-N 3.31Å; G57-D60 PolarHBondContact O-N 3.13Å; G57-K61 WeakPolarHBondContact O-CG 3.27Å; G57-K61 PolarHBondContact O-N 3.34Å
58I88.7Confident82.6Confident20 Ų2079 Ų7910%0.10343%0.432CS..Hα-helixtrans-66.1-38172.9-164.3157.9000111.1S55 D60 K61 L62 V292 V299 E303S55-I58 WeakPolarHBondContact O-CG2 3.45Å; S55-I58 PolarHBondContact O-N 3.2Å; S55-I58 VanDerWaalsContact O-N 3.09Å; I58-D60 VanDerWaalsContact C-N 3.26Å; I58-D60 PolarHBondContact O-N 3.45Å; I58-K61 PolarHBondContact O-N 3.19Å; I58-L62 VanDerWaalsContact O-CB 3.23Å; I58-L62 WeakPolarHBondContact O-CB 3.15Å; I58-L62 PolarHBondContact O-N 3.08Å; I58-V292 HydrophobicContact CD1-CG2 4.5Å; I58-V292 HydrophobicContact CG1-CG2 4.27Å; I58-V299 HydrophobicContact CD1-CG1 3.73Å; I58-V299 HydrophobicContact CD1-CG2 4.17Å; I58-V299 HydrophobicContact CG1-CG1 4.4Å; I58-E303 HydrophobicContact CD1-CB 4.47Å; I58-E303 WeakPolarHBondContact CG2-O 3.45Å
59D90.3Very high83.1Confident43 Ų4378.3 Ų78.323%0.2343%0.43CS..Hα-helixtrans-53.7-41.6173.7-64.1-103.6000112.3G57 K61 S305 T308G57-D59 VanDerWaalsContact C-N 3.31Å; D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.48Å; D59-S305 WeakPolarHBondContact OD1-CB 3.44Å; D59-S305 PolarHBondContact OD1-N 3.05Å; D59-S305 PolarHBondContact OD1-OG 3.01Å; D59-T308 WeakPolarHBondContact OD1-CB 3.2Å; D59-T308 PolarHBondContact OD1-OG1 3.04Å
60D91.6Very high83.7Confident150 Ų15073.1 Ų73.180%0.80240%0.404SS*.Hα-helixtrans-74-19.5-179.1-58.9-42.8000113.3G57 I58G57-D60 PolarHBondContact O-N 3.13Å; I58-D60 VanDerWaalsContact C-N 3.26Å; I58-D60 PolarHBondContact O-N 3.45Å
61K93.1Very high84.5Confident97 Ų9772.5 Ų72.542%0.42239%0.394SS..Hα-helixtrans-105.1-19.5-174.9-68174.6166.1-153.60113.6G57 I58 D59 L63 V292 D293G57-K61 WeakPolarHBondContact O-CG 3.27Å; G57-K61 PolarHBondContact O-N 3.34Å; I58-K61 PolarHBondContact O-N 3.19Å; D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.48Å; K61-L63 PolarHBondContact O-N 3.3Å; K61-V292 HydrophobicContact CB-CG1 3.9Å; K61-V292 HydrophobicContact CD-CG1 4.29Å; K61-D293 WeakPolarHBondContact CD-OD1 3.14Å; K61-D293 WeakPolarHBondContact CE-OD1 3.44Å; K61-D293 IonicContact NZ-OD1 3.81Å; K61-D293 PolarHBondContact NZ-OD1 2.82Å; K61-D293 IonicContact NZ-OD2 2.76Å; K61-D293 PolarHBondContact NZ-OD2 2.81Å
62L95.1Very high85.7Confident4 Ų468.5 Ų68.52%0.02137%0.368CS..  trans-76.5117.9-173178.259.2000110.5I58 V292 V299 I304 T308 Y335I58-L62 VanDerWaalsContact O-CB 3.23Å; I58-L62 WeakPolarHBondContact O-CB 3.15Å; I58-L62 PolarHBondContact O-N 3.08Å; L62-V292 HydrophobicContact CB-CG2 4.35Å; L62-V292 HydrophobicContact CD1-CG2 3.78Å; L62-V299 HydrophobicContact CD1-CG2 3.79Å; L62-V299 HydrophobicContact CD2-CG2 4.49Å; L62-I304 HydrophobicContact CD2-CG2 3.6Å; L62-T308 HydrophobicContact CD2-CG2 4.31Å; L62-Y335 HydrophobicContact CD1-CD1 4.45Å; L62-Y335 HydrophobicContact CD1-CE1 4.18Å; L62-Y335 HydrophobicContact CD2-CD1 3.98Å; L62-Y335 HydrophobicContact CD2-CD2 4.45Å; L62-Y335 HydrophobicContact CD2-CE1 3.82Å; L62-Y335 HydrophobicContact CD2-CE2 4.3Å; L62-Y335 HydrophobicContact CD2-CG 4.29Å; L62-Y335 HydrophobicContact CG-CD1 4Å; L62-Y335 HydrophobicContact CG-CE1 3.47Å; L62-Y335 VanDerWaalsContact CG-CE1 3.47Å; L62-Y335 PolarHBondContact O-OH 3.42Å
63L96Very high87.1Confident93 Ų9364.9 Ų64.949%0.48734%0.344SS..BIsolated β-bridgetrans-113.5146.5175.1-62174000110.6K61 V291K61-L63 PolarHBondContact O-N 3.3Å; L63-V291 HydrophobicContact CB-CB 4.27Å; L63-V291 PolarHBondContact N-O 3.2Å; L63-V291 PolarHBondContact O-N 3.18Å
64P95.2Very high88.8Confident38 Ų3864.2 Ų64.225%0.24735%0.345CS..PPolyproline II helixtrans-65.6149170.928.5-34.2000110.2Y316 V334 Y335P64-Y316 WeakPolarHBondContact CD-OH 3.13Å; P64-Y316 HydrophobicContact CG-CE1 4.12Å; P64-V334 HydrophobicContact CB-CG1 3.92Å; P64-V334 HydrophobicContact CG-CG1 3.9Å; P64-Y335 HydrophobicContact CB-CE1 4.43Å
65P95.2Very high90.8Very high11 Ų1159.8 Ų59.87%0.07133%0.333CS..PPolyproline II helixtrans-60.2149.2173.2-22.634.4000112.5S67 I69 V289 Y296 I408P65-S67 PolarHBondContact O-N 3.45Å; P65-I69 HydrophobicContact CB-CD1 4.42Å; P65-V289 WeakPolarHBondContact CG-O 3.32Å; P65-Y296 HydrophobicContact CB-CE1 4.4Å; P65-I408 HydrophobicContact CB-CD1 3.57Å; P65-I408 HydrophobicContact CG-CD1 3.48Å; P65-I408 VanDerWaalsContact CG-CD1 3.48Å
66D93.7Very high92.8Very high74 Ų7456.9 Ų56.940%0.39631%0.312SS..PPolyproline II helixtrans-63.2128173.8-174.1-21.2000110.2K68 I69 C70D66-K68 PolarHBondContact O-N 3.43Å; D66-K68 WeakPolarHBondContact OD1-CG 3.38Å; D66-K68 PolarHBondContact OD1-N 3.05Å; D66-I69 WeakPolarHBondContact O-CG1 3.25Å; D66-I69 PolarHBondContact O-N 2.95Å; D66-C70 PolarHBondContact O-SG 3.32Å; D66-C70 VanDerWaalsContact O-SG 3.33Å
67S91.8Very high94.3Very high92 Ų9257.6 Ų57.664%0.64330%0.302SS*.G310 helixtrans-47.8-29.317364.20000114.6P65 I69 C70P65-S67 PolarHBondContact O-N 3.45Å; S67-I69 VanDerWaalsContact C-N 3.29Å; S67-I69 PolarHBondContact O-N 3.04Å; S67-C70 PolarHBondContact O-N 2.92Å
68K93.6Very high95Very high161 Ų16161.9 Ų61.970%0.732%0.323SS*.G310 helixtrans-66-29.3-179.7-68172.2-172.4161.30113.4D66D66-K68 PolarHBondContact O-N 3.43Å; D66-K68 WeakPolarHBondContact OD1-CG 3.38Å; D66-K68 PolarHBondContact OD1-N 3.05Å
69I95.6Very high95.4Very high24 Ų2464.5 Ų64.512%0.12334%0.343CS..G310 helixtrans-95-0178.568144.4000112.7P65 D66 S67 Y264 Y296 F406 F407 I408P65-I69 HydrophobicContact CB-CD1 4.42Å; D66-I69 WeakPolarHBondContact O-CG1 3.25Å; D66-I69 PolarHBondContact O-N 2.95Å; S67-I69 VanDerWaalsContact C-N 3.29Å; S67-I69 PolarHBondContact O-N 3.04Å; I69-Y264 PolarHBondContact O-OH 3.16Å; I69-Y264 VanDerWaalsContact O-OH 3.04Å; I69-Y296 HydrophobicContact CD1-CD1 4.24Å; I69-Y296 HydrophobicContact CD1-CE1 3.4Å; I69-Y296 HydrophobicContact CD1-CE2 4.36Å; I69-Y296 VanDerWaalsContact CD1-CZ 3.47Å; I69-Y296 WeakPolarHBondContact CD1-OH 3.46Å; I69-F406 HydrophobicContact CD1-CD1 4.35Å; I69-F407 HydrophobicContact CB-CD1 3.89Å; I69-F407 HydrophobicContact CB-CE1 4.3Å; I69-F407 HydrophobicContact CG2-CD1 4.3Å; I69-F407 HydrophobicContact CG2-CE1 4.23Å; I69-I408 HydrophobicContact CD1-CD1 4.48Å; I69-I408 HydrophobicContact CD1-CG1 4.47Å; I69-I408 PolarHBondContact O-N 2.98Å
70C97Very high95.8Very high19 Ų1966.7 Ų66.713%0.12835%0.352CS..EExtended strand (participates in β ladder)trans-107.5133.3-179.8-55.60000109.5D66 S67 I408D66-C70 PolarHBondContact O-SG 3.32Å; D66-C70 VanDerWaalsContact O-SG 3.33Å; S67-C70 PolarHBondContact O-N 2.92Å; C70-I408 WeakPolarHBondContact CA-O 3.46Å; C70-I408 HydrophobicContact CB-CB 4.45Å
71K97.8Very high96.1Very high69 Ų6963 Ų6330%0.334%0.336SS..EExtended strand (participates in β ladder)trans-133.3142169.8-67.2-62.3172.6-159.50110.3L76 Y264 I408 W409 E410K71-L76 HydrophobicContact CB-CD1 4.08Å; K71-Y264 HydrophobicContact CB-CE2 4.03Å; K71-Y264 HydrophobicContact CG-CD2 4.16Å; K71-Y264 HydrophobicContact CG-CE2 3.4Å; K71-I408 PolarHBondContact N-O 3.35Å; K71-W409 HydrophobicContact CB-CE3 3.74Å; K71-W409 HydrophobicContact CB-CZ3 3.63Å; K71-W409 CarbonylContact O-C 3.03Å; K71-E410 PolarHBondContact O-N 3.04Å
72S97.9Very high96.3Very high6 Ų669 Ų694%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-107127.4175.3170.70000110.5S74 E75 L76 E410S72-S74 VanDerWaalsContact C-N 3.27Å; S72-S74 PolarHBondContact O-N 3.03Å; S72-S74 PolarHBondContact OG-N 3.23Å; S72-S74 PolarHBondContact OG-OG 3.28Å; S72-E75 PolarHBondContact O-N 2.85Å; S72-E75 PolarHBondContact OG-N 3.26Å; S72-L76 WeakPolarHBondContact O-CB 3.41Å; S72-L76 WeakPolarHBondContact O-CG 3.48Å; S72-L76 PolarHBondContact O-N 3.28Å; S72-E410 WeakPolarHBondContact CA-O 3.44Å
73L98.1Very high96.5Very high3 Ų370.9 Ų70.92%0.01637%0.366CS..Hα-helixtrans-57.3-42.2175.3171.859.4000111.1L76 R77 L84 W409 E410 V411L73-L76 PolarHBondContact O-N 3.12Å; L73-R77 WeakPolarHBondContact O-CB 3.32Å; L73-R77 PolarHBondContact O-N 3.23Å; L73-L84 HydrophobicContact CD1-CD1 3.54Å; L73-L84 HydrophobicContact CD1-CD2 3.74Å; L73-L84 HydrophobicContact CD1-CG 4.24Å; L73-W409 HydrophobicContact CB-CH2 4.41Å; L73-W409 HydrophobicContact CB-CZ2 3.73Å; L73-W409 HydrophobicContact CD1-CZ2 3.94Å; L73-W409 HydrophobicContact CG-CZ2 4.34Å; L73-E410 PolarHBondContact N-O 3.23Å; L73-V411 HydrophobicContact CB-CG1 4.44Å; L73-V411 HydrophobicContact CD2-CG1 4.24Å
74S96Very high96.6Very high52 Ų5267.1 Ų67.136%0.36435%0.346SS..Hα-helixtrans-67-42.2-179.662.20000112.4S72 R77S72-S74 VanDerWaalsContact C-N 3.27Å; S72-S74 PolarHBondContact O-N 3.03Å; S72-S74 PolarHBondContact OG-N 3.23Å; S72-S74 PolarHBondContact OG-OG 3.28Å; S74-R77 PolarHBondContact O-N 2.68Å
75E96.5Very high96.7Very high120 Ų12071.6 Ų71.656%0.56136%0.364SS*.Hα-helixtrans-66.2-42.6175.9-67.8177.1-174.600111.5S72 R77 T78 S79S72-E75 PolarHBondContact O-N 2.85Å; S72-E75 PolarHBondContact OG-N 3.26Å; E75-R77 VanDerWaalsContact C-N 3.33Å; E75-R77 PolarHBondContact O-N 2.55Å; E75-T78 PolarHBondContact O-N 3.2Å; E75-T78 PolarHBondContact O-OG1 2.99Å; E75-S79 VanDerWaalsContact O-CB 3.3Å; E75-S79 WeakPolarHBondContact O-CB 3.49Å; E75-S79 PolarHBondContact O-N 3.11Å; E75-S79 PolarHBondContact O-OG 3.17Å
76L97.8Very high96.9Very high4 Ų477.5 Ų77.52%0.02139%0.385CS..Hα-helixtrans-67.9-33.5178.8-73.2174.4000112.5K71 S72 L73 T78 Q80 L83 L84 Y87 W409K71-L76 HydrophobicContact CB-CD1 4.08Å; S72-L76 WeakPolarHBondContact O-CB 3.41Å; S72-L76 WeakPolarHBondContact O-CG 3.48Å; S72-L76 PolarHBondContact O-N 3.28Å; L73-L76 PolarHBondContact O-N 3.12Å; L76-T78 PolarHBondContact O-N 2.72Å; L76-Q80 HydrophobicContact CD2-CB 3.91Å; L76-Q80 HydrophobicContact CD2-CG 4.4Å; L76-Q80 CarbonylContact O-C 3.55Å; L76-Q80 WeakPolarHBondContact O-CA 3.44Å; L76-Q80 PolarHBondContact O-N 3.28Å; L76-L83 HydrophobicContact CD2-CD2 4.16Å; L76-L84 HydrophobicContact CB-CB 4.47Å; L76-L84 HydrophobicContact CB-CD1 4.4Å; L76-Y87 HydrophobicContact CD1-CD2 4.41Å; L76-Y87 HydrophobicContact CD1-CE2 3.9Å; L76-W409 HydrophobicContact CD1-CH2 3.63Å; L76-W409 HydrophobicContact CD1-CZ3 3.61Å
77R96.4Very high97.1Very high104 Ų10474.4 Ų74.439%0.39237%0.368SS..Hα-helixtrans-57.9-35.8175.6-171.1-176.8-61.7161-1.4112L73 S74 E75 L84 E415L73-R77 WeakPolarHBondContact O-CB 3.32Å; L73-R77 PolarHBondContact O-N 3.23Å; S74-R77 PolarHBondContact O-N 2.68Å; E75-R77 VanDerWaalsContact C-N 3.33Å; E75-R77 PolarHBondContact O-N 2.55Å; R77-L84 HydrophobicContact CB-CD2 4.06Å; R77-E415 IonicContact CZ-OE1 3.5Å; R77-E415 IonicContact CZ-OE2 3.11Å; R77-E415 IonicContact NH1-OE1 3.26Å; R77-E415 PolarHBondContact NH1-OE1 3.11Å; R77-E415 IonicContact NH1-OE2 2.72Å; R77-E415 IonicContact NH2-OE1 3.34Å; R77-E415 PolarHBondContact NH2-OE1 3.08Å; R77-E415 IonicContact NH2-OE2 3.41Å; R77-E415 PolarHBondContact NH2-OE2 3.48Å
78T97.3Very high97.5Very high115 Ų11572.3 Ų72.371%0.70635%0.347SS*.Hα-helixtrans-92.9-47.1-179.356.90000112.5E75 L76E75-T78 PolarHBondContact O-N 3.2Å; E75-T78 PolarHBondContact O-OG1 2.99Å; L76-T78 PolarHBondContact O-N 2.72Å
79S97.8Very high97.7Very high75 Ų7566.8 Ų66.852%0.52433%0.329SS..Hα-helixtrans-83.4-33.9-172.364.80000114.2E75E75-S79 VanDerWaalsContact O-CB 3.3Å; E75-S79 WeakPolarHBondContact O-CB 3.49Å; E75-S79 PolarHBondContact O-N 3.11Å; E75-S79 PolarHBondContact O-OG 3.17Å
80Q97.8Very high97.9Very high89 Ų8967.5 Ų67.542%0.41633%0.332SS..  trans-143.757.1-170.7-64179.676.200112.6L76 R82 L83 L84L76-Q80 HydrophobicContact CD2-CB 3.91Å; L76-Q80 HydrophobicContact CD2-CG 4.4Å; L76-Q80 CarbonylContact O-C 3.55Å; L76-Q80 WeakPolarHBondContact O-CA 3.44Å; L76-Q80 PolarHBondContact O-N 3.28Å; Q80-R82 VanDerWaalsContact C-N 3.3Å; Q80-R82 PolarHBondContact O-N 3.41Å; Q80-L83 HydrophobicContact CB-CB 3.96Å; Q80-L83 HydrophobicContact CB-CD2 4.41Å; Q80-L83 WeakPolarHBondContact O-CB 3.18Å; Q80-L83 PolarHBondContact O-N 3.32Å; Q80-L84 PolarHBondContact O-N 3.46Å; Q80-L84 VanDerWaalsContact O-N 3.12Å
81P97.9Very high97.9Very high74 Ų7466.6 Ų66.648%0.48133%0.326SS..Hα-helixtrans-59.5-34.9-173.822-34.1000114L83 L84 E85P81-L83 VanDerWaalsContact C-N 3.34Å; P81-L83 PolarHBondContact O-N 3.12Å; P81-L84 PolarHBondContact O-N 3.3Å; P81-E85 PolarHBondContact O-N 3.31Å
82R98.5Very high98Very high221 Ų22163.6 Ų63.683%0.83431%0.313SS*.Hα-helixtrans-66.8-34175.9-67.7-176.3-177.1167.61.6113Q80 R86Q80-R82 VanDerWaalsContact C-N 3.3Å; Q80-R82 PolarHBondContact O-N 3.41Å; R82-R86 PolarHBondContact O-N 2.84Å; R82-R86 VanDerWaalsContact O-N 3.1Å
83L98.4Very high98Very high45 Ų4569.8 Ų69.824%0.23634%0.336CS..Hα-helixtrans-69.4-40.6174.9179.959.8000110.2L76 Q80 P81 R86 Y87L76-L83 HydrophobicContact CD2-CD2 4.16Å; Q80-L83 HydrophobicContact CB-CB 3.96Å; Q80-L83 HydrophobicContact CB-CD2 4.41Å; Q80-L83 WeakPolarHBondContact O-CB 3.18Å; Q80-L83 PolarHBondContact O-N 3.32Å; P81-L83 VanDerWaalsContact C-N 3.34Å; P81-L83 PolarHBondContact O-N 3.12Å; L83-R86 WeakPolarHBondContact O-CB 3.3Å; L83-R86 PolarHBondContact O-N 3Å; L83-Y87 HydrophobicContact CD1-CD1 4.49Å; L83-Y87 HydrophobicContact CD1-CE1 3.79Å; L83-Y87 HydrophobicContact CD1-CE2 4.37Å; L83-Y87 HydrophobicContact CD2-CE2 4.3Å; L83-Y87 HydrophobicContact CG-CE1 4.24Å; L83-Y87 HydrophobicContact CG-CE2 3.91Å; L83-Y87 PolarHBondContact O-N 3.37Å
84L98.2Very high98.1Very high14 Ų1470 Ų707%0.07334%0.338CS..Hα-helixtrans-63-42.6176.6-172.463.4000112L73 L76 R77 Q80 P81 R86 Y87 F88 H260 W409L73-L84 HydrophobicContact CD1-CD1 3.54Å; L73-L84 HydrophobicContact CD1-CD2 3.74Å; L73-L84 HydrophobicContact CD1-CG 4.24Å; L76-L84 HydrophobicContact CB-CB 4.47Å; L76-L84 HydrophobicContact CB-CD1 4.4Å; R77-L84 HydrophobicContact CB-CD2 4.06Å; Q80-L84 PolarHBondContact O-N 3.46Å; Q80-L84 VanDerWaalsContact O-N 3.12Å; P81-L84 PolarHBondContact O-N 3.3Å; L84-R86 VanDerWaalsContact C-N 3.28Å; L84-R86 PolarHBondContact O-N 2.8Å; L84-Y87 PolarHBondContact O-N 3.21Å; L84-F88 PolarHBondContact O-N 3.09Å; L84-H260 HydrophobicContact CD1-CB 4.27Å; L84-H260 WeakPolarHBondContact CD1-CD2 3.49Å; L84-W409 HydrophobicContact CD1-CH2 4.01Å; L84-W409 HydrophobicContact CD1-CZ2 4.31Å
85E98.3Very high98.2Very high131 Ų13167.5 Ų67.561%0.61232%0.321SS*.Hα-helixtrans-63.5-33.8174.3-174168.9-171.100112.7P81 S89P81-E85 PolarHBondContact O-N 3.31Å; E85-S89 WeakPolarHBondContact O-CB 3.29Å; E85-S89 PolarHBondContact O-N 2.74Å; E85-S89 PolarHBondContact O-OG 2.71Å
86R98.7Very high98.3Very high135 Ų13563.1 Ų63.151%0.50930%0.301SS..Hα-helixtrans-64-46171.6175.7177.6174130.8-5.8111.4R82 L83 L84 S89 I90 E267R82-R86 PolarHBondContact O-N 2.84Å; R82-R86 VanDerWaalsContact O-N 3.1Å; L83-R86 WeakPolarHBondContact O-CB 3.3Å; L83-R86 PolarHBondContact O-N 3Å; L84-R86 VanDerWaalsContact C-N 3.28Å; L84-R86 PolarHBondContact O-N 2.8Å; R86-S89 PolarHBondContact O-N 2.78Å; R86-I90 HydrophobicContact CG-CD1 3.87Å; R86-I90 WeakPolarHBondContact O-CG1 3.44Å; R86-I90 PolarHBondContact O-N 3.16Å; R86-E267 IonicContact CZ-OE1 3.6Å; R86-E267 IonicContact CZ-OE2 3.79Å; R86-E267 IonicContact NE-OE1 2.76Å; R86-E267 IonicContact NE-OE2 3.61Å; R86-E267 PolarHBondContact NE-OE2 3.1Å; R86-E267 IonicContact NH2-OE1 3.19Å; R86-E267 PolarHBondContact NH2-OE1 3.21Å; R86-E267 IonicContact NH2-OE2 3.63Å; R86-E267 PolarHBondContact NH2-OE2 2.87Å; R86-E267 VanDerWaalsContact NH2-OE2 3.16Å
87Y98.8Very high98.3Very high10 Ų1067.2 Ų67.24%0.03932%0.32CS..Hα-helixtrans-58.3-50.5175.1-64.3-26.5000111.1L76 L83 L84 S89 I90 G91 G263 Y264 E267 W409L76-Y87 HydrophobicContact CD1-CD2 4.41Å; L76-Y87 HydrophobicContact CD1-CE2 3.9Å; L83-Y87 HydrophobicContact CD1-CD1 4.49Å; L83-Y87 HydrophobicContact CD1-CE1 3.79Å; L83-Y87 HydrophobicContact CD1-CE2 4.37Å; L83-Y87 HydrophobicContact CD2-CE2 4.3Å; L83-Y87 HydrophobicContact CG-CE1 4.24Å; L83-Y87 HydrophobicContact CG-CE2 3.91Å; L83-Y87 PolarHBondContact O-N 3.37Å; L84-Y87 PolarHBondContact O-N 3.21Å; Y87-S89 VanDerWaalsContact C-N 3.27Å; Y87-S89 PolarHBondContact O-N 3.47Å; Y87-I90 PolarHBondContact O-N 3.47Å; Y87-I90 VanDerWaalsContact O-N 3.08Å; Y87-G91 PolarHBondContact O-N 3.24Å; Y87-G263 VanDerWaalsContact O-CA 3.24Å; Y87-G263 WeakPolarHBondContact O-CA 3.32Å; Y87-Y264 HydrophobicContact CE1-CD2 4.47Å; Y87-Y264 AromaticContact CE2-CD2 3.92Å; Y87-Y264 HydrophobicContact CE2-CD2 3.92Å; Y87-Y264 AromaticContact CZ-CD2 3.85Å; Y87-E267 HydrophobicContact CD1-CB 4.29Å; Y87-E267 HydrophobicContact CE1-CB 3.97Å; Y87-E267 HydrophobicContact CE1-CG 4.02Å; Y87-W409 HydrophobicContact CD2-CH2 4.24Å; Y87-W409 HydrophobicContact CD2-CZ3 4.4Å; Y87-W409 HydrophobicContact CE2-CZ3 4.36Å
88F98.7Very high98.4Very high48 Ų4865.4 Ų65.421%0.21132%0.318CS..Hα-helixtrans-52.9-45.8175.7-177.9-91.1000112.5L84 I90 G91 L92 M146 L259 H260L84-F88 PolarHBondContact O-N 3.09Å; F88-I90 PolarHBondContact O-N 3.47Å; F88-G91 PolarHBondContact O-N 2.91Å; F88-L92 HydrophobicContact CE1-CD2 4.18Å; F88-L92 WeakPolarHBondContact O-CB 3.31Å; F88-L92 PolarHBondContact O-N 3.26Å; F88-M146 HydrophobicContact CE2-CE 4.1Å; F88-M146 HydrophobicContact CZ-CE 3.47Å; F88-M146 VanDerWaalsContact CZ-CE 3.47Å; F88-L259 HydrophobicContact CD2-CB 3.89Å; F88-L259 HydrophobicContact CD2-CD1 4.12Å; F88-L259 HydrophobicContact CE2-CB 4.11Å; F88-L259 HydrophobicContact CE2-CD1 3.49Å; F88-L259 VanDerWaalsContact CE2-CD1 3.49Å; F88-L259 HydrophobicContact CE2-CG 4.44Å; F88-L259 HydrophobicContact CZ-CD1 3.83Å; F88-H260 AromaticContact CD2-CE1 3.76Å; F88-H260 AromaticContact CD2-NE2 3.71Å
89S98.7Very high98.5Very high45 Ų4562.5 Ų62.532%0.31530%0.296SS..Hα-helixtrans-64.2-37179.3-62.70000113E85 R86 Y87 R93E85-S89 WeakPolarHBondContact O-CB 3.29Å; E85-S89 PolarHBondContact O-N 2.74Å; E85-S89 PolarHBondContact O-OG 2.71Å; R86-S89 PolarHBondContact O-N 2.78Å; Y87-S89 VanDerWaalsContact C-N 3.27Å; Y87-S89 PolarHBondContact O-N 3.47Å; S89-R93 VanDerWaalsContact O-CB 3.28Å; S89-R93 WeakPolarHBondContact O-CB 3.43Å; S89-R93 PolarHBondContact O-N 3.45Å
90I98.9Very high98.5Very high38 Ų3859 Ų5920%0.19527%0.271CS..Hα-helixtrans-68.7-46.8176.3-69.5166000110.4R86 Y87 F88 R93 A94 V266 E267R86-I90 HydrophobicContact CG-CD1 3.87Å; R86-I90 WeakPolarHBondContact O-CG1 3.44Å; R86-I90 PolarHBondContact O-N 3.16Å; Y87-I90 PolarHBondContact O-N 3.47Å; Y87-I90 VanDerWaalsContact O-N 3.08Å; F88-I90 PolarHBondContact O-N 3.47Å; I90-R93 PolarHBondContact O-N 2.61Å; I90-A94 PolarHBondContact O-N 2.88Å; I90-V266 HydrophobicContact CG2-CB 3.75Å; I90-V266 HydrophobicContact CG2-CG1 3.61Å; I90-E267 HydrophobicContact CD1-CB 4.25Å; I90-E267 WeakPolarHBondContact CD1-OE2 3.44Å
91G98.8Very high98.6Very high0 Ų054.8 Ų54.80%025%0.251CS..Hα-helixtrans-59.3-48.5176.700000112Y87 F88 R93 A94 V95Y87-G91 PolarHBondContact O-N 3.24Å; F88-G91 PolarHBondContact O-N 2.91Å; G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 3.04Å; G91-A94 PolarHBondContact O-N 2.93Å; G91-V95 WeakPolarHBondContact O-CG2 3.41Å; G91-V95 PolarHBondContact O-N 3.04Å
92L98.7Very high98.6Very high7 Ų751.2 Ų51.24%0.03723%0.228CC..Hα-helixtrans-64.2-34.8179.2-166.273.3000112.2F88 N96 V143 M146 C147 K150 F151 L259F88-L92 HydrophobicContact CE1-CD2 4.18Å; F88-L92 WeakPolarHBondContact O-CB 3.31Å; F88-L92 PolarHBondContact O-N 3.26Å; L92-N96 WeakPolarHBondContact O-CB 3.47Å; L92-N96 PolarHBondContact O-N 3.22Å; L92-V143 HydrophobicContact CD1-CG1 4.36Å; L92-M146 HydrophobicContact CD1-CB 4.07Å; L92-C147 VanDerWaalsContact CD1-SG 3.51Å; L92-C147 PolarHBondContact O-SG 3.11Å; L92-K150 HydrophobicContact CD2-CB 4.09Å; L92-K150 HydrophobicContact CD2-CG 4.15Å; L92-F151 HydrophobicContact CB-CE2 4.48Å; L92-F151 HydrophobicContact CD2-CE2 3.96Å; L92-F151 HydrophobicContact CD2-CZ 4.5Å; L92-F151 HydrophobicContact CG-CE2 3.92Å; L92-L259 HydrophobicContact CB-CD1 4.43Å; L92-L259 HydrophobicContact CD1-CD1 3.73Å; L92-L259 HydrophobicContact CD1-CD2 4.34Å
93R98.8Very high98.7Very high136 Ų13640.7 Ų40.751%0.51319%0.189SC..Hα-helixtrans-67.4-44.3174-177.7173.6-62.3168.22.7111.9S89 I90 G91 V95 N96 E97 F151S89-R93 VanDerWaalsContact O-CB 3.28Å; S89-R93 WeakPolarHBondContact O-CB 3.43Å; S89-R93 PolarHBondContact O-N 3.45Å; I90-R93 PolarHBondContact O-N 2.61Å; G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 3.04Å; R93-V95 VanDerWaalsContact C-N 3.27Å; R93-V95 PolarHBondContact O-N 2.84Å; R93-N96 WeakPolarHBondContact O-CB 3.08Å; R93-N96 PolarHBondContact O-N 2.97Å; R93-N96 VanDerWaalsContact O-N 3.12Å; R93-E97 HydrophobicContact CG-CG 4.41Å; R93-E97 VanDerWaalsContact CG-OE1 3.31Å; R93-E97 WeakPolarHBondContact CG-OE1 3.27Å; R93-E97 WeakPolarHBondContact O-CG 3.19Å; R93-E97 PolarHBondContact O-N 2.77Å; R93-F151 HydrophobicContact CB-CZ 4.31Å
94A98.8Very high98.7Very high7 Ų738.6 Ų38.66%0.05818%0.177CC..Hα-helixtrans-60-39.1177.200000111.7I90 G91 E97 K99 V100 Y243I90-A94 PolarHBondContact O-N 2.88Å; G91-A94 PolarHBondContact O-N 2.93Å; A94-E97 PolarHBondContact O-N 3.09Å; A94-K99 WeakPolarHBondContact O-CB 3.5Å; A94-K99 PolarHBondContact O-N 3.08Å; A94-V100 HydrophobicContact CB-CG2 3.76Å; A94-Y243 HydrophobicContact CB-CD2 4.05Å; A94-Y243 HydrophobicContact CB-CE2 4.01Å
95V98.8Very high98.7Very high0 Ų038.4 Ų38.40%018%0.177CC..Hα-helixtrans-63.7-48.6171.6175.50000111.3G91 R93 E97 N98 V100 V143 P155 I157 P257 L259G91-V95 WeakPolarHBondContact O-CG2 3.41Å; G91-V95 PolarHBondContact O-N 3.04Å; R93-V95 VanDerWaalsContact C-N 3.27Å; R93-V95 PolarHBondContact O-N 2.84Å; V95-E97 PolarHBondContact O-N 2.73Å; V95-N98 WeakPolarHBondContact O-CA 3.17Å; V95-N98 PolarHBondContact O-N 2.89Å; V95-V100 HydrophobicContact CG2-CB 3.85Å; V95-V100 HydrophobicContact CG2-CG1 4.08Å; V95-V100 HydrophobicContact CG2-CG2 3.86Å; V95-V143 HydrophobicContact CG1-CG1 3.99Å; V95-V143 HydrophobicContact CG2-CG1 4.35Å; V95-P155 HydrophobicContact CG1-CB 4.48Å; V95-P155 HydrophobicContact CG1-CG 3.89Å; V95-P155 WeakPolarHBondContact O-CB 3.46Å; V95-I157 HydrophobicContact CG1-CD1 3.81Å; V95-I157 HydrophobicContact CG1-CG1 3.7Å; V95-P257 HydrophobicContact CG2-CG 3.91Å; V95-L259 HydrophobicContact CG2-CD2 3.9Å
96N98.6Very high98.6Very high28 Ų2832.3 Ų32.315%0.1515%0.148CC..Hα-helixtrans-59.6-29.2178.8-179.676.5000113.5L92 R93 N98 C147 F151L92-N96 WeakPolarHBondContact O-CB 3.47Å; L92-N96 PolarHBondContact O-N 3.22Å; R93-N96 WeakPolarHBondContact O-CB 3.08Å; R93-N96 PolarHBondContact O-N 2.97Å; R93-N96 VanDerWaalsContact O-N 3.12Å; N96-N98 PolarHBondContact O-N 2.84Å; N96-C147 HydrophobicContact CB-CB 4.21Å; N96-F151 HydrophobicContact CB-CD2 3.52Å; N96-F151 HydrophobicContact CB-CE2 3.81Å; N96-F151 HydrophobicContact CB-CG 4.3Å; N96-F151 WeakPolarHBondContact OD1-CB 3.23Å
97E98.3Very high98.3Very high90 Ų9026.3 Ų26.342%0.42113%0.128SC..THydrogen-bonded Turntrans-82.95.7175.1-69.7175-16900113.4R93 A94 V95 K99R93-E97 HydrophobicContact CG-CG 4.41Å; R93-E97 VanDerWaalsContact CG-OE1 3.31Å; R93-E97 WeakPolarHBondContact CG-OE1 3.27Å; R93-E97 WeakPolarHBondContact O-CG 3.19Å; R93-E97 PolarHBondContact O-N 2.77Å; A94-E97 PolarHBondContact O-N 3.09Å; V95-E97 PolarHBondContact O-N 2.73Å; E97-K99 HydrophobicContact CB-CD 4.11Å; E97-K99 HydrophobicContact CB-CG 4.13Å; E97-K99 PolarHBondContact O-N 3.07Å; E97-K99 VanDerWaalsContact OE2-CE 3.31Å; E97-K99 WeakPolarHBondContact OE2-CE 3.19Å; E97-K99 IonicContact OE2-NZ 3.22Å; E97-K99 PolarHBondContact OE2-NZ 2.77Å
98N98.4Very high97.7Very high65 Ų6528 Ų2835%0.34815%0.149SC..THydrogen-bonded Turntrans57.529.3-175.6-53.4-62.5000113.9V95 N96 P155 S156V95-N98 WeakPolarHBondContact O-CA 3.17Å; V95-N98 PolarHBondContact O-N 2.89Å; N96-N98 PolarHBondContact O-N 2.84Å; N98-P155 WeakPolarHBondContact OD1-CA 3.42Å; N98-P155 VanDerWaalsContact OD1-CB 3.31Å; N98-P155 WeakPolarHBondContact OD1-CB 3.37Å; N98-S156 PolarHBondContact OD1-N 3.29Å; N98-S156 PolarHBondContact OD1-O 3.09Å
99K98.8Very high97Very high55 Ų5529.8 Ų29.824%0.23916%0.158CC..  trans-90.8-10.6-179.9-69.9176.3175.3169.60113.9A94 E97 E242 Y243A94-K99 WeakPolarHBondContact O-CB 3.5Å; A94-K99 PolarHBondContact O-N 3.08Å; E97-K99 HydrophobicContact CB-CD 4.11Å; E97-K99 HydrophobicContact CB-CG 4.13Å; E97-K99 PolarHBondContact O-N 3.07Å; E97-K99 VanDerWaalsContact OE2-CE 3.31Å; E97-K99 WeakPolarHBondContact OE2-CE 3.19Å; E97-K99 IonicContact OE2-NZ 3.22Å; E97-K99 PolarHBondContact OE2-NZ 2.77Å; K99-E242 HydrophobicContact CB-CB 4.25Å; K99-E242 HydrophobicContact CB-CG 4.46Å; K99-E242 HydrophobicContact CD-CG 4.39Å; K99-E242 WeakPolarHBondContact CE-OE1 3.41Å; K99-E242 HydrophobicContact CG-CG 4.26Å; K99-E242 IonicContact NZ-OE1 2.83Å; K99-E242 PolarHBondContact O-N 2.89Å; K99-Y243 HydrophobicContact CB-CD2 4.19Å; K99-Y243 HydrophobicContact CB-CE2 4.28Å; K99-Y243 PolarHBondContact O-N 2.78Å
100V98.9Very high96.3Very high1 Ų127.7 Ų27.71%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-107.1128.1-173.8175.70000110.3A94 V95 Y243 P257 I262A94-V100 HydrophobicContact CB-CG2 3.76Å; V95-V100 HydrophobicContact CG2-CB 3.85Å; V95-V100 HydrophobicContact CG2-CG1 4.08Å; V95-V100 HydrophobicContact CG2-CG2 3.86Å; V100-Y243 WeakPolarHBondContact CA-O 3.46Å; V100-Y243 HydrophobicContact CG2-CD2 4.15Å; V100-P257 HydrophobicContact CG1-CB 4.01Å; V100-P257 HydrophobicContact CG1-CG 4.3Å; V100-I262 HydrophobicContact CB-CD1 4.48Å; V100-I262 HydrophobicContact CG1-CD1 3.5Å; V100-I262 HydrophobicContact CG2-CD1 4.09Å; V100-I262 HydrophobicContact CG2-CG2 4.2Å
101A98.9Very high95.6Very high0 Ų030.5 Ų30.50%016%0.162CC..EExtended strand (participates in β ladder)trans-115.6157.9164.100000110.7T158 Y160 I241 Y243 V244 Q245A101-T158 WeakPolarHBondContact CA-O 3.33Å; A101-T158 WeakPolarHBondContact CB-O 3.22Å; A101-Y160 HydrophobicContact CB-CD2 3.84Å; A101-Y160 HydrophobicContact CB-CE2 3.58Å; A101-I241 HydrophobicContact CB-CD1 3.86Å; A101-I241 HydrophobicContact CB-CG1 4.15Å; A101-I241 HydrophobicContact CB-CG2 3.79Å; A101-Y243 PolarHBondContact N-O 3.22Å; A101-V244 WeakPolarHBondContact O-CA 3.25Å; A101-Q245 PolarHBondContact O-N 3Å
102V98.9Very high94.8Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-112.2141.6167.2-61.60000109.6L140 I157 T158 W159 Y160 Q245 Y247 V256 P257V102-L140 HydrophobicContact CB-CD2 4.5Å; V102-L140 HydrophobicContact CG1-CD2 3.97Å; V102-L140 HydrophobicContact CG2-CD1 4.01Å; V102-L140 HydrophobicContact CG2-CD2 3.73Å; V102-I157 HydrophobicContact CG1-CG2 4.31Å; V102-I157 HydrophobicContact CG2-CG2 4.3Å; V102-T158 PolarHBondContact N-O 2.77Å; V102-W159 HydrophobicContact CG2-CB 4.14Å; V102-W159 HydrophobicContact CG2-CG 3.88Å; V102-Y160 PolarHBondContact O-N 3.1Å; V102-Q245 CarbonylContact C-O 3.43Å; V102-Q245 WeakPolarHBondContact CA-O 3.36Å; V102-Y247 HydrophobicContact CB-CE1 4.07Å; V102-Y247 HydrophobicContact CG2-CE1 4.45Å; V102-V256 HydrophobicContact CG1-CB 4.46Å; V102-P257 HydrophobicContact CG1-CB 4.03Å
103L98.9Very high94.2Very high0 Ų039.2 Ų39.20%020%0.195CC..EExtended strand (participates in β ladder)trans-123.2113.6-179.8-166.8152.3000110.3L105 Y160 F191 L223 L227 M236 V244 Q245 I246 Y247L103-L105 HydrophobicContact CD2-CD2 3.81Å; L103-L105 HydrophobicContact CD2-CG 4.46Å; L103-Y160 CarbonylContact C-O 3.43Å; L103-Y160 VanDerWaalsContact CA-O 3.32Å; L103-Y160 WeakPolarHBondContact CA-O 3.49Å; L103-F191 HydrophobicContact CD1-CZ 4.16Å; L103-F191 HydrophobicContact CD2-CZ 4.48Å; L103-F191 HydrophobicContact CG-CZ 4.42Å; L103-L223 HydrophobicContact CD1-CD1 3.69Å; L103-L223 HydrophobicContact CD2-CD1 3.51Å; L103-L223 HydrophobicContact CD2-CD2 4.11Å; L103-L223 HydrophobicContact CD2-CG 4.47Å; L103-L223 HydrophobicContact CG-CD1 4.24Å; L103-L227 HydrophobicContact CD1-CD2 3.75Å; L103-M236 HydrophobicContact CD1-CE 4.18Å; L103-V244 HydrophobicContact CB-CG1 3.74Å; L103-V244 HydrophobicContact CD1-CG1 4.41Å; L103-Q245 PolarHBondContact N-O 2.92Å; L103-I246 HydrophobicContact CB-CG1 4.09Å; L103-I246 HydrophobicContact CD2-CG1 4.44Å; L103-I246 HydrophobicContact CD2-CG2 4.15Å; L103-I246 CarbonylContact O-C 3.55Å; L103-I246 WeakPolarHBondContact O-CA 3.16Å; L103-Y247 VanDerWaalsContact O-CD1 3.28Å; L103-Y247 WeakPolarHBondContact O-CD1 3.31Å; L103-Y247 PolarHBondContact O-N 3.29Å
104L98.8Very high93.7Very high0 Ų036.1 Ų36.10%021%0.205CC..EExtended strand (participates in β ladder)trans-97124.3-177.6176.252.9000111.7A106 Y133 W159 Y160 I161 M162 Y247 V249L104-A106 HydrophobicContact CD2-CB 4.48Å; L104-A106 HydrophobicContact CG-CB 4.11Å; L104-A106 PolarHBondContact O-N 3.46Å; L104-Y133 HydrophobicContact CD2-CD1 3.94Å; L104-Y133 HydrophobicContact CD2-CE1 3.64Å; L104-W159 HydrophobicContact CD2-CZ2 3.71Å; L104-Y160 PolarHBondContact N-O 3.03Å; L104-I161 HydrophobicContact CB-CG1 4.39Å; L104-I161 HydrophobicContact CD2-CG2 4.42Å; L104-M162 PolarHBondContact O-N 3.42Å; L104-Y247 HydrophobicContact CB-CE1 3.89Å; L104-Y247 HydrophobicContact CD1-CD2 3.95Å; L104-Y247 HydrophobicContact CD1-CE1 4.28Å; L104-Y247 HydrophobicContact CD1-CE2 3.47Å; L104-Y247 VanDerWaalsContact CD1-CE2 3.47Å; L104-Y247 HydrophobicContact CG-CE2 4.41Å; L104-V249 HydrophobicContact CD1-CB 3.58Å; L104-V249 HydrophobicContact CD1-CG2 4.13Å; L104-V249 HydrophobicContact CD2-CG2 4.36Å; L104-V249 HydrophobicContact CG-CB 4.43Å
105L98.3Very high93.3Very high11 Ų1137 Ų376%0.05821%0.209CC..EExtended strand (participates in β ladder)trans-85.494.8171.8-54.2171.1000109.3L103 M162 N220 L223 I246 Y247 A396L103-L105 HydrophobicContact CD2-CD2 3.81Å; L103-L105 HydrophobicContact CD2-CG 4.46Å; L105-M162 HydrophobicContact CD2-CE 3.47Å; L105-M162 VanDerWaalsContact CD2-CE 3.47Å; L105-M162 HydrophobicContact CD2-SD 4.24Å; L105-N220 HydrophobicContact CD1-CB 4.08Å; L105-L223 HydrophobicContact CD2-CB 4.46Å; L105-L223 HydrophobicContact CD2-CD1 4.42Å; L105-L223 HydrophobicContact CD2-CD2 4.2Å; L105-I246 HydrophobicContact CD1-CG2 3.79Å; L105-I246 HydrophobicContact CD2-CG2 4.15Å; L105-I246 HydrophobicContact CG-CG2 3.97Å; L105-Y247 WeakPolarHBondContact CB-O 3.36Å; L105-Y247 WeakPolarHBondContact CG-O 3.14Å; L105-Y247 PolarHBondContact N-O 3.12Å; L105-A396 HydrophobicContact CD1-CB 4.07Å
106A97Very high92.9Very high2 Ų241.7 Ų41.72%0.01724%0.242CC..  trans-11924.8-176.500000113.6L104 G108 Y133 I161 M162 T167L104-A106 HydrophobicContact CD2-CB 4.48Å; L104-A106 HydrophobicContact CG-CB 4.11Å; L104-A106 PolarHBondContact O-N 3.46Å; A106-G108 VanDerWaalsContact C-N 3.27Å; A106-G108 PolarHBondContact O-N 2.76Å; A106-Y133 HydrophobicContact CB-CE1 4.39Å; A106-Y133 WeakPolarHBondContact CB-OH 3.42Å; A106-I161 HydrophobicContact CB-CG2 3.99Å; A106-M162 CarbonylContact C-O 3.58Å; A106-M162 WeakPolarHBondContact CA-O 3.47Å; A106-M162 WeakPolarHBondContact CB-O 3.24Å; A106-M162 PolarHBondContact N-O 3.14Å; A106-T167 PolarHBondContact O-OG1 3.07Å
107G91.3Very high92.7Very high9 Ų944.2 Ų44.29%0.09325%0.251CS..  trans-71.6-16.1178.200000115M162 S164 T167G107-M162 PolarHBondContact N-O 2.94Å; G107-S164 WeakPolarHBondContact O-CB 3.18Å; G107-S164 PolarHBondContact O-OG 3.31Å; G107-T167 WeakPolarHBondContact O-CG2 3.34Å
108G86.4Confident92.5Very high45 Ų4540 Ų4046%0.46423%0.231SC..  trans-90.7142.4-174.400000114.9A106 K119A106-G108 VanDerWaalsContact C-N 3.27Å; A106-G108 PolarHBondContact O-N 2.76Å; G108-K119 PolarHBondContact O-N 3.09Å
109Q83.7Confident92.4Very high87 Ų8738.4 Ų38.441%0.40722%0.221SC..BIsolated β-bridgetrans-81.4155.3170.4-65.7177-60.100111.8T111 S116 H166 T167Q109-T111 PolarHBondContact O-N 3.48Å; Q109-T111 VanDerWaalsContact O-N 3.14Å; Q109-S116 PolarHBondContact NE2-O 3.47Å; Q109-H166 HydrophobicContact CG-CB 4.39Å; Q109-T167 HydrophobicContact CG-CG2 4.05Å
110G84.2Confident92.3Very high1 Ų135.8 Ų35.81%0.0121%0.209CC..SBendtrans-78.323176.500000114.9R112 L113 G114 V115 Y117G110-R112 VanDerWaalsContact C-N 3.28Å; G110-R112 PolarHBondContact O-N 3.15Å; G110-R112 VanDerWaalsContact O-N 3.16Å; G110-L113 VanDerWaalsContact O-CA 3.31Å; G110-L113 WeakPolarHBondContact O-CA 3.49Å; G110-L113 VanDerWaalsContact O-CB 3.28Å; G110-L113 WeakPolarHBondContact O-CB 3.05Å; G110-L113 PolarHBondContact O-N 3.4Å; G110-G114 PolarHBondContact O-N 3.23Å; G110-V115 CarbonylContact C-O 3.54Å; G110-V115 WeakPolarHBondContact O-CG2 3.3Å; G110-V115 PolarHBondContact O-N 2.95Å; G110-V115 VanDerWaalsContact O-O 3.09Å; G110-Y117 PolarHBondContact N-O 2.93Å
111T83.8Confident92.2Very high96 Ų9637 Ų3759%0.58922%0.216SC*.G310 helixtrans-57.2-38.2-169.8-44.30000113.3Q109 L113 G114 V115Q109-T111 PolarHBondContact O-N 3.48Å; Q109-T111 VanDerWaalsContact O-N 3.14Å; T111-L113 PolarHBondContact O-N 3.48Å; T111-G114 PolarHBondContact O-N 3.03Å; T111-G114 VanDerWaalsContact O-N 3.12Å; T111-V115 WeakPolarHBondContact CA-O 3.35Å; T111-V115 PolarHBondContact N-O 3.21Å; T111-V115 VanDerWaalsContact N-O 3.1Å
112R82.7Confident92Very high187 Ų18737.7 Ų37.771%0.70622%0.219SC*.G310 helixtrans-67.2-23.7174.7-70-172.2-179.6175.70.6113.5G110 K421 G423G110-R112 VanDerWaalsContact C-N 3.28Å; G110-R112 PolarHBondContact O-N 3.15Å; G110-R112 VanDerWaalsContact O-N 3.16Å; R112-K421 WeakPolarHBondContact CD-O 3.28Å; R112-G423 WeakPolarHBondContact O-CA 3.37Å; R112-G423 PolarHBondContact O-N 3.23Å; R112-G423 VanDerWaalsContact O-N 3.08Å
113L85.9Confident91.8Very high4 Ų443.2 Ų43.22%0.02124%0.242CC..G310 helixtrans-82.91.9174.4-55.9-177.9000112.8G110 T111 V115 K119 Y122 L420 N422G110-L113 VanDerWaalsContact O-CA 3.31Å; G110-L113 WeakPolarHBondContact O-CA 3.49Å; G110-L113 VanDerWaalsContact O-CB 3.28Å; G110-L113 WeakPolarHBondContact O-CB 3.05Å; G110-L113 PolarHBondContact O-N 3.4Å; T111-L113 PolarHBondContact O-N 3.48Å; L113-V115 HydrophobicContact CB-CG2 4.36Å; L113-K119 HydrophobicContact CD1-CD 4.2Å; L113-K119 HydrophobicContact CD1-CG 3.66Å; L113-Y122 HydrophobicContact CB-CD2 4.12Å; L113-Y122 HydrophobicContact CB-CE2 3.82Å; L113-Y122 HydrophobicContact CD1-CD1 4.02Å; L113-Y122 HydrophobicContact CD1-CD2 3.8Å; L113-Y122 HydrophobicContact CD1-CE1 4.35Å; L113-Y122 HydrophobicContact CD1-CE2 4.15Å; L113-Y122 HydrophobicContact CD1-CG 3.72Å; L113-L420 HydrophobicContact CD1-CB 4.43Å; L113-L420 HydrophobicContact CD2-CB 4.33Å; L113-N422 WeakPolarHBondContact CD2-O 3.45Å
114G87.8Confident91.6Very high70 Ų7043.2 Ų43.272%0.72224%0.242SC*.THydrogen-bonded Turntrans82.514.3-17700000114.2G110 T111G110-G114 PolarHBondContact O-N 3.23Å; T111-G114 PolarHBondContact O-N 3.03Å; T111-G114 VanDerWaalsContact O-N 3.12Å
115V90.4Very high91.3Very high25 Ų2545.1 Ų45.115%0.15225%0.253CS..  trans-124.1147.1-178.9-56.90000111.8G110 T111 L113 Y117 Y122G110-V115 CarbonylContact C-O 3.54Å; G110-V115 WeakPolarHBondContact O-CG2 3.3Å; G110-V115 PolarHBondContact O-N 2.95Å; G110-V115 VanDerWaalsContact O-O 3.09Å; T111-V115 WeakPolarHBondContact CA-O 3.35Å; T111-V115 PolarHBondContact N-O 3.21Å; T111-V115 VanDerWaalsContact N-O 3.1Å; L113-V115 HydrophobicContact CB-CG2 4.36Å; V115-Y117 HydrophobicContact CB-CD1 3.93Å; V115-Y117 HydrophobicContact CB-CD2 4.36Å; V115-Y117 HydrophobicContact CB-CE1 3.59Å; V115-Y117 HydrophobicContact CB-CE2 4.07Å; V115-Y117 HydrophobicContact CB-CG 4.31Å; V115-Y117 HydrophobicContact CG1-CE1 3.73Å; V115-Y117 HydrophobicContact CG1-CE2 4.4Å; V115-Y117 HydrophobicContact CG2-CD1 4.42Å; V115-Y117 HydrophobicContact CG2-CD2 3.96Å; V115-Y117 HydrophobicContact CG2-CE1 4.16Å; V115-Y117 HydrophobicContact CG2-CE2 3.67Å; V115-Y117 HydrophobicContact CG2-CG 4.33Å; V115-Y122 HydrophobicContact CG1-CD2 4.16Å; V115-Y122 HydrophobicContact CG1-CE2 4Å; V115-Y122 HydrophobicContact CG2-CD2 4.03Å; V115-Y122 HydrophobicContact CG2-CE2 4.49Å
116S90.3Very high91.1Very high99 Ų9944.8 Ų44.869%0.69225%0.251SS*.SBendtrans-87.8-18.8178.853.70000113.7Q109Q109-S116 PolarHBondContact NE2-O 3.47Å
117Y94.6Very high91Very high82 Ų8245.8 Ų45.832%0.32226%0.257SS..SBendtrans-80.7165.7-177.859-109.9000112.5G110 V115 L121 Y122G110-Y117 PolarHBondContact N-O 2.93Å; V115-Y117 HydrophobicContact CB-CD1 3.93Å; V115-Y117 HydrophobicContact CB-CD2 4.36Å; V115-Y117 HydrophobicContact CB-CE1 3.59Å; V115-Y117 HydrophobicContact CB-CE2 4.07Å; V115-Y117 HydrophobicContact CB-CG 4.31Å; V115-Y117 HydrophobicContact CG1-CE1 3.73Å; V115-Y117 HydrophobicContact CG1-CE2 4.4Å; V115-Y117 HydrophobicContact CG2-CD1 4.42Å; V115-Y117 HydrophobicContact CG2-CD2 3.96Å; V115-Y117 HydrophobicContact CG2-CE1 4.16Å; V115-Y117 HydrophobicContact CG2-CE2 3.67Å; V115-Y117 HydrophobicContact CG2-CG 4.33Å; Y117-L121 HydrophobicContact CD2-CB 3.74Å; Y117-L121 HydrophobicContact CE2-CB 3.86Å; Y117-Y122 HydrophobicContact CE2-CD2 4.42Å
118P95.7Very high91.2Very high1 Ų146.8 Ų46.81%0.00626%0.263CS..BIsolated β-bridgetrans-58.2138.8179.2-24.333000113.2G120 L121 T167 T170P118-G120 PolarHBondContact O-N 2.81Å; P118-L121 HydrophobicContact CB-CD1 3.66Å; P118-L121 HydrophobicContact CG-CD1 3.95Å; P118-L121 WeakPolarHBondContact O-CD1 3.11Å; P118-L121 PolarHBondContact O-N 3.32Å; P118-L121 VanDerWaalsContact O-N 3.1Å; P118-T167 HydrophobicContact CB-CG2 3.99Å; P118-T167 HydrophobicContact CG-CG2 3.94Å; P118-T170 HydrophobicContact CG-CG2 4.19Å
119K94.7Very high91.7Very high31 Ų3146 Ų4614%0.13526%0.255CS..G310 helixtrans-56.8-34-170.5-164-170-77.6-163.90113.5G108 L113 L121 Y122 L132 V249 D250 L420G108-K119 PolarHBondContact O-N 3.09Å; L113-K119 HydrophobicContact CD1-CD 4.2Å; L113-K119 HydrophobicContact CD1-CG 3.66Å; K119-L121 PolarHBondContact O-N 2.98Å; K119-Y122 WeakPolarHBondContact O-CB 3.18Å; K119-Y122 PolarHBondContact O-N 3.15Å; K119-L132 HydrophobicContact CG-CD1 4.47Å; K119-V249 HydrophobicContact CB-CG1 4.08Å; K119-V249 HydrophobicContact CD-CG1 4.24Å; K119-D250 HydrophobicContact CD-CB 3.38Å; K119-D250 VanDerWaalsContact NZ-CB 3.26Å; K119-D250 IonicContact NZ-OD2 3.56Å; K119-D250 PolarHBondContact NZ-OD2 3.39Å; K119-L420 PolarHBondContact NZ-O 2.94Å
120G96.7Very high92.3Very high0 Ų042.2 Ų42.20%024%0.237CC..G310 helixtrans-64.1-19.6-178.700000115.9P118 Y122 L132 Y133 V249P118-G120 PolarHBondContact O-N 2.81Å; G120-Y122 PolarHBondContact O-N 3.21Å; G120-L132 PolarHBondContact O-N 2.99Å; G120-Y133 VanDerWaalsContact O-CD2 3.28Å; G120-Y133 WeakPolarHBondContact O-CD2 3.5Å; G120-Y133 PolarHBondContact O-N 2.75Å; G120-V249 VanDerWaalsContact CA-CG2 3.45Å
121L96.7Very high93Very high26 Ų2642.1 Ų42.114%0.13624%0.236CC..G310 helixtrans-76.9-13.5173.3-7084.2000112.1Y117 P118 K119 K123 Y133 T170 F174Y117-L121 HydrophobicContact CD2-CB 3.74Å; Y117-L121 HydrophobicContact CE2-CB 3.86Å; P118-L121 HydrophobicContact CB-CD1 3.66Å; P118-L121 HydrophobicContact CG-CD1 3.95Å; P118-L121 WeakPolarHBondContact O-CD1 3.11Å; P118-L121 PolarHBondContact O-N 3.32Å; P118-L121 VanDerWaalsContact O-N 3.1Å; K119-L121 PolarHBondContact O-N 2.98Å; L121-K123 PolarHBondContact O-N 3.18Å; L121-Y133 HydrophobicContact CD1-CD2 4.29Å; L121-Y133 HydrophobicContact CD1-CE2 3.68Å; L121-Y133 HydrophobicContact CG-CD2 4.48Å; L121-Y133 HydrophobicContact CG-CE2 4.35Å; L121-T170 HydrophobicContact CD2-CG2 3.97Å; L121-F174 HydrophobicContact CD2-CB 3.79Å; L121-F174 HydrophobicContact CD2-CD1 4.29Å; L121-F174 HydrophobicContact CD2-CD2 3.93Å; L121-F174 HydrophobicContact CD2-CG 3.74Å; L121-F174 HydrophobicContact CG-CB 4.06Å; L121-F174 HydrophobicContact CG-CD1 3.76Å; L121-F174 HydrophobicContact CG-CD2 4.22Å; L121-F174 HydrophobicContact CG-CE1 4.21Å; L121-F174 HydrophobicContact CG-CG 3.74Å
122Y95.8Very high93.6Very high16 Ų1637.6 Ų37.66%0.06321%0.208CC..  trans-62.4136.1-174.7-165.3-94.6000111.3L113 V115 Y117 K119 G120 P124 S131 L132 L420 P431L113-Y122 HydrophobicContact CB-CD2 4.12Å; L113-Y122 HydrophobicContact CB-CE2 3.82Å; L113-Y122 HydrophobicContact CD1-CD1 4.02Å; L113-Y122 HydrophobicContact CD1-CD2 3.8Å; L113-Y122 HydrophobicContact CD1-CE1 4.35Å; L113-Y122 HydrophobicContact CD1-CE2 4.15Å; L113-Y122 HydrophobicContact CD1-CG 3.72Å; V115-Y122 HydrophobicContact CG1-CD2 4.16Å; V115-Y122 HydrophobicContact CG1-CE2 4Å; V115-Y122 HydrophobicContact CG2-CD2 4.03Å; V115-Y122 HydrophobicContact CG2-CE2 4.49Å; Y117-Y122 HydrophobicContact CE2-CD2 4.42Å; K119-Y122 WeakPolarHBondContact O-CB 3.18Å; K119-Y122 PolarHBondContact O-N 3.15Å; G120-Y122 PolarHBondContact O-N 3.21Å; Y122-P124 HydrophobicContact CD1-CB 4.42Å; Y122-P124 HydrophobicContact CE1-CB 4.27Å; Y122-S131 VanDerWaalsContact O-CA 3.3Å; Y122-S131 WeakPolarHBondContact O-CA 3.21Å; Y122-L132 PolarHBondContact O-N 3.32Å; Y122-L132 VanDerWaalsContact O-N 3.15Å; Y122-L420 HydrophobicContact CD1-CD1 4.39Å; Y122-P431 HydrophobicContact CE1-CB 4Å; Y122-P431 HydrophobicContact CE1-CG 3.72Å; Y122-P431 WeakPolarHBondContact OH-CG 3.18Å
123K95.2Very high94.4Very high115 Ų11528.8 Ų28.850%0.518%0.175SC..  trans-112.3105.2179.1-66179.9172.8-164.70108.6L121 N125 G129L121-K123 PolarHBondContact O-N 3.18Å; K123-N125 PolarHBondContact O-N 2.96Å; K123-G129 WeakPolarHBondContact CD-O 3.4Å; K123-G129 VanDerWaalsContact CE-O 3.25Å; K123-G129 WeakPolarHBondContact CE-O 3.25Å; K123-G129 PolarHBondContact NZ-O 3.26Å
124P93Very high95Very high0 Ų031.1 Ų31.10%019%0.186CC..  trans-78.139.4-177.330.6-31.1000112.7Y122 L126 I252 L420 R435Y122-P124 HydrophobicContact CD1-CB 4.42Å; Y122-P124 HydrophobicContact CE1-CB 4.27Å; P124-L126 VanDerWaalsContact C-N 3.29Å; P124-L126 HydrophobicContact CG-CD1 4.4Å; P124-L126 HydrophobicContact CG-CG 4.12Å; P124-L126 PolarHBondContact O-N 3.11Å; P124-I252 HydrophobicContact CB-CD1 4.41Å; P124-I252 HydrophobicContact CG-CD1 3.58Å; P124-L420 HydrophobicContact CB-CD1 4.48Å; P124-R435 WeakPolarHBondContact O-CB 3.49Å
125N92.2Very high95.5Very high41 Ų4127.8 Ų27.822%0.21915%0.152CC..  trans50.442.9-179.4-163.514.4000113.6K123 R435 N519 I522K123-N125 PolarHBondContact O-N 2.96Å; N125-R435 PolarHBondContact ND2-NH1 2.78Å; N125-R435 VanDerWaalsContact O-CD 3.24Å; N125-R435 WeakPolarHBondContact O-CD 3.34Å; N125-R435 PolarHBondContact O-NE 2.9Å; N125-R435 VanDerWaalsContact O-NE 3.12Å; N125-R435 PolarHBondContact O-NH1 2.76Å; N125-N519 PolarHBondContact ND2-O 2.66Å; N125-I522 HydrophobicContact CB-CD1 3.54Å; N125-I522 HydrophobicContact CB-CG1 3.96Å
126L95.4Very high95.9Very high4 Ų426.7 Ų26.72%0.02115%0.145CC..  trans-67.4149.2171.8-64177.5000110.2P124 S128 G129 R130 L135 I252 R435 L438P124-L126 VanDerWaalsContact C-N 3.29Å; P124-L126 HydrophobicContact CG-CD1 4.4Å; P124-L126 HydrophobicContact CG-CG 4.12Å; P124-L126 PolarHBondContact O-N 3.11Å; L126-S128 PolarHBondContact O-N 3.22Å; L126-G129 PolarHBondContact O-N 3.24Å; L126-R130 HydrophobicContact CD1-CB 4.26Å; L126-L135 HydrophobicContact CD1-CD1 3.82Å; L126-L135 HydrophobicContact CD1-CD2 4.16Å; L126-L135 HydrophobicContact CD1-CG 4.35Å; L126-I252 HydrophobicContact CD1-CD1 4.37Å; L126-I252 HydrophobicContact CD2-CD1 4.36Å; L126-R435 HydrophobicContact CD2-CB 4.46Å; L126-R435 HydrophobicContact CD2-CG 4.19Å; L126-L438 HydrophobicContact CD1-CD2 3.62Å; L126-L438 HydrophobicContact CD2-CD2 3.66Å; L126-L438 HydrophobicContact CG-CD2 4.31Å
127P94.6Very high96.3Very high22 Ų2222 Ų2214%0.14311%0.112CC..THydrogen-bonded Turntrans-48-34.2174.5-28.331.8000114.6L439 E476 L499 R501 C516P127-L439 HydrophobicContact CG-CD2 4.2Å; P127-E476 HydrophobicContact CB-CB 4.42Å; P127-E476 WeakPolarHBondContact CB-OE2 3.37Å; P127-E476 WeakPolarHBondContact CD-OE2 3.37Å; P127-E476 HydrophobicContact CG-CB 4.03Å; P127-L499 HydrophobicContact CG-CD1 3.82Å; P127-L499 HydrophobicContact CG-CD2 4.01Å; P127-L499 HydrophobicContact CG-CG 3.97Å; P127-R501 HydrophobicContact CB-CB 4.1Å; P127-R501 PolarHBondContact O-NH1 3.13Å; P127-C516 HydrophobicContact CB-CB 4.41Å
128S95.8Very high96.4Very high30 Ų3018.7 Ų18.721%0.2110%0.1CC..THydrogen-bonded Turntrans-77.4-18.7176.664.60000115.1L126 R130 E476 E503L126-S128 PolarHBondContact O-N 3.22Å; S128-R130 VanDerWaalsContact C-N 3.26Å; S128-R130 PolarHBondContact O-N 3.38Å; S128-R130 WeakPolarHBondContact OG-CB 3.49Å; S128-R130 WeakPolarHBondContact OG-CG 3.41Å; S128-R130 PolarHBondContact OG-N 3.36Å; S128-R130 PolarHBondContact OG-NH1 3.11Å; S128-E476 VanDerWaalsContact CB-OE1 3.23Å; S128-E476 WeakPolarHBondContact CB-OE1 3.44Å; S128-E476 VanDerWaalsContact CB-OE2 3.25Å; S128-E476 WeakPolarHBondContact CB-OE2 3.49Å; S128-E476 PolarHBondContact N-OE2 2.79Å; S128-E476 PolarHBondContact OG-OE1 2.86Å; S128-E476 PolarHBondContact OG-OE2 3.27Å; S128-E503 WeakPolarHBondContact CB-OE1 3.44Å
129G95.7Very high96.6Very high29 Ų2919.2 Ų19.230%0.29910%0.101SC..  trans71.315.4-170.700000114.6K123 L126K123-G129 WeakPolarHBondContact CD-O 3.4Å; K123-G129 VanDerWaalsContact CE-O 3.25Å; K123-G129 WeakPolarHBondContact CE-O 3.25Å; K123-G129 PolarHBondContact NZ-O 3.26Å; L126-G129 PolarHBondContact O-N 3.24Å
130R97.6Very high96.8Very high7 Ų717.8 Ų17.83%0.02610%0.095CC..  trans-59.8141.3177.4-77.5176.7178.289.112.6112.5L126 S128 Q134 L135 E138 E476 S478 E503L126-R130 HydrophobicContact CD1-CB 4.26Å; S128-R130 VanDerWaalsContact C-N 3.26Å; S128-R130 PolarHBondContact O-N 3.38Å; S128-R130 WeakPolarHBondContact OG-CB 3.49Å; S128-R130 WeakPolarHBondContact OG-CG 3.41Å; S128-R130 PolarHBondContact OG-N 3.36Å; S128-R130 PolarHBondContact OG-NH1 3.11Å; R130-Q134 HydrophobicContact CB-CB 4.43Å; R130-Q134 HydrophobicContact CG-CB 4.45Å; R130-Q134 HydrophobicContact CG-CG 4.02Å; R130-L135 HydrophobicContact CB-CD2 4.25Å; R130-L135 HydrophobicContact CB-CG 4.12Å; R130-E138 IonicContact CZ-OE1 3.5Å; R130-E138 IonicContact CZ-OE2 2.69Å; R130-E138 VanDerWaalsContact CZ-OE2 3.26Å; R130-E138 VanDerWaalsContact NE-CD 3.28Å; R130-E138 IonicContact NE-OE1 3.6Å; R130-E138 PolarHBondContact NE-OE1 2.94Å; R130-E138 VanDerWaalsContact NE-OE1 3.09Å; R130-E138 IonicContact NE-OE2 4Å; R130-E138 PolarHBondContact NE-OE2 3.18Å; R130-E138 IonicContact NH2-OE1 3.23Å; R130-E138 PolarHBondContact NH2-OE1 3.43Å; R130-E138 IonicContact NH2-OE2 3.46Å; R130-E138 PolarHBondContact NH2-OE2 3.06Å; R130-E476 IonicContact NH1-OE1 2.98Å; R130-E476 PolarHBondContact NH1-OE1 3.04Å; R130-E476 VanDerWaalsContact NH1-OE1 3.11Å; R130-S478 PolarHBondContact NH2-OG 3.08Å; R130-S478 VanDerWaalsContact NH2-OG 3.11Å; R130-E503 IonicContact CZ-OE1 3.71Å; R130-E503 IonicContact CZ-OE2 2.69Å; R130-E503 IonicContact NH1-OE1 3.52Å; R130-E503 PolarHBondContact NH1-OE1 3.33Å; R130-E503 IonicContact NH1-OE2 2.64Å; R130-E503 IonicContact NH2-OE1 2.92Å; R130-E503 PolarHBondContact NH2-OE1 3.23Å; R130-E503 IonicContact NH2-OE2 3.61Å; R130-E503 PolarHBondContact NH2-OE2 3.31Å
131S97.9Very high96.8Very high0 Ų020.8 Ų20.80%011%0.109CC..  trans-85.2169.1165.166.10000111.4Y122 Y133 Q134 L135Y122-S131 VanDerWaalsContact O-CA 3.3Å; Y122-S131 WeakPolarHBondContact O-CA 3.21Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 PolarHBondContact O-N 2.86Å; S131-Q134 PolarHBondContact O-N 3.36Å; S131-Q134 PolarHBondContact OG-N 2.87Å; S131-L135 PolarHBondContact O-N 3.47Å
132L97.8Very high96.8Very high1 Ų119.7 Ų19.71%0.00510%0.103CC..Hα-helixtrans-58.6-44173.2-67.1170.6000112.3K119 G120 Y122 Q134 L135 Q136 I252 L420K119-L132 HydrophobicContact CG-CD1 4.47Å; G120-L132 PolarHBondContact O-N 2.99Å; Y122-L132 PolarHBondContact O-N 3.32Å; Y122-L132 VanDerWaalsContact O-N 3.15Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.29Å; L132-L135 PolarHBondContact O-N 2.66Å; L132-Q136 VanDerWaalsContact O-CG 3.32Å; L132-Q136 WeakPolarHBondContact O-CG 3.36Å; L132-Q136 PolarHBondContact O-N 2.98Å; L132-Q136 VanDerWaalsContact O-N 3.1Å; L132-I252 HydrophobicContact CD2-CB 4.19Å; L132-I252 HydrophobicContact CD2-CG1 4.06Å; L132-L420 HydrophobicContact CD1-CD1 3.79Å; L132-L420 HydrophobicContact CD2-CD1 3.78Å; L132-L420 HydrophobicContact CG-CD1 4.17Å
133Y98.3Very high97Very high1 Ų119 Ų190%0.00410%0.1CC..Hα-helixtrans-60.9-40.5175.6-70.8-40.9000112.1L104 A106 G120 L121 S131 Q136 A137 T171 F174 F175 V249L104-Y133 HydrophobicContact CD2-CD1 3.94Å; L104-Y133 HydrophobicContact CD2-CE1 3.64Å; A106-Y133 HydrophobicContact CB-CE1 4.39Å; A106-Y133 WeakPolarHBondContact CB-OH 3.42Å; G120-Y133 VanDerWaalsContact O-CD2 3.28Å; G120-Y133 WeakPolarHBondContact O-CD2 3.5Å; G120-Y133 PolarHBondContact O-N 2.75Å; L121-Y133 HydrophobicContact CD1-CD2 4.29Å; L121-Y133 HydrophobicContact CD1-CE2 3.68Å; L121-Y133 HydrophobicContact CG-CD2 4.48Å; L121-Y133 HydrophobicContact CG-CE2 4.35Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 PolarHBondContact O-N 2.86Å; Y133-Q136 PolarHBondContact O-N 3.48Å; Y133-A137 VanDerWaalsContact O-CB 3.29Å; Y133-A137 WeakPolarHBondContact O-CB 3.06Å; Y133-A137 PolarHBondContact O-N 3.48Å; Y133-T171 HydrophobicContact CE2-CG2 3.82Å; Y133-T171 WeakPolarHBondContact OH-CG2 3.34Å; Y133-T171 PolarHBondContact OH-OG1 2.85Å; Y133-F174 AromaticContact CD2-CD1 3.77Å; Y133-F174 HydrophobicContact CD2-CD1 3.77Å; Y133-F174 AromaticContact CD2-CE1 3.98Å; Y133-F174 HydrophobicContact CD2-CE1 3.98Å; Y133-F174 HydrophobicContact CE2-CD1 4.48Å; Y133-F175 AromaticContact CD1-CE2 3.98Å; Y133-F175 HydrophobicContact CD1-CE2 3.98Å; Y133-F175 HydrophobicContact CD1-CZ 4.08Å; Y133-F175 HydrophobicContact CD2-CD2 4.45Å; Y133-F175 AromaticContact CD2-CE2 3.67Å; Y133-F175 HydrophobicContact CD2-CE2 3.67Å; Y133-F175 HydrophobicContact CD2-CZ 4.46Å; Y133-F175 HydrophobicContact CE1-CE2 4.25Å; Y133-F175 AromaticContact CE2-CE2 3.92Å; Y133-F175 HydrophobicContact CE2-CE2 3.92Å; Y133-F175 AromaticContact CG-CE2 3.69Å; Y133-F175 HydrophobicContact CG-CE2 3.69Å; Y133-F175 HydrophobicContact CG-CZ 4.03Å; Y133-V249 HydrophobicContact CD1-CG2 4.14Å; Y133-V249 HydrophobicContact CE1-CG2 3.78Å
134Q98.3Very high97.1Very high53 Ų5314 Ų1425%0.2488%0.08CC..Hα-helixtrans-66-43.5179.2-173.1176.4-5.200111.8R130 S131 L132 Q136 A137 E138 F181R130-Q134 HydrophobicContact CB-CB 4.43Å; R130-Q134 HydrophobicContact CG-CB 4.45Å; R130-Q134 HydrophobicContact CG-CG 4.02Å; S131-Q134 PolarHBondContact O-N 3.36Å; S131-Q134 PolarHBondContact OG-N 2.87Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.29Å; Q134-Q136 VanDerWaalsContact C-N 3.31Å; Q134-Q136 PolarHBondContact O-N 3.2Å; Q134-A137 PolarHBondContact O-N 3.47Å; Q134-E138 HydrophobicContact CG-CG 4.36Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.05Å; Q134-E138 PolarHBondContact NE2-OE1 2.9Å; Q134-E138 WeakPolarHBondContact O-CB 3.45Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 3.45Å; Q134-F181 HydrophobicContact CB-CD1 4.06Å; Q134-F181 HydrophobicContact CB-CE1 3.91Å; Q134-F181 HydrophobicContact CG-CD1 3.96Å; Q134-F181 HydrophobicContact CG-CE1 4.23Å
135L98.5Very high97.3Very high1 Ų116 Ų161%0.0059%0.089CC..Hα-helixtrans-57.2-45174.8-72.7168.1000111.8L126 R130 S131 L132 R139 I252 L438 P479L126-L135 HydrophobicContact CD1-CD1 3.82Å; L126-L135 HydrophobicContact CD1-CD2 4.16Å; L126-L135 HydrophobicContact CD1-CG 4.35Å; R130-L135 HydrophobicContact CB-CD2 4.25Å; R130-L135 HydrophobicContact CB-CG 4.12Å; S131-L135 PolarHBondContact O-N 3.47Å; L132-L135 PolarHBondContact O-N 2.66Å; L135-R139 VanDerWaalsContact O-CG 3.25Å; L135-R139 WeakPolarHBondContact O-CG 3.3Å; L135-R139 PolarHBondContact O-N 3.4Å; L135-R139 VanDerWaalsContact O-N 3.07Å; L135-I252 HydrophobicContact CD1-CD1 4.23Å; L135-I252 HydrophobicContact CD1-CG1 3.65Å; L135-L438 HydrophobicContact CD1-CD2 4.38Å; L135-L438 HydrophobicContact CD2-CD2 4.39Å; L135-P479 HydrophobicContact CD2-CG 4.04Å
136Q98.5Very high97.5Very high1 Ų114.7 Ų14.71%0.0058%0.082CC..Hα-helixtrans-67.6-42.6179.8-68.51649.600111.5L132 Y133 Q134 E138 R139 L140 W159 Y247 V249 V254 V256L132-Q136 VanDerWaalsContact O-CG 3.32Å; L132-Q136 WeakPolarHBondContact O-CG 3.36Å; L132-Q136 PolarHBondContact O-N 2.98Å; L132-Q136 VanDerWaalsContact O-N 3.1Å; Y133-Q136 PolarHBondContact O-N 3.48Å; Q134-Q136 VanDerWaalsContact C-N 3.31Å; Q134-Q136 PolarHBondContact O-N 3.2Å; Q136-E138 PolarHBondContact O-N 3.48Å; Q136-R139 WeakPolarHBondContact O-CB 3.44Å; Q136-R139 PolarHBondContact O-N 3.31Å; Q136-L140 WeakPolarHBondContact O-CG 3.33Å; Q136-L140 PolarHBondContact O-N 3.29Å; Q136-L140 VanDerWaalsContact O-N 3.08Å; Q136-W159 HydrophobicContact CB-CH2 3.89Å; Q136-W159 HydrophobicContact CB-CZ2 3.91Å; Q136-Y247 HydrophobicContact CG-CE2 4.24Å; Q136-Y247 PolarHBondContact OE1-OH 2.84Å; Q136-V249 PolarHBondContact NE2-O 2.84Å; Q136-V254 HydrophobicContact CG-CG1 4.24Å; Q136-V256 HydrophobicContact CB-CG2 4.24Å; Q136-V256 HydrophobicContact CG-CG2 4.38Å
137A98.5Very high97.7Very high0 Ų014.5 Ų14.50%08%0.081CC..Hα-helixtrans-61.7-45176.900000111.9Y133 Q134 R139 L140 H141 W159 F181 H183Y133-A137 VanDerWaalsContact O-CB 3.29Å; Y133-A137 WeakPolarHBondContact O-CB 3.06Å; Y133-A137 PolarHBondContact O-N 3.48Å; Q134-A137 PolarHBondContact O-N 3.47Å; A137-R139 VanDerWaalsContact C-N 3.35Å; A137-R139 PolarHBondContact O-N 3.34Å; A137-L140 PolarHBondContact O-N 2.97Å; A137-H141 PolarHBondContact O-N 2.97Å; A137-W159 HydrophobicContact CB-CH2 4.04Å; A137-W159 HydrophobicContact CB-CZ3 3.68Å; A137-F181 HydrophobicContact CB-CB 3.55Å; A137-F181 HydrophobicContact CB-CD2 3.78Å; A137-F181 HydrophobicContact CB-CG 3.78Å; A137-H183 PolarHBondContact O-NE2 2.83Å
138E98.2Very high97.9Very high14 Ų1419.3 Ų19.37%0.06510%0.1CC..Hα-helixtrans-67.1-35.8179.2-70.6-177.9-158.700111.7R130 Q134 Q136 H141 R142 S478 P479 L480R130-E138 IonicContact CZ-OE1 3.5Å; R130-E138 IonicContact CZ-OE2 2.69Å; R130-E138 VanDerWaalsContact CZ-OE2 3.26Å; R130-E138 VanDerWaalsContact NE-CD 3.28Å; R130-E138 IonicContact NE-OE1 3.6Å; R130-E138 PolarHBondContact NE-OE1 2.94Å; R130-E138 VanDerWaalsContact NE-OE1 3.09Å; R130-E138 IonicContact NE-OE2 4Å; R130-E138 PolarHBondContact NE-OE2 3.18Å; R130-E138 IonicContact NH2-OE1 3.23Å; R130-E138 PolarHBondContact NH2-OE1 3.43Å; R130-E138 IonicContact NH2-OE2 3.46Å; R130-E138 PolarHBondContact NH2-OE2 3.06Å; Q134-E138 HydrophobicContact CG-CG 4.36Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.05Å; Q134-E138 PolarHBondContact NE2-OE1 2.9Å; Q134-E138 WeakPolarHBondContact O-CB 3.45Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 3.45Å; Q136-E138 PolarHBondContact O-N 3.48Å; E138-H141 PolarHBondContact O-N 2.77Å; E138-R142 WeakPolarHBondContact O-CB 3.31Å; E138-R142 PolarHBondContact O-N 2.83Å; E138-S478 PolarHBondContact OE2-OG 3.44Å; E138-P479 HydrophobicContact CB-CB 3.75Å; E138-P479 HydrophobicContact CB-CG 4.11Å; E138-P479 WeakPolarHBondContact OE2-CD 3.46Å; E138-L480 HydrophobicContact CB-CD2 3.96Å; E138-L480 HydrophobicContact CB-CG 3.93Å; E138-L480 HydrophobicContact CG-CD1 4.18Å; E138-L480 HydrophobicContact CG-CD2 3.94Å; E138-L480 HydrophobicContact CG-CG 3.77Å
139R98.5Very high97.9Very high12 Ų1223.8 Ų23.85%0.04512%0.117CC..Hα-helixtrans-59.6-46.7172-77.8172.2-175.1154.39.5112.1L135 Q136 A137 H141 R142 V143 I252 V254 V256 P479 Y483L135-R139 VanDerWaalsContact O-CG 3.25Å; L135-R139 WeakPolarHBondContact O-CG 3.3Å; L135-R139 PolarHBondContact O-N 3.4Å; L135-R139 VanDerWaalsContact O-N 3.07Å; Q136-R139 WeakPolarHBondContact O-CB 3.44Å; Q136-R139 PolarHBondContact O-N 3.31Å; A137-R139 VanDerWaalsContact C-N 3.35Å; A137-R139 PolarHBondContact O-N 3.34Å; R139-H141 VanDerWaalsContact C-N 3.33Å; R139-H141 PolarHBondContact O-N 3.05Å; R139-R142 PolarHBondContact O-N 3.44Å; R139-V143 PolarHBondContact O-N 2.9Å; R139-V143 VanDerWaalsContact O-N 3.09Å; R139-I252 VanDerWaalsContact CZ-O 3.26Å; R139-I252 PolarHBondContact NH1-O 3.23Å; R139-I252 PolarHBondContact NH2-O 3.09Å; R139-V254 WeakPolarHBondContact CD-O 3.4Å; R139-V254 PolarHBondContact NH1-O 2.74Å; R139-V256 HydrophobicContact CB-CG2 4.06Å; R139-P479 HydrophobicContact CG-CB 3.78Å; R139-P479 HydrophobicContact CG-CG 4.27Å; R139-Y483 HydrophobicContact CB-CD2 4.39Å; R139-Y483 HydrophobicContact CB-CE2 4.05Å; R139-Y483 HydrophobicContact CG-CE2 4.35Å
140L98.6Very high98Very high1 Ų129.3 Ų29.31%0.00513%0.133CC..Hα-helixtrans-60.9-44.4176.4-67.5169.5000111.4V102 Q136 A137 R142 V143 C144 I157 W159 V256V102-L140 HydrophobicContact CB-CD2 4.5Å; V102-L140 HydrophobicContact CG1-CD2 3.97Å; V102-L140 HydrophobicContact CG2-CD1 4.01Å; V102-L140 HydrophobicContact CG2-CD2 3.73Å; Q136-L140 WeakPolarHBondContact O-CG 3.33Å; Q136-L140 PolarHBondContact O-N 3.29Å; Q136-L140 VanDerWaalsContact O-N 3.08Å; A137-L140 PolarHBondContact O-N 2.97Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 2.76Å; L140-V143 PolarHBondContact O-N 2.93Å; L140-C144 PolarHBondContact O-N 3.45Å; L140-C144 VanDerWaalsContact O-N 3.1Å; L140-I157 HydrophobicContact CD2-CD1 4.19Å; L140-I157 HydrophobicContact CD2-CG2 3.91Å; L140-W159 HydrophobicContact CD1-CB 4.45Å; L140-W159 HydrophobicContact CD1-CD2 3.59Å; L140-W159 HydrophobicContact CD1-CE3 3.46Å; L140-W159 VanDerWaalsContact CD1-CE3 3.46Å; L140-W159 HydrophobicContact CD1-CG 4.07Å; L140-W159 HydrophobicContact CD1-CH2 4.32Å; L140-W159 HydrophobicContact CD1-CZ2 4.43Å; L140-W159 HydrophobicContact CD1-CZ3 3.87Å; L140-V256 HydrophobicContact CD2-CB 4.4Å; L140-V256 WeakPolarHBondContact CD2-O 3.43Å; L140-V256 HydrophobicContact CG-CG2 4.45Å
141H97.4Very high98Very high63 Ų6332.1 Ų32.129%0.29215%0.146SC..Hα-helixtrans-60.8-43.2178.2-168.882.1000111.6A137 E138 R139 V143 C144 Q145 L480A137-H141 PolarHBondContact O-N 2.97Å; E138-H141 PolarHBondContact O-N 2.77Å; R139-H141 VanDerWaalsContact C-N 3.33Å; R139-H141 PolarHBondContact O-N 3.05Å; H141-V143 PolarHBondContact O-N 2.86Å; H141-C144 WeakPolarHBondContact O-CB 3.27Å; H141-C144 PolarHBondContact O-N 3.05Å; H141-Q145 PolarHBondContact CD2-NE2 3.08Å; H141-Q145 PolarHBondContact NE2-NE2 3.16Å; H141-Q145 WeakPolarHBondContact O-CG 3.37Å; H141-Q145 PolarHBondContact O-N 2.73Å; H141-L480 HydrophobicContact CB-CD2 3.96Å
142R97.8Very high98Very high3 Ų335.2 Ų35.21%0.01118%0.177CC..Hα-helixtrans-61.8-42.4177.4-17966.5-155.91284.4112.5E138 R139 L140 C144 Q145 M146 E149 P479 L480 I481 E486E138-R142 WeakPolarHBondContact O-CB 3.31Å; E138-R142 PolarHBondContact O-N 2.83Å; R139-R142 PolarHBondContact O-N 3.44Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 2.76Å; R142-C144 VanDerWaalsContact C-N 3.33Å; R142-C144 PolarHBondContact O-N 3.47Å; R142-Q145 WeakPolarHBondContact O-CB 3.47Å; R142-Q145 PolarHBondContact O-N 2.58Å; R142-Q145 VanDerWaalsContact O-N 3.14Å; R142-M146 HydrophobicContact CG-SD 4.13Å; R142-M146 VanDerWaalsContact O-CG 3.24Å; R142-M146 WeakPolarHBondContact O-CG 3.48Å; R142-M146 PolarHBondContact O-N 3.37Å; R142-E149 IonicContact CZ-OE1 3.09Å; R142-E149 IonicContact CZ-OE2 2.8Å; R142-E149 IonicContact NH1-OE1 3.43Å; R142-E149 PolarHBondContact NH1-OE1 3.38Å; R142-E149 IonicContact NH1-OE2 3.71Å; R142-E149 IonicContact NH2-OE1 3.46Å; R142-E149 IonicContact NH2-OE2 3Å; R142-E149 PolarHBondContact NH2-OE2 2.8Å; R142-P479 WeakPolarHBondContact CB-O 3.21Å; R142-P479 WeakPolarHBondContact CG-O 3.37Å; R142-L480 WeakPolarHBondContact CD-O 3.35Å; R142-I481 PolarHBondContact NE-O 2.88Å; R142-E486 IonicContact CZ-OE1 2.66Å; R142-E486 IonicContact NE-OE1 3.01Å; R142-E486 PolarHBondContact NE-OE1 2.89Å; R142-E486 IonicContact NH2-OE1 2.93Å; R142-E486 PolarHBondContact NH2-OE1 3.19Å
143V98.5Very high97.9Very high0 Ų042.1 Ų42.10%021%0.207CC..Hα-helixtrans-61.1-42.4174.8175.90000111.2L92 V95 R139 L140 H141 Q145 M146 C147 I157 P257 L259 Y483L92-V143 HydrophobicContact CD1-CG1 4.36Å; V95-V143 HydrophobicContact CG1-CG1 3.99Å; V95-V143 HydrophobicContact CG2-CG1 4.35Å; R139-V143 PolarHBondContact O-N 2.9Å; R139-V143 VanDerWaalsContact O-N 3.09Å; L140-V143 PolarHBondContact O-N 2.93Å; H141-V143 PolarHBondContact O-N 2.86Å; V143-Q145 VanDerWaalsContact C-N 3.32Å; V143-Q145 PolarHBondContact O-N 2.93Å; V143-M146 WeakPolarHBondContact O-CB 3.48Å; V143-M146 PolarHBondContact O-N 2.79Å; V143-C147 PolarHBondContact O-N 2.74Å; V143-I157 HydrophobicContact CB-CD1 4.15Å; V143-I157 HydrophobicContact CG1-CD1 4.02Å; V143-P257 HydrophobicContact CG1-CG 4.16Å; V143-L259 HydrophobicContact CG1-CD1 4.38Å; V143-L259 HydrophobicContact CG1-CD2 3.99Å; V143-Y483 HydrophobicContact CG2-CD1 4.28Å; V143-Y483 HydrophobicContact CG2-CD2 3.58Å; V143-Y483 HydrophobicContact CG2-CE1 4.19Å; V143-Y483 HydrophobicContact CG2-CE2 3.5Å; V143-Y483 VanDerWaalsContact CG2-CE2 3.5Å; V143-Y483 HydrophobicContact CG2-CG 3.99Å
144C98.1Very high97.8Very high12 Ų1246.3 Ų46.38%0.08123%0.233CC..Hα-helixtrans-60.2-40.5173.7-73.40000112.5L140 H141 R142 C147 K148 T154 P155L140-C144 PolarHBondContact O-N 3.45Å; L140-C144 VanDerWaalsContact O-N 3.1Å; H141-C144 WeakPolarHBondContact O-CB 3.27Å; H141-C144 PolarHBondContact O-N 3.05Å; R142-C144 VanDerWaalsContact C-N 3.33Å; R142-C144 PolarHBondContact O-N 3.47Å; C144-C147 PolarHBondContact O-N 3.36Å; C144-K148 PolarHBondContact O-N 3.32Å; C144-T154 HydrophobicContact CB-CG2 4.11Å; C144-P155 PolarHBondContact SG-O 3.08Å
145Q96.6Very high97.7Very high40 Ų4044.1 Ų44.119%0.18722%0.224CC..Hα-helixtrans-64.5-41.6174.6-69.1176.5-12.400111.9H141 R142 V143 C147 K148 E149 L480H141-Q145 PolarHBondContact CD2-NE2 3.08Å; H141-Q145 PolarHBondContact NE2-NE2 3.16Å; H141-Q145 WeakPolarHBondContact O-CG 3.37Å; H141-Q145 PolarHBondContact O-N 2.73Å; R142-Q145 WeakPolarHBondContact O-CB 3.47Å; R142-Q145 PolarHBondContact O-N 2.58Å; R142-Q145 VanDerWaalsContact O-N 3.14Å; V143-Q145 VanDerWaalsContact C-N 3.32Å; V143-Q145 PolarHBondContact O-N 2.93Å; Q145-C147 VanDerWaalsContact C-N 3.3Å; Q145-C147 PolarHBondContact O-N 3.24Å; Q145-K148 CarbonylContact O-C 3.15Å; Q145-K148 WeakPolarHBondContact O-CA 3.13Å; Q145-K148 WeakPolarHBondContact O-CB 3.3Å; Q145-K148 PolarHBondContact O-N 3.39Å; Q145-E149 WeakPolarHBondContact O-CG 3.37Å; Q145-E149 PolarHBondContact O-N 3.42Å; Q145-L480 PolarHBondContact OE1-O 3.08Å
146M98Very high97.4Very high14 Ų1446.5 Ų46.57%0.06924%0.24CC..Hα-helixtrans-60.5-39.1175.4-67162.468.300111.8F88 L92 R142 V143 E149 K150 L259 Y483F88-M146 HydrophobicContact CE2-CE 4.1Å; F88-M146 HydrophobicContact CZ-CE 3.47Å; F88-M146 VanDerWaalsContact CZ-CE 3.47Å; L92-M146 HydrophobicContact CD1-CB 4.07Å; R142-M146 HydrophobicContact CG-SD 4.13Å; R142-M146 VanDerWaalsContact O-CG 3.24Å; R142-M146 WeakPolarHBondContact O-CG 3.48Å; R142-M146 PolarHBondContact O-N 3.37Å; V143-M146 WeakPolarHBondContact O-CB 3.48Å; V143-M146 PolarHBondContact O-N 2.79Å; M146-E149 PolarHBondContact O-N 3.34Å; M146-K150 WeakPolarHBondContact O-CB 3.49Å; M146-K150 PolarHBondContact O-N 3.32Å; M146-L259 HydrophobicContact CE-CD1 4.15Å; M146-Y483 VanDerWaalsContact SD-CB 3.55Å; M146-Y483 HydrophobicContact SD-CG 4.15Å
147C98.5Very high97.4Very high0 Ų046.8 Ų46.80%024%0.242CC..Hα-helixtrans-62.9-41.8171.7-690000111.7L92 N96 V143 C144 Q145 K150 F151 K153 P155L92-C147 VanDerWaalsContact CD1-SG 3.51Å; L92-C147 PolarHBondContact O-SG 3.11Å; N96-C147 HydrophobicContact CB-CB 4.21Å; V143-C147 PolarHBondContact O-N 2.74Å; C144-C147 PolarHBondContact O-N 3.36Å; Q145-C147 VanDerWaalsContact C-N 3.3Å; Q145-C147 PolarHBondContact O-N 3.24Å; C147-K150 PolarHBondContact O-N 3.1Å; C147-F151 HydrophobicContact CB-CD2 4.35Å; C147-F151 WeakPolarHBondContact O-CA 3.48Å; C147-F151 WeakPolarHBondContact O-CB 3.39Å; C147-F151 PolarHBondContact O-N 3.36Å; C147-K153 CarbonylContact C-O 3.57Å; C147-K153 VanDerWaalsContact C-O 3.32Å; C147-P155 VanDerWaalsContact CB-CD 3.41Å; C147-P155 HydrophobicContact CB-CG 3.61Å
148K97.9Very high97.5Very high123 Ų12347 Ų4754%0.53524%0.243SC..Hα-helixtrans-61.4-44.8175.6-170.4-170.5-175.1177.50111.8C144 Q145 G152 K153 T154C144-K148 PolarHBondContact O-N 3.32Å; Q145-K148 CarbonylContact O-C 3.15Å; Q145-K148 WeakPolarHBondContact O-CA 3.13Å; Q145-K148 WeakPolarHBondContact O-CB 3.3Å; Q145-K148 PolarHBondContact O-N 3.39Å; K148-G152 WeakPolarHBondContact O-CA 3.47Å; K148-G152 PolarHBondContact O-N 3.5Å; K148-K153 WeakPolarHBondContact CA-O 3.31Å; K148-K153 PolarHBondContact N-O 3.37Å; K148-K153 VanDerWaalsContact N-O 3.12Å; K148-T154 WeakPolarHBondContact CD-OG1 3.28Å
149E96.6Very high97.5Very high124 Ų12446.5 Ų46.558%0.57924%0.241SC*.Hα-helixtrans-61.5-42.1176.9-70.9159.8-164.600111.8R142 Q145 M146R142-E149 IonicContact CZ-OE1 3.09Å; R142-E149 IonicContact CZ-OE2 2.8Å; R142-E149 IonicContact NH1-OE1 3.43Å; R142-E149 PolarHBondContact NH1-OE1 3.38Å; R142-E149 IonicContact NH1-OE2 3.71Å; R142-E149 IonicContact NH2-OE1 3.46Å; R142-E149 IonicContact NH2-OE2 3Å; R142-E149 PolarHBondContact NH2-OE2 2.8Å; Q145-E149 WeakPolarHBondContact O-CG 3.37Å; Q145-E149 PolarHBondContact O-N 3.42Å; M146-E149 PolarHBondContact O-N 3.34Å
150K97.6Very high97.5Very high145 Ų14545.9 Ų45.963%0.6324%0.238SC*.Hα-helixtrans-84.2-36.7-174.9-170.567.1174.4-169.80114.1L92 M146 C147L92-K150 HydrophobicContact CD2-CB 4.09Å; L92-K150 HydrophobicContact CD2-CG 4.15Å; M146-K150 WeakPolarHBondContact O-CB 3.49Å; M146-K150 PolarHBondContact O-N 3.32Å; C147-K150 PolarHBondContact O-N 3.1Å
151F98.1Very high97.5Very high67 Ų6745.9 Ų45.929%0.29424%0.238SC..Hα-helixtrans-123.1-2.3-168.8-55.3-65.2000114L92 R93 N96 C147 K153L92-F151 HydrophobicContact CB-CE2 4.48Å; L92-F151 HydrophobicContact CD2-CE2 3.96Å; L92-F151 HydrophobicContact CD2-CZ 4.5Å; L92-F151 HydrophobicContact CG-CE2 3.92Å; R93-F151 HydrophobicContact CB-CZ 4.31Å; N96-F151 HydrophobicContact CB-CD2 3.52Å; N96-F151 HydrophobicContact CB-CE2 3.81Å; N96-F151 HydrophobicContact CB-CG 4.3Å; N96-F151 WeakPolarHBondContact OD1-CB 3.23Å; C147-F151 HydrophobicContact CB-CD2 4.35Å; C147-F151 WeakPolarHBondContact O-CA 3.48Å; C147-F151 WeakPolarHBondContact O-CB 3.39Å; C147-F151 PolarHBondContact O-N 3.36Å; F151-K153 PolarHBondContact O-N 3.5Å
152G97.7Very high97.6Very high64 Ų6442.9 Ų42.966%0.6623%0.225SC*.SBendtrans74.39179.500000114.7K148K148-G152 WeakPolarHBondContact O-CA 3.47Å; K148-G152 PolarHBondContact O-N 3.5Å
153K95.7Very high97.6Very high146 Ų14642.8 Ų42.864%0.63522%0.224SC*.  trans-131.2136.7-178.1-64-178-177.9-179.80110.7C147 K148 F151 P155C147-K153 CarbonylContact C-O 3.57Å; C147-K153 VanDerWaalsContact C-O 3.32Å; K148-K153 WeakPolarHBondContact CA-O 3.31Å; K148-K153 PolarHBondContact N-O 3.37Å; K148-K153 VanDerWaalsContact N-O 3.12Å; F151-K153 PolarHBondContact O-N 3.5Å; K153-P155 VanDerWaalsContact O-CD 3.3Å; K153-P155 WeakPolarHBondContact O-CD 3.24Å
154T96.3Very high97.4Very high90 Ų9042.9 Ų42.955%0.55223%0.225SC*.  trans-89.6110.7170.1-50.70000108.5C144 K148C144-T154 HydrophobicContact CB-CG2 4.11Å; K148-T154 WeakPolarHBondContact CD-OG1 3.28Å
155P96.8Very high97.1Very high7 Ų747.2 Ų47.25%0.04524%0.244CC..  trans-75.9168.817432.9-34.8000111.2V95 N98 C144 C147 K153V95-P155 HydrophobicContact CG1-CB 4.48Å; V95-P155 HydrophobicContact CG1-CG 3.89Å; V95-P155 WeakPolarHBondContact O-CB 3.46Å; N98-P155 WeakPolarHBondContact OD1-CA 3.42Å; N98-P155 VanDerWaalsContact OD1-CB 3.31Å; N98-P155 WeakPolarHBondContact OD1-CB 3.37Å; C144-P155 PolarHBondContact SG-O 3.08Å; C147-P155 VanDerWaalsContact CB-CD 3.41Å; C147-P155 HydrophobicContact CB-CG 3.61Å; K153-P155 VanDerWaalsContact O-CD 3.3Å; K153-P155 WeakPolarHBondContact O-CD 3.24Å
156S92.6Very high96.8Very high51 Ų5149.7 Ų49.736%0.35726%0.255SS..  trans-105.4118.3168.3-700000109.2N98 N187N98-S156 PolarHBondContact OD1-N 3.29Å; N98-S156 PolarHBondContact OD1-O 3.09Å; S156-N187 WeakPolarHBondContact CB-ND2 3.48Å; S156-N187 PolarHBondContact OG-ND2 2.96Å
157I98.4Very high96.7Very high7 Ų749 Ų494%0.03625%0.252CS..  trans-92.4112.1168.4-58.3167000107.2V95 V102 L140 V143 W159 P257V95-I157 HydrophobicContact CG1-CD1 3.81Å; V95-I157 HydrophobicContact CG1-CG1 3.7Å; V102-I157 HydrophobicContact CG1-CG2 4.31Å; V102-I157 HydrophobicContact CG2-CG2 4.3Å; L140-I157 HydrophobicContact CD2-CD1 4.19Å; L140-I157 HydrophobicContact CD2-CG2 3.91Å; V143-I157 HydrophobicContact CB-CD1 4.15Å; V143-I157 HydrophobicContact CG1-CD1 4.02Å; I157-W159 PolarHBondContact O-N 3.47Å; I157-P257 HydrophobicContact CD1-CG 4.22Å
158T98.7Very high96.6Very high5 Ų551.2 Ų51.23%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-69.6129.1174.4-50.50000109.7A101 V102 Y160 N187 V189A101-T158 WeakPolarHBondContact CA-O 3.33Å; A101-T158 WeakPolarHBondContact CB-O 3.22Å; V102-T158 PolarHBondContact N-O 2.77Å; T158-Y160 HydrophobicContact CG2-CD1 4.39Å; T158-Y160 HydrophobicContact CG2-CD2 4.14Å; T158-Y160 HydrophobicContact CG2-CE1 3.86Å; T158-Y160 HydrophobicContact CG2-CE2 3.6Å; T158-Y160 HydrophobicContact CG2-CG 4.5Å; T158-Y160 VanDerWaalsContact CG2-CZ 3.43Å; T158-N187 CarbonylContact C-O 3.24Å; T158-N187 WeakPolarHBondContact CA-O 3.46Å; T158-V189 HydrophobicContact CG2-CG2 4.23Å
159W98.8Very high96.6Very high2 Ų251.7 Ų51.71%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-110.2100.7177.9-166.7-1.1000109.9V102 L104 Q136 A137 L140 I157 I161 F175 N187 I188 V189 Y247V102-W159 HydrophobicContact CG2-CB 4.14Å; V102-W159 HydrophobicContact CG2-CG 3.88Å; L104-W159 HydrophobicContact CD2-CZ2 3.71Å; Q136-W159 HydrophobicContact CB-CH2 3.89Å; Q136-W159 HydrophobicContact CB-CZ2 3.91Å; A137-W159 HydrophobicContact CB-CH2 4.04Å; A137-W159 HydrophobicContact CB-CZ3 3.68Å; L140-W159 HydrophobicContact CD1-CB 4.45Å; L140-W159 HydrophobicContact CD1-CD2 3.59Å; L140-W159 HydrophobicContact CD1-CE3 3.46Å; L140-W159 VanDerWaalsContact CD1-CE3 3.46Å; L140-W159 HydrophobicContact CD1-CG 4.07Å; L140-W159 HydrophobicContact CD1-CH2 4.32Å; L140-W159 HydrophobicContact CD1-CZ2 4.43Å; L140-W159 HydrophobicContact CD1-CZ3 3.87Å; I157-W159 PolarHBondContact O-N 3.47Å; W159-I161 HydrophobicContact CD2-CD1 3.97Å; W159-I161 HydrophobicContact CD2-CG1 4.22Å; W159-I161 HydrophobicContact CE3-CD1 4.45Å; W159-I161 HydrophobicContact CG-CD1 4.2Å; W159-I161 HydrophobicContact CG-CG1 3.99Å; W159-I161 HydrophobicContact CZ2-CD1 4.44Å; W159-F175 HydrophobicContact CE3-CE1 4.2Å; W159-F175 HydrophobicContact CH2-CE1 4.17Å; W159-F175 AromaticContact CH2-CZ 3.98Å; W159-F175 HydrophobicContact CH2-CZ 3.98Å; W159-F175 HydrophobicContact CZ2-CZ 4.46Å; W159-F175 AromaticContact CZ3-CE1 3.78Å; W159-F175 HydrophobicContact CZ3-CE1 3.78Å; W159-F175 HydrophobicContact CZ3-CZ 4.07Å; W159-N187 PolarHBondContact N-O 3.43Å; W159-I188 HydrophobicContact CB-CG1 4.42Å; W159-V189 PolarHBondContact O-N 3.3Å; W159-Y247 WeakPolarHBondContact CZ2-OH 3.24Å; W159-Y247 PolarHBondContact NE1-OH 2.88Å
160Y98.9Very high96.6Very high0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-82.7121.6172.9-63.1-74.3000109A101 V102 L103 L104 T158 V189 I232 D235 M236A101-Y160 HydrophobicContact CB-CD2 3.84Å; A101-Y160 HydrophobicContact CB-CE2 3.58Å; V102-Y160 PolarHBondContact O-N 3.1Å; L103-Y160 CarbonylContact C-O 3.43Å; L103-Y160 VanDerWaalsContact CA-O 3.32Å; L103-Y160 WeakPolarHBondContact CA-O 3.49Å; L104-Y160 PolarHBondContact N-O 3.03Å; T158-Y160 HydrophobicContact CG2-CD1 4.39Å; T158-Y160 HydrophobicContact CG2-CD2 4.14Å; T158-Y160 HydrophobicContact CG2-CE1 3.86Å; T158-Y160 HydrophobicContact CG2-CE2 3.6Å; T158-Y160 HydrophobicContact CG2-CG 4.5Å; T158-Y160 VanDerWaalsContact CG2-CZ 3.43Å; Y160-V189 CarbonylContact C-O 3.47Å; Y160-V189 WeakPolarHBondContact CA-O 3.33Å; Y160-V189 HydrophobicContact CD1-CB 3.64Å; Y160-V189 HydrophobicContact CD1-CG1 3.92Å; Y160-V189 HydrophobicContact CD1-CG2 4.24Å; Y160-V189 HydrophobicContact CE1-CB 3.89Å; Y160-V189 HydrophobicContact CE1-CG1 4.09Å; Y160-V189 HydrophobicContact CE1-CG2 4.01Å; Y160-I232 HydrophobicContact CD1-CG2 3.53Å; Y160-I232 HydrophobicContact CE1-CG2 3.68Å; Y160-I232 HydrophobicContact CG-CG2 4.11Å; Y160-D235 WeakPolarHBondContact CE1-OD2 3.28Å; Y160-D235 VanDerWaalsContact CZ-OD2 3.25Å; Y160-D235 PolarHBondContact OH-OD2 3.32Å; Y160-M236 HydrophobicContact CD2-CE 3.67Å; Y160-M236 HydrophobicContact CE1-CG 4.47Å; Y160-M236 HydrophobicContact CE2-CE 3.65Å; Y160-M236 HydrophobicContact CE2-CG 3.62Å; Y160-M236 HydrophobicContact CG-CE 4.26Å; Y160-M236 WeakPolarHBondContact OH-CA 3.31Å; Y160-M236 WeakPolarHBondContact OH-CG 3.4Å; Y160-M236 PolarHBondContact OH-N 3.48Å
161I98.8Very high96.7Very high0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-115.8104.8-178.1-57.2177.7000108.4L104 A106 W159 T163 T171 F175 I188 V189 F190 F191L104-I161 HydrophobicContact CB-CG1 4.39Å; L104-I161 HydrophobicContact CD2-CG2 4.42Å; A106-I161 HydrophobicContact CB-CG2 3.99Å; W159-I161 HydrophobicContact CD2-CD1 3.97Å; W159-I161 HydrophobicContact CD2-CG1 4.22Å; W159-I161 HydrophobicContact CE3-CD1 4.45Å; W159-I161 HydrophobicContact CG-CD1 4.2Å; W159-I161 HydrophobicContact CG-CG1 3.99Å; W159-I161 HydrophobicContact CZ2-CD1 4.44Å; I161-T163 HydrophobicContact CG2-CG2 4.07Å; I161-T171 HydrophobicContact CG2-CG2 4.48Å; I161-F175 HydrophobicContact CD1-CE1 3.78Å; I161-F175 HydrophobicContact CD1-CE2 4.13Å; I161-F175 HydrophobicContact CD1-CZ 3.47Å; I161-F175 VanDerWaalsContact CD1-CZ 3.47Å; I161-I188 HydrophobicContact CD1-CG2 3.81Å; I161-V189 PolarHBondContact N-O 3.22Å; I161-F190 HydrophobicContact CB-CD1 3.76Å; I161-F190 HydrophobicContact CB-CE1 4.12Å; I161-F190 HydrophobicContact CD1-CD1 4.11Å; I161-F190 HydrophobicContact CD1-CE1 3.56Å; I161-F190 HydrophobicContact CD1-CZ 4.19Å; I161-F190 HydrophobicContact CG1-CD1 4.45Å; I161-F190 HydrophobicContact CG1-CE1 4.37Å; I161-F190 HydrophobicContact CG2-CD1 3.95Å; I161-F190 HydrophobicContact CG2-CE1 4.2Å; I161-F190 WeakPolarHBondContact O-CA 3.46Å; I161-F191 PolarHBondContact O-N 2.86Å
162M98.6Very high96.7Very high1 Ų139.6 Ų39.61%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-80.1119175.2-167.4178.578.100109.6L104 L105 A106 G107 F191 Q193 L223L104-M162 PolarHBondContact O-N 3.42Å; L105-M162 HydrophobicContact CD2-CE 3.47Å; L105-M162 VanDerWaalsContact CD2-CE 3.47Å; L105-M162 HydrophobicContact CD2-SD 4.24Å; A106-M162 CarbonylContact C-O 3.58Å; A106-M162 WeakPolarHBondContact CA-O 3.47Å; A106-M162 WeakPolarHBondContact CB-O 3.24Å; A106-M162 PolarHBondContact N-O 3.14Å; G107-M162 PolarHBondContact N-O 2.94Å; M162-F191 CarbonylContact C-O 3.53Å; M162-F191 WeakPolarHBondContact CA-O 3.32Å; M162-F191 HydrophobicContact CB-CE1 3.84Å; M162-F191 HydrophobicContact CB-CE2 3.85Å; M162-F191 HydrophobicContact CB-CZ 3.45Å; M162-F191 VanDerWaalsContact CB-CZ 3.45Å; M162-F191 HydrophobicContact CG-CD2 4.22Å; M162-F191 HydrophobicContact CG-CE1 4.49Å; M162-F191 HydrophobicContact CG-CE2 3.63Å; M162-F191 HydrophobicContact CG-CZ 3.8Å; M162-F191 HydrophobicContact SD-CE2 4.1Å; M162-F191 HydrophobicContact SD-CZ 4.36Å; M162-Q193 HydrophobicContact CE-CB 4.27Å; M162-Q193 HydrophobicContact CG-CB 4.08Å; M162-Q193 HydrophobicContact SD-CB 3.94Å; M162-L223 HydrophobicContact CE-CB 4.31Å; M162-L223 WeakPolarHBondContact SD-CA 3.32Å; M162-L223 HydrophobicContact SD-CB 3.75Å; M162-L223 HydrophobicContact SD-CD1 3.71Å; M162-L223 HydrophobicContact SD-CG 4.38Å
163T97.7Very high96.7Very high0 Ų040.9 Ų40.90%021%0.207CC..EExtended strand (participates in β ladder)trans-116.1174.3179.753.10000110.2I161 T167 K168 T171 F191 E192 Q193I161-T163 HydrophobicContact CG2-CG2 4.07Å; T163-T167 WeakPolarHBondContact CB-OG1 3.17Å; T163-K168 HydrophobicContact CG2-CD 4.37Å; T163-K168 WeakPolarHBondContact OG1-CD 3.45Å; T163-T171 HydrophobicContact CG2-CG2 4.34Å; T163-F191 PolarHBondContact N-O 2.94Å; T163-F191 PolarHBondContact OG1-O 3.37Å; T163-E192 CarbonylContact O-C 3.55Å; T163-E192 WeakPolarHBondContact O-CA 3.36Å; T163-Q193 WeakPolarHBondContact O-CG 3.43Å; T163-Q193 PolarHBondContact O-N 3.07Å
164S95Very high96.8Very high2 Ų235.8 Ų35.81%0.01419%0.185CC..  trans-116.1171.2167.466.90000109.8G107 H166 T167 K168G107-S164 WeakPolarHBondContact O-CB 3.18Å; G107-S164 PolarHBondContact O-OG 3.31Å; S164-H166 PolarHBondContact O-N 3.43Å; S164-H166 PolarHBondContact OG-N 3.2Å; S164-T167 PolarHBondContact N-OG1 3.04Å; S164-T167 PolarHBondContact O-N 3.01Å; S164-K168 WeakPolarHBondContact O-CB 3.38Å; S164-K168 PolarHBondContact O-N 3.12Å
165E92Very high97Very high103 Ų10331.5 Ų31.548%0.48116%0.158SC..THydrogen-bonded Turntrans-47.9-36.2172.3-177.7-176.6160.400111.8
166H90.7Very high97Very high92 Ų9236.1 Ų36.143%0.42618%0.179SC..THydrogen-bonded Turntrans-83.4-15.2-178.7-55.3-49.5000114.6Q109 S164Q109-H166 HydrophobicContact CG-CB 4.39Å; S164-H166 PolarHBondContact O-N 3.43Å; S164-H166 PolarHBondContact OG-N 3.2Å
167T94.9Very high97.3Very high0 Ų038.3 Ų38.30%019%0.194CC..THydrogen-bonded Turntrans-116.2-16.4-175.568.50000114.5A106 G107 Q109 P118 T163 S164 T171A106-T167 PolarHBondContact O-OG1 3.07Å; G107-T167 WeakPolarHBondContact O-CG2 3.34Å; Q109-T167 HydrophobicContact CG-CG2 4.05Å; P118-T167 HydrophobicContact CB-CG2 3.99Å; P118-T167 HydrophobicContact CG-CG2 3.94Å; T163-T167 WeakPolarHBondContact CB-OG1 3.17Å; S164-T167 PolarHBondContact N-OG1 3.04Å; S164-T167 PolarHBondContact O-N 3.01Å; T167-T171 WeakPolarHBondContact O-CB 3.48Å; T167-T171 PolarHBondContact O-N 3.42Å; T167-T171 VanDerWaalsContact O-N 3.09Å; T167-T171 PolarHBondContact O-OG1 2.85Å
168K96.8Very high97.3Very high46 Ų4639.8 Ų39.820%0.221%0.206CC..Hα-helixtrans-58.1-63.2-173.5178.368.8-177.4-139.10112.6T163 S164 T170 T171 V172 F190 E192T163-K168 HydrophobicContact CG2-CD 4.37Å; T163-K168 WeakPolarHBondContact OG1-CD 3.45Å; S164-K168 WeakPolarHBondContact O-CB 3.38Å; S164-K168 PolarHBondContact O-N 3.12Å; K168-T170 PolarHBondContact O-N 2.8Å; K168-T171 PolarHBondContact O-N 3.33Å; K168-V172 HydrophobicContact CD-CG2 4.16Å; K168-V172 WeakPolarHBondContact O-CG2 3.2Å; K168-V172 PolarHBondContact O-N 3.1Å; K168-F190 HydrophobicContact CD-CB 4.25Å; K168-F190 PolarHBondContact NZ-O 2.84Å; K168-E192 HydrophobicContact CB-CG 4.06Å; K168-E192 HydrophobicContact CD-CG 3.86Å; K168-E192 HydrophobicContact CG-CG 4.01Å
169E97.7Very high97.2Very high134 Ų13445.5 Ų45.563%0.62624%0.236SC*.Hα-helixtrans-60.5-51.6-171-175.7178.2179.500111.8T171 V172 Q173E169-T171 VanDerWaalsContact C-N 3.26Å; E169-T171 PolarHBondContact O-N 3.39Å; E169-V172 PolarHBondContact O-N 3.07Å; E169-Q173 HydrophobicContact CG-CG 4.46Å; E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 3.18Å; E169-Q173 PolarHBondContact OE1-NE2 3.1Å
170T97.8Very high97.2Very high54 Ų5447.6 Ų47.633%0.33124%0.244SC..Hα-helixtrans-61.1-35.2178.7-50.30000112.4P118 L121 K168 F174P118-T170 HydrophobicContact CG-CG2 4.19Å; L121-T170 HydrophobicContact CD2-CG2 3.97Å; K168-T170 PolarHBondContact O-N 2.8Å; T170-F174 WeakPolarHBondContact O-CB 3.41Å; T170-F174 PolarHBondContact O-N 3.01Å; T170-F174 VanDerWaalsContact O-N 3.16Å
171T98.2Very high97.1Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-67.7-48.2176-62.30000110.7Y133 I161 T163 T167 K168 E169 Q173 F174 F175 F190Y133-T171 HydrophobicContact CE2-CG2 3.82Å; Y133-T171 WeakPolarHBondContact OH-CG2 3.34Å; Y133-T171 PolarHBondContact OH-OG1 2.85Å; I161-T171 HydrophobicContact CG2-CG2 4.48Å; T163-T171 HydrophobicContact CG2-CG2 4.34Å; T167-T171 WeakPolarHBondContact O-CB 3.48Å; T167-T171 PolarHBondContact O-N 3.42Å; T167-T171 VanDerWaalsContact O-N 3.09Å; T167-T171 PolarHBondContact O-OG1 2.85Å; K168-T171 PolarHBondContact O-N 3.33Å; E169-T171 VanDerWaalsContact C-N 3.26Å; E169-T171 PolarHBondContact O-N 3.39Å; T171-Q173 PolarHBondContact O-N 2.96Å; T171-F174 PolarHBondContact O-N 2.87Å; T171-F175 HydrophobicContact CG2-CD2 4.06Å; T171-F175 HydrophobicContact CG2-CE2 3.95Å; T171-F175 VanDerWaalsContact O-CD2 3.31Å; T171-F175 WeakPolarHBondContact O-CD2 3.28Å; T171-F175 PolarHBondContact O-N 2.97Å; T171-F175 VanDerWaalsContact O-N 3.13Å; T171-F190 HydrophobicContact CG2-CD1 4.28Å; T171-F190 HydrophobicContact CG2-CE1 3.81Å
172V98.4Very high96.8Very high27 Ų2751.7 Ų51.716%0.16428%0.277CS..Hα-helixtrans-59.8-49.3179.4173.20000110.9K168 E169 F174 F175 E176 F190K168-V172 HydrophobicContact CD-CG2 4.16Å; K168-V172 WeakPolarHBondContact O-CG2 3.2Å; K168-V172 PolarHBondContact O-N 3.1Å; E169-V172 PolarHBondContact O-N 3.07Å; V172-F174 VanDerWaalsContact C-N 3.25Å; V172-F174 PolarHBondContact O-N 2.86Å; V172-F175 PolarHBondContact O-N 2.82Å; V172-F175 VanDerWaalsContact O-N 3.11Å; V172-E176 HydrophobicContact CG1-CG 4.31Å; V172-E176 WeakPolarHBondContact O-CG 3.29Å; V172-E176 PolarHBondContact O-N 3.49Å; V172-F190 HydrophobicContact CG2-CB 4.3Å; V172-F190 HydrophobicContact CG2-CD1 4.11Å; V172-F190 HydrophobicContact CG2-CD2 3.89Å; V172-F190 HydrophobicContact CG2-CE1 4.4Å; V172-F190 HydrophobicContact CG2-CE2 4.18Å; V172-F190 HydrophobicContact CG2-CG 3.85Å; V172-F190 HydrophobicContact CG2-CZ 4.43Å
173Q98.4Very high96.7Very high92 Ų9253.1 Ų53.143%0.4328%0.283SS..Hα-helixtrans-58.3-36.5178.4-72.6171.7-7.700112.7E169 T171 S177E169-Q173 HydrophobicContact CG-CG 4.46Å; E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 3.18Å; E169-Q173 PolarHBondContact OE1-NE2 3.1Å; T171-Q173 PolarHBondContact O-N 2.96Å; Q173-S177 VanDerWaalsContact O-CB 3.31Å; Q173-S177 WeakPolarHBondContact O-CB 3.39Å; Q173-S177 PolarHBondContact O-N 3.47Å; Q173-S177 PolarHBondContact O-OG 3.14Å
174F98.3Very high96.6Very high39 Ų3957.1 Ų57.117%0.17131%0.305CS..Hα-helixtrans-69.2-39.6177.6-176.8-115000112.5L121 Y133 T170 T171 V172 S177 S178 F181L121-F174 HydrophobicContact CD2-CB 3.79Å; L121-F174 HydrophobicContact CD2-CD1 4.29Å; L121-F174 HydrophobicContact CD2-CD2 3.93Å; L121-F174 HydrophobicContact CD2-CG 3.74Å; L121-F174 HydrophobicContact CG-CB 4.06Å; L121-F174 HydrophobicContact CG-CD1 3.76Å; L121-F174 HydrophobicContact CG-CD2 4.22Å; L121-F174 HydrophobicContact CG-CE1 4.21Å; L121-F174 HydrophobicContact CG-CG 3.74Å; Y133-F174 AromaticContact CD2-CD1 3.77Å; Y133-F174 HydrophobicContact CD2-CD1 3.77Å; Y133-F174 AromaticContact CD2-CE1 3.98Å; Y133-F174 HydrophobicContact CD2-CE1 3.98Å; Y133-F174 HydrophobicContact CE2-CD1 4.48Å; T170-F174 WeakPolarHBondContact O-CB 3.41Å; T170-F174 PolarHBondContact O-N 3.01Å; T170-F174 VanDerWaalsContact O-N 3.16Å; T171-F174 PolarHBondContact O-N 2.87Å; V172-F174 VanDerWaalsContact C-N 3.25Å; V172-F174 PolarHBondContact O-N 2.86Å; F174-S177 WeakPolarHBondContact CA-OG 3.36Å; F174-S177 PolarHBondContact O-OG 2.97Å; F174-S178 VanDerWaalsContact O-CB 3.27Å; F174-S178 WeakPolarHBondContact O-CB 3.4Å; F174-S178 PolarHBondContact O-N 2.98Å; F174-S178 VanDerWaalsContact O-N 3.11Å; F174-S178 PolarHBondContact O-OG 3.24Å; F174-F181 AromaticContact CD1-CZ 3.93Å; F174-F181 HydrophobicContact CD1-CZ 3.93Å; F174-F181 HydrophobicContact CE1-CE1 4.21Å; F174-F181 HydrophobicContact CE1-CE2 4.5Å; F174-F181 AromaticContact CE1-CZ 3.5Å; F174-F181 HydrophobicContact CE1-CZ 3.5Å; F174-F181 HydrophobicContact CZ-CE1 4.41Å; F174-F181 HydrophobicContact CZ-CZ 4.11Å
175F98.5Very high96.7Very high0 Ų059.6 Ų59.60%032%0.322CS..Hα-helixtrans-65.7-46.6174-86.4-109.4000110.8Y133 W159 I161 T171 V172 S178 N179 Y180 F181 I188 F190Y133-F175 AromaticContact CD1-CE2 3.98Å; Y133-F175 HydrophobicContact CD1-CE2 3.98Å; Y133-F175 HydrophobicContact CD1-CZ 4.08Å; Y133-F175 HydrophobicContact CD2-CD2 4.45Å; Y133-F175 AromaticContact CD2-CE2 3.67Å; Y133-F175 HydrophobicContact CD2-CE2 3.67Å; Y133-F175 HydrophobicContact CD2-CZ 4.46Å; Y133-F175 HydrophobicContact CE1-CE2 4.25Å; Y133-F175 AromaticContact CE2-CE2 3.92Å; Y133-F175 HydrophobicContact CE2-CE2 3.92Å; Y133-F175 AromaticContact CG-CE2 3.69Å; Y133-F175 HydrophobicContact CG-CE2 3.69Å; Y133-F175 HydrophobicContact CG-CZ 4.03Å; W159-F175 HydrophobicContact CE3-CE1 4.2Å; W159-F175 HydrophobicContact CH2-CE1 4.17Å; W159-F175 AromaticContact CH2-CZ 3.98Å; W159-F175 HydrophobicContact CH2-CZ 3.98Å; W159-F175 HydrophobicContact CZ2-CZ 4.46Å; W159-F175 AromaticContact CZ3-CE1 3.78Å; W159-F175 HydrophobicContact CZ3-CE1 3.78Å; W159-F175 HydrophobicContact CZ3-CZ 4.07Å; I161-F175 HydrophobicContact CD1-CE1 3.78Å; I161-F175 HydrophobicContact CD1-CE2 4.13Å; I161-F175 HydrophobicContact CD1-CZ 3.47Å; I161-F175 VanDerWaalsContact CD1-CZ 3.47Å; T171-F175 HydrophobicContact CG2-CD2 4.06Å; T171-F175 HydrophobicContact CG2-CE2 3.95Å; T171-F175 VanDerWaalsContact O-CD2 3.31Å; T171-F175 WeakPolarHBondContact O-CD2 3.28Å; T171-F175 PolarHBondContact O-N 2.97Å; T171-F175 VanDerWaalsContact O-N 3.13Å; V172-F175 PolarHBondContact O-N 2.82Å; V172-F175 VanDerWaalsContact O-N 3.11Å; F175-S178 CarbonylContact O-C 3.53Å; F175-S178 PolarHBondContact O-N 2.97Å; F175-N179 PolarHBondContact O-N 2.91Å; F175-Y180 HydrophobicContact CB-CD1 3.97Å; F175-Y180 HydrophobicContact CB-CE1 4.17Å; F175-Y180 HydrophobicContact CD1-CD1 4.24Å; F175-Y180 WeakPolarHBondContact O-CA 3.42Å; F175-Y180 PolarHBondContact O-N 3.01Å; F175-F181 AromaticContact CD1-CD2 3.98Å; F175-F181 HydrophobicContact CD1-CD2 3.98Å; F175-F181 AromaticContact CD1-CE2 3.75Å; F175-F181 HydrophobicContact CD1-CE2 3.75Å; F175-F181 HydrophobicContact CD2-CE2 4.1Å; F175-F181 AromaticContact CE1-CD2 3.96Å; F175-F181 HydrophobicContact CE1-CD2 3.96Å; F175-F181 AromaticContact CE1-CE2 3.78Å; F175-F181 HydrophobicContact CE1-CE2 3.78Å; F175-F181 HydrophobicContact CE2-CE2 4.14Å; F175-F181 AromaticContact CG-CE2 3.93Å; F175-F181 HydrophobicContact CG-CE2 3.93Å; F175-F181 AromaticContact CZ-CE2 3.98Å; F175-F181 HydrophobicContact CZ-CE2 3.98Å; F175-I188 HydrophobicContact CD1-CD1 4.03Å; F175-I188 HydrophobicContact CD1-CG2 4.39Å; F175-I188 HydrophobicContact CE1-CD1 4.18Å; F175-I188 HydrophobicContact CE1-CG2 4.42Å; F175-F190 HydrophobicContact CB-CZ 3.88Å; F175-F190 AromaticContact CD1-CZ 3.96Å; F175-F190 HydrophobicContact CD1-CZ 3.96Å; F175-F190 HydrophobicContact CD2-CE1 4.1Å; F175-F190 AromaticContact CD2-CZ 4Å; F175-F190 HydrophobicContact CD2-CZ 4Å; F175-F190 HydrophobicContact CE1-CZ 4.48Å; F175-F190 HydrophobicContact CE2-CE1 4.29Å; F175-F190 HydrophobicContact CG-CE1 4.24Å; F175-F190 AromaticContact CG-CZ 3.68Å; F175-F190 HydrophobicContact CG-CZ 3.68Å
176E98.3Very high96.9Very high103 Ų10359.7 Ų59.748%0.48133%0.325SS..Hα-helixtrans-59.5-50.1177.7-72.3174.9164.100112.3V172 S178 N179 Y180V172-E176 HydrophobicContact CG1-CG 4.31Å; V172-E176 WeakPolarHBondContact O-CG 3.29Å; V172-E176 PolarHBondContact O-N 3.49Å; E176-S178 PolarHBondContact O-N 3Å; E176-N179 PolarHBondContact O-N 2.92Å; E176-Y180 HydrophobicContact CG-CE2 4.1Å; E176-Y180 WeakPolarHBondContact CG-OH 3.18Å
177S98.1Very high97.3Very high97 Ų9756.4 Ų56.468%0.67831%0.311SS*.Hα-helixtrans-64.5-22178.156.10000113.5Q173 F174Q173-S177 VanDerWaalsContact O-CB 3.31Å; Q173-S177 WeakPolarHBondContact O-CB 3.39Å; Q173-S177 PolarHBondContact O-N 3.47Å; Q173-S177 PolarHBondContact O-OG 3.14Å; F174-S177 WeakPolarHBondContact CA-OG 3.36Å; F174-S177 PolarHBondContact O-OG 2.97Å
178S97.8Very high97.4Very high39 Ų3957 Ų5727%0.27331%0.314SS..THydrogen-bonded Turntrans-94.612.9173.7-53.50000113.2F174 F175 E176 Y180 F181F174-S178 VanDerWaalsContact O-CB 3.27Å; F174-S178 WeakPolarHBondContact O-CB 3.4Å; F174-S178 PolarHBondContact O-N 2.98Å; F174-S178 VanDerWaalsContact O-N 3.11Å; F174-S178 PolarHBondContact O-OG 3.24Å; F175-S178 CarbonylContact O-C 3.53Å; F175-S178 PolarHBondContact O-N 2.97Å; E176-S178 PolarHBondContact O-N 3Å; S178-Y180 PolarHBondContact O-N 3.16Å; S178-F181 PolarHBondContact O-N 3.11Å
179N97.6Very high97.5Very high124 Ų12456.2 Ų56.266%0.66331%0.313SS*.G310 helixtrans48.444.8-174.3-171.944.6000112.5F175 E176 F181 G182F175-N179 PolarHBondContact O-N 2.91Å; E176-N179 PolarHBondContact O-N 2.92Å; N179-F181 PolarHBondContact O-N 3.33Å; N179-G182 PolarHBondContact O-N 3.41Å
180Y97.8Very high97.6Very high46 Ų4651.5 Ų51.518%0.1829%0.29CS..G310 helixtrans51.827-177.5-63.7-89.9000113.8F175 E176 S178 G182 H183 C185 I188 F190F175-Y180 HydrophobicContact CB-CD1 3.97Å; F175-Y180 HydrophobicContact CB-CE1 4.17Å; F175-Y180 HydrophobicContact CD1-CD1 4.24Å; F175-Y180 WeakPolarHBondContact O-CA 3.42Å; F175-Y180 PolarHBondContact O-N 3.01Å; E176-Y180 HydrophobicContact CG-CE2 4.1Å; E176-Y180 WeakPolarHBondContact CG-OH 3.18Å; S178-Y180 PolarHBondContact O-N 3.16Å; Y180-G182 PolarHBondContact O-N 2.74Å; Y180-G182 VanDerWaalsContact O-N 3.14Å; Y180-H183 WeakPolarHBondContact O-CB 3.36Å; Y180-H183 PolarHBondContact O-CD2 3.33Å; Y180-H183 PolarHBondContact O-N 2.75Å; Y180-C185 HydrophobicContact CD1-CB 4.06Å; Y180-C185 HydrophobicContact CD2-CB 3.86Å; Y180-C185 HydrophobicContact CE1-CB 3.9Å; Y180-C185 HydrophobicContact CE2-CB 3.71Å; Y180-C185 HydrophobicContact CG-CB 4.04Å; Y180-I188 HydrophobicContact CD1-CD1 3.75Å; Y180-I188 HydrophobicContact CG-CD1 4.33Å; Y180-F190 HydrophobicContact CE1-CE2 4.21Å
181F96.7Very high97.6Very high35 Ų3549.3 Ų49.315%0.15428%0.276CS..G310 helixtrans53.629.9-174.8-49-75.2000113.4Q134 A137 F174 F175 S178 N179 H183Q134-F181 HydrophobicContact CB-CD1 4.06Å; Q134-F181 HydrophobicContact CB-CE1 3.91Å; Q134-F181 HydrophobicContact CG-CD1 3.96Å; Q134-F181 HydrophobicContact CG-CE1 4.23Å; A137-F181 HydrophobicContact CB-CB 3.55Å; A137-F181 HydrophobicContact CB-CD2 3.78Å; A137-F181 HydrophobicContact CB-CG 3.78Å; F174-F181 AromaticContact CD1-CZ 3.93Å; F174-F181 HydrophobicContact CD1-CZ 3.93Å; F174-F181 HydrophobicContact CE1-CE1 4.21Å; F174-F181 HydrophobicContact CE1-CE2 4.5Å; F174-F181 AromaticContact CE1-CZ 3.5Å; F174-F181 HydrophobicContact CE1-CZ 3.5Å; F174-F181 HydrophobicContact CZ-CE1 4.41Å; F174-F181 HydrophobicContact CZ-CZ 4.11Å; F175-F181 AromaticContact CD1-CD2 3.98Å; F175-F181 HydrophobicContact CD1-CD2 3.98Å; F175-F181 AromaticContact CD1-CE2 3.75Å; F175-F181 HydrophobicContact CD1-CE2 3.75Å; F175-F181 HydrophobicContact CD2-CE2 4.1Å; F175-F181 AromaticContact CE1-CD2 3.96Å; F175-F181 HydrophobicContact CE1-CD2 3.96Å; F175-F181 AromaticContact CE1-CE2 3.78Å; F175-F181 HydrophobicContact CE1-CE2 3.78Å; F175-F181 HydrophobicContact CE2-CE2 4.14Å; F175-F181 AromaticContact CG-CE2 3.93Å; F175-F181 HydrophobicContact CG-CE2 3.93Å; F175-F181 AromaticContact CZ-CE2 3.98Å; F175-F181 HydrophobicContact CZ-CE2 3.98Å; S178-F181 PolarHBondContact O-N 3.11Å; N179-F181 PolarHBondContact O-N 3.33Å; F181-H183 VanDerWaalsContact C-N 3.34Å
182G94.1Very high97.6Very high52 Ų5252 Ų5254%0.53629%0.289SS..G310 helixtrans816-178.100000115.1N179 Y180N179-G182 PolarHBondContact O-N 3.41Å; Y180-G182 PolarHBondContact O-N 2.74Å; Y180-G182 VanDerWaalsContact O-N 3.14Å
183H95.8Very high97.5Very high31 Ų3151.3 Ų51.314%0.14428%0.284CS..SBendtrans-79.9153.4171.1-73.6-89.8000111.6A137 Y180 F181 C185 I188A137-H183 PolarHBondContact O-NE2 2.83Å; Y180-H183 WeakPolarHBondContact O-CB 3.36Å; Y180-H183 PolarHBondContact O-CD2 3.33Å; Y180-H183 PolarHBondContact O-N 2.75Å; F181-H183 VanDerWaalsContact C-N 3.34Å; H183-C185 PolarHBondContact O-N 2.93Å; H183-I188 HydrophobicContact CB-CD1 3.71Å; H183-I188 HydrophobicContact CB-CG1 4.41Å
184N96.1Very high97.3Very high83 Ų8349 Ų4944%0.44427%0.271SS..  trans-66.9122.7164.9-177-6.2000108.8D186 N187N184-D186 PolarHBondContact O-N 2.78Å; N184-D186 WeakPolarHBondContact OD1-CB 3.03Å; N184-D186 PolarHBondContact OD1-N 2.94Å; N184-N187 PolarHBondContact O-N 2.92Å
185C96.7Very high97Very high55 Ų5549.5 Ų49.537%0.37228%0.278SS..G310 helixtrans-57.5-29177.656.70000113.1Y180 H183 N187 I188Y180-C185 HydrophobicContact CD1-CB 4.06Å; Y180-C185 HydrophobicContact CD2-CB 3.86Å; Y180-C185 HydrophobicContact CE1-CB 3.9Å; Y180-C185 HydrophobicContact CE2-CB 3.71Å; Y180-C185 HydrophobicContact CG-CB 4.04Å; H183-C185 PolarHBondContact O-N 2.93Å; C185-N187 PolarHBondContact O-N 3.3Å; C185-N187 VanDerWaalsContact O-N 3.13Å; C185-I188 PolarHBondContact O-N 3.13Å
186D96.9Very high96.7Very high105 Ų10550.3 Ų50.356%0.56128%0.282SS*.G310 helixtrans-65.4-16.1177.5-62.8-23.4000113.6N184 R239N184-D186 PolarHBondContact O-N 2.78Å; N184-D186 WeakPolarHBondContact OD1-CB 3.03Å; N184-D186 PolarHBondContact OD1-N 2.94Å; D186-R239 PolarHBondContact O-NH1 3.38Å; D186-R239 PolarHBondContact O-NH2 2.75Å
187N97.8Very high96.5Very high22 Ų2246 Ų4612%0.11826%0.263CS..G310 helixtrans-100.32176.4-68.7-36.7000112.7S156 T158 W159 N184 C185 R239S156-N187 WeakPolarHBondContact CB-ND2 3.48Å; S156-N187 PolarHBondContact OG-ND2 2.96Å; T158-N187 CarbonylContact C-O 3.24Å; T158-N187 WeakPolarHBondContact CA-O 3.46Å; W159-N187 PolarHBondContact N-O 3.43Å; N184-N187 PolarHBondContact O-N 2.92Å; C185-N187 PolarHBondContact O-N 3.3Å; C185-N187 VanDerWaalsContact O-N 3.13Å; N187-R239 PolarHBondContact OD1-NH1 2.83Å
188I98.5Very high96.3Very high12 Ų1241.4 Ų41.46%0.06223%0.231CC..EExtended strand (participates in β ladder)trans-111.5108.5175.7-62173.2000108.3W159 I161 F175 Y180 H183 C185 F190W159-I188 HydrophobicContact CB-CG1 4.42Å; I161-I188 HydrophobicContact CD1-CG2 3.81Å; F175-I188 HydrophobicContact CD1-CD1 4.03Å; F175-I188 HydrophobicContact CD1-CG2 4.39Å; F175-I188 HydrophobicContact CE1-CD1 4.18Å; F175-I188 HydrophobicContact CE1-CG2 4.42Å; Y180-I188 HydrophobicContact CD1-CD1 3.75Å; Y180-I188 HydrophobicContact CG-CD1 4.33Å; H183-I188 HydrophobicContact CB-CD1 3.71Å; H183-I188 HydrophobicContact CB-CG1 4.41Å; C185-I188 PolarHBondContact O-N 3.13Å; I188-F190 HydrophobicContact CG2-CD2 4.16Å; I188-F190 HydrophobicContact CG2-CE1 4.13Å; I188-F190 HydrophobicContact CG2-CE2 3.54Å; I188-F190 HydrophobicContact CG2-CZ 3.51Å
189V98.6Very high96.1Very high30 Ų3039.7 Ų39.718%0.18222%0.219CC..EExtended strand (participates in β ladder)trans-111.9102.4-173.8-178.10000109T158 W159 Y160 I161 I232T158-V189 HydrophobicContact CG2-CG2 4.23Å; W159-V189 PolarHBondContact O-N 3.3Å; Y160-V189 CarbonylContact C-O 3.47Å; Y160-V189 WeakPolarHBondContact CA-O 3.33Å; Y160-V189 HydrophobicContact CD1-CB 3.64Å; Y160-V189 HydrophobicContact CD1-CG1 3.92Å; Y160-V189 HydrophobicContact CD1-CG2 4.24Å; Y160-V189 HydrophobicContact CE1-CB 3.89Å; Y160-V189 HydrophobicContact CE1-CG1 4.09Å; Y160-V189 HydrophobicContact CE1-CG2 4.01Å; I161-V189 PolarHBondContact N-O 3.22Å; V189-I232 HydrophobicContact CG1-CD1 3.95Å
190F98.6Very high95.9Very high35 Ų3534.4 Ų34.415%0.15419%0.191CC..EExtended strand (participates in β ladder)trans-83.4131.9173.9-56.8-84.9000110.6I161 K168 T171 V172 F175 Y180 I188I161-F190 HydrophobicContact CB-CD1 3.76Å; I161-F190 HydrophobicContact CB-CE1 4.12Å; I161-F190 HydrophobicContact CD1-CD1 4.11Å; I161-F190 HydrophobicContact CD1-CE1 3.56Å; I161-F190 HydrophobicContact CD1-CZ 4.19Å; I161-F190 HydrophobicContact CG1-CD1 4.45Å; I161-F190 HydrophobicContact CG1-CE1 4.37Å; I161-F190 HydrophobicContact CG2-CD1 3.95Å; I161-F190 HydrophobicContact CG2-CE1 4.2Å; I161-F190 WeakPolarHBondContact O-CA 3.46Å; K168-F190 HydrophobicContact CD-CB 4.25Å; K168-F190 PolarHBondContact NZ-O 2.84Å; T171-F190 HydrophobicContact CG2-CD1 4.28Å; T171-F190 HydrophobicContact CG2-CE1 3.81Å; V172-F190 HydrophobicContact CG2-CB 4.3Å; V172-F190 HydrophobicContact CG2-CD1 4.11Å; V172-F190 HydrophobicContact CG2-CD2 3.89Å; V172-F190 HydrophobicContact CG2-CE1 4.4Å; V172-F190 HydrophobicContact CG2-CE2 4.18Å; V172-F190 HydrophobicContact CG2-CG 3.85Å; V172-F190 HydrophobicContact CG2-CZ 4.43Å; F175-F190 HydrophobicContact CB-CZ 3.88Å; F175-F190 AromaticContact CD1-CZ 3.96Å; F175-F190 HydrophobicContact CD1-CZ 3.96Å; F175-F190 HydrophobicContact CD2-CE1 4.1Å; F175-F190 AromaticContact CD2-CZ 4Å; F175-F190 HydrophobicContact CD2-CZ 4Å; F175-F190 HydrophobicContact CE1-CZ 4.48Å; F175-F190 HydrophobicContact CE2-CE1 4.29Å; F175-F190 HydrophobicContact CG-CE1 4.24Å; F175-F190 AromaticContact CG-CZ 3.68Å; F175-F190 HydrophobicContact CG-CZ 3.68Å; Y180-F190 HydrophobicContact CE1-CE2 4.21Å; I188-F190 HydrophobicContact CG2-CD2 4.16Å; I188-F190 HydrophobicContact CG2-CE1 4.13Å; I188-F190 HydrophobicContact CG2-CE2 3.54Å; I188-F190 HydrophobicContact CG2-CZ 3.51Å
191F98.5Very high95.5Very high8 Ų836.2 Ų36.24%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-141157.2173.968-74.1000110.6L103 I161 M162 T163 L223 A226 L227 R230 I232L103-F191 HydrophobicContact CD1-CZ 4.16Å; L103-F191 HydrophobicContact CD2-CZ 4.48Å; L103-F191 HydrophobicContact CG-CZ 4.42Å; I161-F191 PolarHBondContact O-N 2.86Å; M162-F191 CarbonylContact C-O 3.53Å; M162-F191 WeakPolarHBondContact CA-O 3.32Å; M162-F191 HydrophobicContact CB-CE1 3.84Å; M162-F191 HydrophobicContact CB-CE2 3.85Å; M162-F191 HydrophobicContact CB-CZ 3.45Å; M162-F191 VanDerWaalsContact CB-CZ 3.45Å; M162-F191 HydrophobicContact CG-CD2 4.22Å; M162-F191 HydrophobicContact CG-CE1 4.49Å; M162-F191 HydrophobicContact CG-CE2 3.63Å; M162-F191 HydrophobicContact CG-CZ 3.8Å; M162-F191 HydrophobicContact SD-CE2 4.1Å; M162-F191 HydrophobicContact SD-CZ 4.36Å; T163-F191 PolarHBondContact N-O 2.94Å; T163-F191 PolarHBondContact OG1-O 3.37Å; F191-L223 HydrophobicContact CE2-CD1 4.19Å; F191-L223 HydrophobicContact CZ-CD1 3.94Å; F191-A226 HydrophobicContact CD2-CB 3.99Å; F191-A226 HydrophobicContact CE2-CB 3.91Å; F191-L227 HydrophobicContact CE2-CD2 4.46Å; F191-L227 HydrophobicContact CZ-CD2 4.29Å; F191-R230 HydrophobicContact CB-CB 4.43Å; F191-I232 HydrophobicContact CB-CD1 3.73Å; F191-I232 HydrophobicContact CB-CG1 4.17Å; F191-I232 HydrophobicContact CD1-CD1 3.97Å; F191-I232 HydrophobicContact CD1-CG1 4.16Å; F191-I232 HydrophobicContact CD2-CD1 4.36Å; F191-I232 HydrophobicContact CD2-CG1 3.89Å; F191-I232 HydrophobicContact CE2-CG1 4.29Å; F191-I232 HydrophobicContact CG-CD1 3.77Å; F191-I232 HydrophobicContact CG-CG1 3.81Å
192E97.2Very high95.1Very high58 Ų5839.5 Ų39.527%0.27123%0.226SC..EExtended strand (participates in β ladder)trans-106.4133-175.4-68.7174.4102.100110.9T163 K168 R230T163-E192 CarbonylContact O-C 3.55Å; T163-E192 WeakPolarHBondContact O-CA 3.36Å; K168-E192 HydrophobicContact CB-CG 4.06Å; K168-E192 HydrophobicContact CD-CG 3.86Å; K168-E192 HydrophobicContact CG-CG 4.01Å; E192-R230 PolarHBondContact O-NE 3Å
193Q96.5Very high95Very high12 Ų1237.4 Ų37.46%0.05620%0.204CC..  trans-67.4165.1164.172.3178.299.200111.1M162 T163 D218 G219M162-Q193 HydrophobicContact CE-CB 4.27Å; M162-Q193 HydrophobicContact CG-CB 4.08Å; M162-Q193 HydrophobicContact SD-CB 3.94Å; T163-Q193 WeakPolarHBondContact O-CG 3.43Å; T163-Q193 PolarHBondContact O-N 3.07Å; Q193-D218 PolarHBondContact NE2-OD1 3.18Å; Q193-G219 PolarHBondContact NE2-O 2.91Å
194Y94.3Very high94.9Very high42 Ų4241.4 Ų41.417%0.16522%0.218CC..  trans-87.5173.1178.2-69.9-88.1000111.3D218 R225 A226 E229 R230Y194-D218 VanDerWaalsContact O-CG 3.25Å; Y194-D218 PolarHBondContact O-N 3.08Å; Y194-R225 HydrophobicContact CD2-CB 4.47Å; Y194-R225 HydrophobicContact CD2-CG 3.92Å; Y194-R225 HydrophobicContact CE2-CG 4.03Å; Y194-A226 HydrophobicContact CD2-CB 4.41Å; Y194-A226 HydrophobicContact CE2-CB 4.37Å; Y194-E229 HydrophobicContact CE2-CB 4.04Å; Y194-E229 WeakPolarHBondContact OH-CB 3.42Å; Y194-E229 PolarHBondContact OH-OE2 2.94Å; Y194-R230 PolarHBondContact OH-NE 2.96Å
195T93.2Very high94.8Very high51 Ų5137.5 Ų37.531%0.31320%0.198SC..EExtended strand (participates in β ladder)trans-116.6154.7171.859.50000110A216T195-A216 CarbonylContact C-O 3.59Å; T195-A216 WeakPolarHBondContact CA-O 3.33Å; T195-A216 VanDerWaalsContact CB-O 3.27Å; T195-A216 WeakPolarHBondContact CB-O 3.36Å
196L92.3Very high94.8Very high17 Ų1736 Ų369%0.08919%0.186CC..EExtended strand (participates in β ladder)trans-116.1145.8167.8-70.6170.1000109.4L44 S215 A216 D218 Y364 F392L44-L196 HydrophobicContact CD2-CD2 3.8Å; L196-S215 WeakPolarHBondContact O-CA 3.39Å; L196-A216 PolarHBondContact N-O 2.93Å; L196-A216 PolarHBondContact O-N 3.45Å; L196-D218 HydrophobicContact CD1-CB 3.81Å; L196-D218 HydrophobicContact CG-CB 3.8Å; L196-Y364 HydrophobicContact CD1-CD1 4.27Å; L196-Y364 HydrophobicContact CD1-CE1 3.79Å; L196-F392 HydrophobicContact CD1-CB 4.2Å
197P93.4Very high94.8Very high12 Ų1231.2 Ų31.28%0.07816%0.16CC..EExtended strand (participates in β ladder)trans-60.1145.2170.3-22.734.3000111.9I39 L44 F199 I205 T214I39-P197 HydrophobicContact CD1-CG 3.7Å; I39-P197 HydrophobicContact CG1-CG 3.96Å; L44-P197 HydrophobicContact CD1-CG 3.87Å; P197-F199 HydrophobicContact CB-CE2 4.48Å; P197-F199 HydrophobicContact CB-CZ 4.49Å; P197-F199 WeakPolarHBondContact O-CD2 3.26Å; P197-F199 WeakPolarHBondContact O-CE2 3.25Å; P197-I205 HydrophobicContact CB-CB 4.39Å; P197-I205 HydrophobicContact CB-CD1 4.01Å; P197-I205 HydrophobicContact CB-CG1 3.85Å; P197-I205 HydrophobicContact CB-CG2 3.76Å; P197-I205 HydrophobicContact CG-CD1 4.07Å; P197-I205 HydrophobicContact CG-CG1 4.46Å; P197-T214 WeakPolarHBondContact CA-O 3.44Å
198A94.1Very high94.6Very high0 Ų034.3 Ų34.30%017%0.174CC..  trans-82.5136.6165.500000109.4L206 T214 K391A198-L206 HydrophobicContact CB-CD1 4.33Å; A198-L206 PolarHBondContact O-N 2.99Å; A198-T214 HydrophobicContact CB-CG2 3.7Å; A198-T214 PolarHBondContact N-O 2.8Å; A198-K391 HydrophobicContact CB-CG 4.41Å
199F94.1Very high94.5Very high4 Ų436.3 Ų36.32%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-105.6146.7-179.6-61.5-94.9000110.5L44 F48 P197 R204 I205 A389 I390 F392L44-F199 HydrophobicContact CB-CZ 4.03Å; L44-F199 HydrophobicContact CD1-CZ 3.91Å; L44-F199 HydrophobicContact CD2-CZ 4.09Å; L44-F199 HydrophobicContact CG-CZ 4.23Å; F48-F199 HydrophobicContact CD2-CB 4.18Å; F48-F199 HydrophobicContact CD2-CD1 4.26Å; F48-F199 HydrophobicContact CD2-CG 4.12Å; F48-F199 HydrophobicContact CE2-CB 4.07Å; P197-F199 HydrophobicContact CB-CE2 4.48Å; P197-F199 HydrophobicContact CB-CZ 4.49Å; P197-F199 WeakPolarHBondContact O-CD2 3.26Å; P197-F199 WeakPolarHBondContact O-CE2 3.25Å; F199-R204 CarbonylContact C-O 3.55Å; F199-R204 VanDerWaalsContact CA-O 3.3Å; F199-R204 WeakPolarHBondContact CA-O 3.35Å; F199-I205 HydrophobicContact CD1-CG1 3.96Å; F199-I205 HydrophobicContact CE1-CD1 4.36Å; F199-I205 HydrophobicContact CE1-CG1 3.64Å; F199-I205 HydrophobicContact CZ-CG1 4.29Å; F199-A389 CarbonylContact O-C 3.5Å; F199-A389 WeakPolarHBondContact O-CA 3.38Å; F199-I390 HydrophobicContact CB-CB 4.48Å; F199-I390 PolarHBondContact N-O 3.34Å; F199-I390 PolarHBondContact O-N 3.41Å; F199-F392 AromaticContact CD2-CD2 3.84Å; F199-F392 HydrophobicContact CD2-CD2 3.84Å; F199-F392 AromaticContact CD2-CE2 3.67Å; F199-F392 HydrophobicContact CD2-CE2 3.67Å; F199-F392 AromaticContact CE2-CD2 3.84Å; F199-F392 HydrophobicContact CE2-CD2 3.84Å; F199-F392 AromaticContact CE2-CE2 3.93Å; F199-F392 HydrophobicContact CE2-CE2 3.93Å; F199-F392 HydrophobicContact CG-CE2 4.42Å
200S93Very high94.3Very high13 Ų1338.1 Ų38.19%0.09119%0.192CC..EExtended strand (participates in β ladder)trans-64.7170159.965.80000110.4D202 G203 R204S200-D202 WeakPolarHBondContact CB-OD1 3.38Å; S200-D202 PolarHBondContact O-N 2.95Å; S200-D202 PolarHBondContact OG-OD1 3.12Å; S200-G203 PolarHBondContact O-N 3.1Å; S200-G203 PolarHBondContact OG-N 3.03Å; S200-R204 PolarHBondContact N-O 3.01Å; S200-R204 WeakPolarHBondContact OG-CB 2.92Å; S200-R204 PolarHBondContact OG-N 2.83Å; S200-R204 PolarHBondContact OG-O 2.83Å
201V89Confident94.2Very high83 Ų8336.8 Ų36.850%0.50319%0.187SC..THydrogen-bonded Turntrans-62.3-28.9179.1-177.40000112.4
202D89.2Confident94Very high104 Ų10438.9 Ų38.956%0.55620%0.196SC*.THydrogen-bonded Turntrans-87.81.7176.761.4-49.1000114.1S200 R204S200-D202 WeakPolarHBondContact CB-OD1 3.38Å; S200-D202 PolarHBondContact O-N 2.95Å; S200-D202 PolarHBondContact OG-OD1 3.12Å; D202-R204 WeakPolarHBondContact OD2-CD 3.37Å; D202-R204 IonicContact OD2-NE 3.05Å; D202-R204 PolarHBondContact OD2-NE 3Å
203G91.1Very high93.9Very high8 Ų836.4 Ų36.48%0.08219%0.185CC..SBendtrans89.615.1172.400000115.6Q14 S200Q14-G203 PolarHBondContact NE2-O 2.91Å; S200-G203 PolarHBondContact O-N 3.1Å; S200-G203 PolarHBondContact OG-N 3.03Å
204R93.4Very high93.7Very high115 Ų11536.2 Ų36.243%0.43418%0.184SC..PPolyproline II helixtrans-86.8136.1171.5-67.8-179.1-178.4-177.5-0.8110.4H16 F199 S200 D202 L206H16-R204 VanDerWaalsContact CE1-CB 3.49Å; H16-R204 WeakPolarHBondContact CE1-CB 3.44Å; F199-R204 CarbonylContact C-O 3.55Å; F199-R204 VanDerWaalsContact CA-O 3.3Å; F199-R204 WeakPolarHBondContact CA-O 3.35Å; S200-R204 PolarHBondContact N-O 3.01Å; S200-R204 WeakPolarHBondContact OG-CB 2.92Å; S200-R204 PolarHBondContact OG-N 2.83Å; S200-R204 PolarHBondContact OG-O 2.83Å; D202-R204 WeakPolarHBondContact OD2-CD 3.37Å; D202-R204 IonicContact OD2-NE 3.05Å; D202-R204 PolarHBondContact OD2-NE 3Å; R204-L206 PolarHBondContact O-N 2.98Å
205I95.1Very high93.5Very high2 Ų235.7 Ų35.71%0.0119%0.187CC..BIsolated β-bridgetrans-65.3131.1174.6-68.8170.9000109.4H16 L17 I39 F41 L44 P197 F199 L213H16-I205 PolarHBondContact NE2-O 3.19Å; L17-I205 HydrophobicContact CD1-CD1 4.43Å; L17-I205 HydrophobicContact CD2-CB 4.04Å; L17-I205 HydrophobicContact CD2-CG2 3.98Å; I39-I205 HydrophobicContact CD1-CD1 3.92Å; F41-I205 HydrophobicContact CE1-CD1 4.05Å; L44-I205 HydrophobicContact CD1-CD1 4.35Å; P197-I205 HydrophobicContact CB-CB 4.39Å; P197-I205 HydrophobicContact CB-CD1 4.01Å; P197-I205 HydrophobicContact CB-CG1 3.85Å; P197-I205 HydrophobicContact CB-CG2 3.76Å; P197-I205 HydrophobicContact CG-CD1 4.07Å; P197-I205 HydrophobicContact CG-CG1 4.46Å; F199-I205 HydrophobicContact CD1-CG1 3.96Å; F199-I205 HydrophobicContact CE1-CD1 4.36Å; F199-I205 HydrophobicContact CE1-CG1 3.64Å; F199-I205 HydrophobicContact CZ-CG1 4.29Å; I205-L213 HydrophobicContact CG2-CD1 4.38Å; I205-L213 HydrophobicContact CG2-CD2 4.22Å
206L95.5Very high93.1Very high23 Ų2333.8 Ų33.812%0.1218%0.176CC..PPolyproline II helixtrans-78.8144.4179.1-63.8177.4000111.5A198 R204 T214 C373 A389A198-L206 HydrophobicContact CB-CD1 4.33Å; A198-L206 PolarHBondContact O-N 2.99Å; R204-L206 PolarHBondContact O-N 2.98Å; L206-T214 HydrophobicContact CB-CG2 4.48Å; L206-T214 WeakPolarHBondContact O-CB 3.48Å; L206-T214 PolarHBondContact O-N 2.96Å; L206-T214 PolarHBondContact O-OG1 3.05Å; L206-C373 HydrophobicContact CB-CB 4.18Å; L206-C373 HydrophobicContact CD1-CB 4.47Å; L206-A389 HydrophobicContact CD1-CB 3.46Å; L206-A389 VanDerWaalsContact CD1-CB 3.46Å
207L96.8Very high93.1Very high4 Ų435 Ų352%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-96.8128.9172.8-70.1-178.8000110.2L17 F20 I32 K212 L213 T214 C373 I374 L376L17-L207 HydrophobicContact CD2-CD2 3.83Å; L17-L207 HydrophobicContact CD2-CG 4.37Å; F20-L207 HydrophobicContact CD2-CD1 4.31Å; F20-L207 HydrophobicContact CE2-CD1 4.43Å; I32-L207 HydrophobicContact CD1-CD2 4.4Å; L207-K212 CarbonylContact C-O 3.59Å; L207-L213 HydrophobicContact CD2-CD2 3.49Å; L207-L213 VanDerWaalsContact CD2-CD2 3.49Å; L207-T214 PolarHBondContact O-OG1 3.41Å; L207-C373 CarbonylContact O-C 3.5Å; L207-C373 WeakPolarHBondContact O-CA 3.36Å; L207-C373 VanDerWaalsContact O-CB 3.28Å; L207-C373 WeakPolarHBondContact O-CB 3.43Å; L207-I374 HydrophobicContact CB-CD1 3.87Å; L207-I374 HydrophobicContact CB-CG1 3.55Å; L207-I374 HydrophobicContact CD1-CD1 4.08Å; L207-I374 PolarHBondContact O-N 2.95Å; L207-L376 HydrophobicContact CD1-CD2 3.89Å
208Q94.3Very high93Very high87 Ų8734.9 Ų34.941%0.40718%0.184SC..EExtended strand (participates in β ladder)trans-79-39.9174.7-177.3-179.18.800110.6K212 T214Q208-K212 HydrophobicContact CB-CG 4.49Å; Q208-K212 PolarHBondContact N-O 3.19Å; Q208-T214 WeakPolarHBondContact CA-OG1 3.37Å; Q208-T214 PolarHBondContact N-OG1 3.38Å
209T95.5Very high93Very high55 Ų5535.4 Ų35.434%0.33719%0.189SC..EExtended strand (participates in β ladder)trans-138.3178.4172.670.10000108S211 K212T209-S211 PolarHBondContact O-N 2.94Å; T209-S211 VanDerWaalsContact O-N 3.13Å; T209-S211 PolarHBondContact OG1-N 3.43Å; T209-S211 PolarHBondContact OG1-OG 3.1Å; T209-K212 PolarHBondContact N-O 2.84Å; T209-K212 PolarHBondContact O-N 3.36Å; T209-K212 VanDerWaalsContact OG1-CB 3.23Å; T209-K212 WeakPolarHBondContact OG1-CB 3.46Å; T209-K212 PolarHBondContact OG1-N 2.88Å; T209-K212 VanDerWaalsContact OG1-N 3.08Å
210K96Very high93Very high68 Ų6837.1 Ų37.130%0.29620%0.198SC..THydrogen-bonded Turntrans-60.4-21.8176.4-65.2-175.4174.6-176.10113.3F20 E23 L24 I374F20-K210 HydrophobicContact CB-CB 3.87Å; F20-K210 HydrophobicContact CB-CD 4.14Å; F20-K210 HydrophobicContact CB-CG 4.1Å; F20-K210 HydrophobicContact CD1-CD 3.91Å; F20-K210 HydrophobicContact CD1-CG 4.12Å; F20-K210 HydrophobicContact CD2-CB 4.11Å; F20-K210 HydrophobicContact CD2-CG 3.89Å; F20-K210 HydrophobicContact CE2-CG 4.39Å; F20-K210 HydrophobicContact CG-CB 4.01Å; F20-K210 HydrophobicContact CG-CD 3.93Å; F20-K210 HydrophobicContact CG-CG 3.74Å; E23-K210 IonicContact OE2-NZ 3.4Å; E23-K210 PolarHBondContact OE2-NZ 3.43Å; L24-K210 HydrophobicContact CD2-CB 3.77Å; K210-I374 HydrophobicContact CB-CD1 4.47Å; K210-I374 HydrophobicContact CG-CD1 3.99Å
211S95.1Very high93.1Very high7 Ų736.5 Ų36.55%0.04919%0.194CC..THydrogen-bonded Turntrans-117.1-3.2-175.762.70000114.7E31 I32 T209E31-S211 WeakPolarHBondContact OE2-CB 3.4Å; E31-S211 PolarHBondContact OE2-OG 3.49Å; I32-S211 VanDerWaalsContact CA-O 3.23Å; I32-S211 WeakPolarHBondContact CA-O 3.29Å; I32-S211 WeakPolarHBondContact CB-O 3.47Å; I32-S211 PolarHBondContact N-O 2.83Å; T209-S211 PolarHBondContact O-N 2.94Å; T209-S211 VanDerWaalsContact O-N 3.13Å; T209-S211 PolarHBondContact OG1-N 3.43Å; T209-S211 PolarHBondContact OG1-OG 3.1Å
212K94.7Very high93.4Very high52 Ų5232.6 Ų32.623%0.22617%0.171CC..EExtended strand (participates in β ladder)trans-130.4132.2-171.7-171.8166-177.2160.70112.3L207 Q208 T209L207-K212 CarbonylContact C-O 3.59Å; Q208-K212 HydrophobicContact CB-CG 4.49Å; Q208-K212 PolarHBondContact N-O 3.19Å; T209-K212 PolarHBondContact N-O 2.84Å; T209-K212 PolarHBondContact O-N 3.36Å; T209-K212 VanDerWaalsContact OG1-CB 3.23Å; T209-K212 WeakPolarHBondContact OG1-CB 3.46Å; T209-K212 PolarHBondContact OG1-N 2.88Å; T209-K212 VanDerWaalsContact OG1-N 3.08Å
213L94.6Very high93.8Very high5 Ų527.6 Ų27.63%0.02614%0.144CC..EExtended strand (participates in β ladder)trans-73.3144.8174.2-54.8-171.3000110.2L17 D35 I36 I39 I205 L207 S215L17-L213 HydrophobicContact CD1-CD2 4.35Å; L17-L213 HydrophobicContact CD2-CD2 3.59Å; L17-L213 HydrophobicContact CG-CD2 4.48Å; D35-L213 HydrophobicContact CB-CB 4.34Å; D35-L213 HydrophobicContact CB-CD1 3.8Å; D35-L213 HydrophobicContact CB-CG 3.74Å; D35-L213 PolarHBondContact OD2-N 3.11Å; I36-L213 HydrophobicContact CG1-CD1 4.37Å; I39-L213 HydrophobicContact CD1-CD1 3.31Å; I205-L213 HydrophobicContact CG2-CD1 4.38Å; I205-L213 HydrophobicContact CG2-CD2 4.22Å; L207-L213 HydrophobicContact CD2-CD2 3.49Å; L207-L213 VanDerWaalsContact CD2-CD2 3.49Å; L213-S215 PolarHBondContact O-N 2.91Å
214T92.2Very high94.1Very high8 Ų827.3 Ų27.35%0.04914%0.14CC..  trans-75.9111.2167.1-60.50000108.8P197 A198 L206 L207 Q208 V371P197-T214 WeakPolarHBondContact CA-O 3.44Å; A198-T214 HydrophobicContact CB-CG2 3.7Å; A198-T214 PolarHBondContact N-O 2.8Å; L206-T214 HydrophobicContact CB-CG2 4.48Å; L206-T214 WeakPolarHBondContact O-CB 3.48Å; L206-T214 PolarHBondContact O-N 2.96Å; L206-T214 PolarHBondContact O-OG1 3.05Å; L207-T214 PolarHBondContact O-OG1 3.41Å; Q208-T214 WeakPolarHBondContact CA-OG1 3.37Å; Q208-T214 PolarHBondContact N-OG1 3.38Å; T214-V371 HydrophobicContact CG2-CG1 3.29Å
215S90.1Very high94.2Very high32 Ų3225.8 Ų25.822%0.22414%0.135CC..EExtended strand (participates in β ladder)trans-117160.2176.670.10000111.5L196 L213L196-S215 WeakPolarHBondContact O-CA 3.39Å; L213-S215 PolarHBondContact O-N 2.91Å
216A86.6Confident94.3Very high10 Ų1025.7 Ų25.78%0.08313%0.134CC..EExtended strand (participates in β ladder)trans-142.3154.2172.400000109.7T195 L196 D218 K391T195-A216 CarbonylContact C-O 3.59Å; T195-A216 WeakPolarHBondContact CA-O 3.33Å; T195-A216 VanDerWaalsContact CB-O 3.27Å; T195-A216 WeakPolarHBondContact CB-O 3.36Å; L196-A216 PolarHBondContact N-O 2.93Å; L196-A216 PolarHBondContact O-N 3.45Å; A216-D218 PolarHBondContact O-N 3.25Å; A216-K391 HydrophobicContact CB-CD 3.72Å
217P90.8Very high94.5Very high44 Ų4424.6 Ų24.629%0.28613%0.128SC..EExtended strand (participates in β ladder)trans-51.8138.3171.3-24.833.9000110.9G219P217-G219 PolarHBondContact O-N 3.03Å
218D92.4Very high94.5Very high9 Ų927.6 Ų27.65%0.04814%0.141CC..  trans-7624.5-176.863.8-15.5000114.5Q193 Y194 L196 A216 G222 K394Q193-D218 PolarHBondContact NE2-OD1 3.18Å; Y194-D218 VanDerWaalsContact O-CG 3.25Å; Y194-D218 PolarHBondContact O-N 3.08Å; L196-D218 HydrophobicContact CD1-CB 3.81Å; L196-D218 HydrophobicContact CG-CB 3.8Å; A216-D218 PolarHBondContact O-N 3.25Å; D218-G222 VanDerWaalsContact CG-CA 3.47Å; D218-G222 WeakPolarHBondContact OD1-CA 3.37Å; D218-G222 VanDerWaalsContact OD2-CA 3.29Å; D218-G222 WeakPolarHBondContact OD2-CA 3.45Å; D218-K394 PolarHBondContact O-N 3.35Å
219G93Very high94.6Very high10 Ų1027.9 Ų27.910%0.10314%0.143CC..  trans78.8173.5-174.800000113.4Q193 P217 G221 G222 K394Q193-G219 PolarHBondContact NE2-O 2.91Å; P217-G219 PolarHBondContact O-N 3.03Å; G219-G221 PolarHBondContact O-N 2.97Å; G219-G222 PolarHBondContact O-N 3.21Å; G219-K394 CarbonylContact C-O 3Å; G219-K394 WeakPolarHBondContact CA-O 3.47Å
220N95Very high94.7Very high40 Ų4030.5 Ų30.521%0.21415%0.146CC..G310 helixtrans-73-16.3178.465.78.3000112.9L105 G222 L223 K394 F395 A396L105-N220 HydrophobicContact CD1-CB 4.08Å; N220-G222 VanDerWaalsContact C-N 3.29Å; N220-L223 WeakPolarHBondContact O-CB 3.47Å; N220-L223 PolarHBondContact O-N 2.81Å; N220-K394 PolarHBondContact N-O 2.89Å; N220-F395 WeakPolarHBondContact OD1-CA 3.28Å; N220-A396 PolarHBondContact OD1-N 3.25Å
221G95.5Very high94.8Very high0 Ų028.6 Ų28.60%015%0.146CC..G310 helixtrans-77.3-9.5170.300000114.2G219 L223 Y224 K394 F395G219-G221 PolarHBondContact O-N 2.97Å; G221-L223 PolarHBondContact O-N 3.49Å; G221-L223 VanDerWaalsContact O-N 3.09Å; G221-Y224 VanDerWaalsContact O-CD2 3.31Å; G221-Y224 WeakPolarHBondContact O-CD2 3.24Å; G221-Y224 PolarHBondContact O-N 3.38Å; G221-K394 WeakPolarHBondContact CA-O 3.29Å; G221-K394 PolarHBondContact N-O 3Å; G221-F395 VanDerWaalsContact CA-C 3.41Å
222G94.7Very high95Very high1 Ų128.6 Ų28.61%0.0115%0.145CC..G310 helixtrans-57.7-14.9163.300000113.6D218 G219 N220 Y224 R225 A226D218-G222 VanDerWaalsContact CG-CA 3.47Å; D218-G222 WeakPolarHBondContact OD1-CA 3.37Å; D218-G222 VanDerWaalsContact OD2-CA 3.29Å; D218-G222 WeakPolarHBondContact OD2-CA 3.45Å; G219-G222 PolarHBondContact O-N 3.21Å; N220-G222 VanDerWaalsContact C-N 3.29Å; G222-Y224 VanDerWaalsContact C-N 3.29Å; G222-Y224 PolarHBondContact O-N 3.2Å; G222-R225 PolarHBondContact O-N 3.34Å; G222-A226 PolarHBondContact O-N 3.09Å; G222-A226 VanDerWaalsContact O-N 3.1Å
223L97.9Very high95.2Very high0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-40.4-53.2168.7173.363.5000113.4L103 L105 M162 F191 N220 G221 R225 A226 L227 I246L103-L223 HydrophobicContact CD1-CD1 3.69Å; L103-L223 HydrophobicContact CD2-CD1 3.51Å; L103-L223 HydrophobicContact CD2-CD2 4.11Å; L103-L223 HydrophobicContact CD2-CG 4.47Å; L103-L223 HydrophobicContact CG-CD1 4.24Å; L105-L223 HydrophobicContact CD2-CB 4.46Å; L105-L223 HydrophobicContact CD2-CD1 4.42Å; L105-L223 HydrophobicContact CD2-CD2 4.2Å; M162-L223 HydrophobicContact CE-CB 4.31Å; M162-L223 WeakPolarHBondContact SD-CA 3.32Å; M162-L223 HydrophobicContact SD-CB 3.75Å; M162-L223 HydrophobicContact SD-CD1 3.71Å; M162-L223 HydrophobicContact SD-CG 4.38Å; F191-L223 HydrophobicContact CE2-CD1 4.19Å; F191-L223 HydrophobicContact CZ-CD1 3.94Å; N220-L223 WeakPolarHBondContact O-CB 3.47Å; N220-L223 PolarHBondContact O-N 2.81Å; G221-L223 PolarHBondContact O-N 3.49Å; G221-L223 VanDerWaalsContact O-N 3.09Å; L223-R225 PolarHBondContact O-N 3.26Å; L223-A226 CarbonylContact O-C 3.55Å; L223-A226 WeakPolarHBondContact O-CB 3.28Å; L223-A226 PolarHBondContact O-N 3.49Å; L223-A226 VanDerWaalsContact O-N 3.12Å; L223-L227 HydrophobicContact CD1-CD1 3.97Å; L223-L227 HydrophobicContact CD1-CD2 4.1Å; L223-L227 HydrophobicContact CD1-CG 3.74Å; L223-L227 HydrophobicContact CD2-CD1 4.44Å; L223-L227 HydrophobicContact CG-CD1 3.9Å; L223-L227 HydrophobicContact CG-CG 4.1Å; L223-L227 VanDerWaalsContact O-CG 3.31Å; L223-L227 WeakPolarHBondContact O-CG 3.38Å; L223-L227 PolarHBondContact O-N 3.14Å; L223-I246 HydrophobicContact CD2-CD1 3.8Å; L223-I246 HydrophobicContact CD2-CG1 4.3Å; L223-I246 HydrophobicContact CD2-CG2 4.1Å
224Y97.9Very high95.4Very high1 Ų131.9 Ų31.90%0.00417%0.166CC..Hα-helixtrans-67.8-39.3-168.3-59.5-68000112.7G221 G222 L227 K228 L350 V353 C354 M362 A396 V399G221-Y224 VanDerWaalsContact O-CD2 3.31Å; G221-Y224 WeakPolarHBondContact O-CD2 3.24Å; G221-Y224 PolarHBondContact O-N 3.38Å; G222-Y224 VanDerWaalsContact C-N 3.29Å; G222-Y224 PolarHBondContact O-N 3.2Å; Y224-L227 HydrophobicContact CD1-CD1 4.32Å; Y224-L227 PolarHBondContact O-N 3.29Å; Y224-K228 PolarHBondContact O-N 3.2Å; Y224-L350 HydrophobicContact CD1-CD2 4.22Å; Y224-L350 HydrophobicContact CE1-CD2 3.78Å; Y224-V353 HydrophobicContact CD1-CG2 3.8Å; Y224-V353 HydrophobicContact CE1-CG2 4.06Å; Y224-C354 PolarHBondContact O-SG 2.83Å; Y224-M362 HydrophobicContact CD2-CE 3.7Å; Y224-M362 HydrophobicContact CD2-SD 4.09Å; Y224-M362 HydrophobicContact CE2-CE 3.93Å; Y224-A396 PolarHBondContact OH-O 3.35Å; Y224-V399 HydrophobicContact CD1-CG1 4.11Å; Y224-V399 HydrophobicContact CD2-CG1 3.67Å; Y224-V399 HydrophobicContact CE1-CG1 3.76Å; Y224-V399 HydrophobicContact CE1-CG2 4.19Å; Y224-V399 HydrophobicContact CE2-CB 4.36Å; Y224-V399 HydrophobicContact CE2-CG1 3.27Å; Y224-V399 HydrophobicContact CE2-CG2 4.25Å; Y224-V399 HydrophobicContact CG-CG1 4.08Å; Y224-V399 WeakPolarHBondContact OH-CG2 3.46Å
225R95Very high95.7Very high83 Ų8333 Ų3331%0.31317%0.171SC..Hα-helixtrans-62.1-47.3171.2-176.6-176.9176-163.9-10110.7Y194 G222 L223 L227 K228 E229Y194-R225 HydrophobicContact CD2-CB 4.47Å; Y194-R225 HydrophobicContact CD2-CG 3.92Å; Y194-R225 HydrophobicContact CE2-CG 4.03Å; G222-R225 PolarHBondContact O-N 3.34Å; L223-R225 PolarHBondContact O-N 3.26Å; R225-L227 VanDerWaalsContact C-N 3.32Å; R225-L227 PolarHBondContact O-N 3.2Å; R225-K228 PolarHBondContact O-N 3.44Å; R225-E229 HydrophobicContact CG-CG 4.3Å; R225-E229 VanDerWaalsContact CG-OE1 3.3Å; R225-E229 WeakPolarHBondContact CG-OE1 3.4Å; R225-E229 IonicContact CZ-OE1 2.73Å; R225-E229 IonicContact CZ-OE2 3.53Å; R225-E229 VanDerWaalsContact NE-CD 3.3Å; R225-E229 IonicContact NE-OE1 3.16Å; R225-E229 PolarHBondContact NE-OE1 3.29Å; R225-E229 IonicContact NE-OE2 3.58Å; R225-E229 PolarHBondContact NE-OE2 3.41Å; R225-E229 IonicContact NH2-OE1 3.13Å; R225-E229 IonicContact NH2-OE2 2.73Å; R225-E229 PolarHBondContact NH2-OE2 2.7Å; R225-E229 PolarHBondContact O-N 2.84Å
226A97.2Very high96.1Very high0 Ų031.5 Ų31.50%016%0.161CC..Hα-helixtrans-60.6-39.6178.700000112.5F191 Y194 G222 L223 K228 R230F191-A226 HydrophobicContact CD2-CB 3.99Å; F191-A226 HydrophobicContact CE2-CB 3.91Å; Y194-A226 HydrophobicContact CD2-CB 4.41Å; Y194-A226 HydrophobicContact CE2-CB 4.37Å; G222-A226 PolarHBondContact O-N 3.09Å; G222-A226 VanDerWaalsContact O-N 3.1Å; L223-A226 CarbonylContact O-C 3.55Å; L223-A226 WeakPolarHBondContact O-CB 3.28Å; L223-A226 PolarHBondContact O-N 3.49Å; L223-A226 VanDerWaalsContact O-N 3.12Å; A226-K228 VanDerWaalsContact C-N 3.3Å; A226-K228 PolarHBondContact O-N 3.24Å; A226-R230 HydrophobicContact CB-CG 4.39Å; A226-R230 WeakPolarHBondContact O-CB 3.33Å; A226-R230 VanDerWaalsContact O-CG 3.26Å; A226-R230 WeakPolarHBondContact O-CG 3.4Å; A226-R230 PolarHBondContact O-N 3.13Å
227L98.6Very high96.7Very high0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-57.8-42.5177.9-77.6178000112.4L103 F191 L223 Y224 R225 I232 L233 M236 L350L103-L227 HydrophobicContact CD1-CD2 3.75Å; F191-L227 HydrophobicContact CE2-CD2 4.46Å; F191-L227 HydrophobicContact CZ-CD2 4.29Å; L223-L227 HydrophobicContact CD1-CD1 3.97Å; L223-L227 HydrophobicContact CD1-CD2 4.1Å; L223-L227 HydrophobicContact CD1-CG 3.74Å; L223-L227 HydrophobicContact CD2-CD1 4.44Å; L223-L227 HydrophobicContact CG-CD1 3.9Å; L223-L227 HydrophobicContact CG-CG 4.1Å; L223-L227 VanDerWaalsContact O-CG 3.31Å; L223-L227 WeakPolarHBondContact O-CG 3.38Å; L223-L227 PolarHBondContact O-N 3.14Å; Y224-L227 HydrophobicContact CD1-CD1 4.32Å; Y224-L227 PolarHBondContact O-N 3.29Å; R225-L227 VanDerWaalsContact C-N 3.32Å; R225-L227 PolarHBondContact O-N 3.2Å; L227-I232 HydrophobicContact CD2-CB 3.72Å; L227-I232 HydrophobicContact CD2-CG1 4.41Å; L227-I232 HydrophobicContact CD2-CG2 3.45Å; L227-I232 VanDerWaalsContact CD2-CG2 3.45Å; L227-I232 PolarHBondContact O-N 3.03Å; L227-L233 HydrophobicContact CB-CD2 4.22Å; L227-L233 HydrophobicContact CB-CG 4.05Å; L227-L233 HydrophobicContact CD1-CD2 4.49Å; L227-L233 PolarHBondContact O-N 3.04Å; L227-M236 HydrophobicContact CD2-CE 4.05Å; L227-L350 HydrophobicContact CD1-CD1 4.16Å; L227-L350 HydrophobicContact CD1-CD2 4.09Å
228K97.6Very high97Very high67 Ų6742.2 Ų42.229%0.29121%0.207SC..Hα-helixtrans-76.9-57.8178.4176.5177169.4-172.90111.6Y224 R225 A226 R230 G231 L233 C354 D356Y224-K228 PolarHBondContact O-N 3.2Å; R225-K228 PolarHBondContact O-N 3.44Å; A226-K228 VanDerWaalsContact C-N 3.3Å; A226-K228 PolarHBondContact O-N 3.24Å; K228-R230 VanDerWaalsContact C-N 3.31Å; K228-R230 PolarHBondContact O-N 3.19Å; K228-G231 PolarHBondContact O-N 3.07Å; K228-L233 HydrophobicContact CB-CD1 4.26Å; K228-C354 HydrophobicContact CB-CB 4.08Å; K228-C354 WeakPolarHBondContact CD-O 3.41Å; K228-D356 IonicContact NZ-OD1 3.87Å; K228-D356 PolarHBondContact NZ-OD1 3.04Å; K228-D356 IonicContact NZ-OD2 3.9Å; K228-D356 PolarHBondContact NZ-OD2 3.49Å; K228-D356 VanDerWaalsContact NZ-OD2 3.13Å
229E96.3Very high97.3Very high94 Ų9445.8 Ų45.844%0.43922%0.22SC..Hα-helixtrans-73.1-21.3-170-67.4-178.2-156.900113.6Y194 R225Y194-E229 HydrophobicContact CE2-CB 4.04Å; Y194-E229 WeakPolarHBondContact OH-CB 3.42Å; Y194-E229 PolarHBondContact OH-OE2 2.94Å; R225-E229 HydrophobicContact CG-CG 4.3Å; R225-E229 VanDerWaalsContact CG-OE1 3.3Å; R225-E229 WeakPolarHBondContact CG-OE1 3.4Å; R225-E229 IonicContact CZ-OE1 2.73Å; R225-E229 IonicContact CZ-OE2 3.53Å; R225-E229 VanDerWaalsContact NE-CD 3.3Å; R225-E229 IonicContact NE-OE1 3.16Å; R225-E229 PolarHBondContact NE-OE1 3.29Å; R225-E229 IonicContact NE-OE2 3.58Å; R225-E229 PolarHBondContact NE-OE2 3.41Å; R225-E229 IonicContact NH2-OE1 3.13Å; R225-E229 IonicContact NH2-OE2 2.73Å; R225-E229 PolarHBondContact NH2-OE2 2.7Å; R225-E229 PolarHBondContact O-N 2.84Å
230R97.4Very high97.5Very high110 Ų11047.1 Ų47.142%0.41523%0.234SC..THydrogen-bonded Turntrans-94.67.8174.7-52.1-62.8-164.8170.42.4113.4F191 E192 Y194 A226 K228 I232F191-R230 HydrophobicContact CB-CB 4.43Å; E192-R230 PolarHBondContact O-NE 3Å; Y194-R230 PolarHBondContact OH-NE 2.96Å; A226-R230 HydrophobicContact CB-CG 4.39Å; A226-R230 WeakPolarHBondContact O-CB 3.33Å; A226-R230 VanDerWaalsContact O-CG 3.26Å; A226-R230 WeakPolarHBondContact O-CG 3.4Å; A226-R230 PolarHBondContact O-N 3.13Å; K228-R230 VanDerWaalsContact C-N 3.31Å; K228-R230 PolarHBondContact O-N 3.19Å; R230-I232 VanDerWaalsContact C-N 3.3Å; R230-I232 HydrophobicContact CB-CG1 4.15Å; R230-I232 PolarHBondContact O-N 2.95Å
231G98.3Very high97.7Very high28 Ų2845.2 Ų45.229%0.28922%0.224SC..THydrogen-bonded Turntrans71.517.6176.800000115.1K228 D234 D235K228-G231 PolarHBondContact O-N 3.07Å; G231-D234 PolarHBondContact O-N 2.99Å; G231-D235 PolarHBondContact O-N 3.3Å
232I98.7Very high97.9Very high6 Ų648.6 Ų48.63%0.03124%0.239CC..Hα-helixtrans-72.1-36.9-177.2-52.9-59.1000111.5Y160 V189 F191 L227 R230 D234 D235 M236Y160-I232 HydrophobicContact CD1-CG2 3.53Å; Y160-I232 HydrophobicContact CE1-CG2 3.68Å; Y160-I232 HydrophobicContact CG-CG2 4.11Å; V189-I232 HydrophobicContact CG1-CD1 3.95Å; F191-I232 HydrophobicContact CB-CD1 3.73Å; F191-I232 HydrophobicContact CB-CG1 4.17Å; F191-I232 HydrophobicContact CD1-CD1 3.97Å; F191-I232 HydrophobicContact CD1-CG1 4.16Å; F191-I232 HydrophobicContact CD2-CD1 4.36Å; F191-I232 HydrophobicContact CD2-CG1 3.89Å; F191-I232 HydrophobicContact CE2-CG1 4.29Å; F191-I232 HydrophobicContact CG-CD1 3.77Å; F191-I232 HydrophobicContact CG-CG1 3.81Å; L227-I232 HydrophobicContact CD2-CB 3.72Å; L227-I232 HydrophobicContact CD2-CG1 4.41Å; L227-I232 HydrophobicContact CD2-CG2 3.45Å; L227-I232 VanDerWaalsContact CD2-CG2 3.45Å; L227-I232 PolarHBondContact O-N 3.03Å; R230-I232 VanDerWaalsContact C-N 3.3Å; R230-I232 HydrophobicContact CB-CG1 4.15Å; R230-I232 PolarHBondContact O-N 2.95Å; I232-D234 VanDerWaalsContact C-N 3.27Å; I232-D234 PolarHBondContact O-N 3.07Å; I232-D235 PolarHBondContact O-N 2.97Å; I232-M236 HydrophobicContact CG2-CE 3.9Å; I232-M236 VanDerWaalsContact O-CG 3.28Å; I232-M236 WeakPolarHBondContact O-CG 3.44Å; I232-M236 PolarHBondContact O-N 3.21Å
233L98.7Very high98.1Very high14 Ų1450.3 Ų50.37%0.07325%0.246CC..Hα-helixtrans-62.1-37.6173.8-65.4176000112L227 K228 M236 K237 L350 E351 C354L227-L233 HydrophobicContact CB-CD2 4.22Å; L227-L233 HydrophobicContact CB-CG 4.05Å; L227-L233 HydrophobicContact CD1-CD2 4.49Å; L227-L233 PolarHBondContact O-N 3.04Å; K228-L233 HydrophobicContact CB-CD1 4.26Å; L233-M236 HydrophobicContact CD2-SD 4.25Å; L233-M236 PolarHBondContact O-N 3.16Å; L233-K237 WeakPolarHBondContact O-CB 3.36Å; L233-K237 PolarHBondContact O-N 3.44Å; L233-L350 HydrophobicContact CD2-CB 3.73Å; L233-E351 HydrophobicContact CD1-CG 4.42Å; L233-E351 HydrophobicContact CD2-CG 4.48Å; L233-C354 HydrophobicContact CD1-CB 3.85Å
234D98.7Very high98.1Very high113 Ų11350.3 Ų50.360%0.60425%0.246SC*.Hα-helixtrans-69.3-41.7177.2-67.8-36.2000111.4G231 I232 K237 L238G231-D234 PolarHBondContact O-N 2.99Å; I232-D234 VanDerWaalsContact C-N 3.27Å; I232-D234 PolarHBondContact O-N 3.07Å; D234-K237 PolarHBondContact O-N 3.35Å; D234-L238 WeakPolarHBondContact O-CB 3.46Å; D234-L238 PolarHBondContact O-N 3.31Å
235D98.8Very high98.2Very high32 Ų3250.3 Ų50.317%0.17125%0.246CC..Hα-helixtrans-61.8-44.4173177.586.4000111.7Y160 G231 I232 K237 L238 R239Y160-D235 WeakPolarHBondContact CE1-OD2 3.28Å; Y160-D235 VanDerWaalsContact CZ-OD2 3.25Å; Y160-D235 PolarHBondContact OH-OD2 3.32Å; G231-D235 PolarHBondContact O-N 3.3Å; I232-D235 PolarHBondContact O-N 2.97Å; D235-K237 VanDerWaalsContact C-N 3.29Å; D235-K237 PolarHBondContact O-N 3.41Å; D235-L238 PolarHBondContact O-N 3.14Å; D235-R239 VanDerWaalsContact CG-NE 3.3Å; D235-R239 WeakPolarHBondContact O-CG 3.35Å; D235-R239 PolarHBondContact O-N 2.98Å; D235-R239 IonicContact OD1-CZ 2.74Å; D235-R239 IonicContact OD1-NE 3.33Å; D235-R239 PolarHBondContact OD1-NE 3.23Å; D235-R239 IonicContact OD1-NH2 3.44Å; D235-R239 PolarHBondContact OD1-NH2 3.38Å; D235-R239 WeakPolarHBondContact OD2-CD 3.42Å; D235-R239 IonicContact OD2-CZ 2.77Å; D235-R239 IonicContact OD2-NE 3.49Å; D235-R239 PolarHBondContact OD2-NE 2.9Å
236M98.8Very high98.4Very high0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-56.4-45174.2-73.9174.917700111.3L103 Y160 L227 I232 L233 R239 G240 I241 V244 R347 L350L103-M236 HydrophobicContact CD1-CE 4.18Å; Y160-M236 HydrophobicContact CD2-CE 3.67Å; Y160-M236 HydrophobicContact CE1-CG 4.47Å; Y160-M236 HydrophobicContact CE2-CE 3.65Å; Y160-M236 HydrophobicContact CE2-CG 3.62Å; Y160-M236 HydrophobicContact CG-CE 4.26Å; Y160-M236 WeakPolarHBondContact OH-CA 3.31Å; Y160-M236 WeakPolarHBondContact OH-CG 3.4Å; Y160-M236 PolarHBondContact OH-N 3.48Å; L227-M236 HydrophobicContact CD2-CE 4.05Å; I232-M236 HydrophobicContact CG2-CE 3.9Å; I232-M236 VanDerWaalsContact O-CG 3.28Å; I232-M236 WeakPolarHBondContact O-CG 3.44Å; I232-M236 PolarHBondContact O-N 3.21Å; L233-M236 HydrophobicContact CD2-SD 4.25Å; L233-M236 PolarHBondContact O-N 3.16Å; M236-R239 PolarHBondContact O-N 2.71Å; M236-G240 PolarHBondContact O-N 3.12Å; M236-I241 HydrophobicContact CB-CB 4.04Å; M236-I241 HydrophobicContact CB-CG2 4.43Å; M236-I241 HydrophobicContact CG-CB 4.39Å; M236-I241 HydrophobicContact CG-CG2 4.38Å; M236-I241 WeakPolarHBondContact O-CB 3.31Å; M236-I241 PolarHBondContact O-N 3.4Å; M236-V244 HydrophobicContact CE-CG1 4.16Å; M236-V244 HydrophobicContact CE-CG2 3.81Å; M236-V244 HydrophobicContact SD-CG2 3.96Å; M236-R347 HydrophobicContact CB-CG 4.39Å; M236-L350 HydrophobicContact CE-CD1 4.39Å; M236-L350 HydrophobicContact SD-CD1 4.23Å
237K98.6Very high98.5Very high129 Ų12946.3 Ų46.356%0.56123%0.231SC*.Hα-helixtrans-64.9-43.8178.4-176.2178.4177.7-1790111.9L233 D234 D235 R239 G240L233-K237 WeakPolarHBondContact O-CB 3.36Å; L233-K237 PolarHBondContact O-N 3.44Å; D234-K237 PolarHBondContact O-N 3.35Å; D235-K237 VanDerWaalsContact C-N 3.29Å; D235-K237 PolarHBondContact O-N 3.41Å; K237-R239 VanDerWaalsContact C-N 3.28Å; K237-R239 PolarHBondContact O-N 2.83Å; K237-G240 PolarHBondContact O-N 2.64Å
238L98.4Very high98.4Very high150 Ų15047.4 Ų47.479%0.78524%0.238SC*.Hα-helixtrans-60.6-38.1178.1-179.964000112D234 D235 G240D234-L238 WeakPolarHBondContact O-CB 3.46Å; D234-L238 PolarHBondContact O-N 3.31Å; D235-L238 PolarHBondContact O-N 3.14Å; L238-G240 VanDerWaalsContact C-N 3.32Å
239R98.1Very high98.3Very high83 Ų8344.6 Ų44.631%0.31323%0.227SC..Hα-helixtrans-80.6-8.8179.2-67.1176.7-172.4-101.7-0114.2D186 N187 D235 M236 K237 I241D186-R239 PolarHBondContact O-NH1 3.38Å; D186-R239 PolarHBondContact O-NH2 2.75Å; N187-R239 PolarHBondContact OD1-NH1 2.83Å; D235-R239 VanDerWaalsContact CG-NE 3.3Å; D235-R239 WeakPolarHBondContact O-CG 3.35Å; D235-R239 PolarHBondContact O-N 2.98Å; D235-R239 IonicContact OD1-CZ 2.74Å; D235-R239 IonicContact OD1-NE 3.33Å; D235-R239 PolarHBondContact OD1-NE 3.23Å; D235-R239 IonicContact OD1-NH2 3.44Å; D235-R239 PolarHBondContact OD1-NH2 3.38Å; D235-R239 WeakPolarHBondContact OD2-CD 3.42Å; D235-R239 IonicContact OD2-CZ 2.77Å; D235-R239 IonicContact OD2-NE 3.49Å; D235-R239 PolarHBondContact OD2-NE 2.9Å; M236-R239 PolarHBondContact O-N 2.71Å; K237-R239 VanDerWaalsContact C-N 3.28Å; K237-R239 PolarHBondContact O-N 2.83Å; R239-I241 HydrophobicContact CB-CG1 4.07Å
240G98.4Very high98.2Very high38 Ų3841.6 Ų41.639%0.39221%0.214SC..THydrogen-bonded Turntrans76.520.3-175.500000114.2M236 K237 L238 E242M236-G240 PolarHBondContact O-N 3.12Å; K237-G240 PolarHBondContact O-N 2.64Å; L238-G240 VanDerWaalsContact C-N 3.32Å; G240-E242 PolarHBondContact O-N 2.84Å
241I98.9Very high98.2Very high1 Ų136.6 Ų36.61%0.00520%0.195CC..  trans-65.1130.3175.1-60.2-61.3000109.4A101 M236 R239 V244 R347A101-I241 HydrophobicContact CB-CD1 3.86Å; A101-I241 HydrophobicContact CB-CG1 4.15Å; A101-I241 HydrophobicContact CB-CG2 3.79Å; M236-I241 HydrophobicContact CB-CB 4.04Å; M236-I241 HydrophobicContact CB-CG2 4.43Å; M236-I241 HydrophobicContact CG-CB 4.39Å; M236-I241 HydrophobicContact CG-CG2 4.38Å; M236-I241 WeakPolarHBondContact O-CB 3.31Å; M236-I241 PolarHBondContact O-N 3.4Å; R239-I241 HydrophobicContact CB-CG1 4.07Å; I241-V244 HydrophobicContact CG2-CG2 3.9Å; I241-R347 WeakPolarHBondContact O-CD 3.49Å; I241-R347 PolarHBondContact O-NE 3.45Å
242E98.8Very high98.2Very high70 Ų7035.3 Ų35.333%0.32718%0.181SC..  trans-113.9-31.2176.1-66.3-176.3-156.300112.1K99 G240 T346 R347K99-E242 HydrophobicContact CB-CB 4.25Å; K99-E242 HydrophobicContact CB-CG 4.46Å; K99-E242 HydrophobicContact CD-CG 4.39Å; K99-E242 WeakPolarHBondContact CE-OE1 3.41Å; K99-E242 HydrophobicContact CG-CG 4.26Å; K99-E242 IonicContact NZ-OE1 2.83Å; K99-E242 PolarHBondContact O-N 2.89Å; G240-E242 PolarHBondContact O-N 2.84Å; E242-T346 CarbonylContact O-C 3.46Å; E242-T346 VanDerWaalsContact O-CA 3.27Å; E242-T346 WeakPolarHBondContact O-CA 3.26Å; E242-R347 PolarHBondContact O-N 3.35Å
243Y98.9Very high98.2Very high38 Ų3835 Ų3515%0.14918%0.18CC..EExtended strand (participates in β ladder)trans-126.3134.6-173.3-47-54.3000110.8A94 K99 V100 A101 V266 F344 T346A94-Y243 HydrophobicContact CB-CD2 4.05Å; A94-Y243 HydrophobicContact CB-CE2 4.01Å; K99-Y243 HydrophobicContact CB-CD2 4.19Å; K99-Y243 HydrophobicContact CB-CE2 4.28Å; K99-Y243 PolarHBondContact O-N 2.78Å; V100-Y243 WeakPolarHBondContact CA-O 3.46Å; V100-Y243 HydrophobicContact CG2-CD2 4.15Å; A101-Y243 PolarHBondContact N-O 3.22Å; Y243-V266 HydrophobicContact CD1-CG2 4.2Å; Y243-V266 HydrophobicContact CD2-CG2 3.93Å; Y243-V266 HydrophobicContact CE1-CG2 3.87Å; Y243-V266 HydrophobicContact CE2-CG2 3.56Å; Y243-V266 HydrophobicContact CG-CG2 4.23Å; Y243-F344 AromaticContact CD1-CE2 3.92Å; Y243-F344 HydrophobicContact CD1-CE2 3.92Å; Y243-F344 AromaticContact CD1-CZ 3.46Å; Y243-F344 HydrophobicContact CD1-CZ 3.46Å; Y243-F344 VanDerWaalsContact CD1-CZ 3.46Å; Y243-F344 HydrophobicContact CE1-CZ 4.21Å; Y243-F344 AromaticContact CG-CE2 3.95Å; Y243-F344 HydrophobicContact CG-CE2 3.95Å; Y243-F344 AromaticContact CG-CZ 3.99Å; Y243-F344 HydrophobicContact CG-CZ 3.99Å; Y243-T346 HydrophobicContact CD1-CG2 4.33Å; Y243-T346 HydrophobicContact CE1-CG2 4.49Å
244V98.9Very high98.2Very high0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-129121.6-179.3-173.40000109.3A101 L103 M236 I241 I246 T345 L350A101-V244 WeakPolarHBondContact O-CA 3.25Å; L103-V244 HydrophobicContact CB-CG1 3.74Å; L103-V244 HydrophobicContact CD1-CG1 4.41Å; M236-V244 HydrophobicContact CE-CG1 4.16Å; M236-V244 HydrophobicContact CE-CG2 3.81Å; M236-V244 HydrophobicContact SD-CG2 3.96Å; I241-V244 HydrophobicContact CG2-CG2 3.9Å; V244-I246 HydrophobicContact CG1-CG1 4.19Å; V244-T345 PolarHBondContact N-O 2.88Å; V244-T345 PolarHBondContact O-N 2.86Å; V244-T345 PolarHBondContact O-OG1 3.28Å; V244-L350 HydrophobicContact CB-CD1 4.16Å; V244-L350 HydrophobicContact CG2-CD1 3.92Å
245Q98.9Very high98.2Very high0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-92.4112.6167.4-177.3-180-17.700109.8A101 V102 L103 K255 V342 H343A101-Q245 PolarHBondContact O-N 3Å; V102-Q245 CarbonylContact C-O 3.43Å; V102-Q245 WeakPolarHBondContact CA-O 3.36Å; L103-Q245 PolarHBondContact N-O 2.92Å; Q245-K255 PolarHBondContact NE2-O 3.19Å; Q245-V342 HydrophobicContact CG-CG1 4.18Å; Q245-H343 CarbonylContact C-O 3.56Å; Q245-H343 VanDerWaalsContact CA-O 3.29Å; Q245-H343 WeakPolarHBondContact CA-O 3.3Å
246I98.9Very high98.1Very high0 Ų027.9 Ų27.90%014%0.142CC..EExtended strand (participates in β ladder)trans-91.2134.6176-59162.1000108.5L103 L105 L223 V244 V342 H343 T345 L350L103-I246 HydrophobicContact CB-CG1 4.09Å; L103-I246 HydrophobicContact CD2-CG1 4.44Å; L103-I246 HydrophobicContact CD2-CG2 4.15Å; L103-I246 CarbonylContact O-C 3.55Å; L103-I246 WeakPolarHBondContact O-CA 3.16Å; L105-I246 HydrophobicContact CD1-CG2 3.79Å; L105-I246 HydrophobicContact CD2-CG2 4.15Å; L105-I246 HydrophobicContact CG-CG2 3.97Å; L223-I246 HydrophobicContact CD2-CD1 3.8Å; L223-I246 HydrophobicContact CD2-CG1 4.3Å; L223-I246 HydrophobicContact CD2-CG2 4.1Å; V244-I246 HydrophobicContact CG1-CG1 4.19Å; I246-V342 CarbonylContact O-C 3.51Å; I246-V342 WeakPolarHBondContact O-CA 3.45Å; I246-H343 HydrophobicContact CB-CB 4.37Å; I246-H343 PolarHBondContact N-O 2.85Å; I246-H343 PolarHBondContact O-N 2.9Å; I246-T345 HydrophobicContact CD1-CG2 3.95Å; I246-L350 HydrophobicContact CD1-CD2 4.38Å
247Y98.7Very high98.1Very high0 Ų027.9 Ų27.90%014%0.142CC..EExtended strand (participates in β ladder)trans-151.7159.5179.671.9-73.4000113.5V102 L103 L104 L105 Q136 W159 V254 V256 C341V102-Y247 HydrophobicContact CB-CE1 4.07Å; V102-Y247 HydrophobicContact CG2-CE1 4.45Å; L103-Y247 VanDerWaalsContact O-CD1 3.28Å; L103-Y247 WeakPolarHBondContact O-CD1 3.31Å; L103-Y247 PolarHBondContact O-N 3.29Å; L104-Y247 HydrophobicContact CB-CE1 3.89Å; L104-Y247 HydrophobicContact CD1-CD2 3.95Å; L104-Y247 HydrophobicContact CD1-CE1 4.28Å; L104-Y247 HydrophobicContact CD1-CE2 3.47Å; L104-Y247 VanDerWaalsContact CD1-CE2 3.47Å; L104-Y247 HydrophobicContact CG-CE2 4.41Å; L105-Y247 WeakPolarHBondContact CB-O 3.36Å; L105-Y247 WeakPolarHBondContact CG-O 3.14Å; L105-Y247 PolarHBondContact N-O 3.12Å; Q136-Y247 HydrophobicContact CG-CE2 4.24Å; Q136-Y247 PolarHBondContact OE1-OH 2.84Å; W159-Y247 WeakPolarHBondContact CZ2-OH 3.24Å; W159-Y247 PolarHBondContact NE1-OH 2.88Å; Y247-V254 HydrophobicContact CD2-CG1 4.13Å; Y247-V254 HydrophobicContact CD2-CG2 4Å; Y247-V254 HydrophobicContact CE2-CG1 4.21Å; Y247-V254 HydrophobicContact CG-CG2 4.4Å; Y247-V256 HydrophobicContact CD1-CG1 3.91Å; Y247-V256 HydrophobicContact CD2-CG1 3.88Å; Y247-V256 HydrophobicContact CE1-CG1 3.8Å; Y247-V256 HydrophobicContact CE2-CG1 3.75Å; Y247-V256 HydrophobicContact CG-CG1 3.95Å; Y247-C341 WeakPolarHBondContact CA-O 3.15Å
248C96.7Very high98.2Very high22 Ų2221.9 Ų21.915%0.14912%0.115CC..EExtended strand (participates in β ladder)trans-88.8145.4172.9-69.90000112.7D250 C341C248-D250 WeakPolarHBondContact CB-OD1 3.38Å; C248-D250 PolarHBondContact O-N 3.32Å; C248-C341 VanDerWaalsContact SG-SG 3.64Å
249V96.1Very high98.2Very high9 Ų914.7 Ų14.76%0.0558%0.078CC..THydrogen-bonded Turntrans-66.4-19.4-178.1700000114.1L104 K119 G120 Y133 Q136 N251L104-V249 HydrophobicContact CD1-CB 3.58Å; L104-V249 HydrophobicContact CD1-CG2 4.13Å; L104-V249 HydrophobicContact CD2-CG2 4.36Å; L104-V249 HydrophobicContact CG-CB 4.43Å; K119-V249 HydrophobicContact CB-CG1 4.08Å; K119-V249 HydrophobicContact CD-CG1 4.24Å; G120-V249 VanDerWaalsContact CA-CG2 3.45Å; Y133-V249 HydrophobicContact CD1-CG2 4.14Å; Y133-V249 HydrophobicContact CE1-CG2 3.78Å; Q136-V249 PolarHBondContact NE2-O 2.84Å; V249-N251 PolarHBondContact O-N 3.39Å
250D94.6Very high98.2Very high31 Ų3111.9 Ų11.917%0.1667%0.068CC..THydrogen-bonded Turntrans-90.45.3-165.863.3-11.1000115.7K119 C248 P419 L420K119-D250 HydrophobicContact CD-CB 3.38Å; K119-D250 VanDerWaalsContact NZ-CB 3.26Å; K119-D250 IonicContact NZ-OD2 3.56Å; K119-D250 PolarHBondContact NZ-OD2 3.39Å; C248-D250 WeakPolarHBondContact CB-OD1 3.38Å; C248-D250 PolarHBondContact O-N 3.32Å; D250-P419 CarbonylContact O-C 3.58Å; D250-P419 VanDerWaalsContact O-CA 3.31Å; D250-P419 WeakPolarHBondContact O-CA 3.26Å; D250-L420 HydrophobicContact CB-CB 4.48Å; D250-L420 PolarHBondContact O-N 3.17Å
251N97.2Very high98.2Very high4 Ų410 Ų102%0.0215%0.05CC..BIsolated β-bridgetrans-98.7109.1175178.19.4000110.5V249 L253 V254 Q416 F417 S418V249-N251 PolarHBondContact O-N 3.39Å; N251-L253 PolarHBondContact O-N 2.83Å; N251-L253 PolarHBondContact OD1-N 2.73Å; N251-L253 VanDerWaalsContact OD1-N 3.08Å; N251-V254 HydrophobicContact CB-CB 4.06Å; N251-V254 VanDerWaalsContact O-CG1 3.28Å; N251-V254 WeakPolarHBondContact O-CG1 3.32Å; N251-V254 PolarHBondContact O-N 2.87Å; N251-Q416 PolarHBondContact ND2-O 3.29Å; N251-Q416 PolarHBondContact OD1-O 2.96Å; N251-F417 WeakPolarHBondContact OD1-CA 3.31Å; N251-S418 PolarHBondContact OD1-N 2.85Å; N251-S418 PolarHBondContact OD1-O 3.23Å
252I97.9Very high98.2Very high1 Ų110 Ų101%0.0055%0.049CC..THydrogen-bonded Turntrans-67.1-26.9-178-159.5176.7000112.1P124 L126 L132 L135 R139 S418 A434 L438P124-I252 HydrophobicContact CB-CD1 4.41Å; P124-I252 HydrophobicContact CG-CD1 3.58Å; L126-I252 HydrophobicContact CD1-CD1 4.37Å; L126-I252 HydrophobicContact CD2-CD1 4.36Å; L132-I252 HydrophobicContact CD2-CB 4.19Å; L132-I252 HydrophobicContact CD2-CG1 4.06Å; L135-I252 HydrophobicContact CD1-CD1 4.23Å; L135-I252 HydrophobicContact CD1-CG1 3.65Å; R139-I252 VanDerWaalsContact CZ-O 3.26Å; R139-I252 PolarHBondContact NH1-O 3.23Å; R139-I252 PolarHBondContact NH2-O 3.09Å; I252-S418 PolarHBondContact N-O 3.14Å; I252-A434 HydrophobicContact CB-CB 4.47Å; I252-A434 HydrophobicContact CD1-CB 4.4Å; I252-A434 HydrophobicContact CG2-CB 3.98Å; I252-L438 HydrophobicContact CD1-CB 4.18Å; I252-L438 HydrophobicContact CD1-CD2 3.92Å; I252-L438 HydrophobicContact CG1-CD2 4.21Å; I252-L438 HydrophobicContact CG2-CB 4.49Å
253L98.5Very high98.2Very high1 Ų16.7 Ų6.71%0.0053%0.034CC..THydrogen-bonded Turntrans-91.1-2.7-177.4-70.5-178.6000113.9N251 K255 Q416 D437 L438 Y441N251-L253 PolarHBondContact O-N 2.83Å; N251-L253 PolarHBondContact OD1-N 2.73Å; N251-L253 VanDerWaalsContact OD1-N 3.08Å; L253-K255 PolarHBondContact O-N 2.86Å; L253-Q416 VanDerWaalsContact CB-C 3.42Å; L253-D437 HydrophobicContact CD1-CB 4.3Å; L253-L438 HydrophobicContact CD2-CB 4.27Å; L253-L438 HydrophobicContact CD2-CD1 3.7Å; L253-Y441 HydrophobicContact CD2-CD1 4.3Å; L253-Y441 HydrophobicContact CD2-CG 4.41Å
254V98.6Very high98.2Very high1 Ų14.9 Ų4.91%0.0063%0.027CC..  trans-54.4131.6-172.571.80000113.4Q136 R139 Y247 N251 V256 V342Q136-V254 HydrophobicContact CG-CG1 4.24Å; R139-V254 WeakPolarHBondContact CD-O 3.4Å; R139-V254 PolarHBondContact NH1-O 2.74Å; Y247-V254 HydrophobicContact CD2-CG1 4.13Å; Y247-V254 HydrophobicContact CD2-CG2 4Å; Y247-V254 HydrophobicContact CE2-CG1 4.21Å; Y247-V254 HydrophobicContact CG-CG2 4.4Å; N251-V254 HydrophobicContact CB-CB 4.06Å; N251-V254 VanDerWaalsContact O-CG1 3.28Å; N251-V254 WeakPolarHBondContact O-CG1 3.32Å; N251-V254 PolarHBondContact O-N 2.87Å; V254-V256 HydrophobicContact CG1-CG1 4.09Å; V254-V256 HydrophobicContact CG2-CG1 3.89Å; V254-V342 HydrophobicContact CG2-CG2 4.06Å
255K98.5Very high98.2Very high8 Ų84.9 Ų4.94%0.0353%0.027CC..  trans-88118.5172-65.7-57.8-175.2-1770109.8Q245 L253 D258 Q416 Y441 Y483Q245-K255 PolarHBondContact NE2-O 3.19Å; L253-K255 PolarHBondContact O-N 2.86Å; K255-D258 HydrophobicContact CB-CB 3.8Å; K255-D258 PolarHBondContact O-N 3.49Å; K255-Q416 VanDerWaalsContact CG-CD 3.46Å; K255-Q416 HydrophobicContact CG-CG 4.04Å; K255-Y441 PolarHBondContact NZ-OH 2.79Å; K255-Y483 VanDerWaalsContact C-OH 3.25Å; K255-Y483 WeakPolarHBondContact CA-OH 3.46Å; K255-Y483 WeakPolarHBondContact CB-OH 3.49Å; K255-Y483 HydrophobicContact CD-CE1 4.31Å; K255-Y483 PolarHBondContact NZ-O 2.91Å
256V98.5Very high98.2Very high0 Ų06.3 Ų6.30%04%0.035CC..THydrogen-bonded Turntrans-134.4114.3-176.2-69.80000112.4V102 Q136 R139 L140 Y247 V254 Y483V102-V256 HydrophobicContact CG1-CB 4.46Å; Q136-V256 HydrophobicContact CB-CG2 4.24Å; Q136-V256 HydrophobicContact CG-CG2 4.38Å; R139-V256 HydrophobicContact CB-CG2 4.06Å; L140-V256 HydrophobicContact CD2-CB 4.4Å; L140-V256 WeakPolarHBondContact CD2-O 3.43Å; L140-V256 HydrophobicContact CG-CG2 4.45Å; Y247-V256 HydrophobicContact CD1-CG1 3.91Å; Y247-V256 HydrophobicContact CD2-CG1 3.88Å; Y247-V256 HydrophobicContact CE1-CG1 3.8Å; Y247-V256 HydrophobicContact CE2-CG1 3.75Å; Y247-V256 HydrophobicContact CG-CG1 3.95Å; V254-V256 HydrophobicContact CG1-CG1 4.09Å; V254-V256 HydrophobicContact CG2-CG1 3.89Å; V256-Y483 PolarHBondContact N-OH 2.87Å
257P98.7Very high98.2Very high0 Ų09.3 Ų9.30%05%0.049CC..THydrogen-bonded Turncis-69.1141.6-2029.8-35.1000112.5V95 V100 V102 V143 I157 L259 I262 Y483V95-P257 HydrophobicContact CG2-CG 3.91Å; V100-P257 HydrophobicContact CG1-CB 4.01Å; V100-P257 HydrophobicContact CG1-CG 4.3Å; V102-P257 HydrophobicContact CG1-CB 4.03Å; V143-P257 HydrophobicContact CG1-CG 4.16Å; I157-P257 HydrophobicContact CD1-CG 4.22Å; P257-L259 HydrophobicContact CG-CD2 4.29Å; P257-L259 PolarHBondContact O-N 3.05Å; P257-L259 VanDerWaalsContact O-N 3.11Å; P257-I262 HydrophobicContact CB-CD1 3.54Å; P257-Y483 PolarHBondContact O-OH 3.45Å
258D98.8Very high98.2Very high2 Ų211.5 Ų11.51%0.0116%0.061CC..  trans-70.4107.5168.5-172.5-39.8000109.7K255 H260 F261 I262 Q416K255-D258 HydrophobicContact CB-CB 3.8Å; K255-D258 PolarHBondContact O-N 3.49Å; D258-H260 PolarHBondContact O-N 3.22Å; D258-H260 WeakPolarHBondContact OD1-CA 3.42Å; D258-H260 WeakPolarHBondContact OD1-CB 3.36Å; D258-H260 PolarHBondContact OD1-N 3.37Å; D258-F261 HydrophobicContact CB-CB 3.76Å; D258-F261 PolarHBondContact O-N 3.12Å; D258-F261 PolarHBondContact OD1-N 3.37Å; D258-I262 WeakPolarHBondContact O-CB 3.28Å; D258-I262 VanDerWaalsContact O-CG1 3.32Å; D258-I262 WeakPolarHBondContact O-CG1 3.36Å; D258-I262 PolarHBondContact O-N 2.79Å; D258-Q416 PolarHBondContact OD2-NE2 2.86Å; D258-Q416 PolarHBondContact OD2-OE1 2.86Å; D258-Q416 VanDerWaalsContact OD2-OE1 3.1Å
259L98.8Very high98.3Very high0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-69.1-31.1-176.3-61.2175.2000113.2F88 L92 V95 V143 M146 P257 G263 Y483F88-L259 HydrophobicContact CD2-CB 3.89Å; F88-L259 HydrophobicContact CD2-CD1 4.12Å; F88-L259 HydrophobicContact CE2-CB 4.11Å; F88-L259 HydrophobicContact CE2-CD1 3.49Å; F88-L259 VanDerWaalsContact CE2-CD1 3.49Å; F88-L259 HydrophobicContact CE2-CG 4.44Å; F88-L259 HydrophobicContact CZ-CD1 3.83Å; L92-L259 HydrophobicContact CB-CD1 4.43Å; L92-L259 HydrophobicContact CD1-CD1 3.73Å; L92-L259 HydrophobicContact CD1-CD2 4.34Å; V95-L259 HydrophobicContact CG2-CD2 3.9Å; V143-L259 HydrophobicContact CG1-CD1 4.38Å; V143-L259 HydrophobicContact CG1-CD2 3.99Å; M146-L259 HydrophobicContact CE-CD1 4.15Å; P257-L259 HydrophobicContact CG-CD2 4.29Å; P257-L259 PolarHBondContact O-N 3.05Å; P257-L259 VanDerWaalsContact O-N 3.11Å; L259-G263 PolarHBondContact O-N 3.05Å; L259-Y483 HydrophobicContact CD1-CE1 4.46Å; L259-Y483 HydrophobicContact CG-CE1 4.48Å
260H98.8Very high98.4Very high23 Ų2315.2 Ų15.211%0.1068%0.08CC..Hα-helixtrans-73.8-44175.8-60.3100.8000110.1L84 F88 D258 G263 Y264 W409L84-H260 HydrophobicContact CD1-CB 4.27Å; L84-H260 WeakPolarHBondContact CD1-CD2 3.49Å; F88-H260 AromaticContact CD2-CE1 3.76Å; F88-H260 AromaticContact CD2-NE2 3.71Å; D258-H260 PolarHBondContact O-N 3.22Å; D258-H260 WeakPolarHBondContact OD1-CA 3.42Å; D258-H260 WeakPolarHBondContact OD1-CB 3.36Å; D258-H260 PolarHBondContact OD1-N 3.37Å; H260-G263 PolarHBondContact O-N 2.92Å; H260-Y264 VanDerWaalsContact O-CB 3.28Å; H260-Y264 WeakPolarHBondContact O-CB 3.25Å; H260-Y264 PolarHBondContact O-N 2.92Å; H260-W409 HydrophobicContact CB-CH2 4.45Å; H260-W409 HydrophobicContact CB-CZ2 3.7Å
261F98.8Very high98.6Very high0 Ų014.7 Ų14.70%08%0.077CC..Hα-helixtrans-62.2-48.4179.2-179.6-147000111.6D258 G263 Y264 C265 A273 E275 V342 F344 W409D258-F261 HydrophobicContact CB-CB 3.76Å; D258-F261 PolarHBondContact O-N 3.12Å; D258-F261 PolarHBondContact OD1-N 3.37Å; F261-G263 PolarHBondContact O-N 3.28Å; F261-Y264 PolarHBondContact O-N 2.79Å; F261-C265 WeakPolarHBondContact CE2-SG 3.29Å; F261-C265 WeakPolarHBondContact O-CB 3.29Å; F261-C265 PolarHBondContact O-N 3.2Å; F261-C265 PolarHBondContact O-SG 2.87Å; F261-A273 HydrophobicContact CE2-CB 3.7Å; F261-A273 HydrophobicContact CZ-CB 3.89Å; F261-E275 HydrophobicContact CD1-CB 4.1Å; F261-E275 HydrophobicContact CE1-CB 3.87Å; F261-E275 HydrophobicContact CE2-CB 4.47Å; F261-E275 HydrophobicContact CZ-CB 4.07Å; F261-V342 HydrophobicContact CE1-CG1 4.37Å; F261-F344 HydrophobicContact CD1-CB 4.46Å; F261-F344 HydrophobicContact CE1-CB 3.68Å; F261-F344 HydrophobicContact CE2-CB 4.12Å; F261-F344 HydrophobicContact CZ-CB 3.48Å; F261-F344 VanDerWaalsContact CZ-CB 3.48Å; F261-W409 HydrophobicContact CB-CG 4.21Å; F261-W409 HydrophobicContact CD2-CB 3.36Å; F261-W409 AromaticContact CD2-CD1 3.73Å; F261-W409 AromaticContact CD2-CG 3.59Å; F261-W409 HydrophobicContact CD2-CG 3.59Å; F261-W409 HydrophobicContact CE2-CB 3.6Å; F261-W409 HydrophobicContact CE2-CG 4.33Å; F261-W409 HydrophobicContact CG-CB 4.3Å; F261-W409 AromaticContact CG-CD1 3.85Å; F261-W409 HydrophobicContact CG-CG 4.18Å
262I98.9Very high98.6Very high0 Ų014.5 Ų14.50%08%0.076CC..Hα-helixtrans-60.9-47.1175.1-69.1179000110.3V100 P257 D258 Y264 C265 V266 F344V100-I262 HydrophobicContact CB-CD1 4.48Å; V100-I262 HydrophobicContact CG1-CD1 3.5Å; V100-I262 HydrophobicContact CG2-CD1 4.09Å; V100-I262 HydrophobicContact CG2-CG2 4.2Å; P257-I262 HydrophobicContact CB-CD1 3.54Å; D258-I262 WeakPolarHBondContact O-CB 3.28Å; D258-I262 VanDerWaalsContact O-CG1 3.32Å; D258-I262 WeakPolarHBondContact O-CG1 3.36Å; D258-I262 PolarHBondContact O-N 2.79Å; I262-Y264 VanDerWaalsContact C-N 3.33Å; I262-Y264 PolarHBondContact O-N 2.99Å; I262-C265 PolarHBondContact O-N 3.01Å; I262-V266 HydrophobicContact CG2-CG2 4.09Å; I262-V266 WeakPolarHBondContact O-CB 3.41Å; I262-V266 VanDerWaalsContact O-CG2 3.27Å; I262-V266 WeakPolarHBondContact O-CG2 3.24Å; I262-V266 PolarHBondContact O-N 2.8Å; I262-F344 HydrophobicContact CG1-CD2 4.22Å; I262-F344 HydrophobicContact CG2-CE2 4.37Å
263G98.9Very high98.7Very high0 Ų014.5 Ų14.50%08%0.076CC..Hα-helixtrans-58.1-43.917900000113.7Y87 L259 H260 F261 E267Y87-G263 VanDerWaalsContact O-CA 3.24Å; Y87-G263 WeakPolarHBondContact O-CA 3.32Å; L259-G263 PolarHBondContact O-N 3.05Å; H260-G263 PolarHBondContact O-N 2.92Å; F261-G263 PolarHBondContact O-N 3.28Å; G263-E267 WeakPolarHBondContact O-CB 3.4Å; G263-E267 PolarHBondContact O-N 3.47Å
264Y98.8Very high98.7Very high1 Ų114.4 Ų14.40%0.0048%0.075CC..Hα-helixtrans-59.9-47.4174.3167.9-114.6000111.6I69 K71 Y87 H260 F261 I262 N268 F407 W409I69-Y264 PolarHBondContact O-OH 3.16Å; I69-Y264 VanDerWaalsContact O-OH 3.04Å; K71-Y264 HydrophobicContact CB-CE2 4.03Å; K71-Y264 HydrophobicContact CG-CD2 4.16Å; K71-Y264 HydrophobicContact CG-CE2 3.4Å; Y87-Y264 HydrophobicContact CE1-CD2 4.47Å; Y87-Y264 AromaticContact CE2-CD2 3.92Å; Y87-Y264 HydrophobicContact CE2-CD2 3.92Å; Y87-Y264 AromaticContact CZ-CD2 3.85Å; H260-Y264 VanDerWaalsContact O-CB 3.28Å; H260-Y264 WeakPolarHBondContact O-CB 3.25Å; H260-Y264 PolarHBondContact O-N 2.92Å; F261-Y264 PolarHBondContact O-N 2.79Å; I262-Y264 VanDerWaalsContact C-N 3.33Å; I262-Y264 PolarHBondContact O-N 2.99Å; Y264-N268 WeakPolarHBondContact CD2-ND2 3.22Å; Y264-N268 WeakPolarHBondContact CE2-ND2 3.28Å; Y264-N268 WeakPolarHBondContact O-CB 3.22Å; Y264-N268 PolarHBondContact O-N 2.92Å; Y264-N268 VanDerWaalsContact O-N 3.09Å; Y264-N268 PolarHBondContact O-ND2 2.9Å; Y264-F407 HydrophobicContact CE1-CB 3.79Å; Y264-F407 HydrophobicContact CE1-CD1 4.46Å; Y264-F407 HydrophobicContact CE1-CG 4.39Å; Y264-F407 AromaticContact CZ-CD1 3.93Å; Y264-F407 WeakPolarHBondContact OH-CD1 3.45Å; Y264-W409 HydrophobicContact CD1-CB 4.27Å; Y264-W409 HydrophobicContact CD1-CD2 4.23Å; Y264-W409 AromaticContact CD1-CE3 3.57Å; Y264-W409 HydrophobicContact CD1-CE3 3.57Å; Y264-W409 HydrophobicContact CD1-CZ3 4.27Å; Y264-W409 HydrophobicContact CD2-CE3 4.22Å; Y264-W409 HydrophobicContact CD2-CZ3 4.14Å; Y264-W409 HydrophobicContact CE1-CB 4.43Å; Y264-W409 HydrophobicContact CE1-CE3 4.05Å; Y264-W409 AromaticContact CG-CE3 3.66Å; Y264-W409 HydrophobicContact CG-CE3 3.66Å; Y264-W409 AromaticContact CG-CZ3 3.87Å; Y264-W409 HydrophobicContact CG-CZ3 3.87Å
265C98.9Very high98.7Very high0 Ų014.4 Ų14.40%08%0.075CC..Hα-helixtrans-65.1-42.3179.8-68.70000112.4F261 I262 N268 N269 A270 A273 F344F261-C265 WeakPolarHBondContact CE2-SG 3.29Å; F261-C265 WeakPolarHBondContact O-CB 3.29Å; F261-C265 PolarHBondContact O-N 3.2Å; F261-C265 PolarHBondContact O-SG 2.87Å; I262-C265 PolarHBondContact O-N 3.01Å; C265-N268 CarbonylContact O-C 3.43Å; C265-N268 PolarHBondContact O-N 2.79Å; C265-N269 WeakPolarHBondContact O-CA 3.22Å; C265-N269 PolarHBondContact O-N 2.85Å; C265-A270 HydrophobicContact CB-CB 3.91Å; C265-A270 PolarHBondContact O-N 3.45Å; C265-A273 VanDerWaalsContact SG-CB 3.5Å; C265-F344 HydrophobicContact CB-CB 4.41Å; C265-F344 HydrophobicContact CB-CD1 3.6Å; C265-F344 HydrophobicContact CB-CD2 3.69Å; C265-F344 HydrophobicContact CB-CE1 3.62Å; C265-F344 HydrophobicContact CB-CE2 3.67Å; C265-F344 HydrophobicContact CB-CG 3.64Å; C265-F344 HydrophobicContact CB-CZ 3.63Å
266V98.8Very high98.7Very high29 Ų2914 Ų1418%0.1767%0.074CC..Hα-helixtrans-65.8-47.6178.8172.90000111.1I90 Y243 I262 N268 N269 F344I90-V266 HydrophobicContact CG2-CB 3.75Å; I90-V266 HydrophobicContact CG2-CG1 3.61Å; Y243-V266 HydrophobicContact CD1-CG2 4.2Å; Y243-V266 HydrophobicContact CD2-CG2 3.93Å; Y243-V266 HydrophobicContact CE1-CG2 3.87Å; Y243-V266 HydrophobicContact CE2-CG2 3.56Å; Y243-V266 HydrophobicContact CG-CG2 4.23Å; I262-V266 HydrophobicContact CG2-CG2 4.09Å; I262-V266 WeakPolarHBondContact O-CB 3.41Å; I262-V266 VanDerWaalsContact O-CG2 3.27Å; I262-V266 WeakPolarHBondContact O-CG2 3.24Å; I262-V266 PolarHBondContact O-N 2.8Å; V266-N268 VanDerWaalsContact C-N 3.3Å; V266-N268 PolarHBondContact O-N 2.79Å; V266-N269 PolarHBondContact O-N 2.87Å; V266-F344 HydrophobicContact CG2-CE2 4.49Å; V266-F344 HydrophobicContact CG2-CZ 4.46Å
267E98.4Very high98.7Very high63 Ų6314 Ų1429%0.2947%0.074SC..Hα-helixtrans-57.4-45.1177.2-176.484.8-139.200111.2R86 Y87 I90 G263 N269R86-E267 IonicContact CZ-OE1 3.6Å; R86-E267 IonicContact CZ-OE2 3.79Å; R86-E267 IonicContact NE-OE1 2.76Å; R86-E267 IonicContact NE-OE2 3.61Å; R86-E267 PolarHBondContact NE-OE2 3.1Å; R86-E267 IonicContact NH2-OE1 3.19Å; R86-E267 PolarHBondContact NH2-OE1 3.21Å; R86-E267 IonicContact NH2-OE2 3.63Å; R86-E267 PolarHBondContact NH2-OE2 2.87Å; R86-E267 VanDerWaalsContact NH2-OE2 3.16Å; Y87-E267 HydrophobicContact CD1-CB 4.29Å; Y87-E267 HydrophobicContact CE1-CB 3.97Å; Y87-E267 HydrophobicContact CE1-CG 4.02Å; I90-E267 HydrophobicContact CD1-CB 4.25Å; I90-E267 WeakPolarHBondContact CD1-OE2 3.44Å; G263-E267 WeakPolarHBondContact O-CB 3.4Å; G263-E267 PolarHBondContact O-N 3.47Å; E267-N269 PolarHBondContact O-N 3.38Å; E267-N269 PolarHBondContact O-ND2 2.78Å
268N98.4Very high98.6Very high47 Ų4717.1 Ų17.125%0.2519%0.088SC..THydrogen-bonded Turntrans-84.16-179.3-68.9-80.7000113.2Y264 C265 V266 A270 R405 F407Y264-N268 WeakPolarHBondContact CD2-ND2 3.22Å; Y264-N268 WeakPolarHBondContact CE2-ND2 3.28Å; Y264-N268 WeakPolarHBondContact O-CB 3.22Å; Y264-N268 PolarHBondContact O-N 2.92Å; Y264-N268 VanDerWaalsContact O-N 3.09Å; Y264-N268 PolarHBondContact O-ND2 2.9Å; C265-N268 CarbonylContact O-C 3.43Å; C265-N268 PolarHBondContact O-N 2.79Å; V266-N268 VanDerWaalsContact C-N 3.3Å; V266-N268 PolarHBondContact O-N 2.79Å; N268-A270 PolarHBondContact O-N 3.35Å; N268-R405 VanDerWaalsContact O-CZ 3.32Å; N268-R405 PolarHBondContact O-NH2 3.2Å; N268-F407 HydrophobicContact CB-CD1 4.45Å; N268-F407 HydrophobicContact CB-CD2 4.44Å; N268-F407 HydrophobicContact CB-CE1 3.92Å; N268-F407 HydrophobicContact CB-CE2 3.9Å; N268-F407 HydrophobicContact CB-CZ 3.61Å
269N98.4Very high98.4Very high105 Ų10517.2 Ų17.256%0.5619%0.089SC*.THydrogen-bonded Turntrans43.947.1-177.1-57.8-101.9000112C265 V266 E267 R405C265-N269 WeakPolarHBondContact O-CA 3.22Å; C265-N269 PolarHBondContact O-N 2.85Å; V266-N269 PolarHBondContact O-N 2.87Å; E267-N269 PolarHBondContact O-N 3.38Å; E267-N269 PolarHBondContact O-ND2 2.78Å; N269-R405 WeakPolarHBondContact O-CD 3.16Å; N269-R405 PolarHBondContact O-NE 3.27Å; N269-R405 PolarHBondContact O-NH1 3.44Å
270A98.8Very high98Very high4 Ų422.4 Ų22.43%0.03312%0.115CC..  trans-61.2143.2174.300000110.2C265 N268 F344 T346 R405 F407C265-A270 HydrophobicContact CB-CB 3.91Å; C265-A270 PolarHBondContact O-N 3.45Å; N268-A270 PolarHBondContact O-N 3.35Å; A270-F344 HydrophobicContact CB-CD1 4.36Å; A270-F344 HydrophobicContact CB-CE1 4.23Å; A270-T346 VanDerWaalsContact O-CG2 3.28Å; A270-T346 WeakPolarHBondContact O-CG2 3.28Å; A270-R405 WeakPolarHBondContact CA-O 3.29Å; A270-F407 HydrophobicContact CB-CD2 3.48Å; A270-F407 VanDerWaalsContact CB-CD2 3.48Å; A270-F407 HydrophobicContact CB-CE2 4.01Å; A270-F407 HydrophobicContact CB-CG 4.46Å
271D98.7Very high97.7Very high20 Ų2024.8 Ų24.811%0.10713%0.129CC..SBendtrans-95.7-29166.869.3-30.5000111.7T345 T346 F349 R352 K404 R405D271-T345 WeakPolarHBondContact O-CA 2.87Å; D271-T346 PolarHBondContact O-N 2.9Å; D271-F349 HydrophobicContact CB-CB 4.2Å; D271-F349 HydrophobicContact CB-CD2 4.27Å; D271-F349 VanDerWaalsContact O-CB 3.26Å; D271-F349 WeakPolarHBondContact O-CB 3.32Å; D271-F349 WeakPolarHBondContact O-CG 3.21Å; D271-R352 IonicContact OD2-NH2 3.38Å; D271-R352 PolarHBondContact OD2-NH2 2.87Å; D271-K404 PolarHBondContact OD1-N 3.02Å; D271-K404 PolarHBondContact OD2-N 3.38Å; D271-R405 PolarHBondContact N-O 2.78Å; D271-R405 VanDerWaalsContact OD1-C 3.23Å; D271-R405 WeakPolarHBondContact OD1-CA 3.39Å; D271-R405 PolarHBondContact OD1-N 2.82Å; D271-R405 VanDerWaalsContact OD1-O 3.13Å
272C98.8Very high97.4Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-146.7148.4170.2-174.90000110.1F344 F349 A403 F406 F407C272-F344 CarbonylContact C-O 3.59Å; C272-F344 VanDerWaalsContact CA-O 3.24Å; C272-F344 WeakPolarHBondContact CA-O 3.4Å; C272-F349 HydrophobicContact CB-CD1 4.09Å; C272-F349 HydrophobicContact CB-CD2 4.47Å; C272-F349 HydrophobicContact CB-CE1 3.78Å; C272-F349 HydrophobicContact CB-CE2 4.23Å; C272-F349 HydrophobicContact CB-CG 4.42Å; C272-F349 HydrophobicContact CB-CZ 3.85Å; C272-A403 HydrophobicContact CB-CB 3.78Å; C272-F406 HydrophobicContact CB-CD2 4.13Å; C272-F406 VanDerWaalsContact O-CA 3.29Å; C272-F406 WeakPolarHBondContact O-CA 3.29Å; C272-F407 PolarHBondContact O-N 3.37Å
273A98.9Very high97.1Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-150156.2170.700000111.1F261 C265 H343 F344 F407F261-A273 HydrophobicContact CE2-CB 3.7Å; F261-A273 HydrophobicContact CZ-CB 3.89Å; C265-A273 VanDerWaalsContact SG-CB 3.5Å; A273-H343 CarbonylContact O-C 3.32Å; A273-H343 VanDerWaalsContact O-CA 3.29Å; A273-H343 WeakPolarHBondContact O-CA 3.42Å; A273-F344 HydrophobicContact CB-CB 4.18Å; A273-F344 PolarHBondContact N-O 2.73Å; A273-F344 PolarHBondContact O-N 3.44Å; A273-F407 CarbonylContact C-O 3.46Å; A273-F407 WeakPolarHBondContact CA-O 3.38Å; A273-F407 HydrophobicContact CB-CB 4Å; A273-F407 VanDerWaalsContact CB-O 3.23Å; A273-F407 WeakPolarHBondContact CB-O 3.31Å
274A98.8Very high96.8Very high0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-110.4130.8173.200000110.7V276 V289 F400 F406 F407 I408 W409A274-V276 HydrophobicContact CB-CG1 4.17Å; A274-V289 HydrophobicContact CB-CG2 4.24Å; A274-F400 HydrophobicContact CB-CE2 3.9Å; A274-F400 HydrophobicContact CB-CZ 3.76Å; A274-F406 HydrophobicContact CB-CZ 3.78Å; A274-F407 PolarHBondContact N-O 2.92Å; A274-I408 WeakPolarHBondContact O-CA 3.32Å; A274-W409 PolarHBondContact O-N 2.8Å
275E98.9Very high96.5Very high0 Ų037.6 Ų37.60%020%0.196CC..EExtended strand (participates in β ladder)trans-83.5134.2160.9-178178.5103.700108.8F261 I340 V342 W409 V411 Q416F261-E275 HydrophobicContact CD1-CB 4.1Å; F261-E275 HydrophobicContact CE1-CB 3.87Å; F261-E275 HydrophobicContact CE2-CB 4.47Å; F261-E275 HydrophobicContact CZ-CB 4.07Å; E275-I340 HydrophobicContact CG-CD1 4.14Å; E275-I340 VanDerWaalsContact O-CG1 3.28Å; E275-I340 WeakPolarHBondContact O-CG1 3.27Å; E275-V342 HydrophobicContact CB-CB 3.95Å; E275-V342 HydrophobicContact CB-CG1 3.92Å; E275-V342 HydrophobicContact CG-CG1 4.47Å; E275-V342 PolarHBondContact N-O 2.54Å; E275-W409 CarbonylContact C-O 3.57Å; E275-W409 VanDerWaalsContact CA-O 3.22Å; E275-W409 WeakPolarHBondContact CA-O 3.43Å; E275-V411 HydrophobicContact CG-CB 4.48Å; E275-V411 HydrophobicContact CG-CG1 3.84Å; E275-V411 HydrophobicContact CG-CG2 3.79Å; E275-Q416 PolarHBondContact OE1-OE1 3.45Å
276V98.8Very high96.2Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-135.6161.1-171.3-58.10000110.9A274 V289 H337 G338 I408 W409 E410 V411A274-V276 HydrophobicContact CB-CG1 4.17Å; V276-V289 HydrophobicContact CG1-CG2 3.9Å; V276-H337 HydrophobicContact CB-CB 4.37Å; V276-H337 HydrophobicContact CG1-CB 4.31Å; V276-H337 HydrophobicContact CG2-CB 4.1Å; V276-G338 WeakPolarHBondContact CA-O 3.2Å; V276-G338 VanDerWaalsContact CB-O 3.25Å; V276-G338 WeakPolarHBondContact CB-O 3.39Å; V276-I408 HydrophobicContact CB-CG2 4.35Å; V276-I408 HydrophobicContact CG1-CG2 3.94Å; V276-I408 HydrophobicContact CG2-CG2 3.44Å; V276-I408 VanDerWaalsContact CG2-CG2 3.44Å; V276-W409 PolarHBondContact N-O 3.47Å; V276-E410 HydrophobicContact CG2-CB 3.88Å; V276-E410 HydrophobicContact CG2-CG 4.4Å; V276-E410 WeakPolarHBondContact O-CA 3.33Å; V276-V411 WeakPolarHBondContact O-CG2 3.39Å; V276-V411 PolarHBondContact O-N 3.05Å
277V98.3Very high96Very high0 Ų036.7 Ų36.70%019%0.191CC..EExtended strand (participates in β ladder)trans-117.6156.5165.8-63.90000109.8K279 L286 S336 G338 I340 V411 R413 F417V277-K279 PolarHBondContact O-N 2.95Å; V277-L286 HydrophobicContact CG2-CD2 4.05Å; V277-S336 VanDerWaalsContact O-O 3.1Å; V277-G338 PolarHBondContact N-O 2.89Å; V277-G338 WeakPolarHBondContact O-CA 3.49Å; V277-G338 PolarHBondContact O-N 2.97Å; V277-I340 HydrophobicContact CB-CG2 4.27Å; V277-I340 HydrophobicContact CG1-CD1 4.34Å; V277-I340 HydrophobicContact CG1-CG2 3.92Å; V277-I340 HydrophobicContact CG2-CG2 3.57Å; V277-V411 HydrophobicContact CG1-CG2 4.08Å; V277-R413 HydrophobicContact CB-CB 4.39Å; V277-R413 HydrophobicContact CG1-CB 4.27Å; V277-F417 HydrophobicContact CG1-CB 3.61Å; V277-F417 HydrophobicContact CG1-CD1 4.21Å; V277-F417 HydrophobicContact CG1-CG 4.11Å; V277-F417 HydrophobicContact CG2-CD1 3.84Å; V277-F417 HydrophobicContact CG2-CE1 4.23Å; V277-F417 HydrophobicContact CG2-CG 4.47Å
278Q96.8Very high96Very high66 Ų6633.8 Ų33.831%0.30818%0.178SC..EExtended strand (participates in β ladder)trans-62.5120.5168.7-172.6176.4-20.900110L280 S336 R413Q278-L280 HydrophobicContact CB-CD2 4.36Å; Q278-L280 HydrophobicContact CG-CD2 3.92Å; Q278-S336 CarbonylContact C-O 3.6Å; Q278-S336 WeakPolarHBondContact CA-O 3.48Å; Q278-R413 PolarHBondContact O-NH2 2.9Å
279K94.8Very high96Very high4 Ų431.6 Ų31.62%0.01717%0.166CC..  trans-70121.3163-175.4175.6172.6176.80107.8V277 D281 P282 E284 V288 L333 S336V277-K279 PolarHBondContact O-N 2.95Å; K279-D281 WeakPolarHBondContact CE-O 3.39Å; K279-P282 VanDerWaalsContact CE-O 3.26Å; K279-P282 WeakPolarHBondContact CE-O 3.32Å; K279-P282 PolarHBondContact NZ-O 3.17Å; K279-E284 WeakPolarHBondContact CE-O 3.31Å; K279-E284 HydrophobicContact CG-CB 4.16Å; K279-E284 PolarHBondContact NZ-O 2.87Å; K279-V288 HydrophobicContact CD-CG1 3.71Å; K279-L333 HydrophobicContact CG-CD1 4.28Å; K279-S336 PolarHBondContact N-O 3.01Å
280L90.2Very high95.9Very high108 Ų10826.6 Ų26.657%0.56514%0.139SC*.  trans-98.3-32-172.5-62.3177.3000112.4Q278Q278-L280 HydrophobicContact CB-CD2 4.36Å; Q278-L280 HydrophobicContact CG-CD2 3.92Å
281D92Very high95.8Very high74 Ų7427.3 Ų27.340%0.39614%0.143SC..SBendtrans-117.5126.2-176.8176.7-3.8000108.8K279 E283 E284K279-D281 WeakPolarHBondContact CE-O 3.39Å; D281-E283 PolarHBondContact O-N 2.99Å; D281-E283 VanDerWaalsContact O-N 3.13Å; D281-E283 PolarHBondContact OD1-N 3Å; D281-E284 HydrophobicContact CB-CB 4.24Å; D281-E284 VanDerWaalsContact O-CB 3.25Å; D281-E284 WeakPolarHBondContact O-CB 3.47Å; D281-E284 PolarHBondContact O-N 3.13Å
282P92.5Very high95.6Very high24 Ų2426.9 Ų26.916%0.15614%0.141CC..THydrogen-bonded Turntrans-47.9-35.8172.7-29.536.5000113.9K279 A309 L333K279-P282 VanDerWaalsContact CE-O 3.26Å; K279-P282 WeakPolarHBondContact CE-O 3.32Å; K279-P282 PolarHBondContact NZ-O 3.17Å; P282-A309 HydrophobicContact CB-CB 4.45Å; P282-L333 HydrophobicContact CG-CD1 4.3Å; P282-L333 HydrophobicContact CG-CD2 3.92Å
283E93.1Very high95.3Very high168 Ų16832.1 Ų32.179%0.78517%0.169SC*.THydrogen-bonded Turntrans-87.9-0.3-178.5-58.1-168.1158.800113.7D281 P285D281-E283 PolarHBondContact O-N 2.99Å; D281-E283 VanDerWaalsContact O-N 3.13Å; D281-E283 PolarHBondContact OD1-N 3Å; E283-P285 WeakPolarHBondContact O-CD 3.29Å
284E92.3Very high95.1Very high22 Ų2235.3 Ų35.310%0.10320%0.202CC..  trans-58.8125174.2-170.9-177.1177.200109.4K279 D281 L286 R413K279-E284 WeakPolarHBondContact CE-O 3.31Å; K279-E284 HydrophobicContact CG-CB 4.16Å; K279-E284 PolarHBondContact NZ-O 2.87Å; D281-E284 HydrophobicContact CB-CB 4.24Å; D281-E284 VanDerWaalsContact O-CB 3.25Å; D281-E284 WeakPolarHBondContact O-CB 3.47Å; D281-E284 PolarHBondContact O-N 3.13Å; E284-L286 HydrophobicContact CG-CB 4Å; E284-L286 PolarHBondContact O-N 2.77Å; E284-R413 VanDerWaalsContact CD-NH2 3.32Å; E284-R413 IonicContact OE1-CZ 3.78Å; E284-R413 VanDerWaalsContact OE1-CZ 3.22Å; E284-R413 IonicContact OE1-NH1 2.71Å; E284-R413 PolarHBondContact OE1-NH1 3.48Å; E284-R413 IonicContact OE1-NH2 2.74Å; E284-R413 PolarHBondContact OE1-NH2 2.93Å; E284-R413 IonicContact OE2-CZ 3.22Å; E284-R413 IonicContact OE2-NH2 3.81Å; E284-R413 PolarHBondContact OE2-NH2 3.33Å
285P91.7Very high94.9Very high56 Ų5640 Ų4036%0.36422%0.224SC..SBendtrans-77.164.1-177.633.2-36.8000110.8E283 Y301E283-P285 WeakPolarHBondContact O-CD 3.29Å; P285-Y301 HydrophobicContact CB-CD1 4.16Å; P285-Y301 HydrophobicContact CB-CD2 4.4Å; P285-Y301 HydrophobicContact CB-CE1 3.93Å; P285-Y301 HydrophobicContact CB-CE2 4.17Å; P285-Y301 HydrophobicContact CB-CG 4.4Å
286L92.7Very high94.8Very high6 Ų642.7 Ų42.73%0.03123%0.234CC..  trans-132.2119.9-175.6-173.863.5000108.1V277 E284 N339V277-L286 HydrophobicContact CG2-CD2 4.05Å; E284-L286 HydrophobicContact CG-CB 4Å; E284-L286 PolarHBondContact O-N 2.77Å; L286-N339 VanDerWaalsContact CD1-O 3.29Å; L286-N339 WeakPolarHBondContact CD1-O 3.4Å
287G95.7Very high94.7Very high4 Ų444.4 Ų44.44%0.04124%0.243CC..  trans-64.6148.7171.400000111V299 N339G287-V299 CarbonylContact C-O 3.58Å; G287-V299 VanDerWaalsContact CA-O 3.24Å; G287-V299 WeakPolarHBondContact CA-O 3.5Å; G287-N339 PolarHBondContact O-N 2.9Å
288V97.6Very high94.6Very high2 Ų244.8 Ų44.81%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-119.9142-173.5-650000110.6K279 V298 V299 Y335 H337K279-V288 HydrophobicContact CD-CG1 3.71Å; V288-V298 WeakPolarHBondContact O-CA 3.48Å; V288-V299 PolarHBondContact N-O 2.93Å; V288-V299 PolarHBondContact O-N 3.41Å; V288-Y335 WeakPolarHBondContact CG1-O 3.48Å; V288-H337 CarbonylContact C-O 3.44Å; V288-H337 VanDerWaalsContact CA-O 3.29Å; V288-H337 WeakPolarHBondContact CA-O 3.45Å
289V98.1Very high94.5Very high0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-77.6123.9174.8-173.80000109.1P65 A274 V276 Q297 V298 H337 N339 F400 F406 I408P65-V289 WeakPolarHBondContact CG-O 3.32Å; A274-V289 HydrophobicContact CB-CG2 4.24Å; V276-V289 HydrophobicContact CG1-CG2 3.9Å; V289-Q297 WeakPolarHBondContact CA-O 3.28Å; V289-V298 HydrophobicContact CG2-CG2 4.25Å; V289-H337 HydrophobicContact CB-CB 4.22Å; V289-H337 PolarHBondContact N-O 2.89Å; V289-N339 HydrophobicContact CG2-CB 4.16Å; V289-F400 HydrophobicContact CG2-CE2 4.5Å; V289-F406 HydrophobicContact CG1-CE1 3.89Å; V289-F406 HydrophobicContact CG1-CZ 4.3Å; V289-I408 HydrophobicContact CB-CD1 4.08Å; V289-I408 HydrophobicContact CG1-CD1 3.6Å; V289-I408 HydrophobicContact CG1-CG1 4.27Å
290G96.9Very high94.4Very high0 Ų043.5 Ų43.50%024%0.239CC..EExtended strand (participates in β ladder)trans-142.8-177.5177.800000112.2Y296 Q297G290-Y296 WeakPolarHBondContact O-CA 3.44Å; G290-Q297 PolarHBondContact N-O 3.48Å; G290-Q297 PolarHBondContact O-N 3.18Å
291V96.9Very high94.3Very high20 Ų2043.9 Ų43.912%0.12123%0.233CC..EExtended strand (participates in β ladder)trans-115.4123.9175.8-176.30000108.4L63 Q295 Y296L63-V291 HydrophobicContact CB-CB 4.27Å; L63-V291 PolarHBondContact N-O 3.2Å; L63-V291 PolarHBondContact O-N 3.18Å; V291-Q295 WeakPolarHBondContact CA-O 3.39Å; V291-Y296 HydrophobicContact CG2-CD1 3.62Å; V291-Y296 HydrophobicContact CG2-CE1 3.5Å; V291-Y296 VanDerWaalsContact CG2-CE1 3.5Å
292V94.4Very high94.1Very high10 Ų1044.6 Ų44.66%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-129.5129.4174.6178.40000107.2I58 K61 L62 G294 Q295 Q297 V299I58-V292 HydrophobicContact CD1-CG2 4.5Å; I58-V292 HydrophobicContact CG1-CG2 4.27Å; K61-V292 HydrophobicContact CB-CG1 3.9Å; K61-V292 HydrophobicContact CD-CG1 4.29Å; L62-V292 HydrophobicContact CB-CG2 4.35Å; L62-V292 HydrophobicContact CD1-CG2 3.78Å; V292-G294 PolarHBondContact O-N 3.17Å; V292-G294 VanDerWaalsContact O-N 3.15Å; V292-Q295 PolarHBondContact N-O 2.56Å; V292-Q295 PolarHBondContact O-N 2.62Å; V292-Q297 HydrophobicContact CB-CG 4.49Å; V292-Q297 HydrophobicContact CG2-CG 4.3Å; V292-V299 HydrophobicContact CG2-CG2 4.07Å
293D92.8Very high93.9Very high110 Ų11044.7 Ų44.759%0.58824%0.243SC*.THydrogen-bonded Turntrans50.538.1-176.8-62.8-35.6000112.9K61 Q295K61-D293 WeakPolarHBondContact CD-OD1 3.14Å; K61-D293 WeakPolarHBondContact CE-OD1 3.44Å; K61-D293 IonicContact NZ-OD1 3.81Å; K61-D293 PolarHBondContact NZ-OD1 2.82Å; K61-D293 IonicContact NZ-OD2 2.76Å; K61-D293 PolarHBondContact NZ-OD2 2.81Å; D293-Q295 VanDerWaalsContact C-N 3.3Å; D293-Q295 PolarHBondContact O-N 2.89Å
294G93.9Very high93.8Very high67 Ų6737.4 Ų37.469%0.69121%0.209SC*.THydrogen-bonded Turntrans77.46178.800000115.5V292V292-G294 PolarHBondContact O-N 3.17Å; V292-G294 VanDerWaalsContact O-N 3.15Å
295Q95.1Very high93.8Very high99 Ų9938.2 Ų38.246%0.46322%0.217SC..EExtended strand (participates in β ladder)trans-116.1135.1-178.6-66.3178.6-11.100111.7V291 V292 D293 P401V291-Q295 WeakPolarHBondContact CA-O 3.39Å; V292-Q295 PolarHBondContact N-O 2.56Å; V292-Q295 PolarHBondContact O-N 2.62Å; D293-Q295 VanDerWaalsContact C-N 3.3Å; D293-Q295 PolarHBondContact O-N 2.89Å; Q295-P401 HydrophobicContact CB-CB 4.07Å; Q295-P401 HydrophobicContact CG-CB 4.43Å
296Y97.3Very high93.9Very high56 Ų5640.6 Ų40.622%0.2223%0.233CC..EExtended strand (participates in β ladder)trans-68.7131.7172.1-62.1-74.2000110.5P65 I69 G290 V291 F400 P401 F406P65-Y296 HydrophobicContact CB-CE1 4.4Å; I69-Y296 HydrophobicContact CD1-CD1 4.24Å; I69-Y296 HydrophobicContact CD1-CE1 3.4Å; I69-Y296 HydrophobicContact CD1-CE2 4.36Å; I69-Y296 VanDerWaalsContact CD1-CZ 3.47Å; I69-Y296 WeakPolarHBondContact CD1-OH 3.46Å; G290-Y296 WeakPolarHBondContact O-CA 3.44Å; V291-Y296 HydrophobicContact CG2-CD1 3.62Å; V291-Y296 HydrophobicContact CG2-CE1 3.5Å; V291-Y296 VanDerWaalsContact CG2-CE1 3.5Å; Y296-F400 CarbonylContact O-C 3.53Å; Y296-F400 VanDerWaalsContact O-C 3.24Å; Y296-F400 VanDerWaalsContact O-CB 3.28Å; Y296-F400 WeakPolarHBondContact O-CB 3.36Å; Y296-P401 WeakPolarHBondContact O-CA 3.4Å; Y296-P401 VanDerWaalsContact O-CD 3.29Å; Y296-P401 WeakPolarHBondContact O-CD 3.2Å; Y296-P401 WeakPolarHBondContact O-CG 3.47Å; Y296-F406 AromaticContact CD1-CD1 3.84Å; Y296-F406 HydrophobicContact CD1-CD1 3.84Å; Y296-F406 HydrophobicContact CD1-CE1 4.37Å; Y296-F406 HydrophobicContact CD2-CB 3.5Å; Y296-F406 AromaticContact CD2-CD1 3.91Å; Y296-F406 HydrophobicContact CD2-CD1 3.91Å; Y296-F406 AromaticContact CD2-CG 3.94Å; Y296-F406 HydrophobicContact CD2-CG 3.94Å; Y296-F406 HydrophobicContact CE1-CD1 4.44Å; Y296-F406 HydrophobicContact CE2-CB 3.9Å; Y296-F406 HydrophobicContact CE2-CD1 4.49Å; Y296-F406 HydrophobicContact CG-CB 4.05Å; Y296-F406 AromaticContact CG-CD1 3.55Å; Y296-F406 HydrophobicContact CG-CD1 3.55Å; Y296-F406 HydrophobicContact CG-CE1 4.25Å; Y296-F406 AromaticContact CG-CG 3.96Å; Y296-F406 HydrophobicContact CG-CG 3.96Å
297Q96.1Very high93.9Very high37 Ų3745.6 Ų45.617%0.17326%0.263CS..EExtended strand (participates in β ladder)trans-156.1165.7173.964.3-165.9-77.700111.2V289 G290 V292 V299 P401V289-Q297 WeakPolarHBondContact CA-O 3.28Å; G290-Q297 PolarHBondContact N-O 3.48Å; G290-Q297 PolarHBondContact O-N 3.18Å; V292-Q297 HydrophobicContact CB-CG 4.49Å; V292-Q297 HydrophobicContact CG2-CG 4.3Å; Q297-V299 HydrophobicContact CG-CG2 4.3Å; Q297-P401 HydrophobicContact CB-CG 4.21Å
298V96.3Very high93.8Very high7 Ų746 Ų464%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-88126.6167.9178.50000107.7V288 V289 N339 F397 F400V288-V298 WeakPolarHBondContact O-CA 3.48Å; V289-V298 HydrophobicContact CG2-CG2 4.25Å; V298-N339 HydrophobicContact CG1-CB 4.04Å; V298-N339 HydrophobicContact CG2-CB 3.78Å; V298-F397 HydrophobicContact CB-CB 4.4Å; V298-F397 HydrophobicContact CB-CD1 4.46Å; V298-F397 HydrophobicContact CB-CD2 3.51Å; V298-F397 HydrophobicContact CB-CE2 3.72Å; V298-F397 HydrophobicContact CB-CG 3.88Å; V298-F397 HydrophobicContact CB-CZ 4.26Å; V298-F397 HydrophobicContact CG1-CD2 4.28Å; V298-F397 HydrophobicContact CG1-CE1 4.46Å; V298-F397 HydrophobicContact CG1-CE2 4.07Å; V298-F397 HydrophobicContact CG1-CZ 4.14Å; V298-F397 HydrophobicContact CG2-CB 3.63Å; V298-F397 HydrophobicContact CG2-CD1 4.15Å; V298-F397 HydrophobicContact CG2-CD2 3.72Å; V298-F397 HydrophobicContact CG2-CE2 4.35Å; V298-F397 HydrophobicContact CG2-CG 3.56Å; V298-F400 HydrophobicContact CG2-CD2 4.07Å; V298-F400 HydrophobicContact CG2-CE2 3.71Å
299V94.5Very high93.6Very high0 Ų046.5 Ų46.50%027%0.269CS..EExtended strand (participates in β ladder)trans-101.1122.6170.9-175.10000107.8I58 L62 G287 V288 V292 Q297 E303 I304I58-V299 HydrophobicContact CD1-CG1 3.73Å; I58-V299 HydrophobicContact CD1-CG2 4.17Å; I58-V299 HydrophobicContact CG1-CG1 4.4Å; L62-V299 HydrophobicContact CD1-CG2 3.79Å; L62-V299 HydrophobicContact CD2-CG2 4.49Å; G287-V299 CarbonylContact C-O 3.58Å; G287-V299 VanDerWaalsContact CA-O 3.24Å; G287-V299 WeakPolarHBondContact CA-O 3.5Å; V288-V299 PolarHBondContact N-O 2.93Å; V288-V299 PolarHBondContact O-N 3.41Å; V292-V299 HydrophobicContact CG2-CG2 4.07Å; Q297-V299 HydrophobicContact CG-CG2 4.3Å; V299-E303 HydrophobicContact CG1-CB 3.84Å; V299-I304 HydrophobicContact CG1-CG2 3.56Å
300E92.5Very high93.4Very high44 Ų4449 Ų4921%0.20629%0.287CS..PPolyproline II helixtrans-71149.3-179-74.2-63.6134.800110.6S302 E303 F397E300-S302 PolarHBondContact O-N 3.34Å; E300-E303 HydrophobicContact CB-CG 4.06Å; E300-E303 PolarHBondContact N-OE2 2.68Å; E300-E303 WeakPolarHBondContact O-CB 3.4Å; E300-E303 PolarHBondContact O-N 3.37Å; E300-F397 WeakPolarHBondContact OE1-CZ 3.41Å
301Y87.3Confident93.3Very high115 Ų11551.4 Ų51.445%0.45130%0.299SS..THydrogen-bonded Turntrans-58.9-25.3-178.166.6-85.3000113.2P285 E303P285-Y301 HydrophobicContact CB-CD1 4.16Å; P285-Y301 HydrophobicContact CB-CD2 4.4Å; P285-Y301 HydrophobicContact CB-CE1 3.93Å; P285-Y301 HydrophobicContact CB-CE2 4.17Å; P285-Y301 HydrophobicContact CB-CG 4.4Å; Y301-E303 VanDerWaalsContact C-N 3.32Å
302S88.1Confident93.1Very high90 Ų9052.6 Ų52.663%0.62930%0.301SS*.THydrogen-bonded Turntrans-80.8-8.8176.257.90000114.2E300E300-S302 PolarHBondContact O-N 3.34Å
303E88.8Confident92.7Very high25 Ų2554.5 Ų54.512%0.11731%0.313CS..THydrogen-bonded Turntrans-92.4-26.2-177.7-63.9-178.2151.700112.5I58 V299 E300 Y301 R363I58-E303 HydrophobicContact CD1-CB 4.47Å; I58-E303 WeakPolarHBondContact CG2-O 3.45Å; V299-E303 HydrophobicContact CG1-CB 3.84Å; E300-E303 HydrophobicContact CB-CG 4.06Å; E300-E303 PolarHBondContact N-OE2 2.68Å; E300-E303 WeakPolarHBondContact O-CB 3.4Å; E300-E303 PolarHBondContact O-N 3.37Å; Y301-E303 VanDerWaalsContact C-N 3.32Å; E303-R363 IonicContact OE1-CZ 2.78Å; E303-R363 IonicContact OE1-NH1 3Å; E303-R363 IonicContact OE1-NH2 3.91Å; E303-R363 PolarHBondContact OE1-NH2 2.98Å
304I90.2Very high92.2Very high15 Ų1551 Ų518%0.07729%0.294CS..SBendtrans-95.8149178.957.9178.7000112L62 V299 T308 A309L62-I304 HydrophobicContact CD2-CG2 3.6Å; V299-I304 HydrophobicContact CG1-CG2 3.56Å; I304-T308 HydrophobicContact CB-CG2 4.38Å; I304-T308 HydrophobicContact CG2-CG2 4.45Å; I304-A309 HydrophobicContact CD1-CB 3.67Å; I304-A309 HydrophobicContact CG1-CB 4.12Å
305S92.8Very high91.1Very high39 Ų3952.3 Ų52.327%0.27328%0.283SS..  trans-68.7154.7173720000111.8D59 V307 T308 A309D59-S305 WeakPolarHBondContact OD1-CB 3.44Å; D59-S305 PolarHBondContact OD1-N 3.05Å; D59-S305 PolarHBondContact OD1-OG 3.01Å; S305-V307 PolarHBondContact O-N 3.2Å; S305-V307 VanDerWaalsContact O-N 3.16Å; S305-T308 PolarHBondContact O-N 2.92Å; S305-T308 PolarHBondContact OG-N 2.89Å; S305-T308 PolarHBondContact OG-OG1 2.86Å; S305-A309 WeakPolarHBondContact O-CB 3.42Å; S305-A309 PolarHBondContact O-N 3.07Å
306P93.3Very high89.7Confident106 Ų10652.2 Ų52.269%0.68828%0.279SS*.Hα-helixtrans-55.9-30.7172.9-26.635.2000113.4S310P306-S310 VanDerWaalsContact O-CB 3.28Å; P306-S310 WeakPolarHBondContact O-CB 3.43Å; P306-S310 PolarHBondContact O-N 3.23Å; P306-S310 VanDerWaalsContact O-N 3.14Å; P306-S310 PolarHBondContact O-OG 3.19Å
307V93.3Very high88.1Confident111 Ų11154.3 Ų54.367%0.67329%0.294SS*.Hα-helixtrans-65.5-53.7176.9177.30000110.1S305 A309 S310 L311S305-V307 PolarHBondContact O-N 3.2Å; S305-V307 VanDerWaalsContact O-N 3.16Å; V307-A309 VanDerWaalsContact C-N 3.34Å; V307-A309 PolarHBondContact O-N 3.33Å; V307-S310 PolarHBondContact O-N 2.88Å; V307-S310 VanDerWaalsContact O-N 3.12Å; V307-L311 PolarHBondContact O-N 2.86Å
308T93.7Very high86Confident14 Ų1456.2 Ų56.29%0.08631%0.311CS..Hα-helixtrans-61.5-41.6177.7-60.40000111.8D59 L62 I304 S305 S310 L311 Y335D59-T308 WeakPolarHBondContact OD1-CB 3.2Å; D59-T308 PolarHBondContact OD1-OG1 3.04Å; L62-T308 HydrophobicContact CD2-CG2 4.31Å; I304-T308 HydrophobicContact CB-CG2 4.38Å; I304-T308 HydrophobicContact CG2-CG2 4.45Å; S305-T308 PolarHBondContact O-N 2.92Å; S305-T308 PolarHBondContact OG-N 2.89Å; S305-T308 PolarHBondContact OG-OG1 2.86Å; T308-S310 PolarHBondContact O-N 3.01Å; T308-L311 PolarHBondContact O-N 2.99Å; T308-Y335 HydrophobicContact CG2-CD2 4.07Å; T308-Y335 HydrophobicContact CG2-CE2 3.5Å; T308-Y335 VanDerWaalsContact CG2-CE2 3.5Å; T308-Y335 WeakPolarHBondContact O-CD2 3.42Å
309A94Very high83.8Confident12 Ų1265.1 Ų65.110%0.09935%0.352CS..Hα-helixtrans-61.7-26.1176.900000113.5P282 I304 S305 V307P282-A309 HydrophobicContact CB-CB 4.45Å; I304-A309 HydrophobicContact CD1-CB 3.67Å; I304-A309 HydrophobicContact CG1-CB 4.12Å; S305-A309 WeakPolarHBondContact O-CB 3.42Å; S305-A309 PolarHBondContact O-N 3.07Å; V307-A309 VanDerWaalsContact C-N 3.34Å; V307-A309 PolarHBondContact O-N 3.33Å
310S94.3Very high81.2Confident52 Ų5271.7 Ų71.736%0.36439%0.387SS..THydrogen-bonded Turntrans-96.1-2.7-176.5-57.10000114.1P306 V307 T308 R312P306-S310 VanDerWaalsContact O-CB 3.28Å; P306-S310 WeakPolarHBondContact O-CB 3.43Å; P306-S310 PolarHBondContact O-N 3.23Å; P306-S310 VanDerWaalsContact O-N 3.14Å; P306-S310 PolarHBondContact O-OG 3.19Å; V307-S310 PolarHBondContact O-N 2.88Å; V307-S310 VanDerWaalsContact O-N 3.12Å; T308-S310 PolarHBondContact O-N 3.01Å; S310-R312 PolarHBondContact O-N 3.09Å
311L93.4Very high78.5Confident50 Ų5077.1 Ų77.126%0.26242%0.418SS..  trans-59.9132.1179.8-71.3175.4000111.2V307 T308 L333 V334 Y335V307-L311 PolarHBondContact O-N 2.86Å; T308-L311 PolarHBondContact O-N 2.99Å; L311-L333 CarbonylContact O-C 3.16Å; L311-L333 WeakPolarHBondContact O-CA 3.5Å; L311-V334 HydrophobicContact CB-CB 4.14Å; L311-V334 HydrophobicContact CB-CG2 3.84Å; L311-V334 PolarHBondContact O-N 2.85Å; L311-Y335 HydrophobicContact CD1-CE2 4.12Å
312R92.5Very high76.2Confident45 Ų4576.1 Ų76.117%0.1743%0.433CS..BIsolated β-bridgetrans-109.8144.9-179.8-58.8-90.8178.3170.77.8110.4S310 N314 Q315 Y316 E329 S331 R332S310-R312 PolarHBondContact O-N 3.09Å; R312-N314 VanDerWaalsContact C-N 3.32Å; R312-N314 WeakPolarHBondContact CB-OD1 3.11Å; R312-N314 PolarHBondContact O-N 3.24Å; R312-Q315 HydrophobicContact CB-CG 4.33Å; R312-Q315 WeakPolarHBondContact O-CB 3.44Å; R312-Q315 PolarHBondContact O-N 3.32Å; R312-Y316 PolarHBondContact O-N 3.16Å; R312-E329 PolarHBondContact NH1-O 3.35Å; R312-E329 PolarHBondContact NH2-O 3.35Å; R312-S331 WeakPolarHBondContact CD-O 3.43Å; R312-S331 PolarHBondContact NH1-O 3.36Å; R312-R332 WeakPolarHBondContact CA-O 3.38Å
313V87.5Confident74.3Confident51 Ų5179.4 Ų79.431%0.30944%0.438SS..Hα-helixtrans-55.2-44.8-176.5174.30000112.4Q315 Y316 D317 R332V313-Q315 PolarHBondContact O-N 3.01Å; V313-Y316 PolarHBondContact O-N 2.73Å; V313-D317 PolarHBondContact O-N 3.47Å; V313-R332 HydrophobicContact CG2-CB 4.29Å; V313-R332 WeakPolarHBondContact CG2-O 3.37Å; V313-R332 PolarHBondContact N-O 2.97Å
314N80.3Confident72.4Confident35 Ų3583.5 Ų83.519%0.18746%0.461CS..Hα-helixtrans-61.3-25.5177.460.9-8.3000114.4R312 D327 S331R312-N314 VanDerWaalsContact C-N 3.32Å; R312-N314 WeakPolarHBondContact CB-OD1 3.11Å; R312-N314 PolarHBondContact O-N 3.24Å; N314-D327 PolarHBondContact ND2-O 2.92Å; N314-S331 VanDerWaalsContact CG-CB 3.48Å; N314-S331 WeakPolarHBondContact ND2-CB 3.1Å; N314-S331 PolarHBondContact OD1-OG 3.1Å
315Q72.7Confident70.5Confident96 Ų9687.5 Ų87.545%0.44949%0.488SS..Hα-helixtrans-84.3-36.6173.6-64171.1-10.900111R312 V313 S318R312-Q315 HydrophobicContact CB-CG 4.33Å; R312-Q315 WeakPolarHBondContact O-CB 3.44Å; R312-Q315 PolarHBondContact O-N 3.32Å; V313-Q315 PolarHBondContact O-N 3.01Å; Q315-S318 PolarHBondContact O-N 2.91Å; Q315-S318 PolarHBondContact O-OG 2.86Å
316Y65.5Low68.5Low97 Ų9792.8 Ų92.838%0.3851%0.513SS..Hα-helixtrans-69.2-40.4-177.2-167.1-95.1000113.2P64 R312 V313 S318 V334P64-Y316 WeakPolarHBondContact CD-OH 3.13Å; P64-Y316 HydrophobicContact CG-CE1 4.12Å; R312-Y316 PolarHBondContact O-N 3.16Å; V313-Y316 PolarHBondContact O-N 2.73Å; Y316-S318 VanDerWaalsContact C-N 3.29Å; Y316-S318 PolarHBondContact O-N 2.87Å; Y316-V334 VanDerWaalsContact CB-CG2 3.46Å; Y316-V334 HydrophobicContact CD1-CG1 4.5Å; Y316-V334 HydrophobicContact CD1-CG2 4.46Å; Y316-V334 HydrophobicContact CD2-CB 4.48Å; Y316-V334 HydrophobicContact CD2-CG1 3.96Å; Y316-V334 HydrophobicContact CD2-CG2 3.76Å; Y316-V334 HydrophobicContact CE2-CG1 4.05Å; Y316-V334 HydrophobicContact CG-CG1 4.19Å; Y316-V334 HydrophobicContact CG-CG2 3.65Å
317D63.4Low66.7Low99 Ų9992.7 Ų92.753%0.52951%0.507SS..SBendtrans-78.9-8.5179.9-71-25.1000113.6V313 H319 N320V313-D317 PolarHBondContact O-N 3.47Å; D317-H319 PolarHBondContact O-N 2.87Å; D317-N320 PolarHBondContact O-N 2.82Å
318S51.8Low64.8Low78 Ų7889.5 Ų89.555%0.54549%0.489SS..THydrogen-bonded Turntrans-72.111.6-168.773.30000116.8Q315 Y316 N320Q315-S318 PolarHBondContact O-N 2.91Å; Q315-S318 PolarHBondContact O-OG 2.86Å; Y316-S318 VanDerWaalsContact C-N 3.29Å; Y316-S318 PolarHBondContact O-N 2.87Å; S318-N320 PolarHBondContact O-N 3.29Å
319H49.2Very low63.3Low193 Ų19396.4 Ų96.489%0.89452%0.52SS*.THydrogen-bonded Turntrans-66.6-7.1151-86.5-57.8000112.8D317D317-H319 PolarHBondContact O-N 2.87Å
320N40Very low62.1Low139 Ų139101 Ų10174%0.74355%0.547SS*.SBendtrans-116.9129163.5-72.6-46.1000111.1D317 S318D317-N320 PolarHBondContact O-N 2.82Å; S318-N320 PolarHBondContact O-N 3.29Å
321N35.4Very low61.7Low158 Ų15899.6 Ų99.685%0.84554%0.538SS*.  trans-45146.1-166.5-70.1-49.1000119.7
322A40.4Very low61.6Low93 Ų93100.3 Ų100.377%0.76954%0.537SS*.  trans70.988.2147.400000119.2
323H47.6Very low61.8Low159 Ų15998.3 Ų98.374%0.73653%0.53SS*.  trans-129.8150.5163-84.540000112.5
324N49.6Very low62.1Low112 Ų11296.4 Ų96.460%0.59952%0.518SS*.  trans-74.2124-174.3-169.3-6.2000111.2N326 D327N324-N326 PolarHBondContact O-N 3.22Å; N324-N326 VanDerWaalsContact O-N 3.11Å; N324-D327 PolarHBondContact O-N 3.37Å
325P50.3Low62.8Low99 Ų9995.3 Ų95.364%0.64351%0.511SS*.G310 helixtrans-62.8-17.9-173.521-32.9000115.5D327 S328P325-D327 VanDerWaalsContact C-N 3.29Å; P325-D327 PolarHBondContact O-N 2.86Å; P325-S328 WeakPolarHBondContact O-CB 3.12Å; P325-S328 PolarHBondContact O-OG 2.81Å
326N50.9Low63.9Low149 Ų14990.8 Ų90.880%0.79749%0.49SS*.G310 helixtrans-76.2-9.7-178.6-72.3-11.8000114.7N324N324-N326 PolarHBondContact O-N 3.22Å; N324-N326 VanDerWaalsContact O-N 3.11Å
327D53.7Low65.5Low105 Ų10587.2 Ų87.256%0.56148%0.477SS*.G310 helixtrans-97.512.4177.5-119.3-16.7000112.6N314 N324 P325 T330 S331N314-D327 PolarHBondContact ND2-O 2.92Å; N324-D327 PolarHBondContact O-N 3.37Å; P325-D327 VanDerWaalsContact C-N 3.29Å; P325-D327 PolarHBondContact O-N 2.86Å; D327-T330 PolarHBondContact O-OG1 3.12Å; D327-T330 PolarHBondContact OD1-OG1 3.16Å; D327-S331 PolarHBondContact O-N 2.89Å
328S55.2Low67.1Low43 Ų4382.5 Ų82.530%0.30145%0.452SS..THydrogen-bonded Turntrans-71.2-33.3-170.465.90000114.4P325P325-S328 WeakPolarHBondContact O-CB 3.12Å; P325-S328 PolarHBondContact O-OG 2.81Å
329E60.3Low69.3Low160 Ų16079.4 Ų79.475%0.74843%0.429SS*.THydrogen-bonded Turntrans-86.3-16.8-177.8-70.6-163.4162.200114R312R312-E329 PolarHBondContact NH1-O 3.35Å; R312-E329 PolarHBondContact NH2-O 3.35Å
330T70.7Confident71.6Confident107 Ų10770.8 Ų70.866%0.65639%0.389SS*.THydrogen-bonded Turntrans-96.3-19.9-177.449.30000112.9D327D327-T330 PolarHBondContact O-OG1 3.12Å; D327-T330 PolarHBondContact OD1-OG1 3.16Å
331S84.9Confident74.4Confident24 Ų2464.8 Ų64.817%0.16836%0.358CS..SBendtrans-60.1148.4178.8175.40000112.5R312 N314 D327R312-S331 WeakPolarHBondContact CD-O 3.43Å; R312-S331 PolarHBondContact NH1-O 3.36Å; N314-S331 VanDerWaalsContact CG-CB 3.48Å; N314-S331 WeakPolarHBondContact ND2-CB 3.1Å; N314-S331 PolarHBondContact OD1-OG 3.1Å; D327-S331 PolarHBondContact O-N 2.89Å
332R92.3Very high77.4Confident65 Ų6557.3 Ų57.325%0.24532%0.318CS..PPolyproline II helixtrans-57.1142.8173.6-173172171.9103.2-3.7111.4R312 V313 S336 E410R312-R332 WeakPolarHBondContact CA-O 3.38Å; V313-R332 HydrophobicContact CG2-CB 4.29Å; V313-R332 WeakPolarHBondContact CG2-O 3.37Å; V313-R332 PolarHBondContact N-O 2.97Å; R332-S336 PolarHBondContact NE-OG 3.37Å; R332-S336 PolarHBondContact NH2-OG 3.32Å; R332-E410 IonicContact CZ-OE1 3.22Å; R332-E410 IonicContact CZ-OE2 3.21Å; R332-E410 IonicContact NH1-OE1 2.77Å; R332-E410 PolarHBondContact NH1-OE1 3.19Å; R332-E410 IonicContact NH1-OE2 3.42Å; R332-E410 PolarHBondContact NH1-OE2 2.79Å; R332-E410 IonicContact NH2-OE1 3.51Å; R332-E410 PolarHBondContact NH2-OE1 3.35Å; R332-E410 IonicContact NH2-OE2 3.03Å; R332-E410 PolarHBondContact NH2-OE2 2.93Å
333L94.9Very high80.1Confident3 Ų353 Ų532%0.01628%0.282CS..BIsolated β-bridgetrans-67.7146.8171.6-62.7173.8000110.3K279 P282 L311 Y335 S336K279-L333 HydrophobicContact CG-CD1 4.28Å; P282-L333 HydrophobicContact CG-CD1 4.3Å; P282-L333 HydrophobicContact CG-CD2 3.92Å; L311-L333 CarbonylContact O-C 3.16Å; L311-L333 WeakPolarHBondContact O-CA 3.5Å; L333-Y335 VanDerWaalsContact C-N 3.34Å; L333-S336 VanDerWaalsContact O-CB 3.29Å; L333-S336 WeakPolarHBondContact O-CB 3.2Å; L333-S336 PolarHBondContact O-OG 2.76Å
334V94.9Very high82.6Confident10 Ų1045.4 Ų45.46%0.06125%0.247CC..THydrogen-bonded Turntrans-62-46174.4174.30000110.2P64 L311 Y316 S336P64-V334 HydrophobicContact CB-CG1 3.92Å; P64-V334 HydrophobicContact CG-CG1 3.9Å; L311-V334 HydrophobicContact CB-CB 4.14Å; L311-V334 HydrophobicContact CB-CG2 3.84Å; L311-V334 PolarHBondContact O-N 2.85Å; Y316-V334 VanDerWaalsContact CB-CG2 3.46Å; Y316-V334 HydrophobicContact CD1-CG1 4.5Å; Y316-V334 HydrophobicContact CD1-CG2 4.46Å; Y316-V334 HydrophobicContact CD2-CB 4.48Å; Y316-V334 HydrophobicContact CD2-CG1 3.96Å; Y316-V334 HydrophobicContact CD2-CG2 3.76Å; Y316-V334 HydrophobicContact CE2-CG1 4.05Å; Y316-V334 HydrophobicContact CG-CG1 4.19Å; Y316-V334 HydrophobicContact CG-CG2 3.65Å; V334-S336 PolarHBondContact O-N 2.85Å
335Y95.4Very high84.9Confident13 Ų1340.1 Ų40.15%0.05122%0.219CC..THydrogen-bonded Turntrans-99.368.1177.1-50.7-72.1000110.2L62 P64 V288 T308 L311 L333L62-Y335 HydrophobicContact CD1-CD1 4.45Å; L62-Y335 HydrophobicContact CD1-CE1 4.18Å; L62-Y335 HydrophobicContact CD2-CD1 3.98Å; L62-Y335 HydrophobicContact CD2-CD2 4.45Å; L62-Y335 HydrophobicContact CD2-CE1 3.82Å; L62-Y335 HydrophobicContact CD2-CE2 4.3Å; L62-Y335 HydrophobicContact CD2-CG 4.29Å; L62-Y335 HydrophobicContact CG-CD1 4Å; L62-Y335 HydrophobicContact CG-CE1 3.47Å; L62-Y335 VanDerWaalsContact CG-CE1 3.47Å; L62-Y335 PolarHBondContact O-OH 3.42Å; P64-Y335 HydrophobicContact CB-CE1 4.43Å; V288-Y335 WeakPolarHBondContact CG1-O 3.48Å; T308-Y335 HydrophobicContact CG2-CD2 4.07Å; T308-Y335 HydrophobicContact CG2-CE2 3.5Å; T308-Y335 VanDerWaalsContact CG2-CE2 3.5Å; T308-Y335 WeakPolarHBondContact O-CD2 3.42Å; L311-Y335 HydrophobicContact CD1-CE2 4.12Å; L333-Y335 VanDerWaalsContact C-N 3.34Å
336S95.6Very high87.3Confident1 Ų136.2 Ų36.21%0.00719%0.193CC..  trans-97.2-11.3-174.960.30000114.7V277 Q278 K279 R332 L333 V334 G338V277-S336 VanDerWaalsContact O-O 3.1Å; Q278-S336 CarbonylContact C-O 3.6Å; Q278-S336 WeakPolarHBondContact CA-O 3.48Å; K279-S336 PolarHBondContact N-O 3.01Å; R332-S336 PolarHBondContact NE-OG 3.37Å; R332-S336 PolarHBondContact NH2-OG 3.32Å; L333-S336 VanDerWaalsContact O-CB 3.29Å; L333-S336 WeakPolarHBondContact O-CB 3.2Å; L333-S336 PolarHBondContact O-OG 2.76Å; V334-S336 PolarHBondContact O-N 2.85Å; S336-G338 VanDerWaalsContact C-N 3.31Å; S336-G338 PolarHBondContact O-N 3.42Å
337H97.8Very high89.5Confident22 Ų2231.6 Ų31.610%0.10217%0.165CC..EExtended strand (participates in β ladder)trans-76.379.1-176.2-61.3117.3000111.1V276 V288 V289 N339 I408 E410V276-H337 HydrophobicContact CB-CB 4.37Å; V276-H337 HydrophobicContact CG1-CB 4.31Å; V276-H337 HydrophobicContact CG2-CB 4.1Å; V288-H337 CarbonylContact C-O 3.44Å; V288-H337 VanDerWaalsContact CA-O 3.29Å; V288-H337 WeakPolarHBondContact CA-O 3.45Å; V289-H337 HydrophobicContact CB-CB 4.22Å; V289-H337 PolarHBondContact N-O 2.89Å; H337-N339 PolarHBondContact O-N 3.21Å; H337-I408 HydrophobicContact CB-CG2 4.48Å; H337-E410 IonicContact CD2-OE2 2.68Å
338G97.9Very high91.7Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-69.4116.8-178.800000112.1V276 V277 S336 I340V276-G338 WeakPolarHBondContact CA-O 3.2Å; V276-G338 VanDerWaalsContact CB-O 3.25Å; V276-G338 WeakPolarHBondContact CB-O 3.39Å; V277-G338 PolarHBondContact N-O 2.89Å; V277-G338 WeakPolarHBondContact O-CA 3.49Å; V277-G338 PolarHBondContact O-N 2.97Å; S336-G338 VanDerWaalsContact C-N 3.31Å; S336-G338 PolarHBondContact O-N 3.42Å; G338-I340 PolarHBondContact O-N 2.92Å
339N98.1Very high93.7Very high12 Ų1228.1 Ų28.16%0.06415%0.148CC..EExtended strand (participates in β ladder)trans-72114.6-179.8168.555.4000110.8L286 G287 V289 V298 H337 C341 H343 F397L286-N339 VanDerWaalsContact CD1-O 3.29Å; L286-N339 WeakPolarHBondContact CD1-O 3.4Å; G287-N339 PolarHBondContact O-N 2.9Å; V289-N339 HydrophobicContact CG2-CB 4.16Å; V298-N339 HydrophobicContact CG1-CB 4.04Å; V298-N339 HydrophobicContact CG2-CB 3.78Å; H337-N339 PolarHBondContact O-N 3.21Å; N339-C341 PolarHBondContact OD1-N 3.43Å; N339-H343 PolarHBondContact OD1-NE2 2.85Å; N339-H343 VanDerWaalsContact OD1-NE2 3.09Å; N339-F397 WeakPolarHBondContact ND2-CD1 3.23Å
340I97.8Very high95.6Very high13 Ų1320.5 Ų20.57%0.06711%0.112CC..EExtended strand (participates in β ladder)trans-96.911.9178.761.4165.1000113.3E275 V277 G338 V342 V411 F417E275-I340 HydrophobicContact CG-CD1 4.14Å; E275-I340 VanDerWaalsContact O-CG1 3.28Å; E275-I340 WeakPolarHBondContact O-CG1 3.27Å; V277-I340 HydrophobicContact CB-CG2 4.27Å; V277-I340 HydrophobicContact CG1-CD1 4.34Å; V277-I340 HydrophobicContact CG1-CG2 3.92Å; V277-I340 HydrophobicContact CG2-CG2 3.57Å; G338-I340 PolarHBondContact O-N 2.92Å; I340-V342 VanDerWaalsContact C-N 3.26Å; I340-V342 HydrophobicContact CD1-CB 4.34Å; I340-V342 HydrophobicContact CD1-CG2 4.01Å; I340-V342 HydrophobicContact CG1-CB 4.22Å; I340-V342 HydrophobicContact CG1-CG2 4.1Å; I340-V342 PolarHBondContact O-N 2.86Å; I340-V411 HydrophobicContact CD1-CG2 4.41Å; I340-F417 HydrophobicContact CB-CD2 3.69Å; I340-F417 HydrophobicContact CB-CE2 3.7Å; I340-F417 HydrophobicContact CB-CG 4.32Å; I340-F417 HydrophobicContact CB-CZ 4.32Å; I340-F417 HydrophobicContact CD1-CB 4.45Å; I340-F417 HydrophobicContact CD1-CD2 4.3Å; I340-F417 HydrophobicContact CG2-CB 4.39Å; I340-F417 HydrophobicContact CG2-CD1 3.86Å; I340-F417 HydrophobicContact CG2-CD2 3.49Å; I340-F417 VanDerWaalsContact CG2-CD2 3.49Å; I340-F417 HydrophobicContact CG2-CE1 3.89Å; I340-F417 HydrophobicContact CG2-CE2 3.54Å; I340-F417 HydrophobicContact CG2-CG 3.65Å; I340-F417 HydrophobicContact CG2-CZ 3.73Å
341C97.5Very high96.9Very high13 Ų1318 Ų189%0.0889%0.093CC..EExtended strand (participates in β ladder)trans57.436.3-178.5-150.40000114Y247 C248 N339Y247-C341 WeakPolarHBondContact CA-O 3.15Å; C248-C341 VanDerWaalsContact SG-SG 3.64Å; N339-C341 PolarHBondContact OD1-N 3.43Å
342V98.8Very high97.5Very high1 Ų120.3 Ų20.31%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-111.9115.6167.9177.70000107.4Q245 I246 V254 F261 E275 I340Q245-V342 HydrophobicContact CG-CG1 4.18Å; I246-V342 CarbonylContact O-C 3.51Å; I246-V342 WeakPolarHBondContact O-CA 3.45Å; V254-V342 HydrophobicContact CG2-CG2 4.06Å; F261-V342 HydrophobicContact CE1-CG1 4.37Å; E275-V342 HydrophobicContact CB-CB 3.95Å; E275-V342 HydrophobicContact CB-CG1 3.92Å; E275-V342 HydrophobicContact CG-CG1 4.47Å; E275-V342 PolarHBondContact N-O 2.54Å; I340-V342 VanDerWaalsContact C-N 3.26Å; I340-V342 HydrophobicContact CD1-CB 4.34Å; I340-V342 HydrophobicContact CD1-CG2 4.01Å; I340-V342 HydrophobicContact CG1-CB 4.22Å; I340-V342 HydrophobicContact CG1-CG2 4.1Å; I340-V342 PolarHBondContact O-N 2.86Å
343H98.9Very high97.8Very high1 Ų117.2 Ų17.21%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-129.2140.7-169.9-49.3144.1000111Q245 I246 A273 N339 F400Q245-H343 CarbonylContact C-O 3.56Å; Q245-H343 VanDerWaalsContact CA-O 3.29Å; Q245-H343 WeakPolarHBondContact CA-O 3.3Å; I246-H343 HydrophobicContact CB-CB 4.37Å; I246-H343 PolarHBondContact N-O 2.85Å; I246-H343 PolarHBondContact O-N 2.9Å; A273-H343 CarbonylContact O-C 3.32Å; A273-H343 VanDerWaalsContact O-CA 3.29Å; A273-H343 WeakPolarHBondContact O-CA 3.42Å; N339-H343 PolarHBondContact OD1-NE2 2.85Å; N339-H343 VanDerWaalsContact OD1-NE2 3.09Å; H343-F400 AromaticContact CD2-CE1 4Å; H343-F400 AromaticContact CD2-CZ 3.49Å; H343-F400 VanDerWaalsContact CD2-CZ 3.49Å; H343-F400 WeakPolarHBondContact CD2-CZ 3.32Å; H343-F400 AromaticContact CE1-CZ 3.95Å; H343-F400 AromaticContact NE2-CZ 3.45Å; H343-F400 WeakPolarHBondContact NE2-CZ 3.49Å
344F98.9Very high97.9Very high1 Ų117.1 Ų17.10%0.0049%0.086CC..EExtended strand (participates in β ladder)trans-95.6139.6165.7172.8-83.7000108.8Y243 F261 I262 C265 V266 A270 C272 A273 T346Y243-F344 AromaticContact CD1-CE2 3.92Å; Y243-F344 HydrophobicContact CD1-CE2 3.92Å; Y243-F344 AromaticContact CD1-CZ 3.46Å; Y243-F344 HydrophobicContact CD1-CZ 3.46Å; Y243-F344 VanDerWaalsContact CD1-CZ 3.46Å; Y243-F344 HydrophobicContact CE1-CZ 4.21Å; Y243-F344 AromaticContact CG-CE2 3.95Å; Y243-F344 HydrophobicContact CG-CE2 3.95Å; Y243-F344 AromaticContact CG-CZ 3.99Å; Y243-F344 HydrophobicContact CG-CZ 3.99Å; F261-F344 HydrophobicContact CD1-CB 4.46Å; F261-F344 HydrophobicContact CE1-CB 3.68Å; F261-F344 HydrophobicContact CE2-CB 4.12Å; F261-F344 HydrophobicContact CZ-CB 3.48Å; F261-F344 VanDerWaalsContact CZ-CB 3.48Å; I262-F344 HydrophobicContact CG1-CD2 4.22Å; I262-F344 HydrophobicContact CG2-CE2 4.37Å; C265-F344 HydrophobicContact CB-CB 4.41Å; C265-F344 HydrophobicContact CB-CD1 3.6Å; C265-F344 HydrophobicContact CB-CD2 3.69Å; C265-F344 HydrophobicContact CB-CE1 3.62Å; C265-F344 HydrophobicContact CB-CE2 3.67Å; C265-F344 HydrophobicContact CB-CG 3.64Å; C265-F344 HydrophobicContact CB-CZ 3.63Å; V266-F344 HydrophobicContact CG2-CE2 4.49Å; V266-F344 HydrophobicContact CG2-CZ 4.46Å; A270-F344 HydrophobicContact CB-CD1 4.36Å; A270-F344 HydrophobicContact CB-CE1 4.23Å; C272-F344 CarbonylContact C-O 3.59Å; C272-F344 VanDerWaalsContact CA-O 3.24Å; C272-F344 WeakPolarHBondContact CA-O 3.4Å; A273-F344 HydrophobicContact CB-CB 4.18Å; A273-F344 PolarHBondContact N-O 2.73Å; A273-F344 PolarHBondContact O-N 3.44Å; F344-T346 HydrophobicContact CE1-CG2 4.03Å; F344-T346 HydrophobicContact CZ-CG2 4.38Å
345T98.9Very high98Very high1 Ų120.8 Ų20.81%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-140.8147.6169.559.10000110.1V244 I246 D271 F349 L350V244-T345 PolarHBondContact N-O 2.88Å; V244-T345 PolarHBondContact O-N 2.86Å; V244-T345 PolarHBondContact O-OG1 3.28Å; I246-T345 HydrophobicContact CD1-CG2 3.95Å; D271-T345 WeakPolarHBondContact O-CA 2.87Å; T345-F349 HydrophobicContact CG2-CD1 3.8Å; T345-F349 HydrophobicContact CG2-CE1 4.04Å; T345-L350 HydrophobicContact CG2-CD2 4.03Å
346T98.9Very high97.7Very high17 Ų1724.7 Ų24.710%0.10412%0.124CC..EExtended strand (participates in β ladder)trans-79.8150.9162.464.90000109.9E242 Y243 A270 D271 F344 S348 F349 L350E242-T346 CarbonylContact O-C 3.46Å; E242-T346 VanDerWaalsContact O-CA 3.27Å; E242-T346 WeakPolarHBondContact O-CA 3.26Å; Y243-T346 HydrophobicContact CD1-CG2 4.33Å; Y243-T346 HydrophobicContact CE1-CG2 4.49Å; A270-T346 VanDerWaalsContact O-CG2 3.28Å; A270-T346 WeakPolarHBondContact O-CG2 3.28Å; D271-T346 PolarHBondContact O-N 2.9Å; F344-T346 HydrophobicContact CE1-CG2 4.03Å; F344-T346 HydrophobicContact CZ-CG2 4.38Å; T346-S348 PolarHBondContact O-N 2.88Å; T346-S348 PolarHBondContact OG1-OG 2.94Å; T346-F349 WeakPolarHBondContact O-CB 3.28Å; T346-F349 PolarHBondContact O-N 3.3Å; T346-F349 VanDerWaalsContact O-N 3.08Å; T346-F349 VanDerWaalsContact OG1-CB 3.29Å; T346-F349 WeakPolarHBondContact OG1-CB 3.45Å; T346-F349 PolarHBondContact OG1-N 3.33Å; T346-L350 PolarHBondContact O-N 2.93Å
347R98.8Very high97.5Very high52 Ų5228.5 Ų28.520%0.19615%0.145CC..Hα-helixtrans-54.5-40170.1178.3179.950.971.17111.2M236 I241 E242 F349 L350 E351M236-R347 HydrophobicContact CB-CG 4.39Å; I241-R347 WeakPolarHBondContact O-CD 3.49Å; I241-R347 PolarHBondContact O-NE 3.45Å; E242-R347 PolarHBondContact O-N 3.35Å; R347-F349 VanDerWaalsContact C-N 3.32Å; R347-F349 PolarHBondContact O-N 3.08Å; R347-L350 WeakPolarHBondContact O-CB 3.45Å; R347-L350 PolarHBondContact O-N 3.28Å; R347-L350 VanDerWaalsContact O-N 3.17Å; R347-E351 HydrophobicContact CG-CG 4.29Å; R347-E351 IonicContact CZ-OE1 3.27Å; R347-E351 VanDerWaalsContact NH1-CD 3.25Å; R347-E351 IonicContact NH1-OE1 2.74Å; R347-E351 PolarHBondContact NH1-OE1 3.4Å; R347-E351 IonicContact NH1-OE2 2.79Å; R347-E351 PolarHBondContact NH1-OE2 3.06Å; R347-E351 WeakPolarHBondContact O-CG 3.39Å; R347-E351 PolarHBondContact O-N 3.38Å
348S98.6Very high97.3Very high72 Ų7228.3 Ų28.350%0.50314%0.144SC..Hα-helixtrans-65.2-32.8178.4580000113.4T346 R352T346-S348 PolarHBondContact O-N 2.88Å; T346-S348 PolarHBondContact OG1-OG 2.94Å; S348-R352 WeakPolarHBondContact O-CB 3.29Å; S348-R352 PolarHBondContact O-N 3.33Å
349F98.8Very high96.9Very high2 Ų229.3 Ų29.31%0.00915%0.149CC..Hα-helixtrans-65.9-47.6170.6176.5-104000110.6D271 C272 T345 T346 R347 R352 V353 V399 F402 A403D271-F349 HydrophobicContact CB-CB 4.2Å; D271-F349 HydrophobicContact CB-CD2 4.27Å; D271-F349 VanDerWaalsContact O-CB 3.26Å; D271-F349 WeakPolarHBondContact O-CB 3.32Å; D271-F349 WeakPolarHBondContact O-CG 3.21Å; C272-F349 HydrophobicContact CB-CD1 4.09Å; C272-F349 HydrophobicContact CB-CD2 4.47Å; C272-F349 HydrophobicContact CB-CE1 3.78Å; C272-F349 HydrophobicContact CB-CE2 4.23Å; C272-F349 HydrophobicContact CB-CG 4.42Å; C272-F349 HydrophobicContact CB-CZ 3.85Å; T345-F349 HydrophobicContact CG2-CD1 3.8Å; T345-F349 HydrophobicContact CG2-CE1 4.04Å; T346-F349 WeakPolarHBondContact O-CB 3.28Å; T346-F349 PolarHBondContact O-N 3.3Å; T346-F349 VanDerWaalsContact O-N 3.08Å; T346-F349 VanDerWaalsContact OG1-CB 3.29Å; T346-F349 WeakPolarHBondContact OG1-CB 3.45Å; T346-F349 PolarHBondContact OG1-N 3.33Å; R347-F349 VanDerWaalsContact C-N 3.32Å; R347-F349 PolarHBondContact O-N 3.08Å; F349-R352 WeakPolarHBondContact O-CB 3.24Å; F349-R352 PolarHBondContact O-N 3.29Å; F349-R352 VanDerWaalsContact O-N 3.14Å; F349-V353 HydrophobicContact CD1-CG1 4.43Å; F349-V353 HydrophobicContact CD1-CG2 4.42Å; F349-V353 HydrophobicContact CD2-CG1 4.13Å; F349-V353 HydrophobicContact CE1-CG1 3.98Å; F349-V353 HydrophobicContact CE1-CG2 4.22Å; F349-V353 HydrophobicContact CE2-CG1 3.59Å; F349-V353 HydrophobicContact CZ-CG1 3.54Å; F349-V353 WeakPolarHBondContact O-CG2 3.19Å; F349-V353 PolarHBondContact O-N 3.41Å; F349-V399 HydrophobicContact CE1-CB 4.14Å; F349-V399 HydrophobicContact CE1-CG2 3.75Å; F349-V399 HydrophobicContact CZ-CB 3.98Å; F349-V399 HydrophobicContact CZ-CG2 3.97Å; F349-F402 HydrophobicContact CE2-CB 4.47Å; F349-A403 HydrophobicContact CE2-CB 4.08Å; F349-A403 HydrophobicContact CZ-CB 4.39Å
350L98.8Very high96.4Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-57.8-49.1176.3-63.8177.8000111.9Y224 L227 L233 M236 V244 I246 T345 T346 R347 R352 V353 C354Y224-L350 HydrophobicContact CD1-CD2 4.22Å; Y224-L350 HydrophobicContact CE1-CD2 3.78Å; L227-L350 HydrophobicContact CD1-CD1 4.16Å; L227-L350 HydrophobicContact CD1-CD2 4.09Å; L233-L350 HydrophobicContact CD2-CB 3.73Å; M236-L350 HydrophobicContact CE-CD1 4.39Å; M236-L350 HydrophobicContact SD-CD1 4.23Å; V244-L350 HydrophobicContact CB-CD1 4.16Å; V244-L350 HydrophobicContact CG2-CD1 3.92Å; I246-L350 HydrophobicContact CD1-CD2 4.38Å; T345-L350 HydrophobicContact CG2-CD2 4.03Å; T346-L350 PolarHBondContact O-N 2.93Å; R347-L350 WeakPolarHBondContact O-CB 3.45Å; R347-L350 PolarHBondContact O-N 3.28Å; R347-L350 VanDerWaalsContact O-N 3.17Å; L350-R352 PolarHBondContact O-N 3.3Å; L350-R352 VanDerWaalsContact O-N 3.16Å; L350-V353 PolarHBondContact O-N 2.98Å; L350-C354 VanDerWaalsContact O-CB 3.3Å; L350-C354 WeakPolarHBondContact O-CB 3.41Å; L350-C354 PolarHBondContact O-N 3.2Å; L350-C354 PolarHBondContact O-SG 3.3Å
351E98.5Very high96Very high54 Ų5440.9 Ų40.925%0.25220%0.202SC..Hα-helixtrans-54.1-36.2176.2-74.7171.216400112.6L233 R347 Q355L233-E351 HydrophobicContact CD1-CG 4.42Å; L233-E351 HydrophobicContact CD2-CG 4.48Å; R347-E351 HydrophobicContact CG-CG 4.29Å; R347-E351 IonicContact CZ-OE1 3.27Å; R347-E351 VanDerWaalsContact NH1-CD 3.25Å; R347-E351 IonicContact NH1-OE1 2.74Å; R347-E351 PolarHBondContact NH1-OE1 3.4Å; R347-E351 IonicContact NH1-OE2 2.79Å; R347-E351 PolarHBondContact NH1-OE2 3.06Å; R347-E351 WeakPolarHBondContact O-CG 3.39Å; R347-E351 PolarHBondContact O-N 3.38Å; E351-Q355 WeakPolarHBondContact O-CG 3.17Å; E351-Q355 PolarHBondContact O-NE2 2.67Å
352R98.1Very high95.5Very high73 Ų7340.6 Ų40.628%0.27520%0.199SC..Hα-helixtrans-75.8-48.7177.5179.8169.362.796.5-6.8112.4D271 S348 F349 L350 C354 Q355 F402D271-R352 IonicContact OD2-NH2 3.38Å; D271-R352 PolarHBondContact OD2-NH2 2.87Å; S348-R352 WeakPolarHBondContact O-CB 3.29Å; S348-R352 PolarHBondContact O-N 3.33Å; F349-R352 WeakPolarHBondContact O-CB 3.24Å; F349-R352 PolarHBondContact O-N 3.29Å; F349-R352 VanDerWaalsContact O-N 3.14Å; L350-R352 PolarHBondContact O-N 3.3Å; L350-R352 VanDerWaalsContact O-N 3.16Å; R352-C354 VanDerWaalsContact C-N 3.27Å; R352-C354 PolarHBondContact O-N 2.88Å; R352-Q355 WeakPolarHBondContact O-CB 3.31Å; R352-Q355 WeakPolarHBondContact O-CG 3.47Å; R352-Q355 PolarHBondContact O-N 2.82Å; R352-F402 PolarHBondContact NH1-O 2.86Å; R352-F402 PolarHBondContact NH2-O 3.47Å
353V97.8Very high94.8Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-73.4-20.9-176.5-60.20000113Y224 F349 L350 Q355 I358 Q359 V399 F402Y224-V353 HydrophobicContact CD1-CG2 3.8Å; Y224-V353 HydrophobicContact CE1-CG2 4.06Å; F349-V353 HydrophobicContact CD1-CG1 4.43Å; F349-V353 HydrophobicContact CD1-CG2 4.42Å; F349-V353 HydrophobicContact CD2-CG1 4.13Å; F349-V353 HydrophobicContact CE1-CG1 3.98Å; F349-V353 HydrophobicContact CE1-CG2 4.22Å; F349-V353 HydrophobicContact CE2-CG1 3.59Å; F349-V353 HydrophobicContact CZ-CG1 3.54Å; F349-V353 WeakPolarHBondContact O-CG2 3.19Å; F349-V353 PolarHBondContact O-N 3.41Å; L350-V353 PolarHBondContact O-N 2.98Å; V353-Q355 VanDerWaalsContact C-N 3.26Å; V353-Q355 PolarHBondContact O-N 2.69Å; V353-I358 HydrophobicContact CB-CG2 4.19Å; V353-I358 HydrophobicContact CG1-CG2 4.39Å; V353-Q359 PolarHBondContact O-NE2 2.97Å; V353-V399 HydrophobicContact CB-CB 4.45Å; V353-V399 HydrophobicContact CB-CG1 4.06Å; V353-V399 HydrophobicContact CG1-CB 4.3Å; V353-V399 HydrophobicContact CG1-CG1 4.44Å; V353-V399 HydrophobicContact CG2-CB 4.44Å; V353-V399 HydrophobicContact CG2-CG1 3.99Å; V353-F402 HydrophobicContact CG1-CB 3.93Å
354C97.7Very high94.4Very high1 Ų147.4 Ų47.41%0.00723%0.225CC..THydrogen-bonded Turntrans-79.5-2.2173.4-61.50000113.7Y224 K228 L233 L350 R352Y224-C354 PolarHBondContact O-SG 2.83Å; K228-C354 HydrophobicContact CB-CB 4.08Å; K228-C354 WeakPolarHBondContact CD-O 3.41Å; L233-C354 HydrophobicContact CD1-CB 3.85Å; L350-C354 VanDerWaalsContact O-CB 3.3Å; L350-C354 WeakPolarHBondContact O-CB 3.41Å; L350-C354 PolarHBondContact O-N 3.2Å; L350-C354 PolarHBondContact O-SG 3.3Å; R352-C354 VanDerWaalsContact C-N 3.27Å; R352-C354 PolarHBondContact O-N 2.88Å
355Q96Very high94Very high88 Ų8848 Ų4841%0.41123%0.228SC..SBendtrans-69.4147172.6-61.5-54.3-42.700111.4E351 R352 V353 D357 I358 Q359E351-Q355 WeakPolarHBondContact O-CG 3.17Å; E351-Q355 PolarHBondContact O-NE2 2.67Å; R352-Q355 WeakPolarHBondContact O-CB 3.31Å; R352-Q355 WeakPolarHBondContact O-CG 3.47Å; R352-Q355 PolarHBondContact O-N 2.82Å; V353-Q355 VanDerWaalsContact C-N 3.26Å; V353-Q355 PolarHBondContact O-N 2.69Å; Q355-D357 VanDerWaalsContact C-N 3.28Å; Q355-D357 VanDerWaalsContact CB-OD1 3.26Å; Q355-D357 WeakPolarHBondContact CB-OD1 3.27Å; Q355-D357 PolarHBondContact O-N 3.26Å; Q355-I358 PolarHBondContact O-N 2.97Å; Q355-I358 VanDerWaalsContact O-N 3.08Å; Q355-Q359 WeakPolarHBondContact O-CG 3.31Å; Q355-Q359 PolarHBondContact O-N 2.92Å
356D90.1Very high93.5Very high94 Ų9452 Ų5250%0.50324%0.243SC..Hα-helixtrans-65-33.4-169.1-58.6-28.5000112K228 I358 Q359 M360K228-D356 IonicContact NZ-OD1 3.87Å; K228-D356 PolarHBondContact NZ-OD1 3.04Å; K228-D356 IonicContact NZ-OD2 3.9Å; K228-D356 PolarHBondContact NZ-OD2 3.49Å; K228-D356 VanDerWaalsContact NZ-OD2 3.13Å; D356-I358 VanDerWaalsContact C-N 3.32Å; D356-I358 PolarHBondContact O-N 3.21Å; D356-Q359 PolarHBondContact O-N 2.98Å; D356-M360 WeakPolarHBondContact O-CB 3.18Å; D356-M360 WeakPolarHBondContact O-CE 3.42Å; D356-M360 VanDerWaalsContact O-CG 3.24Å; D356-M360 WeakPolarHBondContact O-CG 3.43Å; D356-M360 PolarHBondContact O-N 3.4Å
357D91.2Very high93Very high81 Ų8152 Ų5243%0.43324%0.244SC..Hα-helixtrans-67.2-30.8177.273.6-60.7000113.1Q355 K361Q355-D357 VanDerWaalsContact C-N 3.28Å; Q355-D357 VanDerWaalsContact CB-OD1 3.26Å; Q355-D357 WeakPolarHBondContact CB-OD1 3.27Å; Q355-D357 PolarHBondContact O-N 3.26Å; D357-K361 WeakPolarHBondContact O-CD 3.33Å; D357-K361 WeakPolarHBondContact O-CE 3.17Å; D357-K361 WeakPolarHBondContact O-CG 3.45Å; D357-K361 IonicContact OD2-NZ 3.58Å
358I93Very high92.6Very high18 Ų1855.1 Ų55.19%0.09226%0.261CS..Hα-helixtrans-81.8-43.5173.1-56.9-59.1000110.3V353 Q355 D356 M360 K361 M362 F402V353-I358 HydrophobicContact CB-CG2 4.19Å; V353-I358 HydrophobicContact CG1-CG2 4.39Å; Q355-I358 PolarHBondContact O-N 2.97Å; Q355-I358 VanDerWaalsContact O-N 3.08Å; D356-I358 VanDerWaalsContact C-N 3.32Å; D356-I358 PolarHBondContact O-N 3.21Å; I358-M360 PolarHBondContact O-N 3.03Å; I358-K361 WeakPolarHBondContact O-CA 3.31Å; I358-K361 WeakPolarHBondContact O-CB 3.37Å; I358-K361 PolarHBondContact O-N 3.03Å; I358-M362 PolarHBondContact O-N 2.87Å; I358-F402 HydrophobicContact CD1-CD1 4.17Å; I358-F402 HydrophobicContact CD1-CE1 4.39Å; I358-F402 HydrophobicContact CG2-CD1 3.78Å; I358-F402 HydrophobicContact CG2-CD2 3.85Å; I358-F402 HydrophobicContact CG2-CE1 3.83Å; I358-F402 HydrophobicContact CG2-CE2 3.94Å; I358-F402 HydrophobicContact CG2-CG 3.79Å; I358-F402 HydrophobicContact CG2-CZ 3.92Å
359Q90.4Very high92.3Very high21 Ų2156.2 Ų56.210%0.09826%0.257CS..Hα-helixtrans-58.4-33.1177.2-76.7-59.7-49.800113.1V353 Q355 D356 K361 M362 K394V353-Q359 PolarHBondContact O-NE2 2.97Å; Q355-Q359 WeakPolarHBondContact O-CG 3.31Å; Q355-Q359 PolarHBondContact O-N 2.92Å; D356-Q359 PolarHBondContact O-N 2.98Å; Q359-K361 VanDerWaalsContact C-N 3.33Å; Q359-M362 PolarHBondContact NE2-SD 3.01Å; Q359-K394 PolarHBondContact O-NZ 3.08Å
360M86.5Confident91.9Very high132 Ų13262.3 Ų62.365%0.6528%0.283SS*.THydrogen-bonded Turntrans-72.2-23.4173.3-75.9-171.9-66.500113.7D356 I358D356-M360 WeakPolarHBondContact O-CB 3.18Å; D356-M360 WeakPolarHBondContact O-CE 3.42Å; D356-M360 VanDerWaalsContact O-CG 3.24Å; D356-M360 WeakPolarHBondContact O-CG 3.43Å; D356-M360 PolarHBondContact O-N 3.4Å; I358-M360 PolarHBondContact O-N 3.03Å
361K89.1Confident91.6Very high137 Ų13762.8 Ų62.860%0.59629%0.286SS*.THydrogen-bonded Turntrans-87.1-19.9176.1-67.7167.3-172.4162.50112.6D357 I358 Q359 R363 F402D357-K361 WeakPolarHBondContact O-CD 3.33Å; D357-K361 WeakPolarHBondContact O-CE 3.17Å; D357-K361 WeakPolarHBondContact O-CG 3.45Å; D357-K361 IonicContact OD2-NZ 3.58Å; I358-K361 WeakPolarHBondContact O-CA 3.31Å; I358-K361 WeakPolarHBondContact O-CB 3.37Å; I358-K361 PolarHBondContact O-N 3.03Å; Q359-K361 VanDerWaalsContact C-N 3.33Å; K361-R363 PolarHBondContact O-N 2.85Å; K361-F402 HydrophobicContact CB-CE1 4.06Å; K361-F402 HydrophobicContact CB-CZ 3.92Å; K361-F402 HydrophobicContact CD-CE1 4.41Å
362M88Confident91.3Very high6 Ų663.2 Ų63.23%0.0329%0.293CS..SBendtrans-63.7131.8174.7-72.1-174.672.700110.9Y224 I358 Q359 K394 D398 V399 F402Y224-M362 HydrophobicContact CD2-CE 3.7Å; Y224-M362 HydrophobicContact CD2-SD 4.09Å; Y224-M362 HydrophobicContact CE2-CE 3.93Å; I358-M362 PolarHBondContact O-N 2.87Å; Q359-M362 PolarHBondContact NE2-SD 3.01Å; M362-K394 HydrophobicContact CB-CD 4.38Å; M362-K394 HydrophobicContact CE-CD 4.38Å; M362-D398 HydrophobicContact CE-CB 3.58Å; M362-V399 HydrophobicContact CE-CG1 3.51Å; M362-V399 HydrophobicContact SD-CG1 3.82Å; M362-F402 HydrophobicContact CG-CE2 3.76Å; M362-F402 HydrophobicContact CG-CZ 4.27Å
363R84.5Confident91.1Very high74 Ų7460.1 Ų60.128%0.27928%0.282SS..PPolyproline II helixtrans-64.9139.5-179-178.1172.5171.9-161.2-14.1111.1N53 E303 K361N53-R363 VanDerWaalsContact CB-NH2 3.33Å; N53-R363 VanDerWaalsContact CG-CZ 3.49Å; N53-R363 PolarHBondContact ND2-NH2 3.34Å; N53-R363 PolarHBondContact OD1-NE 2.77Å; N53-R363 PolarHBondContact OD1-NH2 2.77Å; E303-R363 IonicContact OE1-CZ 2.78Å; E303-R363 IonicContact OE1-NH1 3Å; E303-R363 IonicContact OE1-NH2 3.91Å; E303-R363 PolarHBondContact OE1-NH2 2.98Å; K361-R363 PolarHBondContact O-N 2.85Å
364Y89.6Confident91Very high71 Ų7160.8 Ų60.828%0.27829%0.286SS..PPolyproline II helixtrans-99.2129.7163.9-77.1-85.6000109.3I47 L196 F392 K394I47-Y364 HydrophobicContact CB-CD2 4.43Å; I47-Y364 HydrophobicContact CD1-CD1 4.43Å; I47-Y364 HydrophobicContact CD1-CD2 3.9Å; I47-Y364 HydrophobicContact CD1-CE1 4.02Å; I47-Y364 HydrophobicContact CD1-CE2 3.4Å; I47-Y364 HydrophobicContact CD1-CG 4.36Å; I47-Y364 VanDerWaalsContact CD1-CZ 3.45Å; I47-Y364 HydrophobicContact CG1-CD2 3.61Å; I47-Y364 HydrophobicContact CG1-CE2 3.54Å; I47-Y364 HydrophobicContact CG1-CG 4.22Å; I47-Y364 HydrophobicContact CG2-CD1 4.31Å; I47-Y364 HydrophobicContact CG2-CD2 4.06Å; I47-Y364 HydrophobicContact CG2-CG 3.84Å; L196-Y364 HydrophobicContact CD1-CD1 4.27Å; L196-Y364 HydrophobicContact CD1-CE1 3.79Å; Y364-F392 HydrophobicContact CD1-CB 4.08Å; Y364-K394 HydrophobicContact CD1-CG 3.91Å; Y364-K394 HydrophobicContact CE1-CD 4.07Å; Y364-K394 HydrophobicContact CE1-CG 3.87Å; Y364-K394 HydrophobicContact CG-CG 4.47Å; Y364-K394 VanDerWaalsContact CZ-CE 3.42Å
365H90.2Very high90.9Very high15 Ų1563.1 Ų63.17%0.06930%0.298CS..EExtended strand (participates in β ladder)trans-89.3128.4176.4-60.7-82.4000109.6F392 E393 F395 D398H365-F392 WeakPolarHBondContact O-CA 3.43Å; H365-E393 HydrophobicContact CB-CG 3.99Å; H365-E393 WeakPolarHBondContact CB-O 3.46Å; H365-E393 PolarHBondContact N-O 3.43Å; H365-E393 PolarHBondContact O-N 2.66Å; H365-F395 HydrophobicContact CB-CE2 3.97Å; H365-F395 HydrophobicContact CB-CZ 4.32Å; H365-F395 AromaticContact CD2-CD2 3.28Å; H365-F395 WeakPolarHBondContact CD2-CD2 3.29Å; H365-F395 AromaticContact CD2-CE2 3.49Å; H365-F395 VanDerWaalsContact CD2-CE2 3.49Å; H365-F395 WeakPolarHBondContact CD2-CE2 3.39Å; H365-F395 AromaticContact CE1-CD2 3.72Å; H365-F395 AromaticContact CE1-CE2 3.89Å; H365-F395 AromaticContact CG-CD2 3.75Å; H365-F395 AromaticContact CG-CE2 3.46Å; H365-F395 VanDerWaalsContact CG-CE2 3.46Å; H365-F395 AromaticContact ND1-CE2 3.77Å; H365-F395 AromaticContact NE2-CD2 3.26Å; H365-F395 VanDerWaalsContact NE2-CD2 3.26Å; H365-F395 WeakPolarHBondContact NE2-CD2 3.43Å; H365-F395 AromaticContact NE2-CE2 3.77Å; H365-D398 IonicContact CD2-OD2 2.64Å; H365-D398 PolarHBondContact CD2-OD2 3.05Å; H365-D398 IonicContact CE1-OD1 3.77Å; H365-D398 VanDerWaalsContact NE2-CG 3.32Å; H365-D398 IonicContact NE2-OD1 2.81Å; H365-D398 PolarHBondContact NE2-OD1 3.48Å; H365-D398 IonicContact NE2-OD2 2.91Å; H365-D398 PolarHBondContact NE2-OD2 3.08Å
366R88.9Confident90.8Very high85 Ų8561.5 Ų61.532%0.32129%0.292SS..EExtended strand (participates in β ladder)trans-94.7121.5-177.8-177-178.4171.9162.9-5.5109.8I390 F392R366-I390 HydrophobicContact CG-CG2 3.55Å; R366-F392 HydrophobicContact CB-CD1 4.39Å; R366-F392 HydrophobicContact CB-CE1 4.11Å; R366-F392 HydrophobicContact CG-CE1 4.13Å
367A88.8Confident90.9Very high15 Ų1565.7 Ų65.712%0.12431%0.308CS..EExtended strand (participates in β ladder)trans-123.4126.2176.500000111.7K391A367-K391 PolarHBondContact N-O 2.94Å; A367-K391 PolarHBondContact O-N 3.26Å
368Q90.7Very high91.1Very high118 Ų11865.6 Ų65.655%0.55131%0.311SS*.EExtended strand (participates in β ladder)trans-81.2127.6170.4-70.4-177.1-43.500110.2P387 A389Q368-P387 HydrophobicContact CB-CB 3.99Å; Q368-A389 CarbonylContact C-O 3.54Å; Q368-A389 VanDerWaalsContact CA-O 3.31Å; Q368-A389 WeakPolarHBondContact CA-O 3.45Å
369K91.1Very high91.1Very high95 Ų9565.4 Ų65.441%0.41331%0.314SS..EExtended strand (participates in β ladder)trans-135156.1-177.3-61.3-65.9-176.9-170.40111.2V371 P387 N388 A389 K391K369-V371 HydrophobicContact CB-CG2 3.94Å; K369-P387 WeakPolarHBondContact O-CA 3.4Å; K369-N388 PolarHBondContact O-N 3.12Å; K369-N388 VanDerWaalsContact O-N 3.16Å; K369-N388 PolarHBondContact O-OD1 2.98Å; K369-A389 PolarHBondContact N-O 2.93Å; K369-A389 PolarHBondContact O-N 3Å; K369-A389 VanDerWaalsContact O-N 3.1Å; K369-K391 HydrophobicContact CB-CD 4.48Å; K369-K391 HydrophobicContact CG-CD 4.14Å; K369-K391 HydrophobicContact CG-CG 4.34Å
370K91.6Very high91.4Very high130 Ų13071.1 Ų71.157%0.56534%0.34SS*.  trans-80116.6164.3-70.8-172.9-75.1-179.30107.5P384 P387K370-P384 HydrophobicContact CB-CG 4.09Å; K370-P387 HydrophobicContact CG-CG 4.44Å
371V91.4Very high91.8Very high11 Ų1170.3 Ų70.37%0.06734%0.338CS..  trans-132118.6-177.7-175.60000109T214 K369 C373 P384 N388 A389 K391T214-V371 HydrophobicContact CG2-CG1 3.29Å; K369-V371 HydrophobicContact CB-CG2 3.94Å; V371-C373 PolarHBondContact O-N 2.84Å; V371-P384 WeakPolarHBondContact O-CG 3.42Å; V371-N388 PolarHBondContact N-OD1 3.07Å; V371-N388 PolarHBondContact O-ND2 2.77Å; V371-N388 PolarHBondContact O-OD1 3.44Å; V371-A389 HydrophobicContact CB-CB 3.7Å; V371-A389 HydrophobicContact CG2-CB 3.51Å; V371-K391 VanDerWaalsContact CG2-CE 3.41Å
372T92.4Very high92Very high63 Ų6366.9 Ų66.939%0.38733%0.326SS..  trans-62.3128.6173.4-53.50000109.4L381 I382 V383T372-L381 HydrophobicContact CG2-CD1 3.51Å; T372-L381 HydrophobicContact CG2-CD2 3.98Å; T372-L381 HydrophobicContact CG2-CG 3.67Å; T372-I382 VanDerWaalsContact CA-O 3.31Å; T372-I382 WeakPolarHBondContact CA-O 3.23Å; T372-I382 WeakPolarHBondContact CG2-O 3.45Å; T372-V383 HydrophobicContact CG2-CG2 4.1Å
373C94.2Very high92.2Very high7 Ų771 Ų715%0.04735%0.351CS..EExtended strand (participates in β ladder)trans-146.4173-179.261.90000109.4L206 L207 V371 I382L206-C373 HydrophobicContact CB-CB 4.18Å; L206-C373 HydrophobicContact CD1-CB 4.47Å; L207-C373 CarbonylContact O-C 3.5Å; L207-C373 WeakPolarHBondContact O-CA 3.36Å; L207-C373 VanDerWaalsContact O-CB 3.28Å; L207-C373 WeakPolarHBondContact O-CB 3.43Å; V371-C373 PolarHBondContact O-N 2.84Å; C373-I382 PolarHBondContact N-O 2.86Å; C373-I382 WeakPolarHBondContact O-CA 3.23Å; C373-I382 WeakPolarHBondContact O-CB 3.43Å; C373-I382 PolarHBondContact O-N 3.41Å
374I95.7Very high92.6Very high15 Ų1568.4 Ų68.48%0.07734%0.343CS..EExtended strand (participates in β ladder)trans-92.8151.1171.560.2163000112.1F20 L207 K210 E380 L381F20-I374 HydrophobicContact CD2-CD1 3.88Å; F20-I374 HydrophobicContact CE2-CD1 3.43Å; F20-I374 VanDerWaalsContact CE2-CD1 3.43Å; F20-I374 HydrophobicContact CZ-CD1 4.22Å; L207-I374 HydrophobicContact CB-CD1 3.87Å; L207-I374 HydrophobicContact CB-CG1 3.55Å; L207-I374 HydrophobicContact CD1-CD1 4.08Å; L207-I374 PolarHBondContact O-N 2.95Å; K210-I374 HydrophobicContact CB-CD1 4.47Å; K210-I374 HydrophobicContact CG-CD1 3.99Å; I374-E380 CarbonylContact C-O 3.55Å; I374-E380 VanDerWaalsContact CA-O 3.26Å; I374-E380 WeakPolarHBondContact CA-O 3.36Å; I374-L381 HydrophobicContact CG2-CD1 4.46Å
375D95Very high92.7Very high49 Ų4972.7 Ų72.726%0.26237%0.366SS..  trans-72.6133167-178.5-101.6000110.5Q377 T378 G379 E380 I382D375-Q377 VanDerWaalsContact C-N 3.31Å; D375-Q377 PolarHBondContact O-N 3.09Å; D375-Q377 WeakPolarHBondContact OD1-CA 3.19Å; D375-Q377 WeakPolarHBondContact OD1-CB 3.36Å; D375-Q377 PolarHBondContact OD1-N 2.8Å; D375-T378 VanDerWaalsContact CB-OG1 3.29Å; D375-T378 WeakPolarHBondContact CB-OG1 3.26Å; D375-T378 PolarHBondContact OD1-N 3.41Å; D375-T378 PolarHBondContact OD1-OG1 3.26Å; D375-G379 WeakPolarHBondContact O-CA 3.28Å; D375-G379 PolarHBondContact O-N 2.73Å; D375-E380 PolarHBondContact N-O 2.84Å; D375-I382 HydrophobicContact CB-CD1 3.75Å; D375-I382 HydrophobicContact CB-CG1 4.08Å
376L93.9Very high92.9Very high54 Ų5480.1 Ų80.128%0.28340%0.398SS..THydrogen-bonded Turntrans-75.3-16.6-176.3-66176.3000113.7H16 T19 F20 L207H16-L376 HydrophobicContact CB-CD1 4.03Å; T19-L376 VanDerWaalsContact CG2-O 3.31Å; T19-L376 WeakPolarHBondContact CG2-O 3.36Å; F20-L376 HydrophobicContact CE2-CD2 4.41Å; F20-L376 WeakPolarHBondContact CZ-O 3.46Å; L207-L376 HydrophobicContact CD1-CD2 3.89Å
377Q93.4Very high93.1Very high182 Ų18279.5 Ų79.585%0.8541%0.405SS*.THydrogen-bonded Turntrans-90.8-40.7179.6-61.4-177.9-6.100111.7D375D375-Q377 VanDerWaalsContact C-N 3.31Å; D375-Q377 PolarHBondContact O-N 3.09Å; D375-Q377 WeakPolarHBondContact OD1-CA 3.19Å; D375-Q377 WeakPolarHBondContact OD1-CB 3.36Å; D375-Q377 PolarHBondContact OD1-N 2.8Å
378T94.4Very high93.3Very high79 Ų7980.6 Ų80.649%0.48541%0.409SS..THydrogen-bonded Turntrans-103.5-24.7-172.960.50000113D375 E380D375-T378 VanDerWaalsContact CB-OG1 3.29Å; D375-T378 WeakPolarHBondContact CB-OG1 3.26Å; D375-T378 PolarHBondContact OD1-N 3.41Å; D375-T378 PolarHBondContact OD1-OG1 3.26Å; T378-E380 PolarHBondContact O-N 2.87Å; T378-E380 PolarHBondContact OG1-N 3.43Å
379G93.7Very high93.5Very high15 Ų1575 Ų7516%0.15538%0.383CS..  trans74.67.6-171.500000114.1F20 D375F20-G379 VanDerWaalsContact CZ-CA 3.5Å; D375-G379 WeakPolarHBondContact O-CA 3.28Å; D375-G379 PolarHBondContact O-N 2.73Å
380E95.7Very high93.5Very high140 Ų14070.5 Ų70.565%0.65436%0.363SS*.PPolyproline II helixtrans-79.7152.4-179.7-66.5-171.8163.900112.6I374 D375 T378 I382I374-E380 CarbonylContact C-O 3.55Å; I374-E380 VanDerWaalsContact CA-O 3.26Å; I374-E380 WeakPolarHBondContact CA-O 3.36Å; D375-E380 PolarHBondContact N-O 2.84Å; T378-E380 PolarHBondContact O-N 2.87Å; T378-E380 PolarHBondContact OG1-N 3.43Å; E380-I382 PolarHBondContact O-N 3.19Å
381L95.5Very high93.6Very high115 Ų11567.2 Ų67.260%0.60235%0.349SS*.EExtended strand (participates in β ladder)trans-74.3121.2-179.1-166.874.4000111.5T372 I374 V383T372-L381 HydrophobicContact CG2-CD1 3.51Å; T372-L381 HydrophobicContact CG2-CD2 3.98Å; T372-L381 HydrophobicContact CG2-CG 3.67Å; I374-L381 HydrophobicContact CG2-CD1 4.46Å; L381-V383 HydrophobicContact CD2-CG2 4.46Å
382I93.1Very high93.6Very high66 Ų6667.2 Ų67.234%0.33835%0.348SS..EExtended strand (participates in β ladder)trans-96.5117.7172.8-57.4176.1000109.3T372 C373 D375 E380 P384T372-I382 VanDerWaalsContact CA-O 3.31Å; T372-I382 WeakPolarHBondContact CA-O 3.23Å; T372-I382 WeakPolarHBondContact CG2-O 3.45Å; C373-I382 PolarHBondContact N-O 2.86Å; C373-I382 WeakPolarHBondContact O-CA 3.23Å; C373-I382 WeakPolarHBondContact O-CB 3.43Å; C373-I382 PolarHBondContact O-N 3.41Å; D375-I382 HydrophobicContact CB-CD1 3.75Å; D375-I382 HydrophobicContact CB-CG1 4.08Å; E380-I382 PolarHBondContact O-N 3.19Å; I382-P384 WeakPolarHBondContact O-CD 3.04Å
383V93.5Very high93.6Very high92 Ų9267.1 Ų67.156%0.55834%0.343SS*.  trans-100103.3165.8-176.90000108.8T372 L381T372-V383 HydrophobicContact CG2-CG2 4.1Å; L381-V383 HydrophobicContact CD2-CG2 4.46Å
384P91.6Very high93.6Very high19 Ų1967.1 Ų67.112%0.12334%0.342CS..  trans-76.3140-169.231.1-37.8000112.8K370 V371 I382 N388K370-P384 HydrophobicContact CB-CG 4.09Å; V371-P384 WeakPolarHBondContact O-CG 3.42Å; I382-P384 WeakPolarHBondContact O-CD 3.04Å; P384-N388 HydrophobicContact CB-CB 4.07Å; P384-N388 VanDerWaalsContact CG-OD1 3.27Å; P384-N388 WeakPolarHBondContact CG-OD1 3.39Å
385Q92.6Very high93.6Very high162 Ų16268.2 Ų68.276%0.75735%0.347SS*.SBendtrans-85.9-23.3175.6-62.6-57.2-38.400113.4
386K93.6Very high93.6Very high170 Ų17065.9 Ų65.974%0.73933%0.334SS*.SBendtrans-124.4156.8176.4-64.4-179.2-177.5177.90109.7N388K386-N388 PolarHBondContact O-N 3.1Å; K386-N388 VanDerWaalsContact O-N 3.12Å
387P92.9Very high93.8Very high72 Ų7264 Ų6447%0.46832%0.324SS..  trans-52.5120174.6-25.734.9000111.7Q368 K369 K370Q368-P387 HydrophobicContact CB-CB 3.99Å; K369-P387 WeakPolarHBondContact O-CA 3.4Å; K370-P387 HydrophobicContact CG-CG 4.44Å
388N93.7Very high93.9Very high38 Ų3856.2 Ų56.220%0.20329%0.288CS..  trans-113.9-12.3-178.264.8-42.6000112.3K369 V371 P384 K386K369-N388 PolarHBondContact O-N 3.12Å; K369-N388 VanDerWaalsContact O-N 3.16Å; K369-N388 PolarHBondContact O-OD1 2.98Å; V371-N388 PolarHBondContact N-OD1 3.07Å; V371-N388 PolarHBondContact O-ND2 2.77Å; V371-N388 PolarHBondContact O-OD1 3.44Å; P384-N388 HydrophobicContact CB-CB 4.07Å; P384-N388 VanDerWaalsContact CG-OD1 3.27Å; P384-N388 WeakPolarHBondContact CG-OD1 3.39Å; K386-N388 PolarHBondContact O-N 3.1Å; K386-N388 VanDerWaalsContact O-N 3.12Å
389A93.7Very high94Very high1 Ų152.4 Ų52.41%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-126.4152.8-173.100000112.4F199 L206 Q368 K369 V371F199-A389 CarbonylContact O-C 3.5Å; F199-A389 WeakPolarHBondContact O-CA 3.38Å; L206-A389 HydrophobicContact CD1-CB 3.46Å; L206-A389 VanDerWaalsContact CD1-CB 3.46Å; Q368-A389 CarbonylContact C-O 3.54Å; Q368-A389 VanDerWaalsContact CA-O 3.31Å; Q368-A389 WeakPolarHBondContact CA-O 3.45Å; K369-A389 PolarHBondContact N-O 2.93Å; K369-A389 PolarHBondContact O-N 3Å; K369-A389 VanDerWaalsContact O-N 3.1Å; V371-A389 HydrophobicContact CB-CB 3.7Å; V371-A389 HydrophobicContact CG2-CB 3.51Å
390I92.8Very high94.3Very high0 Ų051.8 Ų51.80%026%0.258CS..EExtended strand (participates in β ladder)trans-108125.1170.1-62.2160.2000107.5F48 F199 R366 F392F48-I390 HydrophobicContact CE2-CD1 3.79Å; F48-I390 HydrophobicContact CZ-CD1 4.27Å; F199-I390 HydrophobicContact CB-CB 4.48Å; F199-I390 PolarHBondContact N-O 3.34Å; F199-I390 PolarHBondContact O-N 3.41Å; R366-I390 HydrophobicContact CG-CG2 3.55Å; I390-F392 HydrophobicContact CG2-CD2 4.37Å; I390-F392 HydrophobicContact CG2-CE1 4.25Å; I390-F392 HydrophobicContact CG2-CE2 3.77Å; I390-F392 HydrophobicContact CG2-CZ 3.69Å
391K92.7Very high94.3Very high62 Ų6246.5 Ų46.527%0.2724%0.236SC..EExtended strand (participates in β ladder)trans-108.3145.1168.3-63-168179-170.40109.2A198 A216 A367 K369 V371A198-K391 HydrophobicContact CB-CG 4.41Å; A216-K391 HydrophobicContact CB-CD 3.72Å; A367-K391 PolarHBondContact N-O 2.94Å; A367-K391 PolarHBondContact O-N 3.26Å; K369-K391 HydrophobicContact CB-CD 4.48Å; K369-K391 HydrophobicContact CG-CD 4.14Å; K369-K391 HydrophobicContact CG-CG 4.34Å; V371-K391 VanDerWaalsContact CG2-CE 3.41Å
392F91.8Very high94.4Very high11 Ų1143 Ų435%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-110.9135172-64.5-80.9000109.1I47 F48 L196 F199 Y364 H365 R366 I390I47-F392 HydrophobicContact CG2-CB 4.06Å; I47-F392 HydrophobicContact CG2-CD1 3.5Å; I47-F392 VanDerWaalsContact CG2-CD1 3.5Å; I47-F392 HydrophobicContact CG2-CD2 3.88Å; I47-F392 HydrophobicContact CG2-CE1 3.82Å; I47-F392 HydrophobicContact CG2-CE2 4.19Å; I47-F392 HydrophobicContact CG2-CG 3.52Å; I47-F392 HydrophobicContact CG2-CZ 4.16Å; F48-F392 HydrophobicContact CB-CZ 4.44Å; F48-F392 AromaticContact CD2-CE2 3.98Å; F48-F392 HydrophobicContact CD2-CE2 3.98Å; F48-F392 AromaticContact CD2-CZ 3.97Å; F48-F392 HydrophobicContact CD2-CZ 3.97Å; L196-F392 HydrophobicContact CD1-CB 4.2Å; F199-F392 AromaticContact CD2-CD2 3.84Å; F199-F392 HydrophobicContact CD2-CD2 3.84Å; F199-F392 AromaticContact CD2-CE2 3.67Å; F199-F392 HydrophobicContact CD2-CE2 3.67Å; F199-F392 AromaticContact CE2-CD2 3.84Å; F199-F392 HydrophobicContact CE2-CD2 3.84Å; F199-F392 AromaticContact CE2-CE2 3.93Å; F199-F392 HydrophobicContact CE2-CE2 3.93Å; F199-F392 HydrophobicContact CG-CE2 4.42Å; Y364-F392 HydrophobicContact CD1-CB 4.08Å; H365-F392 WeakPolarHBondContact O-CA 3.43Å; R366-F392 HydrophobicContact CB-CD1 4.39Å; R366-F392 HydrophobicContact CB-CE1 4.11Å; R366-F392 HydrophobicContact CG-CE1 4.13Å; I390-F392 HydrophobicContact CG2-CD2 4.37Å; I390-F392 HydrophobicContact CG2-CE1 4.25Å; I390-F392 HydrophobicContact CG2-CE2 3.77Å; I390-F392 HydrophobicContact CG2-CZ 3.69Å
393E92Very high94.6Very high60 Ų6040.7 Ų40.728%0.2821%0.207SC..EExtended strand (participates in β ladder)trans-136.9151.4177.964-169.4170.400110.3H365 F395H365-E393 HydrophobicContact CB-CG 3.99Å; H365-E393 WeakPolarHBondContact CB-O 3.46Å; H365-E393 PolarHBondContact N-O 3.43Å; H365-E393 PolarHBondContact O-N 2.66Å; E393-F395 HydrophobicContact CG-CE1 4.03Å; E393-F395 HydrophobicContact CG-CZ 4.11Å; E393-F395 WeakPolarHBondContact OE1-CZ 3.29Å
394K93.5Very high94.8Very high7 Ų744.4 Ų44.43%0.0322%0.215CC..  trans-104.2151.7164.5-75.2179.1166.5175.80109.3D218 G219 N220 G221 Q359 M362 Y364D218-K394 PolarHBondContact O-N 3.35Å; G219-K394 CarbonylContact C-O 3Å; G219-K394 WeakPolarHBondContact CA-O 3.47Å; N220-K394 PolarHBondContact N-O 2.89Å; G221-K394 WeakPolarHBondContact CA-O 3.29Å; G221-K394 PolarHBondContact N-O 3Å; Q359-K394 PolarHBondContact O-NZ 3.08Å; M362-K394 HydrophobicContact CB-CD 4.38Å; M362-K394 HydrophobicContact CE-CD 4.38Å; Y364-K394 HydrophobicContact CD1-CG 3.91Å; Y364-K394 HydrophobicContact CE1-CD 4.07Å; Y364-K394 HydrophobicContact CE1-CG 3.87Å; Y364-K394 HydrophobicContact CG-CG 4.47Å; Y364-K394 VanDerWaalsContact CZ-CE 3.42Å
395F95.4Very high95.1Very high39 Ų3949 Ų4917%0.17123%0.23CC..  trans-103.4147.4169.9-61.4-48.4000112.2N220 G221 H365 E393 F397 D398N220-F395 WeakPolarHBondContact OD1-CA 3.28Å; G221-F395 VanDerWaalsContact CA-C 3.41Å; H365-F395 HydrophobicContact CB-CE2 3.97Å; H365-F395 HydrophobicContact CB-CZ 4.32Å; H365-F395 AromaticContact CD2-CD2 3.28Å; H365-F395 WeakPolarHBondContact CD2-CD2 3.29Å; H365-F395 AromaticContact CD2-CE2 3.49Å; H365-F395 VanDerWaalsContact CD2-CE2 3.49Å; H365-F395 WeakPolarHBondContact CD2-CE2 3.39Å; H365-F395 AromaticContact CE1-CD2 3.72Å; H365-F395 AromaticContact CE1-CE2 3.89Å; H365-F395 AromaticContact CG-CD2 3.75Å; H365-F395 AromaticContact CG-CE2 3.46Å; H365-F395 VanDerWaalsContact CG-CE2 3.46Å; H365-F395 AromaticContact ND1-CE2 3.77Å; H365-F395 AromaticContact NE2-CD2 3.26Å; H365-F395 VanDerWaalsContact NE2-CD2 3.26Å; H365-F395 WeakPolarHBondContact NE2-CD2 3.43Å; H365-F395 AromaticContact NE2-CE2 3.77Å; E393-F395 HydrophobicContact CG-CE1 4.03Å; E393-F395 HydrophobicContact CG-CZ 4.11Å; E393-F395 WeakPolarHBondContact OE1-CZ 3.29Å; F395-F397 HydrophobicContact CB-CD1 4.02Å; F395-F397 HydrophobicContact CB-CD2 3.88Å; F395-F397 HydrophobicContact CB-CE1 3.64Å; F395-F397 HydrophobicContact CB-CE2 3.48Å; F395-F397 VanDerWaalsContact CB-CE2 3.48Å; F395-F397 HydrophobicContact CB-CG 4.16Å; F395-F397 HydrophobicContact CB-CZ 3.38Å; F395-F397 HydrophobicContact CD1-CZ 4.4Å; F395-F397 HydrophobicContact CD2-CE1 4.33Å; F395-F397 AromaticContact CD2-CE2 3.63Å; F395-F397 HydrophobicContact CD2-CE2 3.63Å; F395-F397 AromaticContact CD2-CZ 3.39Å; F395-F397 HydrophobicContact CD2-CZ 3.39Å; F395-F397 HydrophobicContact CE2-CZ 4.29Å; F395-F397 AromaticContact CG-CE1 3.98Å; F395-F397 HydrophobicContact CG-CE1 3.98Å; F395-F397 AromaticContact CG-CE2 3.89Å; F395-F397 HydrophobicContact CG-CE2 3.89Å; F395-F397 AromaticContact CG-CZ 3.47Å; F395-F397 HydrophobicContact CG-CZ 3.47Å; F395-F397 VanDerWaalsContact CG-CZ 3.47Å; F395-F397 PolarHBondContact O-N 3.27Å; F395-D398 PolarHBondContact N-OD2 3.19Å; F395-D398 VanDerWaalsContact O-CB 3.29Å; F395-D398 WeakPolarHBondContact O-CB 3.26Å; F395-D398 PolarHBondContact O-N 3.44Å
396A97Very high95.4Very high0 Ų041.6 Ų41.60%020%0.195CC..G310 helixtrans-58.7-31.6178.500000111.7L105 N220 Y224 D398L105-A396 HydrophobicContact CD1-CB 4.07Å; N220-A396 PolarHBondContact OD1-N 3.25Å; Y224-A396 PolarHBondContact OH-O 3.35Å; A396-D398 VanDerWaalsContact C-N 3.31Å; A396-D398 PolarHBondContact O-N 3.21Å
397F97Very high95.6Very high13 Ų1334.6 Ų34.66%0.05717%0.165CC..G310 helixtrans-80.2-4.9177.849.7-105.2000114.7V298 E300 N339 F395 V399 F400V298-F397 HydrophobicContact CB-CB 4.4Å; V298-F397 HydrophobicContact CB-CD1 4.46Å; V298-F397 HydrophobicContact CB-CD2 3.51Å; V298-F397 HydrophobicContact CB-CE2 3.72Å; V298-F397 HydrophobicContact CB-CG 3.88Å; V298-F397 HydrophobicContact CB-CZ 4.26Å; V298-F397 HydrophobicContact CG1-CD2 4.28Å; V298-F397 HydrophobicContact CG1-CE1 4.46Å; V298-F397 HydrophobicContact CG1-CE2 4.07Å; V298-F397 HydrophobicContact CG1-CZ 4.14Å; V298-F397 HydrophobicContact CG2-CB 3.63Å; V298-F397 HydrophobicContact CG2-CD1 4.15Å; V298-F397 HydrophobicContact CG2-CD2 3.72Å; V298-F397 HydrophobicContact CG2-CE2 4.35Å; V298-F397 HydrophobicContact CG2-CG 3.56Å; E300-F397 WeakPolarHBondContact OE1-CZ 3.41Å; N339-F397 WeakPolarHBondContact ND2-CD1 3.23Å; F395-F397 HydrophobicContact CB-CD1 4.02Å; F395-F397 HydrophobicContact CB-CD2 3.88Å; F395-F397 HydrophobicContact CB-CE1 3.64Å; F395-F397 HydrophobicContact CB-CE2 3.48Å; F395-F397 VanDerWaalsContact CB-CE2 3.48Å; F395-F397 HydrophobicContact CB-CG 4.16Å; F395-F397 HydrophobicContact CB-CZ 3.38Å; F395-F397 HydrophobicContact CD1-CZ 4.4Å; F395-F397 HydrophobicContact CD2-CE1 4.33Å; F395-F397 AromaticContact CD2-CE2 3.63Å; F395-F397 HydrophobicContact CD2-CE2 3.63Å; F395-F397 AromaticContact CD2-CZ 3.39Å; F395-F397 HydrophobicContact CD2-CZ 3.39Å; F395-F397 HydrophobicContact CE2-CZ 4.29Å; F395-F397 AromaticContact CG-CE1 3.98Å; F395-F397 HydrophobicContact CG-CE1 3.98Å; F395-F397 AromaticContact CG-CE2 3.89Å; F395-F397 HydrophobicContact CG-CE2 3.89Å; F395-F397 AromaticContact CG-CZ 3.47Å; F395-F397 HydrophobicContact CG-CZ 3.47Å; F395-F397 VanDerWaalsContact CG-CZ 3.47Å; F395-F397 PolarHBondContact O-N 3.27Å; F397-V399 PolarHBondContact O-N 3.41Å; F397-F400 HydrophobicContact CB-CD1 4.43Å; F397-F400 HydrophobicContact CB-CD2 4.1Å; F397-F400 HydrophobicContact CB-CE1 4.05Å; F397-F400 HydrophobicContact CB-CE2 3.69Å; F397-F400 HydrophobicContact CB-CG 4.47Å; F397-F400 HydrophobicContact CB-CZ 3.67Å; F397-F400 WeakPolarHBondContact O-CD1 3.23Å; F397-F400 VanDerWaalsContact O-CG 3.23Å; F397-F400 WeakPolarHBondContact O-CG 3.46Å; F397-F400 PolarHBondContact O-N 2.92Å; F397-F400 VanDerWaalsContact O-N 3.08Å
398D95.7Very high95.9Very high19 Ų1931.2 Ų31.210%0.10214%0.143CC..G310 helixtrans-65.4-6.3180-71-28.5000112.9M362 H365 F395 A396 P401M362-D398 HydrophobicContact CE-CB 3.58Å; H365-D398 IonicContact CD2-OD2 2.64Å; H365-D398 PolarHBondContact CD2-OD2 3.05Å; H365-D398 IonicContact CE1-OD1 3.77Å; H365-D398 VanDerWaalsContact NE2-CG 3.32Å; H365-D398 IonicContact NE2-OD1 2.81Å; H365-D398 PolarHBondContact NE2-OD1 3.48Å; H365-D398 IonicContact NE2-OD2 2.91Å; H365-D398 PolarHBondContact NE2-OD2 3.08Å; F395-D398 PolarHBondContact N-OD2 3.19Å; F395-D398 VanDerWaalsContact O-CB 3.29Å; F395-D398 WeakPolarHBondContact O-CB 3.26Å; F395-D398 PolarHBondContact O-N 3.44Å; A396-D398 VanDerWaalsContact C-N 3.31Å; A396-D398 PolarHBondContact O-N 3.21Å; D398-P401 WeakPolarHBondContact O-CD 3.5Å
399V97.2Very high96.1Very high0 Ų029.4 Ų29.40%013%0.133CC..G310 helixtrans-86.4-12.9175.1-63.30000114.4Y224 F349 V353 M362 F397 P401 F402Y224-V399 HydrophobicContact CD1-CG1 4.11Å; Y224-V399 HydrophobicContact CD2-CG1 3.67Å; Y224-V399 HydrophobicContact CE1-CG1 3.76Å; Y224-V399 HydrophobicContact CE1-CG2 4.19Å; Y224-V399 HydrophobicContact CE2-CB 4.36Å; Y224-V399 HydrophobicContact CE2-CG1 3.27Å; Y224-V399 HydrophobicContact CE2-CG2 4.25Å; Y224-V399 HydrophobicContact CG-CG1 4.08Å; Y224-V399 WeakPolarHBondContact OH-CG2 3.46Å; F349-V399 HydrophobicContact CE1-CB 4.14Å; F349-V399 HydrophobicContact CE1-CG2 3.75Å; F349-V399 HydrophobicContact CZ-CB 3.98Å; F349-V399 HydrophobicContact CZ-CG2 3.97Å; V353-V399 HydrophobicContact CB-CB 4.45Å; V353-V399 HydrophobicContact CB-CG1 4.06Å; V353-V399 HydrophobicContact CG1-CB 4.3Å; V353-V399 HydrophobicContact CG1-CG1 4.44Å; V353-V399 HydrophobicContact CG2-CB 4.44Å; V353-V399 HydrophobicContact CG2-CG1 3.99Å; M362-V399 HydrophobicContact CE-CG1 3.51Å; M362-V399 HydrophobicContact SD-CG1 3.82Å; F397-V399 PolarHBondContact O-N 3.41Å; V399-P401 VanDerWaalsContact C-N 3.3Å; V399-F402 HydrophobicContact CB-CD2 4.46Å; V399-F402 WeakPolarHBondContact O-CD2 3.17Å; V399-F402 PolarHBondContact O-N 2.82Å
400F98Very high96.4Very high1 Ų130 Ų300%0.00414%0.136CC..G310 helixtrans-54.3-38.2-177.6-65.4-3.6000113.8A274 V289 Y296 V298 H343 F397 F402 A403 F406A274-F400 HydrophobicContact CB-CE2 3.9Å; A274-F400 HydrophobicContact CB-CZ 3.76Å; V289-F400 HydrophobicContact CG2-CE2 4.5Å; Y296-F400 CarbonylContact O-C 3.53Å; Y296-F400 VanDerWaalsContact O-C 3.24Å; Y296-F400 VanDerWaalsContact O-CB 3.28Å; Y296-F400 WeakPolarHBondContact O-CB 3.36Å; V298-F400 HydrophobicContact CG2-CD2 4.07Å; V298-F400 HydrophobicContact CG2-CE2 3.71Å; H343-F400 AromaticContact CD2-CE1 4Å; H343-F400 AromaticContact CD2-CZ 3.49Å; H343-F400 VanDerWaalsContact CD2-CZ 3.49Å; H343-F400 WeakPolarHBondContact CD2-CZ 3.32Å; H343-F400 AromaticContact CE1-CZ 3.95Å; H343-F400 AromaticContact NE2-CZ 3.45Å; H343-F400 WeakPolarHBondContact NE2-CZ 3.49Å; F397-F400 HydrophobicContact CB-CD1 4.43Å; F397-F400 HydrophobicContact CB-CD2 4.1Å; F397-F400 HydrophobicContact CB-CE1 4.05Å; F397-F400 HydrophobicContact CB-CE2 3.69Å; F397-F400 HydrophobicContact CB-CG 4.47Å; F397-F400 HydrophobicContact CB-CZ 3.67Å; F397-F400 WeakPolarHBondContact O-CD1 3.23Å; F397-F400 VanDerWaalsContact O-CG 3.23Å; F397-F400 WeakPolarHBondContact O-CG 3.46Å; F397-F400 PolarHBondContact O-N 2.92Å; F397-F400 VanDerWaalsContact O-N 3.08Å; F400-F402 PolarHBondContact O-N 3.41Å; F400-A403 VanDerWaalsContact O-CB 3.3Å; F400-A403 WeakPolarHBondContact O-CB 3.28Å; F400-A403 PolarHBondContact O-N 2.89Å; F400-F406 HydrophobicContact CB-CD2 4.42Å; F400-F406 HydrophobicContact CB-CE2 4Å; F400-F406 HydrophobicContact CB-CZ 4.45Å; F400-F406 HydrophobicContact CD1-CD2 4.44Å; F400-F406 AromaticContact CD1-CE2 3.56Å; F400-F406 HydrophobicContact CD1-CE2 3.56Å; F400-F406 HydrophobicContact CD1-CZ 4.23Å; F400-F406 AromaticContact CD2-CE2 3.74Å; F400-F406 HydrophobicContact CD2-CE2 3.74Å; F400-F406 AromaticContact CD2-CZ 3.58Å; F400-F406 HydrophobicContact CD2-CZ 3.58Å; F400-F406 AromaticContact CE1-CE2 3.86Å; F400-F406 HydrophobicContact CE1-CE2 3.86Å; F400-F406 HydrophobicContact CE1-CZ 4.34Å; F400-F406 HydrophobicContact CE2-CE2 4.02Å; F400-F406 AromaticContact CE2-CZ 3.7Å; F400-F406 HydrophobicContact CE2-CZ 3.7Å; F400-F406 HydrophobicContact CG-CD2 4.35Å; F400-F406 AromaticContact CG-CE2 3.49Å; F400-F406 HydrophobicContact CG-CE2 3.49Å; F400-F406 VanDerWaalsContact CG-CE2 3.49Å; F400-F406 AromaticContact CG-CZ 3.85Å; F400-F406 HydrophobicContact CG-CZ 3.85Å; F400-F406 HydrophobicContact CZ-CE2 4.06Å; F400-F406 HydrophobicContact CZ-CZ 4.08Å
401P96.9Very high96.7Very high30 Ų3030.1 Ų30.120%0.19514%0.137CC..G310 helixtrans-59.1-20.7176.5-29.238.1000114.7Q295 Y296 Q297 D398 V399Q295-P401 HydrophobicContact CB-CB 4.07Å; Q295-P401 HydrophobicContact CG-CB 4.43Å; Y296-P401 WeakPolarHBondContact O-CA 3.4Å; Y296-P401 VanDerWaalsContact O-CD 3.29Å; Y296-P401 WeakPolarHBondContact O-CD 3.2Å; Y296-P401 WeakPolarHBondContact O-CG 3.47Å; Q297-P401 HydrophobicContact CB-CG 4.21Å; D398-P401 WeakPolarHBondContact O-CD 3.5Å; V399-P401 VanDerWaalsContact C-N 3.3Å
402F97.1Very high96.9Very high40 Ų4028.1 Ų28.118%0.17513%0.13CC..G310 helixtrans-92.5-5.8180-51.2-74.5000113F349 R352 V353 I358 K361 M362 V399 F400F349-F402 HydrophobicContact CE2-CB 4.47Å; R352-F402 PolarHBondContact NH1-O 2.86Å; R352-F402 PolarHBondContact NH2-O 3.47Å; V353-F402 HydrophobicContact CG1-CB 3.93Å; I358-F402 HydrophobicContact CD1-CD1 4.17Å; I358-F402 HydrophobicContact CD1-CE1 4.39Å; I358-F402 HydrophobicContact CG2-CD1 3.78Å; I358-F402 HydrophobicContact CG2-CD2 3.85Å; I358-F402 HydrophobicContact CG2-CE1 3.83Å; I358-F402 HydrophobicContact CG2-CE2 3.94Å; I358-F402 HydrophobicContact CG2-CG 3.79Å; I358-F402 HydrophobicContact CG2-CZ 3.92Å; K361-F402 HydrophobicContact CB-CE1 4.06Å; K361-F402 HydrophobicContact CB-CZ 3.92Å; K361-F402 HydrophobicContact CD-CE1 4.41Å; M362-F402 HydrophobicContact CG-CE2 3.76Å; M362-F402 HydrophobicContact CG-CZ 4.27Å; V399-F402 HydrophobicContact CB-CD2 4.46Å; V399-F402 WeakPolarHBondContact O-CD2 3.17Å; V399-F402 PolarHBondContact O-N 2.82Å; F400-F402 PolarHBondContact O-N 3.41Å
403A97.9Very high97.1Very high18 Ų1830.4 Ų30.415%0.14914%0.138CC..  trans-68.6135.4177.100000110.8C272 F349 F400 F406C272-A403 HydrophobicContact CB-CB 3.78Å; F349-A403 HydrophobicContact CE2-CB 4.08Å; F349-A403 HydrophobicContact CZ-CB 4.39Å; F400-A403 VanDerWaalsContact O-CB 3.3Å; F400-A403 WeakPolarHBondContact O-CB 3.28Å; F400-A403 PolarHBondContact O-N 2.89Å; A403-F406 HydrophobicContact CB-CB 3.9Å; A403-F406 HydrophobicContact CB-CD2 3.94Å; A403-F406 HydrophobicContact CB-CG 4.39Å
404K97.4Very high97.3Very high171 Ų17131.2 Ų31.274%0.74315%0.145SC*.SBendtrans-89.6-27.3175.1-67.6-177.7179.3-178.50111.7D271D271-K404 PolarHBondContact OD1-N 3.02Å; D271-K404 PolarHBondContact OD2-N 3.38Å
405R97.9Very high97.6Very high116 Ų11632 Ų3244%0.43815%0.149SC..SBendtrans-139.471.4-175.2-64.6179.967.3169.18.5108.4N268 N269 A270 D271 F407N268-R405 VanDerWaalsContact O-CZ 3.32Å; N268-R405 PolarHBondContact O-NH2 3.2Å; N269-R405 WeakPolarHBondContact O-CD 3.16Å; N269-R405 PolarHBondContact O-NE 3.27Å; N269-R405 PolarHBondContact O-NH1 3.44Å; A270-R405 WeakPolarHBondContact CA-O 3.29Å; D271-R405 PolarHBondContact N-O 2.78Å; D271-R405 VanDerWaalsContact OD1-C 3.23Å; D271-R405 WeakPolarHBondContact OD1-CA 3.39Å; D271-R405 PolarHBondContact OD1-N 2.82Å; D271-R405 VanDerWaalsContact OD1-O 3.13Å; R405-F407 HydrophobicContact CB-CE2 4.21Å; R405-F407 WeakPolarHBondContact O-CD2 3.27Å
406F98.6Very high97.7Very high5 Ų530.4 Ų30.42%0.02214%0.142CC..EExtended strand (participates in β ladder)trans-82139.6179.1-168.3-98.7000111.6I69 C272 A274 V289 Y296 F400 A403 I408I69-F406 HydrophobicContact CD1-CD1 4.35Å; C272-F406 HydrophobicContact CB-CD2 4.13Å; C272-F406 VanDerWaalsContact O-CA 3.29Å; C272-F406 WeakPolarHBondContact O-CA 3.29Å; A274-F406 HydrophobicContact CB-CZ 3.78Å; V289-F406 HydrophobicContact CG1-CE1 3.89Å; V289-F406 HydrophobicContact CG1-CZ 4.3Å; Y296-F406 AromaticContact CD1-CD1 3.84Å; Y296-F406 HydrophobicContact CD1-CD1 3.84Å; Y296-F406 HydrophobicContact CD1-CE1 4.37Å; Y296-F406 HydrophobicContact CD2-CB 3.5Å; Y296-F406 AromaticContact CD2-CD1 3.91Å; Y296-F406 HydrophobicContact CD2-CD1 3.91Å; Y296-F406 AromaticContact CD2-CG 3.94Å; Y296-F406 HydrophobicContact CD2-CG 3.94Å; Y296-F406 HydrophobicContact CE1-CD1 4.44Å; Y296-F406 HydrophobicContact CE2-CB 3.9Å; Y296-F406 HydrophobicContact CE2-CD1 4.49Å; Y296-F406 HydrophobicContact CG-CB 4.05Å; Y296-F406 AromaticContact CG-CD1 3.55Å; Y296-F406 HydrophobicContact CG-CD1 3.55Å; Y296-F406 HydrophobicContact CG-CE1 4.25Å; Y296-F406 AromaticContact CG-CG 3.96Å; Y296-F406 HydrophobicContact CG-CG 3.96Å; F400-F406 HydrophobicContact CB-CD2 4.42Å; F400-F406 HydrophobicContact CB-CE2 4Å; F400-F406 HydrophobicContact CB-CZ 4.45Å; F400-F406 HydrophobicContact CD1-CD2 4.44Å; F400-F406 AromaticContact CD1-CE2 3.56Å; F400-F406 HydrophobicContact CD1-CE2 3.56Å; F400-F406 HydrophobicContact CD1-CZ 4.23Å; F400-F406 AromaticContact CD2-CE2 3.74Å; F400-F406 HydrophobicContact CD2-CE2 3.74Å; F400-F406 AromaticContact CD2-CZ 3.58Å; F400-F406 HydrophobicContact CD2-CZ 3.58Å; F400-F406 AromaticContact CE1-CE2 3.86Å; F400-F406 HydrophobicContact CE1-CE2 3.86Å; F400-F406 HydrophobicContact CE1-CZ 4.34Å; F400-F406 HydrophobicContact CE2-CE2 4.02Å; F400-F406 AromaticContact CE2-CZ 3.7Å; F400-F406 HydrophobicContact CE2-CZ 3.7Å; F400-F406 HydrophobicContact CG-CD2 4.35Å; F400-F406 AromaticContact CG-CE2 3.49Å; F400-F406 HydrophobicContact CG-CE2 3.49Å; F400-F406 VanDerWaalsContact CG-CE2 3.49Å; F400-F406 AromaticContact CG-CZ 3.85Å; F400-F406 HydrophobicContact CG-CZ 3.85Å; F400-F406 HydrophobicContact CZ-CE2 4.06Å; F400-F406 HydrophobicContact CZ-CZ 4.08Å; A403-F406 HydrophobicContact CB-CB 3.9Å; A403-F406 HydrophobicContact CB-CD2 3.94Å; A403-F406 HydrophobicContact CB-CG 4.39Å; F406-I408 HydrophobicContact CD1-CG1 4.32Å; F406-I408 HydrophobicContact CE1-CD1 4.23Å; F406-I408 HydrophobicContact CE1-CG1 3.7Å
407F98.7Very high97.7Very high23 Ų2331 Ų3110%0.10114%0.144CC..EExtended strand (participates in β ladder)trans-135.2161.9176.7-69.1-88.2000111.9I69 Y264 N268 A270 C272 A273 A274 R405I69-F407 HydrophobicContact CB-CD1 3.89Å; I69-F407 HydrophobicContact CB-CE1 4.3Å; I69-F407 HydrophobicContact CG2-CD1 4.3Å; I69-F407 HydrophobicContact CG2-CE1 4.23Å; Y264-F407 HydrophobicContact CE1-CB 3.79Å; Y264-F407 HydrophobicContact CE1-CD1 4.46Å; Y264-F407 HydrophobicContact CE1-CG 4.39Å; Y264-F407 AromaticContact CZ-CD1 3.93Å; Y264-F407 WeakPolarHBondContact OH-CD1 3.45Å; N268-F407 HydrophobicContact CB-CD1 4.45Å; N268-F407 HydrophobicContact CB-CD2 4.44Å; N268-F407 HydrophobicContact CB-CE1 3.92Å; N268-F407 HydrophobicContact CB-CE2 3.9Å; N268-F407 HydrophobicContact CB-CZ 3.61Å; A270-F407 HydrophobicContact CB-CD2 3.48Å; A270-F407 VanDerWaalsContact CB-CD2 3.48Å; A270-F407 HydrophobicContact CB-CE2 4.01Å; A270-F407 HydrophobicContact CB-CG 4.46Å; C272-F407 PolarHBondContact O-N 3.37Å; A273-F407 CarbonylContact C-O 3.46Å; A273-F407 WeakPolarHBondContact CA-O 3.38Å; A273-F407 HydrophobicContact CB-CB 4Å; A273-F407 VanDerWaalsContact CB-O 3.23Å; A273-F407 WeakPolarHBondContact CB-O 3.31Å; A274-F407 PolarHBondContact N-O 2.92Å; R405-F407 HydrophobicContact CB-CE2 4.21Å; R405-F407 WeakPolarHBondContact O-CD2 3.27Å
408I98.8Very high97.7Very high1 Ų130.4 Ų30.41%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-126.9128.6179.9-61.2176.2000109.1P65 I69 C70 K71 A274 V276 V289 H337 F406P65-I408 HydrophobicContact CB-CD1 3.57Å; P65-I408 HydrophobicContact CG-CD1 3.48Å; P65-I408 VanDerWaalsContact CG-CD1 3.48Å; I69-I408 HydrophobicContact CD1-CD1 4.48Å; I69-I408 HydrophobicContact CD1-CG1 4.47Å; I69-I408 PolarHBondContact O-N 2.98Å; C70-I408 WeakPolarHBondContact CA-O 3.46Å; C70-I408 HydrophobicContact CB-CB 4.45Å; K71-I408 PolarHBondContact N-O 3.35Å; A274-I408 WeakPolarHBondContact O-CA 3.32Å; V276-I408 HydrophobicContact CB-CG2 4.35Å; V276-I408 HydrophobicContact CG1-CG2 3.94Å; V276-I408 HydrophobicContact CG2-CG2 3.44Å; V276-I408 VanDerWaalsContact CG2-CG2 3.44Å; V289-I408 HydrophobicContact CB-CD1 4.08Å; V289-I408 HydrophobicContact CG1-CD1 3.6Å; V289-I408 HydrophobicContact CG1-CG1 4.27Å; H337-I408 HydrophobicContact CB-CG2 4.48Å; F406-I408 HydrophobicContact CD1-CG1 4.32Å; F406-I408 HydrophobicContact CE1-CD1 4.23Å; F406-I408 HydrophobicContact CE1-CG1 3.7Å
409W98.8Very high97.7Very high0 Ų029.7 Ų29.70%014%0.138CC..EExtended strand (participates in β ladder)trans-117106.6178.3-176.8-111.9000110K71 L73 L76 L84 Y87 H260 F261 Y264 A274 E275 V276 V411K71-W409 HydrophobicContact CB-CE3 3.74Å; K71-W409 HydrophobicContact CB-CZ3 3.63Å; K71-W409 CarbonylContact O-C 3.03Å; L73-W409 HydrophobicContact CB-CH2 4.41Å; L73-W409 HydrophobicContact CB-CZ2 3.73Å; L73-W409 HydrophobicContact CD1-CZ2 3.94Å; L73-W409 HydrophobicContact CG-CZ2 4.34Å; L76-W409 HydrophobicContact CD1-CH2 3.63Å; L76-W409 HydrophobicContact CD1-CZ3 3.61Å; L84-W409 HydrophobicContact CD1-CH2 4.01Å; L84-W409 HydrophobicContact CD1-CZ2 4.31Å; Y87-W409 HydrophobicContact CD2-CH2 4.24Å; Y87-W409 HydrophobicContact CD2-CZ3 4.4Å; Y87-W409 HydrophobicContact CE2-CZ3 4.36Å; H260-W409 HydrophobicContact CB-CH2 4.45Å; H260-W409 HydrophobicContact CB-CZ2 3.7Å; F261-W409 HydrophobicContact CB-CG 4.21Å; F261-W409 HydrophobicContact CD2-CB 3.36Å; F261-W409 AromaticContact CD2-CD1 3.73Å; F261-W409 AromaticContact CD2-CG 3.59Å; F261-W409 HydrophobicContact CD2-CG 3.59Å; F261-W409 HydrophobicContact CE2-CB 3.6Å; F261-W409 HydrophobicContact CE2-CG 4.33Å; F261-W409 HydrophobicContact CG-CB 4.3Å; F261-W409 AromaticContact CG-CD1 3.85Å; F261-W409 HydrophobicContact CG-CG 4.18Å; Y264-W409 HydrophobicContact CD1-CB 4.27Å; Y264-W409 HydrophobicContact CD1-CD2 4.23Å; Y264-W409 AromaticContact CD1-CE3 3.57Å; Y264-W409 HydrophobicContact CD1-CE3 3.57Å; Y264-W409 HydrophobicContact CD1-CZ3 4.27Å; Y264-W409 HydrophobicContact CD2-CE3 4.22Å; Y264-W409 HydrophobicContact CD2-CZ3 4.14Å; Y264-W409 HydrophobicContact CE1-CB 4.43Å; Y264-W409 HydrophobicContact CE1-CE3 4.05Å; Y264-W409 AromaticContact CG-CE3 3.66Å; Y264-W409 HydrophobicContact CG-CE3 3.66Å; Y264-W409 AromaticContact CG-CZ3 3.87Å; Y264-W409 HydrophobicContact CG-CZ3 3.87Å; A274-W409 PolarHBondContact O-N 2.8Å; E275-W409 CarbonylContact C-O 3.57Å; E275-W409 VanDerWaalsContact CA-O 3.22Å; E275-W409 WeakPolarHBondContact CA-O 3.43Å; V276-W409 PolarHBondContact N-O 3.47Å; W409-V411 VanDerWaalsContact CD1-CG1 3.5Å
410E98.7Very high97.5Very high13 Ų1329.7 Ų29.76%0.06114%0.138CC..EExtended strand (participates in β ladder)trans-86.9129.3178.1178.5163.6110.300111.5K71 S72 L73 V276 R332 H337K71-E410 PolarHBondContact O-N 3.04Å; S72-E410 WeakPolarHBondContact CA-O 3.44Å; L73-E410 PolarHBondContact N-O 3.23Å; V276-E410 HydrophobicContact CG2-CB 3.88Å; V276-E410 HydrophobicContact CG2-CG 4.4Å; V276-E410 WeakPolarHBondContact O-CA 3.33Å; R332-E410 IonicContact CZ-OE1 3.22Å; R332-E410 IonicContact CZ-OE2 3.21Å; R332-E410 IonicContact NH1-OE1 2.77Å; R332-E410 PolarHBondContact NH1-OE1 3.19Å; R332-E410 IonicContact NH1-OE2 3.42Å; R332-E410 PolarHBondContact NH1-OE2 2.79Å; R332-E410 IonicContact NH2-OE1 3.51Å; R332-E410 PolarHBondContact NH2-OE1 3.35Å; R332-E410 IonicContact NH2-OE2 3.03Å; R332-E410 PolarHBondContact NH2-OE2 2.93Å; H337-E410 IonicContact CD2-OE2 2.68Å
411V98.7Very high97Very high4 Ų432.7 Ų32.72%0.02415%0.151CC..  trans-118.5153.2179-64.20000111.6L73 E275 V276 V277 I340 W409 R413 Q416L73-V411 HydrophobicContact CB-CG1 4.44Å; L73-V411 HydrophobicContact CD2-CG1 4.24Å; E275-V411 HydrophobicContact CG-CB 4.48Å; E275-V411 HydrophobicContact CG-CG1 3.84Å; E275-V411 HydrophobicContact CG-CG2 3.79Å; V276-V411 WeakPolarHBondContact O-CG2 3.39Å; V276-V411 PolarHBondContact O-N 3.05Å; V277-V411 HydrophobicContact CG1-CG2 4.08Å; I340-V411 HydrophobicContact CD1-CG2 4.41Å; W409-V411 VanDerWaalsContact CD1-CG1 3.5Å; V411-R413 PolarHBondContact O-N 3Å; V411-Q416 HydrophobicContact CB-CB 4Å; V411-Q416 HydrophobicContact CB-CG 3.94Å; V411-Q416 HydrophobicContact CG1-CG 4.43Å; V411-Q416 HydrophobicContact CG2-CB 3.59Å; V411-Q416 HydrophobicContact CG2-CG 4.1Å
412P97.9Very high96.7Very high19 Ų1933.8 Ų33.812%0.12316%0.155CC..  trans-64.1126.8173.2-19.633.6000110.4D414 E415 Q416P412-D414 VanDerWaalsContact C-N 3.31Å; P412-D414 WeakPolarHBondContact CB-OD1 3.45Å; P412-D414 PolarHBondContact O-N 2.66Å; P412-E415 HydrophobicContact CB-CB 4.05Å; P412-E415 HydrophobicContact CB-CG 3.84Å; P412-E415 HydrophobicContact CG-CB 4.49Å; P412-E415 HydrophobicContact CG-CG 4.25Å; P412-E415 PolarHBondContact O-N 2.66Å; P412-E415 VanDerWaalsContact O-N 3.1Å; P412-Q416 PolarHBondContact O-N 2.88Å
413R96.5Very high96.2Very high59 Ų5932.5 Ų32.522%0.22315%0.153CC..Hα-helixtrans-56.2-47-179.6175.8178.5-63.6-108.47.2111.7V277 Q278 E284 V411 E415 Q416 F417V277-R413 HydrophobicContact CB-CB 4.39Å; V277-R413 HydrophobicContact CG1-CB 4.27Å; Q278-R413 PolarHBondContact O-NH2 2.9Å; E284-R413 VanDerWaalsContact CD-NH2 3.32Å; E284-R413 IonicContact OE1-CZ 3.78Å; E284-R413 VanDerWaalsContact OE1-CZ 3.22Å; E284-R413 IonicContact OE1-NH1 2.71Å; E284-R413 PolarHBondContact OE1-NH1 3.48Å; E284-R413 IonicContact OE1-NH2 2.74Å; E284-R413 PolarHBondContact OE1-NH2 2.93Å; E284-R413 IonicContact OE2-CZ 3.22Å; E284-R413 IonicContact OE2-NH2 3.81Å; E284-R413 PolarHBondContact OE2-NH2 3.33Å; V411-R413 PolarHBondContact O-N 3Å; R413-E415 PolarHBondContact O-N 3.18Å; R413-E415 VanDerWaalsContact O-N 3.16Å; R413-Q416 PolarHBondContact O-N 3.13Å; R413-F417 HydrophobicContact CG-CB 4.33Å; R413-F417 HydrophobicContact CG-CD1 4.2Å; R413-F417 WeakPolarHBondContact CG-O 3.27Å; R413-F417 CarbonylContact O-C 3.41Å; R413-F417 WeakPolarHBondContact O-CA 3.16Å; R413-F417 PolarHBondContact O-N 3.43Å
414D96.6Very high95.6Very high77 Ų7734.7 Ų34.741%0.41217%0.166SC..Hα-helixtrans-70-6.3-178.367.6-43.3000113.9P412 R444P412-D414 VanDerWaalsContact C-N 3.31Å; P412-D414 WeakPolarHBondContact CB-OD1 3.45Å; P412-D414 PolarHBondContact O-N 2.66Å; D414-R444 VanDerWaalsContact CG-NH2 3.32Å; D414-R444 PolarHBondContact O-NH2 2.81Å; D414-R444 IonicContact OD2-CZ 3.91Å; D414-R444 VanDerWaalsContact OD2-CZ 3.23Å; D414-R444 IonicContact OD2-NE 3.89Å; D414-R444 IonicContact OD2-NH1 2.73Å; D414-R444 IonicContact OD2-NH2 3.75Å; D414-R444 PolarHBondContact OD2-NH2 2.92Å
415E97.9Very high94.9Very high25 Ų2530.7 Ų30.712%0.11717%0.173CC..Hα-helixtrans-106.4-29.6174-63.7-179.8-164.600112.9R77 P412 R413 Y441R77-E415 IonicContact CZ-OE1 3.5Å; R77-E415 IonicContact CZ-OE2 3.11Å; R77-E415 IonicContact NH1-OE1 3.26Å; R77-E415 PolarHBondContact NH1-OE1 3.11Å; R77-E415 IonicContact NH1-OE2 2.72Å; R77-E415 IonicContact NH2-OE1 3.34Å; R77-E415 PolarHBondContact NH2-OE1 3.08Å; R77-E415 IonicContact NH2-OE2 3.41Å; R77-E415 PolarHBondContact NH2-OE2 3.48Å; P412-E415 HydrophobicContact CB-CB 4.05Å; P412-E415 HydrophobicContact CB-CG 3.84Å; P412-E415 HydrophobicContact CG-CB 4.49Å; P412-E415 HydrophobicContact CG-CG 4.25Å; P412-E415 PolarHBondContact O-N 2.66Å; P412-E415 VanDerWaalsContact O-N 3.1Å; R413-E415 PolarHBondContact O-N 3.18Å; R413-E415 VanDerWaalsContact O-N 3.16Å; E415-Y441 HydrophobicContact CB-CD2 4.18Å; E415-Y441 HydrophobicContact CB-CE2 3.96Å; E415-Y441 HydrophobicContact CG-CD2 4.06Å; E415-Y441 HydrophobicContact CG-CE2 3.91Å
416Q98.3Very high94.4Very high5 Ų528 Ų282%0.02317%0.169CC..Hα-helixtrans-134.8-9.1-165-63.7-137.735.800115.6N251 L253 K255 D258 E275 V411 P412 R413N251-Q416 PolarHBondContact ND2-O 3.29Å; N251-Q416 PolarHBondContact OD1-O 2.96Å; L253-Q416 VanDerWaalsContact CB-C 3.42Å; K255-Q416 VanDerWaalsContact CG-CD 3.46Å; K255-Q416 HydrophobicContact CG-CG 4.04Å; D258-Q416 PolarHBondContact OD2-NE2 2.86Å; D258-Q416 PolarHBondContact OD2-OE1 2.86Å; D258-Q416 VanDerWaalsContact OD2-OE1 3.1Å; E275-Q416 PolarHBondContact OE1-OE1 3.45Å; V411-Q416 HydrophobicContact CB-CB 4Å; V411-Q416 HydrophobicContact CB-CG 3.94Å; V411-Q416 HydrophobicContact CG1-CG 4.43Å; V411-Q416 HydrophobicContact CG2-CB 3.59Å; V411-Q416 HydrophobicContact CG2-CG 4.1Å; P412-Q416 PolarHBondContact O-N 2.88Å; R413-Q416 PolarHBondContact O-N 3.13Å
417F98Very high93.8Very high12 Ų1235.6 Ų35.65%0.05321%0.209CC..  trans-139.6106.6-177.1-174.7-120.1000113.6N251 V277 I340 R413 P419N251-F417 WeakPolarHBondContact OD1-CA 3.31Å; V277-F417 HydrophobicContact CG1-CB 3.61Å; V277-F417 HydrophobicContact CG1-CD1 4.21Å; V277-F417 HydrophobicContact CG1-CG 4.11Å; V277-F417 HydrophobicContact CG2-CD1 3.84Å; V277-F417 HydrophobicContact CG2-CE1 4.23Å; V277-F417 HydrophobicContact CG2-CG 4.47Å; I340-F417 HydrophobicContact CB-CD2 3.69Å; I340-F417 HydrophobicContact CB-CE2 3.7Å; I340-F417 HydrophobicContact CB-CG 4.32Å; I340-F417 HydrophobicContact CB-CZ 4.32Å; I340-F417 HydrophobicContact CD1-CB 4.45Å; I340-F417 HydrophobicContact CD1-CD2 4.3Å; I340-F417 HydrophobicContact CG2-CB 4.39Å; I340-F417 HydrophobicContact CG2-CD1 3.86Å; I340-F417 HydrophobicContact CG2-CD2 3.49Å; I340-F417 VanDerWaalsContact CG2-CD2 3.49Å; I340-F417 HydrophobicContact CG2-CE1 3.89Å; I340-F417 HydrophobicContact CG2-CE2 3.54Å; I340-F417 HydrophobicContact CG2-CG 3.65Å; I340-F417 HydrophobicContact CG2-CZ 3.73Å; R413-F417 HydrophobicContact CG-CB 4.33Å; R413-F417 HydrophobicContact CG-CD1 4.2Å; R413-F417 WeakPolarHBondContact CG-O 3.27Å; R413-F417 CarbonylContact O-C 3.41Å; R413-F417 WeakPolarHBondContact O-CA 3.16Å; R413-F417 PolarHBondContact O-N 3.43Å; F417-P419 HydrophobicContact CE1-CG 4.01Å; F417-P419 HydrophobicContact CE2-CB 3.89Å; F417-P419 HydrophobicContact CE2-CG 3.93Å; F417-P419 HydrophobicContact CZ-CB 3.99Å; F417-P419 HydrophobicContact CZ-CG 3.56Å
418S97.2Very high93.4Very high1 Ų139 Ų391%0.00722%0.223CC..  trans-142.899.3165.5-178.20000109N251 I252 A434 D437N251-S418 PolarHBondContact OD1-N 2.85Å; N251-S418 PolarHBondContact OD1-O 3.23Å; I252-S418 PolarHBondContact N-O 3.14Å; S418-A434 WeakPolarHBondContact OG-CA 3.11Å; S418-D437 VanDerWaalsContact CB-OD2 3.3Å; S418-D437 WeakPolarHBondContact CB-OD2 3.44Å; S418-D437 PolarHBondContact OG-OD2 2.91Å
419P95.1Very high93Very high3 Ų340.2 Ų40.22%0.01923%0.23CC..BIsolated β-bridgetrans-86.2145.6-170.635.2-36.8000112.8D250 F417 K421 D429D250-P419 CarbonylContact O-C 3.58Å; D250-P419 VanDerWaalsContact O-CA 3.31Å; D250-P419 WeakPolarHBondContact O-CA 3.26Å; F417-P419 HydrophobicContact CE1-CG 4.01Å; F417-P419 HydrophobicContact CE2-CB 3.89Å; F417-P419 HydrophobicContact CE2-CG 3.93Å; F417-P419 HydrophobicContact CZ-CB 3.99Å; F417-P419 HydrophobicContact CZ-CG 3.56Å; P419-K421 HydrophobicContact CB-CD 4.23Å; P419-K421 HydrophobicContact CB-CG 4.11Å; P419-K421 HydrophobicContact CG-CD 4.33Å; P419-D429 HydrophobicContact CG-CB 4.03Å; P419-D429 WeakPolarHBondContact CG-OD1 3.46Å; P419-D429 CarbonylContact O-C 3.49Å; P419-D429 WeakPolarHBondContact O-CA 3.33Å; P419-D429 WeakPolarHBondContact O-CB 3.43Å
420L93.2Very high92.8Very high0 Ų040.3 Ų40.30%023%0.231CC..  trans-99.377172.1-73.1169000109.7L113 K119 Y122 P124 L132 D250 P431 A434L113-L420 HydrophobicContact CD1-CB 4.43Å; L113-L420 HydrophobicContact CD2-CB 4.33Å; K119-L420 PolarHBondContact NZ-O 2.94Å; Y122-L420 HydrophobicContact CD1-CD1 4.39Å; P124-L420 HydrophobicContact CB-CD1 4.48Å; L132-L420 HydrophobicContact CD1-CD1 3.79Å; L132-L420 HydrophobicContact CD2-CD1 3.78Å; L132-L420 HydrophobicContact CG-CD1 4.17Å; D250-L420 HydrophobicContact CB-CB 4.48Å; D250-L420 PolarHBondContact O-N 3.17Å; L420-P431 HydrophobicContact CD2-CB 4.45Å; L420-P431 HydrophobicContact CD2-CG 4.29Å; L420-A434 HydrophobicContact CD2-CB 3.44Å; L420-A434 VanDerWaalsContact CD2-CB 3.44Å; L420-A434 HydrophobicContact CG-CB 3.85Å
421K87.4Confident92.5Very high64 Ų6439.8 Ų39.828%0.27823%0.228SC..  trans-98.6-32-177.8-75176.3179.7-1780113R112 P419 D429R112-K421 WeakPolarHBondContact CD-O 3.28Å; P419-K421 HydrophobicContact CB-CD 4.23Å; P419-K421 HydrophobicContact CB-CG 4.11Å; P419-K421 HydrophobicContact CG-CD 4.33Å; K421-D429 HydrophobicContact CB-CB 4.16Å; K421-D429 PolarHBondContact N-O 3Å
422N90.1Very high92.2Very high53 Ų5345.4 Ų45.428%0.28325%0.253SS..SBendtrans-116.8153.7-170.9-57.6-40000111.4L113 T426 K428 D429 C430 P431L113-N422 WeakPolarHBondContact CD2-O 3.45Å; N422-T426 HydrophobicContact CB-CG2 3.97Å; N422-T426 WeakPolarHBondContact CB-OG1 3.42Å; N422-K428 PolarHBondContact ND2-O 3.13Å; N422-D429 PolarHBondContact N-O 3.4Å; N422-C430 HydrophobicContact CB-CB 4.49Å; N422-P431 WeakPolarHBondContact O-CD 3.23Å
423G86.2Confident92Very high13 Ų1346 Ų4613%0.13426%0.256CS..  trans-74.5174.1-17900000114.2R112 T426R112-G423 WeakPolarHBondContact O-CA 3.37Å; R112-G423 PolarHBondContact O-N 3.23Å; R112-G423 VanDerWaalsContact O-N 3.08Å; G423-T426 PolarHBondContact O-N 3.21Å; G423-T426 PolarHBondContact O-OG1 3.09Å
424P85.1Confident92Very high65 Ų6543.2 Ų43.242%0.42225%0.245SC..THydrogen-bonded Turntrans-51144.8170.9-24.433.8000112.2T426 P431 I522P424-T426 PolarHBondContact O-N 3Å; P424-P431 HydrophobicContact CG-CG 4.34Å; P424-I522 HydrophobicContact CB-CG2 4.22Å; P424-I522 HydrophobicContact CG-CG2 4.14Å
425G84Confident91.9Very high86 Ų8640.3 Ų40.389%0.88723%0.229SC*.THydrogen-bonded Turntrans86.6-11.4178.900000116
426T86.3Confident91.8Very high59 Ų5940.7 Ų40.736%0.36223%0.231SC..  trans-79.9154.2172.765.90000112.4N422 G423 P424 K428 C430N422-T426 HydrophobicContact CB-CG2 3.97Å; N422-T426 WeakPolarHBondContact CB-OG1 3.42Å; G423-T426 PolarHBondContact O-N 3.21Å; G423-T426 PolarHBondContact O-OG1 3.09Å; P424-T426 PolarHBondContact O-N 3Å; T426-K428 PolarHBondContact O-N 3.41Å; T426-K428 PolarHBondContact OG1-O 3.29Å; T426-C430 PolarHBondContact O-SG 3.15Å; T426-C430 VanDerWaalsContact OG1-CB 3.24Å; T426-C430 WeakPolarHBondContact OG1-CB 3.2Å
427I87.1Confident91.7Very high165 Ų16543.1 Ų43.185%0.84624%0.244SC*.SBendtrans-67.2-34.2-173-61.1170.9000113.3T433I427-T433 WeakPolarHBondContact O-CG2 3.29Å
428K89.3Confident91.7Very high94 Ų9442.5 Ų42.541%0.40924%0.242SC..SBendtrans-143.5162.7-173.167.3178.9-179.1-177.50112.9N422 T426 C430N422-K428 PolarHBondContact ND2-O 3.13Å; T426-K428 PolarHBondContact O-N 3.41Å; T426-K428 PolarHBondContact OG1-O 3.29Å; K428-C430 PolarHBondContact O-N 2.99Å
429D91.7Very high91.7Very high28 Ų2842.5 Ų42.515%0.1524%0.241CC..SBendtrans53.139.4177.3-52.2-32.5000112.8P419 K421 N422 T433P419-D429 HydrophobicContact CG-CB 4.03Å; P419-D429 WeakPolarHBondContact CG-OD1 3.46Å; P419-D429 CarbonylContact O-C 3.49Å; P419-D429 WeakPolarHBondContact O-CA 3.33Å; P419-D429 WeakPolarHBondContact O-CB 3.43Å; K421-D429 HydrophobicContact CB-CB 4.16Å; K421-D429 PolarHBondContact N-O 3Å; N422-D429 PolarHBondContact N-O 3.4Å; D429-T433 PolarHBondContact N-OG1 3.2Å
430C93Very high91.8Very high2 Ų244.9 Ų44.91%0.01425%0.254CS..SBendtrans-124.9170-172.879.50000111N422 T426 K428 K432 T433 A434N422-C430 HydrophobicContact CB-CB 4.49Å; T426-C430 PolarHBondContact O-SG 3.15Å; T426-C430 VanDerWaalsContact OG1-CB 3.24Å; T426-C430 WeakPolarHBondContact OG1-CB 3.2Å; K428-C430 PolarHBondContact O-N 2.99Å; C430-K432 PolarHBondContact O-N 3Å; C430-K432 VanDerWaalsContact O-N 3.16Å; C430-T433 PolarHBondContact N-OG1 3.04Å; C430-T433 PolarHBondContact O-N 2.78Å; C430-T433 PolarHBondContact O-OG1 3.31Å; C430-T433 VanDerWaalsContact O-OG1 3.11Å; C430-A434 WeakPolarHBondContact O-CB 3.39Å; C430-A434 PolarHBondContact O-N 3.47Å
431P93.2Very high92.1Very high1 Ų145.2 Ų45.21%0.00626%0.255CS..Hα-helixtrans-51-40.8-179.7-29.536.4000114.1Y122 L420 N422 P424 R435Y122-P431 HydrophobicContact CE1-CB 4Å; Y122-P431 HydrophobicContact CE1-CG 3.72Å; Y122-P431 WeakPolarHBondContact OH-CG 3.18Å; L420-P431 HydrophobicContact CD2-CB 4.45Å; L420-P431 HydrophobicContact CD2-CG 4.29Å; N422-P431 WeakPolarHBondContact O-CD 3.23Å; P424-P431 HydrophobicContact CG-CG 4.34Å; P431-R435 VanDerWaalsContact O-CB 3.27Å; P431-R435 WeakPolarHBondContact O-CB 3.36Å; P431-R435 PolarHBondContact O-N 2.91Å
432K92.7Very high92.6Very high123 Ų12342.7 Ų42.754%0.53524%0.244SC..Hα-helixtrans-65.6-49.2179.6-177.5177.7178.8174.40112.1C430 L436 D467C430-K432 PolarHBondContact O-N 3Å; C430-K432 VanDerWaalsContact O-N 3.16Å; K432-L436 WeakPolarHBondContact O-CB 3.38Å; K432-L436 PolarHBondContact O-N 3.04Å; K432-L436 VanDerWaalsContact O-N 3.08Å; K432-D467 IonicContact NZ-OD1 3.61Å; K432-D467 PolarHBondContact NZ-OD1 3.2Å
433T94Very high93Very high32 Ų3240.7 Ų40.720%0.19623%0.234CC..Hα-helixtrans-68.2-41.5-179.858.10000111.2I427 D429 C430 R435 L436 D437I427-T433 WeakPolarHBondContact O-CG2 3.29Å; D429-T433 PolarHBondContact N-OG1 3.2Å; C430-T433 PolarHBondContact N-OG1 3.04Å; C430-T433 PolarHBondContact O-N 2.78Å; C430-T433 PolarHBondContact O-OG1 3.31Å; C430-T433 VanDerWaalsContact O-OG1 3.11Å; T433-R435 PolarHBondContact O-N 2.85Å; T433-L436 PolarHBondContact O-N 2.96Å; T433-D437 WeakPolarHBondContact O-CB 3.42Å; T433-D437 PolarHBondContact O-N 3.22Å
434A95.3Very high93.5Very high0 Ų043.7 Ų43.70%024%0.241CC..Hα-helixtrans-62.4-42.9177.600000113.1I252 S418 L420 C430 L438I252-A434 HydrophobicContact CB-CB 4.47Å; I252-A434 HydrophobicContact CD1-CB 4.4Å; I252-A434 HydrophobicContact CG2-CB 3.98Å; S418-A434 WeakPolarHBondContact OG-CA 3.11Å; L420-A434 HydrophobicContact CD2-CB 3.44Å; L420-A434 VanDerWaalsContact CD2-CB 3.44Å; L420-A434 HydrophobicContact CG-CB 3.85Å; C430-A434 WeakPolarHBondContact O-CB 3.39Å; C430-A434 PolarHBondContact O-N 3.47Å; A434-L438 PolarHBondContact O-N 3.17Å; A434-L438 VanDerWaalsContact O-N 3.13Å
435R95.4Very high94.2Very high16 Ų1641.4 Ų41.46%0.0623%0.226CC..Hα-helixtrans-56.9-50.9171.9171.9175.5175.4172.8-3.6110.7P124 N125 L126 P431 T433 L438 L439P124-R435 WeakPolarHBondContact O-CB 3.49Å; N125-R435 PolarHBondContact ND2-NH1 2.78Å; N125-R435 VanDerWaalsContact O-CD 3.24Å; N125-R435 WeakPolarHBondContact O-CD 3.34Å; N125-R435 PolarHBondContact O-NE 2.9Å; N125-R435 VanDerWaalsContact O-NE 3.12Å; N125-R435 PolarHBondContact O-NH1 2.76Å; L126-R435 HydrophobicContact CD2-CB 4.46Å; L126-R435 HydrophobicContact CD2-CG 4.19Å; P431-R435 VanDerWaalsContact O-CB 3.27Å; P431-R435 WeakPolarHBondContact O-CB 3.36Å; P431-R435 PolarHBondContact O-N 2.91Å; T433-R435 PolarHBondContact O-N 2.85Å; R435-L438 PolarHBondContact O-N 3.14Å; R435-L439 HydrophobicContact CG-CD1 3.87Å; R435-L439 HydrophobicContact CG-CG 4.49Å; R435-L439 VanDerWaalsContact O-CG 3.27Å; R435-L439 WeakPolarHBondContact O-CG 3.3Å; R435-L439 PolarHBondContact O-N 3.41Å
436L95.1Very high94.8Very high33 Ų3337.3 Ų37.317%0.17318%0.184CC..Hα-helixtrans-63.7-42.9-177.3-179.962.4000112K432 T433 L438 L439 N440 S468 V469 L474K432-L436 WeakPolarHBondContact O-CB 3.38Å; K432-L436 PolarHBondContact O-N 3.04Å; K432-L436 VanDerWaalsContact O-N 3.08Å; T433-L436 PolarHBondContact O-N 2.96Å; L436-L438 PolarHBondContact O-N 3.42Å; L436-L439 PolarHBondContact O-N 3.01Å; L436-N440 VanDerWaalsContact O-CB 3.32Å; L436-N440 WeakPolarHBondContact O-CB 3.37Å; L436-N440 VanDerWaalsContact O-CG 3.22Å; L436-N440 PolarHBondContact O-N 3.13Å; L436-N440 PolarHBondContact O-ND2 3.17Å; L436-S468 WeakPolarHBondContact CD1-OG 3.09Å; L436-S468 WeakPolarHBondContact CD2-OG 3.31Å; L436-V469 HydrophobicContact CD1-CG2 4.29Å; L436-L474 HydrophobicContact CD1-CD1 4.24Å
437D97Very high95.4Very high55 Ų5539.4 Ų39.429%0.29419%0.189SC..Hα-helixtrans-62.4-43.6179.5-67.7-23.4000111.6L253 S418 T433 N440 Y441L253-D437 HydrophobicContact CD1-CB 4.3Å; S418-D437 VanDerWaalsContact CB-OD2 3.3Å; S418-D437 WeakPolarHBondContact CB-OD2 3.44Å; S418-D437 PolarHBondContact OG-OD2 2.91Å; T433-D437 WeakPolarHBondContact O-CB 3.42Å; T433-D437 PolarHBondContact O-N 3.22Å; D437-N440 PolarHBondContact O-N 2.48Å; D437-Y441 WeakPolarHBondContact O-CB 3.47Å; D437-Y441 PolarHBondContact O-N 2.97Å
438L97.9Very high95.9Very high0 Ų038 Ų380%018%0.184CC..Hα-helixtrans-62.6-46.6175-174.972.5000111.8L126 L135 I252 L253 A434 R435 L436 Y441 H442L126-L438 HydrophobicContact CD1-CD2 3.62Å; L126-L438 HydrophobicContact CD2-CD2 3.66Å; L126-L438 HydrophobicContact CG-CD2 4.31Å; L135-L438 HydrophobicContact CD1-CD2 4.38Å; L135-L438 HydrophobicContact CD2-CD2 4.39Å; I252-L438 HydrophobicContact CD1-CB 4.18Å; I252-L438 HydrophobicContact CD1-CD2 3.92Å; I252-L438 HydrophobicContact CG1-CD2 4.21Å; I252-L438 HydrophobicContact CG2-CB 4.49Å; L253-L438 HydrophobicContact CD2-CB 4.27Å; L253-L438 HydrophobicContact CD2-CD1 3.7Å; A434-L438 PolarHBondContact O-N 3.17Å; A434-L438 VanDerWaalsContact O-N 3.13Å; R435-L438 PolarHBondContact O-N 3.14Å; L436-L438 PolarHBondContact O-N 3.42Å; L438-Y441 PolarHBondContact O-N 2.74Å; L438-H442 WeakPolarHBondContact O-CB 3.39Å; L438-H442 PolarHBondContact O-N 3.25Å
439L97.4Very high96.3Very high0 Ų034.8 Ų34.80%017%0.174CC..Hα-helixtrans-63.6-41.3178.5-69175000111.5P127 R435 L436 H442 T443 L474 E476 L499P127-L439 HydrophobicContact CG-CD2 4.2Å; R435-L439 HydrophobicContact CG-CD1 3.87Å; R435-L439 HydrophobicContact CG-CG 4.49Å; R435-L439 VanDerWaalsContact O-CG 3.27Å; R435-L439 WeakPolarHBondContact O-CG 3.3Å; R435-L439 PolarHBondContact O-N 3.41Å; L436-L439 PolarHBondContact O-N 3.01Å; L439-H442 PolarHBondContact O-N 3.42Å; L439-T443 VanDerWaalsContact O-CB 3.27Å; L439-T443 WeakPolarHBondContact O-CB 3.34Å; L439-T443 PolarHBondContact O-N 3.07Å; L439-T443 PolarHBondContact O-OG1 2.84Å; L439-L474 HydrophobicContact CB-CB 4.35Å; L439-L474 HydrophobicContact CB-CD1 4.25Å; L439-L474 HydrophobicContact CB-CD2 4.18Å; L439-L474 HydrophobicContact CD1-CD1 4.08Å; L439-E476 HydrophobicContact CD2-CB 3.73Å; L439-L499 HydrophobicContact CD1-CD1 4.02Å; L439-L499 HydrophobicContact CD2-CD1 4.27Å
440N97.3Very high96.6Very high53 Ų5335 Ų3528%0.28318%0.183SC..Hα-helixtrans-63-44.1175.5-76.4-26.9000111.4L436 D437 T443 R444 L474L436-N440 VanDerWaalsContact O-CB 3.32Å; L436-N440 WeakPolarHBondContact O-CB 3.37Å; L436-N440 VanDerWaalsContact O-CG 3.22Å; L436-N440 PolarHBondContact O-N 3.13Å; L436-N440 PolarHBondContact O-ND2 3.17Å; D437-N440 PolarHBondContact O-N 2.48Å; N440-T443 PolarHBondContact O-N 3.26Å; N440-R444 VanDerWaalsContact C-NH1 3.31Å; N440-R444 WeakPolarHBondContact O-CG 3.39Å; N440-R444 PolarHBondContact O-N 3.22Å; N440-R444 PolarHBondContact O-NH1 3.19Å; N440-L474 WeakPolarHBondContact OD1-CD2 3.43Å
441Y98.2Very high96.8Very high8 Ų835.3 Ų35.33%0.03119%0.186CC..Hα-helixtrans-59.9-50.7176.2171.2-112.1000111.5L253 K255 E415 D437 L438 T443 R444 L445 N484L253-Y441 HydrophobicContact CD2-CD1 4.3Å; L253-Y441 HydrophobicContact CD2-CG 4.41Å; K255-Y441 PolarHBondContact NZ-OH 2.79Å; E415-Y441 HydrophobicContact CB-CD2 4.18Å; E415-Y441 HydrophobicContact CB-CE2 3.96Å; E415-Y441 HydrophobicContact CG-CD2 4.06Å; E415-Y441 HydrophobicContact CG-CE2 3.91Å; D437-Y441 WeakPolarHBondContact O-CB 3.47Å; D437-Y441 PolarHBondContact O-N 2.97Å; L438-Y441 PolarHBondContact O-N 2.74Å; Y441-T443 VanDerWaalsContact C-N 3.29Å; Y441-T443 PolarHBondContact O-N 3.12Å; Y441-R444 PolarHBondContact O-N 2.68Å; Y441-L445 HydrophobicContact CD1-CD1 4.38Å; Y441-L445 HydrophobicContact CE1-CD1 3.69Å; Y441-L445 HydrophobicContact CE1-CG 4.29Å; Y441-L445 HydrophobicContact CE2-CD1 4.39Å; Y441-L445 HydrophobicContact CE2-CD2 4.06Å; Y441-L445 HydrophobicContact CE2-CG 4.2Å; Y441-L445 PolarHBondContact O-N 3.27Å; Y441-N484 PolarHBondContact OH-OD1 3.41Å
442H98.5Very high97Very high10 Ų1039.1 Ų39.15%0.04621%0.205CC..Hα-helixtrans-61.2-36.8176.9-71.5169.2000112.8L438 L439 L445 A446 I475 I477L438-H442 WeakPolarHBondContact O-CB 3.39Å; L438-H442 PolarHBondContact O-N 3.25Å; L439-H442 PolarHBondContact O-N 3.42Å; H442-L445 WeakPolarHBondContact O-CB 3.45Å; H442-L445 PolarHBondContact O-N 3.38Å; H442-A446 PolarHBondContact O-N 3.08Å; H442-I475 WeakPolarHBondContact CB-O 3.45Å; H442-I477 HydrophobicContact CB-CB 4.37Å; H442-I477 HydrophobicContact CB-CD1 4.12Å; H442-I477 HydrophobicContact CB-CG1 4.07Å; H442-I477 PolarHBondContact CE1-O 3.41Å; H442-I477 PolarHBondContact ND1-N 3.46Å; H442-I477 WeakPolarHBondContact O-CD1 3.49Å
443T97.9Very high97.2Very high12 Ų1235.8 Ų35.87%0.07419%0.193CC..Hα-helixtrans-64.9-40.9175.7-56.10000111.5L439 N440 Y441 L445 A446 E447 L453 P473 L474 I475L439-T443 VanDerWaalsContact O-CB 3.27Å; L439-T443 WeakPolarHBondContact O-CB 3.34Å; L439-T443 PolarHBondContact O-N 3.07Å; L439-T443 PolarHBondContact O-OG1 2.84Å; N440-T443 PolarHBondContact O-N 3.26Å; Y441-T443 VanDerWaalsContact C-N 3.29Å; Y441-T443 PolarHBondContact O-N 3.12Å; T443-L445 VanDerWaalsContact C-N 3.33Å; T443-L445 PolarHBondContact O-N 2.92Å; T443-A446 PolarHBondContact O-N 3.45Å; T443-E447 WeakPolarHBondContact O-CB 3.34Å; T443-E447 PolarHBondContact O-N 3.16Å; T443-L453 HydrophobicContact CG2-CD1 3.81Å; T443-L453 HydrophobicContact CG2-CD2 3.72Å; T443-L453 HydrophobicContact CG2-CG 4.45Å; T443-P473 WeakPolarHBondContact CG2-O 3.26Å; T443-L474 WeakPolarHBondContact OG1-CA 3.42Å; T443-I475 PolarHBondContact OG1-N 3.34Å; T443-I475 VanDerWaalsContact OG1-N 3.17Å
444R97.7Very high97.1Very high75 Ų7536 Ų3628%0.28319%0.194SC..Hα-helixtrans-62.5-38.7171.8-69-167.2-55.7-76.17.5112.1D414 N440 Y441 E447 N448D414-R444 VanDerWaalsContact CG-NH2 3.32Å; D414-R444 PolarHBondContact O-NH2 2.81Å; D414-R444 IonicContact OD2-CZ 3.91Å; D414-R444 VanDerWaalsContact OD2-CZ 3.23Å; D414-R444 IonicContact OD2-NE 3.89Å; D414-R444 IonicContact OD2-NH1 2.73Å; D414-R444 IonicContact OD2-NH2 3.75Å; D414-R444 PolarHBondContact OD2-NH2 2.92Å; N440-R444 VanDerWaalsContact C-NH1 3.31Å; N440-R444 WeakPolarHBondContact O-CG 3.39Å; N440-R444 PolarHBondContact O-N 3.22Å; N440-R444 PolarHBondContact O-NH1 3.19Å; Y441-R444 PolarHBondContact O-N 2.68Å; R444-E447 PolarHBondContact O-N 3.39Å; R444-N448 VanDerWaalsContact O-CB 3.31Å; R444-N448 WeakPolarHBondContact O-CB 3.47Å; R444-N448 PolarHBondContact O-N 2.77Å; R444-N448 PolarHBondContact O-ND2 3.02Å
445L98.3Very high96.6Very high18 Ų1841.2 Ų41.29%0.09422%0.222CC..Hα-helixtrans-63.1-43174.5-64-175.3000112Y441 H442 T443 N448 A449 I477 T482 L488Y441-L445 HydrophobicContact CD1-CD1 4.38Å; Y441-L445 HydrophobicContact CE1-CD1 3.69Å; Y441-L445 HydrophobicContact CE1-CG 4.29Å; Y441-L445 HydrophobicContact CE2-CD1 4.39Å; Y441-L445 HydrophobicContact CE2-CD2 4.06Å; Y441-L445 HydrophobicContact CE2-CG 4.2Å; Y441-L445 PolarHBondContact O-N 3.27Å; H442-L445 WeakPolarHBondContact O-CB 3.45Å; H442-L445 PolarHBondContact O-N 3.38Å; T443-L445 VanDerWaalsContact C-N 3.33Å; T443-L445 PolarHBondContact O-N 2.92Å; L445-N448 PolarHBondContact O-N 3.05Å; L445-A449 WeakPolarHBondContact O-CB 3.09Å; L445-A449 PolarHBondContact O-N 2.9Å; L445-I477 HydrophobicContact CB-CD1 4.26Å; L445-T482 HydrophobicContact CD1-CG2 4.36Å; L445-L488 HydrophobicContact CB-CD1 3.76Å
446A98.3Very high95.4Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-62.8-46.2176.600000112.1H442 T443 A449 G450 A451 I475 I477 L491H442-A446 PolarHBondContact O-N 3.08Å; T443-A446 PolarHBondContact O-N 3.45Å; A446-A449 CarbonylContact O-C 3.55Å; A446-A449 WeakPolarHBondContact O-CA 3.39Å; A446-A449 WeakPolarHBondContact O-CB 3.22Å; A446-A449 PolarHBondContact O-N 3.06Å; A446-A449 VanDerWaalsContact O-N 3.12Å; A446-G450 PolarHBondContact O-N 2.93Å; A446-A451 HydrophobicContact CB-CB 4Å; A446-A451 WeakPolarHBondContact O-CB 3.3Å; A446-A451 PolarHBondContact O-N 3.39Å; A446-I475 HydrophobicContact CB-CG2 3.85Å; A446-I477 HydrophobicContact CB-CD1 4.4Å; A446-L491 HydrophobicContact CB-CD1 3.62Å
447E97.6Very high93.5Very high103 Ų10348.6 Ų48.648%0.48127%0.272SS..Hα-helixtrans-60.9-45.7176.5-174.9175.5-14600111.4T443 R444 A449 G450 L453T443-E447 WeakPolarHBondContact O-CB 3.34Å; T443-E447 PolarHBondContact O-N 3.16Å; R444-E447 PolarHBondContact O-N 3.39Å; E447-A449 PolarHBondContact O-N 3.17Å; E447-G450 WeakPolarHBondContact O-CA 3.3Å; E447-G450 PolarHBondContact O-N 3.36Å; E447-L453 HydrophobicContact CB-CD1 4.38Å; E447-L453 HydrophobicContact CG-CD1 4.47Å
448N97.6Very high91.3Very high136 Ų13651.1 Ų51.173%0.72729%0.294SS*.Hα-helixtrans-60.8-28.7174.5-72.5-22.7000112.8R444 L445 G450R444-N448 VanDerWaalsContact O-CB 3.31Å; R444-N448 WeakPolarHBondContact O-CB 3.47Å; R444-N448 PolarHBondContact O-N 2.77Å; R444-N448 PolarHBondContact O-ND2 3.02Å; L445-N448 PolarHBondContact O-N 3.05Å; N448-G450 VanDerWaalsContact C-N 3.26Å
449A97.9Very high88.8Confident25 Ų2553.7 Ų53.721%0.20731%0.31CS..THydrogen-bonded Turntrans-80.8-4173.500000113.7L445 A446 E447 L488L445-A449 WeakPolarHBondContact O-CB 3.09Å; L445-A449 PolarHBondContact O-N 2.9Å; A446-A449 CarbonylContact O-C 3.55Å; A446-A449 WeakPolarHBondContact O-CA 3.39Å; A446-A449 WeakPolarHBondContact O-CB 3.22Å; A446-A449 PolarHBondContact O-N 3.06Å; A446-A449 VanDerWaalsContact O-N 3.12Å; E447-A449 PolarHBondContact O-N 3.17Å; A449-L488 HydrophobicContact CB-CB 3.52Å; A449-L488 WeakPolarHBondContact CB-O 3.39Å
450G98Very high86.1Confident32 Ų3258.6 Ų58.633%0.3334%0.344SS..THydrogen-bonded Turntrans98.516.9176.300000115A446 E447 N448 G493A446-G450 PolarHBondContact O-N 2.93Å; E447-G450 WeakPolarHBondContact O-CA 3.3Å; E447-G450 PolarHBondContact O-N 3.36Å; N448-G450 VanDerWaalsContact C-N 3.26Å; G450-G493 PolarHBondContact O-N 3.47Å
451A98Very high83.3Confident9 Ų962.5 Ų62.57%0.07437%0.365CS..  trans-64.1149.7169.900000111.3A446 L491 I496A446-A451 HydrophobicContact CB-CB 4Å; A446-A451 WeakPolarHBondContact O-CB 3.3Å; A446-A451 PolarHBondContact O-N 3.39Å; A451-L491 VanDerWaalsContact CA-O 3.31Å; A451-L491 WeakPolarHBondContact CA-O 3.37Å; A451-L491 HydrophobicContact CB-CB 4.24Å; A451-L491 PolarHBondContact N-O 3.24Å; A451-I496 HydrophobicContact CB-CG1 4.13Å
452I97.4Very high80.5Confident82 Ų8266.1 Ų66.142%0.42141%0.405SS..EExtended strand (participates in β ladder)trans-105.3109178.5-57.7172.1000108.1V454 V494 K495 I496I452-V454 HydrophobicContact CG2-CG2 4.41Å; I452-V454 PolarHBondContact O-N 3.46Å; I452-V494 PolarHBondContact N-O 3.31Å; I452-K495 HydrophobicContact CB-CG 4.27Å; I452-K495 HydrophobicContact CG2-CG 4.45Å; I452-K495 CarbonylContact O-C 3.59Å; I452-K495 WeakPolarHBondContact O-CA 3.49Å; I452-I496 PolarHBondContact O-N 3.08Å
453L95.5Very high77.6Confident52 Ų5272.2 Ų72.227%0.27244%0.438SS..EExtended strand (participates in β ladder)trans-76.1118.7177.1-60.1-172.8000109.9T443 E447 P473 I496T443-L453 HydrophobicContact CG2-CD1 3.81Å; T443-L453 HydrophobicContact CG2-CD2 3.72Å; T443-L453 HydrophobicContact CG2-CG 4.45Å; E447-L453 HydrophobicContact CB-CD1 4.38Å; E447-L453 HydrophobicContact CG-CD1 4.47Å; L453-P473 HydrophobicContact CB-CG 3.6Å; L453-P473 HydrophobicContact CD2-CB 4.35Å; L453-P473 HydrophobicContact CD2-CG 4.11Å; L453-P473 HydrophobicContact CG-CG 4.29Å; L453-I496 HydrophobicContact CD2-CB 4.19Å
454V92.3Very high74.5Confident37 Ų3775.7 Ų75.722%0.22448%0.476CS..EExtended strand (participates in β ladder)trans-106.9110.1179.6-172.50000109.6I452 K495 I496 H497I452-V454 HydrophobicContact CG2-CG2 4.41Å; I452-V454 PolarHBondContact O-N 3.46Å; V454-K495 HydrophobicContact CG2-CB 3.93Å; V454-K495 HydrophobicContact CG2-CD 4.21Å; V454-K495 HydrophobicContact CG2-CG 4.1Å; V454-I496 PolarHBondContact N-O 3.19Å; V454-H497 VanDerWaalsContact CG1-CE1 3.46Å; V454-H497 WeakPolarHBondContact CG1-CE1 3.3Å
455N85.1Confident71.6Confident110 Ų11080.5 Ų80.559%0.58850%0.501SS*.  trans-81.5118.2172.1-63.6-30.7000109S457 P473N455-S457 PolarHBondContact O-N 2.71Å; N455-P473 WeakPolarHBondContact OD1-CD 3.28Å
456D70.2Confident68.6Low82 Ų8284.2 Ų84.244%0.43953%0.525SS..  trans-77.3115.8170.3-68-29.7000108.1S458 H497D456-S458 PolarHBondContact O-N 3.44Å; D456-S458 VanDerWaalsContact O-N 3.13Å; D456-H497 IonicContact OD1-ND1 3.3Å
457S56.3Low66.3Low122 Ų12287.9 Ų87.985%0.85354%0.544SS*.THydrogen-bonded Turntrans-72.2-1.1-176.631.30000113.8N455N455-S457 PolarHBondContact O-N 2.71Å
458S50.4Low64.4Low107 Ų10784.2 Ų84.275%0.74853%0.53SS*.THydrogen-bonded Turntrans-98.20.9-171.1410000115.6D456D456-S458 PolarHBondContact O-N 3.44Å; D456-S458 VanDerWaalsContact O-N 3.13Å
459T45Very low62.5Low55 Ų5578.7 Ų78.734%0.33750%0.501SS..  trans-108.534178.848.10000113.7N461 H470 D471T459-N461 VanDerWaalsContact C-N 3.27Å; T459-N461 PolarHBondContact O-N 2.97Å; T459-H470 PolarHBondContact OG1-O 3.09Å; T459-D471 VanDerWaalsContact O-OD1 3.06Å
460S40.5Very low60.7Low103 Ų10380.5 Ų80.572%0.7251%0.505SS*.  trans-72.385.5162.7590000109.6G462S460-G462 PolarHBondContact O-N 3.38Å; S460-G462 VanDerWaalsContact O-N 3.15Å
461N39.7Very low59.4Low135 Ų13581.4 Ų81.472%0.72250%0.502SS*.  trans-62.4116163.5-80-22.2000107.1T459 N463T459-N461 VanDerWaalsContact C-N 3.27Å; T459-N461 PolarHBondContact O-N 2.97Å; N461-N463 PolarHBondContact O-N 3.1Å
462G38.6Very low58.7Low83 Ų8386.4 Ų86.486%0.85652%0.522SS*.SBendtrans-63.516.4-170.600000117S460S460-G462 PolarHBondContact O-N 3.38Å; S460-G462 VanDerWaalsContact O-N 3.15Å
463N36.5Very low58.5Low138 Ų13882.7 Ų82.774%0.73850%0.504SS*.SBendtrans-106.9106.6171.4-64.5-17.7000106.2N461 H465N461-N463 PolarHBondContact O-N 3.1Å; N463-H465 PolarHBondContact O-N 2.87Å
464G34Very low58.5Low86 Ų8680.3 Ų80.389%0.88749%0.492SS*.SBendtrans-58.924.4-171.400000118.3
465H35.9Very low58.7Low175 Ų17578.6 Ų78.681%0.8148%0.481SS*.  trans-88.3103.3158.7-92.1-59000109.5N463 D467N463-H465 PolarHBondContact O-N 2.87Å; H465-D467 PolarHBondContact O-N 3.16Å
466V37.1Very low59.3Low96 Ų9673.3 Ų73.358%0.58245%0.453SS*.  trans-65.193.6170.3-176.90000108.2S468V466-S468 PolarHBondContact O-N 2.94Å
467D48.5Very low60.7Low77 Ų7769.4 Ų69.441%0.41243%0.432SS..  trans-74.887.1160.9-94.5-25.1000107.4K432 H465 V469 H470K432-D467 IonicContact NZ-OD1 3.61Å; K432-D467 PolarHBondContact NZ-OD1 3.2Å; H465-D467 PolarHBondContact O-N 3.16Å; D467-V469 PolarHBondContact O-N 3.45Å; D467-H470 PolarHBondContact O-N 3.11Å
468S58.6Low62.7Low26 Ų2663.6 Ų63.618%0.18239%0.391CS..THydrogen-bonded Turntrans-59-8.5-161.861.80000117.3L436 V466L436-S468 WeakPolarHBondContact CD1-OG 3.09Å; L436-S468 WeakPolarHBondContact CD2-OG 3.31Å; V466-S468 PolarHBondContact O-N 2.94Å
469V58.1Low65Low20 Ų2058.7 Ų58.712%0.12136%0.357CS..THydrogen-bonded Turntrans-78.5-28.4175.6179.50000111.5L436 D467 L474 I518L436-V469 HydrophobicContact CD1-CG2 4.29Å; D467-V469 PolarHBondContact O-N 3.45Å; V469-L474 HydrophobicContact CB-CD1 4.16Å; V469-L474 HydrophobicContact CG1-CD1 4.1Å; V469-L474 HydrophobicContact CG2-CD1 4.02Å; V469-I518 HydrophobicContact CG1-CG2 4.09Å
470H59.3Low67.5Low63 Ų6357.9 Ų57.929%0.29235%0.35SS..THydrogen-bonded Turntrans-83.7-24.3-178.4-69.4-72.9000113.6T459 D467 I518 D520T459-H470 PolarHBondContact OG1-O 3.09Å; D467-H470 PolarHBondContact O-N 3.11Å; H470-I518 WeakPolarHBondContact CE1-CG2 3.04Å; H470-I518 VanDerWaalsContact ND1-CD1 3.3Å; H470-I518 WeakPolarHBondContact ND1-CD1 3.32Å; H470-D520 IonicContact CD2-OD2 3.42Å; H470-D520 IonicContact CE1-OD2 3.85Å; H470-D520 PolarHBondContact CE1-OD2 3.35Å; H470-D520 IonicContact NE2-OD1 2.94Å; H470-D520 IonicContact NE2-OD2 2.93Å; H470-D520 PolarHBondContact NE2-OD2 3.02Å
471D69.7Low70.2Confident51 Ų5153 Ų5327%0.27332%0.316SS..SBendtrans-100.8-6.4-169.1-61.9-22.4000113.8T459T459-D471 VanDerWaalsContact O-OD1 3.06Å
472K84.7Confident73Confident114 Ų11446.9 Ų46.950%0.49628%0.284SS..SBendtrans-137.5141.8-173.1-63.8-176.5-177.1179.50111.3L474K472-L474 PolarHBondContact O-N 3.38Å
473P92.4Very high75.8Confident5 Ų543.5 Ų43.53%0.03225%0.245CC..  trans-64.6123.8170.628.5-34.4000109.4T443 L453 N455 I496 G498T443-P473 WeakPolarHBondContact CG2-O 3.26Å; L453-P473 HydrophobicContact CB-CG 3.6Å; L453-P473 HydrophobicContact CD2-CB 4.35Å; L453-P473 HydrophobicContact CD2-CG 4.11Å; L453-P473 HydrophobicContact CG-CG 4.29Å; N455-P473 WeakPolarHBondContact OD1-CD 3.28Å; P473-I496 HydrophobicContact CB-CB 4.35Å; P473-I496 HydrophobicContact CB-CG2 3.98Å; P473-I496 WeakPolarHBondContact CB-O 3.3Å; P473-G498 CarbonylContact C-O 3.53Å; P473-G498 VanDerWaalsContact CA-O 3.3Å; P473-G498 WeakPolarHBondContact CA-O 3.45Å
474L95.6Very high78.6Confident2 Ų239.7 Ų39.71%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-127147.7-179.8-69.2177.4000110.2L436 L439 N440 T443 V469 K472 G498 L499 N500L436-L474 HydrophobicContact CD1-CD1 4.24Å; L439-L474 HydrophobicContact CB-CB 4.35Å; L439-L474 HydrophobicContact CB-CD1 4.25Å; L439-L474 HydrophobicContact CB-CD2 4.18Å; L439-L474 HydrophobicContact CD1-CD1 4.08Å; N440-L474 WeakPolarHBondContact OD1-CD2 3.43Å; T443-L474 WeakPolarHBondContact OG1-CA 3.42Å; V469-L474 HydrophobicContact CB-CD1 4.16Å; V469-L474 HydrophobicContact CG1-CD1 4.1Å; V469-L474 HydrophobicContact CG2-CD1 4.02Å; K472-L474 PolarHBondContact O-N 3.38Å; L474-G498 PolarHBondContact N-O 2.97Å; L474-G498 VanDerWaalsContact O-O 3.14Å; L474-L499 HydrophobicContact CB-CD1 3.9Å; L474-L499 CarbonylContact O-C 3.53Å; L474-L499 WeakPolarHBondContact O-CA 3.44Å; L474-N500 PolarHBondContact O-N 3.4Å
475I97.1Very high81.5Confident0 Ų036.9 Ų36.90%020%0.196CC..EExtended strand (participates in β ladder)trans-137.1134.3176.6-173.6171.5000110.7H442 T443 A446 I477 L491 I496 N500 L502 L513H442-I475 WeakPolarHBondContact CB-O 3.45Å; T443-I475 PolarHBondContact OG1-N 3.34Å; T443-I475 VanDerWaalsContact OG1-N 3.17Å; A446-I475 HydrophobicContact CB-CG2 3.85Å; I475-I477 HydrophobicContact CD1-CG1 4.29Å; I475-I477 HydrophobicContact CG1-CG1 4.21Å; I475-I477 HydrophobicContact CG2-CG1 4.48Å; I475-L491 HydrophobicContact CD1-CD1 4.43Å; I475-L491 HydrophobicContact CD1-CD2 4.4Å; I475-I496 HydrophobicContact CD1-CD1 4.22Å; I475-N500 CarbonylContact C-O 3.57Å; I475-N500 VanDerWaalsContact CA-O 3.31Å; I475-N500 WeakPolarHBondContact CA-O 3.48Å; I475-N500 HydrophobicContact CB-CB 4.4Å; I475-N500 HydrophobicContact CG1-CB 4.15Å; I475-L502 HydrophobicContact CD1-CB 4.16Å; I475-L513 HydrophobicContact CD1-CD1 3.53Å; I475-L513 HydrophobicContact CG1-CD1 4.35Å
476E98Very high84.4Confident0 Ų031.1 Ų31.10%017%0.169CC..EExtended strand (participates in β ladder)trans-90.3130.1161.2-171-169.5166.500109.3P127 S128 R130 L439 N500 R501 L502P127-E476 HydrophobicContact CB-CB 4.42Å; P127-E476 WeakPolarHBondContact CB-OE2 3.37Å; P127-E476 WeakPolarHBondContact CD-OE2 3.37Å; P127-E476 HydrophobicContact CG-CB 4.03Å; S128-E476 VanDerWaalsContact CB-OE1 3.23Å; S128-E476 WeakPolarHBondContact CB-OE1 3.44Å; S128-E476 VanDerWaalsContact CB-OE2 3.25Å; S128-E476 WeakPolarHBondContact CB-OE2 3.49Å; S128-E476 PolarHBondContact N-OE2 2.79Å; S128-E476 PolarHBondContact OG-OE1 2.86Å; S128-E476 PolarHBondContact OG-OE2 3.27Å; R130-E476 IonicContact NH1-OE1 2.98Å; R130-E476 PolarHBondContact NH1-OE1 3.04Å; R130-E476 VanDerWaalsContact NH1-OE1 3.11Å; L439-E476 HydrophobicContact CD2-CB 3.73Å; E476-N500 PolarHBondContact N-O 3.18Å; E476-R501 HydrophobicContact CB-CB 4.11Å; E476-R501 CarbonylContact O-C 3.47Å; E476-R501 WeakPolarHBondContact O-CA 3.37Å; E476-L502 PolarHBondContact O-N 3.29Å
477I98.6Very high87.1Confident0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-109.6128.9173.6-59.1169.3000108.5H442 L445 A446 I475 I481 T482 L488 L491 L502H442-I477 HydrophobicContact CB-CB 4.37Å; H442-I477 HydrophobicContact CB-CD1 4.12Å; H442-I477 HydrophobicContact CB-CG1 4.07Å; H442-I477 PolarHBondContact CE1-O 3.41Å; H442-I477 PolarHBondContact ND1-N 3.46Å; H442-I477 WeakPolarHBondContact O-CD1 3.49Å; L445-I477 HydrophobicContact CB-CD1 4.26Å; A446-I477 HydrophobicContact CB-CD1 4.4Å; I475-I477 HydrophobicContact CD1-CG1 4.29Å; I475-I477 HydrophobicContact CG1-CG1 4.21Å; I475-I477 HydrophobicContact CG2-CG1 4.48Å; I477-I481 HydrophobicContact CG2-CB 4.48Å; I477-T482 HydrophobicContact CB-CG2 4.38Å; I477-T482 HydrophobicContact CG2-CG2 3.51Å; I477-L488 HydrophobicContact CD1-CD1 3.9Å; I477-L488 HydrophobicContact CD1-CD2 4.2Å; I477-L488 HydrophobicContact CG2-CD2 3.98Å; I477-L491 HydrophobicContact CD1-CD1 4.44Å; I477-L502 HydrophobicContact CG1-CB 4.33Å; I477-L502 HydrophobicContact CG2-CB 4.42Å; I477-L502 HydrophobicContact CG2-CD2 4.14Å
478S98.4Very high89.5Confident0 Ų026.7 Ų26.70%014%0.142CC..  trans-60.4130.3175171.70000110.9R130 E138 L480 I481 L502R130-S478 PolarHBondContact NH2-OG 3.08Å; R130-S478 VanDerWaalsContact NH2-OG 3.11Å; E138-S478 PolarHBondContact OE2-OG 3.44Å; S478-L480 PolarHBondContact O-N 3.2Å; S478-L480 VanDerWaalsContact O-N 3.12Å; S478-L480 WeakPolarHBondContact OG-CB 3.41Å; S478-L480 PolarHBondContact OG-N 3.44Å; S478-I481 PolarHBondContact O-N 2.8Å; S478-L502 WeakPolarHBondContact CB-O 3.41Å; S478-L502 PolarHBondContact N-O 3.05Å
479P98.2Very high91.3Very high4 Ų431.1 Ų31.13%0.02617%0.168CC..THydrogen-bonded Turntrans-58.4-22.3173.1-23.230.4000114L135 E138 R139 R142 I481 T482L135-P479 HydrophobicContact CD2-CG 4.04Å; E138-P479 HydrophobicContact CB-CB 3.75Å; E138-P479 HydrophobicContact CB-CG 4.11Å; E138-P479 WeakPolarHBondContact OE2-CD 3.46Å; R139-P479 HydrophobicContact CG-CB 3.78Å; R139-P479 HydrophobicContact CG-CG 4.27Å; R142-P479 WeakPolarHBondContact CB-O 3.21Å; R142-P479 WeakPolarHBondContact CG-O 3.37Å; P479-I481 PolarHBondContact O-N 3.05Å; P479-T482 WeakPolarHBondContact CA-O 3.35Å; P479-T482 VanDerWaalsContact O-O 3.14Å
480L97.4Very high93.1Very high37 Ų3733 Ų3319%0.19418%0.182CC..THydrogen-bonded Turntrans-64.7-21.7174.5-65.2173.6000113.3E138 H141 R142 Q145 S478 Q504E138-L480 HydrophobicContact CB-CD2 3.96Å; E138-L480 HydrophobicContact CB-CG 3.93Å; E138-L480 HydrophobicContact CG-CD1 4.18Å; E138-L480 HydrophobicContact CG-CD2 3.94Å; E138-L480 HydrophobicContact CG-CG 3.77Å; H141-L480 HydrophobicContact CB-CD2 3.96Å; R142-L480 WeakPolarHBondContact CD-O 3.35Å; Q145-L480 PolarHBondContact OE1-O 3.08Å; S478-L480 PolarHBondContact O-N 3.2Å; S478-L480 VanDerWaalsContact O-N 3.12Å; S478-L480 WeakPolarHBondContact OG-CB 3.41Å; S478-L480 PolarHBondContact OG-N 3.44Å; L480-Q504 HydrophobicContact CB-CB 4.27Å
481I98.1Very high95Very high1 Ų130.1 Ų30.11%0.00517%0.168CC..THydrogen-bonded Turntrans-89.1-45.5179.1-59.3173000110.7R142 I477 S478 P479 N487 L488 L502 Q504 P511R142-I481 PolarHBondContact NE-O 2.88Å; I477-I481 HydrophobicContact CG2-CB 4.48Å; S478-I481 PolarHBondContact O-N 2.8Å; P479-I481 PolarHBondContact O-N 3.05Å; I481-N487 WeakPolarHBondContact O-CB 3.44Å; I481-N487 PolarHBondContact O-ND2 3.03Å; I481-L488 HydrophobicContact CG2-CD2 4.06Å; I481-L502 HydrophobicContact CD1-CB 4.29Å; I481-L502 HydrophobicContact CD1-CD2 3.8Å; I481-L502 HydrophobicContact CD1-CG 3.59Å; I481-L502 WeakPolarHBondContact CD1-O 3.1Å; I481-L502 HydrophobicContact CG2-CD2 4.35Å; I481-Q504 HydrophobicContact CG1-CB 4Å; I481-P511 HydrophobicContact CD1-CB 4.05Å; I481-P511 HydrophobicContact CD1-CG 4.38Å; I481-P511 HydrophobicContact CG2-CG 3.96Å
482T98.1Very high96.3Very high7 Ų735.7 Ų35.74%0.04319%0.19CC..  trans-141.8137.3-170.8-162.70000111.5L445 I477 P479 G485 E486 L488L445-T482 HydrophobicContact CD1-CG2 4.36Å; I477-T482 HydrophobicContact CB-CG2 4.38Å; I477-T482 HydrophobicContact CG2-CG2 3.51Å; P479-T482 WeakPolarHBondContact CA-O 3.35Å; P479-T482 VanDerWaalsContact O-O 3.14Å; T482-G485 VanDerWaalsContact OG1-C 3.24Å; T482-G485 WeakPolarHBondContact OG1-CA 3.35Å; T482-G485 PolarHBondContact OG1-N 3.23Å; T482-E486 WeakPolarHBondContact CA-OE1 3.38Å; T482-E486 WeakPolarHBondContact CB-O 3.46Å; T482-E486 PolarHBondContact OG1-N 3.41Å; T482-E486 VanDerWaalsContact OG1-N 3.09Å; T482-E486 PolarHBondContact OG1-O 2.89Å; T482-E486 PolarHBondContact OG1-OE2 3.22Å; T482-L488 HydrophobicContact CG2-CD1 4.27Å; T482-L488 HydrophobicContact CG2-CD2 4.06Å; T482-L488 HydrophobicContact CG2-CG 4.38Å
483Y97.7Very high96.9Very high12 Ų1232.5 Ų32.55%0.04719%0.19CC..SBendtrans-94.3-41.4172.3-171-107.3000111.4R139 V143 M146 K255 V256 P257 L259 E486R139-Y483 HydrophobicContact CB-CD2 4.39Å; R139-Y483 HydrophobicContact CB-CE2 4.05Å; R139-Y483 HydrophobicContact CG-CE2 4.35Å; V143-Y483 HydrophobicContact CG2-CD1 4.28Å; V143-Y483 HydrophobicContact CG2-CD2 3.58Å; V143-Y483 HydrophobicContact CG2-CE1 4.19Å; V143-Y483 HydrophobicContact CG2-CE2 3.5Å; V143-Y483 VanDerWaalsContact CG2-CE2 3.5Å; V143-Y483 HydrophobicContact CG2-CG 3.99Å; M146-Y483 VanDerWaalsContact SD-CB 3.55Å; M146-Y483 HydrophobicContact SD-CG 4.15Å; K255-Y483 VanDerWaalsContact C-OH 3.25Å; K255-Y483 WeakPolarHBondContact CA-OH 3.46Å; K255-Y483 WeakPolarHBondContact CB-OH 3.49Å; K255-Y483 HydrophobicContact CD-CE1 4.31Å; K255-Y483 PolarHBondContact NZ-O 2.91Å; V256-Y483 PolarHBondContact N-OH 2.87Å; P257-Y483 PolarHBondContact O-OH 3.45Å; L259-Y483 HydrophobicContact CD1-CE1 4.46Å; L259-Y483 HydrophobicContact CG-CE1 4.48Å; Y483-E486 VanDerWaalsContact N-CD 3.26Å; Y483-E486 PolarHBondContact N-OE1 2.93Å; Y483-E486 PolarHBondContact N-OE2 3.41Å
484N94.7Very high97.2Very high58 Ų5834.5 Ų34.531%0.3120%0.202SC..SBendtrans-149.636-175.5-161.741.4000113.3Y441 E486Y441-N484 PolarHBondContact OH-OD1 3.41Å; N484-E486 PolarHBondContact N-OE2 3.08Å
485G96.4Very high97.2Very high27 Ų2740.8 Ų40.828%0.27823%0.229SC..SBendtrans98.3-3.1176.500000114.8T482T482-G485 VanDerWaalsContact OG1-C 3.24Å; T482-G485 WeakPolarHBondContact OG1-CA 3.35Å; T482-G485 PolarHBondContact OG1-N 3.23Å
486E95Very high97.1Very high53 Ų5340.8 Ų40.825%0.24823%0.229CC..THydrogen-bonded Turntrans-69158.2171.383.9-67.7172.500111.5R142 T482 Y483 N484 L488R142-E486 IonicContact CZ-OE1 2.66Å; R142-E486 IonicContact NE-OE1 3.01Å; R142-E486 PolarHBondContact NE-OE1 2.89Å; R142-E486 IonicContact NH2-OE1 2.93Å; R142-E486 PolarHBondContact NH2-OE1 3.19Å; T482-E486 WeakPolarHBondContact CA-OE1 3.38Å; T482-E486 WeakPolarHBondContact CB-O 3.46Å; T482-E486 PolarHBondContact OG1-N 3.41Å; T482-E486 VanDerWaalsContact OG1-N 3.09Å; T482-E486 PolarHBondContact OG1-O 2.89Å; T482-E486 PolarHBondContact OG1-OE2 3.22Å; Y483-E486 VanDerWaalsContact N-CD 3.26Å; Y483-E486 PolarHBondContact N-OE1 2.93Å; Y483-E486 PolarHBondContact N-OE2 3.41Å; N484-E486 PolarHBondContact N-OE2 3.08Å; E486-L488 VanDerWaalsContact C-N 3.27Å; E486-L488 PolarHBondContact O-N 2.95Å
487N95.5Very high96.8Very high78 Ų7844.8 Ų44.842%0.41725%0.248SC..THydrogen-bonded Turntrans62.625.2175.8-162.632.6000115.5I481I481-N487 WeakPolarHBondContact O-CB 3.44Å; I481-N487 PolarHBondContact O-ND2 3.03Å
488L98Very high96.5Very high3 Ų346 Ų462%0.01626%0.261CS..  trans-103.310.4178.9-62.7-176.1000114.6L445 A449 I477 I481 T482 E486 C490 L491 L502L445-L488 HydrophobicContact CB-CD1 3.76Å; A449-L488 HydrophobicContact CB-CB 3.52Å; A449-L488 WeakPolarHBondContact CB-O 3.39Å; I477-L488 HydrophobicContact CD1-CD1 3.9Å; I477-L488 HydrophobicContact CD1-CD2 4.2Å; I477-L488 HydrophobicContact CG2-CD2 3.98Å; I481-L488 HydrophobicContact CG2-CD2 4.06Å; T482-L488 HydrophobicContact CG2-CD1 4.27Å; T482-L488 HydrophobicContact CG2-CD2 4.06Å; T482-L488 HydrophobicContact CG2-CG 4.38Å; E486-L488 VanDerWaalsContact C-N 3.27Å; E486-L488 PolarHBondContact O-N 2.95Å; L488-C490 PolarHBondContact O-N 2.88Å; L488-L491 HydrophobicContact CB-CD1 4.46Å; L488-L491 HydrophobicContact CD2-CD1 4.39Å; L488-L491 WeakPolarHBondContact O-CB 3.33Å; L488-L491 PolarHBondContact O-N 3.43Å; L488-L502 HydrophobicContact CD2-CD2 3.98Å
489T96.3Very high96.3Very high118 Ų11846.3 Ų46.372%0.72426%0.262SS*.G310 helixtrans-60.6-19.7-17951.50000113.6L491 K492T489-L491 PolarHBondContact O-N 3.39Å; T489-K492 WeakPolarHBondContact O-CB 3.43Å; T489-K492 PolarHBondContact O-N 3.18Å
490C96.9Very high96.2Very high60 Ų6046.3 Ų46.341%0.40526%0.262SS..G310 helixtrans-62.2-19.9171.960.80000113.8L488 V494L488-C490 PolarHBondContact O-N 2.88Å; C490-V494 WeakPolarHBondContact O-CG2 3.42Å
491L98.1Very high96.2Very high2 Ų248.3 Ų48.31%0.0127%0.267CS..G310 helixtrans-87.9-7.6178.6-62.9178.9000113.2A446 A451 I475 I477 L488 T489 G493 V494 L502A446-L491 HydrophobicContact CB-CD1 3.62Å; A451-L491 VanDerWaalsContact CA-O 3.31Å; A451-L491 WeakPolarHBondContact CA-O 3.37Å; A451-L491 HydrophobicContact CB-CB 4.24Å; A451-L491 PolarHBondContact N-O 3.24Å; I475-L491 HydrophobicContact CD1-CD1 4.43Å; I475-L491 HydrophobicContact CD1-CD2 4.4Å; I477-L491 HydrophobicContact CD1-CD1 4.44Å; L488-L491 HydrophobicContact CB-CD1 4.46Å; L488-L491 HydrophobicContact CD2-CD1 4.39Å; L488-L491 WeakPolarHBondContact O-CB 3.33Å; L488-L491 PolarHBondContact O-N 3.43Å; T489-L491 PolarHBondContact O-N 3.39Å; L491-G493 PolarHBondContact O-N 3.27Å; L491-G493 VanDerWaalsContact O-N 3.14Å; L491-V494 WeakPolarHBondContact O-CB 3.4Å; L491-V494 PolarHBondContact O-N 2.87Å; L491-L502 HydrophobicContact CD1-CD2 4.2Å; L491-L502 HydrophobicContact CD2-CD1 4.15Å; L491-L502 HydrophobicContact CD2-CD2 4.29Å; L491-L502 HydrophobicContact CG-CD2 4.3Å
492K98.1Very high96.2Very high168 Ų16848.4 Ų48.473%0.7327%0.267SS*.THydrogen-bonded Turntrans-60.7118.7-177.7-173.9177.6-179.1177.80111.1T489 V494T489-K492 WeakPolarHBondContact O-CB 3.43Å; T489-K492 PolarHBondContact O-N 3.18Å; K492-V494 PolarHBondContact O-N 2.88Å
493G97.6Very high96.2Very high48 Ų4849.6 Ų49.650%0.49527%0.272SS..THydrogen-bonded Turntrans76.30.8-177.900000114.7G450 L491G450-G493 PolarHBondContact O-N 3.47Å; L491-G493 PolarHBondContact O-N 3.27Å; L491-G493 VanDerWaalsContact O-N 3.14Å
494V97.4Very high96.1Very high46 Ų4651.4 Ų51.428%0.27928%0.281SS..PPolyproline II helixtrans-75.6129.8176.9179.20000109.3I452 C490 L491 K492 I496 L513I452-V494 PolarHBondContact N-O 3.31Å; C490-V494 WeakPolarHBondContact O-CG2 3.42Å; L491-V494 WeakPolarHBondContact O-CB 3.4Å; L491-V494 PolarHBondContact O-N 2.87Å; K492-V494 PolarHBondContact O-N 2.88Å; V494-I496 HydrophobicContact CG1-CD1 4.05Å; V494-L513 HydrophobicContact CG1-CD2 3.73Å
495K96.2Very high96.1Very high135 Ų13550.7 Ų50.759%0.58728%0.278SS*.EExtended strand (participates in β ladder)trans-82125174.9-67.4-178.1179.9-177.30110.2I452 V454I452-K495 HydrophobicContact CB-CG 4.27Å; I452-K495 HydrophobicContact CG2-CG 4.45Å; I452-K495 CarbonylContact O-C 3.59Å; I452-K495 WeakPolarHBondContact O-CA 3.49Å; V454-K495 HydrophobicContact CG2-CB 3.93Å; V454-K495 HydrophobicContact CG2-CD 4.21Å; V454-K495 HydrophobicContact CG2-CG 4.1Å
496I94.6Very high95.7Very high0 Ų059.5 Ų59.50%031%0.308CS..EExtended strand (participates in β ladder)trans-103.7120.5175.6-54.6-58.6000107.8A451 I452 L453 V454 P473 I475 V494 N500 L513A451-I496 HydrophobicContact CB-CG1 4.13Å; I452-I496 PolarHBondContact O-N 3.08Å; L453-I496 HydrophobicContact CD2-CB 4.19Å; V454-I496 PolarHBondContact N-O 3.19Å; P473-I496 HydrophobicContact CB-CB 4.35Å; P473-I496 HydrophobicContact CB-CG2 3.98Å; P473-I496 WeakPolarHBondContact CB-O 3.3Å; I475-I496 HydrophobicContact CD1-CD1 4.22Å; V494-I496 HydrophobicContact CG1-CD1 4.05Å; I496-N500 WeakPolarHBondContact CG2-ND2 3.24Å; I496-L513 HydrophobicContact CD1-CD1 4.35Å; I496-L513 HydrophobicContact CD1-CD2 3.8Å
497H91.4Very high95.5Very high84 Ų8465.9 Ų65.939%0.38934%0.338SS..EExtended strand (participates in β ladder)trans-118.5137.8177.1-64-98000109.4V454 D456 L499 N500V454-H497 VanDerWaalsContact CG1-CE1 3.46Å; V454-H497 WeakPolarHBondContact CG1-CE1 3.3Å; D456-H497 IonicContact OD1-ND1 3.3Å; H497-L499 PolarHBondContact O-N 3.27Å; H497-N500 PolarHBondContact O-ND2 3.43Å
498G92.1Very high95.4Very high26 Ų2666.1 Ų66.127%0.26834%0.342SS..SBendtrans50.3-138.8178.500000112.7P473 L474P473-G498 CarbonylContact C-O 3.53Å; P473-G498 VanDerWaalsContact CA-O 3.3Å; P473-G498 WeakPolarHBondContact CA-O 3.45Å; L474-G498 PolarHBondContact N-O 2.97Å; L474-G498 VanDerWaalsContact O-O 3.14Å
499L94Very high95Very high5 Ų567.6 Ų67.63%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-97.1129.2-178-173.260.3000112P127 L439 L474 H497 C516 I518P127-L499 HydrophobicContact CG-CD1 3.82Å; P127-L499 HydrophobicContact CG-CD2 4.01Å; P127-L499 HydrophobicContact CG-CG 3.97Å; L439-L499 HydrophobicContact CD1-CD1 4.02Å; L439-L499 HydrophobicContact CD2-CD1 4.27Å; L474-L499 HydrophobicContact CB-CD1 3.9Å; L474-L499 CarbonylContact O-C 3.53Å; L474-L499 WeakPolarHBondContact O-CA 3.44Å; H497-L499 PolarHBondContact O-N 3.27Å; L499-C516 HydrophobicContact CB-CB 4.41Å; L499-C516 HydrophobicContact CD2-CB 4.33Å; L499-C516 HydrophobicContact CG-CB 4.07Å; L499-C516 PolarHBondContact O-N 3.29Å; L499-I518 HydrophobicContact CB-CG1 4.1Å; L499-I518 HydrophobicContact CD2-CG1 4.29Å
500N96.2Very high94.9Very high5 Ų568.7 Ų68.73%0.02735%0.353CS..EExtended strand (participates in β ladder)trans-130.3166.6177.4-63.4-97.4000111.5L474 I475 E476 I496 H497 L513 F514 S515L474-N500 PolarHBondContact O-N 3.4Å; I475-N500 CarbonylContact C-O 3.57Å; I475-N500 VanDerWaalsContact CA-O 3.31Å; I475-N500 WeakPolarHBondContact CA-O 3.48Å; I475-N500 HydrophobicContact CB-CB 4.4Å; I475-N500 HydrophobicContact CG1-CB 4.15Å; E476-N500 PolarHBondContact N-O 3.18Å; I496-N500 WeakPolarHBondContact CG2-ND2 3.24Å; H497-N500 PolarHBondContact O-ND2 3.43Å; N500-L513 HydrophobicContact CB-CD1 3.96Å; N500-F514 CarbonylContact C-O 3.51Å; N500-F514 WeakPolarHBondContact CA-O 3.26Å; N500-F514 WeakPolarHBondContact CB-O 3.17Å; N500-S515 WeakPolarHBondContact OD1-CA 3.41Å; N500-S515 PolarHBondContact OD1-OG 2.74Å
501R97.1Very high94.9Very high78 Ų7867.7 Ų67.729%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-137.7139.2164.268.7-174.2-177.7-168.62.4111.8P127 E476 E503 F514P127-R501 HydrophobicContact CB-CB 4.1Å; P127-R501 PolarHBondContact O-NH1 3.13Å; E476-R501 HydrophobicContact CB-CB 4.11Å; E476-R501 CarbonylContact O-C 3.47Å; E476-R501 WeakPolarHBondContact O-CA 3.37Å; R501-E503 HydrophobicContact CG-CG 4.17Å; R501-F514 HydrophobicContact CG-CB 3.96Å; R501-F514 HydrophobicContact CG-CD2 4.33Å; R501-F514 PolarHBondContact N-O 3.26Å; R501-F514 PolarHBondContact O-N 3.2Å
502L98.3Very high94.8Very high4 Ų470.5 Ų70.52%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-103.6113.4173.1-169.774.5000108.8I475 E476 I477 S478 I481 L488 L491 P511 I512 L513I475-L502 HydrophobicContact CD1-CB 4.16Å; E476-L502 PolarHBondContact O-N 3.29Å; I477-L502 HydrophobicContact CG1-CB 4.33Å; I477-L502 HydrophobicContact CG2-CB 4.42Å; I477-L502 HydrophobicContact CG2-CD2 4.14Å; S478-L502 WeakPolarHBondContact CB-O 3.41Å; S478-L502 PolarHBondContact N-O 3.05Å; I481-L502 HydrophobicContact CD1-CB 4.29Å; I481-L502 HydrophobicContact CD1-CD2 3.8Å; I481-L502 HydrophobicContact CD1-CG 3.59Å; I481-L502 WeakPolarHBondContact CD1-O 3.1Å; I481-L502 HydrophobicContact CG2-CD2 4.35Å; L488-L502 HydrophobicContact CD2-CD2 3.98Å; L491-L502 HydrophobicContact CD1-CD2 4.2Å; L491-L502 HydrophobicContact CD2-CD1 4.15Å; L491-L502 HydrophobicContact CD2-CD2 4.29Å; L491-L502 HydrophobicContact CG-CD2 4.3Å; L502-P511 HydrophobicContact CD1-CB 3.92Å; L502-P511 HydrophobicContact CD2-CB 4.17Å; L502-P511 HydrophobicContact CG-CB 4.11Å; L502-I512 WeakPolarHBondContact CA-O 3.35Å; L502-L513 HydrophobicContact CB-CD1 4.33Å; L502-L513 HydrophobicContact CD1-CB 3.96Å; L502-L513 HydrophobicContact CD1-CD1 4.16Å
503E98Very high94.8Very high32 Ų3265.3 Ų65.315%0.1534%0.34CS..EExtended strand (participates in β ladder)trans-114.5153-177.4-65.7-65.1161.700111.5S128 R130 R501 P511 I512 F514S128-E503 WeakPolarHBondContact CB-OE1 3.44Å; R130-E503 IonicContact CZ-OE1 3.71Å; R130-E503 IonicContact CZ-OE2 2.69Å; R130-E503 IonicContact NH1-OE1 3.52Å; R130-E503 PolarHBondContact NH1-OE1 3.33Å; R130-E503 IonicContact NH1-OE2 2.64Å; R130-E503 IonicContact NH2-OE1 2.92Å; R130-E503 PolarHBondContact NH2-OE1 3.23Å; R130-E503 IonicContact NH2-OE2 3.61Å; R130-E503 PolarHBondContact NH2-OE2 3.31Å; R501-E503 HydrophobicContact CG-CG 4.17Å; E503-P511 CarbonylContact O-C 3.56Å; E503-P511 WeakPolarHBondContact O-CA 3.43Å; E503-I512 PolarHBondContact N-O 3.38Å; E503-I512 PolarHBondContact O-N 3.13Å; E503-F514 HydrophobicContact CB-CD2 4.31Å; E503-F514 HydrophobicContact CB-CE2 3.91Å; E503-F514 HydrophobicContact CG-CD2 4.26Å; E503-F514 HydrophobicContact CG-CE2 4.26Å
504Q96.4Very high94.7Very high49 Ų4967 Ų6723%0.22933%0.334CS..EExtended strand (participates in β ladder)trans-83.5122.9171.6-176.7168.660.600109L480 I481 K506 G509L480-Q504 HydrophobicContact CB-CB 4.27Å; I481-Q504 HydrophobicContact CG1-CB 4Å; Q504-K506 PolarHBondContact O-N 3.22Å; Q504-G509 WeakPolarHBondContact CG-O 3.46Å; Q504-G509 PolarHBondContact NE2-O 3.17Å
505D94.9Very high94.5Very high44 Ų4469.8 Ų69.824%0.23536%0.355CS..  trans-61.8129.2172.2-175.2-110.5000110.8E507 T508 G509 K510 I512D505-E507 VanDerWaalsContact C-N 3.3Å; D505-E507 PolarHBondContact O-N 3.06Å; D505-E507 PolarHBondContact OD1-N 2.88Å; D505-T508 VanDerWaalsContact CB-OG1 3.3Å; D505-T508 WeakPolarHBondContact CB-OG1 3.42Å; D505-T508 VanDerWaalsContact CG-OG1 3.31Å; D505-T508 VanDerWaalsContact OD1-CB 3.29Å; D505-T508 WeakPolarHBondContact OD1-CB 3.29Å; D505-T508 WeakPolarHBondContact OD1-CG2 3.22Å; D505-T508 PolarHBondContact OD1-N 3.26Å; D505-T508 PolarHBondContact OD1-OG1 3.46Å; D505-G509 WeakPolarHBondContact O-CA 3.33Å; D505-G509 PolarHBondContact O-N 3Å; D505-K510 VanDerWaalsContact CB-O 3.32Å; D505-K510 WeakPolarHBondContact CB-O 3.27Å; D505-K510 PolarHBondContact N-O 3.07Å; D505-I512 HydrophobicContact CB-CD1 3.54Å; D505-I512 HydrophobicContact CB-CG1 4Å; D505-I512 WeakPolarHBondContact OD2-CD1 3.35Å
506K88.9Confident94.3Very high211 Ų21164.7 Ų64.792%0.91734%0.337SS*.THydrogen-bonded Turntrans-69.5-28.2-173.6-68.3-175.8179-179.40113.2Q504Q504-K506 PolarHBondContact O-N 3.22Å
507E90.3Very high93.6Very high187 Ų18773.4 Ų73.487%0.87438%0.377SS*.THydrogen-bonded Turntrans-89.8-44.7-176-62.7-175.517700111.5D505D505-E507 VanDerWaalsContact C-N 3.3Å; D505-E507 PolarHBondContact O-N 3.06Å; D505-E507 PolarHBondContact OD1-N 2.88Å
508T92.8Very high92.6Very high84 Ų8472 Ų7252%0.51537%0.372SS..THydrogen-bonded Turntrans-98-16.9-173.566.90000113.6D505 K510D505-T508 VanDerWaalsContact CB-OG1 3.3Å; D505-T508 WeakPolarHBondContact CB-OG1 3.42Å; D505-T508 VanDerWaalsContact CG-OG1 3.31Å; D505-T508 VanDerWaalsContact OD1-CB 3.29Å; D505-T508 WeakPolarHBondContact OD1-CB 3.29Å; D505-T508 WeakPolarHBondContact OD1-CG2 3.22Å; D505-T508 PolarHBondContact OD1-N 3.26Å; D505-T508 PolarHBondContact OD1-OG1 3.46Å; T508-K510 PolarHBondContact O-N 3.15Å; T508-K510 PolarHBondContact OG1-N 3.39Å
509G90.4Very high91.3Very high34 Ų3475.2 Ų75.235%0.35138%0.383SS..  trans69.65.5-173.600000114.3Q504 D505Q504-G509 WeakPolarHBondContact CG-O 3.46Å; Q504-G509 PolarHBondContact NE2-O 3.17Å; D505-G509 WeakPolarHBondContact O-CA 3.33Å; D505-G509 PolarHBondContact O-N 3Å
510K93.2Very high89.6Confident140 Ų14079.5 Ų79.561%0.60941%0.406SS*.  trans-85.8148.3-176.5-66.9-178.8179.91770111.8D505 T508 I512D505-K510 VanDerWaalsContact CB-O 3.32Å; D505-K510 WeakPolarHBondContact CB-O 3.27Å; D505-K510 PolarHBondContact N-O 3.07Å; T508-K510 PolarHBondContact O-N 3.15Å; T508-K510 PolarHBondContact OG1-N 3.39Å; K510-I512 PolarHBondContact O-N 3.07Å
511P96.8Very high87.5Confident39 Ų3983.3 Ų83.325%0.25343%0.433SS..EExtended strand (participates in β ladder)trans-62.4132.2170-24.435.9000112.3I481 L502 E503I481-P511 HydrophobicContact CD1-CB 4.05Å; I481-P511 HydrophobicContact CD1-CG 4.38Å; I481-P511 HydrophobicContact CG2-CG 3.96Å; L502-P511 HydrophobicContact CD1-CB 3.92Å; L502-P511 HydrophobicContact CD2-CB 4.17Å; L502-P511 HydrophobicContact CG-CB 4.11Å; E503-P511 CarbonylContact O-C 3.56Å; E503-P511 WeakPolarHBondContact O-CA 3.43Å
512I96.8Very high85.1Confident62 Ų6286 Ų8632%0.31845%0.452SS..EExtended strand (participates in β ladder)trans-124.8128.4171-58.1179.9000108.7L502 E503 D505 K510 F514L502-I512 WeakPolarHBondContact CA-O 3.35Å; E503-I512 PolarHBondContact N-O 3.38Å; E503-I512 PolarHBondContact O-N 3.13Å; D505-I512 HydrophobicContact CB-CD1 3.54Å; D505-I512 HydrophobicContact CB-CG1 4Å; D505-I512 WeakPolarHBondContact OD2-CD1 3.35Å; K510-I512 PolarHBondContact O-N 3.07Å; I512-F514 HydrophobicContact CB-CE2 3.73Å; I512-F514 HydrophobicContact CB-CZ 3.99Å; I512-F514 HydrophobicContact CG2-CD2 4.2Å; I512-F514 HydrophobicContact CG2-CE1 4.08Å; I512-F514 HydrophobicContact CG2-CE2 3.5Å; I512-F514 VanDerWaalsContact CG2-CE2 3.5Å; I512-F514 HydrophobicContact CG2-CZ 3.44Å; I512-F514 VanDerWaalsContact CG2-CZ 3.44Å; I512-F514 WeakPolarHBondContact O-CD2 3.46Å; I512-F514 WeakPolarHBondContact O-CE2 3.44Å
513L97.3Very high84.4Confident58 Ų5890.1 Ų90.130%0.30447%0.473SS..EExtended strand (participates in β ladder)trans-92132.6177.3-174.269.5000110.3I475 V494 I496 N500 L502I475-L513 HydrophobicContact CD1-CD1 3.53Å; I475-L513 HydrophobicContact CG1-CD1 4.35Å; V494-L513 HydrophobicContact CG1-CD2 3.73Å; I496-L513 HydrophobicContact CD1-CD1 4.35Å; I496-L513 HydrophobicContact CD1-CD2 3.8Å; N500-L513 HydrophobicContact CB-CD1 3.96Å; L502-L513 HydrophobicContact CB-CD1 4.33Å; L502-L513 HydrophobicContact CD1-CB 3.96Å; L502-L513 HydrophobicContact CD1-CD1 4.16Å
514F96Very high83.7Confident84 Ų8493.1 Ų93.137%0.36849%0.49SS..EExtended strand (participates in β ladder)trans-122.4132.9176-58.8-92.5000109.7N500 R501 E503 I512N500-F514 CarbonylContact C-O 3.51Å; N500-F514 WeakPolarHBondContact CA-O 3.26Å; N500-F514 WeakPolarHBondContact CB-O 3.17Å; R501-F514 HydrophobicContact CG-CB 3.96Å; R501-F514 HydrophobicContact CG-CD2 4.33Å; R501-F514 PolarHBondContact N-O 3.26Å; R501-F514 PolarHBondContact O-N 3.2Å; E503-F514 HydrophobicContact CB-CD2 4.31Å; E503-F514 HydrophobicContact CB-CE2 3.91Å; E503-F514 HydrophobicContact CG-CD2 4.26Å; E503-F514 HydrophobicContact CG-CE2 4.26Å; I512-F514 HydrophobicContact CB-CE2 3.73Å; I512-F514 HydrophobicContact CB-CZ 3.99Å; I512-F514 HydrophobicContact CG2-CD2 4.2Å; I512-F514 HydrophobicContact CG2-CE1 4.08Å; I512-F514 HydrophobicContact CG2-CE2 3.5Å; I512-F514 VanDerWaalsContact CG2-CE2 3.5Å; I512-F514 HydrophobicContact CG2-CZ 3.44Å; I512-F514 VanDerWaalsContact CG2-CZ 3.44Å; I512-F514 WeakPolarHBondContact O-CD2 3.46Å; I512-F514 WeakPolarHBondContact O-CE2 3.44Å
515S93.3Very high83Confident104 Ų10495.6 Ų95.673%0.72751%0.505SS*.EExtended strand (participates in β ladder)trans-74.3143.7162.5-560000109.7N500N500-S515 WeakPolarHBondContact OD1-CA 3.41Å; N500-S515 PolarHBondContact OD1-OG 2.74Å
516C90.7Very high82.3Confident29 Ų2998.6 Ų98.620%0.19652%0.521CS..EExtended strand (participates in β ladder)trans-124.8143.3-175.1-64.80000110.3P127 L499P127-C516 HydrophobicContact CB-CB 4.41Å; L499-C516 HydrophobicContact CB-CB 4.41Å; L499-C516 HydrophobicContact CD2-CB 4.33Å; L499-C516 HydrophobicContact CG-CB 4.07Å; L499-C516 PolarHBondContact O-N 3.29Å
517E81.8Confident81.9Confident183 Ų18391.6 Ų91.686%0.85550%0.496SS*.  trans-73.7143.3168.4-65.7-178.4176.500110.1N519E517-N519 PolarHBondContact O-N 3.15Å
518I69.3Low81.3Confident54 Ų5485.2 Ų85.228%0.27747%0.471SS..  trans-80.9104.5174.9-55.3172.2000107.6V469 H470 L499V469-I518 HydrophobicContact CG1-CG2 4.09Å; H470-I518 WeakPolarHBondContact CE1-CG2 3.04Å; H470-I518 VanDerWaalsContact ND1-CD1 3.3Å; H470-I518 WeakPolarHBondContact ND1-CD1 3.32Å; L499-I518 HydrophobicContact CB-CG1 4.1Å; L499-I518 HydrophobicContact CD2-CG1 4.29Å
519N64.5Low80.5Confident94 Ų9485.3 Ų85.350%0.50347%0.468SS..  trans-102.5108.5173.5-163.4-2000110.3N125 E517 S521N125-N519 PolarHBondContact ND2-O 2.66Å; E517-N519 PolarHBondContact O-N 3.15Å; N519-S521 PolarHBondContact OD1-N 2.72Å; N519-S521 PolarHBondContact OD1-OG 2.96Å
520D59.1Low79.7Confident94 Ų9489.2 Ų89.250%0.50348%0.477SS..  trans-91.48.1-177.7-75.2-22.2000113.8H470 I522H470-D520 IonicContact CD2-OD2 3.42Å; H470-D520 IonicContact CE1-OD2 3.85Å; H470-D520 PolarHBondContact CE1-OD2 3.35Å; H470-D520 IonicContact NE2-OD1 2.94Å; H470-D520 IonicContact NE2-OD2 2.93Å; H470-D520 PolarHBondContact NE2-OD2 3.02Å; D520-I522 PolarHBondContact O-N 3.33Å
521S51Low78.6Confident86 Ų8685 Ų8560%0.60147%0.466SS*.  trans-67.89317564.80000111.1N519N519-S521 PolarHBondContact OD1-N 2.72Å; N519-S521 PolarHBondContact OD1-OG 2.96Å
522I46.8Very low76.9Confident133 Ų13389.2 Ų89.268%0.68249%0.485SS*.  trans-130.90155.1-55.3-178.9000108.5N125 P424 D520N125-I522 HydrophobicContact CB-CD1 3.54Å; N125-I522 HydrophobicContact CB-CG1 3.96Å; P424-I522 HydrophobicContact CB-CG2 4.22Å; P424-I522 HydrophobicContact CG-CG2 4.14Å; D520-I522 PolarHBondContact O-N 3.33Å

Retrieved 522 of 522 residues in 251.1 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).