A0A087XFG4_POEFO Loading...

Protein transport protein Sec31A

Component of the coat protein complex II (COPII) which promotes the formation of transport vesicles from the endoplasmic reticulum (ER). The coat has two main functions, the physical deformation of the endoplasmic reticulum membrane into vesicles and the selection of cargo molecules.

AlphaFold DB , UniProt , Accession A0A087XFG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,221 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
1M69.8Low85.2Confident17 Ų1737.2 Ų37.28%0.08417%0.169CC..  0-56.10177.3175.9167.700109.5Y296 L298 P299 Y330 S331 V379M1-Y296 HydrophobicContact CE-CE1 4.14Å; M1-Y296 WeakPolarHBondContact CE-OH 3.22Å; M1-L298 HydrophobicContact CE-CD1 3.38Å; M1-L298 HydrophobicContact CE-CG 4.06Å; M1-P299 VanDerWaalsContact CE-CD 3.48Å; M1-P299 HydrophobicContact CE-CG 4.09Å; M1-P299 HydrophobicContact SD-CG 3.82Å; M1-Y330 HydrophobicContact CE-CD1 4.34Å; M1-Y330 HydrophobicContact CG-CD1 4.5Å; M1-Y330 WeakPolarHBondContact O-CA 3.41Å; M1-S331 PolarHBondContact O-N 3.36Å; M1-V379 HydrophobicContact CE-CG1 4.45Å; M1-V379 HydrophobicContact SD-CB 4.45Å; M1-V379 HydrophobicContact SD-CG1 4.46Å; M1-V379 HydrophobicContact SD-CG2 3.98Å
2R77.9Confident85.8Confident33 Ų3334.3 Ų34.313%0.12516%0.156CC..EExtended strand (participates in β ladder)trans-48.6146.5143.4-58.4-175.6179.7-169.87.8109.3E5 T301 T328 V329 Y330R2-E5 IonicContact CZ-OE2 2.64Å; R2-E5 IonicContact NH1-OE2 2.69Å; R2-E5 PolarHBondContact NH1-OE2 3.13Å; R2-T301 VanDerWaalsContact NH2-CG2 3.32Å; R2-T328 HydrophobicContact CB-CG2 3.98Å; R2-T328 HydrophobicContact CG-CG2 3.52Å; R2-V329 CarbonylContact C-O 3.53Å; R2-V329 WeakPolarHBondContact CA-O 3.3Å; R2-Y330 HydrophobicContact CG-CD1 3.87Å; R2-Y330 HydrophobicContact CG-CE1 3.57Å; R2-Y330 PolarHBondContact NE-OH 3.13Å
3L81.9Confident86.5Confident60 Ų6031.9 Ų31.931%0.31415%0.146SC..EExtended strand (participates in β ladder)trans-119.5-46.6178.1-66.3173000110.5M48 F50 L317 V329L3-M48 HydrophobicContact CB-CE 4.28Å; L3-M48 HydrophobicContact CD1-CE 4.19Å; L3-F50 HydrophobicContact CD1-CE1 4.43Å; L3-L317 HydrophobicContact CD1-CD2 3.38Å; L3-V329 PolarHBondContact N-O 3.41Å
4K88.1Confident87Confident8 Ų830.3 Ų30.34%0.03514%0.138CC..EExtended strand (participates in β ladder)trans-145.1156.2-179.7-70.7-62.6-169.8178.30110.3M48 D49 D52 S54 L55 E56 M57 V329K4-M48 HydrophobicContact CG-CE 4.36Å; K4-D49 VanDerWaalsContact CE-O 3.24Å; K4-D49 WeakPolarHBondContact CE-O 3.26Å; K4-D52 PolarHBondContact NZ-O 3.37Å; K4-D52 VanDerWaalsContact NZ-O 3.15Å; K4-D52 IonicContact NZ-OD2 3.36Å; K4-D52 PolarHBondContact NZ-OD2 3.35Å; K4-S54 WeakPolarHBondContact CD-O 3.33Å; K4-S54 WeakPolarHBondContact CE-O 3.25Å; K4-S54 PolarHBondContact NZ-O 3.37Å; K4-S54 PolarHBondContact NZ-OG 3.32Å; K4-L55 CarbonylContact C-O 3.34Å; K4-L55 VanDerWaalsContact CA-O 3.24Å; K4-L55 WeakPolarHBondContact CA-O 3.29Å; K4-E56 VanDerWaalsContact CD-O 3.31Å; K4-E56 WeakPolarHBondContact CD-O 3.41Å; K4-E56 WeakPolarHBondContact CE-O 3.26Å; K4-E56 PolarHBondContact NZ-O 3.22Å; K4-M57 HydrophobicContact CB-CG 3.52Å; K4-M57 HydrophobicContact CB-SD 3.81Å; K4-M57 HydrophobicContact CD-CG 4.11Å; K4-M57 HydrophobicContact CG-CG 3.87Å; K4-M57 HydrophobicContact CG-SD 4.45Å; K4-V329 HydrophobicContact CB-CB 4.44Å; K4-V329 HydrophobicContact CB-CG2 4.49Å; K4-V329 PolarHBondContact O-N 3.02Å
5E88.6Confident87.3Confident24 Ų2428.3 Ų28.311%0.11213%0.129CC..EExtended strand (participates in β ladder)trans-146140.7-177-166.1165.312800110.1R2 L55 R326 I327 T328R2-E5 IonicContact CZ-OE2 2.64Å; R2-E5 IonicContact NH1-OE2 2.69Å; R2-E5 PolarHBondContact NH1-OE2 3.13Å; E5-L55 PolarHBondContact N-O 3.42Å; E5-R326 HydrophobicContact CG-CB 4.49Å; E5-R326 WeakPolarHBondContact OE1-CD 3.43Å; E5-R326 IonicContact OE1-CZ 3.41Å; E5-R326 IonicContact OE1-NE 2.7Å; E5-R326 IonicContact OE1-NH1 3.85Å; E5-R326 PolarHBondContact OE1-NH1 2.58Å; E5-I327 CarbonylContact C-O 3.58Å; E5-I327 WeakPolarHBondContact CA-O 3.32Å; E5-T328 PolarHBondContact OE2-OG1 2.83Å
6I89.8Confident87.4Confident8 Ų827.2 Ų27.24%0.04113%0.125CC..EExtended strand (participates in β ladder)trans-127.1136.2176.6-62164.4000108.6R8 L24 L26 F46 M57 R326 I327I6-R8 HydrophobicContact CG2-CB 4.23Å; I6-R8 HydrophobicContact CG2-CG 3.8Å; I6-R8 PolarHBondContact O-N 3.48Å; I6-L24 HydrophobicContact CD1-CD2 4.17Å; I6-L26 HydrophobicContact CB-CD1 4.28Å; I6-L26 HydrophobicContact CD1-CD1 3.87Å; I6-L26 HydrophobicContact CG2-CD1 3.69Å; I6-F46 HydrophobicContact CD1-CB 3.82Å; I6-F46 HydrophobicContact CD1-CD1 3.84Å; I6-F46 HydrophobicContact CD1-CD2 3.74Å; I6-F46 HydrophobicContact CD1-CE1 4.31Å; I6-F46 HydrophobicContact CD1-CE2 4.22Å; I6-F46 HydrophobicContact CD1-CG 3.53Å; I6-F46 HydrophobicContact CD1-CZ 4.49Å; I6-F46 HydrophobicContact CG1-CD1 4.1Å; I6-F46 HydrophobicContact CG1-CE1 4.28Å; I6-F46 HydrophobicContact CG1-CG 4.3Å; I6-F46 HydrophobicContact CG2-CE1 3.97Å; I6-F46 HydrophobicContact CG2-CE2 4.06Å; I6-F46 HydrophobicContact CG2-CZ 3.69Å; I6-M57 HydrophobicContact CD1-CB 4.06Å; I6-M57 HydrophobicContact CD1-CE 4.44Å; I6-M57 HydrophobicContact CD1-CG 4.16Å; I6-M57 HydrophobicContact CD1-SD 3.57Å; I6-M57 VanDerWaalsContact CD1-SD 3.57Å; I6-M57 HydrophobicContact CG1-CB 3.87Å; I6-M57 HydrophobicContact CG1-CG 3.97Å; I6-M57 HydrophobicContact CG1-SD 3.93Å; I6-R326 CarbonylContact O-C 3.55Å; I6-R326 WeakPolarHBondContact O-CA 3.17Å; I6-I327 PolarHBondContact N-O 3.47Å; I6-I327 PolarHBondContact O-N 2.82Å
7Q87.7Confident87.2Confident109 Ų10928.5 Ų28.551%0.50914%0.142SC..EExtended strand (participates in β ladder)trans-94.884.1178.1-61-177.957.600110.4G325Q7-G325 CarbonylContact C-O 3.39Å; Q7-G325 VanDerWaalsContact C-O 3.3Å; Q7-G325 WeakPolarHBondContact CA-O 3.31Å
8R85.2Confident86.6Confident105 Ų10530.1 Ų30.140%0.39617%0.167SC..  trans-150.9137.2176.4-67.2-60.6-175.1-94.4-1.2112.2I6 A10 L26 E44 G325I6-R8 HydrophobicContact CG2-CB 4.23Å; I6-R8 HydrophobicContact CG2-CG 3.8Å; I6-R8 PolarHBondContact O-N 3.48Å; R8-A10 HydrophobicContact CB-CB 4.27Å; R8-A10 PolarHBondContact O-N 2.97Å; R8-L26 HydrophobicContact CB-CD1 4.13Å; R8-L26 HydrophobicContact CG-CD1 4.25Å; R8-E44 WeakPolarHBondContact CD-OE2 3.36Å; R8-E44 WeakPolarHBondContact CG-OE2 3.35Å; R8-E44 IonicContact CZ-OE1 2.76Å; R8-E44 IonicContact CZ-OE2 3.64Å; R8-E44 IonicContact NE-OE1 2.74Å; R8-E44 PolarHBondContact NE-OE1 3.31Å; R8-E44 IonicContact NE-OE2 3.44Å; R8-E44 PolarHBondContact NE-OE2 3.1Å; R8-E44 IonicContact NH2-OE1 3.24Å; R8-E44 PolarHBondContact NH2-OE1 3.11Å; R8-E44 IonicContact NH2-OE2 2.7Å; R8-G325 CarbonylContact C-O 3.55Å; R8-G325 PolarHBondContact N-O 2.82Å; R8-G325 CarbonylContact O-C 3.57Å
9T87.5Confident86.3Confident15 Ų1529.8 Ų29.89%0.09216%0.164CC..  trans-81.994.8159.755.40000109.6S29 D34T9-S29 PolarHBondContact O-N 3.28Å; T9-S29 PolarHBondContact O-OG 2.89Å; T9-D34 HydrophobicContact CG2-CB 3.89Å
10A89.5Confident86Confident3 Ų335.6 Ų35.63%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-144.4152.5-175.500000112.5R8 L26 G27 F306 I327R8-A10 HydrophobicContact CB-CB 4.27Å; R8-A10 PolarHBondContact O-N 2.97Å; A10-L26 HydrophobicContact CB-CB 3.81Å; A10-L26 HydrophobicContact CB-CD1 4.48Å; A10-L26 HydrophobicContact CB-CD2 4.5Å; A10-L26 HydrophobicContact CB-CG 4.49Å; A10-G27 CarbonylContact C-O 3.58Å; A10-G27 VanDerWaalsContact CA-O 3.28Å; A10-G27 WeakPolarHBondContact CA-O 3.39Å; A10-G27 VanDerWaalsContact CB-O 3.31Å; A10-G27 WeakPolarHBondContact CB-O 3.48Å; A10-F306 WeakPolarHBondContact O-CZ 3.46Å; A10-I327 HydrophobicContact CB-CD1 4.03Å; A10-I327 WeakPolarHBondContact O-CD1 3.28Å
11H91.1Very high85.9Confident27 Ų2735.5 Ų35.513%0.12519%0.191CC..EExtended strand (participates in β ladder)trans-76.9141.4159.6-68.5118.1000108.8L26 G27 L69 H70 I72 F306H11-L26 WeakPolarHBondContact O-CA 3.49Å; H11-G27 PolarHBondContact N-O 3.34Å; H11-G27 PolarHBondContact O-N 3.47Å; H11-L69 PolarHBondContact ND1-O 2.67Å; H11-H70 PolarHBondContact CE1-O 3.15Å; H11-H70 PolarHBondContact ND1-O 2.93Å; H11-I72 HydrophobicContact CB-CG2 3.81Å; H11-F306 AromaticContact CD2-CE2 3.88Å
12Q93.3Very high86.8Confident2 Ų235.3 Ų35.31%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-111.5147.9-171.750.6171.13.400111.2L24 A25 L26 D307 Q309 S319Q12-L24 HydrophobicContact CB-CD1 4.33Å; Q12-A25 CarbonylContact C-O 3.37Å; Q12-A25 WeakPolarHBondContact CA-O 3.28Å; Q12-L26 HydrophobicContact CB-CD2 3.69Å; Q12-D307 WeakPolarHBondContact CG-OD2 3.41Å; Q12-D307 PolarHBondContact NE2-OD2 3.34Å; Q12-Q309 PolarHBondContact O-NE2 2.77Å; Q12-S319 PolarHBondContact NE2-O 2.9Å; Q12-S319 PolarHBondContact OE1-OG 3.47Å
13A94.3Very high87.5Confident4 Ų435.2 Ų35.23%0.03319%0.19CC..EExtended strand (participates in β ladder)trans-142123.7168.500000110.4A25 I72 W74 L88A13-A25 PolarHBondContact N-O 3.06Å; A13-A25 PolarHBondContact O-N 3.49Å; A13-I72 HydrophobicContact CB-CG1 4.49Å; A13-I72 HydrophobicContact CB-CG2 4.15Å; A13-W74 HydrophobicContact CB-CB 4.25Å; A13-L88 HydrophobicContact CB-CD1 4.23Å
14W93.6Very high88Confident9 Ų932.3 Ų32.33%0.03418%0.175CC..EExtended strand (participates in β ladder)trans-72.9144.1173.9-75102.6000112.4I22 L24 M48 W74 C311 P312 S319 V329W14-I22 HydrophobicContact CE3-CG2 3.79Å; W14-I22 HydrophobicContact CZ3-CG2 3.59Å; W14-L24 HydrophobicContact CD2-CD1 3.68Å; W14-L24 HydrophobicContact CE3-CD1 3.89Å; W14-L24 HydrophobicContact CG-CD1 4.02Å; W14-L24 HydrophobicContact CZ2-CD1 4.39Å; W14-L24 HydrophobicContact CZ3-CD1 4.32Å; W14-M48 HydrophobicContact CH2-SD 3.95Å; W14-M48 HydrophobicContact CZ3-SD 4.05Å; W14-W74 WeakPolarHBondContact O-CB 3.16Å; W14-C311 HydrophobicContact CD2-CB 3.93Å; W14-C311 HydrophobicContact CE3-CB 4.16Å; W14-C311 HydrophobicContact CG-CB 4.48Å; W14-C311 HydrophobicContact CH2-CB 4.2Å; W14-C311 HydrophobicContact CZ2-CB 3.96Å; W14-C311 HydrophobicContact CZ3-CB 4.3Å; W14-P312 HydrophobicContact CB-CG 4.08Å; W14-S319 PolarHBondContact NE1-OG 3.37Å; W14-V329 HydrophobicContact CH2-CG1 3.86Å; W14-V329 HydrophobicContact CH2-CG2 4.14Å; W14-V329 HydrophobicContact CZ2-CG1 4.16Å; W14-V329 HydrophobicContact CZ2-CG2 4.47Å
15S91.8Very high88.3Confident0 Ų032 Ų320%017%0.173CC..PPolyproline II helixtrans-57.1144.3168.861.90000112.1Y23S15-Y23 WeakPolarHBondContact CB-O 2.85Å; S15-Y23 PolarHBondContact N-O 3.04Å; S15-Y23 PolarHBondContact OG-N 3.46Å; S15-Y23 VanDerWaalsContact OG-N 3.1Å; S15-Y23 PolarHBondContact OG-O 3.08Å
16P88.1Confident88.5Confident11 Ų1130.9 Ų30.97%0.07117%0.169CC..PPolyproline II helixtrans-56.4153.1179.8-26.134.4000113.6G18 H19 W74 N76P16-G18 PolarHBondContact O-N 3.41Å; P16-G18 VanDerWaalsContact O-N 3.08Å; P16-H19 WeakPolarHBondContact O-CB 3.35Å; P16-H19 PolarHBondContact O-N 2.64Å; P16-W74 VanDerWaalsContact CD-CD1 3.44Å; P16-W74 HydrophobicContact CG-CG 4.29Å; P16-N76 HydrophobicContact CB-CB 3.84Å; P16-N76 HydrophobicContact CG-CB 4.19Å
17A83.8Confident88.6Confident50 Ų5030.5 Ų30.541%0.41317%0.167SC..THydrogen-bonded Turntrans-55.5-34.1-173.100000114.6H19 P312 R313A17-H19 VanDerWaalsContact C-N 3.31Å; A17-H19 PolarHBondContact O-N 3Å; A17-P312 HydrophobicContact CB-CB 4.13Å; A17-P312 WeakPolarHBondContact CB-O 3.45Å; A17-R313 WeakPolarHBondContact O-CG 3.31Å; A17-R313 PolarHBondContact O-NH1 3.17Å
18G77.9Confident88.8Confident57 Ų5726.7 Ų26.759%0.58815%0.151SC*.THydrogen-bonded Turntrans-71.2-21.6176.500000114.5P16 R313P16-G18 PolarHBondContact O-N 3.41Å; P16-G18 VanDerWaalsContact O-N 3.08Å; G18-R313 PolarHBondContact O-NH1 2.67Å; G18-R313 VanDerWaalsContact O-NH1 3.13Å
19H80.3Confident88.8Confident25 Ų2521.7 Ų21.712%0.11613%0.132CC..  trans-68.2140.7-174.6-160.8-74.3000112.4P16 A17 P21 Y23 G85 R313P16-H19 WeakPolarHBondContact O-CB 3.35Å; P16-H19 PolarHBondContact O-N 2.64Å; A17-H19 VanDerWaalsContact C-N 3.31Å; A17-H19 PolarHBondContact O-N 3Å; H19-P21 PolarHBondContact ND1-O 3.21Å; H19-Y23 AromaticContact CE1-CD2 3.44Å; H19-Y23 VanDerWaalsContact CE1-CD2 3.44Å; H19-Y23 WeakPolarHBondContact CE1-CD2 3.29Å; H19-Y23 AromaticContact CE1-CE2 3.36Å; H19-Y23 WeakPolarHBondContact CE1-CE2 3.18Å; H19-Y23 AromaticContact ND1-CD2 3.78Å; H19-G85 VanDerWaalsContact CD2-CA 3.49Å; H19-G85 WeakPolarHBondContact CD2-CA 3.27Å; H19-G85 WeakPolarHBondContact NE2-CA 3.3Å; H19-R313 VanDerWaalsContact O-CD 3.26Å; H19-R313 WeakPolarHBondContact O-CD 3.27Å; H19-R313 PolarHBondContact O-NH1 3.4Å
20H79.8Confident88.6Confident144 Ų14421.8 Ų21.867%0.66713%0.134SC*.SBendtrans-144.1132.4171.9-17472.5000109.6
21P84Confident88.1Confident35 Ų3527.6 Ų27.623%0.22716%0.161CC..SBendcis-65.4179.5-2.530.5-37000112.9H19 Y23 E47H19-P21 PolarHBondContact ND1-O 3.21Å; P21-Y23 HydrophobicContact CG-CE1 3.99Å; P21-Y23 HydrophobicContact CG-CE2 4.27Å; P21-E47 HydrophobicContact CB-CG 4.24Å; P21-E47 HydrophobicContact CG-CG 4.09Å
22I89.6Confident87.5Confident13 Ų1326.9 Ų26.97%0.06716%0.157CC..  trans-81125.5175.3-63.5174.3000108.6W14 M48 R313 N314 L317W14-I22 HydrophobicContact CE3-CG2 3.79Å; W14-I22 HydrophobicContact CZ3-CG2 3.59Å; I22-M48 HydrophobicContact CB-CB 4.22Å; I22-M48 HydrophobicContact CG2-CB 4.18Å; I22-M48 PolarHBondContact O-N 3.08Å; I22-R313 HydrophobicContact CD1-CB 4.32Å; I22-R313 HydrophobicContact CD1-CG 4.46Å; I22-R313 HydrophobicContact CG1-CB 4.41Å; I22-N314 HydrophobicContact CD1-CB 4.35Å; I22-L317 HydrophobicContact CD1-CD1 4.46Å
23Y91.3Very high86.5Confident30 Ų3031.8 Ų31.812%0.11818%0.183CC..EExtended strand (participates in β ladder)trans-112.3152172.9-65.8-54.9000111.4S15 H19 P21 I45 F46 E47 K60 W74 I106S15-Y23 WeakPolarHBondContact CB-O 2.85Å; S15-Y23 PolarHBondContact N-O 3.04Å; S15-Y23 PolarHBondContact OG-N 3.46Å; S15-Y23 VanDerWaalsContact OG-N 3.1Å; S15-Y23 PolarHBondContact OG-O 3.08Å; H19-Y23 AromaticContact CE1-CD2 3.44Å; H19-Y23 VanDerWaalsContact CE1-CD2 3.44Å; H19-Y23 WeakPolarHBondContact CE1-CD2 3.29Å; H19-Y23 AromaticContact CE1-CE2 3.36Å; H19-Y23 WeakPolarHBondContact CE1-CE2 3.18Å; H19-Y23 AromaticContact ND1-CD2 3.78Å; P21-Y23 HydrophobicContact CG-CE1 3.99Å; P21-Y23 HydrophobicContact CG-CE2 4.27Å; Y23-I45 HydrophobicContact CD1-CG2 4.13Å; Y23-I45 HydrophobicContact CG-CG2 4.05Å; Y23-F46 CarbonylContact C-O 3.55Å; Y23-F46 WeakPolarHBondContact CA-O 3.37Å; Y23-E47 HydrophobicContact CD1-CB 3.93Å; Y23-E47 HydrophobicContact CD1-CG 4Å; Y23-E47 HydrophobicContact CE1-CB 3.74Å; Y23-E47 HydrophobicContact CE1-CG 3.6Å; Y23-K60 HydrophobicContact CE1-CG 4.14Å; Y23-W74 VanDerWaalsContact CB-CH2 3.42Å; Y23-W74 HydrophobicContact CD2-CH2 4.01Å; Y23-W74 HydrophobicContact CD2-CZ2 4.5Å; Y23-W74 HydrophobicContact CG-CH2 4.09Å; Y23-I106 HydrophobicContact CD2-CD1 4.5Å; Y23-I106 HydrophobicContact CE2-CD1 3.95Å
24L93.6Very high85.4Confident0 Ų034.2 Ų34.20%020%0.196CC..EExtended strand (participates in β ladder)trans-122.1116.5168.5-171.671.6000108I6 Q12 W14 L26 F46 M57 I327I6-L24 HydrophobicContact CD1-CD2 4.17Å; Q12-L24 HydrophobicContact CB-CD1 4.33Å; W14-L24 HydrophobicContact CD2-CD1 3.68Å; W14-L24 HydrophobicContact CE3-CD1 3.89Å; W14-L24 HydrophobicContact CG-CD1 4.02Å; W14-L24 HydrophobicContact CZ2-CD1 4.39Å; W14-L24 HydrophobicContact CZ3-CD1 4.32Å; L24-L26 HydrophobicContact CD2-CD2 4.03Å; L24-L26 HydrophobicContact CG-CD2 4.07Å; L24-F46 PolarHBondContact N-O 3.27Å; L24-F46 PolarHBondContact O-N 2.94Å; L24-M57 HydrophobicContact CB-CE 4.35Å; L24-I327 HydrophobicContact CD2-CG2 4.32Å
25A93.6Very high84.2Confident0 Ų038.1 Ų38.10%023%0.23CC..EExtended strand (participates in β ladder)trans-90.4133.1173.600000109.7Q12 A13 E44 I45 W74 L88Q12-A25 CarbonylContact C-O 3.37Å; Q12-A25 WeakPolarHBondContact CA-O 3.28Å; A13-A25 PolarHBondContact N-O 3.06Å; A13-A25 PolarHBondContact O-N 3.49Å; A25-E44 CarbonylContact C-O 3.57Å; A25-E44 WeakPolarHBondContact CA-O 3.36Å; A25-I45 HydrophobicContact CB-CG1 4.4Å; A25-W74 HydrophobicContact CB-CE3 3.65Å; A25-W74 HydrophobicContact CB-CZ3 3.65Å; A25-L88 HydrophobicContact CB-CD1 3.76Å; A25-L88 HydrophobicContact CB-CD2 3.83Å; A25-L88 HydrophobicContact CB-CG 4.48Å
26L93.3Very high83Confident2 Ų241.8 Ų41.81%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-120122.2179.4-63.7-168.2000109.8I6 R8 A10 H11 Q12 L24 I43 E44 F46 I327I6-L26 HydrophobicContact CB-CD1 4.28Å; I6-L26 HydrophobicContact CD1-CD1 3.87Å; I6-L26 HydrophobicContact CG2-CD1 3.69Å; R8-L26 HydrophobicContact CB-CD1 4.13Å; R8-L26 HydrophobicContact CG-CD1 4.25Å; A10-L26 HydrophobicContact CB-CB 3.81Å; A10-L26 HydrophobicContact CB-CD1 4.48Å; A10-L26 HydrophobicContact CB-CD2 4.5Å; A10-L26 HydrophobicContact CB-CG 4.49Å; H11-L26 WeakPolarHBondContact O-CA 3.49Å; Q12-L26 HydrophobicContact CB-CD2 3.69Å; L24-L26 HydrophobicContact CD2-CD2 4.03Å; L24-L26 HydrophobicContact CG-CD2 4.07Å; L26-I43 CarbonylContact O-C 3.51Å; L26-I43 WeakPolarHBondContact O-CA 3.47Å; L26-E44 PolarHBondContact N-O 3.32Å; L26-E44 PolarHBondContact O-N 3.19Å; L26-F46 HydrophobicContact CB-CE2 4.43Å; L26-F46 HydrophobicContact CD1-CD2 3.96Å; L26-F46 HydrophobicContact CD1-CE2 3.69Å; L26-F46 HydrophobicContact CG-CD2 4.1Å; L26-F46 HydrophobicContact CG-CE2 4.15Å; L26-I327 HydrophobicContact CD1-CD1 3.88Å; L26-I327 HydrophobicContact CD2-CD1 3.52Å; L26-I327 HydrophobicContact CG-CD1 4.32Å
27G91.7Very high82.2Confident0 Ų048.6 Ų48.60%028%0.284CS..EExtended strand (participates in β ladder)trans-108.2127174.400000111.7A10 H11 S29A10-G27 CarbonylContact C-O 3.58Å; A10-G27 VanDerWaalsContact CA-O 3.28Å; A10-G27 WeakPolarHBondContact CA-O 3.39Å; A10-G27 VanDerWaalsContact CB-O 3.31Å; A10-G27 WeakPolarHBondContact CB-O 3.48Å; H11-G27 PolarHBondContact N-O 3.34Å; H11-G27 PolarHBondContact O-N 3.47Å; G27-S29 PolarHBondContact O-N 3.09Å; G27-S29 VanDerWaalsContact O-N 3.17Å
28T90.6Very high81.6Confident28 Ų2850.1 Ų50.117%0.17229%0.286CS..EExtended strand (participates in β ladder)trans-53.9122.8179.4-52.20000111.1A42 L69T28-A42 PolarHBondContact N-O 3.35Å; T28-A42 PolarHBondContact OG1-N 3.25Å; T28-A42 PolarHBondContact OG1-O 3.29Å; T28-L69 PolarHBondContact O-N 3.41Å
29S86.9Confident81.5Confident0 Ų053.1 Ų53.10%029%0.292CS..BIsolated β-bridgetrans-77.4143.1-169.9540000113.3T9 G27 Q32 R68 L69T9-S29 PolarHBondContact O-N 3.28Å; T9-S29 PolarHBondContact O-OG 2.89Å; G27-S29 PolarHBondContact O-N 3.09Å; G27-S29 VanDerWaalsContact O-N 3.17Å; S29-Q32 PolarHBondContact OG-OE1 3.39Å; S29-R68 PolarHBondContact O-NH1 2.58Å; S29-L69 WeakPolarHBondContact CA-O 3.36Å
30A83.5Confident81.6Confident17 Ų1755.9 Ų55.914%0.1431%0.311CS..SBendtrans-75.6-37.7177.900000114R68 L69 H70 E93A30-R68 HydrophobicContact CB-CB 3.83Å; A30-L69 PolarHBondContact N-O 3.01Å; A30-H70 WeakPolarHBondContact CB-ND1 3.48Å; A30-E93 HydrophobicContact CB-CB 4.38Å
31Q78.6Confident81.9Confident125 Ų12549.3 Ų49.358%0.58428%0.282SS*.SBendtrans-88.5-25.2-170.9-59.1-179.52.200113.7H70Q31-H70 PolarHBondContact NE2-CD2 3.06Å; Q31-H70 PolarHBondContact NE2-NE2 2.99Å
32Q78.4Confident82.2Confident12 Ų1248.3 Ų48.36%0.05628%0.277CS..  trans-103.8134.3-177.1-54.381.5-22.500109.9S29 F306 F323S29-Q32 PolarHBondContact OG-OE1 3.39Å; Q32-F306 HydrophobicContact CG-CD1 4.22Å; Q32-F306 HydrophobicContact CG-CE1 4.11Å; Q32-F306 HydrophobicContact CG-CZ 4.44Å; Q32-F306 VanDerWaalsContact NE2-CE2 3.31Å; Q32-F306 VanDerWaalsContact NE2-CG 3.26Å; Q32-F323 HydrophobicContact CB-CE2 4.46Å; Q32-F323 HydrophobicContact CG-CD2 4.17Å; Q32-F323 HydrophobicContact CG-CE2 3.99Å
33L72.3Confident82.3Confident106 Ų10647.7 Ų47.756%0.55527%0.274SS*.  trans-105.8134170-69.4171000108.9
34D69.7Low82.4Confident55 Ų5547.3 Ų47.329%0.29427%0.273SS..  trans-73.5156.1171.8-177.438.7000111.5T9 S36 F37T9-D34 HydrophobicContact CG2-CB 3.89Å; D34-S36 PolarHBondContact O-N 2.91Å; D34-S36 WeakPolarHBondContact OD2-CB 2.97Å; D34-S36 PolarHBondContact OD2-N 3.18Å; D34-S36 PolarHBondContact OD2-OG 2.98Å; D34-F37 PolarHBondContact O-N 3.44Å
35A68.5Low82.3Confident91 Ų9147.3 Ų47.375%0.75227%0.273SS*.THydrogen-bonded Turntrans-61.7-21.7175.700000113.2F37A35-F37 WeakPolarHBondContact O-CD2 3.24Å; A35-F37 PolarHBondContact O-N 3.06Å
36S68.2Low82.3Confident76 Ų7647.9 Ų47.953%0.53128%0.275SS..THydrogen-bonded Turntrans-70.9-11.1170.666.60000114.4D34 N38D34-S36 PolarHBondContact O-N 2.91Å; D34-S36 WeakPolarHBondContact OD2-CB 2.97Å; D34-S36 PolarHBondContact OD2-N 3.18Å; D34-S36 PolarHBondContact OD2-OG 2.98Å; S36-N38 PolarHBondContact O-N 3.28Å; S36-N38 VanDerWaalsContact O-N 3.1Å; S36-N38 WeakPolarHBondContact OG-CB 3.32Å; S36-N38 PolarHBondContact OG-N 3.49Å
37F69.8Low82.2Confident155 Ų15549.6 Ų49.668%0.6828%0.283SS*.  trans52.422.7-169.2-69.5-89.5000114.3D34 A35 T39D34-F37 PolarHBondContact O-N 3.44Å; A35-F37 WeakPolarHBondContact O-CD2 3.24Å; A35-F37 PolarHBondContact O-N 3.06Å; F37-T39 PolarHBondContact O-N 3.33Å; F37-T39 VanDerWaalsContact O-N 3.15Å
38N72.3Confident81.9Confident82 Ų8249.9 Ų49.944%0.43928%0.284SS..  trans-58.1122.4179.5-178.517.8000110.8S36 T40 R68S36-N38 PolarHBondContact O-N 3.28Å; S36-N38 VanDerWaalsContact O-N 3.1Å; S36-N38 WeakPolarHBondContact OG-CB 3.32Å; S36-N38 PolarHBondContact OG-N 3.49Å; N38-T40 PolarHBondContact ND2-OG1 3.43Å; N38-T40 PolarHBondContact OD1-N 3.28Å; N38-T40 PolarHBondContact OD1-OG1 2.63Å; N38-R68 PolarHBondContact O-NH2 2.9Å
39T75.1Confident81.5Confident119 Ų11950.9 Ų50.973%0.7329%0.289SS*.  trans-83.7-24.6-178.650.20000112.8F37 R68F37-T39 PolarHBondContact O-N 3.33Å; F37-T39 VanDerWaalsContact O-N 3.15Å; T39-R68 PolarHBondContact O-NH2 3.06Å; T39-R68 VanDerWaalsContact O-NH2 3.09Å
40T82.9Confident81.2Confident83 Ų8356.5 Ų56.551%0.50931%0.313SS..  trans-63.5141-176.465.10000111.8N38N38-T40 PolarHBondContact ND2-OG1 3.43Å; N38-T40 PolarHBondContact OD1-N 3.28Å; N38-T40 PolarHBondContact OD1-OG1 2.63Å
41A86.6Confident81Confident6 Ų659.8 Ų59.85%0.0534%0.341CS..EExtended strand (participates in β ladder)trans-103.7142.2169.800000109.4T65 N67 R68A41-T65 VanDerWaalsContact C-OG1 3.28Å; A41-T65 WeakPolarHBondContact CB-OG1 3.33Å; A41-T65 PolarHBondContact O-N 3.35Å; A41-T65 PolarHBondContact O-OG1 3.1Å; A41-N67 WeakPolarHBondContact CB-O 3.38Å; A41-R68 HydrophobicContact CB-CG 3.94Å
42A89.9Confident81Confident15 Ų1556.2 Ų56.212%0.12433%0.326CS..EExtended strand (participates in β ladder)trans-148.5160.2178.100000111.3T28 L63 T65T28-A42 PolarHBondContact N-O 3.35Å; T28-A42 PolarHBondContact OG1-N 3.25Å; T28-A42 PolarHBondContact OG1-O 3.29Å; A42-L63 CarbonylContact C-O 3.56Å; A42-L63 VanDerWaalsContact CA-O 3.26Å; A42-L63 WeakPolarHBondContact CA-O 3.26Å; A42-T65 PolarHBondContact N-OG1 3.45Å
43I91.6Very high80.8Confident0 Ų061.8 Ų61.80%036%0.363CS..EExtended strand (participates in β ladder)trans-113.1114.3163.4-63.9174.9000107.1L26 S62 L63 T65 L69 L88 Y100 I105L26-I43 CarbonylContact O-C 3.51Å; L26-I43 WeakPolarHBondContact O-CA 3.47Å; I43-S62 CarbonylContact O-C 3.59Å; I43-S62 WeakPolarHBondContact O-CA 3.27Å; I43-L63 PolarHBondContact N-O 3Å; I43-L63 PolarHBondContact O-N 3.16Å; I43-T65 HydrophobicContact CD1-CG2 4.03Å; I43-T65 HydrophobicContact CG1-CG2 4.01Å; I43-L69 HydrophobicContact CD1-CD1 4.05Å; I43-L69 HydrophobicContact CG1-CD1 4.07Å; I43-L88 HydrophobicContact CG2-CD2 3.57Å; I43-Y100 HydrophobicContact CD1-CD1 4.15Å; I43-Y100 HydrophobicContact CD1-CD2 3.71Å; I43-Y100 HydrophobicContact CD1-CE1 3.81Å; I43-Y100 HydrophobicContact CD1-CE2 3.34Å; I43-Y100 HydrophobicContact CD1-CG 4.1Å; I43-I105 HydrophobicContact CG2-CD1 4.15Å
44E92.6Very high81.2Confident22 Ų2258.8 Ų58.810%0.10335%0.351CS..EExtended strand (participates in β ladder)trans-108.8139.4178.2-72.1177136.700110.1R8 A25 L26 F46 L59 G61 S62R8-E44 WeakPolarHBondContact CD-OE2 3.36Å; R8-E44 WeakPolarHBondContact CG-OE2 3.35Å; R8-E44 IonicContact CZ-OE1 2.76Å; R8-E44 IonicContact CZ-OE2 3.64Å; R8-E44 IonicContact NE-OE1 2.74Å; R8-E44 PolarHBondContact NE-OE1 3.31Å; R8-E44 IonicContact NE-OE2 3.44Å; R8-E44 PolarHBondContact NE-OE2 3.1Å; R8-E44 IonicContact NH2-OE1 3.24Å; R8-E44 PolarHBondContact NH2-OE1 3.11Å; R8-E44 IonicContact NH2-OE2 2.7Å; A25-E44 CarbonylContact C-O 3.57Å; A25-E44 WeakPolarHBondContact CA-O 3.36Å; L26-E44 PolarHBondContact N-O 3.32Å; L26-E44 PolarHBondContact O-N 3.19Å; E44-F46 HydrophobicContact CB-CD2 4.21Å; E44-F46 HydrophobicContact CB-CE2 3.49Å; E44-F46 VanDerWaalsContact CB-CE2 3.49Å; E44-F46 HydrophobicContact CB-CZ 4.19Å; E44-F46 HydrophobicContact CG-CE2 4.43Å; E44-L59 HydrophobicContact CB-CD1 3.72Å; E44-L59 HydrophobicContact CG-CD1 3.98Å; E44-G61 WeakPolarHBondContact CA-O 3.44Å; E44-S62 WeakPolarHBondContact CG-OG 3.41Å
45I92.9Very high81.8Confident0 Ų059 Ų590%035%0.352CS..EExtended strand (participates in β ladder)trans-116.6122178-57179.3000109.3Y23 A25 K60 G61 W74 P102 I105 I106Y23-I45 HydrophobicContact CD1-CG2 4.13Å; Y23-I45 HydrophobicContact CG-CG2 4.05Å; A25-I45 HydrophobicContact CB-CG1 4.4Å; I45-K60 PolarHBondContact O-N 3.13Å; I45-G61 PolarHBondContact N-O 3.15Å; I45-G61 PolarHBondContact O-N 3.44Å; I45-W74 HydrophobicContact CG2-CH2 4.09Å; I45-W74 HydrophobicContact CG2-CZ3 4.41Å; I45-P102 HydrophobicContact CD1-CB 3.93Å; I45-I105 HydrophobicContact CD1-CB 3.88Å; I45-I105 HydrophobicContact CD1-CD1 4.26Å; I45-I105 HydrophobicContact CD1-CG2 3.81Å; I45-I105 HydrophobicContact CG1-CG2 4.14Å; I45-I106 HydrophobicContact CD1-CG1 4.35Å; I45-I106 HydrophobicContact CG2-CD1 4.27Å; I45-I106 HydrophobicContact CG2-CG1 4.47Å
46F92.6Very high82.5Confident12 Ų1261 Ų615%0.05335%0.345CS..EExtended strand (participates in β ladder)trans-112.1139.2-178.1-66.9-96.9000111.5I6 Y23 L24 L26 E44 M57 Q58 L59I6-F46 HydrophobicContact CD1-CB 3.82Å; I6-F46 HydrophobicContact CD1-CD1 3.84Å; I6-F46 HydrophobicContact CD1-CD2 3.74Å; I6-F46 HydrophobicContact CD1-CE1 4.31Å; I6-F46 HydrophobicContact CD1-CE2 4.22Å; I6-F46 HydrophobicContact CD1-CG 3.53Å; I6-F46 HydrophobicContact CD1-CZ 4.49Å; I6-F46 HydrophobicContact CG1-CD1 4.1Å; I6-F46 HydrophobicContact CG1-CE1 4.28Å; I6-F46 HydrophobicContact CG1-CG 4.3Å; I6-F46 HydrophobicContact CG2-CE1 3.97Å; I6-F46 HydrophobicContact CG2-CE2 4.06Å; I6-F46 HydrophobicContact CG2-CZ 3.69Å; Y23-F46 CarbonylContact C-O 3.55Å; Y23-F46 WeakPolarHBondContact CA-O 3.37Å; L24-F46 PolarHBondContact N-O 3.27Å; L24-F46 PolarHBondContact O-N 2.94Å; L26-F46 HydrophobicContact CB-CE2 4.43Å; L26-F46 HydrophobicContact CD1-CD2 3.96Å; L26-F46 HydrophobicContact CD1-CE2 3.69Å; L26-F46 HydrophobicContact CG-CD2 4.1Å; L26-F46 HydrophobicContact CG-CE2 4.15Å; E44-F46 HydrophobicContact CB-CD2 4.21Å; E44-F46 HydrophobicContact CB-CE2 3.49Å; E44-F46 VanDerWaalsContact CB-CE2 3.49Å; E44-F46 HydrophobicContact CB-CZ 4.19Å; E44-F46 HydrophobicContact CG-CE2 4.43Å; F46-M57 HydrophobicContact CB-CB 4.04Å; F46-M57 HydrophobicContact CB-CE 4.02Å; F46-M57 HydrophobicContact CD1-CB 3.98Å; F46-M57 HydrophobicContact CG-CB 4.42Å; F46-Q58 CarbonylContact C-O 3.57Å; F46-Q58 WeakPolarHBondContact CA-O 3.49Å; F46-L59 HydrophobicContact CD1-CB 4.14Å; F46-L59 HydrophobicContact CD1-CD1 4.38Å; F46-L59 HydrophobicContact CD2-CD1 4.36Å; F46-L59 HydrophobicContact CE1-CB 3.89Å; F46-L59 HydrophobicContact CE1-CD1 4.02Å; F46-L59 HydrophobicContact CE2-CD1 3.99Å; F46-L59 HydrophobicContact CZ-CB 4.49Å; F46-L59 HydrophobicContact CZ-CD1 3.81Å
47E91Very high83.3Confident37 Ų3758 Ų5817%0.17332%0.324CS..EExtended strand (participates in β ladder)trans-91.3135.7175.3-163169.6147.800112.2P21 Y23 D49 M57 Q58 K60P21-E47 HydrophobicContact CB-CG 4.24Å; P21-E47 HydrophobicContact CG-CG 4.09Å; Y23-E47 HydrophobicContact CD1-CB 3.93Å; Y23-E47 HydrophobicContact CD1-CG 4Å; Y23-E47 HydrophobicContact CE1-CB 3.74Å; Y23-E47 HydrophobicContact CE1-CG 3.6Å; E47-D49 PolarHBondContact O-N 3.43Å; E47-M57 WeakPolarHBondContact O-CE 3.23Å; E47-Q58 PolarHBondContact N-O 3.4Å; E47-K60 HydrophobicContact CB-CD 4.27Å; E47-K60 HydrophobicContact CB-CG 3.78Å; E47-K60 IonicContact OE1-NZ 3.89Å; E47-K60 VanDerWaalsContact OE2-CD 3.3Å; E47-K60 WeakPolarHBondContact OE2-CD 3.32Å; E47-K60 WeakPolarHBondContact OE2-CE 3.11Å; E47-K60 IonicContact OE2-NZ 3.29Å; E47-K60 PolarHBondContact OE2-NZ 3.41Å
48M86.7Confident84.1Confident6 Ų654.5 Ų54.53%0.0331%0.309CS..  trans-95.778.1173.3-163.1174.8-170.800111L3 K4 W14 I22 F50 M57 L317 V329L3-M48 HydrophobicContact CB-CE 4.28Å; L3-M48 HydrophobicContact CD1-CE 4.19Å; K4-M48 HydrophobicContact CG-CE 4.36Å; W14-M48 HydrophobicContact CH2-SD 3.95Å; W14-M48 HydrophobicContact CZ3-SD 4.05Å; I22-M48 HydrophobicContact CB-CB 4.22Å; I22-M48 HydrophobicContact CG2-CB 4.18Å; I22-M48 PolarHBondContact O-N 3.08Å; M48-F50 HydrophobicContact CE-CE1 3.53Å; M48-F50 HydrophobicContact CE-CZ 3.53Å; M48-F50 HydrophobicContact CG-CE1 4.38Å; M48-F50 HydrophobicContact CG-CE2 3.96Å; M48-F50 HydrophobicContact CG-CZ 3.77Å; M48-F50 WeakPolarHBondContact O-CE2 3.48Å; M48-F50 HydrophobicContact SD-CE1 4.23Å; M48-F50 HydrophobicContact SD-CE2 4.26Å; M48-F50 HydrophobicContact SD-CZ 3.58Å; M48-F50 VanDerWaalsContact SD-CZ 3.58Å; M48-M57 HydrophobicContact CB-CE 3.76Å; M48-M57 HydrophobicContact CG-CE 4.19Å; M48-L317 HydrophobicContact CE-CD1 4.18Å; M48-L317 HydrophobicContact CE-CD2 4.38Å; M48-L317 HydrophobicContact SD-CD1 3.86Å; M48-V329 HydrophobicContact CE-CB 4.11Å; M48-V329 HydrophobicContact CE-CG1 3.52Å; M48-V329 HydrophobicContact SD-CG1 4.15Å
49D81.8Confident84.9Confident50 Ų5054.5 Ų54.527%0.26731%0.309SS..  trans-76.3142.6165-17827.9000111K4 E47 A51 D52K4-D49 VanDerWaalsContact CE-O 3.24Å; K4-D49 WeakPolarHBondContact CE-O 3.26Å; E47-D49 PolarHBondContact O-N 3.43Å; D49-A51 WeakPolarHBondContact OD1-CB 3.25Å; D49-A51 PolarHBondContact OD1-N 3.06Å; D49-D52 PolarHBondContact OD2-N 2.91Å; D49-D52 VanDerWaalsContact OD2-N 3.1Å
50F80Confident85.6Confident117 Ų11752.1 Ų52.151%0.51329%0.288SS..SBendtrans-112.8-8.2176.3-62.2-89000112.8L3 M48 L317L3-F50 HydrophobicContact CD1-CE1 4.43Å; M48-F50 HydrophobicContact CE-CE1 3.53Å; M48-F50 HydrophobicContact CE-CZ 3.53Å; M48-F50 HydrophobicContact CG-CE1 4.38Å; M48-F50 HydrophobicContact CG-CE2 3.96Å; M48-F50 HydrophobicContact CG-CZ 3.77Å; M48-F50 WeakPolarHBondContact O-CE2 3.48Å; M48-F50 HydrophobicContact SD-CE1 4.23Å; M48-F50 HydrophobicContact SD-CE2 4.26Å; M48-F50 HydrophobicContact SD-CZ 3.58Å; M48-F50 VanDerWaalsContact SD-CZ 3.58Å; F50-L317 HydrophobicContact CE1-CD1 4.49Å; F50-L317 HydrophobicContact CE1-CD2 4.46Å; F50-L317 HydrophobicContact CZ-CD1 3.83Å
51A80.4Confident85.8Confident87 Ų8748.6 Ų48.672%0.71927%0.268SS*.SBendtrans-74.8-37.2173.700000111.4D49 P53D49-A51 WeakPolarHBondContact OD1-CB 3.25Å; D49-A51 PolarHBondContact OD1-N 3.06Å; A51-P53 WeakPolarHBondContact O-CD 3.41Å
52D78Confident85.9Confident49 Ų4951.3 Ų51.326%0.26229%0.287SS..SBendtrans-73.4115169.2169.932000112.5K4 D49 S54K4-D52 PolarHBondContact NZ-O 3.37Å; K4-D52 VanDerWaalsContact NZ-O 3.15Å; K4-D52 IonicContact NZ-OD2 3.36Å; K4-D52 PolarHBondContact NZ-OD2 3.35Å; D49-D52 PolarHBondContact OD2-N 2.91Å; D49-D52 VanDerWaalsContact OD2-N 3.1Å; D52-S54 VanDerWaalsContact C-N 3.25Å; D52-S54 PolarHBondContact O-N 3.07Å; D52-S54 VanDerWaalsContact OD1-CB 3.24Å; D52-S54 WeakPolarHBondContact OD1-CB 3.3Å; D52-S54 PolarHBondContact OD1-N 3.03Å; D52-S54 PolarHBondContact OD1-OG 2.91Å; D52-S54 WeakPolarHBondContact OD2-CB 3.46Å; D52-S54 PolarHBondContact OD2-OG 2.9Å
53P74.9Confident85.9Confident130 Ų13052 Ų5284%0.84429%0.289SS*.  trans-78.2017935.5-37.9000114.3A51A51-P53 WeakPolarHBondContact O-CD 3.41Å
54S80.7Confident85.8Confident43 Ų4357 Ų5730%0.30132%0.323SS..SBendtrans-62.1161.5174.388.60000111.7K4 D52 E56K4-S54 WeakPolarHBondContact CD-O 3.33Å; K4-S54 WeakPolarHBondContact CE-O 3.25Å; K4-S54 PolarHBondContact NZ-O 3.37Å; K4-S54 PolarHBondContact NZ-OG 3.32Å; D52-S54 VanDerWaalsContact C-N 3.25Å; D52-S54 PolarHBondContact O-N 3.07Å; D52-S54 VanDerWaalsContact OD1-CB 3.24Å; D52-S54 WeakPolarHBondContact OD1-CB 3.3Å; D52-S54 PolarHBondContact OD1-N 3.03Å; D52-S54 PolarHBondContact OD1-OG 2.91Å; D52-S54 WeakPolarHBondContact OD2-CB 3.46Å; D52-S54 PolarHBondContact OD2-OG 2.9Å; S54-E56 VanDerWaalsContact C-N 3.33Å; S54-E56 PolarHBondContact OG-N 2.72Å; S54-E56 VanDerWaalsContact OG-N 3.11Å; S54-E56 PolarHBondContact OG-O 2.76Å
55L81.4Confident85.4Confident58 Ų5857.1 Ų57.130%0.30433%0.326SS..SBendtrans-80.1-11.6169.2-74.4172000113.1K4 E5K4-L55 CarbonylContact C-O 3.34Å; K4-L55 VanDerWaalsContact CA-O 3.24Å; K4-L55 WeakPolarHBondContact CA-O 3.29Å; E5-L55 PolarHBondContact N-O 3.42Å
56E83.3Confident84.9Confident133 Ų13363.5 Ų63.562%0.62137%0.365SS*.BIsolated β-bridgetrans-87.4147.3-173.4-59.3-169.1154.900111.9K4 S54K4-E56 VanDerWaalsContact CD-O 3.31Å; K4-E56 WeakPolarHBondContact CD-O 3.41Å; K4-E56 WeakPolarHBondContact CE-O 3.26Å; K4-E56 PolarHBondContact NZ-O 3.22Å; S54-E56 VanDerWaalsContact C-N 3.33Å; S54-E56 PolarHBondContact OG-N 2.72Å; S54-E56 VanDerWaalsContact OG-N 3.11Å; S54-E56 PolarHBondContact OG-O 2.76Å
57M85.8Confident84.5Confident15 Ų1565.2 Ų65.27%0.07438%0.375CS..PPolyproline II helixtrans-98.5141.5172.5-61.7-172.158.900111K4 I6 L24 F46 E47 M48 L59 V329K4-M57 HydrophobicContact CB-CG 3.52Å; K4-M57 HydrophobicContact CB-SD 3.81Å; K4-M57 HydrophobicContact CD-CG 4.11Å; K4-M57 HydrophobicContact CG-CG 3.87Å; K4-M57 HydrophobicContact CG-SD 4.45Å; I6-M57 HydrophobicContact CD1-CB 4.06Å; I6-M57 HydrophobicContact CD1-CE 4.44Å; I6-M57 HydrophobicContact CD1-CG 4.16Å; I6-M57 HydrophobicContact CD1-SD 3.57Å; I6-M57 VanDerWaalsContact CD1-SD 3.57Å; I6-M57 HydrophobicContact CG1-CB 3.87Å; I6-M57 HydrophobicContact CG1-CG 3.97Å; I6-M57 HydrophobicContact CG1-SD 3.93Å; L24-M57 HydrophobicContact CB-CE 4.35Å; F46-M57 HydrophobicContact CB-CB 4.04Å; F46-M57 HydrophobicContact CB-CE 4.02Å; F46-M57 HydrophobicContact CD1-CB 3.98Å; F46-M57 HydrophobicContact CG-CB 4.42Å; E47-M57 WeakPolarHBondContact O-CE 3.23Å; M48-M57 HydrophobicContact CB-CE 3.76Å; M48-M57 HydrophobicContact CG-CE 4.19Å; M57-L59 PolarHBondContact O-N 2.99Å; M57-V329 HydrophobicContact SD-CG2 4.2Å
58Q85.4Confident84.4Confident81 Ų8165.2 Ų65.238%0.37937%0.373SS..EExtended strand (participates in β ladder)trans-75.9117.3179-63.4176.713.500110.3F46 E47 K60F46-Q58 CarbonylContact C-O 3.57Å; F46-Q58 WeakPolarHBondContact CA-O 3.49Å; E47-Q58 PolarHBondContact N-O 3.4Å; Q58-K60 PolarHBondContact O-N 2.94Å; Q58-K60 VanDerWaalsContact OE1-CE 3.25Å
59L90.1Very high84.6Confident82 Ų8265 Ų6543%0.42937%0.372SS..EExtended strand (participates in β ladder)trans-65.8126166.8-178.766.6000109.3E44 F46 M57 G61E44-L59 HydrophobicContact CB-CD1 3.72Å; E44-L59 HydrophobicContact CG-CD1 3.98Å; F46-L59 HydrophobicContact CD1-CB 4.14Å; F46-L59 HydrophobicContact CD1-CD1 4.38Å; F46-L59 HydrophobicContact CD2-CD1 4.36Å; F46-L59 HydrophobicContact CE1-CB 3.89Å; F46-L59 HydrophobicContact CE1-CD1 4.02Å; F46-L59 HydrophobicContact CE2-CD1 3.99Å; F46-L59 HydrophobicContact CZ-CB 4.49Å; F46-L59 HydrophobicContact CZ-CD1 3.81Å; M57-L59 PolarHBondContact O-N 2.99Å; L59-G61 WeakPolarHBondContact CD1-O 3.37Å
60K88.2Confident85Confident68 Ų6863.5 Ų63.530%0.29636%0.363SS..EExtended strand (participates in β ladder)trans-107.6-27.9180-64.6-72.1149.6135.80113.5Y23 I45 E47 Q58 I106Y23-K60 HydrophobicContact CE1-CG 4.14Å; I45-K60 PolarHBondContact O-N 3.13Å; E47-K60 HydrophobicContact CB-CD 4.27Å; E47-K60 HydrophobicContact CB-CG 3.78Å; E47-K60 IonicContact OE1-NZ 3.89Å; E47-K60 VanDerWaalsContact OE2-CD 3.3Å; E47-K60 WeakPolarHBondContact OE2-CD 3.32Å; E47-K60 WeakPolarHBondContact OE2-CE 3.11Å; E47-K60 IonicContact OE2-NZ 3.29Å; E47-K60 PolarHBondContact OE2-NZ 3.41Å; Q58-K60 PolarHBondContact O-N 2.94Å; Q58-K60 VanDerWaalsContact OE1-CE 3.25Å; K60-I106 HydrophobicContact CB-CG1 4.18Å; K60-I106 HydrophobicContact CB-CG2 4.27Å
61G87Confident85.5Confident9 Ų959 Ų599%0.09335%0.346CS..EExtended strand (participates in β ladder)trans-160.2151.4178.200000111.2E44 I45 L59 I105E44-G61 WeakPolarHBondContact CA-O 3.44Å; I45-G61 PolarHBondContact N-O 3.15Å; I45-G61 PolarHBondContact O-N 3.44Å; L59-G61 WeakPolarHBondContact CD1-O 3.37Å; G61-I105 WeakPolarHBondContact CA-O 3.47Å
62S90.3Very high86.1Confident64 Ų6455.2 Ų55.245%0.44831%0.314SS..EExtended strand (participates in β ladder)trans-143.8132.5176.5-175.50000110I43 E44I43-S62 CarbonylContact O-C 3.59Å; I43-S62 WeakPolarHBondContact O-CA 3.27Å; E44-S62 WeakPolarHBondContact CG-OG 3.41Å
63L89.8Confident86.9Confident30 Ų3053.9 Ų53.916%0.15731%0.307CS..EExtended strand (participates in β ladder)trans-123.9110.6178.917871.4000109.3A42 I43 T65 Y100 I105 A112A42-L63 CarbonylContact C-O 3.56Å; A42-L63 VanDerWaalsContact CA-O 3.26Å; A42-L63 WeakPolarHBondContact CA-O 3.26Å; I43-L63 PolarHBondContact N-O 3Å; I43-L63 PolarHBondContact O-N 3.16Å; L63-T65 PolarHBondContact O-N 3.14Å; L63-Y100 HydrophobicContact CD2-CD1 3.47Å; L63-Y100 VanDerWaalsContact CD2-CD1 3.47Å; L63-Y100 HydrophobicContact CD2-CE1 3.57Å; L63-I105 HydrophobicContact CB-CD1 4.2Å; L63-I105 HydrophobicContact CB-CG1 4.06Å; L63-I105 HydrophobicContact CB-CG2 4.16Å; L63-I105 HydrophobicContact CD2-CD1 3.97Å; L63-I105 HydrophobicContact CD2-CG1 4.07Å; L63-A112 HydrophobicContact CD1-CB 3.85Å; L63-A112 HydrophobicContact CD2-CB 3.87Å; L63-A112 HydrophobicContact CG-CB 4.46Å
64S88.1Confident87.7Confident104 Ų10448 Ų4873%0.72727%0.269SS*.EExtended strand (participates in β ladder)trans-61.6131.2170.3-56.80000110.4
65T85.5Confident88.2Confident24 Ų2446 Ų4615%0.14725%0.254CS..EExtended strand (participates in β ladder)trans-115.3153.1177.7520000110.2A41 A42 I43 L63 N67 Y100A41-T65 VanDerWaalsContact C-OG1 3.28Å; A41-T65 WeakPolarHBondContact CB-OG1 3.33Å; A41-T65 PolarHBondContact O-N 3.35Å; A41-T65 PolarHBondContact O-OG1 3.1Å; A42-T65 PolarHBondContact N-OG1 3.45Å; I43-T65 HydrophobicContact CD1-CG2 4.03Å; I43-T65 HydrophobicContact CG1-CG2 4.01Å; L63-T65 PolarHBondContact O-N 3.14Å; T65-N67 PolarHBondContact OG1-O 2.91Å; T65-Y100 HydrophobicContact CG2-CE1 4.27Å
66T81.4Confident88.4Confident135 Ų13546.1 Ų46.183%0.82826%0.255SS*.SBendtrans-74.4-32.8177.546.30000112.6
67N85.8Confident88.2Confident48 Ų4841.5 Ų41.526%0.25723%0.233SC..SBendtrans-119.2150.6-173.6-61.8-28.2000111.1A41 T65 N94A41-N67 WeakPolarHBondContact CB-O 3.38Å; T65-N67 PolarHBondContact OG1-O 2.91Å; N67-N94 PolarHBondContact ND2-ND2 3.37Å; N67-N94 VanDerWaalsContact ND2-ND2 3.19Å; N67-N94 PolarHBondContact ND2-OD1 2.93Å
68R88.9Confident87.3Confident36 Ų3642.3 Ų42.314%0.13625%0.245CC..  trans-79.2153170.6-66.6175.8174.7-113.2-10.1111.6S29 A30 N38 T39 A41 E93S29-R68 PolarHBondContact O-NH1 2.58Å; A30-R68 HydrophobicContact CB-CB 3.83Å; N38-R68 PolarHBondContact O-NH2 2.9Å; T39-R68 PolarHBondContact O-NH2 3.06Å; T39-R68 VanDerWaalsContact O-NH2 3.09Å; A41-R68 HydrophobicContact CB-CG 3.94Å; R68-E93 PolarHBondContact O-N 3.06Å
69L90.6Very high86Confident1 Ų141 Ų411%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-100.8131.1-176.7-60.5-176.8000112.2H11 T28 S29 A30 I43 I72 G91H11-L69 PolarHBondContact ND1-O 2.67Å; T28-L69 PolarHBondContact O-N 3.41Å; S29-L69 WeakPolarHBondContact CA-O 3.36Å; A30-L69 PolarHBondContact N-O 3.01Å; I43-L69 HydrophobicContact CD1-CD1 4.05Å; I43-L69 HydrophobicContact CG1-CD1 4.07Å; L69-I72 HydrophobicContact CD1-CB 4.34Å; L69-I72 HydrophobicContact CD1-CD1 3.93Å; L69-I72 HydrophobicContact CD1-CG1 4.3Å; L69-G91 CarbonylContact C-O 3.28Å; L69-G91 WeakPolarHBondContact CA-O 3.3Å
70H89.8Confident84Confident20 Ų2041.8 Ų41.89%0.09326%0.261CS..EExtended strand (participates in β ladder)trans-84.4-31.4169.4-103.684.1000111.9H11 A30 Q31 G91 V124 R125H11-H70 PolarHBondContact CE1-O 3.15Å; H11-H70 PolarHBondContact ND1-O 2.93Å; A30-H70 WeakPolarHBondContact CB-ND1 3.48Å; Q31-H70 PolarHBondContact NE2-CD2 3.06Å; Q31-H70 PolarHBondContact NE2-NE2 2.99Å; H70-G91 PolarHBondContact N-O 3.25Å; H70-V124 VanDerWaalsContact CB-O 3.22Å; H70-V124 WeakPolarHBondContact CB-O 3.47Å; H70-R125 PolarHBondContact NE2-NH1 2.99Å; H70-R125 VanDerWaalsContact NE2-NH1 3.12Å
71S89.9Confident82.1Confident22 Ų2247.5 Ų47.515%0.15429%0.289CS..EExtended strand (participates in β ladder)trans-150.1152177.7-170.20000110.3G91S71-G91 PolarHBondContact N-O 3.16Å; S71-G91 PolarHBondContact O-N 2.99Å
72I93.7Very high80Confident8 Ų854 Ų544%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-146.6135.1178.4-167.6174000110H11 A13 L69 L88 V89H11-I72 HydrophobicContact CB-CG2 3.81Å; A13-I72 HydrophobicContact CB-CG1 4.49Å; A13-I72 HydrophobicContact CB-CG2 4.15Å; L69-I72 HydrophobicContact CD1-CB 4.34Å; L69-I72 HydrophobicContact CD1-CD1 3.93Å; L69-I72 HydrophobicContact CD1-CG1 4.3Å; I72-L88 HydrophobicContact CD1-CD1 3.98Å; I72-L88 HydrophobicContact CD1-CD2 4.11Å; I72-L88 HydrophobicContact CD1-CG 4.11Å; I72-L88 HydrophobicContact CG1-CD1 3.84Å; I72-L88 HydrophobicContact CG1-CG 4.18Å; I72-V89 WeakPolarHBondContact CA-O 3.47Å
73V93.6Very high78.2Confident20 Ų2053.5 Ų53.512%0.12133%0.326CS..EExtended strand (participates in β ladder)trans-140.9137-175173.60000110.3V75 V89 L127 F129V73-V75 HydrophobicContact CG1-CG2 4.04Å; V73-V89 PolarHBondContact N-O 3.43Å; V73-V89 PolarHBondContact O-N 2.86Å; V73-L127 HydrophobicContact CB-CB 4.39Å; V73-L127 HydrophobicContact CG2-CB 3.54Å; V73-L127 HydrophobicContact CG2-CD1 4.44Å; V73-F129 HydrophobicContact CG1-CD1 3.64Å; V73-F129 HydrophobicContact CG1-CE1 4.29Å
74W92.9Very high76.6Confident8 Ų853 Ų533%0.0332%0.324CS..EExtended strand (participates in β ladder)trans-107.2117.5177.2-157.4-27.9000110.2A13 W14 P16 Y23 A25 I45 G85 L88 P102A13-W74 HydrophobicContact CB-CB 4.25Å; W14-W74 WeakPolarHBondContact O-CB 3.16Å; P16-W74 VanDerWaalsContact CD-CD1 3.44Å; P16-W74 HydrophobicContact CG-CG 4.29Å; Y23-W74 VanDerWaalsContact CB-CH2 3.42Å; Y23-W74 HydrophobicContact CD2-CH2 4.01Å; Y23-W74 HydrophobicContact CD2-CZ2 4.5Å; Y23-W74 HydrophobicContact CG-CH2 4.09Å; A25-W74 HydrophobicContact CB-CE3 3.65Å; A25-W74 HydrophobicContact CB-CZ3 3.65Å; I45-W74 HydrophobicContact CG2-CH2 4.09Å; I45-W74 HydrophobicContact CG2-CZ3 4.41Å; W74-G85 PolarHBondContact NE1-O 3.2Å; W74-L88 HydrophobicContact CB-CD1 3.88Å; W74-L88 HydrophobicContact CD2-CD1 4.19Å; W74-L88 HydrophobicContact CE3-CD1 4.27Å; W74-L88 HydrophobicContact CG-CD1 4.04Å; W74-P102 HydrophobicContact CH2-CB 4.13Å; W74-P102 HydrophobicContact CZ2-CB 3.48Å; W74-P102 VanDerWaalsContact CZ2-CB 3.48Å; W74-P102 HydrophobicContact CZ2-CG 3.6Å
75V89.9Confident75.6Confident0 Ų048.1 Ų48.10%029%0.29CS..EExtended strand (participates in β ladder)trans-106.4141.1-170.8-170.70000111.1V73 F77 G86 R87 V89 F129 S134 L137 L151V73-V75 HydrophobicContact CG1-CG2 4.04Å; V75-F77 HydrophobicContact CG1-CB 4.43Å; V75-F77 PolarHBondContact O-N 3.39Å; V75-G86 CarbonylContact O-C 3.41Å; V75-G86 VanDerWaalsContact O-CA 3.27Å; V75-G86 WeakPolarHBondContact O-CA 3.41Å; V75-R87 PolarHBondContact N-O 3.33Å; V75-R87 PolarHBondContact O-N 3.38Å; V75-V89 HydrophobicContact CG2-CG2 4.43Å; V75-F129 HydrophobicContact CG1-CB 3.98Å; V75-F129 HydrophobicContact CG1-CD2 4.02Å; V75-F129 HydrophobicContact CG1-CG 4.08Å; V75-F129 HydrophobicContact CG2-CB 3.85Å; V75-F129 HydrophobicContact CG2-CD1 4.4Å; V75-F129 HydrophobicContact CG2-CG 4.13Å; V75-S134 WeakPolarHBondContact CG1-O 3.32Å; V75-L137 HydrophobicContact CG2-CD1 4.4Å; V75-L151 HydrophobicContact CB-CD1 4.5Å; V75-L151 HydrophobicContact CG1-CD1 4.23Å
76N85.6Confident75.6Confident60 Ų6047 Ų4732%0.32128%0.283SS..  trans-79.660.3179.9-166.331.5000113P16 T79 S134P16-N76 HydrophobicContact CB-CB 3.84Å; P16-N76 HydrophobicContact CG-CB 4.19Å; N76-T79 WeakPolarHBondContact OD1-CG2 3.49Å; N76-T79 PolarHBondContact OD1-OG1 3.3Å; N76-S134 WeakPolarHBondContact O-CB 3.48Å; N76-S134 PolarHBondContact O-OG 3.15Å
77F80.1Confident76Confident37 Ų3742.3 Ų42.316%0.16225%0.251CS..  trans-114.2132-176.4-177.6-96.7000111.5V75 G86 R87 N135 L151 N152V75-F77 HydrophobicContact CG1-CB 4.43Å; V75-F77 PolarHBondContact O-N 3.39Å; F77-G86 CarbonylContact O-C 3.56Å; F77-G86 VanDerWaalsContact O-CA 3.26Å; F77-G86 WeakPolarHBondContact O-CA 3.31Å; F77-R87 HydrophobicContact CB-CG 4.3Å; F77-R87 HydrophobicContact CD1-CG 3.75Å; F77-N135 HydrophobicContact CD2-CB 3.89Å; F77-N135 HydrophobicContact CE2-CB 3.61Å; F77-L151 HydrophobicContact CB-CD1 3.85Å; F77-L151 HydrophobicContact CD1-CB 4.18Å; F77-L151 HydrophobicContact CD1-CD1 4.19Å; F77-L151 HydrophobicContact CD2-CB 4.2Å; F77-L151 HydrophobicContact CD2-CD1 4.21Å; F77-L151 HydrophobicContact CE1-CB 4.02Å; F77-L151 HydrophobicContact CE2-CB 4.07Å; F77-L151 HydrophobicContact CG-CB 4.25Å; F77-L151 HydrophobicContact CG-CD1 3.82Å; F77-L151 HydrophobicContact CZ-CB 3.96Å; F77-N152 WeakPolarHBondContact CZ-OD1 3.23Å
78G66.6Low76.3Confident31 Ų3140 Ų4032%0.3224%0.238SC..SBendtrans88.55-179.900000116.1A80 T84G78-A80 VanDerWaalsContact C-N 3.33Å; G78-A80 PolarHBondContact O-N 3.07Å; G78-T84 PolarHBondContact O-OG1 3.25Å
79T58.7Low76.5Confident54 Ų5438.3 Ų38.333%0.33123%0.232SC..  trans-80.61.8-174.630.40000115.7N76 T84N76-T79 WeakPolarHBondContact OD1-CG2 3.49Å; N76-T79 PolarHBondContact OD1-OG1 3.3Å; T79-T84 WeakPolarHBondContact CG2-O 3.3Å
80A48.3Very low76.6Confident98 Ų9838.3 Ų38.381%0.8123%0.232SC*.SBendtrans-92.3-28.6-165.600000116.1G78G78-A80 VanDerWaalsContact C-N 3.33Å; G78-A80 PolarHBondContact O-N 3.07Å
81E47.6Very low76.7Confident188 Ų18837.3 Ų37.388%0.87923%0.227SC*.SBendtrans-132-47-175-63.2-167.7136.400112.9G83E81-G83 PolarHBondContact O-N 2.84Å
82D43.5Very low76.8Confident146 Ų14636.4 Ų36.478%0.78122%0.221SC*.SBendtrans-88.23.4-178-66.4-45.5000114.7T84D82-T84 HydrophobicContact CB-CG2 3.89Å; D82-T84 PolarHBondContact O-N 3.38Å; D82-T84 VanDerWaalsContact O-N 3.13Å
83G51.3Low76.4Confident53 Ų5341 Ų4155%0.54624%0.242SC..  trans72.3-6.4-17600000115.7E81 G85E81-G83 PolarHBondContact O-N 2.84Å; G83-G85 PolarHBondContact O-N 3.23Å
84T57.9Low76.1Confident20 Ų2044.1 Ų44.112%0.12326%0.258CS..  trans-55.7132.3-165.369.40000113.8G78 T79 D82 G86 R87 E103G78-T84 PolarHBondContact O-OG1 3.25Å; T79-T84 WeakPolarHBondContact CG2-O 3.3Å; D82-T84 HydrophobicContact CB-CG2 3.89Å; D82-T84 PolarHBondContact O-N 3.38Å; D82-T84 VanDerWaalsContact O-N 3.13Å; T84-G86 PolarHBondContact O-N 3.37Å; T84-R87 PolarHBondContact OG1-NH1 3.26Å; T84-E103 VanDerWaalsContact CA-OE1 3.29Å; T84-E103 WeakPolarHBondContact CA-OE1 3.45Å; T84-E103 VanDerWaalsContact CA-OE2 3.27Å; T84-E103 WeakPolarHBondContact CA-OE2 3.31Å; T84-E103 WeakPolarHBondContact CB-OE2 3.45Å; T84-E103 WeakPolarHBondContact CG2-OE2 3.2Å
85G66.4Low75.8Confident1 Ų143.8 Ų43.81%0.0126%0.257CS..  trans-64.336-172.400000118H19 W74 G83 E103H19-G85 VanDerWaalsContact CD2-CA 3.49Å; H19-G85 WeakPolarHBondContact CD2-CA 3.27Å; H19-G85 WeakPolarHBondContact NE2-CA 3.3Å; W74-G85 PolarHBondContact NE1-O 3.2Å; G83-G85 PolarHBondContact O-N 3.23Å; G85-E103 PolarHBondContact N-OE1 3.18Å
86G85Confident75.9Confident0 Ų044 Ų440%026%0.258CS..  trans82.1-164.5-177.600000113V75 F77 T84 P102V75-G86 CarbonylContact O-C 3.41Å; V75-G86 VanDerWaalsContact O-CA 3.27Å; V75-G86 WeakPolarHBondContact O-CA 3.41Å; F77-G86 CarbonylContact O-C 3.56Å; F77-G86 VanDerWaalsContact O-CA 3.26Å; F77-G86 WeakPolarHBondContact O-CA 3.31Å; T84-G86 PolarHBondContact O-N 3.37Å; G86-P102 WeakPolarHBondContact O-CD 3.27Å
87R89.5Confident76.2Confident38 Ų3841.1 Ų41.114%0.14324%0.243CC..EExtended strand (participates in β ladder)trans-131.2141.3168.5-63.6-63.3179-83.9-0.4109.8V75 F77 T84 V99V75-R87 PolarHBondContact N-O 3.33Å; V75-R87 PolarHBondContact O-N 3.38Å; F77-R87 HydrophobicContact CB-CG 4.3Å; F77-R87 HydrophobicContact CD1-CG 3.75Å; T84-R87 PolarHBondContact OG1-NH1 3.26Å; R87-V99 HydrophobicContact CB-CG1 4.11Å; R87-V99 HydrophobicContact CG-CG1 4.45Å
88L91.7Very high76.8Confident0 Ų039.6 Ų39.60%024%0.237CC..EExtended strand (participates in β ladder)trans-105.6131.8178.9-176.870.6000108A13 A25 I43 I72 W74 Y100 P102A13-L88 HydrophobicContact CB-CD1 4.23Å; A25-L88 HydrophobicContact CB-CD1 3.76Å; A25-L88 HydrophobicContact CB-CD2 3.83Å; A25-L88 HydrophobicContact CB-CG 4.48Å; I43-L88 HydrophobicContact CG2-CD2 3.57Å; I72-L88 HydrophobicContact CD1-CD1 3.98Å; I72-L88 HydrophobicContact CD1-CD2 4.11Å; I72-L88 HydrophobicContact CD1-CG 4.11Å; I72-L88 HydrophobicContact CG1-CD1 3.84Å; I72-L88 HydrophobicContact CG1-CG 4.18Å; W74-L88 HydrophobicContact CB-CD1 3.88Å; W74-L88 HydrophobicContact CD2-CD1 4.19Å; W74-L88 HydrophobicContact CE3-CD1 4.27Å; W74-L88 HydrophobicContact CG-CD1 4.04Å; L88-Y100 PolarHBondContact N-O 2.95Å; L88-Y100 PolarHBondContact O-N 2.73Å; L88-P102 HydrophobicContact CB-CG 4.13Å
89V93.3Very high78Confident0 Ų038.5 Ų38.50%022%0.223CC..EExtended strand (participates in β ladder)trans-122.5125.5-178.2-167.50000110I72 V73 V75 L97 T98 V99 L137I72-V89 WeakPolarHBondContact CA-O 3.47Å; V73-V89 PolarHBondContact N-O 3.43Å; V73-V89 PolarHBondContact O-N 2.86Å; V75-V89 HydrophobicContact CG2-CG2 4.43Å; V89-L97 HydrophobicContact CG1-CD2 4.44Å; V89-T98 WeakPolarHBondContact CA-O 3.44Å; V89-V99 HydrophobicContact CG1-CG2 4.22Å; V89-V99 HydrophobicContact CG2-CG1 4.37Å; V89-V99 HydrophobicContact CG2-CG2 4.17Å; V89-L137 HydrophobicContact CB-CD2 4.21Å; V89-L137 HydrophobicContact CG1-CD2 3.71Å; V89-L137 HydrophobicContact CG2-CD2 4.2Å
90G93.2Very high79.5Confident0 Ų036.4 Ų36.40%021%0.21CC..EExtended strand (participates in β ladder)trans-107.6131.8176.800000111.8T98G90-T98 PolarHBondContact N-O 3.29Å; G90-T98 PolarHBondContact O-N 2.94Å
91G93Very high81.5Confident0 Ų033.1 Ų33.10%018%0.179CC..EExtended strand (participates in β ladder)trans-95.4114.316900000110.2L69 H70 S71L69-G91 CarbonylContact C-O 3.28Å; L69-G91 WeakPolarHBondContact CA-O 3.3Å; H70-G91 PolarHBondContact N-O 3.25Å; S71-G91 PolarHBondContact N-O 3.16Å; S71-G91 PolarHBondContact O-N 2.99Å
92S91.1Very high83.4Confident3 Ų324.3 Ų24.32%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-87.7157.7-176.8-54.10000112.3N94 G95 T96 V124S92-N94 VanDerWaalsContact C-N 3.28Å; S92-N94 WeakPolarHBondContact CB-OD1 3.31Å; S92-N94 PolarHBondContact O-N 3.11Å; S92-G95 PolarHBondContact O-N 3.38Å; S92-T96 WeakPolarHBondContact CB-O 3.28Å; S92-T96 PolarHBondContact N-O 2.91Å; S92-T96 PolarHBondContact OG-O 3.49Å; S92-T96 VanDerWaalsContact OG-O 3.08Å; S92-V124 PolarHBondContact O-N 3.38Å
93E85.9Confident85.3Confident104 Ų10420.6 Ų20.649%0.48612%0.116SC..THydrogen-bonded Turntrans-62.3-30.7175.2-174.2174.6-179.100113.8A30 R68 G95 P123A30-E93 HydrophobicContact CB-CB 4.38Å; R68-E93 PolarHBondContact O-N 3.06Å; E93-G95 PolarHBondContact O-N 3.04Å; E93-P123 VanDerWaalsContact O-CA 3.26Å; E93-P123 WeakPolarHBondContact O-CA 3.47Å; E93-P123 VanDerWaalsContact O-CB 3.31Å; E93-P123 WeakPolarHBondContact O-CB 3.38Å
94N86.6Confident86.9Confident86 Ų8618.7 Ų18.746%0.4610%0.095SC..THydrogen-bonded Turntrans-84.921.2178.875.8-37.8000114N67 S92 T96N67-N94 PolarHBondContact ND2-ND2 3.37Å; N67-N94 VanDerWaalsContact ND2-ND2 3.19Å; N67-N94 PolarHBondContact ND2-OD1 2.93Å; S92-N94 VanDerWaalsContact C-N 3.28Å; S92-N94 WeakPolarHBondContact CB-OD1 3.31Å; S92-N94 PolarHBondContact O-N 3.11Å; N94-T96 PolarHBondContact ND2-OG1 3.06Å; N94-T96 PolarHBondContact O-N 3.14Å; N94-T96 VanDerWaalsContact OD1-CB 3.23Å; N94-T96 WeakPolarHBondContact OD1-CB 3.29Å; N94-T96 PolarHBondContact OD1-N 3.33Å; N94-T96 PolarHBondContact OD1-OG1 3.32Å
95G87.6Confident88.3Confident0 Ų018.1 Ų18.10%09%0.09CC..SBendtrans73.5-1.7-176.800000115.7S92 E93 G122S92-G95 PolarHBondContact O-N 3.38Å; E93-G95 PolarHBondContact O-N 3.04Å; G95-G122 WeakPolarHBondContact CA-O 3.28Å
96T91.1Very high89.2Confident4 Ų420.7 Ų20.73%0.02510%0.104CC..  trans-74.7127.8177.3-62.50000111.9S92 N94 Q116 C117S92-T96 WeakPolarHBondContact CB-O 3.28Å; S92-T96 PolarHBondContact N-O 2.91Å; S92-T96 PolarHBondContact OG-O 3.49Å; S92-T96 VanDerWaalsContact OG-O 3.08Å; N94-T96 PolarHBondContact ND2-OG1 3.06Å; N94-T96 PolarHBondContact O-N 3.14Å; N94-T96 VanDerWaalsContact OD1-CB 3.23Å; N94-T96 WeakPolarHBondContact OD1-CB 3.29Å; N94-T96 PolarHBondContact OD1-N 3.33Å; N94-T96 PolarHBondContact OD1-OG1 3.32Å; T96-Q116 HydrophobicContact CG2-CG 3.36Å; T96-C117 CarbonylContact C-O 3.57Å; T96-C117 WeakPolarHBondContact CA-O 3.24Å
97L92.4Very high89Confident1 Ų125.1 Ų25.11%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-94.5131.7161.9-73.2162.8000109.9V89 Q116 C117 V124 L127 W149 F154V89-L97 HydrophobicContact CG1-CD2 4.44Å; L97-Q116 CarbonylContact O-C 3.56Å; L97-Q116 WeakPolarHBondContact O-CA 3.43Å; L97-C117 PolarHBondContact N-O 2.92Å; L97-C117 PolarHBondContact O-N 3.44Å; L97-V124 HydrophobicContact CD2-CB 4.49Å; L97-V124 HydrophobicContact CD2-CG1 3.92Å; L97-V124 HydrophobicContact CD2-CG2 4.29Å; L97-V124 HydrophobicContact CG-CG2 4.17Å; L97-L127 HydrophobicContact CD2-CD2 3.72Å; L97-W149 HydrophobicContact CD1-CD2 4.1Å; L97-W149 HydrophobicContact CD1-CH2 4.1Å; L97-W149 HydrophobicContact CD1-CZ2 3.31Å; L97-W149 VanDerWaalsContact CD1-NE1 3.31Å; L97-F154 HydrophobicContact CB-CZ 3.85Å
98T91.9Very high87.9Confident5 Ų528.6 Ų28.63%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-128.3129.5176.4-48.80000110.4V89 G90 Y100 V113 Q116V89-T98 WeakPolarHBondContact CA-O 3.44Å; G90-T98 PolarHBondContact N-O 3.29Å; G90-T98 PolarHBondContact O-N 2.94Å; T98-Y100 WeakPolarHBondContact CB-OH 3.46Å; T98-Y100 HydrophobicContact CG2-CD1 4.28Å; T98-Y100 HydrophobicContact CG2-CD2 4.29Å; T98-Y100 HydrophobicContact CG2-CE1 3.68Å; T98-Y100 HydrophobicContact CG2-CE2 3.68Å; T98-Y100 WeakPolarHBondContact CG2-OH 3.31Å; T98-Y100 WeakPolarHBondContact O-CD2 3.41Å; T98-Y100 WeakPolarHBondContact O-CE2 3.13Å; T98-V113 HydrophobicContact CG2-CG1 3.68Å; T98-V113 HydrophobicContact CG2-CG2 4.33Å; T98-Q116 HydrophobicContact CG2-CB 4.42Å
99V91.6Very high86.6Confident7 Ų730.3 Ų30.34%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-101.4127.1176-175.80000108.6R87 V89 V114 G115 L151 F154R87-V99 HydrophobicContact CB-CG1 4.11Å; R87-V99 HydrophobicContact CG-CG1 4.45Å; V89-V99 HydrophobicContact CG1-CG2 4.22Å; V89-V99 HydrophobicContact CG2-CG1 4.37Å; V89-V99 HydrophobicContact CG2-CG2 4.17Å; V99-V114 HydrophobicContact CG1-CB 4.27Å; V99-V114 PolarHBondContact O-N 3.48Å; V99-G115 PolarHBondContact N-O 2.83Å; V99-G115 PolarHBondContact O-N 3.14Å; V99-L151 HydrophobicContact CG1-CD2 4.3Å; V99-L151 HydrophobicContact CG2-CD2 4.01Å; V99-F154 HydrophobicContact CG2-CD2 4.13Å; V99-F154 HydrophobicContact CG2-CE1 4.09Å; V99-F154 HydrophobicContact CG2-CE2 3.68Å; V99-F154 HydrophobicContact CG2-CZ 3.66Å
100Y90.6Very high84.9Confident11 Ų1135.1 Ų35.14%0.04322%0.222CC..EExtended strand (participates in β ladder)trans-117.7151.2-176.2-55.2-91.5000111.3I43 L63 T65 L88 T98 A112 V113I43-Y100 HydrophobicContact CD1-CD1 4.15Å; I43-Y100 HydrophobicContact CD1-CD2 3.71Å; I43-Y100 HydrophobicContact CD1-CE1 3.81Å; I43-Y100 HydrophobicContact CD1-CE2 3.34Å; I43-Y100 HydrophobicContact CD1-CG 4.1Å; L63-Y100 HydrophobicContact CD2-CD1 3.47Å; L63-Y100 VanDerWaalsContact CD2-CD1 3.47Å; L63-Y100 HydrophobicContact CD2-CE1 3.57Å; T65-Y100 HydrophobicContact CG2-CE1 4.27Å; L88-Y100 PolarHBondContact N-O 2.95Å; L88-Y100 PolarHBondContact O-N 2.73Å; T98-Y100 WeakPolarHBondContact CB-OH 3.46Å; T98-Y100 HydrophobicContact CG2-CD1 4.28Å; T98-Y100 HydrophobicContact CG2-CD2 4.29Å; T98-Y100 HydrophobicContact CG2-CE1 3.68Å; T98-Y100 HydrophobicContact CG2-CE2 3.68Å; T98-Y100 WeakPolarHBondContact CG2-OH 3.31Å; T98-Y100 WeakPolarHBondContact O-CD2 3.41Å; T98-Y100 WeakPolarHBondContact O-CE2 3.13Å; Y100-A112 CarbonylContact C-O 3.55Å; Y100-A112 VanDerWaalsContact CA-O 3.22Å; Y100-A112 WeakPolarHBondContact CA-O 3.31Å; Y100-A112 WeakPolarHBondContact CB-O 3.3Å; Y100-V113 HydrophobicContact CD1-CG2 3.84Å; Y100-V113 HydrophobicContact CE1-CG2 3.77Å
101N89.6Confident83.8Confident29 Ų2943 Ų4316%0.15526%0.259CS..  trans-96.4112.1168-178.14.7000109.7E103 A104 I105 A112 V114N101-E103 VanDerWaalsContact C-N 3.26Å; N101-E103 PolarHBondContact O-N 3.03Å; N101-E103 PolarHBondContact OD1-N 2.8Å; N101-A104 HydrophobicContact CB-CB 4.07Å; N101-A104 PolarHBondContact O-N 2.88Å; N101-I105 PolarHBondContact O-N 3.09Å; N101-A112 PolarHBondContact N-O 2.68Å; N101-V114 HydrophobicContact CB-CG2 3.77Å
102P88.1Confident83.1Confident2 Ų243.1 Ų43.11%0.01326%0.26CS..Hα-helixtrans-57.2-36.3-179.4-24.934.5000113.9I45 W74 G86 L88 I105 I106I45-P102 HydrophobicContact CD1-CB 3.93Å; W74-P102 HydrophobicContact CH2-CB 4.13Å; W74-P102 HydrophobicContact CZ2-CB 3.48Å; W74-P102 VanDerWaalsContact CZ2-CB 3.48Å; W74-P102 HydrophobicContact CZ2-CG 3.6Å; G86-P102 WeakPolarHBondContact O-CD 3.27Å; L88-P102 HydrophobicContact CB-CG 4.13Å; P102-I105 WeakPolarHBondContact O-CB 3.46Å; P102-I105 PolarHBondContact O-N 3.47Å; P102-I106 WeakPolarHBondContact O-CG1 3.36Å; P102-I106 PolarHBondContact O-N 3.35Å; P102-I106 VanDerWaalsContact O-N 3.14Å
103E84.3Confident82.9Confident69 Ų6946.4 Ų46.432%0.32228%0.28SS..Hα-helixtrans-69.8-40.4-177.7-67175.9155.800111.7T84 G85 N101 I105 I106 S107T84-E103 VanDerWaalsContact CA-OE1 3.29Å; T84-E103 WeakPolarHBondContact CA-OE1 3.45Å; T84-E103 VanDerWaalsContact CA-OE2 3.27Å; T84-E103 WeakPolarHBondContact CA-OE2 3.31Å; T84-E103 WeakPolarHBondContact CB-OE2 3.45Å; T84-E103 WeakPolarHBondContact CG2-OE2 3.2Å; G85-E103 PolarHBondContact N-OE1 3.18Å; N101-E103 VanDerWaalsContact C-N 3.26Å; N101-E103 PolarHBondContact O-N 3.03Å; N101-E103 PolarHBondContact OD1-N 2.8Å; E103-I105 PolarHBondContact O-N 3.25Å; E103-I106 CarbonylContact O-C 3.6Å; E103-I106 PolarHBondContact O-N 3.44Å; E103-S107 WeakPolarHBondContact O-CB 3.5Å; E103-S107 PolarHBondContact O-N 3.01Å; E103-S107 PolarHBondContact O-OG 3.41Å
104A84.6Confident82.9Confident13 Ų1345.5 Ų45.511%0.10728%0.282CS..Hα-helixtrans-65.5-26.7174.200000112.2N101 G109 A112N101-A104 HydrophobicContact CB-CB 4.07Å; N101-A104 PolarHBondContact O-N 2.88Å; A104-G109 PolarHBondContact O-N 3.2Å; A104-A112 HydrophobicContact CB-CB 4.38Å
105I86.1Confident82.8Confident7 Ų742.4 Ų42.44%0.03627%0.27CS..Hα-helixtrans-70-37.1170.7-64.2174.3000111I43 I45 G61 L63 N101 P102 E103 A112I43-I105 HydrophobicContact CG2-CD1 4.15Å; I45-I105 HydrophobicContact CD1-CB 3.88Å; I45-I105 HydrophobicContact CD1-CD1 4.26Å; I45-I105 HydrophobicContact CD1-CG2 3.81Å; I45-I105 HydrophobicContact CG1-CG2 4.14Å; G61-I105 WeakPolarHBondContact CA-O 3.47Å; L63-I105 HydrophobicContact CB-CD1 4.2Å; L63-I105 HydrophobicContact CB-CG1 4.06Å; L63-I105 HydrophobicContact CB-CG2 4.16Å; L63-I105 HydrophobicContact CD2-CD1 3.97Å; L63-I105 HydrophobicContact CD2-CG1 4.07Å; N101-I105 PolarHBondContact O-N 3.09Å; P102-I105 WeakPolarHBondContact O-CB 3.46Å; P102-I105 PolarHBondContact O-N 3.47Å; E103-I105 PolarHBondContact O-N 3.25Å; I105-A112 HydrophobicContact CG1-CB 3.9Å
106I85.9Confident82.8Confident56 Ų5648.1 Ų48.129%0.28730%0.296SS..Hα-helixtrans-75.6-36.4177.2-63.6164.6000111.6Y23 I45 K60 P102 E103 S108Y23-I106 HydrophobicContact CD2-CD1 4.5Å; Y23-I106 HydrophobicContact CE2-CD1 3.95Å; I45-I106 HydrophobicContact CD1-CG1 4.35Å; I45-I106 HydrophobicContact CG2-CD1 4.27Å; I45-I106 HydrophobicContact CG2-CG1 4.47Å; K60-I106 HydrophobicContact CB-CG1 4.18Å; K60-I106 HydrophobicContact CB-CG2 4.27Å; P102-I106 WeakPolarHBondContact O-CG1 3.36Å; P102-I106 PolarHBondContact O-N 3.35Å; P102-I106 VanDerWaalsContact O-N 3.14Å; E103-I106 CarbonylContact O-C 3.6Å; E103-I106 PolarHBondContact O-N 3.44Å; I106-S108 PolarHBondContact O-N 2.73Å
107S80.9Confident82.7Confident93 Ų9348.5 Ų48.565%0.6530%0.299SS*.THydrogen-bonded Turntrans-92.317.1-17481.80000114.9E103E103-S107 WeakPolarHBondContact O-CB 3.5Å; E103-S107 PolarHBondContact O-N 3.01Å; E103-S107 PolarHBondContact O-OG 3.41Å
108S67.5Low82.4Confident110 Ų11054.4 Ų54.477%0.76933%0.331SS*.THydrogen-bonded Turntrans74.458.6179.1-153.10000117.2I106 A110I106-S108 PolarHBondContact O-N 2.73Å; S108-A110 PolarHBondContact O-N 3.04Å
109G63.1Low82.2Confident36 Ų3658.7 Ų58.737%0.37135%0.349SS..SBend85.7-23.9129.200000119.4A104 E111 A112A104-G109 PolarHBondContact O-N 3.2Å; G109-E111 PolarHBondContact O-N 3.3Å; G109-A112 PolarHBondContact O-N 3.31Å
110A58.1Low82.1Confident102 Ų10258.7 Ų58.784%0.84335%0.349SS*.THydrogen-bonded Turntrans-59-39.5-166.800000115.3S108S108-A110 PolarHBondContact O-N 3.04Å
111E69.1Low82Confident164 Ų16462.9 Ų62.977%0.76638%0.375SS*.THydrogen-bonded Turntrans-13049.8175.6-65.2-164.4153.800111.2G109 V113G109-E111 PolarHBondContact O-N 3.3Å; E111-V113 VanDerWaalsContact C-N 3.32Å; E111-V113 PolarHBondContact O-N 2.99Å
112A79.8Confident81.9Confident4 Ų462 Ų623%0.03337%0.374CS..  trans-71.2-22.2-178.600000114.6L63 Y100 N101 A104 I105 G109L63-A112 HydrophobicContact CD1-CB 3.85Å; L63-A112 HydrophobicContact CD2-CB 3.87Å; L63-A112 HydrophobicContact CG-CB 4.46Å; Y100-A112 CarbonylContact C-O 3.55Å; Y100-A112 VanDerWaalsContact CA-O 3.22Å; Y100-A112 WeakPolarHBondContact CA-O 3.31Å; Y100-A112 WeakPolarHBondContact CB-O 3.3Å; N101-A112 PolarHBondContact N-O 2.68Å; A104-A112 HydrophobicContact CB-CB 4.38Å; I105-A112 HydrophobicContact CG1-CB 3.9Å; G109-A112 PolarHBondContact O-N 3.31Å
113V86.1Confident82Confident71 Ų7163 Ų6343%0.4338%0.38SS..EExtended strand (participates in β ladder)trans-102.9120.6176.8178.90000109.4T98 Y100 E111T98-V113 HydrophobicContact CG2-CG1 3.68Å; T98-V113 HydrophobicContact CG2-CG2 4.33Å; Y100-V113 HydrophobicContact CD1-CG2 3.84Å; Y100-V113 HydrophobicContact CE1-CG2 3.77Å; E111-V113 VanDerWaalsContact C-N 3.32Å; E111-V113 PolarHBondContact O-N 2.99Å
114V85.3Confident82.5Confident86 Ų8659.7 Ų59.752%0.52136%0.364SS..EExtended strand (participates in β ladder)trans-91.8-30-179-177.30000111.5V99 N101V99-V114 HydrophobicContact CG1-CB 4.27Å; V99-V114 PolarHBondContact O-N 3.48Å; N101-V114 HydrophobicContact CB-CG2 3.77Å
115G84.6Confident82.7Confident21 Ų2162.9 Ų62.922%0.21637%0.374CS..EExtended strand (participates in β ladder)trans-173.1154.4178.100000112.6V99V99-G115 PolarHBondContact N-O 2.83Å; V99-G115 PolarHBondContact O-N 3.14Å
116Q88.6Confident83Confident119 Ų11962.8 Ų62.856%0.55637%0.373SS*.EExtended strand (participates in β ladder)trans-141.2141.7-179.3-173.9177.5-3600109.5T96 L97 T98T96-Q116 HydrophobicContact CG2-CG 3.36Å; L97-Q116 CarbonylContact O-C 3.56Å; L97-Q116 WeakPolarHBondContact O-CA 3.43Å; T98-Q116 HydrophobicContact CG2-CB 4.42Å
117C87.8Confident83.4Confident12 Ų1261 Ų618%0.08136%0.364CS..EExtended strand (participates in β ladder)trans-148.4143177.7-163.40000111.8T96 L97 W149 F154T96-C117 CarbonylContact C-O 3.57Å; T96-C117 WeakPolarHBondContact CA-O 3.24Å; L97-C117 PolarHBondContact N-O 2.92Å; L97-C117 PolarHBondContact O-N 3.44Å; C117-W149 HydrophobicContact CB-CH2 3.97Å; C117-W149 HydrophobicContact CB-CZ3 3.78Å; C117-F154 HydrophobicContact CB-CD1 3.97Å; C117-F154 HydrophobicContact CB-CE1 3.56Å; C117-F154 HydrophobicContact CB-CZ 4.27Å
118D87.8Confident84Confident125 Ų12557.1 Ų57.167%0.66834%0.337SS*.  trans-122.826.8-165.658.1-23.5000112.6H120D118-H120 PolarHBondContact O-N 3.17Å
119K86.9Confident85.3Confident95 Ų9554.4 Ų54.441%0.41331%0.311SS..  trans-79.2-10.7-174-74.9178.5174.1-175.10116.2Y147 W149 S155 P157K119-Y147 HydrophobicContact CB-CE2 4.21Å; K119-Y147 WeakPolarHBondContact O-CE2 3.34Å; K119-W149 HydrophobicContact CB-CH2 4.18Å; K119-W149 HydrophobicContact CD-CH2 4.33Å; K119-S155 PolarHBondContact NZ-O 2.64Å; K119-P157 HydrophobicContact CD-CG 3.82Å
120H89.8Confident86.7Confident8 Ų852.7 Ų52.74%0.03729%0.293CS..  trans-83.4137.9173.2-73.5-74.7000110D118 G122 V124 S139 A141 Y147D118-H120 PolarHBondContact O-N 3.17Å; H120-G122 VanDerWaalsContact C-N 3.29Å; H120-G122 PolarHBondContact O-N 3.07Å; H120-V124 HydrophobicContact CB-CG2 4.27Å; H120-V124 VanDerWaalsContact CD2-CG2 3.45Å; H120-V124 WeakPolarHBondContact CD2-CG2 3.48Å; H120-S139 PolarHBondContact CE1-OG 3.37Å; H120-S139 PolarHBondContact NE2-OG 3.48Å; H120-A141 HydrophobicContact CB-CB 3.93Å; H120-A141 VanDerWaalsContact ND1-CB 3.26Å; H120-A141 WeakPolarHBondContact ND1-CB 3.48Å; H120-Y147 AromaticContact CE1-CD2 3.33Å; H120-Y147 WeakPolarHBondContact CE1-CD2 3.18Å; H120-Y147 AromaticContact CG-CD2 4Å; H120-Y147 AromaticContact ND1-CD2 3.5Å; H120-Y147 AromaticContact ND1-CE2 3.71Å; H120-Y147 AromaticContact NE2-CD2 3.68Å
121T87.8Confident88.1Confident99 Ų9950.7 Ų50.761%0.60727%0.271SS*.SBendtrans-77.4-12.2-179.554.70000114.1E145T121-E145 PolarHBondContact N-OE2 3.39Å; T121-E145 VanDerWaalsContact OG1-CD 3.28Å; T121-E145 PolarHBondContact OG1-OE1 3.28Å; T121-E145 PolarHBondContact OG1-OE2 2.74Å
122G88.1Confident89.1Confident11 Ų1147.8 Ų47.811%0.11326%0.256CS..SBendtrans-152.9-175.9179.700000113.2G95 H120 V124G95-G122 WeakPolarHBondContact CA-O 3.28Å; H120-G122 VanDerWaalsContact C-N 3.29Å; H120-G122 PolarHBondContact O-N 3.07Å; G122-V124 PolarHBondContact O-N 3.22Å
123P90.9Very high89.5Confident22 Ų2251 Ų5114%0.14327%0.271CS..  trans-56.4135.2-170.920.7-33.1000113.1E93 R125 A141 N142E93-P123 VanDerWaalsContact O-CA 3.26Å; E93-P123 WeakPolarHBondContact O-CA 3.47Å; E93-P123 VanDerWaalsContact O-CB 3.31Å; E93-P123 WeakPolarHBondContact O-CB 3.38Å; P123-R125 PolarHBondContact O-N 3.23Å; P123-R125 VanDerWaalsContact O-N 3.15Å; P123-A141 WeakPolarHBondContact O-CA 3.21Å; P123-A141 WeakPolarHBondContact O-CB 3.34Å; P123-N142 WeakPolarHBondContact CG-OD1 3.39Å
124V93.2Very high89.6Confident0 Ų049.5 Ų49.50%026%0.264CS..  trans-82.397175.6-1750000109.3H70 S92 L97 H120 G122 L127H70-V124 VanDerWaalsContact CB-O 3.22Å; H70-V124 WeakPolarHBondContact CB-O 3.47Å; S92-V124 PolarHBondContact O-N 3.38Å; L97-V124 HydrophobicContact CD2-CB 4.49Å; L97-V124 HydrophobicContact CD2-CG1 3.92Å; L97-V124 HydrophobicContact CD2-CG2 4.29Å; L97-V124 HydrophobicContact CG-CG2 4.17Å; H120-V124 HydrophobicContact CB-CG2 4.27Å; H120-V124 VanDerWaalsContact CD2-CG2 3.45Å; H120-V124 WeakPolarHBondContact CD2-CG2 3.48Å; G122-V124 PolarHBondContact O-N 3.22Å; V124-L127 HydrophobicContact CG1-CD2 4.01Å; V124-L127 HydrophobicContact CG1-CG 4.29Å
125R89.9Confident89.8Confident80 Ų8047.1 Ų47.130%0.30225%0.248SC..  trans-83.8-32.8-176.5-58.8-177.6-176.5-72.3-1.3112.5H70 P123 G140 N142 D169H70-R125 PolarHBondContact NE2-NH1 2.99Å; H70-R125 VanDerWaalsContact NE2-NH1 3.12Å; P123-R125 PolarHBondContact O-N 3.23Å; P123-R125 VanDerWaalsContact O-N 3.15Å; R125-G140 PolarHBondContact N-O 3.05Å; R125-G140 VanDerWaalsContact N-O 3.12Å; R125-N142 PolarHBondContact NE-OD1 2.81Å; R125-D169 IonicContact NE-OD2 3.57Å
126A91.4Very high90.1Very high4 Ų447.7 Ų47.73%0.03325%0.246CC..EExtended strand (participates in β ladder)trans-120.1134.4-171.700000112.6S139 G140 I170 V173A126-S139 CarbonylContact O-C 3.51Å; A126-S139 VanDerWaalsContact O-CA 3.3Å; A126-S139 WeakPolarHBondContact O-CA 3.22Å; A126-G140 PolarHBondContact N-O 3.21Å; A126-G140 VanDerWaalsContact N-O 3.11Å; A126-G140 PolarHBondContact O-N 2.76Å; A126-I170 HydrophobicContact CB-CG2 4.47Å; A126-V173 HydrophobicContact CB-CB 4.01Å; A126-V173 HydrophobicContact CB-CG2 3.78Å
127L94.5Very high90.4Very high18 Ų1842 Ų429%0.09422%0.219CC..EExtended strand (participates in β ladder)trans-140.7134.5172.2-68.9176.5000110.4V73 L97 V124 L137 A138V73-L127 HydrophobicContact CB-CB 4.39Å; V73-L127 HydrophobicContact CG2-CB 3.54Å; V73-L127 HydrophobicContact CG2-CD1 4.44Å; L97-L127 HydrophobicContact CD2-CD2 3.72Å; V124-L127 HydrophobicContact CG1-CD2 4.01Å; V124-L127 HydrophobicContact CG1-CG 4.29Å; L127-L137 HydrophobicContact CD2-CD2 4.25Å; L127-A138 WeakPolarHBondContact CA-O 3.39Å
128D94.6Very high90.7Very high13 Ų1341.4 Ų41.47%0.0722%0.215CC..EExtended strand (participates in β ladder)trans-152.5152.5165.3-169.410.2000109.4A138 V173 S174 W175 R177D128-A138 PolarHBondContact N-O 2.95Å; D128-A138 VanDerWaalsContact N-O 3.13Å; D128-A138 PolarHBondContact O-N 3.22Å; D128-V173 WeakPolarHBondContact CB-O 3.39Å; D128-S174 WeakPolarHBondContact OD2-CA 3.4Å; D128-S174 WeakPolarHBondContact OD2-CB 3.47Å; D128-S174 PolarHBondContact OD2-OG 3.33Å; D128-W175 PolarHBondContact O-NE1 2.95Å; D128-W175 PolarHBondContact OD2-N 3.45Å; D128-R177 IonicContact OD1-CZ 3.1Å; D128-R177 IonicContact OD1-NH1 2.76Å; D128-R177 PolarHBondContact OD1-NH1 3.41Å; D128-R177 IonicContact OD1-NH2 2.72Å; D128-R177 PolarHBondContact OD1-NH2 3.19Å; D128-R177 IonicContact OD2-CZ 3.06Å; D128-R177 IonicContact OD2-NH1 3.02Å; D128-R177 IonicContact OD2-NH2 2.79Å; D128-R177 PolarHBondContact OD2-NH2 3.19Å
129F93.3Very high91.1Very high53 Ų5335.5 Ų35.523%0.23218%0.184CC..EExtended strand (participates in β ladder)trans-111.9152.4-17770.8-82.2000111.9V73 V75 P131 L137 R177V73-F129 HydrophobicContact CG1-CD1 3.64Å; V73-F129 HydrophobicContact CG1-CE1 4.29Å; V75-F129 HydrophobicContact CG1-CB 3.98Å; V75-F129 HydrophobicContact CG1-CD2 4.02Å; V75-F129 HydrophobicContact CG1-CG 4.08Å; V75-F129 HydrophobicContact CG2-CB 3.85Å; V75-F129 HydrophobicContact CG2-CD1 4.4Å; V75-F129 HydrophobicContact CG2-CG 4.13Å; F129-P131 WeakPolarHBondContact O-CD 3.41Å; F129-L137 HydrophobicContact CB-CD1 4.28Å; F129-R177 PolarHBondContact O-NH1 2.89Å
130N92.5Very high91.4Very high0 Ų031 Ų310%016%0.164CC..  trans-74.3119.2176.9-173.4-22.9000109.6F132 Q133 L136 W175 Q180N130-F132 PolarHBondContact O-N 3.32Å; N130-F132 WeakPolarHBondContact OD1-CB 3.47Å; N130-F132 PolarHBondContact OD1-N 2.99Å; N130-Q133 HydrophobicContact CB-CB 4.49Å; N130-Q133 CarbonylContact O-C 3.5Å; N130-Q133 PolarHBondContact OD1-N 3.49Å; N130-L136 HydrophobicContact CB-CB 3.89Å; N130-L136 PolarHBondContact N-O 2.92Å; N130-W175 HydrophobicContact CB-CD2 3.75Å; N130-W175 HydrophobicContact CB-CE3 3.91Å; N130-W175 HydrophobicContact CB-CG 4.32Å; N130-W175 HydrophobicContact CB-CH2 3.95Å; N130-W175 HydrophobicContact CB-CZ2 3.83Å; N130-W175 HydrophobicContact CB-CZ3 4.01Å; N130-W175 WeakPolarHBondContact ND2-CH2 3.49Å; N130-W175 WeakPolarHBondContact ND2-CZ3 3.49Å; N130-Q180 PolarHBondContact ND2-O 3.13Å
131P88.5Confident91.5Very high59 Ų5930.6 Ų30.638%0.38316%0.162SC..SBendtrans-71.3-16.9-178.129.5-34.7000113.4F129F129-P131 WeakPolarHBondContact O-CD 3.41Å
132F89.8Confident91.6Very high103 Ų10327.5 Ų27.545%0.45214%0.142SC..SBendtrans-94.1-28.7179.1-61.1-82.8000113.5N130 R177 Q178 Q180N130-F132 PolarHBondContact O-N 3.32Å; N130-F132 WeakPolarHBondContact OD1-CB 3.47Å; N130-F132 PolarHBondContact OD1-N 2.99Å; F132-R177 WeakPolarHBondContact CZ-O 3.22Å; F132-Q178 VanDerWaalsContact CZ-C 3.48Å; F132-Q180 HydrophobicContact CB-CB 3.7Å; F132-Q180 HydrophobicContact CD2-CB 3.72Å; F132-Q180 HydrophobicContact CG-CB 3.8Å
133Q89.4Confident91.6Very high73 Ų7330.9 Ų30.934%0.34116%0.157SC..  trans-131.984.9-176.4-68.2-173.6-38.600107.4N130 N135 L136N130-Q133 HydrophobicContact CB-CB 4.49Å; N130-Q133 CarbonylContact O-C 3.5Å; N130-Q133 PolarHBondContact OD1-N 3.49Å; Q133-N135 PolarHBondContact O-N 3.09Å; Q133-L136 HydrophobicContact CB-CD1 4.24Å; Q133-L136 HydrophobicContact CB-CG 4.25Å; Q133-L136 PolarHBondContact O-N 3.13Å; Q133-L136 VanDerWaalsContact OE1-CD1 3.31Å
134S86.5Confident91.6Very high39 Ų3930 Ų3027%0.27315%0.152SC..THydrogen-bonded Turntrans-67.6-3.8-170.861.50000114.6V75 N76V75-S134 WeakPolarHBondContact CG1-O 3.32Å; N76-S134 WeakPolarHBondContact O-CB 3.48Å; N76-S134 PolarHBondContact O-OG 3.15Å
135N89.3Confident91.5Very high36 Ų3630.8 Ų30.819%0.19316%0.156CC..THydrogen-bonded Turntrans-78.7-17.1166.471.1-63.9000113.3F77 Q133 D150 L151 N152F77-N135 HydrophobicContact CD2-CB 3.89Å; F77-N135 HydrophobicContact CE2-CB 3.61Å; Q133-N135 PolarHBondContact O-N 3.09Å; N135-D150 WeakPolarHBondContact CB-OD1 3.46Å; N135-D150 VanDerWaalsContact ND2-CG 3.32Å; N135-D150 PolarHBondContact ND2-OD1 3.41Å; N135-D150 CarbonylContact O-C 3.26Å; N135-D150 WeakPolarHBondContact O-CA 3.38Å; N135-L151 WeakPolarHBondContact O-CG 3.48Å; N135-L151 PolarHBondContact O-N 2.89Å; N135-N152 WeakPolarHBondContact CB-ND2 3.5Å
136L92.6Very high91.6Very high32 Ų3227.4 Ų27.417%0.16814%0.143CC..EExtended strand (participates in β ladder)trans-96.1121.1-178-63.4-174.6000112.7N130 Q133 I148 W149 D150 W175N130-L136 HydrophobicContact CB-CB 3.89Å; N130-L136 PolarHBondContact N-O 2.92Å; Q133-L136 HydrophobicContact CB-CD1 4.24Å; Q133-L136 HydrophobicContact CB-CG 4.25Å; Q133-L136 PolarHBondContact O-N 3.13Å; Q133-L136 VanDerWaalsContact OE1-CD1 3.31Å; L136-I148 HydrophobicContact CD2-CG2 4.46Å; L136-W149 WeakPolarHBondContact CA-O 3.45Å; L136-D150 HydrophobicContact CD2-CB 4.34Å; L136-W175 HydrophobicContact CB-CH2 4.42Å; L136-W175 HydrophobicContact CB-CZ2 4.16Å; L136-W175 HydrophobicContact CD1-CH2 4.21Å
137L93.9Very high91.8Very high0 Ų029.3 Ų29.30%015%0.15CC..EExtended strand (participates in β ladder)trans-114139.8172.9179.778.1000109.6V75 V89 L127 F129 I148 W149V75-L137 HydrophobicContact CG2-CD1 4.4Å; V89-L137 HydrophobicContact CB-CD2 4.21Å; V89-L137 HydrophobicContact CG1-CD2 3.71Å; V89-L137 HydrophobicContact CG2-CD2 4.2Å; L127-L137 HydrophobicContact CD2-CD2 4.25Å; F129-L137 HydrophobicContact CB-CD1 4.28Å; L137-I148 CarbonylContact O-C 3.59Å; L137-I148 WeakPolarHBondContact O-CA 3.27Å; L137-W149 HydrophobicContact CB-CB 4.39Å; L137-W149 PolarHBondContact N-O 2.99Å; L137-W149 PolarHBondContact O-N 2.94Å
138A94.6Very high91.8Very high0 Ų028.9 Ų28.90%015%0.148CC..EExtended strand (participates in β ladder)trans-108.6139.216700000110.4L127 D128 I148 V173 W175 L183L127-A138 WeakPolarHBondContact CA-O 3.39Å; D128-A138 PolarHBondContact N-O 2.95Å; D128-A138 VanDerWaalsContact N-O 3.13Å; D128-A138 PolarHBondContact O-N 3.22Å; A138-I148 HydrophobicContact CB-CD1 3.61Å; A138-V173 HydrophobicContact CB-CG1 3.71Å; A138-W175 HydrophobicContact CB-CZ2 4.48Å; A138-W175 VanDerWaalsContact CB-NE1 3.33Å; A138-L183 HydrophobicContact CB-CD1 3.78Å; A138-L183 HydrophobicContact CB-CD2 4.09Å
139S94.9Very high91.7Very high0 Ų028.3 Ų28.30%014%0.144CC..EExtended strand (participates in β ladder)trans-131.4135177.364.50000111.2H120 A126 I146 Y147 W149H120-S139 PolarHBondContact CE1-OG 3.37Å; H120-S139 PolarHBondContact NE2-OG 3.48Å; A126-S139 CarbonylContact O-C 3.51Å; A126-S139 VanDerWaalsContact O-CA 3.3Å; A126-S139 WeakPolarHBondContact O-CA 3.22Å; S139-I146 WeakPolarHBondContact O-CA 3.31Å; S139-Y147 PolarHBondContact N-O 3.14Å; S139-Y147 PolarHBondContact O-N 3.26Å; S139-Y147 PolarHBondContact OG-O 3.39Å; S139-W149 PolarHBondContact OG-NE1 3Å
140G93.2Very high91.6Very high0 Ų028.2 Ų28.20%015%0.147CC..EExtended strand (participates in β ladder)trans-116.5137.5174.100000112.1R125 A126 E145R125-G140 PolarHBondContact N-O 3.05Å; R125-G140 VanDerWaalsContact N-O 3.12Å; A126-G140 PolarHBondContact N-O 3.21Å; A126-G140 VanDerWaalsContact N-O 3.11Å; A126-G140 PolarHBondContact O-N 2.76Å; G140-E145 WeakPolarHBondContact CA-O 3.27Å
141A92.5Very high91.3Very high0 Ų029.3 Ų29.30%015%0.152CC..  trans-132.4-158.5178.700000111.8H120 P123 E145 I170H120-A141 HydrophobicContact CB-CB 3.93Å; H120-A141 VanDerWaalsContact ND1-CB 3.26Å; H120-A141 WeakPolarHBondContact ND1-CB 3.48Å; P123-A141 WeakPolarHBondContact O-CA 3.21Å; P123-A141 WeakPolarHBondContact O-CB 3.34Å; A141-E145 PolarHBondContact N-O 2.76Å; A141-I170 WeakPolarHBondContact O-CB 3.28Å; A141-I170 PolarHBondContact O-N 2.98Å
142N90.5Very high91.3Very high34 Ų3431.9 Ų31.918%0.18216%0.163CC..SBendtrans-67.5173.4173.6-80.750.2000112.4P123 R125 S144 E145 D169P123-N142 WeakPolarHBondContact CG-OD1 3.39Å; R125-N142 PolarHBondContact NE-OD1 2.81Å; N142-S144 PolarHBondContact O-N 3.47Å; N142-E145 WeakPolarHBondContact O-CB 3.23Å; N142-E145 WeakPolarHBondContact O-CG 3.46Å; N142-E145 PolarHBondContact O-N 3.5Å; N142-D169 WeakPolarHBondContact CA-OD1 3.46Å; N142-D169 WeakPolarHBondContact CB-OD1 3.34Å; N142-D169 VanDerWaalsContact CG-OD2 3.23Å; N142-D169 PolarHBondContact ND2-OD1 3.48Å; N142-D169 PolarHBondContact ND2-OD2 3.36Å; N142-D169 PolarHBondContact OD1-OD2 3.44Å
143D88.6Confident91.1Very high82 Ų8230.4 Ų30.444%0.43916%0.16SC..THydrogen-bonded Turntrans51.134.2175.6-79.57.7000115E145 K163 V167D143-E145 HydrophobicContact CB-CG 4.43Å; D143-E145 PolarHBondContact O-N 2.85Å; D143-K163 VanDerWaalsContact O-CD 3.27Å; D143-K163 WeakPolarHBondContact O-CD 3.32Å; D143-K163 VanDerWaalsContact O-CE 3.28Å; D143-K163 WeakPolarHBondContact O-CE 3.41Å; D143-K163 PolarHBondContact O-NZ 2.91Å; D143-V167 HydrophobicContact CB-CG1 4.01Å
144S89.4Confident90.9Very high5 Ų528.3 Ų28.34%0.03515%0.15CC..THydrogen-bonded Turntrans53.432.7-175.4-59.90000114.4N142 I146 T164 E168N142-S144 PolarHBondContact O-N 3.47Å; S144-I146 PolarHBondContact O-N 3.24Å; S144-T164 WeakPolarHBondContact CB-OG1 3.47Å; S144-T164 PolarHBondContact OG-OG1 2.98Å; S144-E168 VanDerWaalsContact CA-O 3.32Å; S144-E168 WeakPolarHBondContact CA-O 3.44Å; S144-E168 PolarHBondContact N-O 2.86Å; S144-E168 PolarHBondContact OG-N 3.04Å; S144-E168 VanDerWaalsContact OG-N 3.09Å; S144-E168 PolarHBondContact OG-O 3.44Å
145E91.3Very high90.6Very high16 Ų1630.2 Ų30.28%0.07516%0.163CC..  trans-81.9111.6179.9-66.5-176161.700111.3T121 G140 A141 N142 D143 K163T121-E145 PolarHBondContact N-OE2 3.39Å; T121-E145 VanDerWaalsContact OG1-CD 3.28Å; T121-E145 PolarHBondContact OG1-OE1 3.28Å; T121-E145 PolarHBondContact OG1-OE2 2.74Å; G140-E145 WeakPolarHBondContact CA-O 3.27Å; A141-E145 PolarHBondContact N-O 2.76Å; N142-E145 WeakPolarHBondContact O-CB 3.23Å; N142-E145 WeakPolarHBondContact O-CG 3.46Å; N142-E145 PolarHBondContact O-N 3.5Å; D143-E145 HydrophobicContact CB-CG 4.43Å; D143-E145 PolarHBondContact O-N 2.85Å; E145-K163 IonicContact OE1-NZ 2.95Å; E145-K163 PolarHBondContact OE1-NZ 3.48Å
146I93.4Very high90.4Very high8 Ų831.7 Ų31.74%0.04118%0.176CC..EExtended strand (participates in β ladder)trans-113.4123.1168.3-50168.8000108.4S139 S144 I148 P160 I170 L183 W195S139-I146 WeakPolarHBondContact O-CA 3.31Å; S144-I146 PolarHBondContact O-N 3.24Å; I146-I148 HydrophobicContact CG2-CD1 4.28Å; I146-P160 HydrophobicContact CB-CG 3.69Å; I146-P160 HydrophobicContact CD1-CG 3.97Å; I146-P160 HydrophobicContact CG1-CG 4.41Å; I146-P160 HydrophobicContact CG2-CG 3.76Å; I146-P160 VanDerWaalsContact O-CD 3.24Å; I146-P160 WeakPolarHBondContact O-CD 3.22Å; I146-I170 HydrophobicContact CD1-CD1 3.9Å; I146-I170 HydrophobicContact CG1-CD1 3.22Å; I146-L183 HydrophobicContact CG2-CD2 4.08Å; I146-W195 HydrophobicContact CD1-CD2 4.47Å; I146-W195 HydrophobicContact CD1-CH2 4.48Å; I146-W195 HydrophobicContact CD1-CZ2 3.61Å
147Y93.9Very high90.2Very high45 Ų4531.5 Ų31.518%0.17618%0.177CC..EExtended strand (participates in β ladder)trans-118.2137.4170.5-69.5-48.3000110.6K119 H120 S139 W149 P157 T159K119-Y147 HydrophobicContact CB-CE2 4.21Å; K119-Y147 WeakPolarHBondContact O-CE2 3.34Å; H120-Y147 AromaticContact CE1-CD2 3.33Å; H120-Y147 WeakPolarHBondContact CE1-CD2 3.18Å; H120-Y147 AromaticContact CG-CD2 4Å; H120-Y147 AromaticContact ND1-CD2 3.5Å; H120-Y147 AromaticContact ND1-CE2 3.71Å; H120-Y147 AromaticContact NE2-CD2 3.68Å; S139-Y147 PolarHBondContact N-O 3.14Å; S139-Y147 PolarHBondContact O-N 3.26Å; S139-Y147 PolarHBondContact OG-O 3.39Å; Y147-W149 AromaticContact CD2-CZ2 3.89Å; Y147-W149 HydrophobicContact CD2-CZ2 3.89Å; Y147-W149 HydrophobicContact CG-CZ2 4.08Å; Y147-P157 HydrophobicContact CD1-CB 4.03Å; Y147-P157 HydrophobicContact CD1-CG 4.12Å; Y147-P157 HydrophobicContact CG-CB 4.01Å; Y147-P157 HydrophobicContact CG-CG 4.21Å; Y147-T159 HydrophobicContact CD1-CG2 3.68Å; Y147-T159 HydrophobicContact CE1-CG2 3.55Å
148I94.5Very high90Very high8 Ų835.4 Ų35.44%0.04120%0.196CC..EExtended strand (participates in β ladder)trans-104.8123.3171.2-47.4-58.4000107.3L136 L137 A138 I146 P157 M158 W175 L183 L197L136-I148 HydrophobicContact CD2-CG2 4.46Å; L137-I148 CarbonylContact O-C 3.59Å; L137-I148 WeakPolarHBondContact O-CA 3.27Å; A138-I148 HydrophobicContact CB-CD1 3.61Å; I146-I148 HydrophobicContact CG2-CD1 4.28Å; I148-P157 CarbonylContact O-C 3.59Å; I148-P157 VanDerWaalsContact O-CA 3.3Å; I148-P157 WeakPolarHBondContact O-CA 3.21Å; I148-M158 HydrophobicContact CB-CB 4.33Å; I148-M158 PolarHBondContact N-O 3Å; I148-M158 PolarHBondContact O-N 3.36Å; I148-W175 HydrophobicContact CG2-CZ2 4.27Å; I148-L183 HydrophobicContact CD1-CD2 3.72Å; I148-L197 HydrophobicContact CD1-CD2 4.4Å; I148-L197 HydrophobicContact CG1-CD2 4.17Å
149W92.8Very high89.7Confident1 Ų138.8 Ų38.80%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-111.1138.2-174.8-53.881.9000109.8L97 C117 K119 L136 L137 S139 Y147 F154 P157L97-W149 HydrophobicContact CD1-CD2 4.1Å; L97-W149 HydrophobicContact CD1-CH2 4.1Å; L97-W149 HydrophobicContact CD1-CZ2 3.31Å; L97-W149 VanDerWaalsContact CD1-NE1 3.31Å; C117-W149 HydrophobicContact CB-CH2 3.97Å; C117-W149 HydrophobicContact CB-CZ3 3.78Å; K119-W149 HydrophobicContact CB-CH2 4.18Å; K119-W149 HydrophobicContact CD-CH2 4.33Å; L136-W149 WeakPolarHBondContact CA-O 3.45Å; L137-W149 HydrophobicContact CB-CB 4.39Å; L137-W149 PolarHBondContact N-O 2.99Å; L137-W149 PolarHBondContact O-N 2.94Å; S139-W149 PolarHBondContact OG-NE1 3Å; Y147-W149 AromaticContact CD2-CZ2 3.89Å; Y147-W149 HydrophobicContact CD2-CZ2 3.89Å; Y147-W149 HydrophobicContact CG-CZ2 4.08Å; W149-F154 HydrophobicContact CB-CD2 4.19Å; W149-F154 HydrophobicContact CB-CE2 4.1Å; W149-F154 HydrophobicContact CD2-CD2 4.32Å; W149-F154 AromaticContact CD2-CE2 3.9Å; W149-F154 HydrophobicContact CD2-CE2 3.9Å; W149-F154 HydrophobicContact CD2-CZ 4.49Å; W149-F154 AromaticContact CE3-CD2 3.75Å; W149-F154 HydrophobicContact CE3-CD2 3.75Å; W149-F154 AromaticContact CE3-CE2 3.64Å; W149-F154 HydrophobicContact CE3-CE2 3.64Å; W149-F154 HydrophobicContact CE3-CG 4.3Å; W149-F154 HydrophobicContact CE3-CZ 4.13Å; W149-F154 HydrophobicContact CG-CE2 4.08Å; W149-F154 HydrophobicContact CZ3-CE2 4.39Å; W149-F154 HydrophobicContact CZ3-CZ 4.46Å; W149-F154 WeakPolarHBondContact CZ3-O 3.46Å; W149-P157 HydrophobicContact CD2-CB 3.86Å; W149-P157 HydrophobicContact CE3-CB 3.83Å; W149-P157 HydrophobicContact CE3-CG 4.2Å; W149-P157 HydrophobicContact CH2-CB 3.96Å; W149-P157 HydrophobicContact CH2-CG 3.66Å; W149-P157 HydrophobicContact CZ2-CB 3.96Å; W149-P157 HydrophobicContact CZ2-CG 4.05Å; W149-P157 HydrophobicContact CZ3-CB 3.89Å; W149-P157 HydrophobicContact CZ3-CG 3.74Å
150D91.2Very high89.2Confident52 Ų5238.9 Ų38.928%0.27822%0.217SC..EExtended strand (participates in β ladder)trans-95.2120.5164-172.1-6.1000108.6N135 L136 N152 N153 F154N135-D150 WeakPolarHBondContact CB-OD1 3.46Å; N135-D150 VanDerWaalsContact ND2-CG 3.32Å; N135-D150 PolarHBondContact ND2-OD1 3.41Å; N135-D150 CarbonylContact O-C 3.26Å; N135-D150 WeakPolarHBondContact O-CA 3.38Å; L136-D150 HydrophobicContact CD2-CB 4.34Å; D150-N152 PolarHBondContact O-N 2.89Å; D150-N152 WeakPolarHBondContact OD1-CB 3.48Å; D150-N152 PolarHBondContact OD1-N 2.67Å; D150-N152 PolarHBondContact OD1-ND2 2.75Å; D150-N153 CarbonylContact O-C 3.56Å; D150-N153 PolarHBondContact O-N 3.33Å; D150-F154 PolarHBondContact O-N 3.5Å; D150-F154 VanDerWaalsContact O-N 3.15Å
151L87.2Confident88.8Confident23 Ų2339.8 Ų39.812%0.1223%0.227CC..THydrogen-bonded Turntrans-64.8-16.8176.4-65.2178.2000112.6V75 F77 V99 N135V75-L151 HydrophobicContact CB-CD1 4.5Å; V75-L151 HydrophobicContact CG1-CD1 4.23Å; F77-L151 HydrophobicContact CB-CD1 3.85Å; F77-L151 HydrophobicContact CD1-CB 4.18Å; F77-L151 HydrophobicContact CD1-CD1 4.19Å; F77-L151 HydrophobicContact CD2-CB 4.2Å; F77-L151 HydrophobicContact CD2-CD1 4.21Å; F77-L151 HydrophobicContact CE1-CB 4.02Å; F77-L151 HydrophobicContact CE2-CB 4.07Å; F77-L151 HydrophobicContact CG-CB 4.25Å; F77-L151 HydrophobicContact CG-CD1 3.82Å; F77-L151 HydrophobicContact CZ-CB 3.96Å; V99-L151 HydrophobicContact CG1-CD2 4.3Å; V99-L151 HydrophobicContact CG2-CD2 4.01Å; N135-L151 WeakPolarHBondContact O-CG 3.48Å; N135-L151 PolarHBondContact O-N 2.89Å
152N87.3Confident88.2Confident113 Ų11343.6 Ų43.660%0.60426%0.258SS*.THydrogen-bonded Turntrans-77.5-26.2168.9-56.2-76.3000113F77 N135 D150F77-N152 WeakPolarHBondContact CZ-OD1 3.23Å; N135-N152 WeakPolarHBondContact CB-ND2 3.5Å; D150-N152 PolarHBondContact O-N 2.89Å; D150-N152 WeakPolarHBondContact OD1-CB 3.48Å; D150-N152 PolarHBondContact OD1-N 2.67Å; D150-N152 PolarHBondContact OD1-ND2 2.75Å
153N85.4Confident87.8Confident72 Ų7246.6 Ų46.639%0.38527%0.269SS..EExtended strand (participates in β ladder)trans-143.775.5-178.8177.616.7000110.6D150 S155 S156D150-N153 CarbonylContact O-C 3.56Å; D150-N153 PolarHBondContact O-N 3.33Å; N153-S155 PolarHBondContact O-N 3.39Å; N153-S155 VanDerWaalsContact O-N 3.08Å; N153-S155 PolarHBondContact OD1-N 3.33Å; N153-S155 PolarHBondContact OD1-OG 2.91Å; N153-S156 PolarHBondContact ND2-OG 2.83Å
154F85.2Confident87.5Confident29 Ų2943.5 Ų43.513%0.12725%0.253CS..EExtended strand (participates in β ladder)trans-67.3-9-178.2-157.5-120.4000113.8L97 V99 C117 W149 D150L97-F154 HydrophobicContact CB-CZ 3.85Å; V99-F154 HydrophobicContact CG2-CD2 4.13Å; V99-F154 HydrophobicContact CG2-CE1 4.09Å; V99-F154 HydrophobicContact CG2-CE2 3.68Å; V99-F154 HydrophobicContact CG2-CZ 3.66Å; C117-F154 HydrophobicContact CB-CD1 3.97Å; C117-F154 HydrophobicContact CB-CE1 3.56Å; C117-F154 HydrophobicContact CB-CZ 4.27Å; W149-F154 HydrophobicContact CB-CD2 4.19Å; W149-F154 HydrophobicContact CB-CE2 4.1Å; W149-F154 HydrophobicContact CD2-CD2 4.32Å; W149-F154 AromaticContact CD2-CE2 3.9Å; W149-F154 HydrophobicContact CD2-CE2 3.9Å; W149-F154 HydrophobicContact CD2-CZ 4.49Å; W149-F154 AromaticContact CE3-CD2 3.75Å; W149-F154 HydrophobicContact CE3-CD2 3.75Å; W149-F154 AromaticContact CE3-CE2 3.64Å; W149-F154 HydrophobicContact CE3-CE2 3.64Å; W149-F154 HydrophobicContact CE3-CG 4.3Å; W149-F154 HydrophobicContact CE3-CZ 4.13Å; W149-F154 HydrophobicContact CG-CE2 4.08Å; W149-F154 HydrophobicContact CZ3-CE2 4.39Å; W149-F154 HydrophobicContact CZ3-CZ 4.46Å; W149-F154 WeakPolarHBondContact CZ3-O 3.46Å; D150-F154 PolarHBondContact O-N 3.5Å; D150-F154 VanDerWaalsContact O-N 3.15Å
155S81.1Confident86.9Confident79 Ų7951.4 Ų51.455%0.55229%0.29SS*.EExtended strand (participates in β ladder)trans-74.6-26.2-175.978.20000114K119 N153K119-S155 PolarHBondContact NZ-O 2.64Å; N153-S155 PolarHBondContact O-N 3.39Å; N153-S155 VanDerWaalsContact O-N 3.08Å; N153-S155 PolarHBondContact OD1-N 3.33Å; N153-S155 PolarHBondContact OD1-OG 2.91Å
156S85.3Confident86.4Confident66 Ų6654.2 Ų54.246%0.46231%0.31SS..EExtended strand (participates in β ladder)trans-132.487.7-17160.60000112N153N153-S156 PolarHBondContact ND2-OG 2.83Å
157P87.9Confident86.1Confident29 Ų2957.6 Ų57.619%0.18833%0.331CS..EExtended strand (participates in β ladder)trans-68.6151.7173.228.6-34.5000112.1K119 Y147 I148 W149K119-P157 HydrophobicContact CD-CG 3.82Å; Y147-P157 HydrophobicContact CD1-CB 4.03Å; Y147-P157 HydrophobicContact CD1-CG 4.12Å; Y147-P157 HydrophobicContact CG-CB 4.01Å; Y147-P157 HydrophobicContact CG-CG 4.21Å; I148-P157 CarbonylContact O-C 3.59Å; I148-P157 VanDerWaalsContact O-CA 3.3Å; I148-P157 WeakPolarHBondContact O-CA 3.21Å; W149-P157 HydrophobicContact CD2-CB 3.86Å; W149-P157 HydrophobicContact CE3-CB 3.83Å; W149-P157 HydrophobicContact CE3-CG 4.2Å; W149-P157 HydrophobicContact CH2-CB 3.96Å; W149-P157 HydrophobicContact CH2-CG 3.66Å; W149-P157 HydrophobicContact CZ2-CB 3.96Å; W149-P157 HydrophobicContact CZ2-CG 4.05Å; W149-P157 HydrophobicContact CZ3-CB 3.89Å; W149-P157 HydrophobicContact CZ3-CG 3.74Å
158M89.7Confident85.8Confident81 Ų8157.5 Ų57.540%0.39933%0.332SS..EExtended strand (participates in β ladder)trans-99.3143.9172.1172.3178.5175.300109.8I148 N200I148-M158 HydrophobicContact CB-CB 4.33Å; I148-M158 PolarHBondContact N-O 3Å; I148-M158 PolarHBondContact O-N 3.36Å; M158-N200 WeakPolarHBondContact CE-OD1 3.49Å
159T89.3Confident85.6Confident71 Ų7159.3 Ų59.344%0.43634%0.342SS..PPolyproline II helixtrans-97.4141.9170.547.40000110.6Y147 G161Y147-T159 HydrophobicContact CD1-CG2 3.68Å; Y147-T159 HydrophobicContact CE1-CG2 3.55Å; T159-G161 PolarHBondContact O-N 3.34Å
160P84.4Confident85.5Confident3 Ų359.3 Ų59.32%0.01934%0.342CS..SBendtrans-78.30.7-179.835.5-39.3000113.6I146 W195 L197 N200 E201I146-P160 HydrophobicContact CB-CG 3.69Å; I146-P160 HydrophobicContact CD1-CG 3.97Å; I146-P160 HydrophobicContact CG1-CG 4.41Å; I146-P160 HydrophobicContact CG2-CG 3.76Å; I146-P160 VanDerWaalsContact O-CD 3.24Å; I146-P160 WeakPolarHBondContact O-CD 3.22Å; P160-W195 HydrophobicContact CB-CB 4.21Å; P160-W195 HydrophobicContact CB-CD2 4.18Å; P160-W195 HydrophobicContact CB-CE3 4.1Å; P160-W195 HydrophobicContact CB-CG 4.25Å; P160-W195 HydrophobicContact CG-CD2 4.19Å; P160-W195 HydrophobicContact CG-CE3 4.15Å; P160-L197 HydrophobicContact CB-CD2 3.49Å; P160-L197 VanDerWaalsContact CB-CD2 3.49Å; P160-N200 CarbonylContact O-C 2.99Å; P160-N200 WeakPolarHBondContact O-CA 3.29Å; P160-E201 PolarHBondContact O-N 3.42Å
161G83.1Confident85.5Confident19 Ų1958.2 Ų58.220%0.19634%0.338CS..SBendtrans152.2-164.7179.200000112.6T159 N200T159-G161 PolarHBondContact O-N 3.34Å; G161-N200 WeakPolarHBondContact CA-O 3.17Å
162A79.8Confident85.7Confident80 Ų8058.1 Ų58.166%0.66134%0.338SS*.SBendtrans-71.9146.2174.400000111.9W195A162-W195 WeakPolarHBondContact O-CH2 3.3Å
163K83.9Confident86.1Confident96 Ų9653 Ų5342%0.41731%0.311SS..PPolyproline II helixtrans-53.1138.4175.4-70.8-172.1170.1-151.30111.1D143 E145D143-K163 VanDerWaalsContact O-CD 3.27Å; D143-K163 WeakPolarHBondContact O-CD 3.32Å; D143-K163 VanDerWaalsContact O-CE 3.28Å; D143-K163 WeakPolarHBondContact O-CE 3.41Å; D143-K163 PolarHBondContact O-NZ 2.91Å; E145-K163 IonicContact OE1-NZ 2.95Å; E145-K163 PolarHBondContact OE1-NZ 3.48Å
164T80.7Confident86.6Confident17 Ų1749.6 Ų49.610%0.10429%0.293CS..PPolyproline II helixtrans-63.1146.1174.833.50000111.9S144 P166 V193 W195S144-T164 WeakPolarHBondContact CB-OG1 3.47Å; S144-T164 PolarHBondContact OG-OG1 2.98Å; T164-P166 CarbonylContact C-O 3.56Å; T164-P166 CarbonylContact O-C 3.58Å; T164-V193 HydrophobicContact CG2-CG2 3.95Å; T164-W195 HydrophobicContact CG2-CH2 4.05Å; T164-W195 HydrophobicContact CG2-CZ2 3.98Å
165Q76.6Confident87.1Confident171 Ų17148.2 Ų48.280%0.79929%0.287SS*.SBendtrans-117.8134.9170.9-68.4-170.73.800109.9
166P82.6Confident87.7Confident76 Ų7644.5 Ų44.549%0.49426%0.261SS..SBendcis-60155.6-7.730.4-38.2000112.1T164 E168T164-P166 CarbonylContact C-O 3.56Å; T164-P166 CarbonylContact O-C 3.58Å; P166-E168 HydrophobicContact CG-CG 4.32Å; P166-E168 WeakPolarHBondContact CG-OE1 3.25Å; P166-E168 PolarHBondContact O-N 3.28Å
167V85.4Confident88.1Confident79 Ų7943.4 Ų43.448%0.47925%0.246SC..  trans-72.8118.7176.5177.40000107.8D143D143-V167 HydrophobicContact CB-CG1 4.01Å
168E87.8Confident88.4Confident43 Ų4346.5 Ų46.520%0.20126%0.258CS..  trans-138.3151.1-178.8-68.2179.8-156.800109.9S144 P166 N187 S189 K191S144-E168 VanDerWaalsContact CA-O 3.32Å; S144-E168 WeakPolarHBondContact CA-O 3.44Å; S144-E168 PolarHBondContact N-O 2.86Å; S144-E168 PolarHBondContact OG-N 3.04Å; S144-E168 VanDerWaalsContact OG-N 3.09Å; S144-E168 PolarHBondContact OG-O 3.44Å; P166-E168 HydrophobicContact CG-CG 4.32Å; P166-E168 WeakPolarHBondContact CG-OE1 3.25Å; P166-E168 PolarHBondContact O-N 3.28Å; E168-N187 HydrophobicContact CB-CB 4.25Å; E168-N187 PolarHBondContact O-ND2 3.28Å; E168-N187 WeakPolarHBondContact OE2-CB 3.49Å; E168-S189 WeakPolarHBondContact OE2-CB 3.47Å; E168-S189 PolarHBondContact OE2-OG 3.37Å; E168-K191 IonicContact OE1-NZ 3.87Å; E168-K191 PolarHBondContact OE1-NZ 2.93Å
169D90.1Very high88.6Confident46 Ų4644.4 Ų44.425%0.24625%0.25CS..  trans-57.8156.9172-71.23000111.5R125 N142 N187 P188R125-D169 IonicContact NE-OD2 3.57Å; N142-D169 WeakPolarHBondContact CA-OD1 3.46Å; N142-D169 WeakPolarHBondContact CB-OD1 3.34Å; N142-D169 VanDerWaalsContact CG-OD2 3.23Å; N142-D169 PolarHBondContact ND2-OD1 3.48Å; N142-D169 PolarHBondContact ND2-OD2 3.36Å; N142-D169 PolarHBondContact OD1-OD2 3.44Å; D169-N187 WeakPolarHBondContact O-CA 3.33Å; D169-N187 PolarHBondContact O-ND2 3.04Å; D169-P188 HydrophobicContact CB-CG 4.38Å; D169-P188 WeakPolarHBondContact O-CD 3.49Å
170I92.4Very high88.8Confident1 Ų144.6 Ų44.61%0.00525%0.246CC..  trans-106.9118.2175.9-57.1-174.7000108.5A126 A141 I146 V172 V173A126-I170 HydrophobicContact CB-CG2 4.47Å; A141-I170 WeakPolarHBondContact O-CB 3.28Å; A141-I170 PolarHBondContact O-N 2.98Å; I146-I170 HydrophobicContact CD1-CD1 3.9Å; I146-I170 HydrophobicContact CG1-CD1 3.22Å; I170-V172 WeakPolarHBondContact CG2-O 3.1Å; I170-V173 HydrophobicContact CG2-CG2 3.72Å
171S90.7Very high89.2Confident28 Ų2846 Ų4620%0.19625%0.252CS..  trans-83.3-39.6176.650.30000111.8A186 C215S171-A186 PolarHBondContact N-O 3.34Å; S171-A186 PolarHBondContact OG-O 3.48Å; S171-C215 WeakPolarHBondContact CB-O 3.17Å; S171-C215 PolarHBondContact OG-O 3.49Å
172V92.1Very high89.7Confident22 Ų2246.1 Ų46.113%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-140.3145.9-175.1-164.40000111.4I170 S185 A186 S216 M218I170-V172 WeakPolarHBondContact CG2-O 3.1Å; V172-S185 CarbonylContact O-C 3.57Å; V172-S185 WeakPolarHBondContact O-CA 3.33Å; V172-A186 HydrophobicContact CB-CB 4.39Å; V172-A186 PolarHBondContact N-O 2.9Å; V172-A186 PolarHBondContact O-N 3.46Å; V172-S216 WeakPolarHBondContact CG2-O 3.45Å; V172-M218 HydrophobicContact CB-CB 4.12Å; V172-M218 HydrophobicContact CB-CE 4.31Å; V172-M218 HydrophobicContact CG1-CB 3.9Å; V172-M218 HydrophobicContact CG1-CE 4.34Å
173V94.6Very high90.4Very high4 Ų442.3 Ų42.32%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-130.5137.7168.8173.40000106.6A126 D128 A138 I170 L183 A184A126-V173 HydrophobicContact CB-CB 4.01Å; A126-V173 HydrophobicContact CB-CG2 3.78Å; D128-V173 WeakPolarHBondContact CB-O 3.39Å; A138-V173 HydrophobicContact CB-CG1 3.71Å; I170-V173 HydrophobicContact CG2-CG2 3.72Å; V173-L183 HydrophobicContact CG1-CD1 3.71Å; V173-L183 HydrophobicContact CG1-CD2 4.04Å; V173-L183 HydrophobicContact CG1-CG 4Å; V173-A184 CarbonylContact C-O 3.5Å; V173-A184 WeakPolarHBondContact CA-O 3.35Å
174S95.4Very high91Very high1 Ų137.7 Ų37.71%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-145.7140.2170.9-170.80000114D128 A184 W220D128-S174 WeakPolarHBondContact OD2-CA 3.4Å; D128-S174 WeakPolarHBondContact OD2-CB 3.47Å; D128-S174 PolarHBondContact OD2-OG 3.33Å; S174-A184 PolarHBondContact N-O 3.4Å; S174-A184 PolarHBondContact O-N 2.97Å; S174-W220 PolarHBondContact O-NE1 3.24Å
175W95.6Very high91.6Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-82.1139.1176.6-80.693000112.3D128 N130 L136 A138 I148 R177 Q180 L183 L197D128-W175 PolarHBondContact O-NE1 2.95Å; D128-W175 PolarHBondContact OD2-N 3.45Å; N130-W175 HydrophobicContact CB-CD2 3.75Å; N130-W175 HydrophobicContact CB-CE3 3.91Å; N130-W175 HydrophobicContact CB-CG 4.32Å; N130-W175 HydrophobicContact CB-CH2 3.95Å; N130-W175 HydrophobicContact CB-CZ2 3.83Å; N130-W175 HydrophobicContact CB-CZ3 4.01Å; N130-W175 WeakPolarHBondContact ND2-CH2 3.49Å; N130-W175 WeakPolarHBondContact ND2-CZ3 3.49Å; L136-W175 HydrophobicContact CB-CH2 4.42Å; L136-W175 HydrophobicContact CB-CZ2 4.16Å; L136-W175 HydrophobicContact CD1-CH2 4.21Å; A138-W175 HydrophobicContact CB-CZ2 4.48Å; A138-W175 VanDerWaalsContact CB-NE1 3.33Å; I148-W175 HydrophobicContact CG2-CZ2 4.27Å; W175-R177 PolarHBondContact O-N 2.97Å; W175-Q180 WeakPolarHBondContact CZ3-O 3.32Å; W175-L183 HydrophobicContact CB-CD1 4.47Å; W175-L183 HydrophobicContact CD2-CD1 3.72Å; W175-L183 HydrophobicContact CE3-CD1 4.36Å; W175-L183 HydrophobicContact CG-CD1 3.72Å; W175-L197 HydrophobicContact CH2-CD1 3.17Å; W175-L197 HydrophobicContact CZ2-CD1 4.01Å; W175-L197 HydrophobicContact CZ3-CD1 3.49Å; W175-L197 VanDerWaalsContact CZ3-CD1 3.49Å
176N95.2Very high92.3Very high2 Ų228.8 Ų28.81%0.01115%0.154CC..  trans-65.6121.7175.3-171.4-56.3000110.8Q178 V179 I182 W220 A225N176-Q178 PolarHBondContact O-N 3.23Å; N176-Q178 PolarHBondContact OD1-N 2.84Å; N176-V179 HydrophobicContact CB-CB 4.37Å; N176-V179 PolarHBondContact O-N 3.47Å; N176-V179 PolarHBondContact OD1-N 2.98Å; N176-I182 HydrophobicContact CB-CB 3.85Å; N176-I182 HydrophobicContact CB-CG2 4.07Å; N176-I182 VanDerWaalsContact CB-O 3.24Å; N176-I182 WeakPolarHBondContact CB-O 3.18Å; N176-I182 PolarHBondContact N-O 2.98Å; N176-W220 HydrophobicContact CB-CD2 3.98Å; N176-W220 HydrophobicContact CB-CE3 4.31Å; N176-W220 HydrophobicContact CB-CG 4.37Å; N176-W220 HydrophobicContact CB-CH2 4.42Å; N176-W220 HydrophobicContact CB-CZ2 4.12Å; N176-W220 WeakPolarHBondContact ND2-CH2 3.33Å; N176-W220 WeakPolarHBondContact ND2-CZ3 3.45Å; N176-A225 PolarHBondContact ND2-O 3.37Å
177R92.9Very high92.7Very high42 Ų4225.4 Ų25.416%0.15813%0.132CC..SBendtrans-74.5-5.9-175.4-55.5-57.6-179.6-160-5.9114.3D128 F129 F132 W175 W220D128-R177 IonicContact OD1-CZ 3.1Å; D128-R177 IonicContact OD1-NH1 2.76Å; D128-R177 PolarHBondContact OD1-NH1 3.41Å; D128-R177 IonicContact OD1-NH2 2.72Å; D128-R177 PolarHBondContact OD1-NH2 3.19Å; D128-R177 IonicContact OD2-CZ 3.06Å; D128-R177 IonicContact OD2-NH1 3.02Å; D128-R177 IonicContact OD2-NH2 2.79Å; D128-R177 PolarHBondContact OD2-NH2 3.19Å; F129-R177 PolarHBondContact O-NH1 2.89Å; F132-R177 WeakPolarHBondContact CZ-O 3.22Å; W175-R177 PolarHBondContact O-N 2.97Å; R177-W220 HydrophobicContact CG-CB 4.41Å
178Q94.4Very high92.8Very high94 Ų9424 Ų2444%0.43912%0.124SC..SBendtrans-115.6-17.4175.2-69.9-63-40.900113.8F132 N176 P222 A225F132-Q178 VanDerWaalsContact CZ-C 3.48Å; N176-Q178 PolarHBondContact O-N 3.23Å; N176-Q178 PolarHBondContact OD1-N 2.84Å; Q178-P222 WeakPolarHBondContact CG-O 3.49Å; Q178-P222 PolarHBondContact NE2-O 3.44Å; Q178-A225 HydrophobicContact CB-CB 3.81Å
179V94.1Very high92.7Very high37 Ų3722.9 Ų22.922%0.22412%0.121CC..  trans-135.6102.2-170.4-172.40000112.2N176 H181 I182 A225N176-V179 HydrophobicContact CB-CB 4.37Å; N176-V179 PolarHBondContact O-N 3.47Å; N176-V179 PolarHBondContact OD1-N 2.98Å; V179-H181 WeakPolarHBondContact CG1-CE1 3.5Å; V179-H181 WeakPolarHBondContact CG1-ND1 3.38Å; V179-H181 PolarHBondContact O-N 2.91Å; V179-I182 HydrophobicContact CB-CB 4.37Å; V179-I182 HydrophobicContact CB-CG1 4.09Å; V179-I182 HydrophobicContact CG1-CB 4.33Å; V179-I182 HydrophobicContact CG1-CG1 3.59Å; V179-I182 PolarHBondContact O-N 3.26Å; V179-I182 VanDerWaalsContact O-N 3.14Å; V179-A225 HydrophobicContact CG2-CB 3.65Å
180Q93.3Very high92.3Very high76 Ų7620.9 Ų20.936%0.35511%0.112SC..THydrogen-bonded Turntrans-55.61.6-172.969.3152.910400119.2N130 F132 W175N130-Q180 PolarHBondContact ND2-O 3.13Å; F132-Q180 HydrophobicContact CB-CB 3.7Å; F132-Q180 HydrophobicContact CD2-CB 3.72Å; F132-Q180 HydrophobicContact CG-CB 3.8Å; W175-Q180 WeakPolarHBondContact CZ3-O 3.32Å
181H92.1Very high92.1Very high32 Ų3223.4 Ų23.415%0.14812%0.122CC..THydrogen-bonded Turntrans-136.87.7-174.963.9-79.3000113.3V179 D196 L197 R198V179-H181 WeakPolarHBondContact CG1-CE1 3.5Å; V179-H181 WeakPolarHBondContact CG1-ND1 3.38Å; V179-H181 PolarHBondContact O-N 2.91Å; H181-D196 IonicContact CD2-OD1 2.85Å; H181-D196 PolarHBondContact CD2-OD1 3.09Å; H181-L197 HydrophobicContact CB-CB 4.49Å; H181-L197 WeakPolarHBondContact O-CB 3.46Å; H181-L197 PolarHBondContact O-N 3.39Å; H181-R198 HydrophobicContact CB-CG 4.08Å; H181-R198 VanDerWaalsContact CD2-CD 3.5Å; H181-R198 WeakPolarHBondContact CD2-CD 3.41Å; H181-R198 VanDerWaalsContact CE1-CZ 3.44Å; H181-R198 PolarHBondContact CE1-NH1 2.92Å; H181-R198 PolarHBondContact NE2-NH1 2.91Å
182I94.8Very high92.2Very high21 Ų2122.1 Ų22.111%0.10811%0.114CC..EExtended strand (participates in β ladder)trans-109.9125.5178.8-60.2-66000108.7N176 V179 V194 D196 I203 W220N176-I182 HydrophobicContact CB-CB 3.85Å; N176-I182 HydrophobicContact CB-CG2 4.07Å; N176-I182 VanDerWaalsContact CB-O 3.24Å; N176-I182 WeakPolarHBondContact CB-O 3.18Å; N176-I182 PolarHBondContact N-O 2.98Å; V179-I182 HydrophobicContact CB-CB 4.37Å; V179-I182 HydrophobicContact CB-CG1 4.09Å; V179-I182 HydrophobicContact CG1-CB 4.33Å; V179-I182 HydrophobicContact CG1-CG1 3.59Å; V179-I182 PolarHBondContact O-N 3.26Å; V179-I182 VanDerWaalsContact O-N 3.14Å; I182-V194 HydrophobicContact CG2-CG1 3.62Å; I182-D196 HydrophobicContact CD1-CB 4.5Å; I182-I203 HydrophobicContact CD1-CD1 3.7Å; I182-W220 HydrophobicContact CG2-CH2 3.55Å; I182-W220 HydrophobicContact CG2-CZ2 3.69Å
183L95Very high92.2Very high0 Ų021.3 Ų21.30%011%0.109CC..EExtended strand (participates in β ladder)trans-121.7148179.4-17074.4000108.9A138 I146 I148 V173 W175 V194 W195A138-L183 HydrophobicContact CB-CD1 3.78Å; A138-L183 HydrophobicContact CB-CD2 4.09Å; I146-L183 HydrophobicContact CG2-CD2 4.08Å; I148-L183 HydrophobicContact CD1-CD2 3.72Å; V173-L183 HydrophobicContact CG1-CD1 3.71Å; V173-L183 HydrophobicContact CG1-CD2 4.04Å; V173-L183 HydrophobicContact CG1-CG 4Å; W175-L183 HydrophobicContact CB-CD1 4.47Å; W175-L183 HydrophobicContact CD2-CD1 3.72Å; W175-L183 HydrophobicContact CE3-CD1 4.36Å; W175-L183 HydrophobicContact CG-CD1 3.72Å; L183-V194 CarbonylContact O-C 3.3Å; L183-V194 WeakPolarHBondContact O-CA 3.42Å; L183-W195 HydrophobicContact CB-CB 4.45Å; L183-W195 PolarHBondContact N-O 2.9Å; L183-W195 PolarHBondContact O-N 2.92Å
184A94.7Very high92.2Very high0 Ų021.2 Ų21.20%011%0.108CC..EExtended strand (participates in β ladder)trans-116.9144.6164.200000110.3V173 S174 V193 V194 M218 W220 L228V173-A184 CarbonylContact C-O 3.5Å; V173-A184 WeakPolarHBondContact CA-O 3.35Å; S174-A184 PolarHBondContact N-O 3.4Å; S174-A184 PolarHBondContact O-N 2.97Å; A184-V193 CarbonylContact C-O 3.6Å; A184-V193 WeakPolarHBondContact CA-O 3.45Å; A184-V194 HydrophobicContact CB-CG2 4.44Å; A184-M218 HydrophobicContact CB-CE 3.73Å; A184-M218 HydrophobicContact CB-SD 3.58Å; A184-M218 VanDerWaalsContact CB-SD 3.58Å; A184-M218 WeakPolarHBondContact O-CE 3.2Å; A184-W220 HydrophobicContact CB-CZ2 3.73Å; A184-L228 HydrophobicContact CB-CD2 4.36Å
185S94Very high92.1Very high1 Ų121.4 Ų21.41%0.00711%0.109CC..EExtended strand (participates in β ladder)trans-124.7141.4166.761.60000109.9V172 A192 V193 W195V172-S185 CarbonylContact O-C 3.57Å; V172-S185 WeakPolarHBondContact O-CA 3.33Å; S185-A192 CarbonylContact O-C 3.58Å; S185-A192 VanDerWaalsContact O-CA 3.27Å; S185-A192 WeakPolarHBondContact O-CA 3.19Å; S185-V193 PolarHBondContact N-O 3.48Å; S185-V193 PolarHBondContact O-N 3.37Å; S185-W195 PolarHBondContact OG-NE1 3.26Å
186A92.1Very high92Very high0 Ų021.9 Ų21.90%011%0.111CC..EExtended strand (participates in β ladder)trans-120.6139.2175.300000111.2S171 V172 K191 A192 C215 M218S171-A186 PolarHBondContact N-O 3.34Å; S171-A186 PolarHBondContact OG-O 3.48Å; V172-A186 HydrophobicContact CB-CB 4.39Å; V172-A186 PolarHBondContact N-O 2.9Å; V172-A186 PolarHBondContact O-N 3.46Å; A186-K191 WeakPolarHBondContact CA-O 3.38Å; A186-A192 HydrophobicContact CB-CB 4.19Å; A186-C215 HydrophobicContact CB-CB 4.34Å; A186-M218 HydrophobicContact CB-CB 4.42Å; A186-M218 HydrophobicContact CB-CE 3.9Å; A186-M218 HydrophobicContact CB-SD 3.99Å
187N90.4Very high91.8Very high4 Ų422.9 Ų22.92%0.02112%0.117CC..  trans-95153173.2-57.7103.4000110E168 D169 S189 G190 K191E168-N187 HydrophobicContact CB-CB 4.25Å; E168-N187 PolarHBondContact O-ND2 3.28Å; E168-N187 WeakPolarHBondContact OE2-CB 3.49Å; D169-N187 WeakPolarHBondContact O-CA 3.33Å; D169-N187 PolarHBondContact O-ND2 3.04Å; N187-S189 PolarHBondContact O-N 3.25Å; N187-G190 PolarHBondContact O-N 3.13Å; N187-G190 VanDerWaalsContact O-N 3.1Å; N187-K191 PolarHBondContact N-O 3.5Å
188P87.5Confident91.7Very high50 Ų5029 Ų2933%0.32514%0.14SC..THydrogen-bonded Turntrans-53.6-18.9173.8-26.933.5000114.9D169 G190 H214 C215D169-P188 HydrophobicContact CB-CG 4.38Å; D169-P188 WeakPolarHBondContact O-CD 3.49Å; P188-G190 VanDerWaalsContact C-N 3.31Å; P188-G190 PolarHBondContact O-N 2.95Å; P188-H214 WeakPolarHBondContact O-CA 3.47Å; P188-H214 PolarHBondContact O-ND1 3.02Å; P188-C215 PolarHBondContact O-N 3.21Å
189S85.3Confident91.3Very high19 Ų1930.3 Ų30.313%0.13314%0.144CC..THydrogen-bonded Turntrans-813.1178.368.10000115.9E168 N187 K191 M213E168-S189 WeakPolarHBondContact OE2-CB 3.47Å; E168-S189 PolarHBondContact OE2-OG 3.37Å; N187-S189 PolarHBondContact O-N 3.25Å; S189-K191 VanDerWaalsContact C-N 3.33Å; S189-K191 WeakPolarHBondContact OG-CD 3.29Å; S189-K191 WeakPolarHBondContact OG-CE 3.25Å; S189-M213 CarbonylContact C-O 3.02Å
190G82.1Confident91Very high5 Ų532 Ų325%0.05215%0.151CC..SBendtrans87.6-1.2-179.900000115.1N187 P188 M213N187-G190 PolarHBondContact O-N 3.13Å; N187-G190 VanDerWaalsContact O-N 3.1Å; P188-G190 VanDerWaalsContact C-N 3.31Å; P188-G190 PolarHBondContact O-N 2.95Å; G190-M213 WeakPolarHBondContact CA-O 3.22Å; G190-M213 PolarHBondContact N-O 2.84Å
191K88.7Confident90.7Very high53 Ų5334 Ų3423%0.2316%0.161CC..  trans-79.2130.9171.9-59.6165.7-161.8161.70108.8E168 A186 N187 S189 I206 N211E168-K191 IonicContact OE1-NZ 3.87Å; E168-K191 PolarHBondContact OE1-NZ 2.93Å; A186-K191 WeakPolarHBondContact CA-O 3.38Å; N187-K191 PolarHBondContact N-O 3.5Å; S189-K191 VanDerWaalsContact C-N 3.33Å; S189-K191 WeakPolarHBondContact OG-CD 3.29Å; S189-K191 WeakPolarHBondContact OG-CE 3.25Å; K191-I206 CarbonylContact C-O 3.6Å; K191-I206 WeakPolarHBondContact CA-O 3.04Å; K191-N211 WeakPolarHBondContact CE-OD1 3.49Å
192A91.9Very high90.6Very high1 Ų134.8 Ų34.81%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-121.8144.8168.700000110.4S185 A186 I206 M218 L230S185-A192 CarbonylContact O-C 3.58Å; S185-A192 VanDerWaalsContact O-CA 3.27Å; S185-A192 WeakPolarHBondContact O-CA 3.19Å; A186-A192 HydrophobicContact CB-CB 4.19Å; A192-I206 HydrophobicContact CB-CB 4.27Å; A192-I206 PolarHBondContact N-O 3.43Å; A192-I206 PolarHBondContact O-N 3.32Å; A192-M218 HydrophobicContact CB-SD 4.18Å; A192-L230 HydrophobicContact CB-CD1 4.1Å; A192-L230 HydrophobicContact CB-CD2 3.97Å
193V92.8Very high90.4Very high6 Ų637.7 Ų37.74%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-129129.3-176.5-177.10000108.9T164 A184 S185 W195 P202 I204 K205T164-V193 HydrophobicContact CG2-CG2 3.95Å; A184-V193 CarbonylContact C-O 3.6Å; A184-V193 WeakPolarHBondContact CA-O 3.45Å; S185-V193 PolarHBondContact N-O 3.48Å; S185-V193 PolarHBondContact O-N 3.37Å; V193-W195 HydrophobicContact CB-CZ2 4.3Å; V193-W195 HydrophobicContact CG1-CD2 4.27Å; V193-W195 HydrophobicContact CG1-CZ2 3.87Å; V193-W195 VanDerWaalsContact O-CD1 3.3Å; V193-W195 PolarHBondContact O-NE1 3.37Å; V193-P202 HydrophobicContact CG1-CB 3.43Å; V193-P202 VanDerWaalsContact CG1-CB 3.43Å; V193-I204 WeakPolarHBondContact CA-O 3.45Å; V193-K205 HydrophobicContact CG1-CG 4.47Å; V193-K205 HydrophobicContact CG2-CG 4.24Å
194V94.4Very high90.2Very high1 Ų139.6 Ų39.61%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-101.7131.1177.8-1760000108.9I182 L183 A184 P202 I203 I204 I206 W220 L228 L245I182-V194 HydrophobicContact CG2-CG1 3.62Å; L183-V194 CarbonylContact O-C 3.3Å; L183-V194 WeakPolarHBondContact O-CA 3.42Å; A184-V194 HydrophobicContact CB-CG2 4.44Å; V194-P202 CarbonylContact O-C 3.55Å; V194-I203 HydrophobicContact CG1-CD1 4.31Å; V194-I203 PolarHBondContact O-N 3.22Å; V194-I204 HydrophobicContact CB-CB 4.24Å; V194-I204 HydrophobicContact CG2-CB 4.46Å; V194-I204 PolarHBondContact N-O 2.95Å; V194-I204 PolarHBondContact O-N 3.39Å; V194-I206 HydrophobicContact CG2-CD1 4.2Å; V194-W220 HydrophobicContact CG1-CH2 3.89Å; V194-W220 HydrophobicContact CG1-CZ2 4.17Å; V194-W220 HydrophobicContact CG2-CH2 4.34Å; V194-L228 HydrophobicContact CG2-CD2 4.32Å; V194-L245 HydrophobicContact CG1-CD1 4.26Å; V194-L245 HydrophobicContact CG2-CD1 4.13Å; V194-L245 HydrophobicContact CG2-CD2 3.95Å
195W93.8Very high90Very high5 Ų546.1 Ų46.12%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-116.7144.7-171.6-52.483000111.5I146 P160 A162 T164 L183 S185 V193 P202I146-W195 HydrophobicContact CD1-CD2 4.47Å; I146-W195 HydrophobicContact CD1-CH2 4.48Å; I146-W195 HydrophobicContact CD1-CZ2 3.61Å; P160-W195 HydrophobicContact CB-CB 4.21Å; P160-W195 HydrophobicContact CB-CD2 4.18Å; P160-W195 HydrophobicContact CB-CE3 4.1Å; P160-W195 HydrophobicContact CB-CG 4.25Å; P160-W195 HydrophobicContact CG-CD2 4.19Å; P160-W195 HydrophobicContact CG-CE3 4.15Å; A162-W195 WeakPolarHBondContact O-CH2 3.3Å; T164-W195 HydrophobicContact CG2-CH2 4.05Å; T164-W195 HydrophobicContact CG2-CZ2 3.98Å; L183-W195 HydrophobicContact CB-CB 4.45Å; L183-W195 PolarHBondContact N-O 2.9Å; L183-W195 PolarHBondContact O-N 2.92Å; S185-W195 PolarHBondContact OG-NE1 3.26Å; V193-W195 HydrophobicContact CB-CZ2 4.3Å; V193-W195 HydrophobicContact CG1-CD2 4.27Å; V193-W195 HydrophobicContact CG1-CZ2 3.87Å; V193-W195 VanDerWaalsContact O-CD1 3.3Å; V193-W195 PolarHBondContact O-NE1 3.37Å; W195-P202 HydrophobicContact CD2-CB 4.22Å; W195-P202 HydrophobicContact CE3-CB 3.8Å; W195-P202 HydrophobicContact CE3-CG 4.33Å; W195-P202 HydrophobicContact CH2-CB 4.27Å; W195-P202 HydrophobicContact CZ3-CB 3.84Å; W195-P202 HydrophobicContact CZ3-CG 4Å
196D92.8Very high89.8Confident11 Ų1146.2 Ų46.26%0.05922%0.222CC..EExtended strand (participates in β ladder)trans-105107170.7-172.2-20.6000110H181 I182 R198 K199 N200 E201 I203H181-D196 IonicContact CD2-OD1 2.85Å; H181-D196 PolarHBondContact CD2-OD1 3.09Å; I182-D196 HydrophobicContact CD1-CB 4.5Å; D196-R198 PolarHBondContact O-N 2.88Å; D196-R198 VanDerWaalsContact O-N 3.12Å; D196-R198 WeakPolarHBondContact OD1-CA 3.37Å; D196-R198 VanDerWaalsContact OD1-CB 3.27Å; D196-R198 WeakPolarHBondContact OD1-CB 3.23Å; D196-R198 PolarHBondContact OD1-N 3.13Å; D196-K199 HydrophobicContact CB-CB 4.15Å; D196-K199 HydrophobicContact CB-CD 4.27Å; D196-K199 HydrophobicContact CB-CG 4.2Å; D196-K199 PolarHBondContact O-N 2.88Å; D196-K199 WeakPolarHBondContact OD2-CD 3.39Å; D196-K199 WeakPolarHBondContact OD2-CE 3.33Å; D196-K199 WeakPolarHBondContact OD2-CG 3.34Å; D196-K199 IonicContact OD2-NZ 3.36Å; D196-K199 PolarHBondContact OD2-NZ 3.21Å; D196-N200 PolarHBondContact O-N 3.19Å; D196-E201 PolarHBondContact N-O 2.99Å; D196-I203 HydrophobicContact CB-CD1 3.67Å; D196-I203 HydrophobicContact CB-CG1 3.7Å
197L90.6Very high89.5Confident23 Ų2348.7 Ų48.712%0.1224%0.24CC..THydrogen-bonded Turntrans-71.8-0.5-179.6-57.8179.9000113.9I148 P160 W175 H181 N200I148-L197 HydrophobicContact CD1-CD2 4.4Å; I148-L197 HydrophobicContact CG1-CD2 4.17Å; P160-L197 HydrophobicContact CB-CD2 3.49Å; P160-L197 VanDerWaalsContact CB-CD2 3.49Å; W175-L197 HydrophobicContact CH2-CD1 3.17Å; W175-L197 HydrophobicContact CZ2-CD1 4.01Å; W175-L197 HydrophobicContact CZ3-CD1 3.49Å; W175-L197 VanDerWaalsContact CZ3-CD1 3.49Å; H181-L197 HydrophobicContact CB-CB 4.49Å; H181-L197 WeakPolarHBondContact O-CB 3.46Å; H181-L197 PolarHBondContact O-N 3.39Å; L197-N200 PolarHBondContact O-OD1 3.31Å
198R90.6Very high89Confident171 Ų17150 Ų5065%0.64525%0.247SC*.THydrogen-bonded Turntrans-94.5-20.3169.3-59.4173168.9170.4-9.3112.5H181 D196H181-R198 HydrophobicContact CB-CG 4.08Å; H181-R198 VanDerWaalsContact CD2-CD 3.5Å; H181-R198 WeakPolarHBondContact CD2-CD 3.41Å; H181-R198 VanDerWaalsContact CE1-CZ 3.44Å; H181-R198 PolarHBondContact CE1-NH1 2.92Å; H181-R198 PolarHBondContact NE2-NH1 2.91Å; D196-R198 PolarHBondContact O-N 2.88Å; D196-R198 VanDerWaalsContact O-N 3.12Å; D196-R198 WeakPolarHBondContact OD1-CA 3.37Å; D196-R198 VanDerWaalsContact OD1-CB 3.27Å; D196-R198 WeakPolarHBondContact OD1-CB 3.23Å; D196-R198 PolarHBondContact OD1-N 3.13Å
199K87.4Confident88.2Confident121 Ų12155.3 Ų55.353%0.52627%0.267SS..THydrogen-bonded Turntrans-103.8-25.3177.1-61.3-176.6-174.9112.80112.9D196 E201D196-K199 HydrophobicContact CB-CB 4.15Å; D196-K199 HydrophobicContact CB-CD 4.27Å; D196-K199 HydrophobicContact CB-CG 4.2Å; D196-K199 PolarHBondContact O-N 2.88Å; D196-K199 WeakPolarHBondContact OD2-CD 3.39Å; D196-K199 WeakPolarHBondContact OD2-CE 3.33Å; D196-K199 WeakPolarHBondContact OD2-CG 3.34Å; D196-K199 IonicContact OD2-NZ 3.36Å; D196-K199 PolarHBondContact OD2-NZ 3.21Å; K199-E201 VanDerWaalsContact C-N 3.31Å; K199-E201 HydrophobicContact CB-CB 4.21Å; K199-E201 HydrophobicContact CB-CG 4.42Å
200N87.3Confident87.4Confident71 Ų7156.4 Ų56.438%0.3828%0.275SS..THydrogen-bonded Turntrans58.943.3-167.9-53.8-26.7000111.8M158 P160 G161 D196 L197M158-N200 WeakPolarHBondContact CE-OD1 3.49Å; P160-N200 CarbonylContact O-C 2.99Å; P160-N200 WeakPolarHBondContact O-CA 3.29Å; G161-N200 WeakPolarHBondContact CA-O 3.17Å; D196-N200 PolarHBondContact O-N 3.19Å; L197-N200 PolarHBondContact O-OD1 3.31Å
201E87Confident86.8Confident120 Ų12060.3 Ų60.356%0.56129%0.294SS*.EExtended strand (participates in β ladder)trans-137.1146.7-179-69-173.8147.200112.1P160 D196 K199 I203P160-E201 PolarHBondContact O-N 3.42Å; D196-E201 PolarHBondContact N-O 2.99Å; K199-E201 VanDerWaalsContact C-N 3.31Å; K199-E201 HydrophobicContact CB-CB 4.21Å; K199-E201 HydrophobicContact CB-CG 4.42Å; E201-I203 PolarHBondContact O-N 2.96Å
202P89.6Confident86Confident48 Ų4865.9 Ų65.931%0.31231%0.314SS..EExtended strand (participates in β ladder)trans-75.111717030.3-31.9000110.5V193 V194 W195V193-P202 HydrophobicContact CG1-CB 3.43Å; V193-P202 VanDerWaalsContact CG1-CB 3.43Å; V194-P202 CarbonylContact O-C 3.55Å; W195-P202 HydrophobicContact CD2-CB 4.22Å; W195-P202 HydrophobicContact CE3-CB 3.8Å; W195-P202 HydrophobicContact CE3-CG 4.33Å; W195-P202 HydrophobicContact CH2-CB 4.27Å; W195-P202 HydrophobicContact CZ3-CB 3.84Å; W195-P202 HydrophobicContact CZ3-CG 4Å
203I89.7Confident85.7Confident81 Ų8166 Ų6642%0.41531%0.314SS..EExtended strand (participates in β ladder)trans-81-48.3-175.5-30.1169.1000111.9I182 V194 D196 E201I182-I203 HydrophobicContact CD1-CD1 3.7Å; V194-I203 HydrophobicContact CG1-CD1 4.31Å; V194-I203 PolarHBondContact O-N 3.22Å; D196-I203 HydrophobicContact CB-CD1 3.67Å; D196-I203 HydrophobicContact CB-CG1 3.7Å; E201-I203 PolarHBondContact O-N 2.96Å
204I91.3Very high85.4Confident41 Ų4170.3 Ų70.321%0.2133%0.334CS..EExtended strand (participates in β ladder)trans-135.3134.5-168.9-61.4173000108.1V193 V194 I206 L245 A248V193-I204 WeakPolarHBondContact CA-O 3.45Å; V194-I204 HydrophobicContact CB-CB 4.24Å; V194-I204 HydrophobicContact CG2-CB 4.46Å; V194-I204 PolarHBondContact N-O 2.95Å; V194-I204 PolarHBondContact O-N 3.39Å; I204-I206 HydrophobicContact CG2-CG1 4.08Å; I204-L245 HydrophobicContact CD1-CB 3.86Å; I204-L245 HydrophobicContact CD1-CD1 4.41Å; I204-L245 HydrophobicContact CD1-CD2 4.36Å; I204-L245 HydrophobicContact CD1-CG 4.43Å; I204-L245 HydrophobicContact CG2-CD2 4.33Å; I204-A248 HydrophobicContact CG2-CB 3.63Å
205K90.3Very high85.1Confident137 Ų13770.4 Ų70.460%0.59634%0.335SS*.EExtended strand (participates in β ladder)trans-111.4127.4170.7-60.2-176.6-179179.60108.2V193V193-K205 HydrophobicContact CG1-CG 4.47Å; V193-K205 HydrophobicContact CG2-CG 4.24Å
206I90.7Very high84.9Confident2 Ų271.3 Ų71.31%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-112.5129.3-179-51.6173.1000106.6K191 A192 V194 I204 L228 L230 W243 L245K191-I206 CarbonylContact C-O 3.6Å; K191-I206 WeakPolarHBondContact CA-O 3.04Å; A192-I206 HydrophobicContact CB-CB 4.27Å; A192-I206 PolarHBondContact N-O 3.43Å; A192-I206 PolarHBondContact O-N 3.32Å; V194-I206 HydrophobicContact CG2-CD1 4.2Å; I204-I206 HydrophobicContact CG2-CG1 4.08Å; I206-L228 HydrophobicContact CD1-CD1 4.08Å; I206-L228 HydrophobicContact CD1-CD2 3.87Å; I206-L228 HydrophobicContact CD1-CG 4.31Å; I206-L230 HydrophobicContact CG2-CD1 4.25Å; I206-W243 HydrophobicContact CG2-CD2 3.41Å; I206-W243 VanDerWaalsContact CG2-CD2 3.41Å; I206-W243 HydrophobicContact CG2-CE3 3.51Å; I206-W243 HydrophobicContact CG2-CG 3.97Å; I206-W243 HydrophobicContact CG2-CH2 3.88Å; I206-W243 HydrophobicContact CG2-CZ2 3.82Å; I206-W243 HydrophobicContact CG2-CZ3 3.72Å; I206-L245 HydrophobicContact CD1-CD2 3.56Å; I206-L245 HydrophobicContact CG1-CD2 4.29Å
207S86.1Confident84.8Confident53 Ų5371.1 Ų71.137%0.37134%0.342SS..  trans-154.8130.8174.955.20000109.3
208D78.3Confident85Confident31 Ų3170.1 Ų70.117%0.16634%0.337CS..  trans-60.8140.4169.3178.229.7000110.8S210 N211D208-S210 PolarHBondContact O-N 3.24Å; D208-S210 VanDerWaalsContact O-N 3.1Å; D208-S210 VanDerWaalsContact OD2-CB 3.25Å; D208-S210 WeakPolarHBondContact OD2-CB 3.3Å; D208-S210 PolarHBondContact OD2-OG 2.9Å; D208-N211 PolarHBondContact O-N 3.39Å
209H71.1Confident85.2Confident161 Ų16163.6 Ų63.675%0.74532%0.315SS*.THydrogen-bonded Turntrans-59.8-20.4179.4-75.927.9000113.4T249H209-T249 PolarHBondContact CE1-O 3.34Å
210S68.9Low85.6Confident43 Ų4358 Ų5830%0.30129%0.29SS..THydrogen-bonded Turntrans-74.2-29.1174.277.90000113.8D208 R212D208-S210 PolarHBondContact O-N 3.24Å; D208-S210 VanDerWaalsContact O-N 3.1Å; D208-S210 VanDerWaalsContact OD2-CB 3.25Å; D208-S210 WeakPolarHBondContact OD2-CB 3.3Å; D208-S210 PolarHBondContact OD2-OG 2.9Å; S210-R212 PolarHBondContact O-N 3.22Å; S210-R212 PolarHBondContact OG-N 3.2Å
211N69.7Low86Confident86 Ų8654.9 Ų54.946%0.4627%0.273SS..SBendtrans41.839.9-161-156.2110.4000113K191 D208K191-N211 WeakPolarHBondContact CE-OD1 3.49Å; D208-N211 PolarHBondContact O-N 3.39Å
212R72.7Confident86.3Confident170 Ų17049.4 Ų49.464%0.64225%0.248SC*.  trans-113.9-21.9176.2-69.5171.8-171.9-155.8-1.4113.9S210 H214S210-R212 PolarHBondContact O-N 3.22Å; S210-R212 PolarHBondContact OG-N 3.2Å; R212-H214 PolarHBondContact O-N 2.89Å
213M83.8Confident86.4Confident3 Ų351.2 Ų51.22%0.01526%0.255CS..  trans-63.7115.1178.6-165.8-17374.300110.4S189 G190 L230 S232 Q241S189-M213 CarbonylContact C-O 3.02Å; G190-M213 WeakPolarHBondContact CA-O 3.22Å; G190-M213 PolarHBondContact N-O 2.84Å; M213-L230 HydrophobicContact CE-CB 3.79Å; M213-L230 HydrophobicContact CE-CD1 3.97Å; M213-S232 VanDerWaalsContact CG-CB 3.42Å; M213-S232 WeakPolarHBondContact CG-OG 3.27Å; M213-Q241 HydrophobicContact SD-CB 4.47Å; M213-Q241 HydrophobicContact SD-CG 3.85Å
214H87.1Confident86.6Confident97 Ų9749.6 Ų49.645%0.44925%0.249SC..  trans-84.7126.2171.2-78.9-71.5000110.4P188 R212 S232 E233P188-H214 WeakPolarHBondContact O-CA 3.47Å; P188-H214 PolarHBondContact O-ND1 3.02Å; R212-H214 PolarHBondContact O-N 2.89Å; H214-S232 CarbonylContact O-C 3.6Å; H214-S232 WeakPolarHBondContact O-CA 3.5Å; H214-S232 PolarHBondContact O-OG 3.38Å; H214-E233 HydrophobicContact CB-CB 4.31Å; H214-E233 PolarHBondContact O-N 3.42Å
215C88.4Confident86.7Confident4 Ų449.4 Ų49.43%0.02725%0.253CS..EExtended strand (participates in β ladder)trans-93.5109.8-172.8-173.20000113.2S171 A186 P188S171-C215 WeakPolarHBondContact CB-O 3.17Å; S171-C215 PolarHBondContact OG-O 3.49Å; A186-C215 HydrophobicContact CB-CB 4.34Å; P188-C215 PolarHBondContact O-N 3.21Å
216S89.4Confident86.8Confident23 Ų2345 Ų4516%0.16124%0.238CC..EExtended strand (participates in β ladder)trans-92.9-34.5174.446.50000114V172 A231 I262V172-S216 WeakPolarHBondContact CG2-O 3.45Å; S216-A231 PolarHBondContact N-O 2.92Å; S216-A231 PolarHBondContact OG-O 3.25Å; S216-I262 VanDerWaalsContact CB-O 3.31Å; S216-I262 WeakPolarHBondContact CB-O 3.48Å; S216-I262 PolarHBondContact OG-O 2.85Å
217G90.1Very high87Confident7 Ų746 Ų467%0.07224%0.243CC..EExtended strand (participates in β ladder)trans-139141.1-172.900000112.4L230 A231G217-L230 CarbonylContact O-C 3.58Å; G217-L230 WeakPolarHBondContact O-CA 3.08Å; G217-A231 PolarHBondContact O-N 3.07Å
218M94.4Very high87.4Confident3 Ų343.5 Ų43.52%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-144.1132.3176.5173177.760.900110.8V172 A184 A186 A192 V229 L230V172-M218 HydrophobicContact CB-CB 4.12Å; V172-M218 HydrophobicContact CB-CE 4.31Å; V172-M218 HydrophobicContact CG1-CB 3.9Å; V172-M218 HydrophobicContact CG1-CE 4.34Å; A184-M218 HydrophobicContact CB-CE 3.73Å; A184-M218 HydrophobicContact CB-SD 3.58Å; A184-M218 VanDerWaalsContact CB-SD 3.58Å; A184-M218 WeakPolarHBondContact O-CE 3.2Å; A186-M218 HydrophobicContact CB-CB 4.42Å; A186-M218 HydrophobicContact CB-CE 3.9Å; A186-M218 HydrophobicContact CB-SD 3.99Å; A192-M218 HydrophobicContact CB-SD 4.18Å; M218-V229 VanDerWaalsContact CA-O 3.24Å; M218-V229 WeakPolarHBondContact CA-O 3.23Å; M218-L230 HydrophobicContact CB-CD2 3.78Å; M218-L230 HydrophobicContact CG-CD2 3.58Å; M218-L230 HydrophobicContact SD-CD2 3.74Å
219L95.8Very high88.2Confident33 Ų3342 Ų4217%0.17322%0.217CC..EExtended strand (participates in β ladder)trans-143.8143179-68.4175.8000112.2L228 V229 I265 W267L219-L228 CarbonylContact O-C 3.53Å; L219-L228 VanDerWaalsContact O-CA 3.32Å; L219-L228 WeakPolarHBondContact O-CA 3.35Å; L219-L228 WeakPolarHBondContact O-CB 3.39Å; L219-V229 PolarHBondContact N-O 3.21Å; L219-V229 PolarHBondContact O-N 2.98Å; L219-I265 HydrophobicContact CB-CD1 4.3Å; L219-I265 HydrophobicContact CD1-CB 4.37Å; L219-I265 HydrophobicContact CD1-CD1 4Å; L219-I265 HydrophobicContact CD1-CG1 3.85Å; L219-I265 HydrophobicContact CG-CD1 3.96Å; L219-I265 HydrophobicContact CG-CG1 4.1Å; L219-W267 HydrophobicContact CB-CE3 4.36Å; L219-W267 HydrophobicContact CD1-CB 3.98Å
220W96.3Very high89.3Confident3 Ų334.3 Ų34.31%0.01118%0.182CC..EExtended strand (participates in β ladder)trans-78.5148.1168.9-67.591.4000112.1S174 N176 R177 I182 A184 V194 A225 L228 L245S174-W220 PolarHBondContact O-NE1 3.24Å; N176-W220 HydrophobicContact CB-CD2 3.98Å; N176-W220 HydrophobicContact CB-CE3 4.31Å; N176-W220 HydrophobicContact CB-CG 4.37Å; N176-W220 HydrophobicContact CB-CH2 4.42Å; N176-W220 HydrophobicContact CB-CZ2 4.12Å; N176-W220 WeakPolarHBondContact ND2-CH2 3.33Å; N176-W220 WeakPolarHBondContact ND2-CZ3 3.45Å; R177-W220 HydrophobicContact CG-CB 4.41Å; I182-W220 HydrophobicContact CG2-CH2 3.55Å; I182-W220 HydrophobicContact CG2-CZ2 3.69Å; A184-W220 HydrophobicContact CB-CZ2 3.73Å; V194-W220 HydrophobicContact CG1-CH2 3.89Å; V194-W220 HydrophobicContact CG1-CZ2 4.17Å; V194-W220 HydrophobicContact CG2-CH2 4.34Å; W220-A225 WeakPolarHBondContact CZ3-O 3.39Å; W220-L228 HydrophobicContact CD2-CB 4.21Å; W220-L228 HydrophobicContact CE3-CB 4.04Å; W220-L228 HydrophobicContact CE3-CD2 4.37Å; W220-L228 HydrophobicContact CH2-CD2 4.2Å; W220-L228 HydrophobicContact CZ2-CD2 4.31Å; W220-L228 HydrophobicContact CZ3-CD2 4.21Å; W220-L245 HydrophobicContact CH2-CD1 3.57Å; W220-L245 HydrophobicContact CZ3-CD1 3.56Å
221H95.2Very high90.5Very high6 Ų632.3 Ų32.33%0.02817%0.167CC..  trans-65127.4170.7-174.1-60.2000109.6D223 V224 Q227 W267 S272H221-D223 IonicContact CE1-OD2 2.73Å; H221-D223 PolarHBondContact ND1-N 3.12Å; H221-D223 PolarHBondContact O-N 3.4Å; H221-V224 HydrophobicContact CB-CB 4.16Å; H221-V224 PolarHBondContact ND1-N 2.85Å; H221-V224 PolarHBondContact O-N 2.88Å; H221-Q227 HydrophobicContact CB-CB 3.76Å; H221-Q227 WeakPolarHBondContact CB-O 3.16Å; H221-Q227 PolarHBondContact N-O 3.36Å; H221-W267 VanDerWaalsContact CA-CZ3 3.45Å; H221-W267 HydrophobicContact CB-CH2 3.55Å; H221-W267 HydrophobicContact CB-CZ2 4.08Å; H221-W267 HydrophobicContact CB-CZ3 3.85Å; H221-W267 AromaticContact CD2-CH2 3.43Å; H221-W267 VanDerWaalsContact CD2-CH2 3.43Å; H221-W267 WeakPolarHBondContact CD2-CH2 3.47Å; H221-W267 AromaticContact CD2-CZ2 3.33Å; H221-W267 WeakPolarHBondContact CD2-CZ2 3.43Å; H221-W267 AromaticContact CG-CH2 3.68Å; H221-W267 AromaticContact CG-CZ2 3.74Å; H221-W267 AromaticContact NE2-CZ2 3.95Å; H221-S272 WeakPolarHBondContact CE1-CB 3.1Å
222P92.4Very high91.5Very high6 Ų628.2 Ų28.24%0.03915%0.146CC..THydrogen-bonded Turntrans-62.2-43.6-17321.7-31.4000112.7Q178 W267Q178-P222 WeakPolarHBondContact CG-O 3.49Å; Q178-P222 PolarHBondContact NE2-O 3.44Å; P222-W267 HydrophobicContact CG-CG 4.42Å
223D91.8Very high92.4Very high85 Ų8523.9 Ų23.946%0.45513%0.133SC..THydrogen-bonded Turntrans-86.2-11.9-179.2-42.9-34.9000115.3H221 S272 K387H221-D223 IonicContact CE1-OD2 2.73Å; H221-D223 PolarHBondContact ND1-N 3.12Å; H221-D223 PolarHBondContact O-N 3.4Å; D223-S272 WeakPolarHBondContact OD2-CB 3.35Å; D223-S272 PolarHBondContact OD2-OG 3.48Å; D223-K387 IonicContact OD2-NZ 2.68Å
224V94.3Very high92.7Very high48 Ų4825.2 Ų25.229%0.29114%0.14SC..  trans-132.3106.9-162.4-179.70000112H221 T226 Q227H221-V224 HydrophobicContact CB-CB 4.16Å; H221-V224 PolarHBondContact ND1-N 2.85Å; H221-V224 PolarHBondContact O-N 2.88Å; V224-T226 PolarHBondContact O-N 2.96Å; V224-T226 VanDerWaalsContact O-N 3.1Å; V224-Q227 HydrophobicContact CB-CB 4.34Å; V224-Q227 HydrophobicContact CG1-CB 4.03Å; V224-Q227 HydrophobicContact CG1-CG 3.8Å; V224-Q227 PolarHBondContact O-N 3.35Å
225A93.2Very high92.8Very high36 Ų3624.4 Ų24.430%0.29814%0.139SC..THydrogen-bonded Turntrans-57.8-25.5-174.800000115.9N176 Q178 V179 W220N176-A225 PolarHBondContact ND2-O 3.37Å; Q178-A225 HydrophobicContact CB-CB 3.81Å; V179-A225 HydrophobicContact CG2-CB 3.65Å; W220-A225 WeakPolarHBondContact CZ3-O 3.39Å
226T93.5Very high92.8Very high45 Ų4534.8 Ų34.828%0.27618%0.178SC..THydrogen-bonded Turntrans-99.64.6-176.772.40000114V224 D244 L245 R246V224-T226 PolarHBondContact O-N 2.96Å; V224-T226 VanDerWaalsContact O-N 3.1Å; T226-D244 CarbonylContact O-C 3.48Å; T226-D244 WeakPolarHBondContact O-CA 3.41Å; T226-D244 PolarHBondContact OG1-OD1 3.4Å; T226-L245 WeakPolarHBondContact O-CG 3.22Å; T226-L245 PolarHBondContact O-N 3.47Å; T226-R246 HydrophobicContact CG2-CG 4.22Å
227Q94.9Very high92.7Very high23 Ų2337 Ų3711%0.10719%0.185CC..EExtended strand (participates in β ladder)trans-118.3136.3-173.9-71.3177.9-4.200112.2H221 V224 M242 W243 D244H221-Q227 HydrophobicContact CB-CB 3.76Å; H221-Q227 WeakPolarHBondContact CB-O 3.16Å; H221-Q227 PolarHBondContact N-O 3.36Å; V224-Q227 HydrophobicContact CB-CB 4.34Å; V224-Q227 HydrophobicContact CG1-CB 4.03Å; V224-Q227 HydrophobicContact CG1-CG 3.8Å; V224-Q227 PolarHBondContact O-N 3.35Å; Q227-M242 HydrophobicContact CB-CE 4.24Å; Q227-M242 HydrophobicContact CG-CE 4.32Å; Q227-W243 WeakPolarHBondContact CA-O 3.34Å; Q227-D244 HydrophobicContact CG-CB 4.17Å; Q227-D244 PolarHBondContact NE2-OD2 3.5Å
228L94.9Very high92.7Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-141.2166.6174.266.177.6000111.1A184 V194 I206 L219 W220 L230 M242 W243 L245A184-L228 HydrophobicContact CB-CD2 4.36Å; V194-L228 HydrophobicContact CG2-CD2 4.32Å; I206-L228 HydrophobicContact CD1-CD1 4.08Å; I206-L228 HydrophobicContact CD1-CD2 3.87Å; I206-L228 HydrophobicContact CD1-CG 4.31Å; L219-L228 CarbonylContact O-C 3.53Å; L219-L228 VanDerWaalsContact O-CA 3.32Å; L219-L228 WeakPolarHBondContact O-CA 3.35Å; L219-L228 WeakPolarHBondContact O-CB 3.39Å; W220-L228 HydrophobicContact CD2-CB 4.21Å; W220-L228 HydrophobicContact CE3-CB 4.04Å; W220-L228 HydrophobicContact CE3-CD2 4.37Å; W220-L228 HydrophobicContact CH2-CD2 4.2Å; W220-L228 HydrophobicContact CZ2-CD2 4.31Å; W220-L228 HydrophobicContact CZ3-CD2 4.21Å; L228-L230 HydrophobicContact CD1-CD2 4.04Å; L228-L230 HydrophobicContact CD1-CG 3.97Å; L228-M242 WeakPolarHBondContact O-CA 3.42Å; L228-W243 HydrophobicContact CD1-CB 4.12Å; L228-W243 PolarHBondContact N-O 3.39Å; L228-W243 VanDerWaalsContact N-O 3.08Å; L228-W243 PolarHBondContact O-N 3.08Å; L228-L245 HydrophobicContact CD2-CD2 4.22Å
229V94.9Very high92.6Very high0 Ų038.2 Ų38.20%019%0.192CC..EExtended strand (participates in β ladder)trans-125.9137.6-179.4160.60000109M218 L219 I240 Q241 M242 I265 W267 L275M218-V229 VanDerWaalsContact CA-O 3.24Å; M218-V229 WeakPolarHBondContact CA-O 3.23Å; L219-V229 PolarHBondContact N-O 3.21Å; L219-V229 PolarHBondContact O-N 2.98Å; V229-I240 HydrophobicContact CG1-CG2 3.23Å; V229-Q241 CarbonylContact C-O 3.51Å; V229-Q241 WeakPolarHBondContact CA-O 3.45Å; V229-M242 HydrophobicContact CG2-CB 4.03Å; V229-M242 HydrophobicContact CG2-CG 4.03Å; V229-I265 HydrophobicContact CG1-CD1 3.82Å; V229-W267 HydrophobicContact CB-CE3 4.5Å; V229-W267 HydrophobicContact CB-CZ3 3.99Å; V229-W267 HydrophobicContact CG2-CE3 4.26Å; V229-W267 HydrophobicContact CG2-CH2 3.84Å; V229-W267 HydrophobicContact CG2-CZ3 3.44Å; V229-W267 VanDerWaalsContact CG2-CZ3 3.44Å; V229-L275 HydrophobicContact CG1-CD2 4.28Å
230L93.4Very high92.6Very high0 Ų036.6 Ų36.60%018%0.183CC..EExtended strand (participates in β ladder)trans-117.5137.6170.3-57.5177.7000109A192 I206 M213 G217 M218 L228 I240 Q241A192-L230 HydrophobicContact CB-CD1 4.1Å; A192-L230 HydrophobicContact CB-CD2 3.97Å; I206-L230 HydrophobicContact CG2-CD1 4.25Å; M213-L230 HydrophobicContact CE-CB 3.79Å; M213-L230 HydrophobicContact CE-CD1 3.97Å; G217-L230 CarbonylContact O-C 3.58Å; G217-L230 WeakPolarHBondContact O-CA 3.08Å; M218-L230 HydrophobicContact CB-CD2 3.78Å; M218-L230 HydrophobicContact CG-CD2 3.58Å; M218-L230 HydrophobicContact SD-CD2 3.74Å; L228-L230 HydrophobicContact CD1-CD2 4.04Å; L228-L230 HydrophobicContact CD1-CG 3.97Å; L230-I240 CarbonylContact O-C 3.6Å; L230-I240 WeakPolarHBondContact O-CA 3.31Å; L230-Q241 PolarHBondContact N-O 2.41Å; L230-Q241 PolarHBondContact O-N 3Å
231A93.6Very high92.4Very high0 Ų037 Ų370%019%0.185CC..EExtended strand (participates in β ladder)trans-113.1140.2177.300000111.5S216 G217 I262 I265S216-A231 PolarHBondContact N-O 2.92Å; S216-A231 PolarHBondContact OG-O 3.25Å; G217-A231 PolarHBondContact O-N 3.07Å; A231-I262 HydrophobicContact CB-CB 4.33Å; A231-I262 HydrophobicContact CB-CG2 3.99Å; A231-I265 HydrophobicContact CB-CD1 4.12Å; A231-I265 HydrophobicContact CB-CG1 4.42Å; A231-I265 HydrophobicContact CB-CG2 3.66Å
232S92.4Very high92.3Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-97128.1-177.8-162.70000114.6M213 H214 D234 Q237 V239 I262M213-S232 VanDerWaalsContact CG-CB 3.42Å; M213-S232 WeakPolarHBondContact CG-OG 3.27Å; H214-S232 CarbonylContact O-C 3.6Å; H214-S232 WeakPolarHBondContact O-CA 3.5Å; H214-S232 PolarHBondContact O-OG 3.38Å; S232-D234 PolarHBondContact OG-N 3.42Å; S232-Q237 WeakPolarHBondContact CB-O 3.48Å; S232-Q237 PolarHBondContact OG-O 2.89Å; S232-V239 WeakPolarHBondContact CB-O 3.46Å; S232-V239 PolarHBondContact N-O 3.35Å; S232-I262 WeakPolarHBondContact O-CB 3.47Å; S232-I262 PolarHBondContact O-N 3.26Å
233E91.3Very high92.4Very high80 Ų8036.7 Ų36.737%0.37418%0.183SC..  trans-86.5-6.6173.7-143-147.5121.400114.4H214 D235 G261 I262 L263 K280H214-E233 HydrophobicContact CB-CB 4.31Å; H214-E233 PolarHBondContact O-N 3.42Å; E233-D235 PolarHBondContact O-N 2.96Å; E233-G261 WeakPolarHBondContact O-CA 3.47Å; E233-I262 WeakPolarHBondContact CA-O 3.5Å; E233-I262 WeakPolarHBondContact CG-O 3.16Å; E233-L263 HydrophobicContact CG-CD2 4.26Å; E233-K280 PolarHBondContact O-NZ 3.02Å; E233-K280 VanDerWaalsContact OE1-CE 3.29Å; E233-K280 WeakPolarHBondContact OE1-CE 3.36Å; E233-K280 IonicContact OE1-NZ 3.19Å; E233-K280 PolarHBondContact OE1-NZ 2.97Å
234D89.5Confident92.5Very high30 Ų3032.9 Ų32.916%0.1616%0.163CC..  trans-76.1122.5179.2-176.46.6000110.5S232 R236 Q237S232-D234 PolarHBondContact OG-N 3.42Å; D234-R236 PolarHBondContact O-N 3.43Å; D234-R236 VanDerWaalsContact O-N 3.11Å; D234-R236 WeakPolarHBondContact OD1-CB 3.34Å; D234-R236 WeakPolarHBondContact OD1-CG 3.48Å; D234-R236 PolarHBondContact OD1-N 2.88Å; D234-R236 WeakPolarHBondContact OD2-CB 3.26Å; D234-Q237 CarbonylContact O-C 3.54Å; D234-Q237 VanDerWaalsContact O-C 3.28Å; D234-Q237 PolarHBondContact O-N 3.37Å; D234-Q237 VanDerWaalsContact O-N 3.09Å
235D90.1Very high92.4Very high81 Ų8131.8 Ų31.843%0.43316%0.156SC..THydrogen-bonded Turntrans-58.9-20.5174-73.7-16.1000113.1E233 R260 G261 K280E233-D235 PolarHBondContact O-N 2.96Å; D235-R260 WeakPolarHBondContact OD1-CB 3.33Å; D235-G261 PolarHBondContact OD1-N 3.28Å; D235-K280 WeakPolarHBondContact OD1-CD 3.34Å
236R87.8Confident92.3Very high222 Ų22237.7 Ų37.784%0.83817%0.17SC*.THydrogen-bonded Turntrans-85-22.7177.8-55.1170.9172.7-174.9-1.2113.7D234D234-R236 PolarHBondContact O-N 3.43Å; D234-R236 VanDerWaalsContact O-N 3.11Å; D234-R236 WeakPolarHBondContact OD1-CB 3.34Å; D234-R236 WeakPolarHBondContact OD1-CG 3.48Å; D234-R236 PolarHBondContact OD1-N 2.88Å; D234-R236 WeakPolarHBondContact OD2-CB 3.26Å
237Q86.8Confident92.1Very high69 Ų6942.5 Ų42.532%0.32219%0.188SC..SBendtrans-14063.3180-64-167.2-54.800110.7S232 D234 V239S232-Q237 WeakPolarHBondContact CB-O 3.48Å; S232-Q237 PolarHBondContact OG-O 2.89Å; D234-Q237 CarbonylContact O-C 3.54Å; D234-Q237 VanDerWaalsContact O-C 3.28Å; D234-Q237 PolarHBondContact O-N 3.37Å; D234-Q237 VanDerWaalsContact O-N 3.09Å; Q237-V239 PolarHBondContact O-N 3.26Å
238P91.1Very high91.7Very high20 Ų2042.7 Ų42.713%0.1319%0.193CC..  trans-77.362.7-173.935.2-39.8000112.4H258 R260P238-H258 HydrophobicContact CB-CB 4.22Å; P238-H258 VanDerWaalsContact CG-O 3.29Å; P238-H258 WeakPolarHBondContact CG-O 3.34Å; P238-R260 WeakPolarHBondContact CB-O 3.14Å
239V92.3Very high91.3Very high15 Ų1547.3 Ų47.39%0.09122%0.221CC..  trans-112154.4-171.3-55.10000112S232 Q237 Q241 V254 L255 E256S232-V239 WeakPolarHBondContact CB-O 3.46Å; S232-V239 PolarHBondContact N-O 3.35Å; Q237-V239 PolarHBondContact O-N 3.26Å; V239-Q241 HydrophobicContact CG2-CG 4.07Å; V239-V254 HydrophobicContact CB-CG1 3.73Å; V239-V254 HydrophobicContact CG1-CG1 4.11Å; V239-V254 HydrophobicContact CG2-CG1 4.11Å; V239-L255 WeakPolarHBondContact CA-O 3.46Å; V239-E256 HydrophobicContact CG1-CG 3.89Å
240I94.3Very high91Very high0 Ų050.3 Ų50.30%024%0.242CC..EExtended strand (participates in β ladder)trans-108.4121.4167-51.6177.1000107.8V229 L230 V254 L255 I262 I265 L275 W287V229-I240 HydrophobicContact CG1-CG2 3.23Å; L230-I240 CarbonylContact O-C 3.6Å; L230-I240 WeakPolarHBondContact O-CA 3.31Å; I240-V254 CarbonylContact O-C 3.59Å; I240-V254 WeakPolarHBondContact O-CA 3.42Å; I240-L255 HydrophobicContact CB-CB 4Å; I240-L255 HydrophobicContact CB-CD1 4.03Å; I240-L255 HydrophobicContact CB-CG 4.17Å; I240-L255 HydrophobicContact CD1-CD1 4.35Å; I240-L255 HydrophobicContact CG2-CD1 4.15Å; I240-L255 PolarHBondContact N-O 3.27Å; I240-L255 VanDerWaalsContact N-O 3.15Å; I240-L255 PolarHBondContact O-N 2.65Å; I240-I262 HydrophobicContact CD1-CD1 3.99Å; I240-I262 HydrophobicContact CG1-CD1 3.31Å; I240-I265 HydrophobicContact CD1-CG2 4.4Å; I240-L275 HydrophobicContact CD1-CD2 4.46Å; I240-L275 HydrophobicContact CG2-CD2 4.32Å; I240-W287 HydrophobicContact CD1-CZ2 4.29Å
241Q93.1Very high90.9Very high11 Ų1152 Ų525%0.05125%0.253CS..EExtended strand (participates in β ladder)trans-103.2120.3178.9-63.2-172.1-3.500110.5M213 V229 L230 V239 W243 P251 V254M213-Q241 HydrophobicContact SD-CB 4.47Å; M213-Q241 HydrophobicContact SD-CG 3.85Å; V229-Q241 CarbonylContact C-O 3.51Å; V229-Q241 WeakPolarHBondContact CA-O 3.45Å; L230-Q241 PolarHBondContact N-O 2.41Å; L230-Q241 PolarHBondContact O-N 3Å; V239-Q241 HydrophobicContact CG2-CG 4.07Å; Q241-W243 VanDerWaalsContact OE1-CZ2 3.32Å; Q241-P251 HydrophobicContact CB-CB 4.11Å; Q241-V254 HydrophobicContact CG-CG1 4.47Å; Q241-V254 HydrophobicContact CG-CG2 4.44Å
242M93.9Very high90.8Very high4 Ų456.8 Ų56.82%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-93.1129.6170.8-174.3178.6178.100109.2Q227 L228 V229 P251 L252 K253 W267 P289Q227-M242 HydrophobicContact CB-CE 4.24Å; Q227-M242 HydrophobicContact CG-CE 4.32Å; L228-M242 WeakPolarHBondContact O-CA 3.42Å; V229-M242 HydrophobicContact CG2-CB 4.03Å; V229-M242 HydrophobicContact CG2-CG 4.03Å; M242-P251 CarbonylContact O-C 3.43Å; M242-P251 WeakPolarHBondContact O-CA 3.18Å; M242-P251 WeakPolarHBondContact O-CB 3.42Å; M242-L252 HydrophobicContact CE-CD2 4.23Å; M242-L252 PolarHBondContact O-N 3.24Å; M242-L252 HydrophobicContact SD-CD2 4.48Å; M242-K253 HydrophobicContact CB-CB 4.12Å; M242-K253 PolarHBondContact N-O 3.32Å; M242-K253 PolarHBondContact O-N 3.05Å; M242-W267 HydrophobicContact CE-CH2 4.43Å; M242-P289 HydrophobicContact SD-CB 4.3Å
243W93.8Very high90.7Very high1 Ų159.9 Ų59.90%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-120.2144.9-176.8-68.582.3000110.8I206 Q227 L228 Q241 A248 S250 P251I206-W243 HydrophobicContact CG2-CD2 3.41Å; I206-W243 VanDerWaalsContact CG2-CD2 3.41Å; I206-W243 HydrophobicContact CG2-CE3 3.51Å; I206-W243 HydrophobicContact CG2-CG 3.97Å; I206-W243 HydrophobicContact CG2-CH2 3.88Å; I206-W243 HydrophobicContact CG2-CZ2 3.82Å; I206-W243 HydrophobicContact CG2-CZ3 3.72Å; Q227-W243 WeakPolarHBondContact CA-O 3.34Å; L228-W243 HydrophobicContact CD1-CB 4.12Å; L228-W243 PolarHBondContact N-O 3.39Å; L228-W243 VanDerWaalsContact N-O 3.08Å; L228-W243 PolarHBondContact O-N 3.08Å; Q241-W243 VanDerWaalsContact OE1-CZ2 3.32Å; W243-A248 WeakPolarHBondContact CZ3-O 3.34Å; W243-S250 VanDerWaalsContact CE3-C 3.49Å; W243-P251 HydrophobicContact CD2-CB 4.15Å; W243-P251 HydrophobicContact CG-CB 4.49Å; W243-P251 HydrophobicContact CZ2-CB 4.27Å; W243-P251 HydrophobicContact CZ2-CG 4.39Å
244D93.8Very high90.8Very high6 Ų658.8 Ų58.83%0.03229%0.29CS..EExtended strand (participates in β ladder)trans-115.5120.1169.3-163.4-41.8000108.8T226 Q227 R246 F247 A248 L252T226-D244 CarbonylContact O-C 3.48Å; T226-D244 WeakPolarHBondContact O-CA 3.41Å; T226-D244 PolarHBondContact OG1-OD1 3.4Å; Q227-D244 HydrophobicContact CG-CB 4.17Å; Q227-D244 PolarHBondContact NE2-OD2 3.5Å; D244-R246 PolarHBondContact O-N 3.01Å; D244-R246 VanDerWaalsContact O-N 3.07Å; D244-R246 WeakPolarHBondContact OD1-CB 3.47Å; D244-R246 WeakPolarHBondContact OD1-CG 3.39Å; D244-R246 IonicContact OD1-CZ 2.72Å; D244-R246 PolarHBondContact OD1-N 3.2Å; D244-R246 IonicContact OD1-NE 3.71Å; D244-R246 PolarHBondContact OD1-NE 3.14Å; D244-R246 IonicContact OD1-NH2 3.6Å; D244-R246 IonicContact OD2-CZ 3.61Å; D244-R246 IonicContact OD2-NE 2.71Å; D244-R246 PolarHBondContact OD2-NE 2.61Å; D244-R246 IonicContact OD2-NH2 2.68Å; D244-R246 PolarHBondContact OD2-NH2 2.9Å; D244-F247 CarbonylContact O-C 3.55Å; D244-F247 VanDerWaalsContact O-C 3.26Å; D244-F247 PolarHBondContact O-N 3.36Å; D244-A248 PolarHBondContact O-N 3.2Å; D244-L252 HydrophobicContact CB-CB 4.49Å; D244-L252 HydrophobicContact CB-CD2 4.34Å
245L92.1Very high91Very high25 Ų2557.6 Ų57.613%0.13128%0.284CS..G310 helixtrans-63.3-16.8-174.7-62.1-175.3000113.5V194 I204 I206 W220 T226 L228 F247V194-L245 HydrophobicContact CG1-CD1 4.26Å; V194-L245 HydrophobicContact CG2-CD1 4.13Å; V194-L245 HydrophobicContact CG2-CD2 3.95Å; I204-L245 HydrophobicContact CD1-CB 3.86Å; I204-L245 HydrophobicContact CD1-CD1 4.41Å; I204-L245 HydrophobicContact CD1-CD2 4.36Å; I204-L245 HydrophobicContact CD1-CG 4.43Å; I204-L245 HydrophobicContact CG2-CD2 4.33Å; I206-L245 HydrophobicContact CD1-CD2 3.56Å; I206-L245 HydrophobicContact CG1-CD2 4.29Å; W220-L245 HydrophobicContact CH2-CD1 3.57Å; W220-L245 HydrophobicContact CZ3-CD1 3.56Å; T226-L245 WeakPolarHBondContact O-CG 3.22Å; T226-L245 PolarHBondContact O-N 3.47Å; L228-L245 HydrophobicContact CD2-CD2 4.22Å; L245-F247 PolarHBondContact O-N 3.46Å
246R91.3Very high91.1Very high160 Ų16060.4 Ų60.460%0.60429%0.294SS*.G310 helixtrans-66.1-24.8171.1-61.7178.3-66.8167.11112.6T226 D244T226-R246 HydrophobicContact CG2-CG 4.22Å; D244-R246 PolarHBondContact O-N 3.01Å; D244-R246 VanDerWaalsContact O-N 3.07Å; D244-R246 WeakPolarHBondContact OD1-CB 3.47Å; D244-R246 WeakPolarHBondContact OD1-CG 3.39Å; D244-R246 IonicContact OD1-CZ 2.72Å; D244-R246 PolarHBondContact OD1-N 3.2Å; D244-R246 IonicContact OD1-NE 3.71Å; D244-R246 PolarHBondContact OD1-NE 3.14Å; D244-R246 IonicContact OD1-NH2 3.6Å; D244-R246 IonicContact OD2-CZ 3.61Å; D244-R246 IonicContact OD2-NE 2.71Å; D244-R246 PolarHBondContact OD2-NE 2.61Å; D244-R246 IonicContact OD2-NH2 2.68Å; D244-R246 PolarHBondContact OD2-NH2 2.9Å
247F88.2Confident91.2Very high146 Ų14653.9 Ų53.964%0.6428%0.276SS*.G310 helixtrans-14052.7-178-61.9-72.1000111D244 L245 T249 S250D244-F247 CarbonylContact O-C 3.55Å; D244-F247 VanDerWaalsContact O-C 3.26Å; D244-F247 PolarHBondContact O-N 3.36Å; L245-F247 PolarHBondContact O-N 3.46Å; F247-T249 PolarHBondContact O-N 2.98Å; F247-S250 PolarHBondContact O-N 2.97Å
248A86.6Confident91.5Very high26 Ų2651.2 Ų51.222%0.21526%0.263CS..THydrogen-bonded Turntrans-6513-174.100000116.2I204 W243 D244I204-A248 HydrophobicContact CG2-CB 3.63Å; W243-A248 WeakPolarHBondContact CZ3-O 3.34Å; D244-A248 PolarHBondContact O-N 3.2Å
249T86.3Confident91.5Very high98 Ų9857.4 Ų57.460%0.60129%0.288SS*.THydrogen-bonded Turntrans-79.4-27.9173.948.40000113.1H209 F247H209-T249 PolarHBondContact CE1-O 3.34Å; F247-T249 PolarHBondContact O-N 2.98Å
250S89Confident91.5Very high63 Ų6362.8 Ų62.844%0.44131%0.307SS..SBendtrans-150.7149.2-175.651.60000111.2W243 F247 L252W243-S250 VanDerWaalsContact CE3-C 3.49Å; F247-S250 PolarHBondContact O-N 2.97Å; S250-L252 PolarHBondContact O-N 3.1Å
251P91.1Very high91.4Very high35 Ų3562.8 Ų62.823%0.22731%0.307CS..  trans-61.9136.8175.426.6-33.9000110.5Q241 M242 W243 K253 V254Q241-P251 HydrophobicContact CB-CB 4.11Å; M242-P251 CarbonylContact O-C 3.43Å; M242-P251 WeakPolarHBondContact O-CA 3.18Å; M242-P251 WeakPolarHBondContact O-CB 3.42Å; W243-P251 HydrophobicContact CD2-CB 4.15Å; W243-P251 HydrophobicContact CG-CB 4.49Å; W243-P251 HydrophobicContact CZ2-CB 4.27Å; W243-P251 HydrophobicContact CZ2-CG 4.39Å; P251-K253 PolarHBondContact O-N 2.99Å; P251-V254 HydrophobicContact CB-CG2 4.32Å; P251-V254 HydrophobicContact CG-CG2 3.97Å
252L91.3Very high91.5Very high100 Ų10062.3 Ų62.352%0.52431%0.305SS..SBendtrans-62.9-34171.3176.666.2000110.9M242 D244 S250M242-L252 HydrophobicContact CE-CD2 4.23Å; M242-L252 PolarHBondContact O-N 3.24Å; M242-L252 HydrophobicContact SD-CD2 4.48Å; D244-L252 HydrophobicContact CB-CB 4.49Å; D244-L252 HydrophobicContact CB-CD2 4.34Å; S250-L252 PolarHBondContact O-N 3.1Å
253K91.7Very high91.4Very high66 Ų6663.6 Ų63.629%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-155.4151.5-179.8-161.7144.6-179.11590111.8M242 P251 L255 N290 T291M242-K253 HydrophobicContact CB-CB 4.12Å; M242-K253 PolarHBondContact N-O 3.32Å; M242-K253 PolarHBondContact O-N 3.05Å; P251-K253 PolarHBondContact O-N 2.99Å; K253-L255 HydrophobicContact CG-CD2 4.24Å; K253-N290 PolarHBondContact NZ-O 2.84Å; K253-T291 WeakPolarHBondContact CE-O 3.4Å; K253-T291 PolarHBondContact NZ-O 2.93Å
254V92.9Very high91.4Very high57 Ų5764.2 Ų64.235%0.34532%0.316SS..EExtended strand (participates in β ladder)trans-124.6138.2173-170.20000108.2V239 I240 Q241 P251 E256V239-V254 HydrophobicContact CB-CG1 3.73Å; V239-V254 HydrophobicContact CG1-CG1 4.11Å; V239-V254 HydrophobicContact CG2-CG1 4.11Å; I240-V254 CarbonylContact O-C 3.59Å; I240-V254 WeakPolarHBondContact O-CA 3.42Å; Q241-V254 HydrophobicContact CG-CG1 4.47Å; Q241-V254 HydrophobicContact CG-CG2 4.44Å; P251-V254 HydrophobicContact CB-CG2 4.32Å; P251-V254 HydrophobicContact CG-CG2 3.97Å; V254-E256 HydrophobicContact CG1-CG 3.83Å
255L93.9Very high91.5Very high5 Ų564.5 Ų64.53%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-113.4122.4179.9-46.1-178.4000109.3V239 I240 K253 L275 W287V239-L255 WeakPolarHBondContact CA-O 3.46Å; I240-L255 HydrophobicContact CB-CB 4Å; I240-L255 HydrophobicContact CB-CD1 4.03Å; I240-L255 HydrophobicContact CB-CG 4.17Å; I240-L255 HydrophobicContact CD1-CD1 4.35Å; I240-L255 HydrophobicContact CG2-CD1 4.15Å; I240-L255 PolarHBondContact N-O 3.27Å; I240-L255 VanDerWaalsContact N-O 3.15Å; I240-L255 PolarHBondContact O-N 2.65Å; K253-L255 HydrophobicContact CG-CD2 4.24Å; L255-L275 HydrophobicContact CD1-CD2 4.27Å; L255-W287 HydrophobicContact CB-CD2 4.42Å; L255-W287 HydrophobicContact CB-CE3 3.92Å; L255-W287 HydrophobicContact CB-CH2 3.77Å; L255-W287 HydrophobicContact CB-CZ2 4.34Å; L255-W287 HydrophobicContact CB-CZ3 3.57Å; L255-W287 HydrophobicContact CD1-CB 4.33Å; L255-W287 HydrophobicContact CD1-CD2 4.09Å; L255-W287 HydrophobicContact CD1-CE3 4.07Å; L255-W287 HydrophobicContact CD1-CG 4.26Å; L255-W287 HydrophobicContact CG-CE3 4.41Å
256E91.6Very high91.6Very high139 Ų13964.3 Ų64.365%0.6532%0.318SS*.  trans-134.186.6-165.6-55.3-166.1152.800112.1V239 V254V239-E256 HydrophobicContact CG1-CG 3.89Å; V254-E256 HydrophobicContact CG1-CG 3.83Å
257N90.9Very high91.8Very high85 Ų8556.9 Ų56.946%0.45529%0.29SS..  trans-142.9-20.6175.5-70.996.8000114.6L285 W287 V294N257-L285 HydrophobicContact CB-CD1 4Å; N257-W287 HydrophobicContact CB-CH2 3.51Å; N257-W287 HydrophobicContact CB-CZ2 4.17Å; N257-W287 HydrophobicContact CB-CZ3 4.14Å; N257-W287 VanDerWaalsContact OD1-CH2 3.3Å; N257-W287 WeakPolarHBondContact OD1-CH2 3.35Å; N257-W287 WeakPolarHBondContact OD1-CZ3 3.5Å; N257-V294 HydrophobicContact CB-CG2 3.96Å
258H92.6Very high92Very high13 Ų1350 Ų506%0.0626%0.26CS..  trans-70.4150.9172.9-81.2-65.8000111.1P238 I262 S277 A279 D281P238-H258 HydrophobicContact CB-CB 4.22Å; P238-H258 VanDerWaalsContact CG-O 3.29Å; P238-H258 WeakPolarHBondContact CG-O 3.34Å; H258-I262 HydrophobicContact CB-CG1 4.3Å; H258-S277 PolarHBondContact NE2-OG 3.42Å; H258-A279 HydrophobicContact CB-CB 4.31Å; H258-A279 VanDerWaalsContact ND1-CB 3.31Å; H258-A279 WeakPolarHBondContact ND1-CB 3.32Å; H258-D281 WeakPolarHBondContact CA-OD2 3.37Å; H258-D281 IonicContact CE1-OD1 2.7Å; H258-D281 IonicContact CG-OD2 2.89Å; H258-D281 IonicContact ND1-OD1 3.94Å; H258-D281 PolarHBondContact ND1-OD1 2.87Å; H258-D281 IonicContact ND1-OD2 3.23Å; H258-D281 PolarHBondContact ND1-OD2 3.43Å; H258-D281 VanDerWaalsContact ND1-OD2 3.08Å
259K91.5Very high92.1Very high150 Ų15053.3 Ų53.365%0.65227%0.271SS*.SBendtrans-101.5-8.7-177.6-61.9-178.3-179.4178.60113.8D281K259-D281 HydrophobicContact CB-CB 4.01Å; K259-D281 PolarHBondContact N-OD2 2.86Å
260R92.6Very high92.2Very high129 Ų12951.4 Ų51.449%0.48726%0.262SS..SBendtrans-155.2166.6-177.3-71.2179166.8178.8-5.4109.6D235 P238 K280 D281D235-R260 WeakPolarHBondContact OD1-CB 3.33Å; P238-R260 WeakPolarHBondContact CB-O 3.14Å; R260-K280 HydrophobicContact CB-CB 3.77Å; R260-K280 WeakPolarHBondContact CD-O 3.39Å; R260-K280 PolarHBondContact NH1-O 3.4Å; R260-D281 HydrophobicContact CB-CB 4.12Å; R260-D281 HydrophobicContact CG-CB 4.4Å
261G91.8Very high92.3Very high0 Ų048.5 Ų48.50%024%0.241CC..  trans-51.4135.5-171.900000114.2E233 D235 A279 K280E233-G261 WeakPolarHBondContact O-CA 3.47Å; D235-G261 PolarHBondContact OD1-N 3.28Å; G261-A279 WeakPolarHBondContact O-CA 3.48Å; G261-A279 WeakPolarHBondContact O-CB 3.37Å; G261-K280 WeakPolarHBondContact O-CG 3.35Å; G261-K280 PolarHBondContact O-N 3.38Å
262I95Very high92.3Very high0 Ų047.1 Ų47.10%023%0.232CC..EExtended strand (participates in β ladder)trans-80.8136.5178.2-52.5178.7000108.3S216 A231 S232 E233 I240 H258 I265 S278 A279S216-I262 VanDerWaalsContact CB-O 3.31Å; S216-I262 WeakPolarHBondContact CB-O 3.48Å; S216-I262 PolarHBondContact OG-O 2.85Å; A231-I262 HydrophobicContact CB-CB 4.33Å; A231-I262 HydrophobicContact CB-CG2 3.99Å; S232-I262 WeakPolarHBondContact O-CB 3.47Å; S232-I262 PolarHBondContact O-N 3.26Å; E233-I262 WeakPolarHBondContact CA-O 3.5Å; E233-I262 WeakPolarHBondContact CG-O 3.16Å; I240-I262 HydrophobicContact CD1-CD1 3.99Å; I240-I262 HydrophobicContact CG1-CD1 3.31Å; H258-I262 HydrophobicContact CB-CG1 4.3Å; I262-I265 HydrophobicContact CG2-CG2 4.01Å; I262-S278 WeakPolarHBondContact CG2-O 3.23Å; I262-A279 HydrophobicContact CG1-CB 4.27Å
263L92.1Very high92.2Very high31 Ų3143.8 Ų43.816%0.16221%0.214CC..EExtended strand (participates in β ladder)trans-107.6-44.2-170.7-67.2164.9000112.3E233 S278 K280 W304E233-L263 HydrophobicContact CG-CD2 4.26Å; L263-S278 PolarHBondContact N-O 3.34Å; L263-K280 HydrophobicContact CD1-CG 3.85Å; L263-K280 HydrophobicContact CD2-CD 4.4Å; L263-K280 HydrophobicContact CD2-CG 3.97Å; L263-K280 HydrophobicContact CG-CG 3.97Å; L263-W304 HydrophobicContact CD1-CD2 4.2Å; L263-W304 HydrophobicContact CD1-CE3 3.26Å; L263-W304 HydrophobicContact CD1-CZ3 3.68Å; L263-W304 HydrophobicContact CD2-CZ3 4.48Å
264S92.6Very high92.3Very high15 Ų1540.9 Ų40.911%0.10520%0.202CC..EExtended strand (participates in β ladder)trans-144153.2177.9176.30000110.5S277 S278 F306 D307 V308S264-S277 WeakPolarHBondContact O-CA 3.31Å; S264-S278 PolarHBondContact O-N 3.32Å; S264-F306 VanDerWaalsContact CB-O 3.3Å; S264-F306 WeakPolarHBondContact CB-O 3.06Å; S264-D307 WeakPolarHBondContact CB-OD1 3.06Å; S264-D307 PolarHBondContact OG-OD1 2.66Å; S264-V308 PolarHBondContact OG-N 3.46Å
265I95.6Very high92.3Very high12 Ų1238.2 Ų38.26%0.06219%0.186CC..EExtended strand (participates in β ladder)trans-135.4150.317755.8167.7000109.9L219 V229 A231 I240 I262 L275 L276L219-I265 HydrophobicContact CB-CD1 4.3Å; L219-I265 HydrophobicContact CD1-CB 4.37Å; L219-I265 HydrophobicContact CD1-CD1 4Å; L219-I265 HydrophobicContact CD1-CG1 3.85Å; L219-I265 HydrophobicContact CG-CD1 3.96Å; L219-I265 HydrophobicContact CG-CG1 4.1Å; V229-I265 HydrophobicContact CG1-CD1 3.82Å; A231-I265 HydrophobicContact CB-CD1 4.12Å; A231-I265 HydrophobicContact CB-CG1 4.42Å; A231-I265 HydrophobicContact CB-CG2 3.66Å; I240-I265 HydrophobicContact CD1-CG2 4.4Å; I262-I265 HydrophobicContact CG2-CG2 4.01Å; I265-L275 HydrophobicContact CB-CD1 4.45Å; I265-L276 CarbonylContact C-O 3.5Å; I265-L276 VanDerWaalsContact CA-O 3.23Å; I265-L276 WeakPolarHBondContact CA-O 3.5Å
266S94.9Very high92.3Very high20 Ų2038.1 Ų38.114%0.1419%0.185CC..EExtended strand (participates in β ladder)trans-145.8124.1176.9-155.50000111.6L276 V308 W310S266-L276 PolarHBondContact N-O 3.41Å; S266-L276 PolarHBondContact O-N 2.95Å; S266-V308 WeakPolarHBondContact CB-O 3.37Å; S266-W310 VanDerWaalsContact C-CD1 3.45Å; S266-W310 PolarHBondContact O-NE1 2.81Å; S266-W310 PolarHBondContact OG-N 2.76Å
267W94.8Very high92.4Very high5 Ų531.5 Ų31.52%0.01915%0.154CC..EExtended strand (participates in β ladder)trans-101.8124.8-178.7-151.5-26000110.1L219 H221 P222 V229 M242 Q269 S272 L275 P289 W310L219-W267 HydrophobicContact CB-CE3 4.36Å; L219-W267 HydrophobicContact CD1-CB 3.98Å; H221-W267 VanDerWaalsContact CA-CZ3 3.45Å; H221-W267 HydrophobicContact CB-CH2 3.55Å; H221-W267 HydrophobicContact CB-CZ2 4.08Å; H221-W267 HydrophobicContact CB-CZ3 3.85Å; H221-W267 AromaticContact CD2-CH2 3.43Å; H221-W267 VanDerWaalsContact CD2-CH2 3.43Å; H221-W267 WeakPolarHBondContact CD2-CH2 3.47Å; H221-W267 AromaticContact CD2-CZ2 3.33Å; H221-W267 WeakPolarHBondContact CD2-CZ2 3.43Å; H221-W267 AromaticContact CG-CH2 3.68Å; H221-W267 AromaticContact CG-CZ2 3.74Å; H221-W267 AromaticContact NE2-CZ2 3.95Å; P222-W267 HydrophobicContact CG-CG 4.42Å; V229-W267 HydrophobicContact CB-CE3 4.5Å; V229-W267 HydrophobicContact CB-CZ3 3.99Å; V229-W267 HydrophobicContact CG2-CE3 4.26Å; V229-W267 HydrophobicContact CG2-CH2 3.84Å; V229-W267 HydrophobicContact CG2-CZ3 3.44Å; V229-W267 VanDerWaalsContact CG2-CZ3 3.44Å; M242-W267 HydrophobicContact CE-CH2 4.43Å; W267-Q269 PolarHBondContact O-N 3.15Å; W267-Q269 PolarHBondContact O-NE2 2.91Å; W267-S272 PolarHBondContact NE1-O 3.43Å; W267-L275 HydrophobicContact CB-CD1 3.96Å; W267-L275 HydrophobicContact CD2-CD1 4.27Å; W267-L275 HydrophobicContact CG-CD1 4.07Å; W267-P289 HydrophobicContact CH2-CG 4.41Å; W267-P289 HydrophobicContact CZ2-CB 4.08Å; W267-P289 HydrophobicContact CZ2-CG 3.53Å; W267-W310 VanDerWaalsContact C-CD1 3.49Å
268S92.6Very high92.5Very high1 Ų127.5 Ų27.51%0.00713%0.133CC..  trans-64.9120.3-179.9-172.30000110.6S270 D271 L274S268-S270 PolarHBondContact O-N 3.29Å; S268-D271 CarbonylContact O-C 3.55Å; S268-D271 PolarHBondContact O-N 2.99Å; S268-L274 PolarHBondContact N-O 3.03Å
269Q90Very high92.6Very high96 Ų9626.9 Ų26.945%0.44913%0.13SC..THydrogen-bonded Turntrans-70.5-18.5178.4-56.4-57.6-71.400112.4W267W267-Q269 PolarHBondContact O-N 3.15Å; W267-Q269 PolarHBondContact O-NE2 2.91Å
270S88.8Confident92.6Very high58 Ų5821.7 Ų21.741%0.40611%0.107SC..THydrogen-bonded Turntrans-94-12.2177.5-49.90000113.8S268 P315S268-S270 PolarHBondContact O-N 3.29Å; S270-P315 WeakPolarHBondContact OG-CB 3.33Å
271D90.3Very high92.4Very high1 Ų116.7 Ų16.71%0.0059%0.09CC..  trans-153.2104.6172.5-166.2-9000112.2S268 E273 L274 K387 W388S268-D271 CarbonylContact O-C 3.55Å; S268-D271 PolarHBondContact O-N 2.99Å; D271-E273 PolarHBondContact O-N 2.92Å; D271-E273 VanDerWaalsContact OD1-CB 3.32Å; D271-E273 WeakPolarHBondContact OD1-CB 3.35Å; D271-E273 PolarHBondContact OD1-N 3.4Å; D271-L274 HydrophobicContact CB-CD1 4.13Å; D271-L274 HydrophobicContact CB-CG 4.22Å; D271-L274 PolarHBondContact O-N 2.62Å; D271-K387 HydrophobicContact CB-CB 4.27Å; D271-K387 HydrophobicContact CB-CD 4.4Å; D271-K387 HydrophobicContact CB-CG 4.48Å; D271-K387 WeakPolarHBondContact OD1-CD 2.97Å; D271-K387 WeakPolarHBondContact OD1-CE 3.22Å; D271-K387 WeakPolarHBondContact OD1-CG 3.41Å; D271-K387 IonicContact OD1-NZ 2.98Å; D271-K387 PolarHBondContact OD1-NZ 3.21Å; D271-K387 WeakPolarHBondContact OD2-CG 3.47Å; D271-K387 PolarHBondContact OD2-N 2.89Å; D271-W388 HydrophobicContact CB-CE3 3.92Å; D271-W388 HydrophobicContact CB-CZ3 3.58Å
272S90.9Very high92.3Very high6 Ų618.9 Ų18.94%0.04210%0.102CC..THydrogen-bonded Turntrans-55.9-16.8171.451.20000115.4H221 D223 W267 L274 P289 K387H221-S272 WeakPolarHBondContact CE1-CB 3.1Å; D223-S272 WeakPolarHBondContact OD2-CB 3.35Å; D223-S272 PolarHBondContact OD2-OG 3.48Å; W267-S272 PolarHBondContact NE1-O 3.43Å; S272-L274 PolarHBondContact O-N 2.97Å; S272-P289 WeakPolarHBondContact O-CG 3.39Å; S272-K387 PolarHBondContact OG-NZ 3.16Å
273E90.3Very high92Very high30 Ų3022.7 Ų22.714%0.1412%0.117CC..THydrogen-bonded Turntrans-74.7-0.2171.9-66.7-160.992.400113.7D271 W287 N288 I295 R390D271-E273 PolarHBondContact O-N 2.92Å; D271-E273 VanDerWaalsContact OD1-CB 3.32Å; D271-E273 WeakPolarHBondContact OD1-CB 3.35Å; D271-E273 PolarHBondContact OD1-N 3.4Å; E273-W287 VanDerWaalsContact O-O 3.1Å; E273-N288 WeakPolarHBondContact O-CA 3.37Å; E273-N288 PolarHBondContact OE1-ND2 2.99Å; E273-I295 WeakPolarHBondContact O-CD1 3.46Å; E273-R390 IonicContact OE2-CZ 3.7Å; E273-R390 IonicContact OE2-NH1 3.66Å; E273-R390 PolarHBondContact OE2-NH1 3.42Å; E273-R390 IonicContact OE2-NH2 3.08Å; E273-R390 PolarHBondContact OE2-NH2 3.41Å
274L91.8Very high91.9Very high6 Ų621.2 Ų21.23%0.03111%0.109CC..  trans-126.4104.4-176.2-58.6179.3000113S268 D271 S272 I295 W310 P386 W388S268-L274 PolarHBondContact N-O 3.03Å; D271-L274 HydrophobicContact CB-CD1 4.13Å; D271-L274 HydrophobicContact CB-CG 4.22Å; D271-L274 PolarHBondContact O-N 2.62Å; S272-L274 PolarHBondContact O-N 2.97Å; L274-I295 HydrophobicContact CD2-CD1 3.52Å; L274-W310 HydrophobicContact CB-CH2 4.26Å; L274-W310 HydrophobicContact CB-CZ2 3.87Å; L274-W310 HydrophobicContact CD1-CH2 4.1Å; L274-P386 HydrophobicContact CD1-CB 3.99Å; L274-P386 HydrophobicContact CD1-CG 4.04Å; L274-W388 HydrophobicContact CD1-CH2 3.43Å; L274-W388 VanDerWaalsContact CD1-CH2 3.43Å; L274-W388 HydrophobicContact CD1-CZ2 4.5Å; L274-W388 HydrophobicContact CD1-CZ3 3.7Å
275L94.2Very high91.9Very high0 Ų020.7 Ų20.70%011%0.105CC..EExtended strand (participates in β ladder)trans-114.2126.6171.5173.568.7000109.6V229 I240 L255 I265 W267 C286 W287 P289V229-L275 HydrophobicContact CG1-CD2 4.28Å; I240-L275 HydrophobicContact CD1-CD2 4.46Å; I240-L275 HydrophobicContact CG2-CD2 4.32Å; L255-L275 HydrophobicContact CD1-CD2 4.27Å; I265-L275 HydrophobicContact CB-CD1 4.45Å; W267-L275 HydrophobicContact CB-CD1 3.96Å; W267-L275 HydrophobicContact CD2-CD1 4.27Å; W267-L275 HydrophobicContact CG-CD1 4.07Å; L275-C286 CarbonylContact O-C 3.52Å; L275-C286 WeakPolarHBondContact O-CA 3.49Å; L275-W287 HydrophobicContact CB-CB 4.34Å; L275-W287 PolarHBondContact N-O 3.34Å; L275-W287 PolarHBondContact O-N 3.16Å; L275-P289 HydrophobicContact CB-CG 4.42Å
276L93.4Very high91.7Very high4 Ų420.2 Ų20.22%0.02110%0.103CC..EExtended strand (participates in β ladder)trans-92.1147.8170.5-68.5169.6000110.8I265 S266 I284 L285 C286 V308 W310 L318I265-L276 CarbonylContact C-O 3.5Å; I265-L276 VanDerWaalsContact CA-O 3.23Å; I265-L276 WeakPolarHBondContact CA-O 3.5Å; S266-L276 PolarHBondContact N-O 3.41Å; S266-L276 PolarHBondContact O-N 2.95Å; L276-I284 HydrophobicContact CD2-CG2 4.29Å; L276-L285 CarbonylContact C-O 3.59Å; L276-L285 WeakPolarHBondContact CA-O 3.47Å; L276-C286 HydrophobicContact CD2-CB 3.77Å; L276-V308 HydrophobicContact CB-CG1 4.35Å; L276-V308 HydrophobicContact CB-CG2 4.3Å; L276-V308 HydrophobicContact CD1-CG2 3.98Å; L276-W310 HydrophobicContact CD1-CD2 3.84Å; L276-W310 VanDerWaalsContact CD1-CE2 3.4Å; L276-W310 HydrophobicContact CD1-CE3 4.48Å; L276-W310 HydrophobicContact CD1-CG 4.2Å; L276-W310 HydrophobicContact CD1-CH2 4.39Å; L276-W310 HydrophobicContact CD1-CZ2 3.72Å; L276-W310 HydrophobicContact CD2-CZ2 4.17Å; L276-W310 HydrophobicContact CG-CH2 4.5Å; L276-W310 HydrophobicContact CG-CZ2 3.59Å; L276-L318 HydrophobicContact CD1-CB 3.76Å; L276-L318 HydrophobicContact CD1-CD2 3.62Å; L276-L318 HydrophobicContact CD1-CG 4.2Å; L276-L318 HydrophobicContact CD2-CD2 3.87Å; L276-L318 HydrophobicContact CG-CD2 4.4Å
277S94.6Very high91.5Very high0 Ų019.3 Ų19.30%010%0.096CC..EExtended strand (participates in β ladder)trans-139.1149.1164.561.70000111.3H258 S264 I284 L285 W287H258-S277 PolarHBondContact NE2-OG 3.42Å; S264-S277 WeakPolarHBondContact O-CA 3.31Å; S277-I284 VanDerWaalsContact O-CA 3.29Å; S277-I284 WeakPolarHBondContact O-CA 3.46Å; S277-L285 PolarHBondContact N-O 3.41Å; S277-L285 PolarHBondContact O-N 3.1Å; S277-W287 PolarHBondContact OG-NE1 2.63Å
278S93.3Very high91.3Very high1 Ų119.3 Ų19.31%0.00710%0.096CC..EExtended strand (participates in β ladder)trans-125.9144.5170.8-170.70000110.5I262 L263 S264 C305I262-S278 WeakPolarHBondContact CG2-O 3.23Å; L263-S278 PolarHBondContact N-O 3.34Å; S264-S278 PolarHBondContact O-N 3.32Å; S278-C305 WeakPolarHBondContact CB-O 3.28Å; S278-C305 WeakPolarHBondContact OG-CB 3.36Å; S278-C305 PolarHBondContact OG-O 3.16Å
279A92.7Very high91.2Very high0 Ų019.3 Ų19.30%010%0.096CC..EExtended strand (participates in β ladder)trans-145166.4-173.700000114.4H258 G261 I262 D281 N282 R283 W304H258-A279 HydrophobicContact CB-CB 4.31Å; H258-A279 VanDerWaalsContact ND1-CB 3.31Å; H258-A279 WeakPolarHBondContact ND1-CB 3.32Å; G261-A279 WeakPolarHBondContact O-CA 3.48Å; G261-A279 WeakPolarHBondContact O-CB 3.37Å; I262-A279 HydrophobicContact CG1-CB 4.27Å; A279-D281 PolarHBondContact O-N 3.45Å; A279-N282 PolarHBondContact O-N 3.11Å; A279-R283 PolarHBondContact N-O 2.91Å; A279-W304 WeakPolarHBondContact O-CB 3.45Å
280K91.8Very high91.2Very high40 Ų4018.3 Ų18.317%0.1749%0.094CC..THydrogen-bonded Turntrans-63.81.6176.8-62.4164.8-174.5173.30114.5E233 D235 R260 G261 L263E233-K280 PolarHBondContact O-NZ 3.02Å; E233-K280 VanDerWaalsContact OE1-CE 3.29Å; E233-K280 WeakPolarHBondContact OE1-CE 3.36Å; E233-K280 IonicContact OE1-NZ 3.19Å; E233-K280 PolarHBondContact OE1-NZ 2.97Å; D235-K280 WeakPolarHBondContact OD1-CD 3.34Å; R260-K280 HydrophobicContact CB-CB 3.77Å; R260-K280 WeakPolarHBondContact CD-O 3.39Å; R260-K280 PolarHBondContact NH1-O 3.4Å; G261-K280 WeakPolarHBondContact O-CG 3.35Å; G261-K280 PolarHBondContact O-N 3.38Å; L263-K280 HydrophobicContact CD1-CG 3.85Å; L263-K280 HydrophobicContact CD2-CD 4.4Å; L263-K280 HydrophobicContact CD2-CG 3.97Å; L263-K280 HydrophobicContact CG-CG 3.97Å
281D89.2Confident91.1Very high24 Ų2418.3 Ų18.313%0.1289%0.092CC..THydrogen-bonded Turntrans-95.811.1174.269.20.4000113.6H258 K259 R260 A279 R283H258-D281 WeakPolarHBondContact CA-OD2 3.37Å; H258-D281 IonicContact CE1-OD1 2.7Å; H258-D281 IonicContact CG-OD2 2.89Å; H258-D281 IonicContact ND1-OD1 3.94Å; H258-D281 PolarHBondContact ND1-OD1 2.87Å; H258-D281 IonicContact ND1-OD2 3.23Å; H258-D281 PolarHBondContact ND1-OD2 3.43Å; H258-D281 VanDerWaalsContact ND1-OD2 3.08Å; K259-D281 HydrophobicContact CB-CB 4.01Å; K259-D281 PolarHBondContact N-OD2 2.86Å; R260-D281 HydrophobicContact CB-CB 4.12Å; R260-D281 HydrophobicContact CG-CB 4.4Å; A279-D281 PolarHBondContact O-N 3.45Å; D281-R283 VanDerWaalsContact C-N 3.26Å; D281-R283 PolarHBondContact O-N 3.44Å; D281-R283 WeakPolarHBondContact OD1-CB 3.34Å; D281-R283 PolarHBondContact OD1-N 3.42Å; D281-R283 VanDerWaalsContact OD1-N 3.1Å
282N88.5Confident90.9Very high46 Ų4619.1 Ų19.125%0.24610%0.101CC..SBendtrans66.615.4-178.2-56.1-2.5000114.7A279 T300 N302 W304A279-N282 PolarHBondContact O-N 3.11Å; N282-T300 PolarHBondContact O-OG1 2.92Å; N282-N302 VanDerWaalsContact ND2-C 3.32Å; N282-N302 PolarHBondContact ND2-O 3Å; N282-W304 WeakPolarHBondContact OD1-CB 3.1Å; N282-W304 PolarHBondContact OD1-N 3.41Å
283R89.3Confident90.8Very high81 Ų8123.4 Ų23.431%0.30612%0.12SC..  trans-106.8145-178-61.8170.1166.1-107.4-29112.1A279 D281 L285 E297A279-R283 PolarHBondContact N-O 2.91Å; D281-R283 VanDerWaalsContact C-N 3.26Å; D281-R283 PolarHBondContact O-N 3.44Å; D281-R283 WeakPolarHBondContact OD1-CB 3.34Å; D281-R283 PolarHBondContact OD1-N 3.42Å; D281-R283 VanDerWaalsContact OD1-N 3.1Å; R283-L285 HydrophobicContact CB-CD2 4.36Å; R283-L285 HydrophobicContact CB-CG 4.45Å; R283-E297 IonicContact CZ-OE1 3.44Å; R283-E297 IonicContact CZ-OE2 3.1Å; R283-E297 IonicContact NE-OE1 3.68Å; R283-E297 PolarHBondContact NE-OE1 2.61Å; R283-E297 IonicContact NH1-OE1 3.84Å; R283-E297 PolarHBondContact NH1-OE1 2.64Å; R283-E297 IonicContact NH1-OE2 3.9Å; R283-E297 PolarHBondContact NH1-OE2 3.43Å; R283-E297 IonicContact NH2-OE1 3.93Å; R283-E297 PolarHBondContact NH2-OE1 3.29Å; R283-E297 VanDerWaalsContact NH2-OE1 3.16Å
284I91.1Very high90.8Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-113.2120.9160.7-69.6173.9000108.4L276 S277 L298 T300 C305 V308 A320L276-I284 HydrophobicContact CD2-CG2 4.29Å; S277-I284 VanDerWaalsContact O-CA 3.29Å; S277-I284 WeakPolarHBondContact O-CA 3.46Å; I284-L298 HydrophobicContact CB-CB 3.96Å; I284-L298 HydrophobicContact CB-CD2 4.06Å; I284-L298 HydrophobicContact CD1-CD2 3.99Å; I284-L298 HydrophobicContact CG2-CB 3.97Å; I284-L298 HydrophobicContact CG2-CD2 3.97Å; I284-L298 PolarHBondContact O-N 3.37Å; I284-T300 HydrophobicContact CB-CG2 4.31Å; I284-T300 HydrophobicContact CD1-CG2 3.75Å; I284-T300 HydrophobicContact CG1-CG2 3.9Å; I284-C305 HydrophobicContact CD1-CB 4.03Å; I284-V308 HydrophobicContact CD1-CG2 4.3Å; I284-V308 HydrophobicContact CG2-CG2 4.36Å; I284-A320 HydrophobicContact CD1-CB 3.42Å; I284-A320 VanDerWaalsContact CD1-CB 3.42Å
285L91.3Very high90.5Very high3 Ų324 Ų242%0.01613%0.125CC..EExtended strand (participates in β ladder)trans-112.2141-177.6-59.3-177.4000110.2N257 L276 S277 R283 W287 V294 E297N257-L285 HydrophobicContact CB-CD1 4Å; L276-L285 CarbonylContact C-O 3.59Å; L276-L285 WeakPolarHBondContact CA-O 3.47Å; S277-L285 PolarHBondContact N-O 3.41Å; S277-L285 PolarHBondContact O-N 3.1Å; R283-L285 HydrophobicContact CB-CD2 4.36Å; R283-L285 HydrophobicContact CB-CG 4.45Å; L285-W287 HydrophobicContact CD1-CZ2 3.89Å; L285-V294 HydrophobicContact CD1-CG2 4.2Å; L285-V294 HydrophobicContact CD2-CG1 4.23Å; L285-E297 HydrophobicContact CD2-CB 3.88Å; L285-E297 HydrophobicContact CD2-CG 3.75Å
286C91.2Very high90Very high3 Ų324.6 Ų24.62%0.0213%0.127CC..EExtended strand (participates in β ladder)trans-112.5122170.6-169.70000109.8L275 L276 I295 Y296L275-C286 CarbonylContact O-C 3.52Å; L275-C286 WeakPolarHBondContact O-CA 3.49Å; L276-C286 HydrophobicContact CD2-CB 3.77Å; C286-I295 PolarHBondContact O-N 3.32Å; C286-Y296 HydrophobicContact CB-CD1 4.48Å; C286-Y296 PolarHBondContact N-O 3.08Å; C286-Y296 PolarHBondContact O-N 3.45Å
287W91.7Very high89.6Confident1 Ų128 Ų280%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-111148.5-169.6-56.786.2000111.7I240 L255 N257 E273 L275 S277 L285 P289 E293 V294I240-W287 HydrophobicContact CD1-CZ2 4.29Å; L255-W287 HydrophobicContact CB-CD2 4.42Å; L255-W287 HydrophobicContact CB-CE3 3.92Å; L255-W287 HydrophobicContact CB-CH2 3.77Å; L255-W287 HydrophobicContact CB-CZ2 4.34Å; L255-W287 HydrophobicContact CB-CZ3 3.57Å; L255-W287 HydrophobicContact CD1-CB 4.33Å; L255-W287 HydrophobicContact CD1-CD2 4.09Å; L255-W287 HydrophobicContact CD1-CE3 4.07Å; L255-W287 HydrophobicContact CD1-CG 4.26Å; L255-W287 HydrophobicContact CG-CE3 4.41Å; N257-W287 HydrophobicContact CB-CH2 3.51Å; N257-W287 HydrophobicContact CB-CZ2 4.17Å; N257-W287 HydrophobicContact CB-CZ3 4.14Å; N257-W287 VanDerWaalsContact OD1-CH2 3.3Å; N257-W287 WeakPolarHBondContact OD1-CH2 3.35Å; N257-W287 WeakPolarHBondContact OD1-CZ3 3.5Å; E273-W287 VanDerWaalsContact O-O 3.1Å; L275-W287 HydrophobicContact CB-CB 4.34Å; L275-W287 PolarHBondContact N-O 3.34Å; L275-W287 PolarHBondContact O-N 3.16Å; S277-W287 PolarHBondContact OG-NE1 2.63Å; L285-W287 HydrophobicContact CD1-CZ2 3.89Å; W287-P289 WeakPolarHBondContact O-CD 3.3Å; W287-E293 WeakPolarHBondContact CA-O 3.49Å; W287-V294 HydrophobicContact CD2-CG2 4.06Å; W287-V294 HydrophobicContact CE3-CG2 3.66Å; W287-V294 HydrophobicContact CH2-CG2 4.04Å; W287-V294 HydrophobicContact CZ2-CG2 4.34Å; W287-V294 HydrophobicContact CZ3-CG2 3.64Å
288N91.2Very high89.1Confident4 Ų428.2 Ų28.22%0.02114%0.144CC..  trans-92.2103.4156.2-168.9-61.6000108.3E273 N290 T291 G292 E293 I295E273-N288 WeakPolarHBondContact O-CA 3.37Å; E273-N288 PolarHBondContact OE1-ND2 2.99Å; N288-N290 PolarHBondContact O-N 2.8Å; N288-N290 WeakPolarHBondContact OD1-CB 3.34Å; N288-N290 PolarHBondContact OD1-N 2.68Å; N288-T291 WeakPolarHBondContact CB-OG1 3.31Å; N288-T291 PolarHBondContact O-N 3.33Å; N288-T291 PolarHBondContact OD1-N 3.36Å; N288-G292 WeakPolarHBondContact O-CA 3.4Å; N288-G292 PolarHBondContact O-N 3.45Å; N288-E293 PolarHBondContact N-O 2.77Å; N288-I295 HydrophobicContact CB-CD1 3.9Å; N288-I295 HydrophobicContact CB-CG1 3.97Å
289P90.2Very high88.1Confident1 Ų129.8 Ų29.81%0.00616%0.155CC..THydrogen-bonded Turntrans-62.5-28.9-176.822.8-31.9000112.5M242 W267 S272 L275 W287M242-P289 HydrophobicContact SD-CB 4.3Å; W267-P289 HydrophobicContact CH2-CG 4.41Å; W267-P289 HydrophobicContact CZ2-CB 4.08Å; W267-P289 HydrophobicContact CZ2-CG 3.53Å; S272-P289 WeakPolarHBondContact O-CG 3.39Å; L275-P289 HydrophobicContact CB-CG 4.42Å; W287-P289 WeakPolarHBondContact O-CD 3.3Å
290N88.9Confident87.1Confident76 Ų7631.3 Ų31.341%0.40616%0.164SC..THydrogen-bonded Turntrans-70.9-49.6178.9-58.6-62000112.3K253 N288K253-N290 PolarHBondContact NZ-O 2.84Å; N288-N290 PolarHBondContact O-N 2.8Å; N288-N290 WeakPolarHBondContact OD1-CB 3.34Å; N288-N290 PolarHBondContact OD1-N 2.68Å
291T87.5Confident85.8Confident57 Ų5731.1 Ų31.135%0.3517%0.166SC..THydrogen-bonded Turntrans-80.7-27.6178.471.30000112.8K253 N288 E293K253-T291 WeakPolarHBondContact CE-O 3.4Å; K253-T291 PolarHBondContact NZ-O 2.93Å; N288-T291 WeakPolarHBondContact CB-OG1 3.31Å; N288-T291 PolarHBondContact O-N 3.33Å; N288-T291 PolarHBondContact OD1-N 3.36Å; T291-E293 VanDerWaalsContact C-N 3.33Å; T291-E293 PolarHBondContact OG1-N 3.29Å
292G86.3Confident84.8Confident19 Ų1937.2 Ų37.220%0.19620%0.198CC..  trans85.22.4-173.700000114.2N288N288-G292 WeakPolarHBondContact O-CA 3.4Å; N288-G292 PolarHBondContact O-N 3.45Å
293E88.7Confident84.6Confident95 Ų9539 Ų3944%0.44421%0.205SC..  trans-81.4139.7179.4-70.2179.6-125.300112.3W287 N288 T291 I295 K383W287-E293 WeakPolarHBondContact CA-O 3.49Å; N288-E293 PolarHBondContact N-O 2.77Å; T291-E293 VanDerWaalsContact C-N 3.33Å; T291-E293 PolarHBondContact OG1-N 3.29Å; E293-I295 PolarHBondContact O-N 3.06Å; E293-K383 IonicContact OE2-NZ 3.99Å; E293-K383 PolarHBondContact OE2-NZ 3.24Å
294V89.4Confident84.4Confident29 Ų2938.5 Ų38.518%0.17620%0.204CC..EExtended strand (participates in β ladder)trans-65118.1154.1-179.90000108.3N257 L285 W287 Y296 K383N257-V294 HydrophobicContact CB-CG2 3.96Å; L285-V294 HydrophobicContact CD1-CG2 4.2Å; L285-V294 HydrophobicContact CD2-CG1 4.23Å; W287-V294 HydrophobicContact CD2-CG2 4.06Å; W287-V294 HydrophobicContact CE3-CG2 3.66Å; W287-V294 HydrophobicContact CH2-CG2 4.04Å; W287-V294 HydrophobicContact CZ2-CG2 4.34Å; W287-V294 HydrophobicContact CZ3-CG2 3.64Å; V294-Y296 WeakPolarHBondContact CG1-O 3.4Å; V294-K383 PolarHBondContact O-NZ 3.22Å
295I86.1Confident84.3Confident21 Ų2138.7 Ų38.711%0.10821%0.205CC..EExtended strand (participates in β ladder)trans-78.4-39.5174.5-54168.4000109.5E273 L274 C286 N288 E293 L382 K383E273-I295 WeakPolarHBondContact O-CD1 3.46Å; L274-I295 HydrophobicContact CD2-CD1 3.52Å; C286-I295 PolarHBondContact O-N 3.32Å; N288-I295 HydrophobicContact CB-CD1 3.9Å; N288-I295 HydrophobicContact CB-CG1 3.97Å; E293-I295 PolarHBondContact O-N 3.06Å; I295-L382 HydrophobicContact CG2-CB 4.5Å; I295-L382 HydrophobicContact CG2-CD2 4.21Å; I295-K383 HydrophobicContact CG2-CB 4.39Å
296Y82.7Confident84.3Confident12 Ų1239.5 Ų39.55%0.04721%0.208CC..EExtended strand (participates in β ladder)trans-160.1143-161-174.9-105.6000111M1 C286 V294 L298 V379 P380 L382M1-Y296 HydrophobicContact CE-CE1 4.14Å; M1-Y296 WeakPolarHBondContact CE-OH 3.22Å; C286-Y296 HydrophobicContact CB-CD1 4.48Å; C286-Y296 PolarHBondContact N-O 3.08Å; C286-Y296 PolarHBondContact O-N 3.45Å; V294-Y296 WeakPolarHBondContact CG1-O 3.4Å; Y296-L298 HydrophobicContact CE1-CD1 4.04Å; Y296-V379 HydrophobicContact CD2-CG1 4.19Å; Y296-V379 HydrophobicContact CE2-CG1 3.44Å; Y296-V379 VanDerWaalsContact CE2-CG1 3.44Å; Y296-P380 VanDerWaalsContact CD2-O 3.25Å; Y296-P380 WeakPolarHBondContact CD2-O 3.08Å; Y296-P380 VanDerWaalsContact CE2-O 3.22Å; Y296-P380 WeakPolarHBondContact CE2-O 3.42Å; Y296-L382 HydrophobicContact CD1-CD2 4.36Å; Y296-L382 HydrophobicContact CD2-CD2 3.83Å; Y296-L382 HydrophobicContact CE2-CD2 4.36Å; Y296-L382 HydrophobicContact CG-CD2 3.81Å
297E86.9Confident84.3Confident75 Ų7540.3 Ų40.335%0.3521%0.212SC..EExtended strand (participates in β ladder)trans-120.3128.8175.3176.2167.5178.200108.1R283 L285R283-E297 IonicContact CZ-OE1 3.44Å; R283-E297 IonicContact CZ-OE2 3.1Å; R283-E297 IonicContact NE-OE1 3.68Å; R283-E297 PolarHBondContact NE-OE1 2.61Å; R283-E297 IonicContact NH1-OE1 3.84Å; R283-E297 PolarHBondContact NH1-OE1 2.64Å; R283-E297 IonicContact NH1-OE2 3.9Å; R283-E297 PolarHBondContact NH1-OE2 3.43Å; R283-E297 IonicContact NH2-OE1 3.93Å; R283-E297 PolarHBondContact NH2-OE1 3.29Å; R283-E297 VanDerWaalsContact NH2-OE1 3.16Å; L285-E297 HydrophobicContact CD2-CB 3.88Å; L285-E297 HydrophobicContact CD2-CG 3.75Å
298L83.3Confident84.4Confident5 Ų540.3 Ų40.33%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-92.3127.1-175.2-167.893.7000110M1 I284 Y296 T300 L318 Y330M1-L298 HydrophobicContact CE-CD1 3.38Å; M1-L298 HydrophobicContact CE-CG 4.06Å; I284-L298 HydrophobicContact CB-CB 3.96Å; I284-L298 HydrophobicContact CB-CD2 4.06Å; I284-L298 HydrophobicContact CD1-CD2 3.99Å; I284-L298 HydrophobicContact CG2-CB 3.97Å; I284-L298 HydrophobicContact CG2-CD2 3.97Å; I284-L298 PolarHBondContact O-N 3.37Å; Y296-L298 HydrophobicContact CE1-CD1 4.04Å; L298-T300 PolarHBondContact O-N 3.07Å; L298-L318 HydrophobicContact CD1-CD1 4.34Å; L298-L318 HydrophobicContact CD1-CD2 4.34Å; L298-L318 HydrophobicContact CD2-CD1 4Å; L298-Y330 HydrophobicContact CD1-CD1 3.9Å; L298-Y330 HydrophobicContact CD1-CG 4.04Å; L298-Y330 HydrophobicContact CD2-CD1 3.96Å; L298-Y330 HydrophobicContact CD2-CD2 3.91Å; L298-Y330 HydrophobicContact CD2-CE1 3.91Å; L298-Y330 HydrophobicContact CD2-CE2 3.87Å; L298-Y330 HydrophobicContact CD2-CG 3.97Å; L298-Y330 HydrophobicContact CG-CD1 4.03Å; L298-Y330 HydrophobicContact CG-CE1 4.13Å; L298-Y330 HydrophobicContact CG-CG 4.38Å
299P73.2Confident84.5Confident34 Ų3442.3 Ų42.322%0.22122%0.221CC..  trans-74.796.2176.432.7-36.8000111.5M1 V379M1-P299 VanDerWaalsContact CE-CD 3.48Å; M1-P299 HydrophobicContact CE-CG 4.09Å; M1-P299 HydrophobicContact SD-CG 3.82Å; P299-V379 HydrophobicContact CB-CG2 4.45Å; P299-V379 HydrophobicContact CG-CG2 3.63Å
300T69.9Low84.7Confident32 Ų3243 Ų4320%0.19622%0.224CC..  trans-72.4175.9169.834.20000112.4N282 I284 L298N282-T300 PolarHBondContact O-OG1 2.92Å; I284-T300 HydrophobicContact CB-CG2 4.31Å; I284-T300 HydrophobicContact CD1-CG2 3.75Å; I284-T300 HydrophobicContact CG1-CG2 3.9Å; L298-T300 PolarHBondContact O-N 3.07Å
301T65.3Low84.8Confident35 Ų3539.5 Ų39.522%0.21521%0.206CC..  trans-75.8-179.1164.353.20000110.4R2 Q303 D324R2-T301 VanDerWaalsContact NH2-CG2 3.32Å; T301-Q303 PolarHBondContact O-N 2.95Å; T301-D324 WeakPolarHBondContact CB-OD2 3.38Å; T301-D324 PolarHBondContact OG1-OD2 3.35Å
302N68.7Low84.9Confident152 Ų15239.8 Ų39.881%0.81321%0.209SC*.SBendtrans-72.220.6177-70.8-21.2000114.1N282N282-N302 VanDerWaalsContact ND2-C 3.32Å; N282-N302 PolarHBondContact ND2-O 3Å
303Q83.1Confident84.9Confident83 Ų8343.3 Ų43.339%0.38822%0.216SC..SBendtrans-129.4163.5177.2-65.8-62.1-6.300111T301 D324T301-Q303 PolarHBondContact O-N 2.95Å; Q303-D324 HydrophobicContact CB-CB 4.42Å; Q303-D324 HydrophobicContact CG-CB 4.08Å
304W85.6Confident84.9Confident72 Ų7241.5 Ų41.527%0.27321%0.209SC..  trans-87.1144.2178.545-81.1000111.4L263 A279 N282 F306 F323L263-W304 HydrophobicContact CD1-CD2 4.2Å; L263-W304 HydrophobicContact CD1-CE3 3.26Å; L263-W304 HydrophobicContact CD1-CZ3 3.68Å; L263-W304 HydrophobicContact CD2-CZ3 4.48Å; A279-W304 WeakPolarHBondContact O-CB 3.45Å; N282-W304 WeakPolarHBondContact OD1-CB 3.1Å; N282-W304 PolarHBondContact OD1-N 3.41Å; W304-F306 HydrophobicContact CZ3-CB 4.27Å; W304-F323 HydrophobicContact CD2-CB 4.44Å; W304-F323 AromaticContact CH2-CD2 3.66Å; W304-F323 HydrophobicContact CH2-CD2 3.66Å; W304-F323 AromaticContact CH2-CE2 3.94Å; W304-F323 HydrophobicContact CH2-CE2 3.94Å; W304-F323 HydrophobicContact CH2-CG 4.36Å; W304-F323 AromaticContact CZ2-CD2 3.93Å; W304-F323 HydrophobicContact CZ2-CD2 3.93Å; W304-F323 HydrophobicContact CZ2-CE2 4.23Å; W304-F323 HydrophobicContact CZ2-CG 4.22Å; W304-F323 AromaticContact CZ3-CD2 3.99Å; W304-F323 HydrophobicContact CZ3-CD2 3.99Å; W304-F323 PolarHBondContact O-N 3.32Å; W304-F323 VanDerWaalsContact O-N 3.08Å
305C90.3Very high84.9Confident3 Ų341 Ų412%0.0221%0.207CC..EExtended strand (participates in β ladder)trans-95128.8174.1-52.50000109.7S278 I284 A320 A321S278-C305 WeakPolarHBondContact CB-O 3.28Å; S278-C305 WeakPolarHBondContact OG-CB 3.36Å; S278-C305 PolarHBondContact OG-O 3.16Å; I284-C305 HydrophobicContact CD1-CB 4.03Å; C305-A320 HydrophobicContact CB-CB 4.27Å; C305-A321 CarbonylContact C-O 3.48Å; C305-A321 WeakPolarHBondContact CA-O 3.48Å; C305-A321 VanDerWaalsContact CB-O 3.24Å; C305-A321 WeakPolarHBondContact CB-O 3.29Å
306F90.1Very high84.9Confident20 Ų2040.7 Ų40.79%0.08821%0.207CC..EExtended strand (participates in β ladder)trans-85.6-25.8-179.359.8-96.7000112.2A10 H11 Q32 S264 W304 A321A10-F306 WeakPolarHBondContact O-CZ 3.46Å; H11-F306 AromaticContact CD2-CE2 3.88Å; Q32-F306 HydrophobicContact CG-CD1 4.22Å; Q32-F306 HydrophobicContact CG-CE1 4.11Å; Q32-F306 HydrophobicContact CG-CZ 4.44Å; Q32-F306 VanDerWaalsContact NE2-CE2 3.31Å; Q32-F306 VanDerWaalsContact NE2-CG 3.26Å; S264-F306 VanDerWaalsContact CB-O 3.3Å; S264-F306 WeakPolarHBondContact CB-O 3.06Å; W304-F306 HydrophobicContact CZ3-CB 4.27Å; F306-A321 WeakPolarHBondContact CD1-O 3.49Å; F306-A321 HydrophobicContact CD2-CB 4.43Å; F306-A321 HydrophobicContact CE1-CB 4.1Å; F306-A321 HydrophobicContact CE2-CB 3.79Å; F306-A321 HydrophobicContact CZ-CB 3.61Å; F306-A321 PolarHBondContact N-O 3.28Å
307D90.9Very high85.3Confident21 Ų2140.4 Ų40.411%0.11221%0.206CC..EExtended strand (participates in β ladder)trans-132.3149.4172.5-172.742000113Q12 S264 Q309 A320 A321Q12-D307 WeakPolarHBondContact CG-OD2 3.41Å; Q12-D307 PolarHBondContact NE2-OD2 3.34Å; S264-D307 WeakPolarHBondContact CB-OD1 3.06Å; S264-D307 PolarHBondContact OG-OD1 2.66Å; D307-Q309 WeakPolarHBondContact OD2-CG 3.48Å; D307-Q309 PolarHBondContact OD2-NE2 3.37Å; D307-A320 WeakPolarHBondContact O-CA 3.48Å; D307-A321 HydrophobicContact CB-CB 4.22Å; D307-A321 PolarHBondContact O-N 2.93Å
308V93.8Very high85.5Confident0 Ų036.9 Ų36.90%019%0.19CC..EExtended strand (participates in β ladder)trans-144.9132175.665.80000109.8S264 S266 L276 I284 S319 A320S264-V308 PolarHBondContact OG-N 3.46Å; S266-V308 WeakPolarHBondContact CB-O 3.37Å; L276-V308 HydrophobicContact CB-CG1 4.35Å; L276-V308 HydrophobicContact CB-CG2 4.3Å; L276-V308 HydrophobicContact CD1-CG2 3.98Å; I284-V308 HydrophobicContact CD1-CG2 4.3Å; I284-V308 HydrophobicContact CG2-CG2 4.36Å; V308-S319 CarbonylContact C-O 3.53Å; V308-S319 VanDerWaalsContact CA-O 3.32Å; V308-S319 WeakPolarHBondContact CA-O 3.27Å; V308-A320 HydrophobicContact CG2-CB 4.49Å
309Q94Very high85.9Confident46 Ų4636.6 Ų36.622%0.21519%0.189CC..EExtended strand (participates in β ladder)trans-138.9137.8-176.6-66.8-176.522.600113Q12 D307 L318 S319Q12-Q309 PolarHBondContact O-NE2 2.77Å; D307-Q309 WeakPolarHBondContact OD2-CG 3.48Å; D307-Q309 PolarHBondContact OD2-NE2 3.37Å; Q309-L318 CarbonylContact O-C 3.58Å; Q309-L318 VanDerWaalsContact O-CA 3.27Å; Q309-L318 WeakPolarHBondContact O-CA 3.35Å; Q309-S319 PolarHBondContact N-O 2.68Å; Q309-S319 PolarHBondContact O-N 3.06Å
310W93.9Very high86.8Confident15 Ų1535 Ų356%0.05718%0.179CC..EExtended strand (participates in β ladder)trans-73.2140.5163.4-70.7102.5000111.3S266 W267 L274 L276 P312 P315 L318 V332S266-W310 VanDerWaalsContact C-CD1 3.45Å; S266-W310 PolarHBondContact O-NE1 2.81Å; S266-W310 PolarHBondContact OG-N 2.76Å; W267-W310 VanDerWaalsContact C-CD1 3.49Å; L274-W310 HydrophobicContact CB-CH2 4.26Å; L274-W310 HydrophobicContact CB-CZ2 3.87Å; L274-W310 HydrophobicContact CD1-CH2 4.1Å; L276-W310 HydrophobicContact CD1-CD2 3.84Å; L276-W310 VanDerWaalsContact CD1-CE2 3.4Å; L276-W310 HydrophobicContact CD1-CE3 4.48Å; L276-W310 HydrophobicContact CD1-CG 4.2Å; L276-W310 HydrophobicContact CD1-CH2 4.39Å; L276-W310 HydrophobicContact CD1-CZ2 3.72Å; L276-W310 HydrophobicContact CD2-CZ2 4.17Å; L276-W310 HydrophobicContact CG-CH2 4.5Å; L276-W310 HydrophobicContact CG-CZ2 3.59Å; W310-P312 WeakPolarHBondContact O-CD 3.47Å; W310-P315 WeakPolarHBondContact CZ3-O 3.31Å; W310-L318 HydrophobicContact CE3-CB 4.39Å; W310-V332 HydrophobicContact CH2-CG1 4.41Å; W310-V332 HydrophobicContact CH2-CG2 3.81Å; W310-V332 HydrophobicContact CZ3-CB 4.46Å; W310-V332 HydrophobicContact CZ3-CG2 3.65Å
311C91.8Very high87.8Confident4 Ų433.5 Ų33.53%0.02717%0.169CC..  trans-71.5123.8169.4-176.40000110.5W14 R313 L317W14-C311 HydrophobicContact CD2-CB 3.93Å; W14-C311 HydrophobicContact CE3-CB 4.16Å; W14-C311 HydrophobicContact CG-CB 4.48Å; W14-C311 HydrophobicContact CH2-CB 4.2Å; W14-C311 HydrophobicContact CZ2-CB 3.96Å; W14-C311 HydrophobicContact CZ3-CB 4.3Å; C311-R313 VanDerWaalsContact C-N 3.32Å; C311-R313 PolarHBondContact O-N 3.28Å; C311-L317 HydrophobicContact CB-CB 3.75Å; C311-L317 HydrophobicContact CB-CD1 4.47Å; C311-L317 PolarHBondContact N-O 2.99Å
312P88.6Confident89Confident63 Ų6332.1 Ų32.141%0.40916%0.161SC..SBendtrans-66.2-27.6-178.6-2435.4000114.7W14 A17 W310W14-P312 HydrophobicContact CB-CG 4.08Å; A17-P312 HydrophobicContact CB-CB 4.13Å; A17-P312 WeakPolarHBondContact CB-O 3.45Å; W310-P312 WeakPolarHBondContact O-CD 3.47Å
313R87.1Confident89.7Confident92 Ų9229.1 Ų29.135%0.34714%0.141SC..SBendtrans-84.7-41.4180-174.1172.5-179.9108.93113A17 G18 H19 I22 C311A17-R313 WeakPolarHBondContact O-CG 3.31Å; A17-R313 PolarHBondContact O-NH1 3.17Å; G18-R313 PolarHBondContact O-NH1 2.67Å; G18-R313 VanDerWaalsContact O-NH1 3.13Å; H19-R313 VanDerWaalsContact O-CD 3.26Å; H19-R313 WeakPolarHBondContact O-CD 3.27Å; H19-R313 PolarHBondContact O-NH1 3.4Å; I22-R313 HydrophobicContact CD1-CB 4.32Å; I22-R313 HydrophobicContact CD1-CG 4.46Å; I22-R313 HydrophobicContact CG1-CB 4.41Å; C311-R313 VanDerWaalsContact C-N 3.32Å; C311-R313 PolarHBondContact O-N 3.28Å
314N89.1Confident89.7Confident57 Ų5727.8 Ų27.831%0.30514%0.136SC..  trans-125.399.4-174.9-177.8-7.4000110.1I22 A316 L317I22-N314 HydrophobicContact CD1-CB 4.35Å; N314-A316 PolarHBondContact O-N 3.41Å; N314-A316 WeakPolarHBondContact OD1-CB 3.45Å; N314-A316 PolarHBondContact OD1-N 2.96Å; N314-A316 VanDerWaalsContact OD1-N 3.15Å; N314-L317 HydrophobicContact CB-CD1 3.79Å; N314-L317 HydrophobicContact CB-CG 4.03Å; N314-L317 WeakPolarHBondContact O-CB 3.3Å; N314-L317 PolarHBondContact O-N 3.26Å
315P87.8Confident89.6Confident19 Ų1924.6 Ų24.612%0.12313%0.126CC..THydrogen-bonded Turntrans-71.3-2.9-173.631.6-38.3000113.9S270 W310 L317 W388S270-P315 WeakPolarHBondContact OG-CB 3.33Å; W310-P315 WeakPolarHBondContact CZ3-O 3.31Å; P315-L317 VanDerWaalsContact C-N 3.27Å; P315-W388 VanDerWaalsContact C-CZ2 3.48Å; P315-W388 HydrophobicContact CB-CD2 4.09Å; P315-W388 HydrophobicContact CB-CE3 3.9Å; P315-W388 HydrophobicContact CB-CH2 3.77Å; P315-W388 HydrophobicContact CB-CZ2 3.97Å; P315-W388 HydrophobicContact CB-CZ3 3.72Å; P315-W388 HydrophobicContact CG-CD2 3.68Å; P315-W388 HydrophobicContact CG-CE3 3.9Å; P315-W388 HydrophobicContact CG-CG 4.06Å; P315-W388 HydrophobicContact CG-CH2 4.4Å; P315-W388 HydrophobicContact CG-CZ2 4.22Å; P315-W388 HydrophobicContact CG-CZ3 4.24Å; P315-W388 WeakPolarHBondContact O-CH2 3.45Å; P315-W388 WeakPolarHBondContact O-CZ2 3.47Å
316A87.3Confident89.4Confident15 Ų1527.4 Ų27.412%0.12414%0.136CC..THydrogen-bonded Turntrans-79.2-8.1168.100000113.5N314 V332 M333N314-A316 PolarHBondContact O-N 3.41Å; N314-A316 WeakPolarHBondContact OD1-CB 3.45Å; N314-A316 PolarHBondContact OD1-N 2.96Å; N314-A316 VanDerWaalsContact OD1-N 3.15Å; A316-V332 PolarHBondContact O-N 3.42Å; A316-M333 HydrophobicContact CB-CE 4.29Å; A316-M333 HydrophobicContact CB-CG 4.28Å
317L90Very high89.5Confident5 Ų526.6 Ų26.63%0.02613%0.132CC..EExtended strand (participates in β ladder)trans-107.8139.1-177.2-53177.1000111.9L3 I22 M48 F50 C311 N314 P315L3-L317 HydrophobicContact CD1-CD2 3.38Å; I22-L317 HydrophobicContact CD1-CD1 4.46Å; M48-L317 HydrophobicContact CE-CD1 4.18Å; M48-L317 HydrophobicContact CE-CD2 4.38Å; M48-L317 HydrophobicContact SD-CD1 3.86Å; F50-L317 HydrophobicContact CE1-CD1 4.49Å; F50-L317 HydrophobicContact CE1-CD2 4.46Å; F50-L317 HydrophobicContact CZ-CD1 3.83Å; C311-L317 HydrophobicContact CB-CB 3.75Å; C311-L317 HydrophobicContact CB-CD1 4.47Å; C311-L317 PolarHBondContact N-O 2.99Å; N314-L317 HydrophobicContact CB-CD1 3.79Å; N314-L317 HydrophobicContact CB-CG 4.03Å; N314-L317 WeakPolarHBondContact O-CB 3.3Å; N314-L317 PolarHBondContact O-N 3.26Å; P315-L317 VanDerWaalsContact C-N 3.27Å
318L91.2Very high89.4Confident1 Ų125.8 Ų25.81%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-135.2152.2167.365.186.9000110L276 L298 Q309 W310 V329 Y330 V332L276-L318 HydrophobicContact CD1-CB 3.76Å; L276-L318 HydrophobicContact CD1-CD2 3.62Å; L276-L318 HydrophobicContact CD1-CG 4.2Å; L276-L318 HydrophobicContact CD2-CD2 3.87Å; L276-L318 HydrophobicContact CG-CD2 4.4Å; L298-L318 HydrophobicContact CD1-CD1 4.34Å; L298-L318 HydrophobicContact CD1-CD2 4.34Å; L298-L318 HydrophobicContact CD2-CD1 4Å; Q309-L318 CarbonylContact O-C 3.58Å; Q309-L318 VanDerWaalsContact O-CA 3.27Å; Q309-L318 WeakPolarHBondContact O-CA 3.35Å; W310-L318 HydrophobicContact CE3-CB 4.39Å; L318-V329 CarbonylContact O-C 3.56Å; L318-V329 WeakPolarHBondContact O-CA 3.44Å; L318-V329 WeakPolarHBondContact O-CG1 3.42Å; L318-Y330 HydrophobicContact CD1-CD2 3.81Å; L318-Y330 HydrophobicContact CD1-CG 4.14Å; L318-Y330 PolarHBondContact N-O 3.1Å; L318-Y330 VanDerWaalsContact N-O 3.16Å; L318-Y330 PolarHBondContact O-N 3.13Å; L318-V332 HydrophobicContact CD2-CG2 3.44Å; L318-V332 VanDerWaalsContact CD2-CG2 3.44Å; L318-V332 HydrophobicContact CG-CG2 4.23Å
319S92.3Very high89.3Confident0 Ų025.8 Ų25.80%013%0.128CC..EExtended strand (participates in β ladder)trans-120.1145.5171.857.10000111Q12 W14 V308 Q309 T328Q12-S319 PolarHBondContact NE2-O 2.9Å; Q12-S319 PolarHBondContact OE1-OG 3.47Å; W14-S319 PolarHBondContact NE1-OG 3.37Å; V308-S319 CarbonylContact C-O 3.53Å; V308-S319 VanDerWaalsContact CA-O 3.32Å; V308-S319 WeakPolarHBondContact CA-O 3.27Å; Q309-S319 PolarHBondContact N-O 2.68Å; Q309-S319 PolarHBondContact O-N 3.06Å; S319-T328 WeakPolarHBondContact CA-O 3.4Å
320A92.3Very high89Confident1 Ų123.9 Ų23.91%0.00812%0.119CC..EExtended strand (participates in β ladder)trans-129.5130.4175.600000110.3I284 C305 D307 V308 I327 T328 Y330I284-A320 HydrophobicContact CD1-CB 3.42Å; I284-A320 VanDerWaalsContact CD1-CB 3.42Å; C305-A320 HydrophobicContact CB-CB 4.27Å; D307-A320 WeakPolarHBondContact O-CA 3.48Å; V308-A320 HydrophobicContact CG2-CB 4.49Å; A320-I327 WeakPolarHBondContact O-CA 3.4Å; A320-T328 PolarHBondContact N-O 3.29Å; A320-T328 PolarHBondContact O-N 3.4Å; A320-Y330 HydrophobicContact CB-CE2 4.21Å
321A91.2Very high88.6Confident0 Ų024 Ų240%012%0.122CC..EExtended strand (participates in β ladder)trans-99.1113.4176.800000110.1C305 F306 D307 I327C305-A321 CarbonylContact C-O 3.48Å; C305-A321 WeakPolarHBondContact CA-O 3.48Å; C305-A321 VanDerWaalsContact CB-O 3.24Å; C305-A321 WeakPolarHBondContact CB-O 3.29Å; F306-A321 WeakPolarHBondContact CD1-O 3.49Å; F306-A321 HydrophobicContact CD2-CB 4.43Å; F306-A321 HydrophobicContact CE1-CB 4.1Å; F306-A321 HydrophobicContact CE2-CB 3.79Å; F306-A321 HydrophobicContact CZ-CB 3.61Å; F306-A321 PolarHBondContact N-O 3.28Å; D307-A321 HydrophobicContact CB-CB 4.22Å; D307-A321 PolarHBondContact O-N 2.93Å; A321-I327 HydrophobicContact CB-CD1 4.1Å; A321-I327 HydrophobicContact CB-CG1 3.92Å
322S89.3Confident88.1Confident5 Ų524 Ų244%0.03512%0.123CC..EExtended strand (participates in β ladder)trans-97.6147.6-172.2-1800000112.2D324 G325 R326S322-D324 WeakPolarHBondContact CB-OD1 3.43Å; S322-D324 PolarHBondContact O-N 3.27Å; S322-D324 PolarHBondContact OG-OD1 3.05Å; S322-D324 PolarHBondContact OG-OD2 2.97Å; S322-G325 PolarHBondContact O-N 3.3Å; S322-R326 VanDerWaalsContact CB-O 3.25Å; S322-R326 WeakPolarHBondContact CB-O 3.48Å; S322-R326 PolarHBondContact N-O 3.31Å
323F84.8Confident87.4Confident89 Ų8925.3 Ų25.339%0.3912%0.124SC..THydrogen-bonded Turntrans-67.9-14177.8-159-87.6000113.2Q32 W304 G325Q32-F323 HydrophobicContact CB-CE2 4.46Å; Q32-F323 HydrophobicContact CG-CD2 4.17Å; Q32-F323 HydrophobicContact CG-CE2 3.99Å; W304-F323 HydrophobicContact CD2-CB 4.44Å; W304-F323 AromaticContact CH2-CD2 3.66Å; W304-F323 HydrophobicContact CH2-CD2 3.66Å; W304-F323 AromaticContact CH2-CE2 3.94Å; W304-F323 HydrophobicContact CH2-CE2 3.94Å; W304-F323 HydrophobicContact CH2-CG 4.36Å; W304-F323 AromaticContact CZ2-CD2 3.93Å; W304-F323 HydrophobicContact CZ2-CD2 3.93Å; W304-F323 HydrophobicContact CZ2-CE2 4.23Å; W304-F323 HydrophobicContact CZ2-CG 4.22Å; W304-F323 AromaticContact CZ3-CD2 3.99Å; W304-F323 HydrophobicContact CZ3-CD2 3.99Å; W304-F323 PolarHBondContact O-N 3.32Å; W304-F323 VanDerWaalsContact O-N 3.08Å; F323-G325 PolarHBondContact O-N 3.09Å
324D82.1Confident86.3Confident56 Ų5622 Ų2230%0.29912%0.119SC..THydrogen-bonded Turntrans-7814.9170.760.411.2000114.3T301 Q303 S322 R326T301-D324 WeakPolarHBondContact CB-OD2 3.38Å; T301-D324 PolarHBondContact OG1-OD2 3.35Å; Q303-D324 HydrophobicContact CB-CB 4.42Å; Q303-D324 HydrophobicContact CG-CB 4.08Å; S322-D324 WeakPolarHBondContact CB-OD1 3.43Å; S322-D324 PolarHBondContact O-N 3.27Å; S322-D324 PolarHBondContact OG-OD1 3.05Å; S322-D324 PolarHBondContact OG-OD2 2.97Å; D324-R326 VanDerWaalsContact C-N 3.32Å; D324-R326 PolarHBondContact O-N 2.91Å; D324-R326 WeakPolarHBondContact OD1-CB 3.44Å; D324-R326 PolarHBondContact OD1-N 3.47Å
325G83.2Confident84.9Confident5 Ų521.7 Ų21.75%0.05213%0.129CC..SBendtrans73.920.2178.200000113.9Q7 R8 S322 F323Q7-G325 CarbonylContact C-O 3.39Å; Q7-G325 VanDerWaalsContact C-O 3.3Å; Q7-G325 WeakPolarHBondContact CA-O 3.31Å; R8-G325 CarbonylContact C-O 3.55Å; R8-G325 PolarHBondContact N-O 2.82Å; R8-G325 CarbonylContact O-C 3.57Å; S322-G325 PolarHBondContact O-N 3.3Å; F323-G325 PolarHBondContact O-N 3.09Å
326R87.5Confident83.3Confident62 Ų6224.9 Ų24.923%0.23415%0.152CC..EExtended strand (participates in β ladder)trans-115.2133.4178.9-63168.2-178.8-108-1.2111E5 I6 S322 D324E5-R326 HydrophobicContact CG-CB 4.49Å; E5-R326 WeakPolarHBondContact OE1-CD 3.43Å; E5-R326 IonicContact OE1-CZ 3.41Å; E5-R326 IonicContact OE1-NE 2.7Å; E5-R326 IonicContact OE1-NH1 3.85Å; E5-R326 PolarHBondContact OE1-NH1 2.58Å; I6-R326 CarbonylContact O-C 3.55Å; I6-R326 WeakPolarHBondContact O-CA 3.17Å; S322-R326 VanDerWaalsContact CB-O 3.25Å; S322-R326 WeakPolarHBondContact CB-O 3.48Å; S322-R326 PolarHBondContact N-O 3.31Å; D324-R326 VanDerWaalsContact C-N 3.32Å; D324-R326 PolarHBondContact O-N 2.91Å; D324-R326 WeakPolarHBondContact OD1-CB 3.44Å; D324-R326 PolarHBondContact OD1-N 3.47Å
327I90.4Very high81.8Confident2 Ų226.6 Ų26.61%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-112.2114.7169.2-55.8-173.6000107.2E5 I6 A10 L24 L26 A320 A321E5-I327 CarbonylContact C-O 3.58Å; E5-I327 WeakPolarHBondContact CA-O 3.32Å; I6-I327 PolarHBondContact N-O 3.47Å; I6-I327 PolarHBondContact O-N 2.82Å; A10-I327 HydrophobicContact CB-CD1 4.03Å; A10-I327 WeakPolarHBondContact O-CD1 3.28Å; L24-I327 HydrophobicContact CD2-CG2 4.32Å; L26-I327 HydrophobicContact CD1-CD1 3.88Å; L26-I327 HydrophobicContact CD2-CD1 3.52Å; L26-I327 HydrophobicContact CG-CD1 4.32Å; A320-I327 WeakPolarHBondContact O-CA 3.4Å; A321-I327 HydrophobicContact CB-CD1 4.1Å; A321-I327 HydrophobicContact CB-CG1 3.92Å
328T89.9Confident80.1Confident4 Ų433.7 Ų33.73%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-116.7131-171.9-53.50000110.3R2 E5 S319 A320 Y330R2-T328 HydrophobicContact CB-CG2 3.98Å; R2-T328 HydrophobicContact CG-CG2 3.52Å; E5-T328 PolarHBondContact OE2-OG1 2.83Å; S319-T328 WeakPolarHBondContact CA-O 3.4Å; A320-T328 PolarHBondContact N-O 3.29Å; A320-T328 PolarHBondContact O-N 3.4Å; T328-Y330 HydrophobicContact CG2-CD2 3.98Å; T328-Y330 HydrophobicContact CG2-CE1 4.22Å; T328-Y330 HydrophobicContact CG2-CE2 3.46Å; T328-Y330 VanDerWaalsContact CG2-CE2 3.46Å; T328-Y330 WeakPolarHBondContact O-CD2 3.28Å; T328-Y330 WeakPolarHBondContact O-CE2 3.42Å
329V90.8Very high78.3Confident1 Ų137.2 Ų37.21%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-96131.4173.1-169.30000109.9R2 L3 K4 W14 M48 M57 L318R2-V329 CarbonylContact C-O 3.53Å; R2-V329 WeakPolarHBondContact CA-O 3.3Å; L3-V329 PolarHBondContact N-O 3.41Å; K4-V329 HydrophobicContact CB-CB 4.44Å; K4-V329 HydrophobicContact CB-CG2 4.49Å; K4-V329 PolarHBondContact O-N 3.02Å; W14-V329 HydrophobicContact CH2-CG1 3.86Å; W14-V329 HydrophobicContact CH2-CG2 4.14Å; W14-V329 HydrophobicContact CZ2-CG1 4.16Å; W14-V329 HydrophobicContact CZ2-CG2 4.47Å; M48-V329 HydrophobicContact CE-CB 4.11Å; M48-V329 HydrophobicContact CE-CG1 3.52Å; M48-V329 HydrophobicContact SD-CG1 4.15Å; M57-V329 HydrophobicContact SD-CG2 4.2Å; L318-V329 CarbonylContact O-C 3.56Å; L318-V329 WeakPolarHBondContact O-CA 3.44Å; L318-V329 WeakPolarHBondContact O-CG1 3.42Å
330Y87.8Confident76.5Confident5 Ų539 Ų392%0.0223%0.227CC..EExtended strand (participates in β ladder)trans-121.5151.7-176.3-60.8-105.7000111.8M1 R2 L298 L318 A320 T328M1-Y330 HydrophobicContact CE-CD1 4.34Å; M1-Y330 HydrophobicContact CG-CD1 4.5Å; M1-Y330 WeakPolarHBondContact O-CA 3.41Å; R2-Y330 HydrophobicContact CG-CD1 3.87Å; R2-Y330 HydrophobicContact CG-CE1 3.57Å; R2-Y330 PolarHBondContact NE-OH 3.13Å; L298-Y330 HydrophobicContact CD1-CD1 3.9Å; L298-Y330 HydrophobicContact CD1-CG 4.04Å; L298-Y330 HydrophobicContact CD2-CD1 3.96Å; L298-Y330 HydrophobicContact CD2-CD2 3.91Å; L298-Y330 HydrophobicContact CD2-CE1 3.91Å; L298-Y330 HydrophobicContact CD2-CE2 3.87Å; L298-Y330 HydrophobicContact CD2-CG 3.97Å; L298-Y330 HydrophobicContact CG-CD1 4.03Å; L298-Y330 HydrophobicContact CG-CE1 4.13Å; L298-Y330 HydrophobicContact CG-CG 4.38Å; L318-Y330 HydrophobicContact CD1-CD2 3.81Å; L318-Y330 HydrophobicContact CD1-CG 4.14Å; L318-Y330 PolarHBondContact N-O 3.1Å; L318-Y330 VanDerWaalsContact N-O 3.16Å; L318-Y330 PolarHBondContact O-N 3.13Å; A320-Y330 HydrophobicContact CB-CE2 4.21Å; T328-Y330 HydrophobicContact CG2-CD2 3.98Å; T328-Y330 HydrophobicContact CG2-CE1 4.22Å; T328-Y330 HydrophobicContact CG2-CE2 3.46Å; T328-Y330 VanDerWaalsContact CG2-CE2 3.46Å; T328-Y330 WeakPolarHBondContact O-CD2 3.28Å; T328-Y330 WeakPolarHBondContact O-CE2 3.42Å
331S86.1Confident74.9Confident18 Ų1843.5 Ų43.513%0.12625%0.248CC..EExtended strand (participates in β ladder)trans-93.3126.7166.6178.10000111.5M1 M333 G334M1-S331 PolarHBondContact O-N 3.36Å; S331-M333 VanDerWaalsContact C-N 3.26Å; S331-M333 PolarHBondContact O-N 3.5Å; S331-M333 PolarHBondContact OG-N 3.16Å; S331-G334 PolarHBondContact O-N 3.36Å; S331-G334 VanDerWaalsContact O-N 3.16Å; S331-G334 PolarHBondContact OG-O 3.41Å
332V81.3Confident73.3Confident5 Ų549 Ų493%0.0327%0.273CS..THydrogen-bonded Turntrans-71.7-20.1172.7165.10000112.8W310 A316 L318 G334 L382W310-V332 HydrophobicContact CH2-CG1 4.41Å; W310-V332 HydrophobicContact CH2-CG2 3.81Å; W310-V332 HydrophobicContact CZ3-CB 4.46Å; W310-V332 HydrophobicContact CZ3-CG2 3.65Å; A316-V332 PolarHBondContact O-N 3.42Å; L318-V332 HydrophobicContact CD2-CG2 3.44Å; L318-V332 VanDerWaalsContact CD2-CG2 3.44Å; L318-V332 HydrophobicContact CG-CG2 4.23Å; V332-G334 PolarHBondContact O-N 2.82Å; V332-L382 HydrophobicContact CG1-CD1 3.76Å; V332-L382 HydrophobicContact CG1-CD2 4.27Å
333M73.8Confident71.8Confident89 Ų8950.6 Ų50.644%0.43828%0.284SS..THydrogen-bonded Turntrans-80.43.6171.4-55.6-59.4166.600112.6A316 S331 P386 W388 V389A316-M333 HydrophobicContact CB-CE 4.29Å; A316-M333 HydrophobicContact CB-CG 4.28Å; S331-M333 VanDerWaalsContact C-N 3.26Å; S331-M333 PolarHBondContact O-N 3.5Å; S331-M333 PolarHBondContact OG-N 3.16Å; M333-P386 HydrophobicContact CE-CG 3.88Å; M333-W388 HydrophobicContact CE-CZ2 3.85Å; M333-W388 VanDerWaalsContact CE-NE1 3.33Å; M333-V389 HydrophobicContact CE-CG2 3.49Å; M333-V389 VanDerWaalsContact CE-CG2 3.49Å; M333-V389 HydrophobicContact SD-CG2 4.35Å
334G65.1Low70.5Confident23 Ų2349.8 Ų49.824%0.23729%0.287CS..  trans77.3-161.2179.500000113.8S331 V332S331-G334 PolarHBondContact O-N 3.36Å; S331-G334 VanDerWaalsContact O-N 3.16Å; S331-G334 PolarHBondContact OG-O 3.41Å; V332-G334 PolarHBondContact O-N 2.82Å
335G59.6Low69.4Low51 Ų5149.4 Ų49.453%0.52629%0.291SS..  trans154.1158.2177.600000111.4L337G335-L337 PolarHBondContact O-N 3.05Å
336S53.7Low68.3Low85 Ų8553 Ų5359%0.59431%0.31SS*.  trans-54.8135.2-174.3-1740000113.1K338S336-K338 PolarHBondContact OG-N 3.47Å
337L54.9Low66.9Low52 Ų5253.7 Ų53.727%0.27232%0.316SS..SBendtrans-83.7-17.3175.2-158.172.9000112.4G335 A339 Q340 Q341G335-L337 PolarHBondContact O-N 3.05Å; L337-A339 PolarHBondContact O-N 2.97Å; L337-Q340 WeakPolarHBondContact O-CB 3.33Å; L337-Q340 PolarHBondContact O-N 3.37Å; L337-Q341 PolarHBondContact O-N 3.16Å
338K55.6Low65.6Low154 Ų15458 Ų5867%0.6734%0.338SS*.Hα-helixtrans-62.3-40.4-172.1-61.8-168.1175.3-167.70113.1S336 Q340 Q341 Q342S336-K338 PolarHBondContact OG-N 3.47Å; K338-Q340 VanDerWaalsContact C-N 3.29Å; K338-Q340 PolarHBondContact O-N 3.36Å; K338-Q341 PolarHBondContact O-N 3.29Å; K338-Q342 PolarHBondContact O-N 3.04Å
339A53.1Low64.2Low74 Ų7461 Ų6161%0.61236%0.36SS*.Hα-helixtrans-65.4-32.617600000112.7L337 S343L337-A339 PolarHBondContact O-N 2.97Å; A339-S343 WeakPolarHBondContact O-CB 3.39Å; A339-S343 PolarHBondContact O-N 3.28Å
340Q54.9Low62.8Low39 Ų3964.3 Ų64.318%0.18238%0.383CS..Hα-helixtrans-72.6-39.8177.4-175.1-176.8-35.800111.4L337 K338 T344L337-Q340 WeakPolarHBondContact O-CB 3.33Å; L337-Q340 PolarHBondContact O-N 3.37Å; K338-Q340 VanDerWaalsContact C-N 3.29Å; K338-Q340 PolarHBondContact O-N 3.36Å; Q340-T344 WeakPolarHBondContact O-CB 3.13Å; Q340-T344 PolarHBondContact O-N 2.89Å; Q340-T344 PolarHBondContact O-OG1 2.76Å
341Q57.7Low61.2Low94 Ų9468.1 Ų68.144%0.43941%0.41SS..Hα-helixtrans-62.1-45.3172.9-71.8172.4-31.600111.4L337 K338 T344 A345L337-Q341 PolarHBondContact O-N 3.16Å; K338-Q341 PolarHBondContact O-N 3.29Å; Q341-T344 PolarHBondContact O-N 2.79Å; Q341-A345 PolarHBondContact O-N 3.22Å
342Q57.3Low59.8Low116 Ų11675.2 Ų75.254%0.54244%0.439SS..Hα-helixtrans-59.1-57176.4-166.66456.700111.1K338 T344 A345 D346K338-Q342 PolarHBondContact O-N 3.04Å; Q342-T344 PolarHBondContact O-N 3.16Å; Q342-T344 VanDerWaalsContact O-N 3.16Å; Q342-A345 WeakPolarHBondContact O-CA 3.2Å; Q342-A345 WeakPolarHBondContact O-CB 2.89Å; Q342-A345 PolarHBondContact O-N 3.49Å; Q342-D346 PolarHBondContact NE2-OD1 2.97Å; Q342-D346 PolarHBondContact O-N 3.09Å
343S58.4Low58.3Low38 Ų3880 Ų8027%0.26646%0.464SS..Hα-helixtrans-58.1-32.8179.2172.50000113.7A339 M347A339-S343 WeakPolarHBondContact O-CB 3.39Å; A339-S343 PolarHBondContact O-N 3.28Å; S343-M347 VanDerWaalsContact O-CB 3.23Å; S343-M347 WeakPolarHBondContact O-CB 3.47Å; S343-M347 PolarHBondContact O-N 3.02Å
344T58.2Low57.1Low73 Ų7381.5 Ų81.545%0.44848%0.479SS..Hα-helixtrans-69.8-41.1174.6-51.70000111.4Q340 Q341 Q342 I348Q340-T344 WeakPolarHBondContact O-CB 3.13Å; Q340-T344 PolarHBondContact O-N 2.89Å; Q340-T344 PolarHBondContact O-OG1 2.76Å; Q341-T344 PolarHBondContact O-N 2.79Å; Q342-T344 PolarHBondContact O-N 3.16Å; Q342-T344 VanDerWaalsContact O-N 3.16Å; T344-I348 HydrophobicContact CG2-CD1 4.09Å; T344-I348 WeakPolarHBondContact O-CB 3.32Å; T344-I348 WeakPolarHBondContact O-CD1 3.37Å; T344-I348 VanDerWaalsContact O-CG1 3.24Å; T344-I348 WeakPolarHBondContact O-CG1 3.46Å; T344-I348 PolarHBondContact O-N 2.9Å
345A59.2Low56.3Low47 Ų4788.8 Ų88.839%0.38851%0.509SS..Hα-helixtrans-67.3-39.4175.700000112.1Q341 Q342 I348 S349Q341-A345 PolarHBondContact O-N 3.22Å; Q342-A345 WeakPolarHBondContact O-CA 3.2Å; Q342-A345 WeakPolarHBondContact O-CB 2.89Å; Q342-A345 PolarHBondContact O-N 3.49Å; A345-I348 PolarHBondContact O-N 2.95Å; A345-S349 WeakPolarHBondContact O-CB 3.41Å; A345-S349 PolarHBondContact O-N 2.9Å; A345-S349 PolarHBondContact O-OG 3.45Å
346D59.7Low55.7Low82 Ų8289.2 Ų89.244%0.43950%0.499SS..Hα-helixtrans-66.3-43.2177.6-53.9-26.9000110.7Q342 S349 S350Q342-D346 PolarHBondContact NE2-OD1 2.97Å; Q342-D346 PolarHBondContact O-N 3.09Å; D346-S349 WeakPolarHBondContact O-CB 3.38Å; D346-S349 PolarHBondContact O-N 3.34Å; D346-S350 PolarHBondContact O-N 2.9Å; D346-S350 PolarHBondContact O-OG 3.05Å
347M58.7Low55.4Low75 Ų7590.2 Ų90.237%0.36950%0.504SS..Hα-helixtrans-64.9-37.9175.4-175.9-174.3-63.300112.7S343 S350 S351S343-M347 VanDerWaalsContact O-CB 3.23Å; S343-M347 WeakPolarHBondContact O-CB 3.47Å; S343-M347 PolarHBondContact O-N 3.02Å; M347-S350 PolarHBondContact O-OG 3.44Å; M347-S351 WeakPolarHBondContact O-CB 3.49Å; M347-S351 PolarHBondContact O-N 3.16Å; M347-S351 PolarHBondContact O-OG 3.31Å
348I63Low55.4Low93 Ų9396.4 Ų96.448%0.47753%0.529SS..Hα-helixtrans-65-42.9172.6-72.6166.2000110.1T344 A345 S351 F352T344-I348 HydrophobicContact CG2-CD1 4.09Å; T344-I348 WeakPolarHBondContact O-CB 3.32Å; T344-I348 WeakPolarHBondContact O-CD1 3.37Å; T344-I348 VanDerWaalsContact O-CG1 3.24Å; T344-I348 WeakPolarHBondContact O-CG1 3.46Å; T344-I348 PolarHBondContact O-N 2.9Å; A345-I348 PolarHBondContact O-N 2.95Å; I348-S351 WeakPolarHBondContact O-CB 3.41Å; I348-S351 PolarHBondContact O-N 2.91Å; I348-F352 HydrophobicContact CG2-CD2 4.27Å; I348-F352 HydrophobicContact CG2-CE2 4.09Å; I348-F352 VanDerWaalsContact O-CD2 3.27Å; I348-F352 WeakPolarHBondContact O-CD2 3.32Å
349S60Low55.1Low67 Ų6792.4 Ų92.447%0.46953%0.531SS..Hα-helixtrans-61.8-51.6-179.8-56.10000111.4A345 D346 S351 F352 D353A345-S349 WeakPolarHBondContact O-CB 3.41Å; A345-S349 PolarHBondContact O-N 2.9Å; A345-S349 PolarHBondContact O-OG 3.45Å; D346-S349 WeakPolarHBondContact O-CB 3.38Å; D346-S349 PolarHBondContact O-N 3.34Å; S349-S351 PolarHBondContact O-N 3.2Å; S349-F352 PolarHBondContact O-N 3.48Å; S349-D353 PolarHBondContact O-N 3.06Å
350S60.2Low55.4Low71 Ų7194.1 Ų94.150%0.49753%0.534SS..Hα-helixtrans-65.3-22178.8630000113.9D346 M347 F352D346-S350 PolarHBondContact O-N 2.9Å; D346-S350 PolarHBondContact O-OG 3.05Å; M347-S350 PolarHBondContact O-OG 3.44Å; S350-F352 VanDerWaalsContact C-N 3.28Å; S350-F352 PolarHBondContact O-N 2.94Å
351S54.8Low55.2Low85 Ų8595.7 Ų95.759%0.59456%0.561SS**Hα-helixtrans-72.3-17.9174.1-60.80000113.6M347 I348 S349M347-S351 WeakPolarHBondContact O-CB 3.49Å; M347-S351 PolarHBondContact O-N 3.16Å; M347-S351 PolarHBondContact O-OG 3.31Å; I348-S351 WeakPolarHBondContact O-CB 3.41Å; I348-S351 PolarHBondContact O-N 2.91Å; S349-S351 PolarHBondContact O-N 3.2Å
352F57.3Low54.9Low166 Ų16699.1 Ų99.173%0.72858%0.577SS**Hα-helixtrans-101.8-13178.2-75-68.6000114.2I348 S349 S350 T354I348-F352 HydrophobicContact CG2-CD2 4.27Å; I348-F352 HydrophobicContact CG2-CE2 4.09Å; I348-F352 VanDerWaalsContact O-CD2 3.27Å; I348-F352 WeakPolarHBondContact O-CD2 3.32Å; S349-F352 PolarHBondContact O-N 3.48Å; S350-F352 VanDerWaalsContact C-N 3.28Å; S350-F352 PolarHBondContact O-N 2.94Å; F352-T354 PolarHBondContact O-N 3.44Å
353D49.6Very low54.2Low106 Ų10699.1 Ų99.157%0.56759%0.585SS**THydrogen-bonded Turntrans-67.70.8179.6-82.9-38.4000114.8S349S349-D353 PolarHBondContact O-N 3.06Å
354T48.1Very low53.5Low121 Ų121103.9 Ų103.974%0.74261%0.606SS**THydrogen-bonded Turntrans-126.520.6-172.7-34.60000115.3F352F352-T354 PolarHBondContact O-N 3.44Å
355M48.1Very low53.1Low176 Ų176105.5 Ų105.587%0.86762%0.618SS**  trans-147.996.9168.5-115.5168.5-172.300114.5P357M355-P357 WeakPolarHBondContact O-CD 3.23Å
356D48.2Very low52.3Low59 Ų59108.5 Ų108.532%0.31663%0.634SS.*  trans-84.8112.6162.3176.4-9.3000108.9F358 G359 T360 G361D356-F358 PolarHBondContact O-N 3.37Å; D356-F358 WeakPolarHBondContact OD1-CA 3.48Å; D356-F358 PolarHBondContact OD1-N 2.91Å; D356-G359 VanDerWaalsContact CG-N 3.34Å; D356-G359 PolarHBondContact OD1-N 3.19Å; D356-G359 VanDerWaalsContact OD1-N 3.1Å; D356-G359 PolarHBondContact OD2-N 3.33Å; D356-T360 WeakPolarHBondContact OD2-CA 3.24Å; D356-T360 PolarHBondContact OD2-N 3.31Å; D356-T360 PolarHBondContact OD2-OG1 2.98Å; D356-G361 PolarHBondContact OD2-N 2.92Å
357P47.6Very low51.3Low107 Ų107112.1 Ų112.170%0.69565%0.652SS**THydrogen-bonded Turntrans-73-3.1-17829.6-33.9000114.5M355M355-P357 WeakPolarHBondContact O-CD 3.23Å
358F53.2Low50.5Low182 Ų182117.5 Ų117.580%0.79868%0.676SS**THydrogen-bonded Turntrans-123.40.7178.6-69.2-77.7000114.4D356 T360D356-F358 PolarHBondContact O-N 3.37Å; D356-F358 WeakPolarHBondContact OD1-CA 3.48Å; D356-F358 PolarHBondContact OD1-N 2.91Å; F358-T360 HydrophobicContact CB-CG2 4.48Å; F358-T360 PolarHBondContact O-N 2.77Å
359G50.3Low49.3Very low70 Ų70118.4 Ų118.472%0.72269%0.686SS**  trans67.531.9168.200000115.5D356D356-G359 VanDerWaalsContact CG-N 3.34Å; D356-G359 PolarHBondContact OD1-N 3.19Å; D356-G359 VanDerWaalsContact OD1-N 3.1Å; D356-G359 PolarHBondContact OD2-N 3.33Å
360T58.5Low48Very low109 Ų109120.8 Ų120.867%0.66970%0.7SS**  trans-95.1-20.4-178.260.40000114.2D356 F358D356-T360 WeakPolarHBondContact OD2-CA 3.24Å; D356-T360 PolarHBondContact OD2-N 3.31Å; D356-T360 PolarHBondContact OD2-OG1 2.98Å; F358-T360 HydrophobicContact CB-CG2 4.48Å; F358-T360 PolarHBondContact O-N 2.77Å
361G51.7Low46.8Very low72 Ų72126 Ų12674%0.74272%0.716SS**  trans75.621.517000000115.3D356D356-G361 PolarHBondContact OD2-N 2.92Å
362Q50Low46Very low167 Ų167126.8 Ų126.878%0.7872%0.719SS**  trans-105.6132.9165.4-71.5-160.2-18.300111.1L364Q362-L364 PolarHBondContact O-N 3.33Å
363V44Very low44.7Very low116 Ų116124.5 Ų124.570%0.70372%0.724SS**PPolyproline II helixtrans-69.8121.9175.8-165.80000108.8
364L42.8Very low44.1Very low138 Ų138125 Ų12572%0.72373%0.73SS**PPolyproline II helixtrans-68.4142.6173.7-77.2168.8000110.2Q362Q362-L364 PolarHBondContact O-N 3.33Å
365P49.4Very low43.4Very low106 Ų106127 Ų12769%0.68873%0.731SS**PPolyproline II helixtrans-60.4142.2171.727.3-34.1000109.7L367P365-L367 PolarHBondContact O-N 2.69Å; P365-L367 VanDerWaalsContact O-N 3.08Å
366P42.6Very low42.8Very low111 Ų111125.6 Ų125.672%0.72172%0.723SS**PPolyproline II helixtrans-60.5117.1-169.822.6-33.7000111.1Q368P366-Q368 PolarHBondContact O-N 2.87Å; P366-Q368 VanDerWaalsContact O-N 3.09Å
367L40.1Very low42.5Very low158 Ų158127.2 Ų127.283%0.82774%0.735SS**  trans-59.1114.8175.2-87.7164.7000109.2P365 V369P365-L367 PolarHBondContact O-N 2.69Å; P365-L367 VanDerWaalsContact O-N 3.08Å; L367-V369 PolarHBondContact O-N 3.14Å
368Q41.5Very low42.4Very low188 Ų188128.8 Ų128.888%0.87974%0.736SS**  trans-73.279172.1-76.8161.2-9.700109.1P366P366-Q368 PolarHBondContact O-N 2.87Å; P366-Q368 VanDerWaalsContact O-N 3.09Å
369V36.8Very low42.4Very low111 Ų111121.7 Ų121.767%0.67371%0.707SS**  trans-47.6126.2161.4-179.70000107L367 Q371L367-V369 PolarHBondContact O-N 3.14Å; V369-Q371 PolarHBondContact O-N 2.93Å
370P33.6Very low42.7Very low117 Ų117122 Ų12276%0.7670%0.697SS**  trans-58.1106.5175.4-23.934000108.7P372P370-P372 WeakPolarHBondContact O-CD 3.45Å; P370-P372 VanDerWaalsContact O-N 3.12Å
371Q35Very low42.9Very low181 Ų181122.4 Ų122.485%0.84670%0.701SS**  trans-59120.7174.9-73.2-176.7-1200106.9V369V369-Q371 PolarHBondContact O-N 2.93Å
372P37Very low43.8Very low102 Ų102120.3 Ų120.366%0.66267%0.673SS**  trans-56.9146.6165.227.5-33.6000107P370 V374P370-P372 WeakPolarHBondContact O-CD 3.45Å; P370-P372 VanDerWaalsContact O-N 3.12Å; P372-V374 PolarHBondContact O-N 2.89Å
373S31.4Very low44.7Very low117 Ų117118.6 Ų118.682%0.81866%0.663SS**  trans-6979.4-175.758.30000111Q375S373-Q375 PolarHBondContact O-N 2.73Å
374V35.8Very low46.1Very low116 Ų116117.7 Ų117.770%0.70365%0.649SS**  trans-64.1105.9174.4-1790000106.6P372 E376P372-V374 PolarHBondContact O-N 2.89Å; V374-E376 PolarHBondContact O-N 3.3Å
375Q34.7Very low47.8Very low163 Ų163114.5 Ų114.576%0.76264%0.637SS**  trans-56.6130.6173.9-66.9177-37.800108.4S373 T377S373-Q375 PolarHBondContact O-N 2.73Å; Q375-T377 PolarHBondContact O-N 2.96Å; Q375-T377 PolarHBondContact O-OG1 2.76Å
376E35.1Very low49.5Very low148 Ų148109.5 Ų109.569%0.69260%0.604SS**  trans-62.289.8170.1-72.6-164.5134.900108.4V374 I378V374-E376 PolarHBondContact O-N 3.3Å; E376-I378 PolarHBondContact O-N 3.07Å
377T42.2Very low51.4Low92 Ų92107.8 Ų107.856%0.56459%0.585SS**  trans-76.379.2178.1-55.30000107.1Q375 V379Q375-T377 PolarHBondContact O-N 2.96Å; Q375-T377 PolarHBondContact O-OG1 2.76Å; T377-V379 VanDerWaalsContact C-N 3.29Å; T377-V379 PolarHBondContact O-N 2.7Å
378I44.6Very low53.5Low141 Ų141104.2 Ų104.272%0.72356%0.561SS**  trans-61.396.7170.8-61174.1000106.2E376 P380E376-I378 PolarHBondContact O-N 3.07Å; I378-P380 WeakPolarHBondContact O-CD 3.29Å; I378-P380 VanDerWaalsContact O-N 3.12Å
379V53.3Low55.5Low32 Ų3298.7 Ų98.719%0.19454%0.54CS..PPolyproline II helixtrans-59.4117.4179.6-171.10000107.6M1 Y296 P299 T377M1-V379 HydrophobicContact CE-CG1 4.45Å; M1-V379 HydrophobicContact SD-CB 4.45Å; M1-V379 HydrophobicContact SD-CG1 4.46Å; M1-V379 HydrophobicContact SD-CG2 3.98Å; Y296-V379 HydrophobicContact CD2-CG1 4.19Å; Y296-V379 HydrophobicContact CE2-CG1 3.44Å; Y296-V379 VanDerWaalsContact CE2-CG1 3.44Å; P299-V379 HydrophobicContact CB-CG2 4.45Å; P299-V379 HydrophobicContact CG-CG2 3.63Å; T377-V379 VanDerWaalsContact C-N 3.29Å; T377-V379 PolarHBondContact O-N 2.7Å
380P56.7Low57.5Low77 Ų7798 Ų9850%0.553%0.525SS..PPolyproline II helixtrans-64.8137.5-176.326-33.6000109.3Y296 I378Y296-P380 VanDerWaalsContact CD2-O 3.25Å; Y296-P380 WeakPolarHBondContact CD2-O 3.08Å; Y296-P380 VanDerWaalsContact CE2-O 3.22Å; Y296-P380 WeakPolarHBondContact CE2-O 3.42Å; I378-P380 WeakPolarHBondContact O-CD 3.29Å; I378-P380 VanDerWaalsContact O-N 3.12Å
381P62.5Low59.6Low117 Ų117102.5 Ų102.576%0.7653%0.527SS*.PPolyproline II helixtrans-60.5152.5171.527.9-34.7000110K383P381-K383 PolarHBondContact O-N 2.92Å; P381-K383 VanDerWaalsContact O-N 3.17Å
382L70.1Confident61.6Low28 Ų2897.8 Ų97.815%0.14751%0.512CS..PPolyproline II helixtrans-49.8122-179.1-58.9169.1000111.2I295 Y296 V332 K384 P386I295-L382 HydrophobicContact CG2-CB 4.5Å; I295-L382 HydrophobicContact CG2-CD2 4.21Å; Y296-L382 HydrophobicContact CD1-CD2 4.36Å; Y296-L382 HydrophobicContact CD2-CD2 3.83Å; Y296-L382 HydrophobicContact CE2-CD2 4.36Å; Y296-L382 HydrophobicContact CG-CD2 3.81Å; V332-L382 HydrophobicContact CG1-CD1 3.76Å; V332-L382 HydrophobicContact CG1-CD2 4.27Å; L382-K384 WeakPolarHBondContact CB-O 3.49Å; L382-K384 PolarHBondContact O-N 2.71Å; L382-P386 HydrophobicContact CD1-CG 3.77Å
383K69.9Low63.9Low132 Ų13297 Ų9757%0.57451%0.505SS*.SBendtrans-51.7-27.8179.2-63173.3178.51700113.5E293 V294 I295 P381E293-K383 IonicContact OE2-NZ 3.99Å; E293-K383 PolarHBondContact OE2-NZ 3.24Å; V294-K383 PolarHBondContact O-NZ 3.22Å; I295-K383 HydrophobicContact CG2-CB 4.39Å; P381-K383 PolarHBondContact O-N 2.92Å; P381-K383 VanDerWaalsContact O-N 3.17Å
384K72.7Confident66.5Low97 Ų9792.4 Ų92.442%0.42248%0.477SS..SBendtrans-134.6137.6173.5-62.6175.4-177.1171.10108.2L382L382-K384 WeakPolarHBondContact CB-O 3.49Å; L382-K384 PolarHBondContact O-N 2.71Å
385P79.7Confident69.1Low70 Ų7090.6 Ų90.646%0.45547%0.474SS..  trans-64.2145.817127.6-34.2000110.6V389 R390P385-V389 HydrophobicContact CB-CB 4.48Å; P385-R390 HydrophobicContact CG-CG 4.06Å; P385-R390 VanDerWaalsContact O-CZ 3.23Å; P385-R390 PolarHBondContact O-NE 2.88Å; P385-R390 PolarHBondContact O-NH2 3.1Å
386P83.9Confident71.9Confident2 Ų286.3 Ų86.31%0.01346%0.462CS..  trans-63.3155174.2-2637.8000113.2L274 M333 L382 W388 V389 R390L274-P386 HydrophobicContact CD1-CB 3.99Å; L274-P386 HydrophobicContact CD1-CG 4.04Å; M333-P386 HydrophobicContact CE-CG 3.88Å; L382-P386 HydrophobicContact CD1-CG 3.77Å; P386-W388 VanDerWaalsContact C-N 3.27Å; P386-W388 HydrophobicContact CB-CD2 3.67Å; P386-W388 HydrophobicContact CB-CE3 3.68Å; P386-W388 HydrophobicContact CB-CH2 3.54Å; P386-W388 HydrophobicContact CB-CZ2 3.5Å; P386-W388 HydrophobicContact CB-CZ3 3.63Å; P386-W388 HydrophobicContact CG-CH2 3.93Å; P386-W388 HydrophobicContact CG-CZ2 3.69Å; P386-W388 HydrophobicContact CG-CZ3 4.5Å; P386-W388 PolarHBondContact O-N 3.47Å; P386-V389 PolarHBondContact O-N 3.34Å; P386-R390 PolarHBondContact O-N 3.03Å
387K83.4Confident74.5Confident74 Ų7486.4 Ų86.432%0.32246%0.461SS..THydrogen-bonded Turntrans-50.5-41.9-179.3-78.2177.5-166.6134.40113.4D223 D271 S272 V389 R390D223-K387 IonicContact OD2-NZ 2.68Å; D271-K387 HydrophobicContact CB-CB 4.27Å; D271-K387 HydrophobicContact CB-CD 4.4Å; D271-K387 HydrophobicContact CB-CG 4.48Å; D271-K387 WeakPolarHBondContact OD1-CD 2.97Å; D271-K387 WeakPolarHBondContact OD1-CE 3.22Å; D271-K387 WeakPolarHBondContact OD1-CG 3.41Å; D271-K387 IonicContact OD1-NZ 2.98Å; D271-K387 PolarHBondContact OD1-NZ 3.21Å; D271-K387 WeakPolarHBondContact OD2-CG 3.47Å; D271-K387 PolarHBondContact OD2-N 2.89Å; S272-K387 PolarHBondContact OG-NZ 3.16Å; K387-V389 PolarHBondContact O-N 2.97Å; K387-R390 WeakPolarHBondContact O-CB 3.39Å; K387-R390 PolarHBondContact O-N 3.41Å
388W83.8Confident76.6Confident83 Ų8383.4 Ų83.431%0.31445%0.447SS..THydrogen-bonded Turntrans-67.7-14.1-179.665.486.7000114.5D271 L274 P315 M333 P386D271-W388 HydrophobicContact CB-CE3 3.92Å; D271-W388 HydrophobicContact CB-CZ3 3.58Å; L274-W388 HydrophobicContact CD1-CH2 3.43Å; L274-W388 VanDerWaalsContact CD1-CH2 3.43Å; L274-W388 HydrophobicContact CD1-CZ2 4.5Å; L274-W388 HydrophobicContact CD1-CZ3 3.7Å; P315-W388 VanDerWaalsContact C-CZ2 3.48Å; P315-W388 HydrophobicContact CB-CD2 4.09Å; P315-W388 HydrophobicContact CB-CE3 3.9Å; P315-W388 HydrophobicContact CB-CH2 3.77Å; P315-W388 HydrophobicContact CB-CZ2 3.97Å; P315-W388 HydrophobicContact CB-CZ3 3.72Å; P315-W388 HydrophobicContact CG-CD2 3.68Å; P315-W388 HydrophobicContact CG-CE3 3.9Å; P315-W388 HydrophobicContact CG-CG 4.06Å; P315-W388 HydrophobicContact CG-CH2 4.4Å; P315-W388 HydrophobicContact CG-CZ2 4.22Å; P315-W388 HydrophobicContact CG-CZ3 4.24Å; P315-W388 WeakPolarHBondContact O-CH2 3.45Å; P315-W388 WeakPolarHBondContact O-CZ2 3.47Å; M333-W388 HydrophobicContact CE-CZ2 3.85Å; M333-W388 VanDerWaalsContact CE-NE1 3.33Å; P386-W388 VanDerWaalsContact C-N 3.27Å; P386-W388 HydrophobicContact CB-CD2 3.67Å; P386-W388 HydrophobicContact CB-CE3 3.68Å; P386-W388 HydrophobicContact CB-CH2 3.54Å; P386-W388 HydrophobicContact CB-CZ2 3.5Å; P386-W388 HydrophobicContact CB-CZ3 3.63Å; P386-W388 HydrophobicContact CG-CH2 3.93Å; P386-W388 HydrophobicContact CG-CZ2 3.69Å; P386-W388 HydrophobicContact CG-CZ3 4.5Å; P386-W388 PolarHBondContact O-N 3.47Å
389V82.9Confident78.7Confident73 Ų7379.3 Ų79.344%0.44243%0.425SS..THydrogen-bonded Turntrans-96.3-23.5171.8-175.10000111.6M333 P385 P386 K387 R391M333-V389 HydrophobicContact CE-CG2 3.49Å; M333-V389 VanDerWaalsContact CE-CG2 3.49Å; M333-V389 HydrophobicContact SD-CG2 4.35Å; P385-V389 HydrophobicContact CB-CB 4.48Å; P386-V389 PolarHBondContact O-N 3.34Å; K387-V389 PolarHBondContact O-N 2.97Å; V389-R391 PolarHBondContact O-N 2.88Å
390R80.1Confident80.2Confident95 Ų9577.9 Ų77.936%0.35842%0.416SS..  trans-71.591.9176.4-62.7177.2-158164.512.6110.2E273 P385 P386 K387 P392E273-R390 IonicContact OE2-CZ 3.7Å; E273-R390 IonicContact OE2-NH1 3.66Å; E273-R390 PolarHBondContact OE2-NH1 3.42Å; E273-R390 IonicContact OE2-NH2 3.08Å; E273-R390 PolarHBondContact OE2-NH2 3.41Å; P385-R390 HydrophobicContact CG-CG 4.06Å; P385-R390 VanDerWaalsContact O-CZ 3.23Å; P385-R390 PolarHBondContact O-NE 2.88Å; P385-R390 PolarHBondContact O-NH2 3.1Å; P386-R390 PolarHBondContact O-N 3.03Å; K387-R390 WeakPolarHBondContact O-CB 3.39Å; K387-R390 PolarHBondContact O-N 3.41Å; R390-P392 VanDerWaalsContact O-CD 3.23Å; R390-P392 WeakPolarHBondContact O-CD 3.32Å
391R76.6Confident81.6Confident213 Ų21374.8 Ų74.880%0.80440%0.398SS*.  trans-64.1113.8169.9-63.4-174.2179.8-162.5-2.1109.3V389 V393V389-R391 PolarHBondContact O-N 2.88Å; R391-V393 VanDerWaalsContact C-N 3.34Å
392P76.8Confident82.9Confident81 Ų8173 Ų7353%0.52638%0.379SS..SBendtrans-79.2-22-176.632.6-34.7000112.3R390 N408R390-P392 VanDerWaalsContact O-CD 3.23Å; R390-P392 WeakPolarHBondContact O-CD 3.32Å; P392-N408 VanDerWaalsContact O-CB 3.29Å; P392-N408 WeakPolarHBondContact O-CB 3.29Å; P392-N408 PolarHBondContact O-N 3.41Å
393V85.3Confident83.9Confident85 Ų8573.2 Ų73.252%0.51538%0.38SS..EExtended strand (participates in β ladder)trans-134157.8177.9-64.80000109.8R391 F406 E407R391-V393 VanDerWaalsContact C-N 3.34Å; V393-F406 WeakPolarHBondContact CA-O 3.49Å; V393-E407 HydrophobicContact CG1-CB 4.3Å; V393-E407 HydrophobicContact CG1-CG 4.09Å
394G87.1Confident85Confident22 Ų2270.1 Ų70.123%0.22737%0.369CS..EExtended strand (participates in β ladder)trans-157.2150.4168.400000111.7T405 F406G394-T405 CarbonylContact O-C 3.48Å; G394-T405 VanDerWaalsContact O-CA 3.29Å; G394-T405 WeakPolarHBondContact O-CA 3.37Å; G394-F406 PolarHBondContact N-O 3.27Å; G394-F406 PolarHBondContact O-N 3.39Å
395A90.6Very high85.8Confident78 Ų7867.5 Ų67.565%0.64536%0.361SS*.EExtended strand (participates in β ladder)trans-136.3143.9178.600000109.6L403 I404 T405A395-L403 HydrophobicContact CB-CD1 4.32Å; A395-I404 CarbonylContact C-O 3.55Å; A395-I404 WeakPolarHBondContact CA-O 3.03Å; A395-T405 HydrophobicContact CB-CG2 3.97Å
396S92.4Very high86.2Confident73 Ų7368.4 Ų68.451%0.5136%0.358SS..EExtended strand (participates in β ladder)trans-153.7138177.6-171.50000111I404S396-I404 PolarHBondContact N-O 3.02Å; S396-I404 PolarHBondContact O-N 3.4Å
397F89.9Confident86.1Confident150 Ų15074 Ų7466%0.65838%0.384SS*.EExtended strand (participates in β ladder)trans-87.7118.3174.9-73.1-82.7000110.8L403F397-L403 HydrophobicContact CD1-CB 4.34Å; F397-L403 HydrophobicContact CD1-CD1 4.2Å; F397-L403 HydrophobicContact CD2-CD1 4.43Å; F397-L403 HydrophobicContact CE1-CB 4.16Å; F397-L403 HydrophobicContact CE1-CD1 4.01Å; F397-L403 HydrophobicContact CE1-CG 4.48Å; F397-L403 HydrophobicContact CE2-CD1 4.25Å; F397-L403 HydrophobicContact CG-CD1 4.41Å; F397-L403 HydrophobicContact CZ-CD1 4.05Å
398G87.3Confident85.4Confident28 Ų2874.4 Ų74.429%0.28939%0.39SS..EExtended strand (participates in β ladder)trans-89.3166167.400000112.4K402G398-K402 WeakPolarHBondContact CA-O 3.49Å; G398-K402 PolarHBondContact N-O 3.04Å; G398-K402 PolarHBondContact O-N 3.33Å
399F88.1Confident84.3Confident55 Ų5573.6 Ų73.624%0.24140%0.395CS..THydrogen-bonded Turntrans-66147.6174.9-176.1-114.7000111.5A759 L764 L783 R786 L787 A790F399-A759 HydrophobicContact CE2-CB 4.06Å; F399-A759 HydrophobicContact CZ-CB 3.82Å; F399-L764 HydrophobicContact CE1-CD2 4.12Å; F399-L783 HydrophobicContact CZ-CD1 4.31Å; F399-R786 HydrophobicContact CD1-CG 4.02Å; F399-R786 VanDerWaalsContact CD2-NE 3.34Å; F399-R786 HydrophobicContact CE1-CG 3.76Å; F399-R786 HydrophobicContact CE2-CG 4.39Å; F399-R786 HydrophobicContact CG-CG 4.44Å; F399-R786 HydrophobicContact CZ-CG 3.95Å; F399-L787 HydrophobicContact CE1-CD2 4.25Å; F399-L787 HydrophobicContact CZ-CD2 4.1Å; F399-L787 HydrophobicContact CZ-CG 4.44Å; F399-A790 HydrophobicContact CD1-CB 3.66Å; F399-A790 HydrophobicContact CE1-CB 3.64Å
400G85.3Confident83.1Confident2 Ų279.6 Ų79.62%0.02142%0.415CS..THydrogen-bonded Turntrans87.521.4-175.700000115K402 Q428 A759 G762G400-K402 VanDerWaalsContact C-N 3.26Å; G400-K402 PolarHBondContact O-N 3.43Å; G400-Q428 PolarHBondContact O-NE2 3.47Å; G400-Q428 PolarHBondContact O-OE1 3.35Å; G400-A759 VanDerWaalsContact CA-O 3.22Å; G400-A759 WeakPolarHBondContact CA-O 3.43Å; G400-G762 WeakPolarHBondContact O-CA 3.43Å
401G85.8Confident81.6Confident12 Ų1281.3 Ų81.312%0.12443%0.431CS..THydrogen-bonded Turntrans72.416.9-177.500000114.3L403 V429 A760G401-L403 PolarHBondContact O-N 2.93Å; G401-V429 PolarHBondContact O-N 3.4Å; G401-A760 WeakPolarHBondContact CA-O 3.18Å; G401-A760 PolarHBondContact N-O 3.41Å
402K89.1Confident79.8Confident79 Ų7976 Ų7634%0.34342%0.424SS..EExtended strand (participates in β ladder)trans-88.2109.9-170.7-65.8178.9-176.5176.60110.7G398 G400 V426 S427G398-K402 WeakPolarHBondContact CA-O 3.49Å; G398-K402 PolarHBondContact N-O 3.04Å; G398-K402 PolarHBondContact O-N 3.33Å; G400-K402 VanDerWaalsContact C-N 3.26Å; G400-K402 PolarHBondContact O-N 3.43Å; K402-V426 HydrophobicContact CB-CG1 4.13Å; K402-V426 HydrophobicContact CD-CG1 4.41Å; K402-V426 HydrophobicContact CG-CG1 4.46Å; K402-S427 CarbonylContact C-O 3.6Å; K402-S427 WeakPolarHBondContact CA-O 3.44Å
403L90.9Very high78.3Confident34 Ų3477.8 Ų77.818%0.17844%0.436CS..EExtended strand (participates in β ladder)trans-86.3115171176.559.7000109.2A395 F397 G401 T405 S427 V429A395-L403 HydrophobicContact CB-CD1 4.32Å; F397-L403 HydrophobicContact CD1-CB 4.34Å; F397-L403 HydrophobicContact CD1-CD1 4.2Å; F397-L403 HydrophobicContact CD2-CD1 4.43Å; F397-L403 HydrophobicContact CE1-CB 4.16Å; F397-L403 HydrophobicContact CE1-CD1 4.01Å; F397-L403 HydrophobicContact CE1-CG 4.48Å; F397-L403 HydrophobicContact CE2-CD1 4.25Å; F397-L403 HydrophobicContact CG-CD1 4.41Å; F397-L403 HydrophobicContact CZ-CD1 4.05Å; G401-L403 PolarHBondContact O-N 2.93Å; L403-T405 HydrophobicContact CD1-CG2 4.24Å; L403-T405 HydrophobicContact CD2-CG2 4.31Å; L403-T405 HydrophobicContact CG-CG2 3.97Å; L403-S427 PolarHBondContact N-O 3.1Å; L403-S427 PolarHBondContact O-N 3.25Å; L403-S427 PolarHBondContact O-OG 3.39Å; L403-V429 HydrophobicContact CB-CG2 3.53Å; L403-V429 HydrophobicContact CD2-CG2 3.9Å; L403-V429 HydrophobicContact CG-CG2 4.37Å
404I92.3Very high76.4Confident66 Ų6679.4 Ų79.434%0.33845%0.446SS..EExtended strand (participates in β ladder)trans-94.5117.9175.9-53.9174.5000107.4A395 S396 V424 F425 V426A395-I404 CarbonylContact C-O 3.55Å; A395-I404 WeakPolarHBondContact CA-O 3.03Å; S396-I404 PolarHBondContact N-O 3.02Å; S396-I404 PolarHBondContact O-N 3.4Å; I404-V424 HydrophobicContact CG2-CG1 3.54Å; I404-F425 CarbonylContact C-O 3.6Å; I404-F425 WeakPolarHBondContact CA-O 3.47Å; I404-V426 HydrophobicContact CG1-CG2 4.38Å
405T90.5Very high74Confident43 Ų4386.8 Ų86.826%0.26447%0.474SS..EExtended strand (participates in β ladder)trans-122151.9172.361.50000111.9G394 A395 L403 V424 F425G394-T405 CarbonylContact O-C 3.48Å; G394-T405 VanDerWaalsContact O-CA 3.29Å; G394-T405 WeakPolarHBondContact O-CA 3.37Å; A395-T405 HydrophobicContact CB-CG2 3.97Å; L403-T405 HydrophobicContact CD1-CG2 4.24Å; L403-T405 HydrophobicContact CD2-CG2 4.31Å; L403-T405 HydrophobicContact CG-CG2 3.97Å; T405-V424 CarbonylContact O-C 3.51Å; T405-V424 WeakPolarHBondContact O-CA 3.39Å; T405-F425 PolarHBondContact N-O 2.97Å; T405-F425 PolarHBondContact O-N 3Å
406F88.1Confident71.5Confident89 Ų8987.5 Ų87.539%0.3947%0.474SS..EExtended strand (participates in β ladder)trans-131.9139.516266.4-93000109.2V393 G394 V424V393-F406 WeakPolarHBondContact CA-O 3.49Å; G394-F406 PolarHBondContact N-O 3.27Å; G394-F406 PolarHBondContact O-N 3.39Å; F406-V424 HydrophobicContact CB-CG2 4.36Å
407E82.1Confident69.2Low119 Ų11990.7 Ų90.756%0.55649%0.493SS*.EExtended strand (participates in β ladder)trans-117.7128163.4177.8168.3-157.300107.1V393 P409V393-E407 HydrophobicContact CG1-CB 4.3Å; V393-E407 HydrophobicContact CG1-CG 4.09Å; E407-P409 VanDerWaalsContact O-CD 3.29Å; E407-P409 WeakPolarHBondContact O-CD 3.36Å
408N68.7Low66.9Low83 Ų8390.9 Ų90.944%0.44450%0.496SS..  trans-90.2100.7172.8-16437.5000106.3P392 K410P392-N408 VanDerWaalsContact O-CB 3.29Å; P392-N408 WeakPolarHBondContact O-CB 3.29Å; P392-N408 PolarHBondContact O-N 3.41Å; N408-K410 PolarHBondContact O-N 3.14Å
409P61Low65.1Low66 Ų6695.5 Ų95.543%0.42952%0.521SS..  trans-60.1137.2-164.423.3-34.4000111E407 L411 V420E407-P409 VanDerWaalsContact O-CD 3.29Å; E407-P409 WeakPolarHBondContact O-CD 3.36Å; P409-L411 PolarHBondContact O-N 3.49Å; P409-V420 HydrophobicContact CG-CG1 4.39Å
410K56.2Low63.6Low199 Ų19996.7 Ų96.787%0.86553%0.533SS*.  trans-62.4102.5169.7-69.5179-177.71740107.8N408 P412N408-K410 PolarHBondContact O-N 3.14Å; K410-P412 WeakPolarHBondContact O-CD 3.2Å
411L49.3Very low62.4Low131 Ų131101 Ų10169%0.68656%0.56SS**PPolyproline II helixtrans-54.2120.9175.2-70.3170.1000108.7P409 V420P409-L411 PolarHBondContact O-N 3.49Å; L411-V420 HydrophobicContact CD2-CG2 4.06Å
412P39.7Very low61.8Low101 Ų101110.6 Ų110.666%0.65659%0.593SS**PPolyproline II helixtrans-61.6143.4163.628.6-33000107.9K410K410-P412 WeakPolarHBondContact O-CD 3.2Å
413P45Very low61.3Low119 Ų119112.2 Ų112.277%0.77360%0.602SS**SBendtrans-63.7143.1168.828.5-33.1000109.1
414V44.7Very low61.1Low119 Ų119114.8 Ų114.872%0.72162%0.619SS**SBendtrans88136.5177.9-175.50000116.2
415Q38.1Very low60.9Low177 Ų177116.6 Ų116.683%0.82762%0.624SS**SBendtrans82123.3168.5-79.5158.238.100121.1
416S36.3Very low60.9Low93 Ų93119.1 Ų119.165%0.6564%0.639SS**  trans72.4127.8169.480.10000118.5Q418S416-Q418 PolarHBondContact O-N 2.86Å
417P43.8Very low60.8Low139 Ų139117.3 Ų117.390%0.90364%0.637SS**  trans-8941.2171.638.1-36.2000112
418Q42.4Very low61.1Low154 Ų154116.2 Ų116.272%0.7263%0.632SS**  trans-83.4139.7172.6-72.2-161.1-2.300110.9S416 V420S416-Q418 PolarHBondContact O-N 2.86Å; Q418-V420 PolarHBondContact O-N 3.32Å
419P50.5Low62Low125 Ų125114.6 Ų114.681%0.81263%0.625SS**  trans-7195.6173.129.8-33.4000109.6
420V55.9Low63.1Low81 Ų81114.1 Ų114.149%0.49162%0.621SS.*  trans-52.3122177.7179.70000109.4P409 L411 Q418 R422P409-V420 HydrophobicContact CG-CG1 4.39Å; L411-V420 HydrophobicContact CD2-CG2 4.06Å; Q418-V420 PolarHBondContact O-N 3.32Å; V420-R422 PolarHBondContact O-N 3.44Å
421P61Low64.5Low92 Ų92109.6 Ų109.660%0.59761%0.611SS**  trans-65.7121.8-17725.6-33.4000109.7Q423P421-Q423 PolarHBondContact O-N 3.18Å
422R71.9Confident66.2Low213 Ų213107 Ų10780%0.80460%0.595SS**  trans-71.4101.5175.4-65.2-177.9-173.8164.44108.9V420V420-R422 PolarHBondContact O-N 3.44Å
423Q79.6Confident68.4Low114 Ų114106.8 Ų106.853%0.53359%0.592SS.*  trans-79142.5-179.7-62.8-176.48.200110.7P421 F425P421-Q423 PolarHBondContact O-N 3.18Å; Q423-F425 HydrophobicContact CB-CE2 4.34Å; Q423-F425 HydrophobicContact CB-CZ 4.07Å
424V86.1Confident70.5Confident88 Ų88106.4 Ų106.453%0.53358%0.58SS.*EExtended strand (participates in β ladder)trans-121.2118.7170.3179.70000106.3I404 T405 F406I404-V424 HydrophobicContact CG2-CG1 3.54Å; T405-V424 CarbonylContact O-C 3.51Å; T405-V424 WeakPolarHBondContact O-CA 3.39Å; F406-V424 HydrophobicContact CB-CG2 4.36Å
425F87.6Confident72.7Confident104 Ų104100.8 Ų100.846%0.45655%0.546SS..EExtended strand (participates in β ladder)trans-89.4128.4178.6-55.5-79.5000108.6I404 T405 Q423I404-F425 CarbonylContact C-O 3.6Å; I404-F425 WeakPolarHBondContact CA-O 3.47Å; T405-F425 PolarHBondContact N-O 2.97Å; T405-F425 PolarHBondContact O-N 3Å; Q423-F425 HydrophobicContact CB-CE2 4.34Å; Q423-F425 HydrophobicContact CB-CZ 4.07Å
426V90Very high75.1Confident95 Ų9593.2 Ų93.258%0.57651%0.511SS*.EExtended strand (participates in β ladder)trans-113.2102.9171.6-175.80000106.8K402 I404K402-V426 HydrophobicContact CB-CG1 4.13Å; K402-V426 HydrophobicContact CD-CG1 4.41Å; K402-V426 HydrophobicContact CG-CG1 4.46Å; I404-V426 HydrophobicContact CG1-CG2 4.38Å
427S87.3Confident77.7Confident51 Ų5193.9 Ų93.936%0.35750%0.504SS..EExtended strand (participates in β ladder)trans-101.2148.8179.154.90000111K402 L403K402-S427 CarbonylContact C-O 3.6Å; K402-S427 WeakPolarHBondContact CA-O 3.44Å; L403-S427 PolarHBondContact N-O 3.1Å; L403-S427 PolarHBondContact O-N 3.25Å; L403-S427 PolarHBondContact O-OG 3.39Å
428Q87.6Confident79.9Confident96 Ų9689.3 Ų89.345%0.44947%0.469SS..EExtended strand (participates in β ladder)trans-83.4124.6166.5-170.663.331.200108.3G400 E761G400-Q428 PolarHBondContact O-NE2 3.47Å; G400-Q428 PolarHBondContact O-OE1 3.35Å; Q428-E761 PolarHBondContact NE2-O 3.42Å
429V87.5Confident82.2Confident49 Ų4982 Ų8230%0.29744%0.435SS..  trans-105130.7167.9177.60000107.4G401 L403G401-V429 PolarHBondContact O-N 3.4Å; L403-V429 HydrophobicContact CB-CG2 3.53Å; L403-V429 HydrophobicContact CD2-CG2 3.9Å; L403-V429 HydrophobicContact CG-CG2 4.37Å
430T85.3Confident84.1Confident56 Ų5683 Ų8334%0.34442%0.422SS..  trans-122.5126.1173.2-68.30000107T433 L436 E761T430-T433 HydrophobicContact CG2-CG2 3.75Å; T430-L436 HydrophobicContact CG2-CD1 3.63Å; T430-L436 HydrophobicContact CG2-CG 4.47Å; T430-E761 WeakPolarHBondContact CA-OE2 3.35Å; T430-E761 VanDerWaalsContact CG2-OE2 3.31Å; T430-E761 WeakPolarHBondContact CG2-OE2 3.28Å
431T84.3Confident85.8Confident105 Ų10583.2 Ų83.264%0.64442%0.418SS*.SBendtrans-97.2-54.2178.419.10000110.2T433 E761T431-T433 PolarHBondContact O-N 3.34Å; T431-E761 WeakPolarHBondContact CB-OE1 3.43Å; T431-E761 PolarHBondContact N-OE1 3.43Å; T431-E761 PolarHBondContact N-OE2 3.03Å; T431-E761 PolarHBondContact OG1-OE1 2.96Å
432E85.3Confident87.2Confident76 Ų7678.9 Ų78.936%0.35539%0.389SS..  trans-96.375.1-173.7-62.6-61.4153.100112.2E434 F435 L436 P715 E761E432-E434 PolarHBondContact O-N 3.16Å; E432-F435 HydrophobicContact CB-CB 3.75Å; E432-F435 HydrophobicContact CB-CD1 4.5Å; E432-F435 HydrophobicContact CB-CG 4.43Å; E432-F435 PolarHBondContact O-N 3.06Å; E432-L436 PolarHBondContact O-N 2.97Å; E432-P715 HydrophobicContact CG-CB 4.44Å; E432-P715 HydrophobicContact CG-CG 4.21Å; E432-E761 WeakPolarHBondContact CB-OE1 3.29Å; E432-E761 PolarHBondContact N-OE1 3.17Å; E432-E761 PolarHBondContact N-OE2 3.28Å
433T86.9Confident88Confident97 Ų9769.7 Ų69.760%0.59536%0.356SS*.Hα-helixtrans-64-38.6-17854.60000113.9T430 T431 Q437T430-T433 HydrophobicContact CG2-CG2 3.75Å; T431-T433 PolarHBondContact O-N 3.34Å; T433-Q437 PolarHBondContact O-N 3.37Å
434E88.7Confident88.6Confident111 Ų11166.9 Ų66.952%0.51935%0.352SS..Hα-helixtrans-65.7-45176.9-174.7-176.415200111.3E432 Q437 R438 L716E432-E434 PolarHBondContact O-N 3.16Å; E434-Q437 WeakPolarHBondContact O-CB 3.14Å; E434-Q437 PolarHBondContact O-N 3.08Å; E434-Q437 VanDerWaalsContact O-N 3.08Å; E434-R438 PolarHBondContact O-N 3.24Å; E434-L716 HydrophobicContact CB-CD2 4.35Å; E434-L716 HydrophobicContact CG-CD2 4.1Å
435F90.1Very high88.8Confident0 Ų062.9 Ų62.90%033%0.328CS..Hα-helixtrans-57.4-50.3174.8173.7-98000111.4E432 Q437 R438 S439 P715 L716 E719 Y754 I757 L758E432-F435 HydrophobicContact CB-CB 3.75Å; E432-F435 HydrophobicContact CB-CD1 4.5Å; E432-F435 HydrophobicContact CB-CG 4.43Å; E432-F435 PolarHBondContact O-N 3.06Å; F435-Q437 PolarHBondContact O-N 2.98Å; F435-R438 PolarHBondContact O-N 2.9Å; F435-S439 WeakPolarHBondContact O-CB 3.14Å; F435-S439 PolarHBondContact O-N 3.38Å; F435-P715 HydrophobicContact CD2-CB 3.77Å; F435-P715 VanDerWaalsContact CD2-O 3.32Å; F435-P715 WeakPolarHBondContact CD2-O 3.46Å; F435-P715 HydrophobicContact CE2-CB 4.14Å; F435-P715 VanDerWaalsContact CE2-O 3.32Å; F435-P715 WeakPolarHBondContact CE2-O 3.37Å; F435-P715 HydrophobicContact CG-CB 4.16Å; F435-L716 HydrophobicContact CB-CD2 4.14Å; F435-E719 HydrophobicContact CD2-CB 3.96Å; F435-E719 HydrophobicContact CE2-CB 4.01Å; F435-Y754 AromaticContact CE2-CD2 3.88Å; F435-Y754 HydrophobicContact CE2-CD2 3.88Å; F435-Y754 AromaticContact CE2-CE2 3.49Å; F435-Y754 HydrophobicContact CE2-CE2 3.49Å; F435-Y754 VanDerWaalsContact CE2-CE2 3.49Å; F435-Y754 AromaticContact CZ-CD2 3.78Å; F435-Y754 HydrophobicContact CZ-CD2 3.78Å; F435-Y754 AromaticContact CZ-CE2 3.5Å; F435-Y754 HydrophobicContact CZ-CE2 3.5Å; F435-I757 HydrophobicContact CD1-CG2 4.07Å; F435-I757 HydrophobicContact CE1-CB 4.15Å; F435-I757 HydrophobicContact CE1-CG2 3.48Å; F435-I757 VanDerWaalsContact CE1-CG2 3.48Å; F435-I757 HydrophobicContact CE2-CG2 4.45Å; F435-I757 HydrophobicContact CZ-CB 4.04Å; F435-I757 HydrophobicContact CZ-CG2 3.71Å; F435-L758 HydrophobicContact CD1-CD2 4.42Å; F435-L758 HydrophobicContact CE1-CD2 3.59Å; F435-L758 HydrophobicContact CE1-CG 3.95Å; F435-L758 HydrophobicContact CZ-CD2 4.13Å; F435-L758 HydrophobicContact CZ-CG 4.13Å
436L88.1Confident88.8Confident19 Ų1959.1 Ų59.110%0.09931%0.313CS..Hα-helixtrans-60.1-30.8175.2-81.4-166.7000112.8T430 E432 R440 L758 E761T430-L436 HydrophobicContact CG2-CD1 3.63Å; T430-L436 HydrophobicContact CG2-CG 4.47Å; E432-L436 PolarHBondContact O-N 2.97Å; L436-R440 WeakPolarHBondContact O-CB 3.47Å; L436-R440 WeakPolarHBondContact O-CG 3.25Å; L436-R440 PolarHBondContact O-N 2.83Å; L436-R440 PolarHBondContact O-NE 2.95Å; L436-R440 PolarHBondContact O-NH2 3.28Å; L436-L758 HydrophobicContact CD2-CD2 4.04Å; L436-E761 HydrophobicContact CD1-CB 4.04Å; L436-E761 HydrophobicContact CD2-CB 3.71Å; L436-E761 HydrophobicContact CD2-CG 4.46Å; L436-E761 HydrophobicContact CG-CB 3.9Å; L436-E761 HydrophobicContact CG-CG 4.38Å
437Q90.8Very high88.7Confident107 Ų10761.6 Ų61.650%0.532%0.318SS..Hα-helixtrans-71.6-51.5175.1-179.7172.1-25.100111.4T433 E434 F435 S439 R440 E441T433-Q437 PolarHBondContact O-N 3.37Å; E434-Q437 WeakPolarHBondContact O-CB 3.14Å; E434-Q437 PolarHBondContact O-N 3.08Å; E434-Q437 VanDerWaalsContact O-N 3.08Å; F435-Q437 PolarHBondContact O-N 2.98Å; Q437-S439 VanDerWaalsContact C-N 3.32Å; Q437-S439 PolarHBondContact O-N 3.49Å; Q437-R440 WeakPolarHBondContact O-CB 3.49Å; Q437-R440 PolarHBondContact O-N 2.93Å; Q437-R440 VanDerWaalsContact O-N 3.07Å; Q437-E441 HydrophobicContact CG-CG 4.48Å; Q437-E441 VanDerWaalsContact CG-OE1 3.3Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.49Å; Q437-E441 PolarHBondContact NE2-OE1 3.48Å; Q437-E441 WeakPolarHBondContact O-CG 3.45Å; Q437-E441 PolarHBondContact O-N 3.23Å
438R90.4Very high88.7Confident43 Ų4362.9 Ų62.916%0.16233%0.327CS..Hα-helixtrans-55-46.2177.5-73.6-178.866.9167.61.4112.1E434 F435 R440 E441 L442 E719 D720 E723E434-R438 PolarHBondContact O-N 3.24Å; F435-R438 PolarHBondContact O-N 2.9Å; R438-R440 VanDerWaalsContact C-N 3.32Å; R438-R440 PolarHBondContact O-N 2.57Å; R438-E441 WeakPolarHBondContact O-CB 3.08Å; R438-E441 PolarHBondContact O-N 3.02Å; R438-E441 VanDerWaalsContact O-N 3.13Å; R438-L442 WeakPolarHBondContact O-CB 3.21Å; R438-L442 PolarHBondContact O-N 3.23Å; R438-E719 HydrophobicContact CB-CG 3.72Å; R438-D720 IonicContact NH2-OD1 2.76Å; R438-D720 PolarHBondContact NH2-OD1 3.28Å; R438-D720 VanDerWaalsContact NH2-OD1 3.17Å; R438-E723 IonicContact CZ-OE1 3.21Å; R438-E723 IonicContact CZ-OE2 3.95Å; R438-E723 IonicContact NE-OE1 3.83Å; R438-E723 PolarHBondContact NE-OE1 2.88Å; R438-E723 IonicContact NE-OE2 2.9Å; R438-E723 IonicContact NH2-OE1 3.74Å; R438-E723 PolarHBondContact NH2-OE1 3.21Å; R438-E723 IonicContact NH2-OE2 2.98Å; R438-E723 PolarHBondContact NH2-OE2 3.38Å
439S91.2Very high88.5Confident1 Ų160.1 Ų60.11%0.00732%0.324CS..Hα-helixtrans-61.8-37.4177.4-171.60000112.8F435 Q437 Q443 E719 Y754 L758F435-S439 WeakPolarHBondContact O-CB 3.14Å; F435-S439 PolarHBondContact O-N 3.38Å; Q437-S439 VanDerWaalsContact C-N 3.32Å; Q437-S439 PolarHBondContact O-N 3.49Å; S439-Q443 WeakPolarHBondContact O-CB 3.24Å; S439-Q443 PolarHBondContact O-N 2.91Å; S439-E719 WeakPolarHBondContact CA-OE1 3.48Å; S439-E719 WeakPolarHBondContact CB-OE2 3.42Å; S439-E719 PolarHBondContact N-OE1 3.03Å; S439-Y754 VanDerWaalsContact CB-OH 3.26Å; S439-Y754 WeakPolarHBondContact CB-OH 3.43Å; S439-Y754 PolarHBondContact OG-OH 3.28Å; S439-L758 WeakPolarHBondContact OG-CD2 3.39Å
440R90.8Very high88.5Confident145 Ų14559.9 Ų59.955%0.54733%0.325SS..Hα-helixtrans-68.1-39.2173.7-82.5175.8-73.6165.9-0.3112.4L436 Q437 R438 A444L436-R440 WeakPolarHBondContact O-CB 3.47Å; L436-R440 WeakPolarHBondContact O-CG 3.25Å; L436-R440 PolarHBondContact O-N 2.83Å; L436-R440 PolarHBondContact O-NE 2.95Å; L436-R440 PolarHBondContact O-NH2 3.28Å; Q437-R440 WeakPolarHBondContact O-CB 3.49Å; Q437-R440 PolarHBondContact O-N 2.93Å; Q437-R440 VanDerWaalsContact O-N 3.07Å; R438-R440 VanDerWaalsContact C-N 3.32Å; R438-R440 PolarHBondContact O-N 2.57Å; R440-A444 VanDerWaalsContact O-CB 3.26Å; R440-A444 WeakPolarHBondContact O-CB 3.46Å; R440-A444 PolarHBondContact O-N 3.49Å
441E90.9Very high88.7Confident86 Ų8658.8 Ų58.840%0.40232%0.315SS..Hα-helixtrans-66.1-42.3175.1-68.8171.2-169.100111.5Q437 R438 A445 Y454Q437-E441 HydrophobicContact CG-CG 4.48Å; Q437-E441 VanDerWaalsContact CG-OE1 3.3Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.49Å; Q437-E441 PolarHBondContact NE2-OE1 3.48Å; Q437-E441 WeakPolarHBondContact O-CG 3.45Å; Q437-E441 PolarHBondContact O-N 3.23Å; R438-E441 WeakPolarHBondContact O-CB 3.08Å; R438-E441 PolarHBondContact O-N 3.02Å; R438-E441 VanDerWaalsContact O-N 3.13Å; E441-A445 PolarHBondContact O-N 3.12Å; E441-Y454 HydrophobicContact CB-CE2 4.28Å
442L90.8Very high88.9Confident0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-61.5-51.7173.817962.1000111.1R438 A444 A445 L446 Y454 V722 E723 M727 Y770R438-L442 WeakPolarHBondContact O-CB 3.21Å; R438-L442 PolarHBondContact O-N 3.23Å; L442-A444 VanDerWaalsContact C-N 3.31Å; L442-A444 PolarHBondContact O-N 2.86Å; L442-A445 PolarHBondContact O-N 3.04Å; L442-A445 VanDerWaalsContact O-N 3.14Å; L442-L446 HydrophobicContact CD1-CD1 4.23Å; L442-L446 HydrophobicContact CD1-CG 4.27Å; L442-L446 HydrophobicContact CG-CD1 4Å; L442-L446 HydrophobicContact CG-CG 4.44Å; L442-L446 WeakPolarHBondContact O-CG 3.27Å; L442-L446 PolarHBondContact O-N 2.88Å; L442-Y454 HydrophobicContact CD1-CE1 4.12Å; L442-V722 HydrophobicContact CD2-CG1 4.12Å; L442-E723 HydrophobicContact CD1-CB 4.45Å; L442-E723 HydrophobicContact CD1-CG 4.27Å; L442-E723 HydrophobicContact CD2-CB 4.45Å; L442-E723 HydrophobicContact CD2-CG 3.91Å; L442-E723 HydrophobicContact CG-CG 4.45Å; L442-M727 HydrophobicContact CD1-CE 3.74Å; L442-Y770 WeakPolarHBondContact CD2-OH 3.25Å
443Q89.9Confident89Confident21 Ų2158.2 Ų58.210%0.09831%0.311CS..Hα-helixtrans-61.7-38.3180-176.770-19.100111.8S439 L446 Q447 T766S439-Q443 WeakPolarHBondContact O-CB 3.24Å; S439-Q443 PolarHBondContact O-N 2.91Å; Q443-L446 PolarHBondContact O-N 3.4Å; Q443-Q447 WeakPolarHBondContact O-CB 3.46Å; Q443-Q447 VanDerWaalsContact O-CG 3.3Å; Q443-Q447 WeakPolarHBondContact O-CG 3.48Å; Q443-Q447 PolarHBondContact O-N 3.48Å; Q443-T766 HydrophobicContact CB-CG2 4.41Å; Q443-T766 HydrophobicContact CG-CG2 4.26Å
444A90.3Very high89.2Confident54 Ų5454.5 Ų54.545%0.44629%0.286SS..Hα-helixtrans-63.4-43173.800000112.1R440 L442 Q447 S448R440-A444 VanDerWaalsContact O-CB 3.26Å; R440-A444 WeakPolarHBondContact O-CB 3.46Å; R440-A444 PolarHBondContact O-N 3.49Å; L442-A444 VanDerWaalsContact C-N 3.31Å; L442-A444 PolarHBondContact O-N 2.86Å; A444-Q447 PolarHBondContact O-N 3.39Å; A444-S448 VanDerWaalsContact O-CB 3.31Å; A444-S448 WeakPolarHBondContact O-CB 2.77Å; A444-S448 PolarHBondContact O-N 3.32Å; A444-S448 PolarHBondContact O-OG 2.96Å; A444-S448 VanDerWaalsContact O-OG 3.07Å
445A90.4Very high89.2Confident4 Ų449.2 Ų49.23%0.03326%0.261CS..Hα-helixtrans-66.9-36176.200000113.1E441 L442 S448 G449 S450 Y454 M727E441-A445 PolarHBondContact O-N 3.12Å; L442-A445 PolarHBondContact O-N 3.04Å; L442-A445 VanDerWaalsContact O-N 3.14Å; A445-S448 PolarHBondContact O-OG 3.43Å; A445-G449 PolarHBondContact O-N 3.43Å; A445-S450 PolarHBondContact O-N 3.41Å; A445-Y454 HydrophobicContact CB-CD2 3.53Å; A445-Y454 HydrophobicContact CB-CE2 4.21Å; A445-Y454 HydrophobicContact CB-CG 3.88Å; A445-M727 HydrophobicContact CB-CE 4.21Å
446L88Confident89.2Confident26 Ų2653.6 Ų53.614%0.13628%0.282CS..Hα-helixtrans-67.9-34.1174.9-70173.7000112.5L442 Q443 F451 M726 M727 K730 Y770L442-L446 HydrophobicContact CD1-CD1 4.23Å; L442-L446 HydrophobicContact CD1-CG 4.27Å; L442-L446 HydrophobicContact CG-CD1 4Å; L442-L446 HydrophobicContact CG-CG 4.44Å; L442-L446 WeakPolarHBondContact O-CG 3.27Å; L442-L446 PolarHBondContact O-N 2.88Å; Q443-L446 PolarHBondContact O-N 3.4Å; L446-F451 HydrophobicContact CD2-CE1 4.29Å; L446-M726 HydrophobicContact CD1-CB 4.32Å; L446-M726 HydrophobicContact CD1-CE 3.82Å; L446-M726 HydrophobicContact CD2-CB 4.29Å; L446-M727 HydrophobicContact CD2-CE 4.29Å; L446-K730 HydrophobicContact CD2-CG 3.96Å; L446-Y770 HydrophobicContact CD1-CE1 4.41Å
447Q87.4Confident89.3Confident147 Ų14754.8 Ų54.869%0.68729%0.294SS*.Hα-helixtrans-80.9-35.6176.9-71.6177.44.800113.3Q443 A444Q443-Q447 WeakPolarHBondContact O-CB 3.46Å; Q443-Q447 VanDerWaalsContact O-CG 3.3Å; Q443-Q447 WeakPolarHBondContact O-CG 3.48Å; Q443-Q447 PolarHBondContact O-N 3.48Å; A444-Q447 PolarHBondContact O-N 3.39Å
448S87.6Confident89.3Confident78 Ų7851 Ų5155%0.54528%0.276SS..Hα-helixtrans-81.9-19.4-179.970.20000113.9A444 A445 S450A444-S448 VanDerWaalsContact O-CB 3.31Å; A444-S448 WeakPolarHBondContact O-CB 2.77Å; A444-S448 PolarHBondContact O-N 3.32Å; A444-S448 PolarHBondContact O-OG 2.96Å; A444-S448 VanDerWaalsContact O-OG 3.07Å; A445-S448 PolarHBondContact O-OG 3.43Å; S448-S450 PolarHBondContact O-N 3.33Å; S448-S450 WeakPolarHBondContact OG-CB 3.48Å; S448-S450 PolarHBondContact OG-N 3.46Å; S448-S450 VanDerWaalsContact OG-N 3.13Å; S448-S450 PolarHBondContact OG-OG 2.66Å
449G84Confident89.3Confident38 Ų3850.5 Ų50.539%0.39228%0.276SS..  trans73.110.7-171.200000114.4A445 F451A445-G449 PolarHBondContact O-N 3.43Å; G449-F451 VanDerWaalsContact O-CD2 3.29Å; G449-F451 WeakPolarHBondContact O-CD2 3.35Å; G449-F451 PolarHBondContact O-N 3.16Å
450S87.9Confident89.2Confident44 Ų4458.1 Ų58.131%0.30831%0.312SS..  trans-80.545.5-173.8720000113.8A445 S448 N452 N453 Y454A445-S450 PolarHBondContact O-N 3.41Å; S448-S450 PolarHBondContact O-N 3.33Å; S448-S450 WeakPolarHBondContact OG-CB 3.48Å; S448-S450 PolarHBondContact OG-N 3.46Å; S448-S450 VanDerWaalsContact OG-N 3.13Å; S448-S450 PolarHBondContact OG-OG 2.66Å; S450-N452 PolarHBondContact O-N 2.73Å; S450-N453 PolarHBondContact O-N 2.76Å; S450-Y454 PolarHBondContact O-N 2.89Å
451F88.3Confident89.1Confident32 Ų3257.2 Ų57.214%0.1432%0.318CS..Hα-helixtrans-57-43.7-171.7-48.1-59.1000112.9L446 G449 N453 Y454 C455 F478 M727 K730L446-F451 HydrophobicContact CD2-CE1 4.29Å; G449-F451 VanDerWaalsContact O-CD2 3.29Å; G449-F451 WeakPolarHBondContact O-CD2 3.35Å; G449-F451 PolarHBondContact O-N 3.16Å; F451-N453 VanDerWaalsContact C-N 3.35Å; F451-N453 PolarHBondContact O-N 2.86Å; F451-Y454 PolarHBondContact O-N 2.76Å; F451-C455 PolarHBondContact O-N 2.83Å; F451-C455 PolarHBondContact O-SG 2.78Å; F451-F478 HydrophobicContact CB-CD1 4.03Å; F451-F478 HydrophobicContact CB-CD2 4.14Å; F451-F478 HydrophobicContact CB-CE1 3.77Å; F451-F478 HydrophobicContact CB-CE2 3.9Å; F451-F478 HydrophobicContact CB-CG 4.2Å; F451-F478 HydrophobicContact CB-CZ 3.69Å; F451-F478 HydrophobicContact CD1-CE1 4.44Å; F451-F478 HydrophobicContact CD1-CZ 4.33Å; F451-F478 AromaticContact CD2-CD1 3.91Å; F451-F478 HydrophobicContact CD2-CD1 3.91Å; F451-F478 AromaticContact CD2-CE1 3.52Å; F451-F478 HydrophobicContact CD2-CE1 3.52Å; F451-F478 HydrophobicContact CD2-CZ 4.17Å; F451-F478 HydrophobicContact CE2-CE1 4.23Å; F451-F478 HydrophobicContact CG-CD1 4.22Å; F451-F478 AromaticContact CG-CE1 3.65Å; F451-F478 HydrophobicContact CG-CE1 3.65Å; F451-F478 AromaticContact CG-CZ 3.81Å; F451-F478 HydrophobicContact CG-CZ 3.81Å; F451-M727 HydrophobicContact CB-SD 4.18Å; F451-M727 HydrophobicContact CD1-CE 4.1Å; F451-M727 HydrophobicContact CD1-SD 3.76Å; F451-M727 HydrophobicContact CG-SD 4.38Å; F451-K730 HydrophobicContact CE1-CB 4Å; F451-K730 HydrophobicContact CE1-CD 4.44Å; F451-K730 HydrophobicContact CE1-CG 3.96Å; F451-K730 HydrophobicContact CE2-CB 4.48Å; F451-K730 HydrophobicContact CZ-CB 3.97Å; F451-K730 HydrophobicContact CZ-CD 4.01Å; F451-K730 HydrophobicContact CZ-CG 3.98Å
452N88.3Confident88.9Confident60 Ų6053.7 Ų53.732%0.32130%0.303SS..Hα-helixtrans-59.3-44.8-178.8-64.55.3000111.9S450 Y454 Q456 L475 F478S450-N452 PolarHBondContact O-N 2.73Å; N452-Y454 VanDerWaalsContact C-N 3.35Å; N452-Q456 WeakPolarHBondContact O-CB 3.24Å; N452-Q456 VanDerWaalsContact O-CG 3.27Å; N452-Q456 WeakPolarHBondContact O-CG 3.49Å; N452-Q456 PolarHBondContact O-N 3.4Å; N452-L475 HydrophobicContact CB-CD1 4.03Å; N452-F478 VanDerWaalsContact OD1-CB 3.25Å; N452-F478 WeakPolarHBondContact OD1-CB 3.5Å
453N89.1Confident88.6Confident109 Ų10963.6 Ų63.658%0.58335%0.346SS*.Hα-helixtrans-66.2-39.3179.2-62.92.9000111.1S450 F451 Q456 A457S450-N453 PolarHBondContact O-N 2.76Å; F451-N453 VanDerWaalsContact C-N 3.35Å; F451-N453 PolarHBondContact O-N 2.86Å; N453-Q456 PolarHBondContact O-N 3.29Å; N453-A457 WeakPolarHBondContact O-CB 3.46Å; N453-A457 PolarHBondContact O-N 2.92Å
454Y89.7Confident88.4Confident19 Ų1965.3 Ų65.38%0.07536%0.361CS..Hα-helixtrans-64.6-50.2177.5-170.4-91.5000111.4E441 L442 A445 S450 F451 N452 Q456 A457 K458 W471 E723 M727E441-Y454 HydrophobicContact CB-CE2 4.28Å; L442-Y454 HydrophobicContact CD1-CE1 4.12Å; A445-Y454 HydrophobicContact CB-CD2 3.53Å; A445-Y454 HydrophobicContact CB-CE2 4.21Å; A445-Y454 HydrophobicContact CB-CG 3.88Å; S450-Y454 PolarHBondContact O-N 2.89Å; F451-Y454 PolarHBondContact O-N 2.76Å; N452-Y454 VanDerWaalsContact C-N 3.35Å; Y454-Q456 VanDerWaalsContact C-N 3.34Å; Y454-Q456 PolarHBondContact O-N 2.63Å; Y454-A457 PolarHBondContact O-N 3.35Å; Y454-K458 HydrophobicContact CD1-CG 4.09Å; Y454-K458 HydrophobicContact CE1-CD 4.34Å; Y454-K458 HydrophobicContact CE1-CG 3.89Å; Y454-K458 VanDerWaalsContact O-CG 3.31Å; Y454-K458 WeakPolarHBondContact O-CG 3.31Å; Y454-K458 PolarHBondContact O-N 3.2Å; Y454-K458 WeakPolarHBondContact OH-CE 3.3Å; Y454-K458 PolarHBondContact OH-NZ 3.35Å; Y454-W471 HydrophobicContact CE1-CH2 4.12Å; Y454-W471 HydrophobicContact CE1-CZ3 4.47Å; Y454-E723 VanDerWaalsContact OH-CD 3.28Å; Y454-E723 WeakPolarHBondContact OH-CG 3.46Å; Y454-E723 PolarHBondContact OH-OE1 3.36Å; Y454-M727 HydrophobicContact CD1-CE 3.56Å; Y454-M727 HydrophobicContact CD1-CG 4.49Å; Y454-M727 HydrophobicContact CD1-SD 4.25Å; Y454-M727 HydrophobicContact CE1-CE 3.94Å; Y454-M727 HydrophobicContact CG-CE 3.99Å
455C89.1Confident88.1Confident0 Ų068.5 Ų68.50%037%0.37CS..Hα-helixtrans-59.9-41.6175.7-68.70000111.9F451 K458 I459 W471 L475F451-C455 PolarHBondContact O-N 2.83Å; F451-C455 PolarHBondContact O-SG 2.78Å; C455-K458 PolarHBondContact O-N 3.19Å; C455-I459 VanDerWaalsContact O-CG1 3.3Å; C455-I459 WeakPolarHBondContact O-CG1 3.39Å; C455-I459 PolarHBondContact O-N 3.47Å; C455-W471 HydrophobicContact CB-CE3 4.4Å; C455-L475 HydrophobicContact CB-CB 4.04Å; C455-L475 HydrophobicContact CB-CD1 4.09Å
456Q90.4Very high87.7Confident93 Ų9370 Ų7044%0.43538%0.382SS..Hα-helixtrans-63.1-42.2176.2-74.9177.59.400112.9N452 N453 Y454 K458 I459 Q460 L475N452-Q456 WeakPolarHBondContact O-CB 3.24Å; N452-Q456 VanDerWaalsContact O-CG 3.27Å; N452-Q456 WeakPolarHBondContact O-CG 3.49Å; N452-Q456 PolarHBondContact O-N 3.4Å; N453-Q456 PolarHBondContact O-N 3.29Å; Y454-Q456 VanDerWaalsContact C-N 3.34Å; Y454-Q456 PolarHBondContact O-N 2.63Å; Q456-K458 VanDerWaalsContact C-N 3.32Å; Q456-K458 PolarHBondContact O-N 3.29Å; Q456-I459 PolarHBondContact O-N 2.87Å; Q456-Q460 WeakPolarHBondContact O-CG 3.29Å; Q456-Q460 PolarHBondContact O-N 2.66Å; Q456-Q460 VanDerWaalsContact O-N 3.16Å; Q456-L475 HydrophobicContact CG-CD1 4.48Å; Q456-L475 HydrophobicContact CG-CD2 3.92Å
457A90.7Very high87.5Confident44 Ų4470.2 Ų70.236%0.36438%0.383SS..Hα-helixtrans-63.2-38.5174.200000112N453 Y454 Q460 N461N453-A457 WeakPolarHBondContact O-CB 3.46Å; N453-A457 PolarHBondContact O-N 2.92Å; Y454-A457 PolarHBondContact O-N 3.35Å; A457-Q460 PolarHBondContact O-N 3.13Å; A457-N461 PolarHBondContact O-N 3.14Å; A457-N461 VanDerWaalsContact O-N 3.1Å; A457-N461 PolarHBondContact O-ND2 3.46Å
458K90.2Very high87.6Confident28 Ų2865.8 Ų65.812%0.12236%0.362CS..Hα-helixtrans-67.8-37.4175.4-66.2-72.8176.71690112.9Y454 C455 Q456 Q460 N461 A462 W471 E723Y454-K458 HydrophobicContact CD1-CG 4.09Å; Y454-K458 HydrophobicContact CE1-CD 4.34Å; Y454-K458 HydrophobicContact CE1-CG 3.89Å; Y454-K458 VanDerWaalsContact O-CG 3.31Å; Y454-K458 WeakPolarHBondContact O-CG 3.31Å; Y454-K458 PolarHBondContact O-N 3.2Å; Y454-K458 WeakPolarHBondContact OH-CE 3.3Å; Y454-K458 PolarHBondContact OH-NZ 3.35Å; C455-K458 PolarHBondContact O-N 3.19Å; Q456-K458 VanDerWaalsContact C-N 3.32Å; Q456-K458 PolarHBondContact O-N 3.29Å; K458-Q460 VanDerWaalsContact C-N 3.32Å; K458-Q460 PolarHBondContact O-N 3.11Å; K458-N461 PolarHBondContact O-N 3.4Å; K458-A462 VanDerWaalsContact O-CB 3.27Å; K458-A462 WeakPolarHBondContact O-CB 3.43Å; K458-A462 PolarHBondContact O-N 3.33Å; K458-W471 HydrophobicContact CB-CD2 3.6Å; K458-W471 HydrophobicContact CB-CE3 3.99Å; K458-W471 HydrophobicContact CB-CG 3.96Å; K458-W471 HydrophobicContact CB-CH2 4.34Å; K458-W471 HydrophobicContact CB-CZ2 3.98Å; K458-W471 HydrophobicContact CB-CZ3 4.34Å; K458-W471 HydrophobicContact CD-CH2 4.47Å; K458-W471 HydrophobicContact CD-CZ2 4.01Å; K458-W471 HydrophobicContact CG-CD2 4.31Å; K458-W471 HydrophobicContact CG-CE3 4.41Å; K458-W471 HydrophobicContact CG-CH2 3.98Å; K458-W471 HydrophobicContact CG-CZ2 3.84Å; K458-W471 HydrophobicContact CG-CZ3 4.26Å; K458-E723 WeakPolarHBondContact CE-OE2 3.24Å; K458-E723 IonicContact NZ-OE1 3.08Å; K458-E723 PolarHBondContact NZ-OE1 3.24Å; K458-E723 IonicContact NZ-OE2 2.67Å; K458-E723 PolarHBondContact NZ-OE2 3.3Å
459I90.8Very high87.6Confident32 Ų3264.5 Ų64.516%0.16435%0.349CS..Hα-helixtrans-60.1-42.1172.5-66.8164.3000110.8C455 Q456 W471 K472 L475C455-I459 VanDerWaalsContact O-CG1 3.3Å; C455-I459 WeakPolarHBondContact O-CG1 3.39Å; C455-I459 PolarHBondContact O-N 3.47Å; Q456-I459 PolarHBondContact O-N 2.87Å; I459-W471 HydrophobicContact CD1-CB 4.42Å; I459-W471 HydrophobicContact CG1-CB 3.51Å; I459-K472 HydrophobicContact CD1-CG 3.97Å; I459-K472 HydrophobicContact CG1-CG 4.38Å; I459-L475 HydrophobicContact CD1-CB 4.5Å; I459-L475 HydrophobicContact CD1-CD2 3.98Å
460Q89.6Confident87.8Confident160 Ų16062.7 Ų62.775%0.74833%0.331SS*.Hα-helixtrans-69.3-32.8179.7-67.9175.123.300113Q456 A457 K458Q456-Q460 WeakPolarHBondContact O-CG 3.29Å; Q456-Q460 PolarHBondContact O-N 2.66Å; Q456-Q460 VanDerWaalsContact O-N 3.16Å; A457-Q460 PolarHBondContact O-N 3.13Å; K458-Q460 VanDerWaalsContact C-N 3.32Å; K458-Q460 PolarHBondContact O-N 3.11Å
461N87.5Confident88Confident127 Ų12760.8 Ų60.868%0.67932%0.316SS*.Hα-helixtrans-90.8-7.5-178.9-69.8-23.1000114.3A457 K458A457-N461 PolarHBondContact O-N 3.14Å; A457-N461 VanDerWaalsContact O-N 3.1Å; A457-N461 PolarHBondContact O-ND2 3.46Å; K458-N461 PolarHBondContact O-N 3.4Å
462A87.4Confident88.1Confident11 Ų1161.7 Ų61.79%0.09132%0.32CS..  trans-73.4126.2-175.700000112.6K458 S464 E467 Q468K458-A462 VanDerWaalsContact O-CB 3.27Å; K458-A462 WeakPolarHBondContact O-CB 3.43Å; K458-A462 PolarHBondContact O-N 3.33Å; A462-S464 PolarHBondContact O-N 3.27Å; A462-E467 HydrophobicContact CB-CB 4.29Å; A462-E467 HydrophobicContact CB-CG 3.78Å; A462-Q468 HydrophobicContact CB-CG 3.64Å; A462-Q468 PolarHBondContact O-NE2 2.9Å
463K83.6Confident88.1Confident209 Ų20959 Ų5991%0.90931%0.306SS*.SBendtrans-84.2-6-170.1-61.8174.2-176.2169.60114.5
464S85.6Confident88Confident57 Ų5753.9 Ų53.940%0.39928%0.279SS..SBendtrans-140.4138.7-173.9175.60000110.6A462 A466 E467 Q468A462-S464 PolarHBondContact O-N 3.27Å; S464-A466 PolarHBondContact O-N 2.95Å; S464-E467 WeakPolarHBondContact O-CB 3.37Å; S464-E467 PolarHBondContact O-N 3.4Å; S464-Q468 PolarHBondContact O-N 3.35Å
465D84.3Confident88Confident121 Ų12153.9 Ų53.965%0.64728%0.28SS*.Hα-helixtrans-55.8-39.9-179.6-56.3-35.1000112E467 Q468 D469D465-E467 VanDerWaalsContact C-N 3.3Å; D465-E467 PolarHBondContact O-N 2.86Å; D465-Q468 WeakPolarHBondContact O-CB 3.41Å; D465-Q468 PolarHBondContact O-N 2.98Å; D465-D469 WeakPolarHBondContact O-CB 3.48Å; D465-D469 PolarHBondContact O-N 2.98Å
466A82.9Confident88Confident35 Ų3554.3 Ų54.329%0.28928%0.282SS..Hα-helixtrans-66.1-31.9177.900000112.6S464 I470 L687S464-A466 PolarHBondContact O-N 2.95Å; A466-I470 WeakPolarHBondContact O-CD1 3.43Å; A466-I470 WeakPolarHBondContact O-CG1 3.4Å; A466-I470 PolarHBondContact O-N 3.17Å; A466-I470 VanDerWaalsContact O-N 3.1Å; A466-L687 HydrophobicContact CB-CD1 4.09Å
467E84.2Confident87.7Confident30 Ų3051 Ų5114%0.1427%0.267CS..Hα-helixtrans-75.9-39.9173.7175.9167.5-136.200111.6A462 S464 D465 D469 I470 W471 K724A462-E467 HydrophobicContact CB-CB 4.29Å; A462-E467 HydrophobicContact CB-CG 3.78Å; S464-E467 WeakPolarHBondContact O-CB 3.37Å; S464-E467 PolarHBondContact O-N 3.4Å; D465-E467 VanDerWaalsContact C-N 3.3Å; D465-E467 PolarHBondContact O-N 2.86Å; E467-D469 VanDerWaalsContact C-N 3.25Å; E467-D469 PolarHBondContact O-N 3.25Å; E467-I470 PolarHBondContact O-N 2.97Å; E467-W471 VanDerWaalsContact O-CD1 3.26Å; E467-W471 PolarHBondContact O-N 3.46Å; E467-K724 IonicContact OE1-NZ 3.94Å; E467-K724 PolarHBondContact OE1-NZ 2.82Å
468Q88.1Confident87.4Confident54 Ų5449 Ų4925%0.25225%0.251SS..Hα-helixtrans-58.3-41.1171.3-69.3-177.214.500111.1A462 S464 D465 W471 K472A462-Q468 HydrophobicContact CB-CG 3.64Å; A462-Q468 PolarHBondContact O-NE2 2.9Å; S464-Q468 PolarHBondContact O-N 3.35Å; D465-Q468 WeakPolarHBondContact O-CB 3.41Å; D465-Q468 PolarHBondContact O-N 2.98Å; Q468-W471 PolarHBondContact O-N 3.41Å; Q468-K472 WeakPolarHBondContact O-CB 3.41Å; Q468-K472 WeakPolarHBondContact O-CD 3.41Å; Q468-K472 WeakPolarHBondContact O-CE 3.44Å; Q468-K472 WeakPolarHBondContact O-CG 3.4Å; Q468-K472 PolarHBondContact O-N 3.49Å
469D87.8Confident87.1Confident51 Ų5151 Ų5127%0.27326%0.26SS..Hα-helixtrans-65.5-42.3177.3-74.6-3.4000111.9D465 E467 W471 K472 F473D465-D469 WeakPolarHBondContact O-CB 3.48Å; D465-D469 PolarHBondContact O-N 2.98Å; E467-D469 VanDerWaalsContact C-N 3.25Å; E467-D469 PolarHBondContact O-N 3.25Å; D469-W471 VanDerWaalsContact C-N 3.34Å; D469-W471 PolarHBondContact O-N 2.98Å; D469-K472 PolarHBondContact O-N 3.49Å; D469-K472 IonicContact OD1-NZ 2.76Å; D469-K472 PolarHBondContact OD1-NZ 3.27Å; D469-F473 VanDerWaalsContact O-CD2 3.23Å; D469-F473 WeakPolarHBondContact O-CD2 3.35Å; D469-F473 PolarHBondContact O-N 3.44Å
470I89.1Confident86.3Confident1 Ų155.1 Ų55.11%0.00528%0.283CS..Hα-helixtrans-56.5-46.6171.7-73.8160.4000111.2A466 E467 F473 L474 L687 L691 I694 W706 K724A466-I470 WeakPolarHBondContact O-CD1 3.43Å; A466-I470 WeakPolarHBondContact O-CG1 3.4Å; A466-I470 PolarHBondContact O-N 3.17Å; A466-I470 VanDerWaalsContact O-N 3.1Å; E467-I470 PolarHBondContact O-N 2.97Å; I470-F473 PolarHBondContact O-N 3.17Å; I470-L474 HydrophobicContact CG2-CD1 4.08Å; I470-L474 WeakPolarHBondContact O-CG 3.34Å; I470-L474 PolarHBondContact O-N 3.38Å; I470-L687 HydrophobicContact CD1-CD2 3.94Å; I470-L691 HydrophobicContact CB-CD2 4.37Å; I470-L691 HydrophobicContact CG1-CD2 3.74Å; I470-L691 HydrophobicContact CG1-CG 4.43Å; I470-I694 HydrophobicContact CG2-CD1 3.9Å; I470-W706 HydrophobicContact CD1-CH2 4.03Å; I470-W706 HydrophobicContact CD1-CZ3 3.88Å; I470-K724 HydrophobicContact CG2-CD 3.96Å
471W91Very high85.7Confident3 Ų354.1 Ų54.11%0.01128%0.278CS..Hα-helixtrans-71-32.4178.5-74.6114.7000113.7Y454 C455 K458 I459 E467 Q468 D469 L474 L475 E723 K724 M727Y454-W471 HydrophobicContact CE1-CH2 4.12Å; Y454-W471 HydrophobicContact CE1-CZ3 4.47Å; C455-W471 HydrophobicContact CB-CE3 4.4Å; K458-W471 HydrophobicContact CB-CD2 3.6Å; K458-W471 HydrophobicContact CB-CE3 3.99Å; K458-W471 HydrophobicContact CB-CG 3.96Å; K458-W471 HydrophobicContact CB-CH2 4.34Å; K458-W471 HydrophobicContact CB-CZ2 3.98Å; K458-W471 HydrophobicContact CB-CZ3 4.34Å; K458-W471 HydrophobicContact CD-CH2 4.47Å; K458-W471 HydrophobicContact CD-CZ2 4.01Å; K458-W471 HydrophobicContact CG-CD2 4.31Å; K458-W471 HydrophobicContact CG-CE3 4.41Å; K458-W471 HydrophobicContact CG-CH2 3.98Å; K458-W471 HydrophobicContact CG-CZ2 3.84Å; K458-W471 HydrophobicContact CG-CZ3 4.26Å; I459-W471 HydrophobicContact CD1-CB 4.42Å; I459-W471 HydrophobicContact CG1-CB 3.51Å; E467-W471 VanDerWaalsContact O-CD1 3.26Å; E467-W471 PolarHBondContact O-N 3.46Å; Q468-W471 PolarHBondContact O-N 3.41Å; D469-W471 VanDerWaalsContact C-N 3.34Å; D469-W471 PolarHBondContact O-N 2.98Å; W471-L474 HydrophobicContact CD2-CD1 4.4Å; W471-L474 HydrophobicContact CE3-CB 4.46Å; W471-L474 HydrophobicContact CE3-CD1 3.86Å; W471-L474 HydrophobicContact CZ3-CD1 4.04Å; W471-L474 PolarHBondContact O-N 3.36Å; W471-L475 WeakPolarHBondContact O-CB 3.45Å; W471-L475 PolarHBondContact O-N 3.06Å; W471-E723 HydrophobicContact CH2-CB 4.04Å; W471-E723 HydrophobicContact CZ2-CB 4.3Å; W471-K724 HydrophobicContact CH2-CG 3.92Å; W471-K724 HydrophobicContact CZ2-CD 4.46Å; W471-K724 HydrophobicContact CZ2-CG 3.64Å; W471-M727 HydrophobicContact CZ3-CG 4.22Å
472K89.9Confident85.4Confident51 Ų5149.3 Ų49.322%0.22226%0.256CS..Hα-helixtrans-63.1-43.1170.8-70.9161.9-149.61570111.2I459 Q468 D469 L475 V476 L489I459-K472 HydrophobicContact CD1-CG 3.97Å; I459-K472 HydrophobicContact CG1-CG 4.38Å; Q468-K472 WeakPolarHBondContact O-CB 3.41Å; Q468-K472 WeakPolarHBondContact O-CD 3.41Å; Q468-K472 WeakPolarHBondContact O-CE 3.44Å; Q468-K472 WeakPolarHBondContact O-CG 3.4Å; Q468-K472 PolarHBondContact O-N 3.49Å; D469-K472 PolarHBondContact O-N 3.49Å; D469-K472 IonicContact OD1-NZ 2.76Å; D469-K472 PolarHBondContact OD1-NZ 3.27Å; K472-L475 PolarHBondContact O-N 2.75Å; K472-V476 WeakPolarHBondContact O-CG2 3.42Å; K472-V476 PolarHBondContact O-N 2.97Å; K472-L489 HydrophobicContact CB-CD1 3.89Å; K472-L489 HydrophobicContact CB-CD2 4.07Å; K472-L489 HydrophobicContact CD-CD2 4.23Å; K472-L489 HydrophobicContact CG-CD2 4.45Å
473F88.9Confident85.1Confident5 Ų552.5 Ų52.52%0.02227%0.265CS..Hα-helixtrans-67.6-41.2177.6-86.3-119.5000111.7D469 I470 L475 V476 N477 F486 L489 L490 L691 I694D469-F473 VanDerWaalsContact O-CD2 3.23Å; D469-F473 WeakPolarHBondContact O-CD2 3.35Å; D469-F473 PolarHBondContact O-N 3.44Å; I470-F473 PolarHBondContact O-N 3.17Å; F473-L475 VanDerWaalsContact C-N 3.35Å; F473-L475 PolarHBondContact O-N 2.74Å; F473-V476 PolarHBondContact O-N 2.92Å; F473-N477 PolarHBondContact O-N 3.27Å; F473-F486 HydrophobicContact CB-CE1 3.94Å; F473-F486 AromaticContact CD1-CD1 3.45Å; F473-F486 HydrophobicContact CD1-CD1 3.45Å; F473-F486 VanDerWaalsContact CD1-CD1 3.45Å; F473-F486 AromaticContact CD1-CE1 3.46Å; F473-F486 HydrophobicContact CD1-CE1 3.46Å; F473-F486 VanDerWaalsContact CD1-CE1 3.46Å; F473-F486 AromaticContact CE1-CD1 3.67Å; F473-F486 HydrophobicContact CE1-CD1 3.67Å; F473-F486 HydrophobicContact CE1-CE1 4.17Å; F473-F486 AromaticContact CG-CD1 3.97Å; F473-F486 HydrophobicContact CG-CD1 3.97Å; F473-F486 AromaticContact CG-CE1 3.83Å; F473-F486 HydrophobicContact CG-CE1 3.83Å; F473-F486 HydrophobicContact CZ-CD1 4.37Å; F473-F486 WeakPolarHBondContact O-CE1 3.29Å; F473-L489 HydrophobicContact CD2-CB 4.43Å; F473-L489 HydrophobicContact CD2-CD1 3.74Å; F473-L489 HydrophobicContact CE2-CB 3.8Å; F473-L489 HydrophobicContact CE2-CD1 3.96Å; F473-L489 HydrophobicContact CG-CD1 4.43Å; F473-L489 HydrophobicContact CZ-CB 4.34Å; F473-L490 HydrophobicContact CZ-CD2 3.89Å; F473-L490 HydrophobicContact CZ-CG 4.05Å; F473-L691 HydrophobicContact CB-CD2 4.07Å; F473-L691 HydrophobicContact CD1-CB 4.36Å; F473-L691 HydrophobicContact CD1-CD2 4.15Å; F473-L691 HydrophobicContact CD2-CD2 3.97Å; F473-L691 HydrophobicContact CE1-CB 4.38Å; F473-L691 HydrophobicContact CE2-CD2 4.44Å; F473-L691 HydrophobicContact CG-CD2 3.81Å; F473-I694 HydrophobicContact CB-CG2 4.04Å
474L87.7Confident85.1Confident1 Ų147.5 Ų47.51%0.00525%0.248CC..Hα-helixtrans-62.5-38.5172.9-73.3169.7000112.5I470 W471 N477 F478 I694 K724 L728I470-L474 HydrophobicContact CG2-CD1 4.08Å; I470-L474 WeakPolarHBondContact O-CG 3.34Å; I470-L474 PolarHBondContact O-N 3.38Å; W471-L474 HydrophobicContact CD2-CD1 4.4Å; W471-L474 HydrophobicContact CE3-CB 4.46Å; W471-L474 HydrophobicContact CE3-CD1 3.86Å; W471-L474 HydrophobicContact CZ3-CD1 4.04Å; W471-L474 PolarHBondContact O-N 3.36Å; L474-N477 PolarHBondContact O-N 3Å; L474-F478 VanDerWaalsContact O-CD2 3.23Å; L474-F478 WeakPolarHBondContact O-CD2 3.47Å; L474-I694 HydrophobicContact CD2-CD1 4.35Å; L474-I694 HydrophobicContact CD2-CG1 4.22Å; L474-I694 HydrophobicContact CD2-CG2 3.96Å; L474-I694 HydrophobicContact CG-CD1 4.24Å; L474-I694 HydrophobicContact CG-CG2 4.29Å; L474-K724 HydrophobicContact CD1-CB 4.14Å; L474-K724 HydrophobicContact CD1-CG 4.12Å; L474-L728 HydrophobicContact CD2-CB 3.9Å; L474-L728 HydrophobicContact CD2-CD1 4.23Å
475L89.6Confident85Confident18 Ų1847.7 Ų47.79%0.09424%0.241CC..Hα-helixtrans-62.6-45.1174.3177.662.5000111.7N452 C455 Q456 I459 W471 K472 F473 N477 F478N452-L475 HydrophobicContact CB-CD1 4.03Å; C455-L475 HydrophobicContact CB-CB 4.04Å; C455-L475 HydrophobicContact CB-CD1 4.09Å; Q456-L475 HydrophobicContact CG-CD1 4.48Å; Q456-L475 HydrophobicContact CG-CD2 3.92Å; I459-L475 HydrophobicContact CD1-CB 4.5Å; I459-L475 HydrophobicContact CD1-CD2 3.98Å; W471-L475 WeakPolarHBondContact O-CB 3.45Å; W471-L475 PolarHBondContact O-N 3.06Å; K472-L475 PolarHBondContact O-N 2.75Å; F473-L475 VanDerWaalsContact C-N 3.35Å; F473-L475 PolarHBondContact O-N 2.74Å; L475-N477 VanDerWaalsContact C-N 3.25Å; L475-N477 PolarHBondContact O-N 2.79Å; L475-F478 PolarHBondContact O-N 2.96Å
476V88.1Confident85Confident10 Ų1042.2 Ų42.26%0.06121%0.212CC..Hα-helixtrans-62.8-29.5-179.9166.60000112.8K472 F473 F478 E479 A482 K485 F486 L489K472-V476 WeakPolarHBondContact O-CG2 3.42Å; K472-V476 PolarHBondContact O-N 2.97Å; F473-V476 PolarHBondContact O-N 2.92Å; V476-F478 PolarHBondContact O-N 3.45Å; V476-E479 PolarHBondContact O-N 2.65Å; V476-A482 HydrophobicContact CG1-CB 3.96Å; V476-A482 WeakPolarHBondContact CG1-O 3.46Å; V476-K485 HydrophobicContact CB-CB 4.48Å; V476-K485 HydrophobicContact CG1-CB 3.62Å; V476-K485 HydrophobicContact CG2-CB 3.94Å; V476-F486 HydrophobicContact CB-CD1 4.26Å; V476-F486 HydrophobicContact CB-CE1 3.89Å; V476-F486 HydrophobicContact CB-CZ 4.21Å; V476-F486 HydrophobicContact CG1-CD1 3.81Å; V476-F486 HydrophobicContact CG1-CD2 4.08Å; V476-F486 HydrophobicContact CG1-CE1 3.68Å; V476-F486 HydrophobicContact CG1-CE2 3.96Å; V476-F486 HydrophobicContact CG1-CG 4Å; V476-F486 HydrophobicContact CG1-CZ 3.76Å; V476-L489 HydrophobicContact CB-CD1 4.43Å; V476-L489 HydrophobicContact CG2-CD1 3.65Å; V476-L489 HydrophobicContact CG2-CG 4.49Å
477N84.9Confident85.1Confident22 Ų2241.9 Ų41.912%0.11821%0.205CC..THydrogen-bonded Turntrans-65-12.6171.5-89.5-21.5000114.3F473 L474 L475 F486 I694F473-N477 PolarHBondContact O-N 3.27Å; L474-N477 PolarHBondContact O-N 3Å; L475-N477 VanDerWaalsContact C-N 3.25Å; L475-N477 PolarHBondContact O-N 2.79Å; N477-F486 VanDerWaalsContact OD1-CZ 3.32Å; N477-F486 WeakPolarHBondContact OD1-CZ 3.34Å; N477-I694 PolarHBondContact ND2-O 3.18Å
478F83.6Confident85Confident4 Ų447.6 Ų47.62%0.01823%0.229CC..THydrogen-bonded Turntrans-101.83.1171.2-64.7-78.2000113.5F451 N452 L474 L475 V476 M727 K730 R734F451-F478 HydrophobicContact CB-CD1 4.03Å; F451-F478 HydrophobicContact CB-CD2 4.14Å; F451-F478 HydrophobicContact CB-CE1 3.77Å; F451-F478 HydrophobicContact CB-CE2 3.9Å; F451-F478 HydrophobicContact CB-CG 4.2Å; F451-F478 HydrophobicContact CB-CZ 3.69Å; F451-F478 HydrophobicContact CD1-CE1 4.44Å; F451-F478 HydrophobicContact CD1-CZ 4.33Å; F451-F478 AromaticContact CD2-CD1 3.91Å; F451-F478 HydrophobicContact CD2-CD1 3.91Å; F451-F478 AromaticContact CD2-CE1 3.52Å; F451-F478 HydrophobicContact CD2-CE1 3.52Å; F451-F478 HydrophobicContact CD2-CZ 4.17Å; F451-F478 HydrophobicContact CE2-CE1 4.23Å; F451-F478 HydrophobicContact CG-CD1 4.22Å; F451-F478 AromaticContact CG-CE1 3.65Å; F451-F478 HydrophobicContact CG-CE1 3.65Å; F451-F478 AromaticContact CG-CZ 3.81Å; F451-F478 HydrophobicContact CG-CZ 3.81Å; N452-F478 VanDerWaalsContact OD1-CB 3.25Å; N452-F478 WeakPolarHBondContact OD1-CB 3.5Å; L474-F478 VanDerWaalsContact O-CD2 3.23Å; L474-F478 WeakPolarHBondContact O-CD2 3.47Å; L475-F478 PolarHBondContact O-N 2.96Å; V476-F478 PolarHBondContact O-N 3.45Å; F478-M727 HydrophobicContact CE2-CB 4.43Å; F478-M727 HydrophobicContact CE2-SD 4.49Å; F478-M727 VanDerWaalsContact CZ-O 3.25Å; F478-M727 WeakPolarHBondContact CZ-O 3.15Å; F478-M727 HydrophobicContact CZ-SD 4.39Å; F478-K730 HydrophobicContact CE1-CB 4.35Å; F478-K730 HydrophobicContact CZ-CB 4.36Å; F478-R734 PolarHBondContact O-NH1 2.89Å; F478-R734 PolarHBondContact O-NH2 3.39Å
479E83.6Confident84.8Confident69 Ų6948.3 Ų48.332%0.32223%0.234SC..SBendtrans-109.4148.5178.6-65.7-168.3-156.900112.5V476 K485V476-E479 PolarHBondContact O-N 2.65Å; E479-K485 HydrophobicContact CB-CD 4.11Å; E479-K485 WeakPolarHBondContact OE2-CD 3.33Å; E479-K485 WeakPolarHBondContact OE2-CE 3.46Å; E479-K485 IonicContact OE2-NZ 3.77Å; E479-K485 PolarHBondContact OE2-NZ 3.23Å
480D74.9Confident84.5Confident119 Ų11946.4 Ų46.464%0.63622%0.224SC*.THydrogen-bonded Turntrans-67.3153.8173.7-46.3-65.2000110.6A482 K485 R734D480-A482 VanDerWaalsContact C-N 3.3Å; D480-A482 PolarHBondContact O-N 3.06Å; D480-K485 WeakPolarHBondContact O-CE 3.35Å; D480-K485 PolarHBondContact O-NZ 3.41Å; D480-R734 IonicContact OD1-NH2 4Å
481E77.6Confident83.9Confident139 Ų13948.6 Ų48.665%0.6525%0.247SC*.THydrogen-bonded Turntrans59.530.3-173.6-55-171.5158.500115.6R483 I484 K485E481-R483 VanDerWaalsContact C-N 3.26Å; E481-R483 PolarHBondContact O-N 2.85Å; E481-I484 HydrophobicContact CB-CD1 4.36Å; E481-I484 PolarHBondContact O-N 2.91Å; E481-K485 PolarHBondContact O-N 2.83Å
482A80.6Confident83.3Confident25 Ų2552.4 Ų52.421%0.20726%0.264CS..Hα-helixtrans-42-43.2-175.900000115.3V476 D480 I484 K485 F486V476-A482 HydrophobicContact CG1-CB 3.96Å; V476-A482 WeakPolarHBondContact CG1-O 3.46Å; D480-A482 VanDerWaalsContact C-N 3.3Å; D480-A482 PolarHBondContact O-N 3.06Å; A482-I484 PolarHBondContact O-N 3.21Å; A482-K485 CarbonylContact O-C 3.53Å; A482-K485 PolarHBondContact O-N 3.35Å; A482-K485 VanDerWaalsContact O-N 3.14Å; A482-F486 HydrophobicContact CB-CD2 4.33Å; A482-F486 HydrophobicContact CB-CE2 3.96Å; A482-F486 WeakPolarHBondContact O-CD2 3.5Å; A482-F486 WeakPolarHBondContact O-CG 3.43Å; A482-F486 PolarHBondContact O-N 3.12Å
483R82.1Confident82.4Confident78 Ų7851.2 Ų51.229%0.29426%0.262SS..Hα-helixtrans-56-43.6177.8-74.1-173.2170.1-149.7-0.9113.9E481 K485 F486 L487 L658 A661E481-R483 VanDerWaalsContact C-N 3.26Å; E481-R483 PolarHBondContact O-N 2.85Å; R483-K485 VanDerWaalsContact C-N 3.31Å; R483-F486 PolarHBondContact O-N 3.29Å; R483-L487 WeakPolarHBondContact O-CG 3.32Å; R483-L487 PolarHBondContact O-N 3.37Å; R483-L487 VanDerWaalsContact O-N 3.13Å; R483-L658 HydrophobicContact CB-CD2 4.32Å; R483-L658 HydrophobicContact CG-CD2 4.12Å; R483-A661 PolarHBondContact NH1-O 3.19Å; R483-A661 PolarHBondContact NH2-O 2.81Å
484I82.7Confident81.6Confident104 Ų10458 Ų5853%0.53329%0.291SS..Hα-helixtrans-69.6-35.6-179.5-57.6178.7000109.9E481 A482 L487 K488E481-I484 HydrophobicContact CB-CD1 4.36Å; E481-I484 PolarHBondContact O-N 2.91Å; A482-I484 PolarHBondContact O-N 3.21Å; I484-L487 PolarHBondContact O-N 3.45Å; I484-K488 PolarHBondContact O-N 3.48Å; I484-K488 VanDerWaalsContact O-N 3.09Å
485K83.3Confident80.8Confident61 Ų6162.9 Ų62.927%0.26532%0.317SS..Hα-helixtrans-73.2-36.5178.1-66.1173-180176.50112.2V476 E479 D480 E481 A482 R483 K488 L489V476-K485 HydrophobicContact CB-CB 4.48Å; V476-K485 HydrophobicContact CG1-CB 3.62Å; V476-K485 HydrophobicContact CG2-CB 3.94Å; E479-K485 HydrophobicContact CB-CD 4.11Å; E479-K485 WeakPolarHBondContact OE2-CD 3.33Å; E479-K485 WeakPolarHBondContact OE2-CE 3.46Å; E479-K485 IonicContact OE2-NZ 3.77Å; E479-K485 PolarHBondContact OE2-NZ 3.23Å; D480-K485 WeakPolarHBondContact O-CE 3.35Å; D480-K485 PolarHBondContact O-NZ 3.41Å; E481-K485 PolarHBondContact O-N 2.83Å; A482-K485 CarbonylContact O-C 3.53Å; A482-K485 PolarHBondContact O-N 3.35Å; A482-K485 VanDerWaalsContact O-N 3.14Å; R483-K485 VanDerWaalsContact C-N 3.31Å; K485-K488 WeakPolarHBondContact O-CB 3.25Å; K485-K488 PolarHBondContact O-N 3.2Å; K485-L489 WeakPolarHBondContact O-CG 3.24Å; K485-L489 PolarHBondContact O-N 3.06Å
486F84.8Confident80Confident7 Ų765.5 Ų65.53%0.03133%0.329CS..Hα-helixtrans-61.8-44169.8-71.8-53000112.2F473 V476 N477 A482 R483 K488 L489 L490 L658F473-F486 HydrophobicContact CB-CE1 3.94Å; F473-F486 AromaticContact CD1-CD1 3.45Å; F473-F486 HydrophobicContact CD1-CD1 3.45Å; F473-F486 VanDerWaalsContact CD1-CD1 3.45Å; F473-F486 AromaticContact CD1-CE1 3.46Å; F473-F486 HydrophobicContact CD1-CE1 3.46Å; F473-F486 VanDerWaalsContact CD1-CE1 3.46Å; F473-F486 AromaticContact CE1-CD1 3.67Å; F473-F486 HydrophobicContact CE1-CD1 3.67Å; F473-F486 HydrophobicContact CE1-CE1 4.17Å; F473-F486 AromaticContact CG-CD1 3.97Å; F473-F486 HydrophobicContact CG-CD1 3.97Å; F473-F486 AromaticContact CG-CE1 3.83Å; F473-F486 HydrophobicContact CG-CE1 3.83Å; F473-F486 HydrophobicContact CZ-CD1 4.37Å; F473-F486 WeakPolarHBondContact O-CE1 3.29Å; V476-F486 HydrophobicContact CB-CD1 4.26Å; V476-F486 HydrophobicContact CB-CE1 3.89Å; V476-F486 HydrophobicContact CB-CZ 4.21Å; V476-F486 HydrophobicContact CG1-CD1 3.81Å; V476-F486 HydrophobicContact CG1-CD2 4.08Å; V476-F486 HydrophobicContact CG1-CE1 3.68Å; V476-F486 HydrophobicContact CG1-CE2 3.96Å; V476-F486 HydrophobicContact CG1-CG 4Å; V476-F486 HydrophobicContact CG1-CZ 3.76Å; N477-F486 VanDerWaalsContact OD1-CZ 3.32Å; N477-F486 WeakPolarHBondContact OD1-CZ 3.34Å; A482-F486 HydrophobicContact CB-CD2 4.33Å; A482-F486 HydrophobicContact CB-CE2 3.96Å; A482-F486 WeakPolarHBondContact O-CD2 3.5Å; A482-F486 WeakPolarHBondContact O-CG 3.43Å; A482-F486 PolarHBondContact O-N 3.12Å; R483-F486 PolarHBondContact O-N 3.29Å; F486-K488 VanDerWaalsContact C-N 3.3Å; F486-K488 PolarHBondContact O-N 3.08Å; F486-L489 PolarHBondContact O-N 3.26Å; F486-L490 WeakPolarHBondContact O-CG 3.46Å; F486-L490 PolarHBondContact O-N 2.9Å; F486-L658 HydrophobicContact CB-CD1 3.68Å; F486-L658 HydrophobicContact CB-CD2 3.94Å; F486-L658 HydrophobicContact CD2-CD2 4.09Å; F486-L658 HydrophobicContact CG-CD2 4.41Å
487L83.8Confident79.3Confident27 Ų2769.9 Ų69.914%0.14135%0.352CS..Hα-helixtrans-57.4-43.6173.2-73.7168.7000111.7R483 I484 L490 G491 F492 A655 L658R483-L487 WeakPolarHBondContact O-CG 3.32Å; R483-L487 PolarHBondContact O-N 3.37Å; R483-L487 VanDerWaalsContact O-N 3.13Å; I484-L487 PolarHBondContact O-N 3.45Å; L487-L490 PolarHBondContact O-N 3.27Å; L487-G491 PolarHBondContact O-N 3.42Å; L487-F492 HydrophobicContact CD2-CB 4.44Å; L487-F492 CarbonylContact O-C 3.57Å; L487-F492 WeakPolarHBondContact O-CA 3.28Å; L487-F492 PolarHBondContact O-N 3.26Å; L487-A655 HydrophobicContact CD2-CB 3.66Å; L487-L658 HydrophobicContact CD1-CB 4.41Å; L487-L658 HydrophobicContact CD2-CB 3.85Å; L487-L658 HydrophobicContact CD2-CD1 4.16Å; L487-L658 HydrophobicContact CG-CB 3.94Å; L487-L658 HydrophobicContact CG-CD1 4.24Å
488K83.6Confident78.6Confident151 Ų15173.6 Ų73.666%0.65737%0.368SS*.Hα-helixtrans-63.3-40.6175.6-169.7174.4-178.4174.60112.9I484 K485 F486 G491I484-K488 PolarHBondContact O-N 3.48Å; I484-K488 VanDerWaalsContact O-N 3.09Å; K485-K488 WeakPolarHBondContact O-CB 3.25Å; K485-K488 PolarHBondContact O-N 3.2Å; F486-K488 VanDerWaalsContact C-N 3.3Å; F486-K488 PolarHBondContact O-N 3.08Å; K488-G491 PolarHBondContact O-N 3.45Å
489L83Confident78Confident68 Ų6880.7 Ų80.736%0.35640%0.395SS..Hα-helixtrans-67.3-34.1175-73.3179.8000113K472 F473 V476 K485 F486 G491K472-L489 HydrophobicContact CB-CD1 3.89Å; K472-L489 HydrophobicContact CB-CD2 4.07Å; K472-L489 HydrophobicContact CD-CD2 4.23Å; K472-L489 HydrophobicContact CG-CD2 4.45Å; F473-L489 HydrophobicContact CD2-CB 4.43Å; F473-L489 HydrophobicContact CD2-CD1 3.74Å; F473-L489 HydrophobicContact CE2-CB 3.8Å; F473-L489 HydrophobicContact CE2-CD1 3.96Å; F473-L489 HydrophobicContact CG-CD1 4.43Å; F473-L489 HydrophobicContact CZ-CB 4.34Å; V476-L489 HydrophobicContact CB-CD1 4.43Å; V476-L489 HydrophobicContact CG2-CD1 3.65Å; V476-L489 HydrophobicContact CG2-CG 4.49Å; K485-L489 WeakPolarHBondContact O-CG 3.24Å; K485-L489 PolarHBondContact O-N 3.06Å; F486-L489 PolarHBondContact O-N 3.26Å; L489-G491 PolarHBondContact O-N 3.13Å
490L81.9Confident77.5Confident12 Ų1282.5 Ų82.56%0.06340%0.402CS..Hα-helixtrans-71.5-13.8175.2-71.4169.2000113.4F473 F486 L487 F492 W650 K651 L654 A655 L658F473-L490 HydrophobicContact CZ-CD2 3.89Å; F473-L490 HydrophobicContact CZ-CG 4.05Å; F486-L490 WeakPolarHBondContact O-CG 3.46Å; F486-L490 PolarHBondContact O-N 2.9Å; L487-L490 PolarHBondContact O-N 3.27Å; L490-F492 HydrophobicContact CB-CD2 3.76Å; L490-F492 HydrophobicContact CB-CE2 4.16Å; L490-W650 HydrophobicContact CD2-CH2 4.25Å; L490-W650 HydrophobicContact CD2-CZ3 4.18Å; L490-K651 HydrophobicContact CD2-CB 4.27Å; L490-K651 HydrophobicContact CD2-CD 4.39Å; L490-K651 HydrophobicContact CD2-CG 4.09Å; L490-L654 HydrophobicContact CD1-CB 4.31Å; L490-L654 HydrophobicContact CD1-CD2 4.04Å; L490-L654 HydrophobicContact CD1-CG 4.02Å; L490-L654 HydrophobicContact CD2-CD2 4.27Å; L490-A655 HydrophobicContact CD1-CB 4.45Å; L490-L658 HydrophobicContact CD1-CD1 3.59Å
491G76.4Confident77.5Confident46 Ų4680.8 Ų80.847%0.47439%0.392SS..THydrogen-bonded Turntrans102.11.3-177.900000114.7L487 K488 L489 S493L487-G491 PolarHBondContact O-N 3.42Å; K488-G491 PolarHBondContact O-N 3.45Å; L489-G491 PolarHBondContact O-N 3.13Å; G491-S493 PolarHBondContact O-N 3.29Å
492F78.3Confident77.2Confident84 Ų8478.1 Ų78.137%0.36839%0.389SS..  trans-98.172.3-177.7-60-78.9000111.1L487 L490 K651 E652 A655L487-F492 HydrophobicContact CD2-CB 4.44Å; L487-F492 CarbonylContact O-C 3.57Å; L487-F492 WeakPolarHBondContact O-CA 3.28Å; L487-F492 PolarHBondContact O-N 3.26Å; L490-F492 HydrophobicContact CB-CD2 3.76Å; L490-F492 HydrophobicContact CB-CE2 4.16Å; F492-K651 HydrophobicContact CE2-CB 4.18Å; F492-E652 HydrophobicContact CZ-CG 3.93Å; F492-A655 HydrophobicContact CD2-CB 3.56Å; F492-A655 HydrophobicContact CE2-CB 3.85Å; F492-A655 HydrophobicContact CG-CB 4.05Å
493S71.3Confident76.8Confident26 Ų2685.6 Ų85.618%0.18242%0.416CS..  trans-89.1132.6171.273.70000111.8G491 D495 E496 L497G491-S493 PolarHBondContact O-N 3.29Å; S493-D495 PolarHBondContact O-N 2.93Å; S493-E496 PolarHBondContact O-N 3.3Å; S493-E496 WeakPolarHBondContact OG-CB 3.44Å; S493-L497 PolarHBondContact O-N 3.42Å
494K71.1Confident76Confident148 Ų14887.2 Ų87.264%0.64344%0.439SS*.Hα-helixtrans-56-48.8179.3-178.4178.1169.6-178.30111.4E496 L497 E498K494-E496 VanDerWaalsContact C-N 3.26Å; K494-E496 PolarHBondContact O-N 3.23Å; K494-L497 PolarHBondContact O-N 3.34Å; K494-L497 VanDerWaalsContact O-N 3.11Å; K494-E498 WeakPolarHBondContact CE-OE1 3.44Å; K494-E498 HydrophobicContact CG-CG 4.47Å; K494-E498 IonicContact NZ-OE1 2.71Å; K494-E498 WeakPolarHBondContact O-CG 3.47Å; K494-E498 PolarHBondContact O-N 2.94Å
495D71.6Confident75.4Confident103 Ų10389 Ų8955%0.55145%0.449SS*.Hα-helixtrans-63.4-29-176.5-30.1-35.5000113.2S493 R499S493-D495 PolarHBondContact O-N 2.93Å; D495-R499 WeakPolarHBondContact O-CB 3.49Å; D495-R499 PolarHBondContact O-N 2.93Å; D495-R499 PolarHBondContact O-NH2 3.27Å
496E72Confident73.5Confident72 Ų7288.9 Ų88.934%0.33646%0.464SS..Hα-helixtrans-83.2-35.4174.9-169.8-176.4156.100112S493 K494 R499 K500S493-E496 PolarHBondContact O-N 3.3Å; S493-E496 WeakPolarHBondContact OG-CB 3.44Å; K494-E496 VanDerWaalsContact C-N 3.26Å; K494-E496 PolarHBondContact O-N 3.23Å; E496-R499 PolarHBondContact O-N 3.02Å; E496-K500 HydrophobicContact CG-CD 4.33Å; E496-K500 WeakPolarHBondContact O-CB 3.24Å; E496-K500 VanDerWaalsContact O-CG 3.31Å; E496-K500 WeakPolarHBondContact O-CG 3.29Å; E496-K500 PolarHBondContact O-N 3.09Å; E496-K500 WeakPolarHBondContact OE1-CE 3.45Å; E496-K500 IonicContact OE1-NZ 3.16Å; E496-K500 PolarHBondContact OE1-NZ 3.08Å
497L75Confident72.1Confident103 Ų10397.4 Ų97.454%0.53950%0.501SS..Hα-helixtrans-63.3-47.4172.9179.859.2000110.9S493 K494 R499 K500 I501S493-L497 PolarHBondContact O-N 3.42Å; K494-L497 PolarHBondContact O-N 3.34Å; K494-L497 VanDerWaalsContact O-N 3.11Å; L497-R499 VanDerWaalsContact C-N 3.32Å; L497-R499 PolarHBondContact O-N 2.91Å; L497-K500 PolarHBondContact O-N 3.4Å; L497-K500 VanDerWaalsContact O-N 3.13Å; L497-I501 HydrophobicContact CD1-CD1 4.01Å; L497-I501 HydrophobicContact CD1-CG1 4.22Å; L497-I501 HydrophobicContact CG-CD1 3.83Å; L497-I501 HydrophobicContact CG-CG1 4.46Å; L497-I501 WeakPolarHBondContact O-CB 3.15Å; L497-I501 VanDerWaalsContact O-CG1 3.28Å; L497-I501 WeakPolarHBondContact O-CG1 3.41Å; L497-I501 PolarHBondContact O-N 2.95Å
498E70.1Confident70.1Confident100 Ų100103.3 Ų103.347%0.46753%0.533SS..Hα-helixtrans-56.5-45.8173.9-72.7178-176.700111.1K494 K500 I501 S502K494-E498 WeakPolarHBondContact CE-OE1 3.44Å; K494-E498 HydrophobicContact CG-CG 4.47Å; K494-E498 IonicContact NZ-OE1 2.71Å; K494-E498 WeakPolarHBondContact O-CG 3.47Å; K494-E498 PolarHBondContact O-N 2.94Å; E498-K500 VanDerWaalsContact C-N 3.34Å; E498-K500 PolarHBondContact O-N 3.39Å; E498-I501 PolarHBondContact O-N 3.49Å; E498-S502 PolarHBondContact O-N 2.98Å; E498-S502 PolarHBondContact O-OG 3.23Å; E498-S502 VanDerWaalsContact O-OG 3.07Å
499R71.3Confident67.7Low152 Ų152106.3 Ų106.357%0.57455%0.546SS*.Hα-helixtrans-62.3-36176.4-163.8-174.5-48119.814.9113.4D495 E496 L497 K503D495-R499 WeakPolarHBondContact O-CB 3.49Å; D495-R499 PolarHBondContact O-N 2.93Å; D495-R499 PolarHBondContact O-NH2 3.27Å; E496-R499 PolarHBondContact O-N 3.02Å; L497-R499 VanDerWaalsContact C-N 3.32Å; L497-R499 PolarHBondContact O-N 2.91Å; R499-K503 WeakPolarHBondContact O-CB 3.42Å; R499-K503 PolarHBondContact O-N 3.35Å
500K73Confident65.7Low107 Ų107111.6 Ų111.647%0.46557%0.569SS.*Hα-helixtrans-70.3-43.6173.8-75.3167.9-178.3166.10111.1E496 L497 E498 K503 C504E496-K500 HydrophobicContact CG-CD 4.33Å; E496-K500 WeakPolarHBondContact O-CB 3.24Å; E496-K500 VanDerWaalsContact O-CG 3.31Å; E496-K500 WeakPolarHBondContact O-CG 3.29Å; E496-K500 PolarHBondContact O-N 3.09Å; E496-K500 WeakPolarHBondContact OE1-CE 3.45Å; E496-K500 IonicContact OE1-NZ 3.16Å; E496-K500 PolarHBondContact OE1-NZ 3.08Å; L497-K500 PolarHBondContact O-N 3.4Å; L497-K500 VanDerWaalsContact O-N 3.13Å; E498-K500 VanDerWaalsContact C-N 3.34Å; E498-K500 PolarHBondContact O-N 3.39Å; K500-K503 WeakPolarHBondContact O-CB 3.21Å; K500-K503 PolarHBondContact O-N 2.97Å; K500-C504 PolarHBondContact O-N 2.87Å; K500-C504 PolarHBondContact O-SG 2.97Å
501I74.1Confident63.4Low83 Ų83116.5 Ų116.543%0.42660%0.604SS.*Hα-helixtrans-59.9-50.6175.6-70.5168.8000110.4L497 E498 K503 C504 L505L497-I501 HydrophobicContact CD1-CD1 4.01Å; L497-I501 HydrophobicContact CD1-CG1 4.22Å; L497-I501 HydrophobicContact CG-CD1 3.83Å; L497-I501 HydrophobicContact CG-CG1 4.46Å; L497-I501 WeakPolarHBondContact O-CB 3.15Å; L497-I501 VanDerWaalsContact O-CG1 3.28Å; L497-I501 WeakPolarHBondContact O-CG1 3.41Å; L497-I501 PolarHBondContact O-N 2.95Å; E498-I501 PolarHBondContact O-N 3.49Å; I501-K503 PolarHBondContact O-N 3.48Å; I501-C504 PolarHBondContact O-N 3.15Å; I501-C504 VanDerWaalsContact O-N 3.09Å; I501-L505 HydrophobicContact CG2-CD1 3.73Å; I501-L505 WeakPolarHBondContact O-CD1 3.34Å; I501-L505 PolarHBondContact O-N 2.92Å
502S70.8Confident61.4Low84 Ų84121.2 Ų121.259%0.58762%0.619SS**Hα-helixtrans-61-28.3176.3-56.50000113.6E498E498-S502 PolarHBondContact O-N 2.98Å; E498-S502 PolarHBondContact O-OG 3.23Å; E498-S502 VanDerWaalsContact O-OG 3.07Å
503K72.8Confident59.8Low181 Ų181121 Ų12179%0.78764%0.64SS**Hα-helixtrans-74.6-38.3174.2-171.1179.2179.1-175.80112R499 K500 I501R499-K503 WeakPolarHBondContact O-CB 3.42Å; R499-K503 PolarHBondContact O-N 3.35Å; K500-K503 WeakPolarHBondContact O-CB 3.21Å; K500-K503 PolarHBondContact O-N 2.97Å; I501-K503 PolarHBondContact O-N 3.48Å
504C65.4Low58.2Low113 Ų113127.9 Ų127.976%0.76467%0.669SS**Hα-helixtrans-76.3-31.5177.6-68.20000113.5K500 I501 G506K500-C504 PolarHBondContact O-N 2.87Å; K500-C504 PolarHBondContact O-SG 2.97Å; I501-C504 PolarHBondContact O-N 3.15Å; I501-C504 VanDerWaalsContact O-N 3.09Å; C504-G506 VanDerWaalsContact C-N 3.28Å; C504-G506 PolarHBondContact O-N 3.42Å
505L69.7Low56.5Low142 Ų142124.5 Ų124.574%0.74368%0.676SS**THydrogen-bonded Turntrans-78.7-1.4177-91.188.6000115I501I501-L505 HydrophobicContact CG2-CD1 3.73Å; I501-L505 WeakPolarHBondContact O-CD1 3.34Å; I501-L505 PolarHBondContact O-N 2.92Å
506G44.6Very low55Low57 Ų57125 Ų12559%0.58868%0.683SS**THydrogen-bonded Turntrans68.153161.700000117.1C504C504-G506 VanDerWaalsContact C-N 3.28Å; C504-G506 PolarHBondContact O-N 3.42Å
507K53.3Low53.7Low186 Ų186126.5 Ų126.581%0.80969%0.693SS**SBendtrans48.393166.1-69.5-173.6175.1-176.20116.8
508N41.8Very low52.2Low152 Ų152125.4 Ų125.481%0.81370%0.699SS**  177.886.3114.7-90.6-13.2000111.8
509F34.7Very low51Low213 Ų213128 Ų12893%0.93471%0.708SS**  trans-134.3120.4152-100.9-89.8000107.6S511F509-S511 PolarHBondContact O-N 3.2Å
510Q40.5Very low49.7Very low179 Ų179124.3 Ų124.384%0.83670%0.7SS**  trans-83.396.2172.4-73-178.9-14.100108.7N512Q510-N512 PolarHBondContact O-N 2.81Å
511S33.9Very low48.3Very low115 Ų115124 Ų12480%0.80470%0.703SS**  trans-72.2110.2154.341.50000107.7F509 G513F509-S511 PolarHBondContact O-N 3.2Å; S511-G513 PolarHBondContact O-N 3.17Å
512N34.4Very low47Very low146 Ų146122.4 Ų122.478%0.78170%0.703SS**  trans-59.8121.2175.4-89.7-23.8000109.7Q510 H514Q510-N512 PolarHBondContact O-N 2.81Å; N512-H514 VanDerWaalsContact C-N 3.33Å; N512-H514 PolarHBondContact O-N 3.43Å
513G44.9Very low45.8Very low79 Ų79125 Ų12581%0.81471%0.705SS**  trans-73.183.3178.400000111.9S511S511-G513 PolarHBondContact O-N 3.17Å
514H36.5Very low44.6Very low171 Ų171121.7 Ų121.779%0.79269%0.691SS**  trans-137.6112.7158.6-104.7-74000109.7N512 V516N512-H514 VanDerWaalsContact C-N 3.33Å; N512-H514 PolarHBondContact O-N 3.43Å; H514-V516 PolarHBondContact O-N 3.37Å
515G36.9Very low43.4Very low76 Ų76122.5 Ų122.578%0.78469%0.685SS**PPolyproline II helixtrans-65118.7160.200000108D517G515-D517 PolarHBondContact O-N 3.3Å
516V39.4Very low42.1Very low114 Ų114122.8 Ų122.869%0.69168%0.683SS**PPolyproline II helixtrans-72.4117.7175.2179.70000107.6H514 A518H514-V516 PolarHBondContact O-N 3.37Å; V516-A518 PolarHBondContact O-N 3.11Å
517D44.1Very low42.1Very low103 Ų103130.9 Ų130.955%0.55170%0.696SS**PPolyproline II helixtrans-62.2125.9175.6-173.3-21.7000109.3G515 K519 D520G515-D517 PolarHBondContact O-N 3.3Å; D517-K519 PolarHBondContact O-N 3.45Å; D517-K519 PolarHBondContact OD1-N 3.01Å; D517-D520 PolarHBondContact O-N 3.5Å; D517-D520 VanDerWaalsContact O-N 3.08Å
518A44.9Very low41.4Very low80 Ų80129.2 Ų129.266%0.66169%0.694SS**Hα-helixtrans-58.2-21.1-179.700000113.1V516 A522V516-A518 PolarHBondContact O-N 3.11Å; A518-A522 PolarHBondContact O-N 2.89Å
519K43.6Very low41.2Very low154 Ų154127.4 Ų127.467%0.6769%0.689SS**Hα-helixtrans-69.5-41.2174.2-72.4-178.3173179.70113.6D517 L521 A522 E523D517-K519 PolarHBondContact O-N 3.45Å; D517-K519 PolarHBondContact OD1-N 3.01Å; K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.3Å; K519-A522 PolarHBondContact O-N 3.1Å; K519-A522 VanDerWaalsContact O-N 3.17Å; K519-E523 PolarHBondContact O-N 3.29Å
520D43.5Very low41.4Very low75 Ų75122.6 Ų122.640%0.40168%0.678SS.*Hα-helixtrans-68.2-32.6-177.6-178.861000111.9D517 K524D517-D520 PolarHBondContact O-N 3.5Å; D517-D520 VanDerWaalsContact O-N 3.08Å; D520-K524 WeakPolarHBondContact O-CB 3.1Å; D520-K524 VanDerWaalsContact O-CG 3.29Å; D520-K524 WeakPolarHBondContact O-CG 3.41Å; D520-K524 PolarHBondContact O-N 3.08Å; D520-K524 IonicContact OD1-NZ 2.64Å; D520-K524 PolarHBondContact OD1-NZ 3.02Å; D520-K524 IonicContact OD2-NZ 2.67Å; D520-K524 PolarHBondContact OD2-NZ 3.39Å
521L44.5Very low41Very low100 Ų100123.5 Ų123.552%0.52468%0.682SS.*Hα-helixtrans-70.9-37.3172.3-170.963.6000112.1K519 K524 M525K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.3Å; L521-K524 PolarHBondContact O-N 2.94Å; L521-M525 PolarHBondContact O-N 3.04Å
522A47.1Very low41Very low51 Ų51129.7 Ų129.742%0.42169%0.687SS.*Hα-helixtrans-66.6-45.3178.100000112.4A518 K519 K524 M525 Q526A518-A522 PolarHBondContact O-N 2.89Å; K519-A522 PolarHBondContact O-N 3.1Å; K519-A522 VanDerWaalsContact O-N 3.17Å; A522-K524 VanDerWaalsContact C-N 3.33Å; A522-K524 PolarHBondContact O-N 3.01Å; A522-M525 PolarHBondContact O-N 3.5Å; A522-Q526 PolarHBondContact O-N 2.95Å; A522-Q526 VanDerWaalsContact O-N 3.08Å
523E45.6Very low40.7Very low138 Ų138127.6 Ų127.665%0.64568%0.684SS**Hα-helixtrans-64.5-37.4175.7-69.8-168.8158.300112K519 Q526 R527K519-E523 PolarHBondContact O-N 3.29Å; E523-Q526 PolarHBondContact O-N 3.4Å; E523-R527 PolarHBondContact O-N 3.01Å; E523-R527 VanDerWaalsContact O-N 3.13Å
524K46.2Very low39.9Very low111 Ų111131 Ų13148%0.48368%0.684SS.*Hα-helixtrans-66.5-39.7174.6-76.5179.6172.285.90112.9D520 L521 A522 R527 L528D520-K524 WeakPolarHBondContact O-CB 3.1Å; D520-K524 VanDerWaalsContact O-CG 3.29Å; D520-K524 WeakPolarHBondContact O-CG 3.41Å; D520-K524 PolarHBondContact O-N 3.08Å; D520-K524 IonicContact OD1-NZ 2.64Å; D520-K524 PolarHBondContact OD1-NZ 3.02Å; D520-K524 IonicContact OD2-NZ 2.67Å; D520-K524 PolarHBondContact OD2-NZ 3.39Å; L521-K524 PolarHBondContact O-N 2.94Å; A522-K524 VanDerWaalsContact C-N 3.33Å; A522-K524 PolarHBondContact O-N 3.01Å; K524-R527 PolarHBondContact O-N 3.21Å; K524-L528 PolarHBondContact O-N 3.35Å
525M41.2Very low39.6Very low130 Ų130131.6 Ų131.664%0.6469%0.687SS**Hα-helixtrans-66.7-38.5175.4-82.7-169.8160.300113.1L521 A522 R527 L528 T529L521-M525 PolarHBondContact O-N 3.04Å; A522-M525 PolarHBondContact O-N 3.5Å; M525-R527 VanDerWaalsContact C-N 3.33Å; M525-R527 PolarHBondContact O-N 3.17Å; M525-L528 PolarHBondContact O-N 3.32Å; M525-T529 PolarHBondContact O-OG1 2.95Å
526Q42.8Very low39.1Very low149 Ų149132.4 Ų132.470%0.69669%0.686SS**Hα-helixtrans-70.3-27.1177.1-71.2-173.8-6.300113.1A522 E523 T529A522-Q526 PolarHBondContact O-N 2.95Å; A522-Q526 VanDerWaalsContact O-N 3.08Å; E523-Q526 PolarHBondContact O-N 3.4Å; Q526-T529 PolarHBondContact O-OG1 2.93Å
527R44.1Very low38.6Very low227 Ų227132 Ų13286%0.85769%0.694SS**Hα-helixtrans-76.4-16171-85.1-173.8161.1-163.5-6.4114.9E523 K524 M525E523-R527 PolarHBondContact O-N 3.01Å; E523-R527 VanDerWaalsContact O-N 3.13Å; K524-R527 PolarHBondContact O-N 3.21Å; M525-R527 VanDerWaalsContact C-N 3.33Å; M525-R527 PolarHBondContact O-N 3.17Å
528L39.6Very low38Very low150 Ų150131.3 Ų131.379%0.78570%0.703SS**THydrogen-bonded Turntrans-97.73.8-179-78.3166.1000114.4K524 M525K524-L528 PolarHBondContact O-N 3.35Å; M525-L528 PolarHBondContact O-N 3.32Å
529T35.9Very low37.2Very low114 Ų114135.2 Ų135.270%0.69971%0.713SS**SBendtrans-105.5-1.7-178.618.30000114.7M525 Q526M525-T529 PolarHBondContact O-OG1 2.95Å; Q526-T529 PolarHBondContact O-OG1 2.93Å
530T39.5Very low36.6Very low113 Ų113132.4 Ų132.469%0.69372%0.718SS**SBendtrans-13151.5-172.2-40.80000113.5
531E32Very low36.1Very low197 Ų197141 Ų14192%0.92175%0.745SS**  trans-161.7113.6153.6-113.8156.5-141.200109.6
532R33.2Very low35.7Very low246 Ų246142.2 Ų142.293%0.92876%0.757SS**  trans-142.177.9176.4-173-161.5168.3173.7-2.8110
533S30Very low35.3Very low102 Ų102146.3 Ų146.371%0.71378%0.783SS**  trans-140.4135.2170.2-70.70000110.5
534D28Very low34.5Very low151 Ų151142.1 Ų142.181%0.80778%0.776SS**  trans74.8133.6144.9-50.5-22.4000122.9
535E28.8Very low33.9Very low183 Ų183141.8 Ų141.886%0.85579%0.788SS**  trans60.586.2152.2-51.9-123.3122.300121.5
536A27.7Very low33.8Very low92 Ų92142.4 Ų142.476%0.7679%0.792SS**  59.3120.2111.100000122.8
537A28.9Very low33.5Very low105 Ų105137.1 Ų137.187%0.86877%0.772SS**  trans84.6153.9145.800000120.1
538A30.5Very low33.6Very low89 Ų89131.2 Ų131.274%0.73676%0.763SS**  trans72.6108.3-176.600000118
539D29.1Very low34Very low163 Ų163127.5 Ų127.587%0.87275%0.754SS**  trans74.3147.9146.4-57.5-21.6000124.1
540A31.2Very low34.7Very low94 Ų94126.2 Ų126.278%0.77774%0.742SS**  trans61.763.2162.100000120.2T542A540-T542 PolarHBondContact O-N 3.04Å
541R32.7Very low35.4Very low255 Ų255128.4 Ų128.496%0.96274%0.743SS**  trans-81.7100.1149.6-83.1-171.6176.4-177.10.1111
542T34.7Very low36.3Very low126 Ų126124.8 Ų124.877%0.77372%0.724SS**  trans-138.868.8165.9-380000113.4A540A540-T542 PolarHBondContact O-N 3.04Å
543S39.3Very low37.2Very low138 Ų138116 Ų11697%0.96570%0.7SS**  trans-108.662.3138.9-164.70000107.6
544G28.3Very low38.1Very low49 Ų49119.3 Ų119.351%0.50570%0.704SS.*SBendtrans-111.2146.7171.100000108.9I546G544-I546 PolarHBondContact O-N 3.15Å
545S35Very low39.2Very low104 Ų104115.8 Ų115.873%0.72769%0.688SS**  trans-8106159.5167.70000114.8S547S545-S547 PolarHBondContact O-N 3.29Å; S545-S547 VanDerWaalsContact O-N 3.09Å
546I38.2Very low40Very low144 Ų144112.5 Ų112.574%0.73868%0.683SS**  trans-57.8113.5149-62.2177.3000104.6G544 D550G544-I546 PolarHBondContact O-N 3.15Å; I546-D550 HydrophobicContact CG2-CB 3.75Å
547S37.1Very low41Very low38 Ų38115.7 Ų115.727%0.26668%0.68SS.*  trans-68.4154.8-176.877.10000109.3S545 A549 D550S545-S547 PolarHBondContact O-N 3.29Å; S545-S547 VanDerWaalsContact O-N 3.09Å; S547-A549 PolarHBondContact O-N 3.2Å; S547-A549 PolarHBondContact OG-N 3.2Å; S547-D550 WeakPolarHBondContact CA-OD2 3.43Å; S547-D550 VanDerWaalsContact CB-OD2 3.26Å; S547-D550 WeakPolarHBondContact CB-OD2 3.32Å; S547-D550 PolarHBondContact N-OD2 3.41Å; S547-D550 PolarHBondContact O-N 3.25Å; S547-D550 VanDerWaalsContact OG-CG 3.32Å; S547-D550 PolarHBondContact OG-N 3.13Å; S547-D550 PolarHBondContact OG-OD2 3.24Å
548P47Very low41.9Very low102 Ų102117.3 Ų117.366%0.66267%0.674SS**Hα-helixtrans-53.4-30.7173.7-2836000112.8F552P548-F552 WeakPolarHBondContact O-CD2 3.33Å; P548-F552 PolarHBondContact O-N 3.18Å
549A48Very low42.7Very low72 Ų72120.6 Ų120.660%0.59568%0.679SS**Hα-helixtrans-67.2-32.5177.600000113.7S547 F552 S553S547-A549 PolarHBondContact O-N 3.2Å; S547-A549 PolarHBondContact OG-N 3.2Å; A549-F552 PolarHBondContact O-N 2.87Å; A549-S553 PolarHBondContact O-N 3.33Å
550D50.5Low44Very low87 Ų87117.1 Ų117.147%0.46567%0.667SS.*Hα-helixtrans-69.2-36-179.9-62-61000111.5I546 S547 S553I546-D550 HydrophobicContact CG2-CB 3.75Å; S547-D550 WeakPolarHBondContact CA-OD2 3.43Å; S547-D550 VanDerWaalsContact CB-OD2 3.26Å; S547-D550 WeakPolarHBondContact CB-OD2 3.32Å; S547-D550 PolarHBondContact N-OD2 3.41Å; S547-D550 PolarHBondContact O-N 3.25Å; S547-D550 VanDerWaalsContact OG-CG 3.32Å; S547-D550 PolarHBondContact OG-N 3.13Å; S547-D550 PolarHBondContact OG-OD2 3.24Å; D550-S553 VanDerWaalsContact O-CB 3.28Å; D550-S553 WeakPolarHBondContact O-CB 3.26Å; D550-S553 PolarHBondContact O-N 3.48Å; D550-S553 PolarHBondContact O-OG 2.8Å
551F53.2Low45.1Very low160 Ų160119.6 Ų119.670%0.70267%0.673SS**Hα-helixtrans-66.7-40.5176.1-173.5-99000112.1S553F551-S553 PolarHBondContact O-N 2.86Å
552F51.1Low46.6Very low120 Ų120115.5 Ų115.553%0.52666%0.662SS.*G310 helixtrans-74.7-1.9175.7-69.5-65.3000114.2P548 A549 H554 T555P548-F552 WeakPolarHBondContact O-CD2 3.33Å; P548-F552 PolarHBondContact O-N 3.18Å; A549-F552 PolarHBondContact O-N 2.87Å; F552-H554 PolarHBondContact O-N 3.02Å; F552-T555 HydrophobicContact CD1-CG2 4.27Å; F552-T555 PolarHBondContact O-OG1 3.44Å
553S52.1Low48.1Very low61 Ų61118.1 Ų118.143%0.42767%0.666SS.*G310 helixtrans-66.8-20.1176.172.50000113.9A549 D550 F551A549-S553 PolarHBondContact O-N 3.33Å; D550-S553 VanDerWaalsContact O-CB 3.28Å; D550-S553 WeakPolarHBondContact O-CB 3.26Å; D550-S553 PolarHBondContact O-N 3.48Å; D550-S553 PolarHBondContact O-OG 2.8Å; F551-S553 PolarHBondContact O-N 2.86Å
554H49.4Very low49.6Very low172 Ų172116.3 Ų116.380%0.79664%0.644SS**G310 helixtrans-99.74.5-175.2-74.3-73.2000115.2F552F552-H554 PolarHBondContact O-N 3.02Å
555T50.9Low51.5Low77 Ų77116.7 Ų116.747%0.47264%0.638SS.*SBendtrans-72.7152.5172.753.80000111.4F552 K557F552-T555 HydrophobicContact CD1-CG2 4.27Å; F552-T555 PolarHBondContact O-OG1 3.44Å; T555-K557 PolarHBondContact O-N 2.91Å; T555-K557 VanDerWaalsContact O-N 3.11Å
556P45.9Very low52.8Low115 Ų115116.9 Ų116.975%0.74763%0.634SS**  trans-61.1115.2177.3-2334.3000111.6D558P556-D558 VanDerWaalsContact C-N 3.26Å; P556-D558 PolarHBondContact O-N 3.37Å
557K48.1Very low54.2Low159 Ų159112.3 Ų112.369%0.69162%0.615SS**  trans-8371173.9-69.1-174.9-179.9177.50110.8T555 N559T555-K557 PolarHBondContact O-N 2.91Å; T555-K557 VanDerWaalsContact O-N 3.11Å; K557-N559 PolarHBondContact O-N 3.47Å; K557-N559 VanDerWaalsContact O-N 3.1Å
558D47Very low55.6Low139 Ų139116.2 Ų116.274%0.74364%0.641SS**  trans-65.8105.9161.3-80.5-35.8000108.2P556 S560P556-D558 VanDerWaalsContact C-N 3.26Å; P556-D558 PolarHBondContact O-N 3.37Å; D558-S560 PolarHBondContact O-N 2.73Å
559N48Very low56.9Low158 Ų158116.3 Ų116.385%0.84564%0.636SS**  trans-74.750.3-179.2-73.4-30.3000111.9K557K557-N559 PolarHBondContact O-N 3.47Å; K557-N559 VanDerWaalsContact O-N 3.1Å
560S57.3Low58.2Low90 Ų90115.6 Ų115.663%0.62963%0.625SS**  trans-85128.7170.458.40000110.5D558 F562D558-S560 PolarHBondContact O-N 2.73Å; S560-F562 PolarHBondContact O-N 3.06Å
561T54Low59.5Low145 Ų145115 Ų11589%0.8962%0.621SS**  trans-68101.3176.1-42.20000110.3
562F64.4Low60.8Low170 Ų170107.4 Ų107.475%0.74659%0.588SS**  trans-78.7151.217871.8-87.4000111.9S560 I564S560-F562 PolarHBondContact O-N 3.06Å; F562-I564 HydrophobicContact CD2-CG1 4.4Å; F562-I564 HydrophobicContact CE2-CG1 4.02Å
563Q65.7Low62.2Low180 Ų180105 Ų10584%0.84158%0.58SS**  trans-108.9143.8171.2-62.7-176.77.500108.7P565Q563-P565 WeakPolarHBondContact O-CD 3.48Å
564I71.2Confident63.5Low100 Ų100102.6 Ų102.651%0.51356%0.563SS.*  trans-89.8111.1171.1-58.1175.3000106.8F562 L579F562-I564 HydrophobicContact CD2-CG1 4.4Å; F562-I564 HydrophobicContact CE2-CG1 4.02Å; I564-L579 HydrophobicContact CG2-CD1 4.3Å
565P66.6Low64.9Low57 Ų5795.2 Ų95.237%0.3753%0.53SS..  trans-69.1142.5177.929.3-34.1000110Q563 D571 S575Q563-P565 WeakPolarHBondContact O-CD 3.48Å; P565-D571 HydrophobicContact CG-CB 4.24Å; P565-S575 PolarHBondContact O-OG 2.93Å
566V63.6Low66.3Low108 Ų10896.2 Ų96.266%0.65553%0.53SS*.  trans-133.939.5173.9-159.30000109.5
567S66.4Low67.9Low48 Ų4891.4 Ų91.434%0.33650%0.5SS..SBendtrans-86.4172.8174.560.10000111.3D569 G572S567-D569 WeakPolarHBondContact CB-OD2 3.29Å; S567-D569 PolarHBondContact O-N 3.26Å; S567-D569 PolarHBondContact OG-OD2 3.29Å; S567-G572 CarbonylContact O-C 3.6Å; S567-G572 WeakPolarHBondContact O-CA 3.42Å
568C67Low69.6Low121 Ų12186.9 Ų86.982%0.81848%0.482SS*.SBendtrans-796.2176.2-57.40000113.7
569D74.9Confident71.1Confident103 Ų10386 Ų8655%0.55148%0.477SS*.SBendtrans-80.5168.6-179-46.7-60.1000111S567 D571 G572 L573S567-D569 WeakPolarHBondContact CB-OD2 3.29Å; S567-D569 PolarHBondContact O-N 3.26Å; S567-D569 PolarHBondContact OG-OD2 3.29Å; D569-D571 VanDerWaalsContact C-N 3.32Å; D569-D571 PolarHBondContact O-N 2.91Å; D569-G572 PolarHBondContact O-N 3.25Å; D569-L573 WeakPolarHBondContact O-CG 3.29Å; D569-L573 PolarHBondContact O-N 3.1Å
570T75.1Confident72.8Confident58 Ų5883.8 Ų83.836%0.35647%0.469SS..Hα-helixtrans-58.5-40.4-176.147.60000113G572 L573 I574 D593T570-G572 PolarHBondContact O-N 2.93Å; T570-L573 PolarHBondContact O-N 3.26Å; T570-I574 WeakPolarHBondContact O-CB 3.28Å; T570-I574 WeakPolarHBondContact O-CD1 3.17Å; T570-I574 WeakPolarHBondContact O-CG1 3.41Å; T570-I574 PolarHBondContact O-N 3.45Å; T570-D593 WeakPolarHBondContact CB-OD1 3.16Å; T570-D593 WeakPolarHBondContact CG2-OD1 3.36Å; T570-D593 PolarHBondContact OG1-OD1 3.24Å; T570-D593 VanDerWaalsContact OG1-OD1 3.06Å
571D76.9Confident73.8Confident74 Ų7481.4 Ų81.440%0.39646%0.458SS..Hα-helixtrans-60.4-41.2172.5-80.7-75.6000113.9P565 D569 I574 S575 R595P565-D571 HydrophobicContact CG-CB 4.24Å; D569-D571 VanDerWaalsContact C-N 3.32Å; D569-D571 PolarHBondContact O-N 2.91Å; D571-I574 PolarHBondContact O-N 3.32Å; D571-S575 WeakPolarHBondContact O-CB 3.33Å; D571-S575 PolarHBondContact O-N 2.95Å; D571-S575 PolarHBondContact O-OG 2.86Å; D571-R595 VanDerWaalsContact CG-NH2 3.29Å; D571-R595 IonicContact OD1-CZ 3.86Å; D571-R595 IonicContact OD1-NH1 2.66Å; D571-R595 PolarHBondContact OD1-NH1 3.19Å; D571-R595 IonicContact OD1-NH2 3.68Å; D571-R595 PolarHBondContact OD1-NH2 3.33Å; D571-R595 IonicContact OD2-CZ 3.16Å; D571-R595 IonicContact OD2-NH1 2.68Å; D571-R595 IonicContact OD2-NH2 2.64Å; D571-R595 PolarHBondContact OD2-NH2 3Å
572G80.5Confident75.3Confident0 Ų078.3 Ų78.30%044%0.437CS..Hα-helixtrans-73.2-30.8179.100000113.1S567 D569 T570 S575 Q576S567-G572 CarbonylContact O-C 3.6Å; S567-G572 WeakPolarHBondContact O-CA 3.42Å; D569-G572 PolarHBondContact O-N 3.25Å; T570-G572 PolarHBondContact O-N 2.93Å; G572-S575 PolarHBondContact O-OG 3.13Å; G572-Q576 WeakPolarHBondContact O-CB 2.98Å; G572-Q576 PolarHBondContact O-N 3.29Å
573L80.6Confident76.1Confident70 Ų7074 Ų7437%0.36642%0.417SS..Hα-helixtrans-73.8-37.1172.1-66.9172.6000112D569 T570 A577 L589D569-L573 WeakPolarHBondContact O-CG 3.29Å; D569-L573 PolarHBondContact O-N 3.1Å; T570-L573 PolarHBondContact O-N 3.26Å; L573-A577 VanDerWaalsContact O-CB 3.29Å; L573-A577 WeakPolarHBondContact O-CB 3.25Å; L573-A577 PolarHBondContact O-N 3.01Å; L573-L589 HydrophobicContact CB-CD1 3.92Å
574I79.9Confident77Confident11 Ų1169.7 Ų69.76%0.05640%0.397CS..Hα-helixtrans-66.4-47.8173.7-69.8161.7000110.1T570 D571 Q576 A577 L578 L589T570-I574 WeakPolarHBondContact O-CB 3.28Å; T570-I574 WeakPolarHBondContact O-CD1 3.17Å; T570-I574 WeakPolarHBondContact O-CG1 3.41Å; T570-I574 PolarHBondContact O-N 3.45Å; D571-I574 PolarHBondContact O-N 3.32Å; I574-Q576 VanDerWaalsContact C-N 3.34Å; I574-Q576 PolarHBondContact O-N 3.12Å; I574-A577 PolarHBondContact O-N 3.3Å; I574-L578 HydrophobicContact CG2-CD1 4.07Å; I574-L578 VanDerWaalsContact O-CG 3.3Å; I574-L578 WeakPolarHBondContact O-CG 3.49Å; I574-L578 PolarHBondContact O-N 3.45Å; I574-L589 HydrophobicContact CD1-CB 4.33Å; I574-L589 HydrophobicContact CG1-CB 3.73Å; I574-L589 HydrophobicContact CG1-CD1 4.22Å
575S79.8Confident77.5Confident16 Ų1666 Ų6611%0.11238%0.384CS..Hα-helixtrans-61.2-42.1176.9740000111.7P565 D571 G572 L578 L579P565-S575 PolarHBondContact O-OG 2.93Å; D571-S575 WeakPolarHBondContact O-CB 3.33Å; D571-S575 PolarHBondContact O-N 2.95Å; D571-S575 PolarHBondContact O-OG 2.86Å; G572-S575 PolarHBondContact O-OG 3.13Å; S575-L578 PolarHBondContact O-N 3.34Å; S575-L579 WeakPolarHBondContact O-CB 3.47Å; S575-L579 VanDerWaalsContact O-CG 3.27Å; S575-L579 WeakPolarHBondContact O-CG 3.46Å; S575-L579 PolarHBondContact O-N 2.72Å
576Q79.2Confident78.3Confident99 Ų9963.3 Ų63.346%0.46337%0.367SS..Hα-helixtrans-64.9-42.2176.8-172.5177.231.200111.8G572 I574 L578 L579 V580G572-Q576 WeakPolarHBondContact O-CB 2.98Å; G572-Q576 PolarHBondContact O-N 3.29Å; I574-Q576 VanDerWaalsContact C-N 3.34Å; I574-Q576 PolarHBondContact O-N 3.12Å; Q576-L578 VanDerWaalsContact C-N 3.32Å; Q576-L578 PolarHBondContact O-N 3.08Å; Q576-L579 PolarHBondContact O-N 3.28Å; Q576-V580 WeakPolarHBondContact O-CB 3.27Å; Q576-V580 VanDerWaalsContact O-CG2 3.28Å; Q576-V580 WeakPolarHBondContact O-CG2 3.44Å; Q576-V580 PolarHBondContact O-N 3.31Å
577A80.8Confident79.4Confident14 Ų1458.1 Ų58.112%0.11634%0.336CS..Hα-helixtrans-61.9-39.6175.800000112L573 I574 V580 G581 N582 A586L573-A577 VanDerWaalsContact O-CB 3.29Å; L573-A577 WeakPolarHBondContact O-CB 3.25Å; L573-A577 PolarHBondContact O-N 3.01Å; I574-A577 PolarHBondContact O-N 3.3Å; A577-V580 PolarHBondContact O-N 2.86Å; A577-G581 PolarHBondContact O-N 3.02Å; A577-G581 VanDerWaalsContact O-N 3.16Å; A577-N582 PolarHBondContact O-N 2.87Å; A577-A586 HydrophobicContact CB-CB 3.83Å
578L81.8Confident80.3Confident63 Ų6359 Ų5933%0.3334%0.336SS..Hα-helixtrans-67.7-42.7174.8-67.6171.8000112.7I574 S575 Q576 V580 G581 F583 A586 L602I574-L578 HydrophobicContact CG2-CD1 4.07Å; I574-L578 VanDerWaalsContact O-CG 3.3Å; I574-L578 WeakPolarHBondContact O-CG 3.49Å; I574-L578 PolarHBondContact O-N 3.45Å; S575-L578 PolarHBondContact O-N 3.34Å; Q576-L578 VanDerWaalsContact C-N 3.32Å; Q576-L578 PolarHBondContact O-N 3.08Å; L578-V580 PolarHBondContact O-N 3.33Å; L578-G581 PolarHBondContact O-N 3.43Å; L578-F583 HydrophobicContact CD2-CD1 4.27Å; L578-F583 HydrophobicContact CD2-CE1 4.37Å; L578-A586 HydrophobicContact CD2-CB 3.81Å; L578-A586 HydrophobicContact CG-CB 4.03Å; L578-L602 HydrophobicContact CD1-CD1 4.41Å; L578-L602 HydrophobicContact CD1-CD2 4.46Å; L578-L602 HydrophobicContact CD2-CD1 3.94Å; L578-L602 HydrophobicContact CD2-CD2 3.52Å; L578-L602 HydrophobicContact CD2-CG 4.35Å
579L80Confident81.1Confident121 Ų12155.9 Ų55.963%0.63431%0.311SS*.Hα-helixtrans-64-28.8175.7-73.2168.1000112.9I564 S575 Q576 G581I564-L579 HydrophobicContact CG2-CD1 4.3Å; S575-L579 WeakPolarHBondContact O-CB 3.47Å; S575-L579 VanDerWaalsContact O-CG 3.27Å; S575-L579 WeakPolarHBondContact O-CG 3.46Å; S575-L579 PolarHBondContact O-N 2.72Å; Q576-L579 PolarHBondContact O-N 3.28Å; L579-G581 VanDerWaalsContact C-N 3.34Å
580V82.4Confident81.6Confident112 Ų11251 Ų5168%0.67929%0.285SS*.THydrogen-bonded Turntrans-83.2-9.6173.3172.30000112.3Q576 A577 L578 N582Q576-V580 WeakPolarHBondContact O-CB 3.27Å; Q576-V580 VanDerWaalsContact O-CG2 3.28Å; Q576-V580 WeakPolarHBondContact O-CG2 3.44Å; Q576-V580 PolarHBondContact O-N 3.31Å; A577-V580 PolarHBondContact O-N 2.86Å; L578-V580 PolarHBondContact O-N 3.33Å; V580-N582 VanDerWaalsContact C-N 3.27Å; V580-N582 HydrophobicContact CG1-CB 4.41Å; V580-N582 PolarHBondContact O-N 3.35Å
581G78.9Confident82Confident39 Ų3948.5 Ų48.540%0.40227%0.269SS..THydrogen-bonded Turntrans74.113.5-175.600000114.3A577 L578 L579 F583A577-G581 PolarHBondContact O-N 3.02Å; A577-G581 VanDerWaalsContact O-N 3.16Å; L578-G581 PolarHBondContact O-N 3.43Å; L579-G581 VanDerWaalsContact C-N 3.34Å; G581-F583 VanDerWaalsContact C-N 3.32Å; G581-F583 VanDerWaalsContact O-CD2 3.24Å; G581-F583 WeakPolarHBondContact O-CD2 3.45Å; G581-F583 PolarHBondContact O-N 2.92Å
582N85.2Confident82.3Confident81 Ų8151.1 Ų51.143%0.43328%0.284SS..  trans-8475177.9-174.5-0.5000110.7A577 V580 E584 G585 A586A577-N582 PolarHBondContact O-N 2.87Å; V580-N582 VanDerWaalsContact C-N 3.27Å; V580-N582 HydrophobicContact CG1-CB 4.41Å; V580-N582 PolarHBondContact O-N 3.35Å; N582-E584 VanDerWaalsContact C-N 3.28Å; N582-E584 PolarHBondContact O-N 2.83Å; N582-G585 PolarHBondContact O-N 3.17Å; N582-G585 PolarHBondContact OD1-N 3.28Å; N582-A586 PolarHBondContact O-N 3.43Å
583F82.6Confident82.4Confident78 Ų7854.4 Ų54.434%0.34230%0.301SS..Hα-helixtrans-59.5-35179.8-63-75.4000113.2L578 G581 A586 V587 L610L578-F583 HydrophobicContact CD2-CD1 4.27Å; L578-F583 HydrophobicContact CD2-CE1 4.37Å; G581-F583 VanDerWaalsContact C-N 3.32Å; G581-F583 VanDerWaalsContact O-CD2 3.24Å; G581-F583 WeakPolarHBondContact O-CD2 3.45Å; G581-F583 PolarHBondContact O-N 2.92Å; F583-A586 PolarHBondContact O-N 2.83Å; F583-V587 VanDerWaalsContact O-CB 3.29Å; F583-V587 WeakPolarHBondContact O-CB 3.5Å; F583-V587 WeakPolarHBondContact O-CG2 3.48Å; F583-V587 PolarHBondContact O-N 3.32Å; F583-L610 HydrophobicContact CB-CD2 4.04Å
584E84.2Confident82.3Confident90 Ų9052.5 Ų52.542%0.42130%0.299SS..Hα-helixtrans-66.3-45.3177.6-179.1165.8-149.300111.6N582 V587 D588 L610 K613N582-E584 VanDerWaalsContact C-N 3.28Å; N582-E584 PolarHBondContact O-N 2.83Å; E584-V587 PolarHBondContact O-N 3.48Å; E584-D588 PolarHBondContact O-N 3.1Å; E584-L610 HydrophobicContact CB-CD1 4.04Å; E584-L610 HydrophobicContact CG-CD1 4.04Å; E584-K613 IonicContact OE1-NZ 3.29Å; E584-K613 PolarHBondContact OE1-NZ 3.34Å
585G82.2Confident82.5Confident23 Ų2354.8 Ų54.824%0.23731%0.307CS..Hα-helixtrans-62.9-42.4174.600000113N582 L589N582-G585 PolarHBondContact O-N 3.17Å; N582-G585 PolarHBondContact OD1-N 3.28Å; G585-L589 WeakPolarHBondContact O-CG 3.23Å; G585-L589 PolarHBondContact O-N 3.11Å; G585-L589 VanDerWaalsContact O-N 3.11Å
586A83.3Confident82.7Confident0 Ų057.2 Ų57.20%031%0.314CS..Hα-helixtrans-62.9-45.2176.500000112A577 L578 N582 F583 L589 C590 L602A577-A586 HydrophobicContact CB-CB 3.83Å; L578-A586 HydrophobicContact CD2-CB 3.81Å; L578-A586 HydrophobicContact CG-CB 4.03Å; N582-A586 PolarHBondContact O-N 3.43Å; F583-A586 PolarHBondContact O-N 2.83Å; A586-L589 PolarHBondContact O-N 2.97Å; A586-C590 PolarHBondContact O-N 2.91Å; A586-C590 PolarHBondContact O-SG 3.49Å; A586-L602 HydrophobicContact CB-CD1 4.35Å
587V85.4Confident82.8Confident0 Ų055.9 Ų55.90%032%0.32CS..Hα-helixtrans-65.6-43.1179.3167.40000111.6F583 E584 L589 C590 L591 A599 L602 L610 T614F583-V587 VanDerWaalsContact O-CB 3.29Å; F583-V587 WeakPolarHBondContact O-CB 3.5Å; F583-V587 WeakPolarHBondContact O-CG2 3.48Å; F583-V587 PolarHBondContact O-N 3.32Å; E584-V587 PolarHBondContact O-N 3.48Å; V587-L589 VanDerWaalsContact C-N 3.33Å; V587-L589 PolarHBondContact O-N 3.29Å; V587-C590 PolarHBondContact O-N 3.15Å; V587-L591 HydrophobicContact CG1-CD1 4.01Å; V587-L591 HydrophobicContact CG1-CG 4.24Å; V587-L591 WeakPolarHBondContact O-CB 3.39Å; V587-L591 VanDerWaalsContact O-CG 3.31Å; V587-L591 WeakPolarHBondContact O-CG 3.06Å; V587-L591 PolarHBondContact O-N 2.68Å; V587-A599 HydrophobicContact CG1-CB 4.35Å; V587-L602 HydrophobicContact CG2-CB 3.62Å; V587-L610 HydrophobicContact CG2-CD2 4.35Å; V587-T614 HydrophobicContact CG1-CG2 3.75Å; V587-T614 WeakPolarHBondContact CG1-OG1 3.35Å
588D85.1Confident82.9Confident65 Ų6559.2 Ų59.235%0.34833%0.333SS..Hα-helixtrans-67.2-32.5178.5-94.213.4000112.9E584 N592 K617E584-D588 PolarHBondContact O-N 3.1Å; D588-N592 WeakPolarHBondContact O-CB 3.49Å; D588-N592 PolarHBondContact O-N 2.86Å; D588-N592 VanDerWaalsContact O-N 3.16Å; D588-K617 IonicContact OD1-NZ 2.72Å; D588-K617 PolarHBondContact OD1-NZ 3.44Å; D588-K617 IonicContact OD2-NZ 2.77Å; D588-K617 PolarHBondContact OD2-NZ 3.2Å
589L84.6Confident83Confident57 Ų5756.2 Ų56.230%0.29832%0.317SS..Hα-helixtrans-64.9-48.9168.9-72.4170.3000111.4L573 I574 G585 A586 V587 L591 N592 D593L573-L589 HydrophobicContact CB-CD1 3.92Å; I574-L589 HydrophobicContact CD1-CB 4.33Å; I574-L589 HydrophobicContact CG1-CB 3.73Å; I574-L589 HydrophobicContact CG1-CD1 4.22Å; G585-L589 WeakPolarHBondContact O-CG 3.23Å; G585-L589 PolarHBondContact O-N 3.11Å; G585-L589 VanDerWaalsContact O-N 3.11Å; A586-L589 PolarHBondContact O-N 2.97Å; V587-L589 VanDerWaalsContact C-N 3.33Å; V587-L589 PolarHBondContact O-N 3.29Å; L589-L591 VanDerWaalsContact C-N 3.32Å; L589-L591 PolarHBondContact O-N 2.95Å; L589-N592 WeakPolarHBondContact O-CA 3.16Å; L589-N592 PolarHBondContact O-N 2.83Å; L589-D593 PolarHBondContact O-N 3.42Å
590C84.6Confident83.2Confident0 Ų052.8 Ų52.80%030%0.299CS..Hα-helixtrans-60-39.8177.2-65.10000112.3A586 V587 N592 G594 R595 A599A586-C590 PolarHBondContact O-N 2.91Å; A586-C590 PolarHBondContact O-SG 3.49Å; V587-C590 PolarHBondContact O-N 3.15Å; C590-N592 PolarHBondContact O-N 2.93Å; C590-G594 PolarHBondContact O-N 3.21Å; C590-G594 VanDerWaalsContact O-N 3.08Å; C590-R595 HydrophobicContact CB-CB 4.29Å; C590-R595 PolarHBondContact O-N 2.92Å; C590-A599 HydrophobicContact CB-CB 3.77Å
591L85.1Confident83.2Confident5 Ų552.2 Ų52.23%0.02629%0.292CS..Hα-helixtrans-66.9-20.4174.3-74.2177.5000113.3V587 L589 Y596 A599 T614 K617 K621V587-L591 HydrophobicContact CG1-CD1 4.01Å; V587-L591 HydrophobicContact CG1-CG 4.24Å; V587-L591 WeakPolarHBondContact O-CB 3.39Å; V587-L591 VanDerWaalsContact O-CG 3.31Å; V587-L591 WeakPolarHBondContact O-CG 3.06Å; V587-L591 PolarHBondContact O-N 2.68Å; L589-L591 VanDerWaalsContact C-N 3.32Å; L589-L591 PolarHBondContact O-N 2.95Å; L591-Y596 HydrophobicContact CD2-CD1 4.07Å; L591-A599 HydrophobicContact CD2-CB 3.75Å; L591-A599 HydrophobicContact CG-CB 3.87Å; L591-T614 HydrophobicContact CD1-CG2 4.2Å; L591-T614 HydrophobicContact CD2-CG2 4.24Å; L591-T614 HydrophobicContact CG-CG2 4.48Å; L591-K617 HydrophobicContact CD1-CB 3.76Å; L591-K617 HydrophobicContact CD1-CD 3.69Å; L591-K617 HydrophobicContact CD1-CG 4.38Å; L591-K621 PolarHBondContact O-NZ 3.21Å
592N83.3Confident83.4Confident130 Ų13051.9 Ų51.970%0.69528%0.281SS*.Hα-helixtrans-91.7-39.5177.2-160.560.9000112.5D588 L589 C590 G594D588-N592 WeakPolarHBondContact O-CB 3.49Å; D588-N592 PolarHBondContact O-N 2.86Å; D588-N592 VanDerWaalsContact O-N 3.16Å; L589-N592 WeakPolarHBondContact O-CA 3.16Å; L589-N592 PolarHBondContact O-N 2.83Å; C590-N592 PolarHBondContact O-N 2.93Å; N592-G594 PolarHBondContact O-N 2.59Å
593D81.7Confident83.4Confident68 Ų6848 Ų4836%0.36426%0.26SS..Hα-helixtrans-73-11.2175-152.668.4000112.6T570 L589 R595T570-D593 WeakPolarHBondContact CB-OD1 3.16Å; T570-D593 WeakPolarHBondContact CG2-OD1 3.36Å; T570-D593 PolarHBondContact OG1-OD1 3.24Å; T570-D593 VanDerWaalsContact OG1-OD1 3.06Å; L589-D593 PolarHBondContact O-N 3.42Å; D593-R595 HydrophobicContact CB-CG 4.4Å; D593-R595 IonicContact OD2-CZ 2.61Å; D593-R595 VanDerWaalsContact OD2-CZ 3.28Å; D593-R595 IonicContact OD2-NE 2.75Å; D593-R595 PolarHBondContact OD2-NE 3.1Å; D593-R595 IonicContact OD2-NH2 2.63Å; D593-R595 PolarHBondContact OD2-NH2 2.9Å
594G79.3Confident83.4Confident31 Ų3149.1 Ų49.132%0.3227%0.268SS..THydrogen-bonded Turntrans90.67.3176.700000114.8C590 N592 Y596C590-G594 PolarHBondContact O-N 3.21Å; C590-G594 VanDerWaalsContact O-N 3.08Å; N592-G594 PolarHBondContact O-N 2.59Å; G594-Y596 WeakPolarHBondContact O-CD2 3.4Å; G594-Y596 WeakPolarHBondContact O-CE2 3.43Å; G594-Y596 PolarHBondContact O-N 3.5Å
595R83.9Confident83.2Confident59 Ų5949 Ų4922%0.22328%0.278CS..  trans-81.363.1-179.1-55.2-169.4-161.3-1686.3111.8D571 C590 D593 A597 E598 A599D571-R595 VanDerWaalsContact CG-NH2 3.29Å; D571-R595 IonicContact OD1-CZ 3.86Å; D571-R595 IonicContact OD1-NH1 2.66Å; D571-R595 PolarHBondContact OD1-NH1 3.19Å; D571-R595 IonicContact OD1-NH2 3.68Å; D571-R595 PolarHBondContact OD1-NH2 3.33Å; D571-R595 IonicContact OD2-CZ 3.16Å; D571-R595 IonicContact OD2-NH1 2.68Å; D571-R595 IonicContact OD2-NH2 2.64Å; D571-R595 PolarHBondContact OD2-NH2 3Å; C590-R595 HydrophobicContact CB-CB 4.29Å; C590-R595 PolarHBondContact O-N 2.92Å; D593-R595 HydrophobicContact CB-CG 4.4Å; D593-R595 IonicContact OD2-CZ 2.61Å; D593-R595 VanDerWaalsContact OD2-CZ 3.28Å; D593-R595 IonicContact OD2-NE 2.75Å; D593-R595 PolarHBondContact OD2-NE 3.1Å; D593-R595 IonicContact OD2-NH2 2.63Å; D593-R595 PolarHBondContact OD2-NH2 2.9Å; R595-A597 VanDerWaalsContact C-N 3.29Å; R595-A597 PolarHBondContact O-N 3.42Å; R595-E598 HydrophobicContact CB-CB 4.19Å; R595-E598 HydrophobicContact CB-CG 4.5Å; R595-E598 WeakPolarHBondContact CD-OE1 3.39Å; R595-E598 WeakPolarHBondContact CD-OE2 3.45Å; R595-E598 IonicContact NH1-OE2 2.84Å; R595-E598 PolarHBondContact O-N 3.06Å; R595-A599 PolarHBondContact O-N 2.97Å
596Y83.1Confident82.9Confident66 Ų6649.4 Ų49.426%0.25928%0.281SS..Hα-helixtrans-61.8-32.6-171.9-55.8-62.2000113.9L591 G594 I600 Y618 K621L591-Y596 HydrophobicContact CD2-CD1 4.07Å; G594-Y596 WeakPolarHBondContact O-CD2 3.4Å; G594-Y596 WeakPolarHBondContact O-CE2 3.43Å; G594-Y596 PolarHBondContact O-N 3.5Å; Y596-I600 WeakPolarHBondContact O-CB 3.4Å; Y596-I600 WeakPolarHBondContact O-CD1 3.25Å; Y596-I600 VanDerWaalsContact O-CG1 3.25Å; Y596-I600 WeakPolarHBondContact O-CG1 3.39Å; Y596-I600 PolarHBondContact O-N 3.26Å; Y596-Y618 AromaticContact CD1-CD2 3.62Å; Y596-Y618 HydrophobicContact CD1-CD2 3.62Å; Y596-Y618 HydrophobicContact CD1-CE2 4.08Å; Y596-Y618 HydrophobicContact CD2-CE2 4.21Å; Y596-Y618 HydrophobicContact CE1-CD2 4.35Å; Y596-Y618 AromaticContact CG-CD2 3.74Å; Y596-Y618 HydrophobicContact CG-CD2 3.74Å; Y596-Y618 AromaticContact CG-CE2 3.71Å; Y596-Y618 HydrophobicContact CG-CE2 3.71Å; Y596-K621 HydrophobicContact CE1-CD 4.4Å
597A81.3Confident82.8Confident71 Ų7151.1 Ų51.159%0.58730%0.299SS*.Hα-helixtrans-67-46.5177.200000111.9R595 I600 L601R595-A597 VanDerWaalsContact C-N 3.29Å; R595-A597 PolarHBondContact O-N 3.42Å; A597-I600 PolarHBondContact O-N 2.97Å; A597-L601 WeakPolarHBondContact O-CB 3.22Å; A597-L601 VanDerWaalsContact O-CG 3.32Å; A597-L601 WeakPolarHBondContact O-CG 3.33Å; A597-L601 PolarHBondContact O-N 3.27Å
598E82.9Confident82.6Confident85 Ų8557.5 Ų57.540%0.39733%0.329SS..Hα-helixtrans-62.2-45.4174.7-69.7156.6-122.400111R595 I600 L601 L602R595-E598 HydrophobicContact CB-CB 4.19Å; R595-E598 HydrophobicContact CB-CG 4.5Å; R595-E598 WeakPolarHBondContact CD-OE1 3.39Å; R595-E598 WeakPolarHBondContact CD-OE2 3.45Å; R595-E598 IonicContact NH1-OE2 2.84Å; R595-E598 PolarHBondContact O-N 3.06Å; E598-I600 VanDerWaalsContact C-N 3.33Å; E598-I600 PolarHBondContact O-N 2.71Å; E598-L601 PolarHBondContact O-N 2.9Å; E598-L602 WeakPolarHBondContact O-CB 3.37Å; E598-L602 VanDerWaalsContact O-CG 3.28Å; E598-L602 WeakPolarHBondContact O-CG 3.32Å; E598-L602 PolarHBondContact O-N 3.22Å
599A84.1Confident82.4Confident0 Ų060 Ų600%034%0.342CS..Hα-helixtrans-56-45.2175.400000112.5V587 C590 L591 R595 S603 T614V587-A599 HydrophobicContact CG1-CB 4.35Å; C590-A599 HydrophobicContact CB-CB 3.77Å; L591-A599 HydrophobicContact CD2-CB 3.75Å; L591-A599 HydrophobicContact CG-CB 3.87Å; R595-A599 PolarHBondContact O-N 2.97Å; A599-S603 VanDerWaalsContact O-CB 3.27Å; A599-S603 WeakPolarHBondContact O-CB 3.43Å; A599-S603 PolarHBondContact O-N 2.99Å; A599-S603 PolarHBondContact O-OG 3.27Å; A599-T614 HydrophobicContact CB-CG2 4.37Å
600I84.3Confident82.4Confident49 Ų4958.3 Ų58.325%0.25133%0.333SS..Hα-helixtrans-66.2-49.6178.7-70165.6000110.6Y596 A597 E598 L602 S603 I604 Y618Y596-I600 WeakPolarHBondContact O-CB 3.4Å; Y596-I600 WeakPolarHBondContact O-CD1 3.25Å; Y596-I600 VanDerWaalsContact O-CG1 3.25Å; Y596-I600 WeakPolarHBondContact O-CG1 3.39Å; Y596-I600 PolarHBondContact O-N 3.26Å; A597-I600 PolarHBondContact O-N 2.97Å; E598-I600 VanDerWaalsContact C-N 3.33Å; E598-I600 PolarHBondContact O-N 2.71Å; I600-L602 VanDerWaalsContact C-N 3.34Å; I600-L602 PolarHBondContact O-N 3.29Å; I600-S603 WeakPolarHBondContact CA-OG 3.48Å; I600-S603 PolarHBondContact O-N 2.96Å; I600-S603 VanDerWaalsContact O-N 3.14Å; I600-S603 PolarHBondContact O-OG 3.26Å; I600-I604 HydrophobicContact CG2-CD1 4.25Å; I600-I604 WeakPolarHBondContact O-CG1 3.29Å; I600-I604 PolarHBondContact O-N 3.14Å; I600-Y618 HydrophobicContact CD1-CD1 4.41Å; I600-Y618 HydrophobicContact CD1-CE1 4.45Å
601L83.1Confident82.3Confident100 Ų10060 Ų6052%0.52434%0.342SS..Hα-helixtrans-58.9-42.2179.1-72167000112.8A597 E598 S605A597-L601 WeakPolarHBondContact O-CB 3.22Å; A597-L601 VanDerWaalsContact O-CG 3.32Å; A597-L601 WeakPolarHBondContact O-CG 3.33Å; A597-L601 PolarHBondContact O-N 3.27Å; E598-L601 PolarHBondContact O-N 2.9Å; L601-S605 PolarHBondContact O-N 3.47Å; L601-S605 PolarHBondContact O-OG 3.27Å
602L82.8Confident82.1Confident32 Ų3264.4 Ų64.417%0.16836%0.361CS..Hα-helixtrans-67.7-39.6175-70.1175.8000111.9L578 A586 V587 E598 I600 I604 S605 G606L578-L602 HydrophobicContact CD1-CD1 4.41Å; L578-L602 HydrophobicContact CD1-CD2 4.46Å; L578-L602 HydrophobicContact CD2-CD1 3.94Å; L578-L602 HydrophobicContact CD2-CD2 3.52Å; L578-L602 HydrophobicContact CD2-CG 4.35Å; A586-L602 HydrophobicContact CB-CD1 4.35Å; V587-L602 HydrophobicContact CG2-CB 3.62Å; E598-L602 WeakPolarHBondContact O-CB 3.37Å; E598-L602 VanDerWaalsContact O-CG 3.28Å; E598-L602 WeakPolarHBondContact O-CG 3.32Å; E598-L602 PolarHBondContact O-N 3.22Å; I600-L602 VanDerWaalsContact C-N 3.34Å; I600-L602 PolarHBondContact O-N 3.29Å; L602-I604 PolarHBondContact O-N 3.42Å; L602-S605 CarbonylContact O-C 3.55Å; L602-S605 WeakPolarHBondContact O-CA 3.39Å; L602-S605 WeakPolarHBondContact O-CB 3.34Å; L602-S605 PolarHBondContact O-N 3.24Å; L602-G606 PolarHBondContact O-N 2.99Å
603S83.9Confident82.1Confident0 Ų062.6 Ų62.60%035%0.347CS..Hα-helixtrans-67-32.2179.273.40000113.7A599 I600 S605 G606 G607 L611 T614A599-S603 VanDerWaalsContact O-CB 3.27Å; A599-S603 WeakPolarHBondContact O-CB 3.43Å; A599-S603 PolarHBondContact O-N 2.99Å; A599-S603 PolarHBondContact O-OG 3.27Å; I600-S603 WeakPolarHBondContact CA-OG 3.48Å; I600-S603 PolarHBondContact O-N 2.96Å; I600-S603 VanDerWaalsContact O-N 3.14Å; I600-S603 PolarHBondContact O-OG 3.26Å; S603-S605 PolarHBondContact O-N 3.48Å; S603-G606 PolarHBondContact O-N 3.42Å; S603-G607 PolarHBondContact O-N 3.01Å; S603-L611 VanDerWaalsContact OG-CD1 3.31Å; S603-L611 WeakPolarHBondContact OG-CD1 3.46Å; S603-T614 WeakPolarHBondContact CB-OG1 3.13Å
604I84.1Confident82.2Confident101 Ų10159.4 Ų59.452%0.51833%0.33SS..Hα-helixtrans-60.7-38170.4-65.3166.5000110.3I600 L602 L611I600-I604 HydrophobicContact CG2-CD1 4.25Å; I600-I604 WeakPolarHBondContact O-CG1 3.29Å; I600-I604 PolarHBondContact O-N 3.14Å; L602-I604 PolarHBondContact O-N 3.42Å; I604-L611 HydrophobicContact CG1-CD1 3.73Å; I604-L611 HydrophobicContact CG1-CD2 4.18Å
605S79.6Confident82.3Confident88 Ų8860.8 Ų60.862%0.61533%0.328SS*.Hα-helixtrans-77-24.9179.5-52.40000113.1L601 L602 S603L601-S605 PolarHBondContact O-N 3.47Å; L601-S605 PolarHBondContact O-OG 3.27Å; L602-S605 CarbonylContact O-C 3.55Å; L602-S605 WeakPolarHBondContact O-CA 3.39Å; L602-S605 WeakPolarHBondContact O-CB 3.34Å; L602-S605 PolarHBondContact O-N 3.24Å; S603-S605 PolarHBondContact O-N 3.48Å
606G75.1Confident82.1Confident31 Ų3164.9 Ų64.932%0.3235%0.35SS..THydrogen-bonded Turntrans-91.36.9179.400000115.8L602 S603L602-G606 PolarHBondContact O-N 2.99Å; S603-G606 PolarHBondContact O-N 3.42Å
607G81.8Confident81.9Confident35 Ų3564.9 Ų64.936%0.36135%0.351SS..  trans100.3161.5172.200000115.5S603 D609 L610 L611S603-G607 PolarHBondContact O-N 3.01Å; G607-D609 VanDerWaalsContact C-N 3.33Å; G607-D609 PolarHBondContact O-N 2.97Å; G607-L610 PolarHBondContact O-N 2.8Å; G607-L610 VanDerWaalsContact O-N 3.15Å; G607-L611 PolarHBondContact O-N 2.99Å
608E80.6Confident81.9Confident135 Ų13564.4 Ų64.463%0.63133%0.334SS*.Hα-helixtrans-60.6-36.7-166.9-157.7-168127.900113.8L611 K612E608-L611 WeakPolarHBondContact O-CB 3.46Å; E608-L611 PolarHBondContact O-N 2.98Å; E608-K612 VanDerWaalsContact O-CG 3.31Å; E608-K612 WeakPolarHBondContact O-CG 3.09Å; E608-K612 PolarHBondContact O-N 2.79Å; E608-K612 WeakPolarHBondContact OE1-CE 3.11Å; E608-K612 IonicContact OE1-NZ 3.71Å; E608-K612 PolarHBondContact OE1-NZ 2.94Å
609D81Confident81.7Confident118 Ų11861.3 Ų61.363%0.63132%0.321SS*.Hα-helixtrans-76.9-31.7180-62.3-34.7000112.5G607 K612 K613G607-D609 VanDerWaalsContact C-N 3.33Å; G607-D609 PolarHBondContact O-N 2.97Å; D609-K612 IonicContact OD1-NZ 3.91Å; D609-K612 PolarHBondContact OD1-NZ 3.03Å; D609-K613 VanDerWaalsContact O-CB 3.24Å; D609-K613 WeakPolarHBondContact O-CB 3.33Å; D609-K613 PolarHBondContact O-N 3.22Å
610L84.1Confident81.2Confident21 Ų2164.9 Ų64.911%0.1135%0.346CS..Hα-helixtrans-67.8-40.6169.2-17364.7000110.2F583 E584 V587 G607 K613 T614F583-L610 HydrophobicContact CB-CD2 4.04Å; E584-L610 HydrophobicContact CB-CD1 4.04Å; E584-L610 HydrophobicContact CG-CD1 4.04Å; V587-L610 HydrophobicContact CG2-CD2 4.35Å; G607-L610 PolarHBondContact O-N 2.8Å; G607-L610 VanDerWaalsContact O-N 3.15Å; L610-K613 PolarHBondContact O-N 2.85Å; L610-T614 VanDerWaalsContact O-CB 3.25Å; L610-T614 WeakPolarHBondContact O-CB 3.02Å; L610-T614 PolarHBondContact O-N 2.83Å; L610-T614 PolarHBondContact O-OG1 2.76Å
611L83.9Confident80.8Confident36 Ų3667.5 Ų67.519%0.18836%0.355CS..Hα-helixtrans-58.5-49.7173.7179.360.6000111.9S603 I604 G607 E608 K613 T614 Q615S603-L611 VanDerWaalsContact OG-CD1 3.31Å; S603-L611 WeakPolarHBondContact OG-CD1 3.46Å; I604-L611 HydrophobicContact CG1-CD1 3.73Å; I604-L611 HydrophobicContact CG1-CD2 4.18Å; G607-L611 PolarHBondContact O-N 2.99Å; E608-L611 WeakPolarHBondContact O-CB 3.46Å; E608-L611 PolarHBondContact O-N 2.98Å; L611-K613 PolarHBondContact O-N 3.2Å; L611-T614 PolarHBondContact O-N 3.04Å; L611-Q615 HydrophobicContact CD1-CG 4.21Å; L611-Q615 WeakPolarHBondContact O-CB 3.08Å; L611-Q615 VanDerWaalsContact O-CG 3.3Å; L611-Q615 WeakPolarHBondContact O-CG 3.3Å; L611-Q615 PolarHBondContact O-N 3.38Å
612K81.3Confident80.1Confident97 Ų9765.3 Ų65.342%0.42234%0.342SS..Hα-helixtrans-57.6-48.2175-71164.9-167.3152.90111.9E608 D609 T614 Q615 Q616E608-K612 VanDerWaalsContact O-CG 3.31Å; E608-K612 WeakPolarHBondContact O-CG 3.09Å; E608-K612 PolarHBondContact O-N 2.79Å; E608-K612 WeakPolarHBondContact OE1-CE 3.11Å; E608-K612 IonicContact OE1-NZ 3.71Å; E608-K612 PolarHBondContact OE1-NZ 2.94Å; D609-K612 IonicContact OD1-NZ 3.91Å; D609-K612 PolarHBondContact OD1-NZ 3.03Å; K612-T614 VanDerWaalsContact C-N 3.3Å; K612-T614 PolarHBondContact O-N 3.4Å; K612-Q615 PolarHBondContact O-N 3.43Å; K612-Q616 WeakPolarHBondContact O-CB 3.41Å; K612-Q616 PolarHBondContact O-N 2.87Å
613K81.4Confident79.4Confident91 Ų9172.1 Ų72.140%0.39637%0.371SS..Hα-helixtrans-61.3-37.9178.4-170.3176.6-172.6177.40112E584 D609 L610 L611 K617E584-K613 IonicContact OE1-NZ 3.29Å; E584-K613 PolarHBondContact OE1-NZ 3.34Å; D609-K613 VanDerWaalsContact O-CB 3.24Å; D609-K613 WeakPolarHBondContact O-CB 3.33Å; D609-K613 PolarHBondContact O-N 3.22Å; L610-K613 PolarHBondContact O-N 2.85Å; L611-K613 PolarHBondContact O-N 3.2Å; K613-K617 WeakPolarHBondContact O-CG 3.47Å; K613-K617 PolarHBondContact O-N 3.3Å
614T84.6Confident78.9Confident2 Ų277.2 Ų77.21%0.01240%0.398CS..Hα-helixtrans-70.8-46.5177.9-56.90000111.4V587 L591 A599 S603 L610 L611 K612 Q616 K617 Y618V587-T614 HydrophobicContact CG1-CG2 3.75Å; V587-T614 WeakPolarHBondContact CG1-OG1 3.35Å; L591-T614 HydrophobicContact CD1-CG2 4.2Å; L591-T614 HydrophobicContact CD2-CG2 4.24Å; L591-T614 HydrophobicContact CG-CG2 4.48Å; A599-T614 HydrophobicContact CB-CG2 4.37Å; S603-T614 WeakPolarHBondContact CB-OG1 3.13Å; L610-T614 VanDerWaalsContact O-CB 3.25Å; L610-T614 WeakPolarHBondContact O-CB 3.02Å; L610-T614 PolarHBondContact O-N 2.83Å; L610-T614 PolarHBondContact O-OG1 2.76Å; L611-T614 PolarHBondContact O-N 3.04Å; K612-T614 VanDerWaalsContact C-N 3.3Å; K612-T614 PolarHBondContact O-N 3.4Å; T614-Q616 VanDerWaalsContact C-N 3.34Å; T614-Q616 PolarHBondContact O-N 3.44Å; T614-K617 PolarHBondContact O-N 3.4Å; T614-Y618 VanDerWaalsContact O-CB 3.29Å; T614-Y618 WeakPolarHBondContact O-CB 3.38Å; T614-Y618 PolarHBondContact O-N 3.26Å
615Q81.8Confident78.4Confident60 Ų6076.7 Ų76.728%0.2840%0.403SS..Hα-helixtrans-58.6-44.6173.8-72.2173.1-200111L611 K612 Y618 L619L611-Q615 HydrophobicContact CD1-CG 4.21Å; L611-Q615 WeakPolarHBondContact O-CB 3.08Å; L611-Q615 VanDerWaalsContact O-CG 3.3Å; L611-Q615 WeakPolarHBondContact O-CG 3.3Å; L611-Q615 PolarHBondContact O-N 3.38Å; K612-Q615 PolarHBondContact O-N 3.43Å; Q615-Y618 PolarHBondContact O-N 2.96Å; Q615-L619 WeakPolarHBondContact O-CB 3.43Å; Q615-L619 WeakPolarHBondContact O-CD1 3.43Å; Q615-L619 VanDerWaalsContact O-CG 3.22Å; Q615-L619 WeakPolarHBondContact O-CG 3.37Å; Q615-L619 PolarHBondContact O-N 2.82Å
616Q79.7Confident78.3Confident144 Ų14478.5 Ų78.567%0.67340%0.404SS*.Hα-helixtrans-63.5-43.2177.2-166.8-177.924.900112.6K612 T614 S620K612-Q616 WeakPolarHBondContact O-CB 3.41Å; K612-Q616 PolarHBondContact O-N 2.87Å; T614-Q616 VanDerWaalsContact C-N 3.34Å; T614-Q616 PolarHBondContact O-N 3.44Å; Q616-S620 VanDerWaalsContact O-CB 3.31Å; Q616-S620 WeakPolarHBondContact O-CB 3.36Å; Q616-S620 PolarHBondContact O-N 2.92Å; Q616-S620 PolarHBondContact O-OG 3.19Å
617K78.1Confident78.3Confident66 Ų6677.6 Ų77.629%0.28739%0.393SS..Hα-helixtrans-64.1-38.8173.3-75.6-177.1-178.4-177.30112.6D588 L591 K613 T614 S620 K621D588-K617 IonicContact OD1-NZ 2.72Å; D588-K617 PolarHBondContact OD1-NZ 3.44Å; D588-K617 IonicContact OD2-NZ 2.77Å; D588-K617 PolarHBondContact OD2-NZ 3.2Å; L591-K617 HydrophobicContact CD1-CB 3.76Å; L591-K617 HydrophobicContact CD1-CD 3.69Å; L591-K617 HydrophobicContact CD1-CG 4.38Å; K613-K617 WeakPolarHBondContact O-CG 3.47Å; K613-K617 PolarHBondContact O-N 3.3Å; T614-K617 PolarHBondContact O-N 3.4Å; K617-S620 WeakPolarHBondContact CA-OG 3.4Å; K617-S620 PolarHBondContact O-OG 3.24Å; K617-S620 VanDerWaalsContact O-OG 3.06Å; K617-K621 PolarHBondContact O-N 3.4Å
618Y81.6Confident78Confident61 Ų6181.3 Ų81.324%0.23940%0.402CS..Hα-helixtrans-65.1-52176.3171.9-110.2000112.3Y596 I600 T614 Q615 S620 K621 Q622Y596-Y618 AromaticContact CD1-CD2 3.62Å; Y596-Y618 HydrophobicContact CD1-CD2 3.62Å; Y596-Y618 HydrophobicContact CD1-CE2 4.08Å; Y596-Y618 HydrophobicContact CD2-CE2 4.21Å; Y596-Y618 HydrophobicContact CE1-CD2 4.35Å; Y596-Y618 AromaticContact CG-CD2 3.74Å; Y596-Y618 HydrophobicContact CG-CD2 3.74Å; Y596-Y618 AromaticContact CG-CE2 3.71Å; Y596-Y618 HydrophobicContact CG-CE2 3.71Å; I600-Y618 HydrophobicContact CD1-CD1 4.41Å; I600-Y618 HydrophobicContact CD1-CE1 4.45Å; T614-Y618 VanDerWaalsContact O-CB 3.29Å; T614-Y618 WeakPolarHBondContact O-CB 3.38Å; T614-Y618 PolarHBondContact O-N 3.26Å; Q615-Y618 PolarHBondContact O-N 2.96Å; Y618-S620 VanDerWaalsContact C-N 3.35Å; Y618-S620 PolarHBondContact O-N 3.2Å; Y618-K621 PolarHBondContact O-N 3.46Å; Y618-K621 VanDerWaalsContact O-N 3.17Å; Y618-Q622 HydrophobicContact CD2-CG 4.31Å; Y618-Q622 VanDerWaalsContact CE2-CD 3.43Å; Y618-Q622 HydrophobicContact CE2-CG 3.93Å; Y618-Q622 VanDerWaalsContact CE2-NE2 3.34Å; Y618-Q622 PolarHBondContact O-N 3.07Å; Y618-Q622 PolarHBondContact OH-OE1 3.33Å; Y618-Q622 VanDerWaalsContact OH-OE1 3.14Å
619L78.1Confident77.9Confident21 Ų2179 Ų7911%0.1139%0.394CS..Hα-helixtrans-65-36.3-178.9-67.3164.9000112.1Q615 K621 Q622 I630Q615-L619 WeakPolarHBondContact O-CB 3.43Å; Q615-L619 WeakPolarHBondContact O-CD1 3.43Å; Q615-L619 VanDerWaalsContact O-CG 3.22Å; Q615-L619 WeakPolarHBondContact O-CG 3.37Å; Q615-L619 PolarHBondContact O-N 2.82Å; L619-K621 VanDerWaalsContact C-N 3.33Å; L619-K621 PolarHBondContact O-N 3.33Å; L619-Q622 PolarHBondContact O-N 3.38Å; L619-I630 HydrophobicContact CD2-CG2 4.25Å
620S75.4Confident77.8Confident75 Ų7577.5 Ų77.552%0.52439%0.385SS..Hα-helixtrans-69.3-26.9175.456.40000113.9Q616 K617 Y618Q616-S620 VanDerWaalsContact O-CB 3.31Å; Q616-S620 WeakPolarHBondContact O-CB 3.36Å; Q616-S620 PolarHBondContact O-N 2.92Å; Q616-S620 PolarHBondContact O-OG 3.19Å; K617-S620 WeakPolarHBondContact CA-OG 3.4Å; K617-S620 PolarHBondContact O-OG 3.24Å; K617-S620 VanDerWaalsContact O-OG 3.06Å; Y618-S620 VanDerWaalsContact C-N 3.35Å; Y618-S620 PolarHBondContact O-N 3.2Å
621K74.7Confident77.5Confident104 Ų10478.2 Ų78.245%0.45239%0.392SS..Hα-helixtrans-79.4-39.6171-76.2-169.6176-167.50112.7L591 Y596 K617 Y618 L619 K623L591-K621 PolarHBondContact O-NZ 3.21Å; Y596-K621 HydrophobicContact CE1-CD 4.4Å; K617-K621 PolarHBondContact O-N 3.4Å; Y618-K621 PolarHBondContact O-N 3.46Å; Y618-K621 VanDerWaalsContact O-N 3.17Å; L619-K621 VanDerWaalsContact C-N 3.33Å; L619-K621 PolarHBondContact O-N 3.33Å; K621-K623 PolarHBondContact O-N 3.5Å
622Q69.4Low77.1Confident53 Ų5376.8 Ų76.825%0.24839%0.385CS..  trans-94.289.3-176.9-63.2-150.7-1.900113.3Y618 L619 N624 S627Y618-Q622 HydrophobicContact CD2-CG 4.31Å; Y618-Q622 VanDerWaalsContact CE2-CD 3.43Å; Y618-Q622 HydrophobicContact CE2-CG 3.93Å; Y618-Q622 VanDerWaalsContact CE2-NE2 3.34Å; Y618-Q622 PolarHBondContact O-N 3.07Å; Y618-Q622 PolarHBondContact OH-OE1 3.33Å; Y618-Q622 VanDerWaalsContact OH-OE1 3.14Å; L619-Q622 PolarHBondContact O-N 3.38Å; Q622-N624 PolarHBondContact O-N 2.77Å; Q622-S627 WeakPolarHBondContact O-CB 3.37Å; Q622-S627 PolarHBondContact O-OG 3.35Å
623K66.9Low77.1Confident176 Ų17675 Ų7577%0.76538%0.382SS*.  trans-89.152.6-178-62.7-171.8178.5-176.40114.8K621K621-K623 PolarHBondContact O-N 3.5Å
624N74.6Confident77Confident107 Ų10774.2 Ų74.257%0.57239%0.385SS*.  trans-93.1151.9173.4-65.1-13.2000110.9Q622 I626 S627 M628Q622-N624 PolarHBondContact O-N 2.77Å; N624-I626 VanDerWaalsContact C-N 3.29Å; N624-I626 PolarHBondContact O-N 2.8Å; N624-S627 CarbonylContact O-C 3.54Å; N624-S627 WeakPolarHBondContact O-CA 3.47Å; N624-S627 VanDerWaalsContact O-CB 3.23Å; N624-S627 WeakPolarHBondContact O-CB 3.49Å; N624-S627 PolarHBondContact O-N 3.13Å; N624-M628 PolarHBondContact O-N 3.1Å
625S72.1Confident76.6Confident90 Ų9078 Ų7863%0.62941%0.408SS*.Hα-helixtrans-57.7-39.3-178.3-39.10000113.3S627 M628 L629S625-S627 VanDerWaalsContact C-N 3.34Å; S625-M628 PolarHBondContact O-N 3.44Å; S625-L629 PolarHBondContact O-N 3.19Å
626I78.9Confident76.3Confident125 Ų12581.7 Ų81.764%0.64143%0.425SS*.Hα-helixtrans-66.7-36.2173.4-61.6172.8000111.1N624 L629 I630N624-I626 VanDerWaalsContact C-N 3.29Å; N624-I626 PolarHBondContact O-N 2.8Å; I626-L629 PolarHBondContact O-N 3.35Å; I626-I630 HydrophobicContact CG2-CD1 3.86Å; I626-I630 HydrophobicContact CG2-CG1 4.42Å; I626-I630 VanDerWaalsContact O-CG1 3.32Å; I626-I630 WeakPolarHBondContact O-CG1 3.43Å; I626-I630 PolarHBondContact O-N 3.1Å
627S74.9Confident76.1Confident12 Ų1277.5 Ų77.58%0.08441%0.407CS..Hα-helixtrans-67.1-35.1175.6-172.50000111.7Q622 N624 S625 I630 S631Q622-S627 WeakPolarHBondContact O-CB 3.37Å; Q622-S627 PolarHBondContact O-OG 3.35Å; N624-S627 CarbonylContact O-C 3.54Å; N624-S627 WeakPolarHBondContact O-CA 3.47Å; N624-S627 VanDerWaalsContact O-CB 3.23Å; N624-S627 WeakPolarHBondContact O-CB 3.49Å; N624-S627 PolarHBondContact O-N 3.13Å; S625-S627 VanDerWaalsContact C-N 3.34Å; S627-I630 PolarHBondContact O-N 2.69Å; S627-S631 WeakPolarHBondContact O-CB 3.45Å; S627-S631 PolarHBondContact O-N 3.42Å
628M75.1Confident76.3Confident113 Ų11375.3 Ų75.356%0.55740%0.397SS*.Hα-helixtrans-65.2-42.2172.7-62.9-160-61.900111.9N624 S625 S631 S632N624-M628 PolarHBondContact O-N 3.1Å; S625-M628 PolarHBondContact O-N 3.44Å; M628-S631 WeakPolarHBondContact O-CB 3.48Å; M628-S631 PolarHBondContact O-N 2.96Å; M628-S632 PolarHBondContact O-N 3.44Å; M628-S632 PolarHBondContact O-OG 2.88Å
629L77.8Confident76.3Confident86 Ų8678.1 Ų78.145%0.4541%0.407SS..Hα-helixtrans-61.2-49.3173-70173.1000111.6S625 I626 S631 S632 V633 I641S625-L629 PolarHBondContact O-N 3.19Å; I626-L629 PolarHBondContact O-N 3.35Å; L629-S631 VanDerWaalsContact C-N 3.32Å; L629-S631 PolarHBondContact O-N 3.4Å; L629-S632 PolarHBondContact O-N 2.96Å; L629-V633 WeakPolarHBondContact O-CG2 3.37Å; L629-V633 PolarHBondContact O-N 2.97Å; L629-I641 HydrophobicContact CD2-CD1 3.81Å; L629-I641 HydrophobicContact CD2-CG1 4.45Å
630I79.8Confident76.2Confident88 Ų8880.6 Ų80.645%0.45142%0.421SS..Hα-helixtrans-59-43.9176.3-68.7168.2000110.8L619 I626 S627 S632 V633 V634L619-I630 HydrophobicContact CD2-CG2 4.25Å; I626-I630 HydrophobicContact CG2-CD1 3.86Å; I626-I630 HydrophobicContact CG2-CG1 4.42Å; I626-I630 VanDerWaalsContact O-CG1 3.32Å; I626-I630 WeakPolarHBondContact O-CG1 3.43Å; I626-I630 PolarHBondContact O-N 3.1Å; S627-I630 PolarHBondContact O-N 2.69Å; I630-S632 PolarHBondContact O-N 3.13Å; I630-V633 PolarHBondContact O-N 3.46Å; I630-V634 HydrophobicContact CG2-CG2 4.19Å; I630-V634 WeakPolarHBondContact O-CB 3.4Å; I630-V634 VanDerWaalsContact O-CG2 3.3Å; I630-V634 WeakPolarHBondContact O-CG2 3.15Å; I630-V634 PolarHBondContact O-N 3.15Å
631S76.9Confident76.5Confident35 Ų3577.7 Ų77.725%0.24540%0.399CS..Hα-helixtrans-57.4-47.1177.4-174.60000111.4S627 M628 L629 V634 T635S627-S631 WeakPolarHBondContact O-CB 3.45Å; S627-S631 PolarHBondContact O-N 3.42Å; M628-S631 WeakPolarHBondContact O-CB 3.48Å; M628-S631 PolarHBondContact O-N 2.96Å; L629-S631 VanDerWaalsContact C-N 3.32Å; L629-S631 PolarHBondContact O-N 3.4Å; S631-V634 PolarHBondContact O-N 3.46Å; S631-T635 WeakPolarHBondContact O-CB 3.23Å; S631-T635 WeakPolarHBondContact O-CG2 3.37Å; S631-T635 PolarHBondContact O-N 2.65Å; S631-T635 PolarHBondContact O-OG1 3.19Å
632S76.1Confident76.9Confident7 Ų772.8 Ų72.85%0.04938%0.378CS..Hα-helixtrans-71.2-31.8178.3-66.70000113.5M628 L629 I630 Q636 N637 I641M628-S632 PolarHBondContact O-N 3.44Å; M628-S632 PolarHBondContact O-OG 2.88Å; L629-S632 PolarHBondContact O-N 2.96Å; I630-S632 PolarHBondContact O-N 3.13Å; S632-Q636 CarbonylContact O-C 3.6Å; S632-Q636 WeakPolarHBondContact O-CA 3.44Å; S632-Q636 PolarHBondContact O-N 3.4Å; S632-N637 PolarHBondContact O-N 3.29Å; S632-N637 PolarHBondContact OG-O 3.43Å; S632-I641 WeakPolarHBondContact OG-CG1 3.11Å
633V82.1Confident77.5Confident60 Ų6075.5 Ų75.536%0.36439%0.391SS..Hα-helixtrans-65.6-45.8170.91770000111L629 I630 W638 Y660L629-V633 WeakPolarHBondContact O-CG2 3.37Å; L629-V633 PolarHBondContact O-N 2.97Å; I630-V633 PolarHBondContact O-N 3.46Å; V633-W638 HydrophobicContact CB-CH2 4.28Å; V633-W638 HydrophobicContact CG2-CH2 3.85Å; V633-W638 HydrophobicContact CG2-CZ3 4.28Å; V633-Y660 HydrophobicContact CG2-CE2 4.46Å
634V78.8Confident78.2Confident73 Ų7372.5 Ų72.544%0.44238%0.383SS..Hα-helixtrans-71.8-37.8-177.9171.40000112.2I630 S631I630-V634 HydrophobicContact CG2-CG2 4.19Å; I630-V634 WeakPolarHBondContact O-CB 3.4Å; I630-V634 VanDerWaalsContact O-CG2 3.3Å; I630-V634 WeakPolarHBondContact O-CG2 3.15Å; I630-V634 PolarHBondContact O-N 3.15Å; S631-V634 PolarHBondContact O-N 3.46Å
635T75.4Confident78.5Confident81 Ų8168.6 Ų68.650%0.49736%0.364SS..Hα-helixtrans-89-5.9178.359.90000114S631 N637S631-T635 WeakPolarHBondContact O-CB 3.23Å; S631-T635 WeakPolarHBondContact O-CG2 3.37Å; S631-T635 PolarHBondContact O-N 2.65Å; S631-T635 PolarHBondContact O-OG1 3.19Å; T635-N637 PolarHBondContact O-N 3.48Å
636Q75.6Confident79Confident138 Ų13871 Ų7165%0.64537%0.365SS*.  trans5613.6-172.6-56.3-178.6-4.900114.7S632 W638S632-Q636 CarbonylContact O-C 3.6Å; S632-Q636 WeakPolarHBondContact O-CA 3.44Å; S632-Q636 PolarHBondContact O-N 3.4Å; Q636-W638 PolarHBondContact O-N 2.95Å; Q636-W638 VanDerWaalsContact O-N 3.1Å; Q636-W638 PolarHBondContact O-NE1 3.23Å
637N76.4Confident79.1Confident56 Ų5666.6 Ų66.630%0.29934%0.343SS..  trans-85.882.7-178.9-172.712.3000112.1S632 T635 R639 D640S632-N637 PolarHBondContact O-N 3.29Å; S632-N637 PolarHBondContact OG-O 3.43Å; T635-N637 PolarHBondContact O-N 3.48Å; N637-R639 PolarHBondContact O-N 2.68Å; N637-R639 VanDerWaalsContact OD1-CB 3.3Å; N637-R639 WeakPolarHBondContact OD1-CB 3.5Å; N637-R639 PolarHBondContact OD1-N 2.99Å; N637-D640 PolarHBondContact ND2-OD1 2.98Å; N637-D640 PolarHBondContact ND2-OD2 3.14Å
638W81.2Confident79.5Confident20 Ų2071.4 Ų71.48%0.07637%0.368CS..Hα-helixtrans-68.4-18.8177.2-52.5107000113.8V633 Q636 D640 I641 V642 A656 L657 Y660 F669V633-W638 HydrophobicContact CB-CH2 4.28Å; V633-W638 HydrophobicContact CG2-CH2 3.85Å; V633-W638 HydrophobicContact CG2-CZ3 4.28Å; Q636-W638 PolarHBondContact O-N 2.95Å; Q636-W638 VanDerWaalsContact O-N 3.1Å; Q636-W638 PolarHBondContact O-NE1 3.23Å; W638-D640 VanDerWaalsContact C-N 3.31Å; W638-D640 PolarHBondContact O-N 3.3Å; W638-I641 HydrophobicContact CE3-CD1 3.94Å; W638-I641 HydrophobicContact CZ3-CD1 4.01Å; W638-I641 PolarHBondContact O-N 2.61Å; W638-V642 WeakPolarHBondContact O-CG2 3.31Å; W638-V642 PolarHBondContact O-N 2.99Å; W638-V642 VanDerWaalsContact O-N 3.1Å; W638-A656 HydrophobicContact CZ3-CB 4.42Å; W638-L657 HydrophobicContact CB-CD2 4.06Å; W638-Y660 VanDerWaalsContact CH2-CB 3.4Å; W638-Y660 HydrophobicContact CH2-CD1 4.32Å; W638-Y660 AromaticContact CH2-CD2 3.58Å; W638-Y660 HydrophobicContact CH2-CD2 3.58Å; W638-Y660 HydrophobicContact CH2-CE2 4.41Å; W638-Y660 AromaticContact CH2-CG 3.53Å; W638-Y660 HydrophobicContact CH2-CG 3.53Å; W638-Y660 HydrophobicContact CZ2-CD1 4.47Å; W638-Y660 HydrophobicContact CZ2-CD2 4.33Å; W638-Y660 AromaticContact CZ2-CG 3.82Å; W638-Y660 HydrophobicContact CZ2-CG 3.82Å; W638-Y660 AromaticContact CZ3-CD2 4Å; W638-Y660 HydrophobicContact CZ3-CD2 4Å; W638-Y660 HydrophobicContact CZ3-CG 4.31Å; W638-F669 HydrophobicContact CB-CD2 4.43Å; W638-F669 HydrophobicContact CB-CE1 4.41Å; W638-F669 HydrophobicContact CB-CE2 4.08Å; W638-F669 HydrophobicContact CB-CZ 4.09Å
639R81.4Confident79.9Confident120 Ų12069 Ų6945%0.45336%0.357SS..Hα-helixtrans-61.3-40.9178-170.4177.4-61.8-75.9-4.7111.5N637 I641 V642 Q643 F669N637-R639 PolarHBondContact O-N 2.68Å; N637-R639 VanDerWaalsContact OD1-CB 3.3Å; N637-R639 WeakPolarHBondContact OD1-CB 3.5Å; N637-R639 PolarHBondContact OD1-N 2.99Å; R639-I641 PolarHBondContact O-N 3.24Å; R639-V642 PolarHBondContact O-N 3.47Å; R639-Q643 VanDerWaalsContact O-CB 3.27Å; R639-Q643 WeakPolarHBondContact O-CB 3.29Å; R639-Q643 PolarHBondContact O-N 2.96Å; R639-F669 HydrophobicContact CB-CE1 4.14Å
640D77.3Confident80.4Confident73 Ų7365.4 Ų65.439%0.3934%0.337SS..Hα-helixtrans-67.6-35.8-176.9-67.52.8000111.9N637 W638 N644N637-D640 PolarHBondContact ND2-OD1 2.98Å; N637-D640 PolarHBondContact ND2-OD2 3.14Å; W638-D640 VanDerWaalsContact C-N 3.31Å; W638-D640 PolarHBondContact O-N 3.3Å; D640-N644 WeakPolarHBondContact O-CB 3.34Å; D640-N644 PolarHBondContact O-N 3.42Å; D640-N644 PolarHBondContact O-ND2 2.68Å
641I80.9Confident80.7Confident15 Ų1564.7 Ų64.78%0.07733%0.331CS..Hα-helixtrans-63.8-55.8170-65.2177.7000109.1L629 S632 W638 R639 Q643 N644 C645 A653L629-I641 HydrophobicContact CD2-CD1 3.81Å; L629-I641 HydrophobicContact CD2-CG1 4.45Å; S632-I641 WeakPolarHBondContact OG-CG1 3.11Å; W638-I641 HydrophobicContact CE3-CD1 3.94Å; W638-I641 HydrophobicContact CZ3-CD1 4.01Å; W638-I641 PolarHBondContact O-N 2.61Å; R639-I641 PolarHBondContact O-N 3.24Å; I641-Q643 PolarHBondContact O-N 3.43Å; I641-N644 PolarHBondContact O-N 3.04Å; I641-C645 HydrophobicContact CG2-CB 4.39Å; I641-C645 WeakPolarHBondContact O-CB 3.29Å; I641-C645 PolarHBondContact O-N 3.3Å; I641-A653 HydrophobicContact CG2-CB 4.07Å
642V82.1Confident81.2Confident1 Ų167.1 Ų67.11%0.00634%0.339CS..Hα-helixtrans-60.1-33.6-173.4171.90000112.3W638 R639 L657 F669 T672 L673 R676W638-V642 WeakPolarHBondContact O-CG2 3.31Å; W638-V642 PolarHBondContact O-N 2.99Å; W638-V642 VanDerWaalsContact O-N 3.1Å; R639-V642 PolarHBondContact O-N 3.47Å; V642-L657 HydrophobicContact CG2-CD1 3.83Å; V642-L657 HydrophobicContact CG2-CD2 3.89Å; V642-L657 HydrophobicContact CG2-CG 4.15Å; V642-F669 HydrophobicContact CG2-CB 4.3Å; V642-F669 HydrophobicContact CG2-CD1 4.45Å; V642-T672 HydrophobicContact CG1-CG2 3.77Å; V642-L673 HydrophobicContact CG1-CB 4.08Å; V642-R676 WeakPolarHBondContact O-CD 3.43Å; V642-R676 PolarHBondContact O-NH1 2.75Å
643Q83.2Confident81.6Confident110 Ų11066.9 Ų66.951%0.51434%0.337SS..Hα-helixtrans-88.1-32-178.3-167.6161.3-5.900114.1R639 I641 R676R639-Q643 VanDerWaalsContact O-CB 3.27Å; R639-Q643 WeakPolarHBondContact O-CB 3.29Å; R639-Q643 PolarHBondContact O-N 2.96Å; I641-Q643 PolarHBondContact O-N 3.43Å; Q643-R676 PolarHBondContact O-NE 3.18Å; Q643-R676 PolarHBondContact O-NH1 3.11Å; Q643-R676 PolarHBondContact O-NH2 3.42Å
644N81.7Confident81.8Confident112 Ų11264 Ų6460%0.59932%0.32SS*.Hα-helixtrans-108.6-8.2-174-53-56.1000114.8D640 I641D640-N644 WeakPolarHBondContact O-CB 3.34Å; D640-N644 PolarHBondContact O-N 3.42Å; D640-N644 PolarHBondContact O-ND2 2.68Å; I641-N644 PolarHBondContact O-N 3.04Å
645C81Confident82.1Confident25 Ų2561 Ų6117%0.16930%0.302CS..SBendtrans-62.2139.4177.1-175.50000111.8I641 A653 R676I641-C645 HydrophobicContact CG2-CB 4.39Å; I641-C645 WeakPolarHBondContact O-CB 3.29Å; I641-C645 PolarHBondContact O-N 3.3Å; C645-A653 HydrophobicContact CB-CB 4.46Å; C645-R676 PolarHBondContact O-NH1 3.49Å; C645-R676 PolarHBondContact O-NH2 2.98Å
646E82.4Confident82.5Confident141 Ų14157.8 Ų57.866%0.65928%0.284SS*.  trans-60.7137.3168.9-63.7170.1157.200110D648 N649E646-D648 PolarHBondContact O-N 2.95Å; E646-N649 PolarHBondContact O-N 3.42Å; E646-N649 PolarHBondContact OE2-ND2 2.98Å
647L81.8Confident82.9Confident32 Ų3251.3 Ų51.317%0.16825%0.254CS..G310 helixtrans-73.9-12.1-167.7-65.8173.1000114.2R676 L677 E680L647-R676 HydrophobicContact CD2-CB 3.99Å; L647-L677 HydrophobicContact CB-CD2 4.32Å; L647-L677 HydrophobicContact CD2-CD2 4.19Å; L647-L677 HydrophobicContact CD2-CG 4.47Å; L647-E680 HydrophobicContact CD1-CB 4.42Å; L647-E680 HydrophobicContact CD1-CG 4.4Å; L647-E680 WeakPolarHBondContact CD1-OE2 3.33Å
648D81.9Confident83.3Confident114 Ų11448.9 Ų48.961%0.6124%0.241SC*.G310 helixtrans-78.4-25.9170.5-64.4-31.6000112.4E646 W650 R685E646-D648 PolarHBondContact O-N 2.95Å; D648-W650 PolarHBondContact O-N 2.98Å; D648-R685 IonicContact OD1-CZ 2.83Å; D648-R685 IonicContact OD1-NE 3.59Å; D648-R685 IonicContact OD1-NH2 2.85Å; D648-R685 PolarHBondContact OD1-NH2 2.91Å; D648-R685 IonicContact OD2-NH2 2.7Å
649N84.9Confident83.4Confident63 Ų6351.4 Ų51.434%0.33726%0.258SS..G310 helixtrans-88.726176.9-61.5-46.3000112.5E646 K651 E652 A653E646-N649 PolarHBondContact O-N 3.42Å; E646-N649 PolarHBondContact OE2-ND2 2.98Å; N649-K651 VanDerWaalsContact C-N 3.26Å; N649-K651 PolarHBondContact O-N 3.46Å; N649-E652 VanDerWaalsContact CA-OE2 3.24Å; N649-E652 WeakPolarHBondContact CA-OE2 3.48Å; N649-E652 PolarHBondContact O-N 3.43Å; N649-A653 PolarHBondContact O-N 2.84Å; N649-A653 VanDerWaalsContact O-N 3.16Å
650W86.8Confident83.4Confident10 Ų1051.7 Ų51.74%0.03826%0.26CS..Hα-helixtrans-66.2-27.2-175.871.1-89.7000113.1L490 D648 L654 L677 Q688 L691L490-W650 HydrophobicContact CD2-CH2 4.25Å; L490-W650 HydrophobicContact CD2-CZ3 4.18Å; D648-W650 PolarHBondContact O-N 2.98Å; W650-L654 HydrophobicContact CE3-CD2 4.38Å; W650-L654 HydrophobicContact CZ3-CD2 3.96Å; W650-L654 WeakPolarHBondContact O-CB 3.41Å; W650-L654 PolarHBondContact O-N 3.33Å; W650-L677 HydrophobicContact CB-CD1 4.25Å; W650-L677 HydrophobicContact CB-CD2 4.24Å; W650-L677 HydrophobicContact CG-CD1 4.42Å; W650-L677 HydrophobicContact CG-CD2 4.42Å; W650-Q688 HydrophobicContact CD2-CB 4.3Å; W650-Q688 HydrophobicContact CH2-CB 4.3Å; W650-Q688 HydrophobicContact CH2-CG 4.25Å; W650-Q688 HydrophobicContact CZ2-CB 3.92Å; W650-Q688 HydrophobicContact CZ2-CG 3.51Å; W650-L691 HydrophobicContact CH2-CD1 3.8Å
651K86.9Confident83.7Confident73 Ų7348.3 Ų48.332%0.31724%0.243SC..Hα-helixtrans-69.2-41178.2-66.8-168.2173.3-168.70111.1L490 F492 N649 L654 A655L490-K651 HydrophobicContact CD2-CB 4.27Å; L490-K651 HydrophobicContact CD2-CD 4.39Å; L490-K651 HydrophobicContact CD2-CG 4.09Å; F492-K651 HydrophobicContact CE2-CB 4.18Å; N649-K651 VanDerWaalsContact C-N 3.26Å; N649-K651 PolarHBondContact O-N 3.46Å; K651-L654 PolarHBondContact O-N 3.01Å; K651-A655 VanDerWaalsContact O-CB 3.23Å; K651-A655 WeakPolarHBondContact O-CB 3.37Å; K651-A655 PolarHBondContact O-N 3.23Å
652E86.6Confident83.7Confident86 Ų8653.2 Ų53.240%0.40227%0.265SS..Hα-helixtrans-65.5-43.7176.9-65.963.6-150.300110F492 N649 A655 A656F492-E652 HydrophobicContact CZ-CG 3.93Å; N649-E652 VanDerWaalsContact CA-OE2 3.24Å; N649-E652 WeakPolarHBondContact CA-OE2 3.48Å; N649-E652 PolarHBondContact O-N 3.43Å; E652-A655 PolarHBondContact O-N 2.66Å; E652-A656 PolarHBondContact O-N 3.08Å
653A85.6Confident83.4Confident2 Ų258.1 Ų58.12%0.01730%0.297CS..Hα-helixtrans-62.1-46.3173.300000112.2I641 C645 N649 A655 A656 L657 L673I641-A653 HydrophobicContact CG2-CB 4.07Å; C645-A653 HydrophobicContact CB-CB 4.46Å; N649-A653 PolarHBondContact O-N 2.84Å; N649-A653 VanDerWaalsContact O-N 3.16Å; A653-A655 PolarHBondContact O-N 2.84Å; A653-A656 PolarHBondContact O-N 3.38Å; A653-L657 WeakPolarHBondContact O-CG 3.45Å; A653-L657 PolarHBondContact O-N 3.43Å; A653-L657 VanDerWaalsContact O-N 3.07Å; A653-L673 HydrophobicContact CB-CD1 4.46Å; A653-L673 HydrophobicContact CB-CD2 4.25Å
654L85.9Confident83.2Confident0 Ų061.5 Ų61.50%031%0.313CS..Hα-helixtrans-66.5-36.1177.5-175.259.9000112.2L490 W650 K651 L657 L658 L673L490-L654 HydrophobicContact CD1-CB 4.31Å; L490-L654 HydrophobicContact CD1-CD2 4.04Å; L490-L654 HydrophobicContact CD1-CG 4.02Å; L490-L654 HydrophobicContact CD2-CD2 4.27Å; W650-L654 HydrophobicContact CE3-CD2 4.38Å; W650-L654 HydrophobicContact CZ3-CD2 3.96Å; W650-L654 WeakPolarHBondContact O-CB 3.41Å; W650-L654 PolarHBondContact O-N 3.33Å; K651-L654 PolarHBondContact O-N 3.01Å; L654-L657 PolarHBondContact O-N 3.02Å; L654-L658 HydrophobicContact CG-CD1 4.21Å; L654-L658 WeakPolarHBondContact O-CB 3.48Å; L654-L658 WeakPolarHBondContact O-CG 3.42Å; L654-L658 PolarHBondContact O-N 3.13Å; L654-L673 HydrophobicContact CB-CD2 4.13Å
655A85.4Confident83.2Confident8 Ų860 Ų607%0.06631%0.305CS..Hα-helixtrans-66.3-38.8174.200000112.3L487 L490 F492 K651 E652 A653 L658 T659L487-A655 HydrophobicContact CD2-CB 3.66Å; L490-A655 HydrophobicContact CD1-CB 4.45Å; F492-A655 HydrophobicContact CD2-CB 3.56Å; F492-A655 HydrophobicContact CE2-CB 3.85Å; F492-A655 HydrophobicContact CG-CB 4.05Å; K651-A655 VanDerWaalsContact O-CB 3.23Å; K651-A655 WeakPolarHBondContact O-CB 3.37Å; K651-A655 PolarHBondContact O-N 3.23Å; E652-A655 PolarHBondContact O-N 2.66Å; A653-A655 PolarHBondContact O-N 2.84Å; A655-L658 PolarHBondContact O-N 3.19Å; A655-T659 WeakPolarHBondContact O-CB 3.4Å; A655-T659 PolarHBondContact O-N 3.1Å; A655-T659 PolarHBondContact O-OG1 3.42Å
656A83.1Confident83.4Confident15 Ų1559.7 Ų59.712%0.12430%0.301CS..Hα-helixtrans-61.4-44.6172.100000111.5W638 E652 A653 T659 Y660W638-A656 HydrophobicContact CZ3-CB 4.42Å; E652-A656 PolarHBondContact O-N 3.08Å; A653-A656 PolarHBondContact O-N 3.38Å; A656-T659 PolarHBondContact O-N 3.44Å; A656-Y660 PolarHBondContact O-N 3.11Å
657L84.4Confident83.6Confident2 Ų254.7 Ų54.71%0.0128%0.283CS..Hα-helixtrans-61.4-46.9175.1-68.3178.3000112.6W638 V642 A653 L654 T659 A661 F666 F669W638-L657 HydrophobicContact CB-CD2 4.06Å; V642-L657 HydrophobicContact CG2-CD1 3.83Å; V642-L657 HydrophobicContact CG2-CD2 3.89Å; V642-L657 HydrophobicContact CG2-CG 4.15Å; A653-L657 WeakPolarHBondContact O-CG 3.45Å; A653-L657 PolarHBondContact O-N 3.43Å; A653-L657 VanDerWaalsContact O-N 3.07Å; L654-L657 PolarHBondContact O-N 3.02Å; L657-T659 PolarHBondContact O-N 3.05Å; L657-A661 HydrophobicContact CB-CB 4.48Å; L657-A661 HydrophobicContact CD2-CB 4.13Å; L657-A661 WeakPolarHBondContact O-CB 3.34Å; L657-A661 PolarHBondContact O-N 3.27Å; L657-F666 HydrophobicContact CB-CD2 4.12Å; L657-F666 HydrophobicContact CB-CE2 4.06Å; L657-F669 HydrophobicContact CD1-CB 3.72Å; L657-F669 HydrophobicContact CD2-CB 3.56Å; L657-F669 HydrophobicContact CD2-CD2 4Å; L657-F669 HydrophobicContact CD2-CG 3.9Å; L657-F669 HydrophobicContact CG-CB 4.28Å
658L83.7Confident83.9Confident4 Ų456.5 Ų56.52%0.02130%0.298CS..Hα-helixtrans-59.9-33.9178.1-77.9163.5000112.6R483 F486 L487 L490 L654 A655 F666R483-L658 HydrophobicContact CB-CD2 4.32Å; R483-L658 HydrophobicContact CG-CD2 4.12Å; F486-L658 HydrophobicContact CB-CD1 3.68Å; F486-L658 HydrophobicContact CB-CD2 3.94Å; F486-L658 HydrophobicContact CD2-CD2 4.09Å; F486-L658 HydrophobicContact CG-CD2 4.41Å; L487-L658 HydrophobicContact CD1-CB 4.41Å; L487-L658 HydrophobicContact CD2-CB 3.85Å; L487-L658 HydrophobicContact CD2-CD1 4.16Å; L487-L658 HydrophobicContact CG-CB 3.94Å; L487-L658 HydrophobicContact CG-CD1 4.24Å; L490-L658 HydrophobicContact CD1-CD1 3.59Å; L654-L658 HydrophobicContact CG-CD1 4.21Å; L654-L658 WeakPolarHBondContact O-CB 3.48Å; L654-L658 WeakPolarHBondContact O-CG 3.42Å; L654-L658 PolarHBondContact O-N 3.13Å; A655-L658 PolarHBondContact O-N 3.19Å; L658-F666 HydrophobicContact CD2-CE2 3.78Å; L658-F666 HydrophobicContact CD2-CZ 3.53Å; L658-F666 HydrophobicContact CG-CE2 3.95Å; L658-F666 HydrophobicContact CG-CZ 4.12Å
659T84.1Confident84.2Confident73 Ų7352 Ų5245%0.44827%0.273SS..Hα-helixtrans-81.8-44.7-177.4-53.70000112.8A655 A656 L657A655-T659 WeakPolarHBondContact O-CB 3.4Å; A655-T659 PolarHBondContact O-N 3.1Å; A655-T659 PolarHBondContact O-OG1 3.42Å; A656-T659 PolarHBondContact O-N 3.44Å; L657-T659 PolarHBondContact O-N 3.05Å
660Y82.1Confident84.3Confident126 Ų12649 Ų4949%0.49426%0.257SS..Hα-helixtrans-118.5-16.3-166.2-60.7-75.9000115.9V633 W638 A656V633-Y660 HydrophobicContact CG2-CE2 4.46Å; W638-Y660 VanDerWaalsContact CH2-CB 3.4Å; W638-Y660 HydrophobicContact CH2-CD1 4.32Å; W638-Y660 AromaticContact CH2-CD2 3.58Å; W638-Y660 HydrophobicContact CH2-CD2 3.58Å; W638-Y660 HydrophobicContact CH2-CE2 4.41Å; W638-Y660 AromaticContact CH2-CG 3.53Å; W638-Y660 HydrophobicContact CH2-CG 3.53Å; W638-Y660 HydrophobicContact CZ2-CD1 4.47Å; W638-Y660 HydrophobicContact CZ2-CD2 4.33Å; W638-Y660 AromaticContact CZ2-CG 3.82Å; W638-Y660 HydrophobicContact CZ2-CG 3.82Å; W638-Y660 AromaticContact CZ3-CD2 4Å; W638-Y660 HydrophobicContact CZ3-CD2 4Å; W638-Y660 HydrophobicContact CZ3-CG 4.31Å; A656-Y660 PolarHBondContact O-N 3.11Å
661A83Confident84.3Confident3 Ų349.4 Ų49.43%0.02526%0.26CS..SBendtrans-80.4137.3-176.400000112.4R483 L657 F666 F669R483-A661 PolarHBondContact NH1-O 3.19Å; R483-A661 PolarHBondContact NH2-O 2.81Å; L657-A661 HydrophobicContact CB-CB 4.48Å; L657-A661 HydrophobicContact CD2-CB 4.13Å; L657-A661 WeakPolarHBondContact O-CB 3.34Å; L657-A661 PolarHBondContact O-N 3.27Å; A661-F666 HydrophobicContact CB-CB 4.32Å; A661-F666 HydrophobicContact CB-CD2 4.32Å; A661-F669 HydrophobicContact CB-CD2 4.31Å
662H80.6Confident84.4Confident118 Ų11847.9 Ų47.955%0.54626%0.257SS..  trans-58.8151.4175.1-70.2-69.3000112E664 D665 F666H662-E664 VanDerWaalsContact C-N 3.25Å; H662-E664 PolarHBondContact O-N 3.02Å; H662-D665 PolarHBondContact O-N 2.97Å; H662-F666 VanDerWaalsContact O-CB 3.23Å; H662-F666 WeakPolarHBondContact O-CB 3.49Å; H662-F666 PolarHBondContact O-N 2.7Å
663P77.1Confident84.5Confident104 Ų10443.9 Ų43.968%0.67524%0.238SC*.Hα-helixtrans-55.9-34.4-177.2-28.837.1000115.2
664E77.9Confident84.6Confident180 Ų18043.8 Ų43.884%0.84124%0.237SC*.Hα-helixtrans-76.5-48.2-175.9-56.7-172.3177.700111.8H662H662-E664 VanDerWaalsContact C-N 3.25Å; H662-E664 PolarHBondContact O-N 3.02Å
665D81.8Confident84.8Confident82 Ų8246.7 Ų46.744%0.43925%0.253SS..Hα-helixtrans-74.6-24.9179.3-57.5-66.3000114H662 A667 C668 F669H662-D665 PolarHBondContact O-N 2.97Å; D665-A667 VanDerWaalsContact C-N 3.28Å; D665-A667 PolarHBondContact O-N 2.81Å; D665-C668 WeakPolarHBondContact O-CA 3.43Å; D665-C668 WeakPolarHBondContact O-CB 3.05Å; D665-C668 PolarHBondContact O-N 2.89Å; D665-F669 HydrophobicContact CB-CD2 3.8Å; D665-F669 HydrophobicContact CB-CE2 3.46Å; D665-F669 VanDerWaalsContact CB-CE2 3.46Å; D665-F669 HydrophobicContact CB-CZ 4.32Å; D665-F669 WeakPolarHBondContact O-CD2 3.43Å; D665-F669 PolarHBondContact O-N 3.44Å
666F85.9Confident85Confident18 Ų1849.4 Ų49.48%0.07926%0.261CS..Hα-helixtrans-52.9-42.4-174.1171.2-100.7000113.1L657 L658 A661 H662 F669 C670 C695L657-F666 HydrophobicContact CB-CD2 4.12Å; L657-F666 HydrophobicContact CB-CE2 4.06Å; L658-F666 HydrophobicContact CD2-CE2 3.78Å; L658-F666 HydrophobicContact CD2-CZ 3.53Å; L658-F666 HydrophobicContact CG-CE2 3.95Å; L658-F666 HydrophobicContact CG-CZ 4.12Å; A661-F666 HydrophobicContact CB-CB 4.32Å; A661-F666 HydrophobicContact CB-CD2 4.32Å; H662-F666 VanDerWaalsContact O-CB 3.23Å; H662-F666 WeakPolarHBondContact O-CB 3.49Å; H662-F666 PolarHBondContact O-N 2.7Å; F666-F669 PolarHBondContact O-N 3.15Å; F666-C670 WeakPolarHBondContact CE2-SG 3.25Å; F666-C670 WeakPolarHBondContact CZ-SG 3.24Å; F666-C670 WeakPolarHBondContact O-CB 3.24Å; F666-C670 PolarHBondContact O-N 3.14Å; F666-C670 PolarHBondContact O-SG 3.01Å; F666-C695 HydrophobicContact CE1-CB 4.5Å; F666-C695 WeakPolarHBondContact CE1-O 3.32Å; F666-C695 HydrophobicContact CZ-CB 4.29Å
667A85.3Confident85.2Confident35 Ų3548.7 Ų48.729%0.28926%0.255SS..Hα-helixtrans-64.2-43.1177.400000111.7D665 C670 D671 S696D665-A667 VanDerWaalsContact C-N 3.28Å; D665-A667 PolarHBondContact O-N 2.81Å; A667-C670 PolarHBondContact O-N 2.97Å; A667-D671 VanDerWaalsContact O-CB 3.32Å; A667-D671 WeakPolarHBondContact O-CB 3.33Å; A667-D671 PolarHBondContact O-N 3.21Å; A667-S696 WeakPolarHBondContact O-CB 3.37Å
668C88Confident85.3Confident70 Ų7049.9 Ų49.947%0.47326%0.263SS..Hα-helixtrans-64.6-39.5178.4-174.30000112.4D665 T672D665-C668 WeakPolarHBondContact O-CA 3.43Å; D665-C668 WeakPolarHBondContact O-CB 3.05Å; D665-C668 PolarHBondContact O-N 2.89Å; C668-T672 WeakPolarHBondContact O-CB 3.19Å; C668-T672 PolarHBondContact O-N 3.37Å; C668-T672 PolarHBondContact O-OG1 3.04Å
669F88.4Confident85.3Confident19 Ų1957.7 Ų57.78%0.08330%0.299CS..Hα-helixtrans-68.8-42.6174.7-69.4-51.5000112.6W638 R639 V642 L657 A661 D665 F666 D671 T672 L673W638-F669 HydrophobicContact CB-CD2 4.43Å; W638-F669 HydrophobicContact CB-CE1 4.41Å; W638-F669 HydrophobicContact CB-CE2 4.08Å; W638-F669 HydrophobicContact CB-CZ 4.09Å; R639-F669 HydrophobicContact CB-CE1 4.14Å; V642-F669 HydrophobicContact CG2-CB 4.3Å; V642-F669 HydrophobicContact CG2-CD1 4.45Å; L657-F669 HydrophobicContact CD1-CB 3.72Å; L657-F669 HydrophobicContact CD2-CB 3.56Å; L657-F669 HydrophobicContact CD2-CD2 4Å; L657-F669 HydrophobicContact CD2-CG 3.9Å; L657-F669 HydrophobicContact CG-CB 4.28Å; A661-F669 HydrophobicContact CB-CD2 4.31Å; D665-F669 HydrophobicContact CB-CD2 3.8Å; D665-F669 HydrophobicContact CB-CE2 3.46Å; D665-F669 VanDerWaalsContact CB-CE2 3.46Å; D665-F669 HydrophobicContact CB-CZ 4.32Å; D665-F669 WeakPolarHBondContact O-CD2 3.43Å; D665-F669 PolarHBondContact O-N 3.44Å; F666-F669 PolarHBondContact O-N 3.15Å; F669-D671 VanDerWaalsContact C-N 3.34Å; F669-D671 PolarHBondContact O-N 3.08Å; F669-T672 PolarHBondContact O-N 3.47Å; F669-L673 PolarHBondContact O-N 3.33Å
670C86.7Confident85.2Confident0 Ų058.1 Ų58.10%030%0.296CS..Hα-helixtrans-62.6-41.3175.3-68.80000111.8F666 A667 T672 L673 G674F666-C670 WeakPolarHBondContact CE2-SG 3.25Å; F666-C670 WeakPolarHBondContact CZ-SG 3.24Å; F666-C670 WeakPolarHBondContact O-CB 3.24Å; F666-C670 PolarHBondContact O-N 3.14Å; F666-C670 PolarHBondContact O-SG 3.01Å; A667-C670 PolarHBondContact O-N 2.97Å; C670-T672 VanDerWaalsContact C-N 3.31Å; C670-T672 PolarHBondContact O-N 2.84Å; C670-L673 PolarHBondContact O-N 3.16Å; C670-G674 PolarHBondContact O-N 3.39Å
671D88.1Confident84.8Confident20 Ų2054.3 Ų54.311%0.10729%0.294CS..Hα-helixtrans-60.9-37.2172.8-98.932.8000112.9A667 F669 N675 S696 N698 K701A667-D671 VanDerWaalsContact O-CB 3.32Å; A667-D671 WeakPolarHBondContact O-CB 3.33Å; A667-D671 PolarHBondContact O-N 3.21Å; F669-D671 VanDerWaalsContact C-N 3.34Å; F669-D671 PolarHBondContact O-N 3.08Å; D671-N675 WeakPolarHBondContact O-CB 3.32Å; D671-N675 VanDerWaalsContact O-CG 3.23Å; D671-N675 PolarHBondContact O-N 3.21Å; D671-N675 PolarHBondContact O-OD1 3.11Å; D671-S696 VanDerWaalsContact OD1-CB 3.22Å; D671-S696 WeakPolarHBondContact OD1-CB 3.27Å; D671-S696 PolarHBondContact OD1-OG 2.71Å; D671-N698 WeakPolarHBondContact OD1-CB 3.39Å; D671-N698 PolarHBondContact OD2-ND2 3.32Å; D671-K701 WeakPolarHBondContact OD2-CD 3.05Å; D671-K701 WeakPolarHBondContact OD2-CE 3.45Å; D671-K701 IonicContact OD2-NZ 3.32Å; D671-K701 PolarHBondContact OD2-NZ 3.01Å
672T89.3Confident84.8Confident41 Ų4157 Ų5725%0.25231%0.311SS..Hα-helixtrans-71.2-39.6177.8-55.70000111V642 C668 F669 C670 R676V642-T672 HydrophobicContact CG1-CG2 3.77Å; C668-T672 WeakPolarHBondContact O-CB 3.19Å; C668-T672 PolarHBondContact O-N 3.37Å; C668-T672 PolarHBondContact O-OG1 3.04Å; F669-T672 PolarHBondContact O-N 3.47Å; C670-T672 VanDerWaalsContact C-N 3.31Å; C670-T672 PolarHBondContact O-N 2.84Å; T672-R676 PolarHBondContact O-N 3.47Å
673L88.1Confident84.7Confident2 Ų256.4 Ų56.41%0.0131%0.308CS..Hα-helixtrans-65.9-44.9174.5-174.661000111.5V642 A653 L654 F669 C670 R676 L677V642-L673 HydrophobicContact CG1-CB 4.08Å; A653-L673 HydrophobicContact CB-CD1 4.46Å; A653-L673 HydrophobicContact CB-CD2 4.25Å; L654-L673 HydrophobicContact CB-CD2 4.13Å; F669-L673 PolarHBondContact O-N 3.33Å; C670-L673 PolarHBondContact O-N 3.16Å; L673-R676 PolarHBondContact O-N 3.06Å; L673-L677 HydrophobicContact CG-CD1 4.45Å; L673-L677 PolarHBondContact O-N 3.18Å; L673-L677 VanDerWaalsContact O-N 3.13Å
674G88.6Confident85Confident0 Ų059.3 Ų59.30%031%0.31CS..Hα-helixtrans-58.2-47.5174.200000112C670 R676 L677 V678 Y693C670-G674 PolarHBondContact O-N 3.39Å; G674-R676 VanDerWaalsContact C-N 3.3Å; G674-R676 PolarHBondContact O-N 3.37Å; G674-L677 PolarHBondContact O-N 2.95Å; G674-L677 VanDerWaalsContact O-N 3.15Å; G674-V678 WeakPolarHBondContact O-CG2 3.46Å; G674-V678 PolarHBondContact O-N 3.27Å; G674-Y693 PolarHBondContact O-OH 2.7Å
675N89.4Confident85.3Confident61 Ų6153 Ų5333%0.32628%0.279SS..Hα-helixtrans-54.2-45.2175.9-82.113.4000111.6D671 V678 H679 Y693 K701D671-N675 WeakPolarHBondContact O-CB 3.32Å; D671-N675 VanDerWaalsContact O-CG 3.23Å; D671-N675 PolarHBondContact O-N 3.21Å; D671-N675 PolarHBondContact O-OD1 3.11Å; N675-V678 PolarHBondContact O-N 2.85Å; N675-H679 PolarHBondContact O-N 3.1Å; N675-H679 PolarHBondContact O-ND1 2.84Å; N675-Y693 PolarHBondContact N-OH 3.29Å; N675-Y693 VanDerWaalsContact N-OH 3.17Å; N675-Y693 PolarHBondContact OD1-OH 2.95Å; N675-K701 PolarHBondContact OD1-NZ 2.78Å
676R89.4Confident85.3Confident64 Ų6449.2 Ų49.224%0.24226%0.259CS..Hα-helixtrans-63.7-41.3178.6-71-178.169.8-137.4-5.9112.8V642 Q643 C645 L647 T672 L673 G674 V678 H679V642-R676 WeakPolarHBondContact O-CD 3.43Å; V642-R676 PolarHBondContact O-NH1 2.75Å; Q643-R676 PolarHBondContact O-NE 3.18Å; Q643-R676 PolarHBondContact O-NH1 3.11Å; Q643-R676 PolarHBondContact O-NH2 3.42Å; C645-R676 PolarHBondContact O-NH1 3.49Å; C645-R676 PolarHBondContact O-NH2 2.98Å; L647-R676 HydrophobicContact CD2-CB 3.99Å; T672-R676 PolarHBondContact O-N 3.47Å; L673-R676 PolarHBondContact O-N 3.06Å; G674-R676 VanDerWaalsContact C-N 3.3Å; G674-R676 PolarHBondContact O-N 3.37Å; R676-V678 VanDerWaalsContact C-N 3.34Å; R676-V678 PolarHBondContact O-N 3.06Å; R676-H679 PolarHBondContact O-N 2.79Å
677L87.1Confident85.3Confident0 Ų049.5 Ų49.50%026%0.261CS..Hα-helixtrans-65-35.6177.9-73.9166.2000112.4L647 W650 L673 G674 R685 Q688 A689L647-L677 HydrophobicContact CB-CD2 4.32Å; L647-L677 HydrophobicContact CD2-CD2 4.19Å; L647-L677 HydrophobicContact CD2-CG 4.47Å; W650-L677 HydrophobicContact CB-CD1 4.25Å; W650-L677 HydrophobicContact CB-CD2 4.24Å; W650-L677 HydrophobicContact CG-CD1 4.42Å; W650-L677 HydrophobicContact CG-CD2 4.42Å; L673-L677 HydrophobicContact CG-CD1 4.45Å; L673-L677 PolarHBondContact O-N 3.18Å; L673-L677 VanDerWaalsContact O-N 3.13Å; G674-L677 PolarHBondContact O-N 2.95Å; G674-L677 VanDerWaalsContact O-N 3.15Å; L677-R685 HydrophobicContact CD2-CB 4.23Å; L677-R685 HydrophobicContact CD2-CG 4.39Å; L677-Q688 HydrophobicContact CD1-CB 4.3Å; L677-A689 HydrophobicContact CB-CB 3.84Å
678V86.1Confident85.3Confident28 Ų2850.3 Ų50.317%0.1726%0.259CS..Hα-helixtrans-69-36.8175176.90000112.3G674 N675 R676 E680 G681 A689 Y693 C705 L708G674-V678 WeakPolarHBondContact O-CG2 3.46Å; G674-V678 PolarHBondContact O-N 3.27Å; N675-V678 PolarHBondContact O-N 2.85Å; R676-V678 VanDerWaalsContact C-N 3.34Å; R676-V678 PolarHBondContact O-N 3.06Å; V678-E680 PolarHBondContact O-N 2.72Å; V678-E680 VanDerWaalsContact O-N 3.08Å; V678-G681 PolarHBondContact O-N 2.75Å; V678-A689 HydrophobicContact CG2-CB 3.58Å; V678-Y693 HydrophobicContact CG2-CE2 4.22Å; V678-C705 HydrophobicContact CG2-CB 4.24Å; V678-C705 VanDerWaalsContact CG2-SG 3.54Å; V678-L708 HydrophobicContact CG1-CD1 4.39Å
679H85.2Confident85.4Confident167 Ų16747 Ų4777%0.77324%0.236SC*.THydrogen-bonded Turntrans-62.8-16.2-179.7-81.769.4000113.9N675 R676N675-H679 PolarHBondContact O-N 3.1Å; N675-H679 PolarHBondContact O-ND1 2.84Å; R676-H679 PolarHBondContact O-N 2.79Å
680E81.7Confident85.3Confident83 Ų8346.1 Ų46.139%0.38823%0.233SC..THydrogen-bonded Turntrans-88.9-2.4176.3-137.6-176.7164.600113.8L647 V678 T682 R685L647-E680 HydrophobicContact CD1-CB 4.42Å; L647-E680 HydrophobicContact CD1-CG 4.4Å; L647-E680 WeakPolarHBondContact CD1-OE2 3.33Å; V678-E680 PolarHBondContact O-N 2.72Å; V678-E680 VanDerWaalsContact O-N 3.08Å; E680-T682 PolarHBondContact O-N 2.98Å; E680-R685 IonicContact OE1-CZ 3.3Å; E680-R685 IonicContact OE1-NH1 3.76Å; E680-R685 PolarHBondContact OE1-NH1 3.24Å; E680-R685 IonicContact OE1-NH2 3.67Å; E680-R685 WeakPolarHBondContact OE2-CD 3.46Å; E680-R685 IonicContact OE2-CZ 2.76Å; E680-R685 IonicContact OE2-NE 2.73Å; E680-R685 PolarHBondContact OE2-NE 3.17Å; E680-R685 IonicContact OE2-NH1 2.63Å; E680-R685 PolarHBondContact OE2-NH1 2.83Å; E680-R685 IonicContact OE2-NH2 2.96Å
681G73.3Confident85.4Confident45 Ų4546.7 Ų46.746%0.46424%0.236SC..  trans66.24.6162.800000117.9V678 H709V678-G681 PolarHBondContact O-N 2.75Å; G681-H709 PolarHBondContact O-CE1 3.36Å; G681-H709 VanDerWaalsContact O-CE1 3.27Å
682T82.1Confident85.4Confident61 Ų6145.7 Ų45.737%0.37423%0.231SC..  trans-91.8135.2177.967.10000111.6E680 K684 R685 C686E680-T682 PolarHBondContact O-N 2.98Å; T682-K684 PolarHBondContact O-N 3.39Å; T682-K684 VanDerWaalsContact O-N 3.13Å; T682-R685 PolarHBondContact O-N 2.91Å; T682-R685 WeakPolarHBondContact OG1-CB 3.39Å; T682-R685 WeakPolarHBondContact OG1-CG 3.48Å; T682-C686 PolarHBondContact O-N 3.17Å
683E80.3Confident85.4Confident104 Ų10444.1 Ų44.149%0.48622%0.22SC..Hα-helixtrans-49.9-43.8-179.5-170.4-160.8169.800112.3R685 C686 L687E683-R685 PolarHBondContact O-N 3.02Å; E683-C686 PolarHBondContact O-N 2.97Å; E683-L687 HydrophobicContact CG-CD1 4.37Å; E683-L687 WeakPolarHBondContact O-CG 3.37Å; E683-L687 PolarHBondContact O-N 3.4Å
684K81.9Confident85.4Confident165 Ų16544.1 Ų44.172%0.71722%0.22SC*.Hα-helixtrans-59.8-43.2178.4-67.6-174.4179.3-178.40112.7T682 L687 Q688T682-K684 PolarHBondContact O-N 3.39Å; T682-K684 VanDerWaalsContact O-N 3.13Å; K684-L687 PolarHBondContact O-N 2.94Å; K684-Q688 VanDerWaalsContact O-CG 3.23Å; K684-Q688 WeakPolarHBondContact O-CG 3.35Å; K684-Q688 PolarHBondContact O-N 3.2Å; K684-Q688 VanDerWaalsContact O-N 3.13Å
685R83.9Confident85.2Confident47 Ų4744.7 Ų44.718%0.17722%0.224CC..Hα-helixtrans-76.9-27.7179.4-66.8-176.3177.9139.8-17.7112D648 L677 E680 T682 E683 Q688 A689D648-R685 IonicContact OD1-CZ 2.83Å; D648-R685 IonicContact OD1-NE 3.59Å; D648-R685 IonicContact OD1-NH2 2.85Å; D648-R685 PolarHBondContact OD1-NH2 2.91Å; D648-R685 IonicContact OD2-NH2 2.7Å; L677-R685 HydrophobicContact CD2-CB 4.23Å; L677-R685 HydrophobicContact CD2-CG 4.39Å; E680-R685 IonicContact OE1-CZ 3.3Å; E680-R685 IonicContact OE1-NH1 3.76Å; E680-R685 PolarHBondContact OE1-NH1 3.24Å; E680-R685 IonicContact OE1-NH2 3.67Å; E680-R685 WeakPolarHBondContact OE2-CD 3.46Å; E680-R685 IonicContact OE2-CZ 2.76Å; E680-R685 IonicContact OE2-NE 2.73Å; E680-R685 PolarHBondContact OE2-NE 3.17Å; E680-R685 IonicContact OE2-NH1 2.63Å; E680-R685 PolarHBondContact OE2-NH1 2.83Å; E680-R685 IonicContact OE2-NH2 2.96Å; T682-R685 PolarHBondContact O-N 2.91Å; T682-R685 WeakPolarHBondContact OG1-CB 3.39Å; T682-R685 WeakPolarHBondContact OG1-CG 3.48Å; E683-R685 PolarHBondContact O-N 3.02Å; R685-Q688 CarbonylContact O-C 3.57Å; R685-Q688 WeakPolarHBondContact O-CB 3.37Å; R685-Q688 PolarHBondContact O-N 2.79Å; R685-A689 WeakPolarHBondContact O-CB 3.39Å; R685-A689 PolarHBondContact O-N 3.06Å
686C83.4Confident84.9Confident4 Ų442.8 Ų42.83%0.02722%0.215CC..Hα-helixtrans-68.7-39.2169.8-66.10000112.4T682 E683 Q688 A689 C690 C705 H709T682-C686 PolarHBondContact O-N 3.17Å; E683-C686 PolarHBondContact O-N 2.97Å; C686-Q688 VanDerWaalsContact C-N 3.29Å; C686-Q688 PolarHBondContact O-N 2.76Å; C686-A689 WeakPolarHBondContact O-CB 3.43Å; C686-A689 PolarHBondContact O-N 2.8Å; C686-C690 PolarHBondContact O-N 3.21Å; C686-C690 PolarHBondContact O-SG 3.19Å; C686-C705 PolarHBondContact O-SG 2.78Å; C686-H709 PolarHBondContact SG-CD2 2.8Å; C686-H709 PolarHBondContact SG-NE2 3.3Å
687L84.4Confident84.7Confident23 Ų2341 Ų4112%0.1222%0.216CC..Hα-helixtrans-64-33.2170.4-68.3170.6000112.2A466 I470 E683 K684 C690 L691 W706A466-L687 HydrophobicContact CB-CD1 4.09Å; I470-L687 HydrophobicContact CD1-CD2 3.94Å; E683-L687 HydrophobicContact CG-CD1 4.37Å; E683-L687 WeakPolarHBondContact O-CG 3.37Å; E683-L687 PolarHBondContact O-N 3.4Å; K684-L687 PolarHBondContact O-N 2.94Å; L687-C690 WeakPolarHBondContact O-CB 3.09Å; L687-C690 PolarHBondContact O-N 3.22Å; L687-L691 PolarHBondContact O-N 2.9Å; L687-W706 HydrophobicContact CD2-CZ3 4.35Å
688Q87.1Confident84.6Confident52 Ų5242.7 Ų42.724%0.24323%0.226CC..Hα-helixtrans-70.4-38.8171.9-66.2164.5-12.900112W650 L677 K684 R685 C686 C690 L691 C692W650-Q688 HydrophobicContact CD2-CB 4.3Å; W650-Q688 HydrophobicContact CH2-CB 4.3Å; W650-Q688 HydrophobicContact CH2-CG 4.25Å; W650-Q688 HydrophobicContact CZ2-CB 3.92Å; W650-Q688 HydrophobicContact CZ2-CG 3.51Å; L677-Q688 HydrophobicContact CD1-CB 4.3Å; K684-Q688 VanDerWaalsContact O-CG 3.23Å; K684-Q688 WeakPolarHBondContact O-CG 3.35Å; K684-Q688 PolarHBondContact O-N 3.2Å; K684-Q688 VanDerWaalsContact O-N 3.13Å; R685-Q688 CarbonylContact O-C 3.57Å; R685-Q688 WeakPolarHBondContact O-CB 3.37Å; R685-Q688 PolarHBondContact O-N 2.79Å; C686-Q688 VanDerWaalsContact C-N 3.29Å; C686-Q688 PolarHBondContact O-N 2.76Å; Q688-C690 VanDerWaalsContact C-N 3.29Å; Q688-C690 PolarHBondContact O-N 2.89Å; Q688-L691 WeakPolarHBondContact O-CB 3.38Å; Q688-L691 PolarHBondContact O-N 3.29Å; Q688-L691 VanDerWaalsContact O-N 3.13Å; Q688-C692 PolarHBondContact O-N 2.8Å
689A88.2Confident84.6Confident0 Ų042.1 Ų42.10%022%0.222CC..Hα-helixtrans-61.5-37.1172.300000112L677 V678 R685 C686 L691 C692 Y693L677-A689 HydrophobicContact CB-CB 3.84Å; V678-A689 HydrophobicContact CG2-CB 3.58Å; R685-A689 WeakPolarHBondContact O-CB 3.39Å; R685-A689 PolarHBondContact O-N 3.06Å; C686-A689 WeakPolarHBondContact O-CB 3.43Å; C686-A689 PolarHBondContact O-N 2.8Å; A689-L691 VanDerWaalsContact C-N 3.28Å; A689-L691 PolarHBondContact O-N 2.95Å; A689-C692 WeakPolarHBondContact O-CA 3.39Å; A689-C692 WeakPolarHBondContact O-CB 3.35Å; A689-C692 PolarHBondContact O-N 3.08Å; A689-Y693 HydrophobicContact CB-CE2 4.01Å; A689-Y693 WeakPolarHBondContact O-CD2 3.26Å; A689-Y693 PolarHBondContact O-N 2.87Å
690C87.3Confident84.7Confident2 Ų238 Ų381%0.01420%0.203CC..Hα-helixtrans-58.2-38.7173.2-660000112.1C686 L687 Q688 Y693 I694 L702 W706C686-C690 PolarHBondContact O-N 3.21Å; C686-C690 PolarHBondContact O-SG 3.19Å; L687-C690 WeakPolarHBondContact O-CB 3.09Å; L687-C690 PolarHBondContact O-N 3.22Å; Q688-C690 VanDerWaalsContact C-N 3.29Å; Q688-C690 PolarHBondContact O-N 2.89Å; C690-Y693 PolarHBondContact O-N 3.18Å; C690-I694 WeakPolarHBondContact O-CB 3.37Å; C690-I694 WeakPolarHBondContact O-CD1 3.37Å; C690-I694 VanDerWaalsContact O-CG1 3.22Å; C690-I694 WeakPolarHBondContact O-CG1 3.36Å; C690-I694 PolarHBondContact O-N 3.02Å; C690-L702 HydrophobicContact CB-CD1 3.57Å; C690-W706 HydrophobicContact CB-CZ3 4.46Å
691L88.3Confident84.9Confident11 Ų1136.4 Ų36.46%0.05819%0.194CC..Hα-helixtrans-63.6-41.1173.3-60.7172.8000111.5I470 F473 W650 L687 Q688 A689 Y693 I694 C695I470-L691 HydrophobicContact CB-CD2 4.37Å; I470-L691 HydrophobicContact CG1-CD2 3.74Å; I470-L691 HydrophobicContact CG1-CG 4.43Å; F473-L691 HydrophobicContact CB-CD2 4.07Å; F473-L691 HydrophobicContact CD1-CB 4.36Å; F473-L691 HydrophobicContact CD1-CD2 4.15Å; F473-L691 HydrophobicContact CD2-CD2 3.97Å; F473-L691 HydrophobicContact CE1-CB 4.38Å; F473-L691 HydrophobicContact CE2-CD2 4.44Å; F473-L691 HydrophobicContact CG-CD2 3.81Å; W650-L691 HydrophobicContact CH2-CD1 3.8Å; L687-L691 PolarHBondContact O-N 2.9Å; Q688-L691 WeakPolarHBondContact O-CB 3.38Å; Q688-L691 PolarHBondContact O-N 3.29Å; Q688-L691 VanDerWaalsContact O-N 3.13Å; A689-L691 VanDerWaalsContact C-N 3.28Å; A689-L691 PolarHBondContact O-N 2.95Å; L691-Y693 PolarHBondContact O-N 2.81Å; L691-I694 PolarHBondContact O-N 3.44Å; L691-C695 PolarHBondContact O-N 2.75Å; L691-C695 PolarHBondContact O-SG 2.82Å; L691-C695 VanDerWaalsContact O-SG 3.39Å
692C88.1Confident85.5Confident0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-61.9-39.9174.2-63.70000112.6Q688 A689 C695 S696Q688-C692 PolarHBondContact O-N 2.8Å; A689-C692 WeakPolarHBondContact O-CA 3.39Å; A689-C692 WeakPolarHBondContact O-CB 3.35Å; A689-C692 PolarHBondContact O-N 3.08Å; C692-C695 WeakPolarHBondContact O-CB 3.44Å; C692-C695 PolarHBondContact O-N 3.47Å; C692-S696 PolarHBondContact O-N 3.17Å
693Y89Confident85.7Confident7 Ų731.5 Ų31.53%0.02716%0.155CC..Hα-helixtrans-73.2-31.3176.4-56.9-45.9000113.3G674 N675 V678 A689 C690 L691 C695 S696 G697 N698 K701 C705G674-Y693 PolarHBondContact O-OH 2.7Å; N675-Y693 PolarHBondContact N-OH 3.29Å; N675-Y693 VanDerWaalsContact N-OH 3.17Å; N675-Y693 PolarHBondContact OD1-OH 2.95Å; V678-Y693 HydrophobicContact CG2-CE2 4.22Å; A689-Y693 HydrophobicContact CB-CE2 4.01Å; A689-Y693 WeakPolarHBondContact O-CD2 3.26Å; A689-Y693 PolarHBondContact O-N 2.87Å; C690-Y693 PolarHBondContact O-N 3.18Å; L691-Y693 PolarHBondContact O-N 2.81Å; Y693-C695 VanDerWaalsContact C-N 3.31Å; Y693-S696 WeakPolarHBondContact CA-OG 3.37Å; Y693-S696 PolarHBondContact O-N 2.76Å; Y693-S696 PolarHBondContact O-OG 2.73Å; Y693-G697 PolarHBondContact O-N 3.24Å; Y693-N698 PolarHBondContact O-N 3.32Å; Y693-N698 VanDerWaalsContact O-N 3.16Å; Y693-K701 HydrophobicContact CD1-CB 3.79Å; Y693-K701 HydrophobicContact CD1-CD 4.16Å; Y693-K701 HydrophobicContact CD2-CB 4.13Å; Y693-K701 HydrophobicContact CE1-CB 3.69Å; Y693-K701 HydrophobicContact CE1-CD 3.62Å; Y693-K701 HydrophobicContact CE1-CG 4.31Å; Y693-K701 HydrophobicContact CE2-CB 4.03Å; Y693-K701 HydrophobicContact CG-CB 4.03Å; Y693-C705 HydrophobicContact CD2-CB 4.33Å; Y693-C705 HydrophobicContact CE2-CB 3.86Å
694I88.1Confident86Confident2 Ų231 Ų311%0.0115%0.153CC..Hα-helixtrans-66.6-34.9170.7-70.6161.6000110.8I470 F473 L474 N477 C690 L691 L702 L728I470-I694 HydrophobicContact CG2-CD1 3.9Å; F473-I694 HydrophobicContact CB-CG2 4.04Å; L474-I694 HydrophobicContact CD2-CD1 4.35Å; L474-I694 HydrophobicContact CD2-CG1 4.22Å; L474-I694 HydrophobicContact CD2-CG2 3.96Å; L474-I694 HydrophobicContact CG-CD1 4.24Å; L474-I694 HydrophobicContact CG-CG2 4.29Å; N477-I694 PolarHBondContact ND2-O 3.18Å; C690-I694 WeakPolarHBondContact O-CB 3.37Å; C690-I694 WeakPolarHBondContact O-CD1 3.37Å; C690-I694 VanDerWaalsContact O-CG1 3.22Å; C690-I694 WeakPolarHBondContact O-CG1 3.36Å; C690-I694 PolarHBondContact O-N 3.02Å; L691-I694 PolarHBondContact O-N 3.44Å; I694-L702 HydrophobicContact CG1-CD1 4.36Å; I694-L702 HydrophobicContact CG1-CD2 4.14Å; I694-L728 HydrophobicContact CG1-CD2 4.41Å; I694-L728 HydrophobicContact CG2-CD1 4.44Å
695C85.2Confident86.1Confident12 Ų1223.3 Ų23.38%0.08112%0.12CC..Hα-helixtrans-70.7-37171.2-72.60000113.3F666 L691 C692 Y693F666-C695 HydrophobicContact CE1-CB 4.5Å; F666-C695 WeakPolarHBondContact CE1-O 3.32Å; F666-C695 HydrophobicContact CZ-CB 4.29Å; L691-C695 PolarHBondContact O-N 2.75Å; L691-C695 PolarHBondContact O-SG 2.82Å; L691-C695 VanDerWaalsContact O-SG 3.39Å; C692-C695 WeakPolarHBondContact O-CB 3.44Å; C692-C695 PolarHBondContact O-N 3.47Å; Y693-C695 VanDerWaalsContact C-N 3.31Å
696S84Confident86.2Confident21 Ų2121.5 Ų21.515%0.14711%0.113CC..Hα-helixtrans-78.6-20.717873.90000113.7A667 D671 C692 Y693 N698A667-S696 WeakPolarHBondContact O-CB 3.37Å; D671-S696 VanDerWaalsContact OD1-CB 3.22Å; D671-S696 WeakPolarHBondContact OD1-CB 3.27Å; D671-S696 PolarHBondContact OD1-OG 2.71Å; C692-S696 PolarHBondContact O-N 3.17Å; Y693-S696 WeakPolarHBondContact CA-OG 3.37Å; Y693-S696 PolarHBondContact O-N 2.76Å; Y693-S696 PolarHBondContact O-OG 2.73Å; S696-N698 VanDerWaalsContact C-N 3.29Å; S696-N698 WeakPolarHBondContact OG-CB 3.47Å; S696-N698 PolarHBondContact OG-N 2.83Å
697G84Confident86.1Confident26 Ų2623.1 Ų23.127%0.26813%0.127SC..THydrogen-bonded Turntrans76.313.7-170.900000113.5Y693 I699 I732Y693-G697 PolarHBondContact O-N 3.24Å; G697-I699 PolarHBondContact O-N 2.52Å; G697-I699 VanDerWaalsContact O-N 3.14Å; G697-I732 WeakPolarHBondContact O-CD1 3.4Å
698N85.9Confident85.8Confident37 Ų3727.7 Ų27.720%0.19815%0.151CC..  trans-81.892.9179.4-166.8-26.7000111.5D671 Y693 S696 E700 K701 L702D671-N698 WeakPolarHBondContact OD1-CB 3.39Å; D671-N698 PolarHBondContact OD2-ND2 3.32Å; Y693-N698 PolarHBondContact O-N 3.32Å; Y693-N698 VanDerWaalsContact O-N 3.16Å; S696-N698 VanDerWaalsContact C-N 3.29Å; S696-N698 WeakPolarHBondContact OG-CB 3.47Å; S696-N698 PolarHBondContact OG-N 2.83Å; N698-E700 VanDerWaalsContact C-N 3.28Å; N698-E700 PolarHBondContact O-N 3.02Å; N698-E700 PolarHBondContact OD1-N 2.96Å; N698-K701 WeakPolarHBondContact ND2-CD 3.38Å; N698-K701 PolarHBondContact OD1-N 3.36Å; N698-K701 VanDerWaalsContact OD1-N 3.14Å; N698-L702 WeakPolarHBondContact O-CB 3.24Å; N698-L702 PolarHBondContact O-N 3.36Å
699I86.4Confident84.9Confident16 Ų1628.7 Ų28.78%0.08216%0.155CC..Hα-helixtrans-61.4-36.1177.3-50.8177.6000111.5G697 L702 V703 V725 L728 R729 I732 V740 L747G697-I699 PolarHBondContact O-N 2.52Å; G697-I699 VanDerWaalsContact O-N 3.14Å; I699-L702 PolarHBondContact O-N 2.95Å; I699-V703 HydrophobicContact CG2-CG2 4.33Å; I699-V703 VanDerWaalsContact O-CG2 3.3Å; I699-V703 WeakPolarHBondContact O-CG2 3.33Å; I699-V703 PolarHBondContact O-N 2.89Å; I699-V725 HydrophobicContact CG2-CG1 3.76Å; I699-L728 HydrophobicContact CG1-CD2 4.17Å; I699-L728 HydrophobicContact CG1-CG 4.33Å; I699-R729 HydrophobicContact CD1-CB 4.02Å; I699-R729 HydrophobicContact CD1-CG 4.4Å; I699-I732 HydrophobicContact CD1-CD1 3.89Å; I699-I732 HydrophobicContact CG1-CD1 3.76Å; I699-V740 HydrophobicContact CD1-CG1 4.02Å; I699-L747 HydrophobicContact CG2-CD2 3.8Å
700E85.9Confident84.2Confident81 Ų8132.2 Ų32.238%0.37917%0.169SC..Hα-helixtrans-69-50.3-170.7-46.4-162.313500110.7N698 L702 V703 E704 S744N698-E700 VanDerWaalsContact C-N 3.28Å; N698-E700 PolarHBondContact O-N 3.02Å; N698-E700 PolarHBondContact OD1-N 2.96Å; E700-L702 VanDerWaalsContact C-N 3.31Å; E700-L702 PolarHBondContact O-N 2.81Å; E700-V703 PolarHBondContact O-N 3.24Å; E700-E704 WeakPolarHBondContact O-CG 3.45Å; E700-E704 PolarHBondContact O-N 3.35Å; E700-S744 WeakPolarHBondContact OE1-CA 2.99Å; E700-S744 VanDerWaalsContact OE1-CB 3.27Å; E700-S744 WeakPolarHBondContact OE1-CB 3.45Å; E700-S744 PolarHBondContact OE1-N 2.96Å
701K85.3Confident83Confident48 Ų4839.6 Ų39.621%0.20920%0.203CC..Hα-helixtrans-66.6-30.9175.3-68.8-176.3-178.4171.90113.4D671 N675 Y693 N698 C705D671-K701 WeakPolarHBondContact OD2-CD 3.05Å; D671-K701 WeakPolarHBondContact OD2-CE 3.45Å; D671-K701 IonicContact OD2-NZ 3.32Å; D671-K701 PolarHBondContact OD2-NZ 3.01Å; N675-K701 PolarHBondContact OD1-NZ 2.78Å; Y693-K701 HydrophobicContact CD1-CB 3.79Å; Y693-K701 HydrophobicContact CD1-CD 4.16Å; Y693-K701 HydrophobicContact CD2-CB 4.13Å; Y693-K701 HydrophobicContact CE1-CB 3.69Å; Y693-K701 HydrophobicContact CE1-CD 3.62Å; Y693-K701 HydrophobicContact CE1-CG 4.31Å; Y693-K701 HydrophobicContact CE2-CB 4.03Å; Y693-K701 HydrophobicContact CG-CB 4.03Å; N698-K701 WeakPolarHBondContact ND2-CD 3.38Å; N698-K701 PolarHBondContact OD1-N 3.36Å; N698-K701 VanDerWaalsContact OD1-N 3.14Å; K701-C705 WeakPolarHBondContact O-CB 3.46Å; K701-C705 PolarHBondContact O-N 2.88Å
702L87.1Confident81.9Confident4 Ų440 Ų402%0.02121%0.207CC..Hα-helixtrans-61.8-47.4172.3-179.766.2000110.7C690 I694 N698 I699 E700 C705 W706 L728C690-L702 HydrophobicContact CB-CD1 3.57Å; I694-L702 HydrophobicContact CG1-CD1 4.36Å; I694-L702 HydrophobicContact CG1-CD2 4.14Å; N698-L702 WeakPolarHBondContact O-CB 3.24Å; N698-L702 PolarHBondContact O-N 3.36Å; I699-L702 PolarHBondContact O-N 2.95Å; E700-L702 VanDerWaalsContact C-N 3.31Å; E700-L702 PolarHBondContact O-N 2.81Å; L702-C705 PolarHBondContact O-N 2.88Å; L702-W706 WeakPolarHBondContact O-CB 3.24Å; L702-W706 PolarHBondContact O-N 3.47Å; L702-L728 HydrophobicContact CD2-CD2 3.56Å
703V86.7Confident80.8Confident0 Ų043.7 Ų43.70%023%0.232CC..Hα-helixtrans-63.9-44.7178.6170.90000111.5I699 E700 W706 A707 L721 V725 V746 L747I699-V703 HydrophobicContact CG2-CG2 4.33Å; I699-V703 VanDerWaalsContact O-CG2 3.3Å; I699-V703 WeakPolarHBondContact O-CG2 3.33Å; I699-V703 PolarHBondContact O-N 2.89Å; E700-V703 PolarHBondContact O-N 3.24Å; V703-W706 PolarHBondContact O-N 2.84Å; V703-A707 VanDerWaalsContact O-CB 3.28Å; V703-A707 WeakPolarHBondContact O-CB 3.4Å; V703-A707 PolarHBondContact O-N 3.49Å; V703-L721 HydrophobicContact CG2-CD1 4.38Å; V703-V725 HydrophobicContact CG2-CG2 3.66Å; V703-V746 HydrophobicContact CG1-CB 4.49Å; V703-V746 HydrophobicContact CG1-CG1 3.98Å; V703-L747 HydrophobicContact CG1-CB 4.4Å; V703-L747 HydrophobicContact CG2-CB 4.33Å; V703-L747 HydrophobicContact CG2-CD1 4Å
704E85.3Confident80.4Confident92 Ų9245.4 Ų45.443%0.4325%0.245SC..Hα-helixtrans-61.7-47.2177.1-71.1171.6177.900111.8E700 W706 A707 L708E700-E704 WeakPolarHBondContact O-CG 3.45Å; E700-E704 PolarHBondContact O-N 3.35Å; E704-W706 VanDerWaalsContact C-N 3.34Å; E704-W706 PolarHBondContact O-N 2.84Å; E704-A707 PolarHBondContact O-N 3.16Å; E704-L708 WeakPolarHBondContact O-CG 3.4Å; E704-L708 PolarHBondContact O-N 3.45Å
705C85.3Confident80.3Confident5 Ų546.9 Ų46.93%0.03426%0.255CS..Hα-helixtrans-62.1-39.7177.5-176.40000112.6V678 C686 Y693 K701 L702V678-C705 HydrophobicContact CG2-CB 4.24Å; V678-C705 VanDerWaalsContact CG2-SG 3.54Å; C686-C705 PolarHBondContact O-SG 2.78Å; Y693-C705 HydrophobicContact CD2-CB 4.33Å; Y693-C705 HydrophobicContact CE2-CB 3.86Å; K701-C705 WeakPolarHBondContact O-CB 3.46Å; K701-C705 PolarHBondContact O-N 2.88Å; L702-C705 PolarHBondContact O-N 2.88Å
706W84.6Confident80.3Confident9 Ų948.9 Ų48.93%0.03427%0.265CS..Hα-helixtrans-68.5-43.9178.1-155.2-89.7000112.1I470 L687 C690 L702 V703 E704 L708 H709 R710 D720 L721 K724I470-W706 HydrophobicContact CD1-CH2 4.03Å; I470-W706 HydrophobicContact CD1-CZ3 3.88Å; L687-W706 HydrophobicContact CD2-CZ3 4.35Å; C690-W706 HydrophobicContact CB-CZ3 4.46Å; L702-W706 WeakPolarHBondContact O-CB 3.24Å; L702-W706 PolarHBondContact O-N 3.47Å; V703-W706 PolarHBondContact O-N 2.84Å; E704-W706 VanDerWaalsContact C-N 3.34Å; E704-W706 PolarHBondContact O-N 2.84Å; W706-L708 VanDerWaalsContact C-N 3.26Å; W706-L708 PolarHBondContact O-N 3.44Å; W706-H709 PolarHBondContact O-N 3.16Å; W706-R710 VanDerWaalsContact CZ2-NH1 3.34Å; W706-R710 PolarHBondContact O-N 2.93Å; W706-D720 WeakPolarHBondContact CZ2-OD2 3.38Å; W706-L721 HydrophobicContact CB-CD1 3.95Å; W706-L721 HydrophobicContact CD2-CD1 4.36Å; W706-L721 HydrophobicContact CG-CD1 3.76Å; W706-K724 HydrophobicContact CH2-CD 3.43Å; W706-K724 VanDerWaalsContact CH2-CD 3.43Å; W706-K724 HydrophobicContact CZ2-CD 3.69Å; W706-K724 HydrophobicContact CZ3-CD 4.22Å
707A81.6Confident80.3Confident38 Ų3848.9 Ų48.931%0.31427%0.268SS..Hα-helixtrans-67.2-23.7-17900000113.6V703 E704V703-A707 VanDerWaalsContact O-CB 3.28Å; V703-A707 WeakPolarHBondContact O-CB 3.4Å; V703-A707 PolarHBondContact O-N 3.49Å; E704-A707 PolarHBondContact O-N 3.16Å
708L78.4Confident80.5Confident118 Ų11847.8 Ų47.862%0.61826%0.256SS*.Hα-helixtrans-72.8-27.7176.2-78.2165.5000114V678 E704 W706V678-L708 HydrophobicContact CG1-CD1 4.39Å; E704-L708 WeakPolarHBondContact O-CG 3.4Å; E704-L708 PolarHBondContact O-N 3.45Å; W706-L708 VanDerWaalsContact C-N 3.26Å; W706-L708 PolarHBondContact O-N 3.44Å
709H68.9Low80.6Confident74 Ų7446 Ų4634%0.34325%0.246SC..Hα-helixtrans-127.3-5.4-169.4-69.3-78.3000115.7G681 C686 W706G681-H709 PolarHBondContact O-CE1 3.36Å; G681-H709 VanDerWaalsContact O-CE1 3.27Å; C686-H709 PolarHBondContact SG-CD2 2.8Å; C686-H709 PolarHBondContact SG-NE2 3.3Å; W706-H709 PolarHBondContact O-N 3.16Å
710R72.4Confident80.7Confident73 Ų7346 Ų4628%0.27525%0.246SC..SBendtrans-127.3139.8175.5-75.7-175.7165-152.5-2.9112.1W706 C712 D720W706-R710 VanDerWaalsContact CZ2-NH1 3.34Å; W706-R710 PolarHBondContact O-N 2.93Å; R710-C712 VanDerWaalsContact C-N 3.29Å; R710-C712 PolarHBondContact O-N 3.36Å; R710-C712 PolarHBondContact O-SG 3.02Å; R710-C712 VanDerWaalsContact O-SG 3.38Å; R710-D720 IonicContact NH1-OD2 3.49Å; R710-D720 PolarHBondContact NH1-OD2 2.8Å; R710-D720 VanDerWaalsContact NH1-OD2 3.08Å
711E62.1Low80.9Confident157 Ų15742.2 Ų42.273%0.73423%0.229SC*.  trans-68.779.1179.2-67.7-174.6-175.700112.9S713 S714E711-S713 PolarHBondContact O-N 3.06Å; E711-S714 PolarHBondContact O-N 3.05Å; E711-S714 PolarHBondContact O-OG 2.68Å
712C65.8Low81.1Confident20 Ų2040.1 Ų40.114%0.13522%0.22CC..THydrogen-bonded Turntrans-66.21.1170.4-58.30000113.2R710 S714 L718R710-C712 VanDerWaalsContact C-N 3.29Å; R710-C712 PolarHBondContact O-N 3.36Å; R710-C712 PolarHBondContact O-SG 3.02Å; R710-C712 VanDerWaalsContact O-SG 3.38Å; C712-S714 VanDerWaalsContact C-N 3.34Å; C712-L718 HydrophobicContact CB-CD1 4.49Å
713S64.7Low81.3Confident77 Ų7740 Ų4054%0.53822%0.219SC..THydrogen-bonded Turntrans-72.3-24170.1-54.10000113.1E711E711-S713 PolarHBondContact O-N 3.06Å
714S81.8Confident81.4Confident43 Ų4340.2 Ų40.230%0.30122%0.22SC..SBendtrans-87140.8178.965.40000111.3E711 C712 L716 G717 L718E711-S714 PolarHBondContact O-N 3.05Å; E711-S714 PolarHBondContact O-OG 2.68Å; C712-S714 VanDerWaalsContact C-N 3.34Å; S714-L716 VanDerWaalsContact C-N 3.32Å; S714-L716 PolarHBondContact O-N 3.38Å; S714-G717 PolarHBondContact O-N 2.92Å; S714-G717 WeakPolarHBondContact OG-CA 3.31Å; S714-G717 PolarHBondContact OG-N 2.81Å; S714-G717 VanDerWaalsContact OG-N 3.1Å; S714-L718 WeakPolarHBondContact O-CB 3.43Å; S714-L718 PolarHBondContact O-N 3.37Å
715P84.2Confident81.6Confident34 Ų3436 Ų3622%0.22120%0.201CC..Hα-helixtrans-55.4-44.8177.8-26.834.5000112.8E432 F435 L718 E719 I757E432-P715 HydrophobicContact CG-CB 4.44Å; E432-P715 HydrophobicContact CG-CG 4.21Å; F435-P715 HydrophobicContact CD2-CB 3.77Å; F435-P715 VanDerWaalsContact CD2-O 3.32Å; F435-P715 WeakPolarHBondContact CD2-O 3.46Å; F435-P715 HydrophobicContact CE2-CB 4.14Å; F435-P715 VanDerWaalsContact CE2-O 3.32Å; F435-P715 WeakPolarHBondContact CE2-O 3.37Å; F435-P715 HydrophobicContact CG-CB 4.16Å; P715-L718 PolarHBondContact O-N 3.03Å; P715-E719 WeakPolarHBondContact O-CB 3.24Å; P715-E719 PolarHBondContact O-N 3.48Å; P715-I757 HydrophobicContact CB-CD1 4.34Å; P715-I757 HydrophobicContact CB-CG2 4.4Å; P715-I757 HydrophobicContact CG-CD1 4.34Å
716L85.7Confident81.8Confident54 Ų5436.9 Ų36.928%0.28321%0.205SC..Hα-helixtrans-71.1-31.8179.8-63.9174.6000113.2E434 F435 S714 D720E434-L716 HydrophobicContact CB-CD2 4.35Å; E434-L716 HydrophobicContact CG-CD2 4.1Å; F435-L716 HydrophobicContact CB-CD2 4.14Å; S714-L716 VanDerWaalsContact C-N 3.32Å; S714-L716 PolarHBondContact O-N 3.38Å; L716-D720 WeakPolarHBondContact O-CB 3.42Å; L716-D720 PolarHBondContact O-N 3.07Å
717G84.8Confident82.1Confident20 Ų2036.5 Ų36.521%0.20620%0.203CC..Hα-helixtrans-73.1-31.8173.400000112.9S714 L721S714-G717 PolarHBondContact O-N 2.92Å; S714-G717 WeakPolarHBondContact OG-CA 3.31Å; S714-G717 PolarHBondContact OG-N 2.81Å; S714-G717 VanDerWaalsContact OG-N 3.1Å; G717-L721 PolarHBondContact O-N 2.88Å
718L87.3Confident82.4Confident4 Ų434.7 Ų34.72%0.02119%0.188CC..Hα-helixtrans-73.8-42.8174.1-171.861.3000111.8C712 S714 P715 D720 L721 V722 K750 C753 Y754 I757C712-L718 HydrophobicContact CB-CD1 4.49Å; S714-L718 WeakPolarHBondContact O-CB 3.43Å; S714-L718 PolarHBondContact O-N 3.37Å; P715-L718 PolarHBondContact O-N 3.03Å; L718-D720 VanDerWaalsContact C-N 3.27Å; L718-D720 PolarHBondContact O-N 3.21Å; L718-L721 PolarHBondContact O-N 3.1Å; L718-V722 WeakPolarHBondContact O-CG2 3.24Å; L718-V722 PolarHBondContact O-N 2.99Å; L718-K750 HydrophobicContact CD1-CB 4.02Å; L718-C753 HydrophobicContact CD2-CB 4.11Å; L718-Y754 HydrophobicContact CD2-CD2 4.34Å; L718-Y754 HydrophobicContact CG-CD2 4.15Å; L718-I757 HydrophobicContact CD2-CD1 4.04Å
719E89.4Confident82.8Confident0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-53.9-45.4168.1179.972.8-145.600110.5F435 R438 S439 P715 L721 V722 E723 Y754F435-E719 HydrophobicContact CD2-CB 3.96Å; F435-E719 HydrophobicContact CE2-CB 4.01Å; R438-E719 HydrophobicContact CB-CG 3.72Å; S439-E719 WeakPolarHBondContact CA-OE1 3.48Å; S439-E719 WeakPolarHBondContact CB-OE2 3.42Å; S439-E719 PolarHBondContact N-OE1 3.03Å; P715-E719 WeakPolarHBondContact O-CB 3.24Å; P715-E719 PolarHBondContact O-N 3.48Å; E719-L721 VanDerWaalsContact C-N 3.29Å; E719-L721 PolarHBondContact O-N 2.9Å; E719-V722 PolarHBondContact O-N 3.41Å; E719-V722 VanDerWaalsContact O-N 3.12Å; E719-E723 HydrophobicContact CG-CG 4.2Å; E719-E723 WeakPolarHBondContact O-CB 3.23Å; E719-E723 VanDerWaalsContact O-CG 3.31Å; E719-E723 WeakPolarHBondContact O-CG 3.46Å; E719-E723 PolarHBondContact O-N 3.08Å; E719-Y754 HydrophobicContact CB-CE2 4.31Å; E719-Y754 PolarHBondContact OE1-OH 3.09Å; E719-Y754 WeakPolarHBondContact OE2-CE2 3.34Å; E719-Y754 VanDerWaalsContact OE2-CZ 3.27Å; E719-Y754 PolarHBondContact OE2-OH 2.9Å
720D88.6Confident83.7Confident14 Ų1430.9 Ų30.98%0.07516%0.164CC..Hα-helixtrans-62.5-32.5-178.9-162.460.9000114.2R438 W706 R710 L716 L718 K724R438-D720 IonicContact NH2-OD1 2.76Å; R438-D720 PolarHBondContact NH2-OD1 3.28Å; R438-D720 VanDerWaalsContact NH2-OD1 3.17Å; W706-D720 WeakPolarHBondContact CZ2-OD2 3.38Å; R710-D720 IonicContact NH1-OD2 3.49Å; R710-D720 PolarHBondContact NH1-OD2 2.8Å; R710-D720 VanDerWaalsContact NH1-OD2 3.08Å; L716-D720 WeakPolarHBondContact O-CB 3.42Å; L716-D720 PolarHBondContact O-N 3.07Å; L718-D720 VanDerWaalsContact C-N 3.27Å; L718-D720 PolarHBondContact O-N 3.21Å; D720-K724 WeakPolarHBondContact O-CD 3.45Å; D720-K724 WeakPolarHBondContact O-CG 3.47Å; D720-K724 IonicContact OD1-NZ 3.78Å; D720-K724 PolarHBondContact OD1-NZ 2.8Å; D720-K724 IonicContact OD2-NZ 2.81Å; D720-K724 PolarHBondContact OD2-NZ 3.15Å
721L89.4Confident84.3Confident3 Ų327.4 Ų27.42%0.01615%0.152CC..Hα-helixtrans-72.7-47.5170.4173.359.7000111.3V703 W706 G717 L718 E719 K724 V725V703-L721 HydrophobicContact CG2-CD1 4.38Å; W706-L721 HydrophobicContact CB-CD1 3.95Å; W706-L721 HydrophobicContact CD2-CD1 4.36Å; W706-L721 HydrophobicContact CG-CD1 3.76Å; G717-L721 PolarHBondContact O-N 2.88Å; L718-L721 PolarHBondContact O-N 3.1Å; E719-L721 VanDerWaalsContact C-N 3.29Å; E719-L721 PolarHBondContact O-N 2.9Å; L721-K724 PolarHBondContact O-N 3.09Å; L721-V725 HydrophobicContact CD1-CG2 3.62Å; L721-V725 HydrophobicContact CG-CG2 4.23Å; L721-V725 WeakPolarHBondContact O-CB 3.47Å; L721-V725 WeakPolarHBondContact O-CG2 3.37Å; L721-V725 PolarHBondContact O-N 2.96Å
722V89.9Confident85.3Confident4 Ų420.6 Ų20.62%0.02412%0.12CC..Hα-helixtrans-64.8-41.7-176.6172.30000111.7L442 L718 E719 K724 V725 M726 L751 Y754 Y770L442-V722 HydrophobicContact CD2-CG1 4.12Å; L718-V722 WeakPolarHBondContact O-CG2 3.24Å; L718-V722 PolarHBondContact O-N 2.99Å; E719-V722 PolarHBondContact O-N 3.41Å; E719-V722 VanDerWaalsContact O-N 3.12Å; V722-K724 VanDerWaalsContact C-N 3.34Å; V722-K724 PolarHBondContact O-N 2.79Å; V722-V725 PolarHBondContact O-N 3.34Å; V722-M726 HydrophobicContact CG1-CG 3.93Å; V722-M726 VanDerWaalsContact O-CB 3.27Å; V722-M726 WeakPolarHBondContact O-CB 3.5Å; V722-M726 WeakPolarHBondContact O-CG 3.2Å; V722-M726 PolarHBondContact O-N 2.78Å; V722-L751 HydrophobicContact CG1-CD2 4.37Å; V722-L751 HydrophobicContact CG2-CD2 4.18Å; V722-Y754 HydrophobicContact CB-CD2 4.43Å; V722-Y754 HydrophobicContact CB-CE2 4.36Å; V722-Y754 HydrophobicContact CG1-CD1 4.1Å; V722-Y754 HydrophobicContact CG1-CE1 3.84Å; V722-Y754 HydrophobicContact CG1-CE2 4.46Å; V722-Y754 HydrophobicContact CG2-CD1 4.21Å; V722-Y754 HydrophobicContact CG2-CD2 3.98Å; V722-Y754 HydrophobicContact CG2-CE2 4.4Å; V722-Y754 HydrophobicContact CG2-CG 3.88Å; V722-Y770 HydrophobicContact CG1-CD1 4.24Å; V722-Y770 HydrophobicContact CG1-CE1 3.92Å
723E90.7Very high86.2Confident0 Ų020.4 Ų20.40%012%0.117CC..Hα-helixtrans-53.7-49.5173.4-74.2179.5179.900111.5R438 L442 Y454 K458 W471 E719 M727R438-E723 IonicContact CZ-OE1 3.21Å; R438-E723 IonicContact CZ-OE2 3.95Å; R438-E723 IonicContact NE-OE1 3.83Å; R438-E723 PolarHBondContact NE-OE1 2.88Å; R438-E723 IonicContact NE-OE2 2.9Å; R438-E723 IonicContact NH2-OE1 3.74Å; R438-E723 PolarHBondContact NH2-OE1 3.21Å; R438-E723 IonicContact NH2-OE2 2.98Å; R438-E723 PolarHBondContact NH2-OE2 3.38Å; L442-E723 HydrophobicContact CD1-CB 4.45Å; L442-E723 HydrophobicContact CD1-CG 4.27Å; L442-E723 HydrophobicContact CD2-CB 4.45Å; L442-E723 HydrophobicContact CD2-CG 3.91Å; L442-E723 HydrophobicContact CG-CG 4.45Å; Y454-E723 VanDerWaalsContact OH-CD 3.28Å; Y454-E723 WeakPolarHBondContact OH-CG 3.46Å; Y454-E723 PolarHBondContact OH-OE1 3.36Å; K458-E723 WeakPolarHBondContact CE-OE2 3.24Å; K458-E723 IonicContact NZ-OE1 3.08Å; K458-E723 PolarHBondContact NZ-OE1 3.24Å; K458-E723 IonicContact NZ-OE2 2.67Å; K458-E723 PolarHBondContact NZ-OE2 3.3Å; W471-E723 HydrophobicContact CH2-CB 4.04Å; W471-E723 HydrophobicContact CZ2-CB 4.3Å; E719-E723 HydrophobicContact CG-CG 4.2Å; E719-E723 WeakPolarHBondContact O-CB 3.23Å; E719-E723 VanDerWaalsContact O-CG 3.31Å; E719-E723 WeakPolarHBondContact O-CG 3.46Å; E719-E723 PolarHBondContact O-N 3.08Å; E723-M727 WeakPolarHBondContact O-CG 3.43Å; E723-M727 PolarHBondContact O-N 2.94Å
724K89.2Confident87Confident5 Ų522.5 Ų22.52%0.02211%0.113CC..Hα-helixtrans-71.2-41.9-177.2-67.9175.4173.985.50112E467 I470 W471 L474 W706 D720 L721 V722 L728E467-K724 IonicContact OE1-NZ 3.94Å; E467-K724 PolarHBondContact OE1-NZ 2.82Å; I470-K724 HydrophobicContact CG2-CD 3.96Å; W471-K724 HydrophobicContact CH2-CG 3.92Å; W471-K724 HydrophobicContact CZ2-CD 4.46Å; W471-K724 HydrophobicContact CZ2-CG 3.64Å; L474-K724 HydrophobicContact CD1-CB 4.14Å; L474-K724 HydrophobicContact CD1-CG 4.12Å; W706-K724 HydrophobicContact CH2-CD 3.43Å; W706-K724 VanDerWaalsContact CH2-CD 3.43Å; W706-K724 HydrophobicContact CZ2-CD 3.69Å; W706-K724 HydrophobicContact CZ3-CD 4.22Å; D720-K724 WeakPolarHBondContact O-CD 3.45Å; D720-K724 WeakPolarHBondContact O-CG 3.47Å; D720-K724 IonicContact OD1-NZ 3.78Å; D720-K724 PolarHBondContact OD1-NZ 2.8Å; D720-K724 IonicContact OD2-NZ 2.81Å; D720-K724 PolarHBondContact OD2-NZ 3.15Å; L721-K724 PolarHBondContact O-N 3.09Å; V722-K724 VanDerWaalsContact C-N 3.34Å; V722-K724 PolarHBondContact O-N 2.79Å; K724-L728 PolarHBondContact O-N 2.85Å
725V89.9Confident86.7Confident4 Ų426.4 Ų26.42%0.02413%0.13CC..Hα-helixtrans-65.4-43.1177.4165.70000112.1I699 V703 L721 V722 L728 R729 L747I699-V725 HydrophobicContact CG2-CG1 3.76Å; V703-V725 HydrophobicContact CG2-CG2 3.66Å; L721-V725 HydrophobicContact CD1-CG2 3.62Å; L721-V725 HydrophobicContact CG-CG2 4.23Å; L721-V725 WeakPolarHBondContact O-CB 3.47Å; L721-V725 WeakPolarHBondContact O-CG2 3.37Å; L721-V725 PolarHBondContact O-N 2.96Å; V722-V725 PolarHBondContact O-N 3.34Å; V725-L728 PolarHBondContact O-N 2.93Å; V725-R729 WeakPolarHBondContact O-CB 3.34Å; V725-R729 PolarHBondContact O-N 3.23Å; V725-L747 HydrophobicContact CG1-CD1 3.85Å; V725-L747 HydrophobicContact CG1-CD2 4.07Å
726M89.1Confident86.3Confident24 Ų2433.7 Ų33.712%0.11815%0.153CC..Hα-helixtrans-70.3-33.5-178.8-69.1-66.5-67.300112.3L446 V722 K730 Y770L446-M726 HydrophobicContact CD1-CB 4.32Å; L446-M726 HydrophobicContact CD1-CE 3.82Å; L446-M726 HydrophobicContact CD2-CB 4.29Å; V722-M726 HydrophobicContact CG1-CG 3.93Å; V722-M726 VanDerWaalsContact O-CB 3.27Å; V722-M726 WeakPolarHBondContact O-CB 3.5Å; V722-M726 WeakPolarHBondContact O-CG 3.2Å; V722-M726 PolarHBondContact O-N 2.78Å; M726-K730 PolarHBondContact O-N 2.77Å; M726-Y770 HydrophobicContact CE-CD1 4.33Å; M726-Y770 HydrophobicContact CE-CE1 3.93Å; M726-Y770 HydrophobicContact CG-CE1 4.04Å; M726-Y770 HydrophobicContact SD-CD1 4.42Å; M726-Y770 HydrophobicContact SD-CE1 4.25Å
727M90.5Very high85.7Confident0 Ų038.4 Ų38.40%018%0.178CC..Hα-helixtrans-67.8-46.1171.4-69-70.1154.100111.5L442 A445 L446 F451 Y454 W471 F478 E723 R729 K730 S731L442-M727 HydrophobicContact CD1-CE 3.74Å; A445-M727 HydrophobicContact CB-CE 4.21Å; L446-M727 HydrophobicContact CD2-CE 4.29Å; F451-M727 HydrophobicContact CB-SD 4.18Å; F451-M727 HydrophobicContact CD1-CE 4.1Å; F451-M727 HydrophobicContact CD1-SD 3.76Å; F451-M727 HydrophobicContact CG-SD 4.38Å; Y454-M727 HydrophobicContact CD1-CE 3.56Å; Y454-M727 HydrophobicContact CD1-CG 4.49Å; Y454-M727 HydrophobicContact CD1-SD 4.25Å; Y454-M727 HydrophobicContact CE1-CE 3.94Å; Y454-M727 HydrophobicContact CG-CE 3.99Å; W471-M727 HydrophobicContact CZ3-CG 4.22Å; F478-M727 HydrophobicContact CE2-CB 4.43Å; F478-M727 HydrophobicContact CE2-SD 4.49Å; F478-M727 VanDerWaalsContact CZ-O 3.25Å; F478-M727 WeakPolarHBondContact CZ-O 3.15Å; F478-M727 HydrophobicContact CZ-SD 4.39Å; E723-M727 WeakPolarHBondContact O-CG 3.43Å; E723-M727 PolarHBondContact O-N 2.94Å; M727-R729 VanDerWaalsContact C-N 3.33Å; M727-R729 PolarHBondContact O-N 2.82Å; M727-K730 PolarHBondContact O-N 2.77Å; M727-S731 PolarHBondContact O-N 2.95Å
728L88.7Confident84.9Confident0 Ų041.2 Ų41.20%020%0.195CC..Hα-helixtrans-59.6-44.5174.8-176.360.5000111.3L474 I694 I699 L702 K724 V725 K730 S731 I732L474-L728 HydrophobicContact CD2-CB 3.9Å; L474-L728 HydrophobicContact CD2-CD1 4.23Å; I694-L728 HydrophobicContact CG1-CD2 4.41Å; I694-L728 HydrophobicContact CG2-CD1 4.44Å; I699-L728 HydrophobicContact CG1-CD2 4.17Å; I699-L728 HydrophobicContact CG1-CG 4.33Å; L702-L728 HydrophobicContact CD2-CD2 3.56Å; K724-L728 PolarHBondContact O-N 2.85Å; V725-L728 PolarHBondContact O-N 2.93Å; L728-K730 PolarHBondContact O-N 2.87Å; L728-S731 PolarHBondContact O-N 3.05Å; L728-S731 PolarHBondContact O-OG 2.81Å; L728-I732 HydrophobicContact CD1-CD1 4.23Å; L728-I732 HydrophobicContact CG-CD1 3.94Å; L728-I732 WeakPolarHBondContact O-CD1 3.45Å; L728-I732 WeakPolarHBondContact O-CG1 3.47Å; L728-I732 PolarHBondContact O-N 3.08Å; L728-I732 VanDerWaalsContact O-N 3.07Å
729R87Confident83.8Confident52 Ų5248.1 Ų48.120%0.19623%0.227CC..Hα-helixtrans-54.2-51.6173.8-177.1-179.9165-179.8-4.5111.3I699 V725 M727 S731 I732 E733 V740I699-R729 HydrophobicContact CD1-CB 4.02Å; I699-R729 HydrophobicContact CD1-CG 4.4Å; V725-R729 WeakPolarHBondContact O-CB 3.34Å; V725-R729 PolarHBondContact O-N 3.23Å; M727-R729 VanDerWaalsContact C-N 3.33Å; M727-R729 PolarHBondContact O-N 2.82Å; R729-S731 VanDerWaalsContact C-N 3.32Å; R729-S731 PolarHBondContact O-N 2.99Å; R729-I732 PolarHBondContact O-N 3.21Å; R729-E733 HydrophobicContact CG-CG 4.41Å; R729-E733 IonicContact CZ-OE1 3.01Å; R729-E733 VanDerWaalsContact CZ-OE1 3.29Å; R729-E733 IonicContact NE-OE1 3.68Å; R729-E733 PolarHBondContact NE-OE1 3.1Å; R729-E733 IonicContact NH2-OE1 2.73Å; R729-E733 PolarHBondContact NH2-OE1 2.93Å; R729-E733 WeakPolarHBondContact O-CG 3.5Å; R729-E733 PolarHBondContact O-N 2.99Å; R729-V740 HydrophobicContact CG-CB 4.19Å; R729-V740 PolarHBondContact NE-O 3.01Å
730K86.8Confident82.9Confident60 Ų6049.6 Ų49.626%0.26124%0.236SC..Hα-helixtrans-65.5-30.4-179.7-79.6-71.3170.1-152.80113.7L446 F451 F478 M726 M727 L728 E733 R734L446-K730 HydrophobicContact CD2-CG 3.96Å; F451-K730 HydrophobicContact CE1-CB 4Å; F451-K730 HydrophobicContact CE1-CD 4.44Å; F451-K730 HydrophobicContact CE1-CG 3.96Å; F451-K730 HydrophobicContact CE2-CB 4.48Å; F451-K730 HydrophobicContact CZ-CB 3.97Å; F451-K730 HydrophobicContact CZ-CD 4.01Å; F451-K730 HydrophobicContact CZ-CG 3.98Å; F478-K730 HydrophobicContact CE1-CB 4.35Å; F478-K730 HydrophobicContact CZ-CB 4.36Å; M726-K730 PolarHBondContact O-N 2.77Å; M727-K730 PolarHBondContact O-N 2.77Å; L728-K730 PolarHBondContact O-N 2.87Å; K730-E733 WeakPolarHBondContact CD-OE2 3.33Å; K730-E733 VanDerWaalsContact CE-OE2 3.26Å; K730-E733 WeakPolarHBondContact CE-OE2 3.47Å; K730-E733 IonicContact NZ-OE2 2.67Å; K730-E733 PolarHBondContact NZ-OE2 3.15Å; K730-R734 PolarHBondContact O-N 3.4Å; K730-R734 VanDerWaalsContact O-N 3.1Å
731S85.3Confident81.7Confident1 Ų151.4 Ų51.41%0.00725%0.253CS..Hα-helixtrans-67.8-40172.170.20000112.4M727 L728 R729 R734 L735M727-S731 PolarHBondContact O-N 2.95Å; L728-S731 PolarHBondContact O-N 3.05Å; L728-S731 PolarHBondContact O-OG 2.81Å; R729-S731 VanDerWaalsContact C-N 3.32Å; R729-S731 PolarHBondContact O-N 2.99Å; S731-R734 PolarHBondContact O-N 2.63Å; S731-L735 WeakPolarHBondContact O-CG 3.4Å; S731-L735 PolarHBondContact O-N 2.92Å
732I83Confident80.6Confident14 Ų1452.8 Ų52.87%0.07226%0.261CS..Hα-helixtrans-69-39176.5-60.7157.3000111.1G697 I699 L728 R729 R734 L735 R736 V740G697-I732 WeakPolarHBondContact O-CD1 3.4Å; I699-I732 HydrophobicContact CD1-CD1 3.89Å; I699-I732 HydrophobicContact CG1-CD1 3.76Å; L728-I732 HydrophobicContact CD1-CD1 4.23Å; L728-I732 HydrophobicContact CG-CD1 3.94Å; L728-I732 WeakPolarHBondContact O-CD1 3.45Å; L728-I732 WeakPolarHBondContact O-CG1 3.47Å; L728-I732 PolarHBondContact O-N 3.08Å; L728-I732 VanDerWaalsContact O-N 3.07Å; R729-I732 PolarHBondContact O-N 3.21Å; I732-R734 VanDerWaalsContact C-N 3.32Å; I732-R734 PolarHBondContact O-N 3.03Å; I732-L735 PolarHBondContact O-N 3.42Å; I732-L735 VanDerWaalsContact O-N 3.14Å; I732-R736 HydrophobicContact CG2-CG 4.33Å; I732-R736 WeakPolarHBondContact O-CB 3.33Å; I732-R736 PolarHBondContact O-N 3.05Å; I732-V740 HydrophobicContact CB-CG2 4.11Å; I732-V740 HydrophobicContact CG2-CG2 3.6Å
733E83.5Confident79.3Confident16 Ų1660.3 Ų60.38%0.07530%0.296CS..Hα-helixtrans-62-38.2175-70179.7166.800111.7R729 K730 N737 V740R729-E733 HydrophobicContact CG-CG 4.41Å; R729-E733 IonicContact CZ-OE1 3.01Å; R729-E733 VanDerWaalsContact CZ-OE1 3.29Å; R729-E733 IonicContact NE-OE1 3.68Å; R729-E733 PolarHBondContact NE-OE1 3.1Å; R729-E733 IonicContact NH2-OE1 2.73Å; R729-E733 PolarHBondContact NH2-OE1 2.93Å; R729-E733 WeakPolarHBondContact O-CG 3.5Å; R729-E733 PolarHBondContact O-N 2.99Å; K730-E733 WeakPolarHBondContact CD-OE2 3.33Å; K730-E733 VanDerWaalsContact CE-OE2 3.26Å; K730-E733 WeakPolarHBondContact CE-OE2 3.47Å; K730-E733 IonicContact NZ-OE2 2.67Å; K730-E733 PolarHBondContact NZ-OE2 3.15Å; E733-N737 WeakPolarHBondContact O-CA 3.27Å; E733-N737 PolarHBondContact O-N 3.16Å; E733-V740 HydrophobicContact CG-CB 4.14Å; E733-V740 HydrophobicContact CG-CG2 3.75Å; E733-V740 PolarHBondContact OE1-N 2.96Å
734R82.1Confident78.5Confident120 Ų12060.5 Ų60.545%0.45330%0.298SS..Hα-helixtrans-67.2-36.2171.2176.1175.5165.7-162.9-12.2113F478 D480 K730 S731 I732F478-R734 PolarHBondContact O-NH1 2.89Å; F478-R734 PolarHBondContact O-NH2 3.39Å; D480-R734 IonicContact OD1-NH2 4Å; K730-R734 PolarHBondContact O-N 3.4Å; K730-R734 VanDerWaalsContact O-N 3.1Å; S731-R734 PolarHBondContact O-N 2.63Å; I732-R734 VanDerWaalsContact C-N 3.32Å; I732-R734 PolarHBondContact O-N 3.03Å
735L75.4Confident78.1Confident126 Ų12664.2 Ų64.266%0.6632%0.322SS*.Hα-helixtrans-74.3-27.7178.4-74165.8000113.2S731 I732S731-L735 WeakPolarHBondContact O-CG 3.4Å; S731-L735 PolarHBondContact O-N 2.92Å; I732-L735 PolarHBondContact O-N 3.42Å; I732-L735 VanDerWaalsContact O-N 3.14Å
736R76.5Confident77.7Confident187 Ų18766 Ų6671%0.70633%0.333SS*.Hα-helixtrans-106.3-7.2-177-65.7-173.5176.5-175.20.2114.8I732 S738I732-R736 HydrophobicContact CG2-CG 4.33Å; I732-R736 WeakPolarHBondContact O-CB 3.33Å; I732-R736 PolarHBondContact O-N 3.05Å; R736-S738 PolarHBondContact O-N 3.39Å; R736-S738 VanDerWaalsContact O-N 3.16Å
737N71.9Confident77.5Confident152 Ų15265.5 Ų65.581%0.81333%0.331SS*.THydrogen-bonded Turntrans49.733.4-173.5-70.3-32.4000113.7E733E733-N737 WeakPolarHBondContact O-CA 3.27Å; E733-N737 PolarHBondContact O-N 3.16Å
738S69.4Low77.3Confident79 Ų7965.7 Ų65.755%0.55233%0.332SS*.SBendtrans-154.8147.5-175.6-171.80000109.9R736R736-S738 PolarHBondContact O-N 3.39Å; R736-S738 VanDerWaalsContact O-N 3.16Å
739E64.5Low77.1Confident150 Ų15067.8 Ų67.870%0.70134%0.342SS*.  trans-69.3136.9-178.5-64.5-159.2138.300112.2A741E739-A741 PolarHBondContact O-N 2.97Å
740V69.5Low77.1Confident31 Ų3167.6 Ų67.619%0.18834%0.343CS..  trans-88.1102.5178176.10000108.5I699 R729 I732 E733 V742I699-V740 HydrophobicContact CD1-CG1 4.02Å; R729-V740 HydrophobicContact CG-CB 4.19Å; R729-V740 PolarHBondContact NE-O 3.01Å; I732-V740 HydrophobicContact CB-CG2 4.11Å; I732-V740 HydrophobicContact CG2-CG2 3.6Å; E733-V740 HydrophobicContact CG-CB 4.14Å; E733-V740 HydrophobicContact CG-CG2 3.75Å; E733-V740 PolarHBondContact OE1-N 2.96Å; V740-V742 PolarHBondContact O-N 2.7Å
741A63.5Low77.2Confident51 Ų5165 Ų6542%0.42133%0.332SS..  trans-61132.5173.900000111.1E739 Q743E739-A741 PolarHBondContact O-N 2.97Å; A741-Q743 HydrophobicContact CB-CG 4.48Å; A741-Q743 PolarHBondContact O-N 2.86Å; A741-Q743 VanDerWaalsContact O-N 3.16Å
742V66.4Low77.3Confident32 Ų3265.9 Ų65.919%0.19434%0.337CS..  trans-75.4101.8174.8177.60000108.8V740 L747 A748 L751 P772V740-V742 PolarHBondContact O-N 2.7Å; V742-L747 HydrophobicContact CG1-CB 4.28Å; V742-L747 HydrophobicContact CG1-CD2 4.02Å; V742-L747 HydrophobicContact CG1-CG 3.96Å; V742-L747 HydrophobicContact CG2-CD2 4.4Å; V742-A748 HydrophobicContact CG1-CB 4.38Å; V742-L751 HydrophobicContact CG2-CD1 4.4Å; V742-P772 HydrophobicContact CB-CB 4.38Å; V742-P772 HydrophobicContact CB-CG 4.42Å; V742-P772 HydrophobicContact CG1-CG 4.22Å
743Q62.4Low77.5Confident162 Ų16266.9 Ų66.976%0.75735%0.345SS*.  trans-98.1-37.3179.8-63.8-174.24.300112.4A741A741-Q743 HydrophobicContact CB-CG 4.48Å; A741-Q743 PolarHBondContact O-N 2.86Å; A741-Q743 VanDerWaalsContact O-N 3.16Å
744S74.4Confident77.9Confident5 Ų566.1 Ų66.14%0.03534%0.341CS..  trans-54.8125.8174.5175.20000113.3E700 V746 L747 A748E700-S744 WeakPolarHBondContact OE1-CA 2.99Å; E700-S744 VanDerWaalsContact OE1-CB 3.27Å; E700-S744 WeakPolarHBondContact OE1-CB 3.45Å; E700-S744 PolarHBondContact OE1-N 2.96Å; S744-V746 VanDerWaalsContact C-N 3.31Å; S744-V746 PolarHBondContact O-N 2.86Å; S744-V746 PolarHBondContact OG-N 2.8Å; S744-L747 PolarHBondContact OG-N 3.09Å; S744-A748 PolarHBondContact O-N 3.47Å; S744-A748 VanDerWaalsContact O-N 3.16Å
745P80.1Confident78.3Confident82 Ų8260.4 Ų60.453%0.53232%0.32SS..Hα-helixtrans-69.5-28.8175.929-34.4000112.4A748 E749P745-A748 PolarHBondContact O-N 2.93Å; P745-E749 PolarHBondContact O-N 3.28Å
746V82.7Confident78.9Confident42 Ų4255.6 Ų55.626%0.25530%0.301SS..Hα-helixtrans-69.1-44.3179.6-174.20000110.2V703 S744 E749 K750V703-V746 HydrophobicContact CG1-CB 4.49Å; V703-V746 HydrophobicContact CG1-CG1 3.98Å; S744-V746 VanDerWaalsContact C-N 3.31Å; S744-V746 PolarHBondContact O-N 2.86Å; S744-V746 PolarHBondContact OG-N 2.8Å; V746-E749 PolarHBondContact O-N 2.99Å; V746-K750 WeakPolarHBondContact O-CG 3.21Å; V746-K750 PolarHBondContact O-N 3.1Å
747L84.8Confident79.6Confident14 Ų1448.8 Ų48.87%0.07328%0.278CS..Hα-helixtrans-64.7-41.2174.4177.554.7000111.5I699 V703 V725 V742 S744 E749 K750 L751I699-L747 HydrophobicContact CG2-CD2 3.8Å; V703-L747 HydrophobicContact CG1-CB 4.4Å; V703-L747 HydrophobicContact CG2-CB 4.33Å; V703-L747 HydrophobicContact CG2-CD1 4Å; V725-L747 HydrophobicContact CG1-CD1 3.85Å; V725-L747 HydrophobicContact CG1-CD2 4.07Å; V742-L747 HydrophobicContact CG1-CB 4.28Å; V742-L747 HydrophobicContact CG1-CD2 4.02Å; V742-L747 HydrophobicContact CG1-CG 3.96Å; V742-L747 HydrophobicContact CG2-CD2 4.4Å; S744-L747 PolarHBondContact OG-N 3.09Å; L747-E749 VanDerWaalsContact C-N 3.32Å; L747-E749 PolarHBondContact O-N 3.18Å; L747-K750 PolarHBondContact O-N 2.84Å; L747-L751 HydrophobicContact CD1-CD1 3.83Å; L747-L751 HydrophobicContact CD1-CG 3.81Å; L747-L751 HydrophobicContact CG-CD1 3.89Å; L747-L751 HydrophobicContact CG-CG 4.34Å; L747-L751 WeakPolarHBondContact O-CB 3.4Å; L747-L751 WeakPolarHBondContact O-CG 3.21Å; L747-L751 PolarHBondContact O-N 2.95Å
748A84.6Confident80.4Confident3 Ų341.5 Ų41.53%0.02524%0.239CC..Hα-helixtrans-59.9-41.2175.700000112.2V742 S744 P745 T752 P772 I780V742-A748 HydrophobicContact CG1-CB 4.38Å; S744-A748 PolarHBondContact O-N 3.47Å; S744-A748 VanDerWaalsContact O-N 3.16Å; P745-A748 PolarHBondContact O-N 2.93Å; A748-T752 WeakPolarHBondContact O-CB 3.38Å; A748-T752 PolarHBondContact O-N 3.18Å; A748-T752 PolarHBondContact O-OG1 3.24Å; A748-P772 HydrophobicContact CB-CG 4.22Å; A748-I780 HydrophobicContact CB-CD1 4.1Å
749E85.5Confident81.4Confident45 Ų4537.8 Ų37.821%0.2121%0.213CC..Hα-helixtrans-61.3-52.9173.6-171.6-155.4107.600111.6P745 V746 L747 L751 T752 C753 W1028P745-E749 PolarHBondContact O-N 3.28Å; V746-E749 PolarHBondContact O-N 2.99Å; L747-E749 VanDerWaalsContact C-N 3.32Å; L747-E749 PolarHBondContact O-N 3.18Å; E749-L751 PolarHBondContact O-N 2.53Å; E749-T752 WeakPolarHBondContact O-CA 3.14Å; E749-T752 WeakPolarHBondContact O-CB 3.11Å; E749-T752 PolarHBondContact O-N 3Å; E749-C753 PolarHBondContact O-N 3.17Å; E749-C753 PolarHBondContact O-SG 3.22Å; E749-W1028 HydrophobicContact CG-CH2 3.75Å; E749-W1028 HydrophobicContact CG-CZ2 3.97Å; E749-W1028 HydrophobicContact CG-CZ3 4.07Å; E749-W1028 VanDerWaalsContact OE2-CH2 3.29Å; E749-W1028 WeakPolarHBondContact OE2-CH2 3.45Å
750K86.8Confident82.5Confident48 Ų4833.2 Ų33.221%0.20920%0.201CC..Hα-helixtrans-64.4-37.4-177.3-61.3-40.4179.7-164.50112.7L718 V746 L747 T752 C753 Y754L718-K750 HydrophobicContact CD1-CB 4.02Å; V746-K750 WeakPolarHBondContact O-CG 3.21Å; V746-K750 PolarHBondContact O-N 3.1Å; L747-K750 PolarHBondContact O-N 2.84Å; K750-T752 VanDerWaalsContact C-N 3.34Å; K750-C753 PolarHBondContact O-N 3.33Å; K750-Y754 WeakPolarHBondContact O-CB 3.19Å; K750-Y754 PolarHBondContact O-N 2.83Å
751L88Confident83.4Confident5 Ų532.2 Ų32.23%0.02619%0.194CC..Hα-helixtrans-65.4-34.6171.3-73.5173000112.6V722 V742 L747 E749 Y754 A755 Y770 P772V722-L751 HydrophobicContact CG1-CD2 4.37Å; V722-L751 HydrophobicContact CG2-CD2 4.18Å; V742-L751 HydrophobicContact CG2-CD1 4.4Å; L747-L751 HydrophobicContact CD1-CD1 3.83Å; L747-L751 HydrophobicContact CD1-CG 3.81Å; L747-L751 HydrophobicContact CG-CD1 3.89Å; L747-L751 HydrophobicContact CG-CG 4.34Å; L747-L751 WeakPolarHBondContact O-CB 3.4Å; L747-L751 WeakPolarHBondContact O-CG 3.21Å; L747-L751 PolarHBondContact O-N 2.95Å; E749-L751 PolarHBondContact O-N 2.53Å; L751-Y754 PolarHBondContact O-N 3Å; L751-A755 WeakPolarHBondContact O-CB 3.39Å; L751-A755 PolarHBondContact O-N 2.78Å; L751-Y770 HydrophobicContact CD2-CD1 4.25Å; L751-P772 HydrophobicContact CD1-CG 4.37Å
752T88.5Confident84.4Confident20 Ų2031 Ų3112%0.12319%0.187CC..Hα-helixtrans-67.4-42175-55.70000111.5A748 E749 K750 G756 L771 I780 L783A748-T752 WeakPolarHBondContact O-CB 3.38Å; A748-T752 PolarHBondContact O-N 3.18Å; A748-T752 PolarHBondContact O-OG1 3.24Å; E749-T752 WeakPolarHBondContact O-CA 3.14Å; E749-T752 WeakPolarHBondContact O-CB 3.11Å; E749-T752 PolarHBondContact O-N 3Å; K750-T752 VanDerWaalsContact C-N 3.34Å; T752-G756 PolarHBondContact O-N 3.19Å; T752-L771 HydrophobicContact CG2-CD2 4.4Å; T752-I780 HydrophobicContact CG2-CG1 4.17Å; T752-I780 WeakPolarHBondContact OG1-CG1 3.4Å; T752-L783 HydrophobicContact CG2-CD2 4.04Å
753C87.7Confident85.4Confident34 Ų3430.7 Ų30.723%0.2319%0.186CC..Hα-helixtrans-62.3-44.2173-66.60000111.3L718 E749 K750 G756 I757L718-C753 HydrophobicContact CD2-CB 4.11Å; E749-C753 PolarHBondContact O-N 3.17Å; E749-C753 PolarHBondContact O-SG 3.22Å; K750-C753 PolarHBondContact O-N 3.33Å; C753-G756 CarbonylContact O-C 3.34Å; C753-G756 WeakPolarHBondContact O-CA 3.31Å; C753-G756 PolarHBondContact O-N 3.11Å; C753-G756 VanDerWaalsContact O-N 3.08Å; C753-I757 WeakPolarHBondContact O-CG1 3.45Å; C753-I757 PolarHBondContact O-N 3.44Å
754Y90.5Very high86.6Confident0 Ų023.9 Ų23.90%016%0.155CC..Hα-helixtrans-61.1-48.2177.4-177.6-105.6000112.5F435 S439 L718 E719 V722 K750 L751 G756 I757 L758 Y770F435-Y754 AromaticContact CE2-CD2 3.88Å; F435-Y754 HydrophobicContact CE2-CD2 3.88Å; F435-Y754 AromaticContact CE2-CE2 3.49Å; F435-Y754 HydrophobicContact CE2-CE2 3.49Å; F435-Y754 VanDerWaalsContact CE2-CE2 3.49Å; F435-Y754 AromaticContact CZ-CD2 3.78Å; F435-Y754 HydrophobicContact CZ-CD2 3.78Å; F435-Y754 AromaticContact CZ-CE2 3.5Å; F435-Y754 HydrophobicContact CZ-CE2 3.5Å; S439-Y754 VanDerWaalsContact CB-OH 3.26Å; S439-Y754 WeakPolarHBondContact CB-OH 3.43Å; S439-Y754 PolarHBondContact OG-OH 3.28Å; L718-Y754 HydrophobicContact CD2-CD2 4.34Å; L718-Y754 HydrophobicContact CG-CD2 4.15Å; E719-Y754 HydrophobicContact CB-CE2 4.31Å; E719-Y754 PolarHBondContact OE1-OH 3.09Å; E719-Y754 WeakPolarHBondContact OE2-CE2 3.34Å; E719-Y754 VanDerWaalsContact OE2-CZ 3.27Å; E719-Y754 PolarHBondContact OE2-OH 2.9Å; V722-Y754 HydrophobicContact CB-CD2 4.43Å; V722-Y754 HydrophobicContact CB-CE2 4.36Å; V722-Y754 HydrophobicContact CG1-CD1 4.1Å; V722-Y754 HydrophobicContact CG1-CE1 3.84Å; V722-Y754 HydrophobicContact CG1-CE2 4.46Å; V722-Y754 HydrophobicContact CG2-CD1 4.21Å; V722-Y754 HydrophobicContact CG2-CD2 3.98Å; V722-Y754 HydrophobicContact CG2-CE2 4.4Å; V722-Y754 HydrophobicContact CG2-CG 3.88Å; K750-Y754 WeakPolarHBondContact O-CB 3.19Å; K750-Y754 PolarHBondContact O-N 2.83Å; L751-Y754 PolarHBondContact O-N 3Å; Y754-G756 PolarHBondContact O-N 3.49Å; Y754-I757 PolarHBondContact O-N 2.79Å; Y754-L758 HydrophobicContact CD1-CD1 3.83Å; Y754-L758 HydrophobicContact CE1-CD1 3.39Å; Y754-L758 HydrophobicContact CE1-CG 4.27Å; Y754-L758 PolarHBondContact O-N 2.93Å; Y754-Y770 HydrophobicContact CD1-CD1 4.26Å; Y754-Y770 HydrophobicContact CD1-CD2 4.11Å; Y754-Y770 AromaticContact CD1-CG 3.94Å; Y754-Y770 HydrophobicContact CD1-CG 3.94Å; Y754-Y770 HydrophobicContact CE1-CD1 4.07Å; Y754-Y770 AromaticContact CE1-CD2 3.66Å; Y754-Y770 HydrophobicContact CE1-CD2 3.66Å; Y754-Y770 HydrophobicContact CE1-CE1 4.13Å; Y754-Y770 AromaticContact CE1-CE2 3.74Å; Y754-Y770 HydrophobicContact CE1-CE2 3.74Å; Y754-Y770 AromaticContact CE1-CG 3.85Å; Y754-Y770 HydrophobicContact CE1-CG 3.85Å; Y754-Y770 AromaticContact CE1-CZ 3.97Å
755A90.3Very high87.2Confident0 Ų028 Ų280%018%0.18CC..Hα-helixtrans-60-34.9171.800000112.1L751 A759 A767 L771 L783L751-A755 WeakPolarHBondContact O-CB 3.39Å; L751-A755 PolarHBondContact O-N 2.78Å; A755-A759 WeakPolarHBondContact O-CB 3.43Å; A755-A759 PolarHBondContact O-N 3.17Å; A755-A767 HydrophobicContact CB-CB 4.34Å; A755-A767 WeakPolarHBondContact CB-O 3.43Å; A755-A767 WeakPolarHBondContact O-CB 3.03Å; A755-L771 HydrophobicContact CB-CD2 4.04Å; A755-L771 HydrophobicContact CB-CG 3.98Å; A755-L783 HydrophobicContact CB-CD2 4.26Å
756G89.4Confident87.5Confident26 Ų2624.9 Ų24.927%0.26816%0.159SC..Hα-helixtrans-62.9-43.617400000113.5T752 C753 Y754 A759 A760T752-G756 PolarHBondContact O-N 3.19Å; C753-G756 CarbonylContact O-C 3.34Å; C753-G756 WeakPolarHBondContact O-CA 3.31Å; C753-G756 PolarHBondContact O-N 3.11Å; C753-G756 VanDerWaalsContact O-N 3.08Å; Y754-G756 PolarHBondContact O-N 3.49Å; G756-A759 PolarHBondContact O-N 3.34Å; G756-A760 WeakPolarHBondContact O-CB 3.48Å; G756-A760 PolarHBondContact O-N 2.78Å
757I90.1Very high87.8Confident43 Ų4322.9 Ų22.922%0.22115%0.147CC..Hα-helixtrans-68.6-46.2176.1-60170.5000110.2F435 P715 L718 C753 Y754 A759 A760 E761F435-I757 HydrophobicContact CD1-CG2 4.07Å; F435-I757 HydrophobicContact CE1-CB 4.15Å; F435-I757 HydrophobicContact CE1-CG2 3.48Å; F435-I757 VanDerWaalsContact CE1-CG2 3.48Å; F435-I757 HydrophobicContact CE2-CG2 4.45Å; F435-I757 HydrophobicContact CZ-CB 4.04Å; F435-I757 HydrophobicContact CZ-CG2 3.71Å; P715-I757 HydrophobicContact CB-CD1 4.34Å; P715-I757 HydrophobicContact CB-CG2 4.4Å; P715-I757 HydrophobicContact CG-CD1 4.34Å; L718-I757 HydrophobicContact CD2-CD1 4.04Å; C753-I757 WeakPolarHBondContact O-CG1 3.45Å; C753-I757 PolarHBondContact O-N 3.44Å; Y754-I757 PolarHBondContact O-N 2.79Å; I757-A759 PolarHBondContact O-N 3.05Å; I757-A760 WeakPolarHBondContact O-CB 3.3Å; I757-A760 PolarHBondContact O-N 2.77Å; I757-E761 PolarHBondContact O-N 3.48Å
758L89.9Confident87.9Confident0 Ų024.3 Ų24.30%015%0.154CC..Hα-helixtrans-57.8-37.1173.9-74.1173.9000112.4F435 L436 S439 Y754 G762 S763 T766 A767 Y770F435-L758 HydrophobicContact CD1-CD2 4.42Å; F435-L758 HydrophobicContact CE1-CD2 3.59Å; F435-L758 HydrophobicContact CE1-CG 3.95Å; F435-L758 HydrophobicContact CZ-CD2 4.13Å; F435-L758 HydrophobicContact CZ-CG 4.13Å; L436-L758 HydrophobicContact CD2-CD2 4.04Å; S439-L758 WeakPolarHBondContact OG-CD2 3.39Å; Y754-L758 HydrophobicContact CD1-CD1 3.83Å; Y754-L758 HydrophobicContact CE1-CD1 3.39Å; Y754-L758 HydrophobicContact CE1-CG 4.27Å; Y754-L758 PolarHBondContact O-N 2.93Å; L758-G762 PolarHBondContact O-N 2.91Å; L758-S763 WeakPolarHBondContact O-CA 3.15Å; L758-S763 PolarHBondContact O-N 2.88Å; L758-T766 HydrophobicContact CD1-CG2 3.99Å; L758-A767 HydrophobicContact CB-CB 3.88Å; L758-Y770 HydrophobicContact CD1-CD2 3.9Å; L758-Y770 HydrophobicContact CD1-CE2 4.21Å
759A89.6Confident88Confident0 Ų028.5 Ų28.50%018%0.18CC..Hα-helixtrans-70-36.6174.100000112.6F399 G400 A755 G756 I757 G762 L764 A767 L787F399-A759 HydrophobicContact CE2-CB 4.06Å; F399-A759 HydrophobicContact CZ-CB 3.82Å; G400-A759 VanDerWaalsContact CA-O 3.22Å; G400-A759 WeakPolarHBondContact CA-O 3.43Å; A755-A759 WeakPolarHBondContact O-CB 3.43Å; A755-A759 PolarHBondContact O-N 3.17Å; G756-A759 PolarHBondContact O-N 3.34Å; I757-A759 PolarHBondContact O-N 3.05Å; A759-G762 PolarHBondContact O-N 3.34Å; A759-L764 HydrophobicContact CB-CD2 4.44Å; A759-A767 HydrophobicContact CB-CB 4.25Å; A759-L787 HydrophobicContact CB-CD2 3.78Å
760A88.5Confident88Confident55 Ų5526.8 Ų26.846%0.45517%0.171SC..Hα-helixtrans-66.3-37.6175.500000112.1G401 G756 I757 G762G401-A760 WeakPolarHBondContact CA-O 3.18Å; G401-A760 PolarHBondContact N-O 3.41Å; G756-A760 WeakPolarHBondContact O-CB 3.48Å; G756-A760 PolarHBondContact O-N 2.78Å; I757-A760 WeakPolarHBondContact O-CB 3.3Å; I757-A760 PolarHBondContact O-N 2.77Å; A760-G762 VanDerWaalsContact C-N 3.3Å; A760-G762 PolarHBondContact O-N 2.68Å
761E86.8Confident87.9Confident9 Ų924.6 Ų24.64%0.04216%0.162CC..THydrogen-bonded Turntrans-79.4-8.2176.8-68.9-64.9165.200114Q428 T430 T431 E432 L436 I757Q428-E761 PolarHBondContact NE2-O 3.42Å; T430-E761 WeakPolarHBondContact CA-OE2 3.35Å; T430-E761 VanDerWaalsContact CG2-OE2 3.31Å; T430-E761 WeakPolarHBondContact CG2-OE2 3.28Å; T431-E761 WeakPolarHBondContact CB-OE1 3.43Å; T431-E761 PolarHBondContact N-OE1 3.43Å; T431-E761 PolarHBondContact N-OE2 3.03Å; T431-E761 PolarHBondContact OG1-OE1 2.96Å; E432-E761 WeakPolarHBondContact CB-OE1 3.29Å; E432-E761 PolarHBondContact N-OE1 3.17Å; E432-E761 PolarHBondContact N-OE2 3.28Å; L436-E761 HydrophobicContact CD1-CB 4.04Å; L436-E761 HydrophobicContact CD2-CB 3.71Å; L436-E761 HydrophobicContact CD2-CG 4.46Å; L436-E761 HydrophobicContact CG-CB 3.9Å; L436-E761 HydrophobicContact CG-CG 4.38Å; I757-E761 PolarHBondContact O-N 3.48Å
762G85.4Confident87.4Confident27 Ų2725 Ų2528%0.27817%0.165SC..THydrogen-bonded Turntrans991.3174.800000116.4G400 L758 A759 A760 L764G400-G762 WeakPolarHBondContact O-CA 3.43Å; L758-G762 PolarHBondContact O-N 2.91Å; A759-G762 PolarHBondContact O-N 3.34Å; A760-G762 VanDerWaalsContact C-N 3.3Å; A760-G762 PolarHBondContact O-N 2.68Å; G762-L764 PolarHBondContact O-N 2.82Å
763S87.3Confident86.5Confident25 Ų2529.9 Ų29.918%0.17519%0.19CC..  trans-80.954.8179.5-159.50000112.5L758 T765 T766 A767L758-S763 WeakPolarHBondContact O-CA 3.15Å; L758-S763 PolarHBondContact O-N 2.88Å; S763-T765 VanDerWaalsContact C-N 3.31Å; S763-T765 PolarHBondContact O-N 2.82Å; S763-T766 PolarHBondContact O-N 2.97Å; S763-T766 WeakPolarHBondContact OG-CB 3.15Å; S763-T766 PolarHBondContact OG-OG1 3.21Å; S763-A767 PolarHBondContact O-N 2.96Å
764L88.2Confident85.3Confident19 Ų1935.2 Ų35.210%0.09922%0.216CC..Hα-helixtrans-57.6-34.5-168-58.8176.6000114.7F399 A759 G762 M768 L787 A790 Q791F399-L764 HydrophobicContact CE1-CD2 4.12Å; A759-L764 HydrophobicContact CB-CD2 4.44Å; G762-L764 PolarHBondContact O-N 2.82Å; L764-M768 PolarHBondContact O-N 3.49Å; L764-L787 HydrophobicContact CB-CD2 4.21Å; L764-L787 HydrophobicContact CD2-CD2 3.7Å; L764-A790 HydrophobicContact CD1-CB 3.92Å; L764-A790 HydrophobicContact CD2-CB 4.35Å; L764-Q791 HydrophobicContact CB-CG 3.89Å; L764-Q791 HydrophobicContact CD1-CG 4.48Å; L764-Q791 PolarHBondContact O-NE2 2.87Å
765T86.6Confident84.2Confident92 Ų9236.3 Ų36.356%0.56422%0.224SC*.Hα-helixtrans-72.9-48.8179.4460000111.3S763 A767 M768 T769S763-T765 VanDerWaalsContact C-N 3.31Å; S763-T765 PolarHBondContact O-N 2.82Å; T765-A767 VanDerWaalsContact C-N 3.34Å; T765-A767 PolarHBondContact O-N 3.2Å; T765-M768 VanDerWaalsContact O-CB 3.31Å; T765-M768 WeakPolarHBondContact O-CB 3.42Å; T765-M768 PolarHBondContact O-N 2.98Å; T765-M768 VanDerWaalsContact O-N 3.12Å; T765-T769 PolarHBondContact O-N 3.04Å; T765-T769 PolarHBondContact O-OG1 3.48Å
766T86.9Confident83Confident15 Ų1542.4 Ų42.49%0.09226%0.257CS..Hα-helixtrans-57.1-45.9174.3-44.90000111.4Q443 L758 S763 M768 T769 Y770Q443-T766 HydrophobicContact CB-CG2 4.41Å; Q443-T766 HydrophobicContact CG-CG2 4.26Å; L758-T766 HydrophobicContact CD1-CG2 3.99Å; S763-T766 PolarHBondContact O-N 2.97Å; S763-T766 WeakPolarHBondContact OG-CB 3.15Å; S763-T766 PolarHBondContact OG-OG1 3.21Å; T766-M768 PolarHBondContact O-N 2.83Å; T766-T769 WeakPolarHBondContact O-CB 3.39Å; T766-T769 PolarHBondContact O-N 2.82Å; T766-Y770 HydrophobicContact CG2-CD2 4.16Å; T766-Y770 HydrophobicContact CG2-CE2 3.69Å; T766-Y770 VanDerWaalsContact O-CD2 3.27Å; T766-Y770 WeakPolarHBondContact O-CD2 3.43Å; T766-Y770 PolarHBondContact O-N 2.85Å
767A88.4Confident82.4Confident0 Ų044.4 Ų44.40%026%0.259CS..Hα-helixtrans-56.3-34.6176.500000113.1A755 L758 A759 S763 T765 L787A755-A767 HydrophobicContact CB-CB 4.34Å; A755-A767 WeakPolarHBondContact CB-O 3.43Å; A755-A767 WeakPolarHBondContact O-CB 3.03Å; L758-A767 HydrophobicContact CB-CB 3.88Å; A759-A767 HydrophobicContact CB-CB 4.25Å; S763-A767 PolarHBondContact O-N 2.96Å; T765-A767 VanDerWaalsContact C-N 3.34Å; T765-A767 PolarHBondContact O-N 3.2Å; A767-L787 HydrophobicContact CB-CD1 3.93Å; A767-L787 HydrophobicContact CB-CD2 4.09Å
768M86.6Confident81.8Confident45 Ų4547 Ų4722%0.22228%0.278CS..Hα-helixtrans-68.6-34.2176.9-166.772.9173.100112.4L764 T765 T766 Y770 L771 R784 L787L764-M768 PolarHBondContact O-N 3.49Å; T765-M768 VanDerWaalsContact O-CB 3.31Å; T765-M768 WeakPolarHBondContact O-CB 3.42Å; T765-M768 PolarHBondContact O-N 2.98Å; T765-M768 VanDerWaalsContact O-N 3.12Å; T766-M768 PolarHBondContact O-N 2.83Å; M768-Y770 VanDerWaalsContact C-N 3.33Å; M768-Y770 PolarHBondContact O-N 2.94Å; M768-L771 PolarHBondContact O-N 2.71Å; M768-R784 HydrophobicContact CE-CG 3.56Å; M768-R784 HydrophobicContact SD-CG 3.85Å; M768-L787 HydrophobicContact SD-CB 4.18Å
769T86.8Confident81.2Confident91 Ų9148.2 Ų48.256%0.55829%0.291SS*.Hα-helixtrans-69.2-27.8-179.9-46.90000113.2T765 T766T765-T769 PolarHBondContact O-N 3.04Å; T765-T769 PolarHBondContact O-OG1 3.48Å; T766-T769 WeakPolarHBondContact O-CB 3.39Å; T766-T769 PolarHBondContact O-N 2.82Å
770Y86.6Confident80.9Confident8 Ų848.3 Ų48.33%0.03129%0.292CS..THydrogen-bonded Turntrans-87.7-5.7-179-72.2-75.2000114.3L442 L446 V722 M726 L751 Y754 L758 T766 M768L442-Y770 WeakPolarHBondContact CD2-OH 3.25Å; L446-Y770 HydrophobicContact CD1-CE1 4.41Å; V722-Y770 HydrophobicContact CG1-CD1 4.24Å; V722-Y770 HydrophobicContact CG1-CE1 3.92Å; M726-Y770 HydrophobicContact CE-CD1 4.33Å; M726-Y770 HydrophobicContact CE-CE1 3.93Å; M726-Y770 HydrophobicContact CG-CE1 4.04Å; M726-Y770 HydrophobicContact SD-CD1 4.42Å; M726-Y770 HydrophobicContact SD-CE1 4.25Å; L751-Y770 HydrophobicContact CD2-CD1 4.25Å; Y754-Y770 HydrophobicContact CD1-CD1 4.26Å; Y754-Y770 HydrophobicContact CD1-CD2 4.11Å; Y754-Y770 AromaticContact CD1-CG 3.94Å; Y754-Y770 HydrophobicContact CD1-CG 3.94Å; Y754-Y770 HydrophobicContact CE1-CD1 4.07Å; Y754-Y770 AromaticContact CE1-CD2 3.66Å; Y754-Y770 HydrophobicContact CE1-CD2 3.66Å; Y754-Y770 HydrophobicContact CE1-CE1 4.13Å; Y754-Y770 AromaticContact CE1-CE2 3.74Å; Y754-Y770 HydrophobicContact CE1-CE2 3.74Å; Y754-Y770 AromaticContact CE1-CG 3.85Å; Y754-Y770 HydrophobicContact CE1-CG 3.85Å; Y754-Y770 AromaticContact CE1-CZ 3.97Å; L758-Y770 HydrophobicContact CD1-CD2 3.9Å; L758-Y770 HydrophobicContact CD1-CE2 4.21Å; T766-Y770 HydrophobicContact CG2-CD2 4.16Å; T766-Y770 HydrophobicContact CG2-CE2 3.69Å; T766-Y770 VanDerWaalsContact O-CD2 3.27Å; T766-Y770 WeakPolarHBondContact O-CD2 3.43Å; T766-Y770 PolarHBondContact O-N 2.85Å; M768-Y770 VanDerWaalsContact C-N 3.33Å; M768-Y770 PolarHBondContact O-N 2.94Å
771L84Confident80.6Confident3 Ų350.9 Ų50.92%0.01629%0.29CS..SBendtrans-82.6123.1179-77.6171.1000111.9T752 A755 M768 D773 I780 L783 R784 L787T752-L771 HydrophobicContact CG2-CD2 4.4Å; A755-L771 HydrophobicContact CB-CD2 4.04Å; A755-L771 HydrophobicContact CB-CG 3.98Å; M768-L771 PolarHBondContact O-N 2.71Å; L771-D773 PolarHBondContact O-N 3.31Å; L771-I780 HydrophobicContact CD2-CG1 4.39Å; L771-I780 HydrophobicContact CD2-CG2 4.4Å; L771-L783 HydrophobicContact CD1-CG 4.34Å; L771-L783 HydrophobicContact CD2-CD2 4.23Å; L771-R784 HydrophobicContact CD1-CB 4.05Å; L771-R784 HydrophobicContact CD1-CG 4.37Å; L771-R784 PolarHBondContact O-NH1 3.01Å; L771-L787 HydrophobicContact CD1-CD1 3.65Å
772P78.3Confident80.5Confident14 Ų1454.1 Ų54.19%0.09131%0.306CS..  trans-58.8128178.1-24.534.1000113.1V742 A748 L751 I780V742-P772 HydrophobicContact CB-CB 4.38Å; V742-P772 HydrophobicContact CB-CG 4.42Å; V742-P772 HydrophobicContact CG1-CG 4.22Å; A748-P772 HydrophobicContact CB-CG 4.22Å; L751-P772 HydrophobicContact CD1-CG 4.37Å; P772-I780 HydrophobicContact CG-CD1 4.26Å
773D69.1Low80.5Confident121 Ų12153.9 Ų53.965%0.64730%0.298SS*.THydrogen-bonded Turntrans-72.3-33.6-178.4-59.2-68.2000113.7L771 R784L771-D773 PolarHBondContact O-N 3.31Å; D773-R784 IonicContact OD1-CZ 2.84Å; D773-R784 IonicContact OD1-NH1 2.88Å; D773-R784 PolarHBondContact OD1-NH1 2.98Å; D773-R784 IonicContact OD1-NH2 2.68Å; D773-R784 PolarHBondContact OD1-NH2 2.74Å
774N63.3Low80.4Confident146 Ų14655.6 Ų55.678%0.78130%0.3SS*.THydrogen-bonded Turntrans-9927.8-172.6-67.4-21.5000113.7
775S66.2Low80.3Confident23 Ų2356.1 Ų56.116%0.16130%0.303CS..  trans-107124.9-178.6-163.30000113.5Q777 I780S775-Q777 VanDerWaalsContact C-N 3.26Å; S775-Q777 PolarHBondContact O-N 2.78Å; S775-I780 WeakPolarHBondContact OG-CD1 3.38Å
776D64.8Low80.3Confident129 Ų12957 Ų5769%0.6930%0.297SS*.  trans-80.3-2.1176.4-79.2-12.1000114.2R781D776-R781 VanDerWaalsContact CG-NH2 3.28Å; D776-R781 IonicContact OD1-CZ 3.44Å; D776-R781 IonicContact OD1-NH2 2.92Å; D776-R781 PolarHBondContact OD1-NH2 2.91Å
777Q76.6Confident80.4Confident68 Ų6856.3 Ų56.332%0.31829%0.292SS..  trans-61.5133.4-179.1-65.8-172.311.200111.9S775 G779 I780 R781S775-Q777 VanDerWaalsContact C-N 3.26Å; S775-Q777 PolarHBondContact O-N 2.78Å; Q777-G779 VanDerWaalsContact C-N 3.31Å; Q777-G779 PolarHBondContact O-N 3.15Å; Q777-I780 HydrophobicContact CB-CD1 4.35Å; Q777-I780 PolarHBondContact O-N 2.9Å; Q777-R781 PolarHBondContact O-N 2.84Å
778P77.7Confident80.2Confident96 Ų9658.7 Ų58.762%0.62330%0.301SS*.Hα-helixtrans-64.9-32.9-175.224.9-33.9000112.9R781 M782P778-R781 PolarHBondContact O-N 3.1Å; P778-M782 WeakPolarHBondContact O-CB 3.38Å; P778-M782 VanDerWaalsContact O-CG 3.27Å; P778-M782 WeakPolarHBondContact O-CG 3.39Å; P778-M782 PolarHBondContact O-N 3.38Å
779G77.4Confident80Confident26 Ų2661.2 Ų61.227%0.26831%0.312SS..Hα-helixtrans-61.2-44.9178.400000113.2Q777 M782 L783Q777-G779 VanDerWaalsContact C-N 3.31Å; Q777-G779 PolarHBondContact O-N 3.15Å; G779-M782 PolarHBondContact O-N 3.33Å; G779-L783 WeakPolarHBondContact O-CB 3.49Å; G779-L783 PolarHBondContact O-N 3.16Å
780I83.4Confident79.8Confident3 Ų358.3 Ų58.32%0.01530%0.298CS..Hα-helixtrans-61.4-49.1175.9-74.5167000110.1A748 T752 L771 P772 S775 Q777 M782 L783 R784A748-I780 HydrophobicContact CB-CD1 4.1Å; T752-I780 HydrophobicContact CG2-CG1 4.17Å; T752-I780 WeakPolarHBondContact OG1-CG1 3.4Å; L771-I780 HydrophobicContact CD2-CG1 4.39Å; L771-I780 HydrophobicContact CD2-CG2 4.4Å; P772-I780 HydrophobicContact CG-CD1 4.26Å; S775-I780 WeakPolarHBondContact OG-CD1 3.38Å; Q777-I780 HydrophobicContact CB-CD1 4.35Å; Q777-I780 PolarHBondContact O-N 2.9Å; I780-M782 PolarHBondContact O-N 3.27Å; I780-L783 PolarHBondContact O-N 2.96Å; I780-R784 VanDerWaalsContact O-CB 3.23Å; I780-R784 WeakPolarHBondContact O-CB 3.43Å; I780-R784 PolarHBondContact O-N 2.94Å
781R82.1Confident79.4Confident108 Ų10860.7 Ų60.741%0.40831%0.309SS..Hα-helixtrans-59.2-45.2179.3-66.6175.6173.6-169.1-1112.1D776 Q777 P778 R784 D785D776-R781 VanDerWaalsContact CG-NH2 3.28Å; D776-R781 IonicContact OD1-CZ 3.44Å; D776-R781 IonicContact OD1-NH2 2.92Å; D776-R781 PolarHBondContact OD1-NH2 2.91Å; Q777-R781 PolarHBondContact O-N 2.84Å; P778-R781 PolarHBondContact O-N 3.1Å; R781-R784 PolarHBondContact O-N 3.22Å; R781-D785 WeakPolarHBondContact O-CB 3.27Å; R781-D785 PolarHBondContact O-N 3.31Å
782M84.3Confident78.5Confident77 Ų7762.3 Ų62.338%0.37933%0.327SS..Hα-helixtrans-66.9-39.7178.2-69.7177.483.600113P778 G779 I780 R786 F804 F1026P778-M782 WeakPolarHBondContact O-CB 3.38Å; P778-M782 VanDerWaalsContact O-CG 3.27Å; P778-M782 WeakPolarHBondContact O-CG 3.39Å; P778-M782 PolarHBondContact O-N 3.38Å; G779-M782 PolarHBondContact O-N 3.33Å; I780-M782 PolarHBondContact O-N 3.27Å; M782-R786 VanDerWaalsContact O-CB 3.29Å; M782-R786 WeakPolarHBondContact O-CB 3.48Å; M782-R786 PolarHBondContact O-N 2.96Å; M782-R786 VanDerWaalsContact O-N 3.12Å; M782-F804 HydrophobicContact CG-CE2 4.1Å; M782-F804 HydrophobicContact CG-CZ 4.05Å; M782-F1026 HydrophobicContact CB-CE1 4.05Å; M782-F1026 HydrophobicContact CB-CZ 4.25Å; M782-F1026 HydrophobicContact CE-CE1 4Å; M782-F1026 HydrophobicContact CE-CZ 3.76Å; M782-F1026 HydrophobicContact SD-CE1 3.99Å; M782-F1026 HydrophobicContact SD-CZ 4.33Å
783L85.5Confident77.4Confident22 Ų2270.5 Ų70.512%0.11536%0.364CS..Hα-helixtrans-70.2-38.6177-176.855.5000111.5F399 T752 A755 L771 G779 I780 R786 L787F399-L783 HydrophobicContact CZ-CD1 4.31Å; T752-L783 HydrophobicContact CG2-CD2 4.04Å; A755-L783 HydrophobicContact CB-CD2 4.26Å; L771-L783 HydrophobicContact CD1-CG 4.34Å; L771-L783 HydrophobicContact CD2-CD2 4.23Å; G779-L783 WeakPolarHBondContact O-CB 3.49Å; G779-L783 PolarHBondContact O-N 3.16Å; I780-L783 PolarHBondContact O-N 2.96Å; L783-R786 PolarHBondContact O-N 3.08Å; L783-L787 HydrophobicContact CD1-CD1 4.35Å; L783-L787 HydrophobicContact CD1-CG 4.27Å; L783-L787 HydrophobicContact CG-CD1 4.12Å; L783-L787 WeakPolarHBondContact O-CB 3.49Å; L783-L787 WeakPolarHBondContact O-CG 3.27Å; L783-L787 PolarHBondContact O-N 2.72Å
784R86.3Confident76.4Confident61 Ų6170.1 Ų70.123%0.2338%0.378CS..Hα-helixtrans-63.8-45.2177.4-164.1172-178.3123.8-3.3112.3M768 L771 D773 I780 R781 L787 Y788M768-R784 HydrophobicContact CE-CG 3.56Å; M768-R784 HydrophobicContact SD-CG 3.85Å; L771-R784 HydrophobicContact CD1-CB 4.05Å; L771-R784 HydrophobicContact CD1-CG 4.37Å; L771-R784 PolarHBondContact O-NH1 3.01Å; D773-R784 IonicContact OD1-CZ 2.84Å; D773-R784 IonicContact OD1-NH1 2.88Å; D773-R784 PolarHBondContact OD1-NH1 2.98Å; D773-R784 IonicContact OD1-NH2 2.68Å; D773-R784 PolarHBondContact OD1-NH2 2.74Å; I780-R784 VanDerWaalsContact O-CB 3.23Å; I780-R784 WeakPolarHBondContact O-CB 3.43Å; I780-R784 PolarHBondContact O-N 2.94Å; R781-R784 PolarHBondContact O-N 3.22Å; R784-L787 PolarHBondContact O-N 3.43Å; R784-Y788 WeakPolarHBondContact O-CB 3.49Å; R784-Y788 PolarHBondContact O-N 3.12Å
785D84.9Confident75.6Confident30 Ų3065.8 Ų65.816%0.1636%0.362CS..Hα-helixtrans-62.4-43.9174.7-172.875.1000111.7R781 L787 Y788 H789R781-D785 WeakPolarHBondContact O-CB 3.27Å; R781-D785 PolarHBondContact O-N 3.31Å; D785-L787 PolarHBondContact O-N 3.44Å; D785-Y788 PolarHBondContact O-N 3.49Å; D785-H789 PolarHBondContact O-N 2.82Å
786R87.6Confident74.5Confident112 Ų11267.2 Ų67.242%0.42338%0.375SS..Hα-helixtrans-64.5-39.1176.5-168-177.6-174.3179.81.3113F399 M782 L783 A790F399-R786 HydrophobicContact CD1-CG 4.02Å; F399-R786 VanDerWaalsContact CD2-NE 3.34Å; F399-R786 HydrophobicContact CE1-CG 3.76Å; F399-R786 HydrophobicContact CE2-CG 4.39Å; F399-R786 HydrophobicContact CG-CG 4.44Å; F399-R786 HydrophobicContact CZ-CG 3.95Å; M782-R786 VanDerWaalsContact O-CB 3.29Å; M782-R786 WeakPolarHBondContact O-CB 3.48Å; M782-R786 PolarHBondContact O-N 2.96Å; M782-R786 VanDerWaalsContact O-N 3.12Å; L783-R786 PolarHBondContact O-N 3.08Å; R786-A790 VanDerWaalsContact O-CB 3.28Å; R786-A790 WeakPolarHBondContact O-CB 3.13Å; R786-A790 PolarHBondContact O-N 3.27Å; R786-A790 VanDerWaalsContact O-N 3.1Å
787L87.9Confident73.5Confident0 Ų070.2 Ų70.20%039%0.385CS..Hα-helixtrans-67.2-46.6175.2-81.7171.1000111.6F399 A759 L764 A767 M768 L771 L783 R784 D785 H789 A790 Q791F399-L787 HydrophobicContact CE1-CD2 4.25Å; F399-L787 HydrophobicContact CZ-CD2 4.1Å; F399-L787 HydrophobicContact CZ-CG 4.44Å; A759-L787 HydrophobicContact CB-CD2 3.78Å; L764-L787 HydrophobicContact CB-CD2 4.21Å; L764-L787 HydrophobicContact CD2-CD2 3.7Å; A767-L787 HydrophobicContact CB-CD1 3.93Å; A767-L787 HydrophobicContact CB-CD2 4.09Å; M768-L787 HydrophobicContact SD-CB 4.18Å; L771-L787 HydrophobicContact CD1-CD1 3.65Å; L783-L787 HydrophobicContact CD1-CD1 4.35Å; L783-L787 HydrophobicContact CD1-CG 4.27Å; L783-L787 HydrophobicContact CG-CD1 4.12Å; L783-L787 WeakPolarHBondContact O-CB 3.49Å; L783-L787 WeakPolarHBondContact O-CG 3.27Å; L783-L787 PolarHBondContact O-N 2.72Å; R784-L787 PolarHBondContact O-N 3.43Å; D785-L787 PolarHBondContact O-N 3.44Å; L787-H789 VanDerWaalsContact C-N 3.33Å; L787-H789 PolarHBondContact O-N 2.76Å; L787-A790 PolarHBondContact O-N 3.3Å; L787-Q791 WeakPolarHBondContact O-CG 3.36Å; L787-Q791 PolarHBondContact O-N 3.14Å; L787-Q791 VanDerWaalsContact O-N 3.08Å
788Y84.8Confident72Confident49 Ų4974.9 Ų74.919%0.19241%0.407CS..Hα-helixtrans-55.2-47.6176.2-179.5-99.6000111.5R784 D785 A790 A796 Q798 P800R784-Y788 WeakPolarHBondContact O-CB 3.49Å; R784-Y788 PolarHBondContact O-N 3.12Å; D785-Y788 PolarHBondContact O-N 3.49Å; Y788-A790 VanDerWaalsContact C-N 3.3Å; Y788-A790 PolarHBondContact O-N 2.88Å; Y788-A796 WeakPolarHBondContact OH-CB 3.39Å; Y788-Q798 VanDerWaalsContact CE2-O 3.3Å; Y788-Q798 WeakPolarHBondContact CE2-O 3.32Å; Y788-Q798 PolarHBondContact OH-O 3.44Å; Y788-P800 HydrophobicContact CD1-CG 4.4Å
789H82.7Confident70.4Confident98 Ų9878.5 Ų78.545%0.45442%0.415SS..Hα-helixtrans-71.2-18.2175.8-77.6-25000114.9D785 L787 K806D785-H789 PolarHBondContact O-N 2.82Å; L787-H789 VanDerWaalsContact C-N 3.33Å; L787-H789 PolarHBondContact O-N 2.76Å; H789-K806 WeakPolarHBondContact NE2-CE 3.36Å
790A82.8Confident69Low31 Ų3178.7 Ų78.726%0.25641%0.412SS..Hα-helixtrans-86.7-23.2177.100000114.3F399 L764 R786 L787 Y788F399-A790 HydrophobicContact CD1-CB 3.66Å; F399-A790 HydrophobicContact CE1-CB 3.64Å; L764-A790 HydrophobicContact CD1-CB 3.92Å; L764-A790 HydrophobicContact CD2-CB 4.35Å; R786-A790 VanDerWaalsContact O-CB 3.28Å; R786-A790 WeakPolarHBondContact O-CB 3.13Å; R786-A790 PolarHBondContact O-N 3.27Å; R786-A790 VanDerWaalsContact O-N 3.1Å; L787-A790 PolarHBondContact O-N 3.3Å; Y788-A790 VanDerWaalsContact C-N 3.3Å; Y788-A790 PolarHBondContact O-N 2.88Å
791Q78.7Confident67.2Low57 Ų5784.5 Ų84.527%0.26645%0.45SS..Hα-helixtrans-78.7-25.7177.5-69.4177.118.300113.1L764 L787L764-Q791 HydrophobicContact CB-CG 3.89Å; L764-Q791 HydrophobicContact CD1-CG 4.48Å; L764-Q791 PolarHBondContact O-NE2 2.87Å; L787-Q791 WeakPolarHBondContact O-CG 3.36Å; L787-Q791 PolarHBondContact O-N 3.14Å; L787-Q791 VanDerWaalsContact O-N 3.08Å
792G64.5Low65.7Low37 Ų3785.5 Ų85.538%0.38146%0.463SS..  trans86.9171.7177.300000114.6A794 A795G792-A794 PolarHBondContact O-N 3.19Å; G792-A794 VanDerWaalsContact O-N 3.09Å; G792-A795 PolarHBondContact O-N 2.86Å
793E54.8Low64Low187 Ų18785.9 Ų85.987%0.87447%0.473SS*.G310 helixtrans-66.5-15.9-167.3-61.1-176.6143.300114.4A795 A796E793-A795 PolarHBondContact O-N 2.78Å; E793-A795 VanDerWaalsContact O-N 3.15Å; E793-A796 VanDerWaalsContact O-CB 3.31Å; E793-A796 WeakPolarHBondContact O-CB 3.42Å; E793-A796 PolarHBondContact O-N 3.02Å; E793-A796 VanDerWaalsContact O-N 3.13Å
794A47.3Very low62.6Low113 Ų11390.6 Ų90.693%0.93449%0.493SS*.G310 helixtrans-64.2-16.7179.200000114.5G792G792-A794 PolarHBondContact O-N 3.19Å; G792-A794 VanDerWaalsContact O-N 3.09Å
795A46.6Very low60.9Low55 Ų5595.4 Ų95.446%0.45552%0.523SS..G310 helixtrans-103.93.2176.800000113.9G792 E793 Q797G792-A795 PolarHBondContact O-N 2.86Å; E793-A795 PolarHBondContact O-N 2.78Å; E793-A795 VanDerWaalsContact O-N 3.15Å; A795-Q797 VanDerWaalsContact C-N 3.32Å; A795-Q797 PolarHBondContact O-N 2.78Å
796A43.9Very low59.3Low52 Ų52102.1 Ų102.143%0.4355%0.551SS.*  trans-80.761.4-166.900000114.7Y788 E793Y788-A796 WeakPolarHBondContact OH-CB 3.39Å; E793-A796 VanDerWaalsContact O-CB 3.31Å; E793-A796 WeakPolarHBondContact O-CB 3.42Å; E793-A796 PolarHBondContact O-N 3.02Å; E793-A796 VanDerWaalsContact O-N 3.13Å
797Q43.7Very low57Low192 Ų192103.2 Ų103.290%0.89757%0.57SS**SBendtrans-95.1-10.8169.5-73.6-165.8-11.200114.5A795A795-Q797 VanDerWaalsContact C-N 3.32Å; A795-Q797 PolarHBondContact O-N 2.78Å
798Q46.1Very low54.5Low167 Ų167106.6 Ų106.678%0.7860%0.604SS**SBendtrans-138.1125.4173.3-67.7-176.7-8.200110.3Y788Y788-Q798 VanDerWaalsContact CE2-O 3.3Å; Y788-Q798 WeakPolarHBondContact CE2-O 3.32Å; Y788-Q798 PolarHBondContact OH-O 3.44Å
799Q43.8Very low52.1Low172 Ų172109.8 Ų109.880%0.80463%0.629SS**  trans-73141.7169-70.1-179.4-39.600109.9
800P48Very low49.8Very low30 Ų30110.9 Ų110.920%0.19564%0.644CS.*  trans-63.5140.317126.7-33.4000110.4Y788 N802Y788-P800 HydrophobicContact CD1-CG 4.4Å; P800-N802 PolarHBondContact O-N 2.8Å
801P44.7Very low47.4Very low125 Ų125114.9 Ų114.981%0.81267%0.666SS**SBendtrans-62.2-12.8-168.5-2836000117.4
802N51.2Low45.2Very low129 Ų129117 Ų11769%0.6969%0.693SS**SBendtrans-150.393.5173.2-81.8-72.9000109.5P800P800-N802 PolarHBondContact O-N 2.8Å
803S47.6Very low43.5Very low84 Ų84121.6 Ų121.659%0.58771%0.709SS**PPolyproline II helixtrans-76.2138.6173.556.70000111.6
804F57.1Low42.5Very low122 Ų122118.4 Ų118.454%0.53571%0.705SS.*PPolyproline II helixtrans-68.5139.3171.9-69.1-83.7000111.1M782 K806M782-F804 HydrophobicContact CG-CE2 4.1Å; M782-F804 HydrophobicContact CG-CZ 4.05Å; F804-K806 PolarHBondContact O-N 3.31Å; F804-K806 VanDerWaalsContact O-N 3.14Å
805N49.5Very low41.6Very low161 Ų161119.5 Ų119.586%0.86170%0.7SS**PPolyproline II helixtrans-61.7116.6-180-86.4-36.6000111.4V807N805-V807 PolarHBondContact O-N 2.89Å; N805-V807 VanDerWaalsContact O-N 3.11Å
806K52.3Low41Very low172 Ų172122.8 Ų122.875%0.74872%0.716SS**  trans-67107.6176.7-68.8-176.2177.8-177.70110.6H789 F804 G808H789-K806 WeakPolarHBondContact NE2-CE 3.36Å; F804-K806 PolarHBondContact O-N 3.31Å; F804-K806 VanDerWaalsContact O-N 3.14Å; K806-G808 PolarHBondContact O-N 2.88Å; K806-G808 VanDerWaalsContact O-N 3.13Å
807V38.8Very low40.3Very low135 Ų135125.1 Ų125.182%0.81874%0.736SS**  trans-71.8103.2166.1-179.90000108.2N805 V809N805-V807 PolarHBondContact O-N 2.89Å; N805-V807 VanDerWaalsContact O-N 3.11Å; V807-V809 PolarHBondContact O-N 2.87Å; V807-V809 VanDerWaalsContact O-N 3.08Å
808G35.1Very low39.6Very low70 Ų70120.9 Ų120.972%0.72273%0.734SS**  trans-69.1100.9176.400000111.3K806 P810K806-G808 PolarHBondContact O-N 2.88Å; K806-G808 VanDerWaalsContact O-N 3.13Å; G808-P810 WeakPolarHBondContact O-CD 3.48Å
809V35Very low38.9Very low117 Ų117121.5 Ų121.571%0.70974%0.736SS**  trans-68.9122.3165-179.60000107.5V807 T811V807-V809 PolarHBondContact O-N 2.87Å; V807-V809 VanDerWaalsContact O-N 3.08Å; V809-T811 PolarHBondContact O-N 3.02Å
810P34Very low38.3Very low120 Ų120119.2 Ų119.278%0.77974%0.736SS**  trans-71102.8-177.427.5-33.8000110.5G808 A812G808-P810 WeakPolarHBondContact O-CD 3.48Å; P810-A812 PolarHBondContact O-N 2.97Å
811T32.7Very low37.6Very low116 Ų116123.9 Ų123.971%0.71277%0.767SS**  trans-66.6118166.743.10000109.1V809 N813V809-T811 PolarHBondContact O-N 3.02Å; T811-N813 VanDerWaalsContact C-N 3.32Å; T811-N813 PolarHBondContact O-N 3.29Å
812A32.1Very low36.8Very low100 Ų100122.4 Ų122.483%0.82677%0.765SS**  trans-7186.9177.900000110.4P810P810-A812 PolarHBondContact O-N 2.97Å
813N29.3Very low36.1Very low134 Ų134122.1 Ų122.172%0.71777%0.771SS**PPolyproline II helixtrans-62.2128.7171.2-73.4-13.7000109.4T811 T815T811-N813 VanDerWaalsContact C-N 3.32Å; T811-N813 PolarHBondContact O-N 3.29Å; N813-T815 PolarHBondContact O-N 3.4Å
814P33.7Very low35.3Very low121 Ų121128.4 Ų128.479%0.78679%0.787SS**PPolyproline II helixtrans-67.6122.6176.327.5-33.3000109.9
815T28.6Very low33.9Very low136 Ų136127.1 Ų127.183%0.83480%0.799SS**PPolyproline II helixtrans-67.2129.5175.220.80000110.8N813N813-T815 PolarHBondContact O-N 3.4Å
816P33.9Very low33.2Very low123 Ų123125.1 Ų125.180%0.79980%0.795SS**PPolyproline II helixtrans-59.3144.2168.2-23.334.5000111.3A818P816-A818 PolarHBondContact O-N 3.14Å
817A28.6Very low32Very low102 Ų102125.1 Ų125.184%0.84380%0.801SS**PPolyproline II helixtrans-64.4132.8-179.200000111.7
818A30Very low31.4Very low103 Ų103126.9 Ų126.985%0.85180%0.803SS**PPolyproline II helixtrans-73.7134.6179.500000111.8P816P816-A818 PolarHBondContact O-N 3.14Å
819Q32.2Very low31Very low179 Ų179128.5 Ų128.584%0.83680%0.803SS**PPolyproline II helixtrans-79.4148.2168.5-69.6-179.1-19.200110.7
820P30.9Very low30.7Very low124 Ų124132.3 Ų132.381%0.80581%0.813SS**PPolyproline II helixtrans-73.3130179.329.2-34000111.8
821P32.1Very low30.4Very low128 Ų128136.6 Ų136.683%0.83182%0.82SS**PPolyproline II helixtrans-81.1144.1178.931.8-34.4000113
822A28.6Very low30.1Very low94 Ų94140.2 Ų140.278%0.77783%0.829SS**PPolyproline II helixtrans-81.6153.117300000112.2
823P36.4Very low30.2Very low124 Ų124141.3 Ų141.381%0.80583%0.827SS**PPolyproline II helixtrans-84.5142.6-165.332.5-36.2000114.6
824K30.2Very low30.1Very low215 Ų215140.7 Ų140.794%0.93583%0.833SS**  trans-139.1155.5158.9-74.6-165.3175.4-179.90111.5
825A28.6Very low30Very low95 Ų95139.3 Ų139.379%0.78583%0.832SS**  trans-87.3168.5-163.500000113.9
826P34Very low30.3Very low119 Ų119138.3 Ų138.377%0.77383%0.828SS**  trans-95.9167.6-159.738.3-36.9000115.1
827I27Very low30.2Very low172 Ų172138.7 Ų138.788%0.88283%0.83SS**  trans-151.2155.6154.6-103.1150.5000109.4
828M25.5Very low30.4Very low173 Ų173142.7 Ų142.785%0.85283%0.832SS**  trans-72.2151.7-169.5-54.4121.358.900115.1
829S27.7Very low30.4Very low104 Ų104144.4 Ų144.473%0.72783%0.831SS**  -173.5123.9109.360.80000115.2
830Q28.3Very low30.4Very low196 Ų196141.7 Ų141.792%0.91683%0.829SS**  trans58.4127.7144.9-63.7179.9-11.700121.9
831F27.1Very low30.4Very low210 Ų210141.4 Ų141.492%0.92183%0.83SS**  trans-103148166.4-102-107.5000110.6
832Q27.6Very low30.4Very low193 Ų193144.5 Ų144.590%0.90283%0.833SS**  trans-145.5145.8149.1-118.1-177-19.800109.7
833P34.8Very low30.6Very low123 Ų123149.2 Ų149.280%0.79984%0.839SS**PPolyproline II helixtrans-98.7154.3-161.837.2-34.9000114.9
834S27.1Very low30.3Very low120 Ų120152.3 Ų152.384%0.83984%0.843SS**PPolyproline II helixtrans-102.5142.2169.354.40000112
835A31.3Very low30.5Very low92 Ų92147.9 Ų147.976%0.7684%0.836SS**PPolyproline II helixtrans-76159.6-177.100000113.9
836P33.9Very low30.8Very low116 Ų116149.3 Ų149.375%0.75384%0.838SS**PPolyproline II helixtrans-77.8152.6-176.631.6-36.5000114
837P33.3Very low30.5Very low130 Ų130152.1 Ų152.184%0.84484%0.843SS**PPolyproline II helixtrans-74.1148.7175.831.3-35.1000112.8
838Q30.9Very low30.9Very low187 Ų187147.8 Ų147.887%0.87483%0.826SS**PPolyproline II helixtrans-94.9161.8179.9-69.9-177.9-42.600113.3
839V30.3Very low31.2Very low138 Ų138145.1 Ų145.184%0.83682%0.824SS**PPolyproline II helixtrans-93.1130.8-176.4-174.50000111.2
840P33.3Very low31.1Very low123 Ų123148.2 Ų148.280%0.79983%0.829SS**PPolyproline II helixtrans-73.9136.6169.7-1530.6000112.3
841S31.3Very low31.1Very low118 Ų118148.3 Ų148.383%0.82583%0.827SS**PPolyproline II helixtrans-90.2153.8179.645.30000113.6
842Q32.3Very low31.4Very low192 Ų192144.4 Ų144.490%0.89782%0.821SS**PPolyproline II helixtrans-85.1156.1179.6-66.9176.4-21.300112.6
843Q30.9Very low31.7Very low193 Ų193141.6 Ų141.690%0.90282%0.819SS**  trans-109.7149.2170.3-71-177.8-25.800111.1
844Q31.8Very low31.3Very low190 Ų190144.1 Ų144.189%0.88882%0.82SS**PPolyproline II helixtrans-93.5155.4-178.4-68.5176.9-62.700112.8
845P34.2Very low31.4Very low121 Ų121144.6 Ų144.679%0.78682%0.817SS**PPolyproline II helixtrans-81.2158.2174.434.1-35.8000113.3
846P33.6Very low32.3Very low126 Ų126145.2 Ų145.282%0.81881%0.814SS**PPolyproline II helixtrans-91.3163.8-177.736.6-36.4000114.7
847M28.9Very low33.1Very low177 Ų177145 Ų14587%0.87281%0.812SS**  trans-130161.4170.7-87.5-71.6-81.100110.4
848P34.8Very low33.6Very low82 Ų82144.4 Ų144.453%0.53281%0.809SS.*  trans-81.2165.8-158.931.2-36.5000116.3
849S30.9Very low33.7Very low117 Ų117142.8 Ų142.882%0.81881%0.806SS**  trans-97157.1-172.8-176.60000113.7
850M26.6Very low34.5Very low168 Ų168141.7 Ų141.783%0.82880%0.802SS**  trans-139.5148.4166.4-81-150.2-7600112.5
851F28.3Very low34.1Very low198 Ų198139.1 Ų139.187%0.86880%0.797SS**  trans62.9118.4172.3-85.6-88.6000119.7
852T33.8Very low34.8Very low129 Ų129140.2 Ų140.279%0.79180%0.802SS**  trans-125.1151.5156.9520000108.9
853P34.2Very low34.6Very low133 Ų133134.6 Ų134.686%0.86480%0.795SS**  trans-115.6166.8131.8-9.529000113.6
854Q26.1Very low34.6Very low176 Ų176133.5 Ų133.582%0.82280%0.795SS**  trans-120.2162.7-171.1179.6-175.28.500109.5
855V29.3Very low35.4Very low130 Ų130129.6 Ų129.679%0.78879%0.786SS**  trans154.9139.9140.81570000113.4
856P50.2Low36.1Very low105 Ų105128.8 Ų128.868%0.68278%0.781SS**  trans-90.4-153.1173.141.4-40.2000111.2
857P49.1Very low35.8Very low112 Ų112128 Ų12873%0.72778%0.778SS**  cis-128.8-139.7-7.543.7-22.3000110.7
858P44.3Very low35.7Very low118 Ų118124.2 Ų124.277%0.76677%0.769SS**  cis-130.3-162.8-23.139.4-19.1000115.1
859N34.1Very low35.4Very low152 Ų152128.9 Ų128.981%0.81378%0.783SS**  trans-70.8179.6171.5-131.210.9000112.8
860P46.2Very low35.1Very low116 Ų116127.6 Ų127.675%0.75378%0.78SS**  cis-137.1-169.212.142.3-21.1000117.3
861G25.3Very low35Very low68 Ų68128.2 Ų128.270%0.70178%0.781SS**  trans-84-147.7176.600000115.4
862P46.1Very low35.8Very low142 Ų142124.5 Ų124.592%0.92278%0.776SS**  cis-137.3-178.120.143.7-26.3000116.9
863G27.5Very low36.6Very low74 Ų74123.4 Ų123.476%0.76377%0.771SS**  trans168.5132.9165.900000115.1
864L30.6Very low36.2Very low170 Ų170122.2 Ų122.289%0.8977%0.766SS**  trans-147.6175-172.7-79.1169.9000109.9
865P49.9Very low36.3Very low108 Ų108118.5 Ų118.570%0.70176%0.76SS**  cis-133.9-138.1-47.642.5-23.8000108.7
866P49.2Very low36.1Very low104 Ų104118.7 Ų118.768%0.67576%0.761SS**  cis-130.3-170.9-29.340-23000114.6
867S27.1Very low35Very low110 Ų110124.8 Ų124.877%0.76977%0.771SS**  trans78.2147.8154.476.50000119.5
868S26.9Very low34.9Very low97 Ų97124.2 Ų124.268%0.67877%0.767SS**  cis-169.3157.5-22.952.40000112.8
869H27Very low34Very low179 Ų179125 Ų12583%0.82977%0.77SS**  trans65.1125.2154.2-76.2-65.9000123.3
870A24.7Very low33.7Very low91 Ų91123.3 Ų123.375%0.75276%0.764SS**  91.7145.3126.400000123.4
871H25Very low32.7Very low181 Ų181128.6 Ų128.684%0.83877%0.769SS**  trans-67.8-170.2169.3-44.6-96.7000113.1
872P44.8Very low33.8Very low120 Ų120130.5 Ų130.578%0.77977%0.769SS**  cis-127.3-105.5-5.622.15.6000117.3
873P50.8Low32.8Very low105 Ų105129.5 Ų129.568%0.68277%0.766SS**  -138.4-176.8-123.245.6-26.5000118.9
874S26.1Very low32.6Very low109 Ų109136.8 Ų136.876%0.76277%0.772SS**  trans91.1139.1138.980.10000123.1
875S27.6Very low33.8Very low97 Ų97133.4 Ų133.468%0.67876%0.76SS**  trans77.2136.2136.3-157.80000123.9
876T26.5Very low32.7Very low134 Ų134137.1 Ų137.182%0.82277%0.768SS**  trans82.9137.7143.325.10000124.8
877R26.5Very low31.6Very low233 Ų233140.5 Ų140.588%0.87978%0.775SS**  trans-53.4179.7159.8-100.2-179.1165.2-170.7-3114.7
878P45.8Very low32.4Very low101 Ų101141 Ų14166%0.65678%0.775SS**  cis-141.3-165-23.138.1-17.6000114.8
879V27.1Very low32.4Very low135 Ų135140.2 Ų140.282%0.81877%0.774SS**  trans78.9158.1148153.30000120.1
880V27.4Very low32.4Very low115 Ų115138.3 Ų138.370%0.69778%0.775SS**  -168148.9-54.792.40000112.4
881R24.7Very low32.7Very low227 Ų227138 Ų13886%0.85777%0.773SS**  trans62.5174.5164.1-86.6-172.8174.1-169.1-0.9118.2
882P48Very low33.7Very low109 Ų109135.4 Ų135.471%0.70877%0.772SS**  cis-135.2178.9-37.437.5-21.9000113.8
883S25.2Very low32.7Very low121 Ų121133.5 Ų133.585%0.84677%0.767SS**  trans-170.2161.1143.3-86.10000114.2
884Y24.1Very low31.5Very low226 Ų226138 Ų13889%0.88678%0.776SS**  trans-146.6-171.4-179.7-100.3-63.2000106.6
885P54.6Low31.5Very low100 Ų100137.8 Ų137.865%0.64978%0.775SS**  -125.6-172.8-54.139.9-25.5000111.5
886Q28.1Very low31.5Very low186 Ų186137.8 Ų137.887%0.86978%0.775SS**  -178.2164.2127.4-100.9177.315.600114.3
887H25.4Very low31.5Very low175 Ų175140.4 Ų140.481%0.8178%0.777SS**  trans-109-162.3176.5-61.4-95.9000108.9
888P43.8Very low31.7Very low119 Ų119136.8 Ų136.877%0.77377%0.77SS**  cis-143.6173.7-3.444.5-25.2000118.8
889A26.5Very low31.7Very low81 Ų81137.8 Ų137.867%0.66978%0.777SS**  trans63.5124.213600000125.5
890T27.7Very low31.7Very low139 Ų139140.3 Ų140.385%0.85378%0.777SS**  71.214912657.50000122.2
891A30.2Very low31.8Very low85 Ų85143.4 Ų143.470%0.70278%0.784SS**  cis-163.3-132.5-12.100000109.8
892P45.9Very low32.7Very low126 Ų126137.9 Ų137.982%0.81878%0.777SS**  -92.2178.7-91.639.3-32.7000113.2
893A24.9Very low32Very low81 Ų81141.4 Ų141.467%0.66979%0.785SS**  cis-150.4-157.230.600000110.9
894F26Very low32.8Very low198 Ų198141.3 Ų141.387%0.86878%0.781SS**  cis-145.9-123.79.3-139.2-43.2000113.1
895S25.3Very low33Very low106 Ų106136.7 Ų136.774%0.74178%0.776SS**  trans-156.1171.8-168.2-45.20000111.5
896S27.1Very low31.9Very low97 Ų97137 Ų13768%0.67878%0.781SS**  cis-164.5159.817.665.10000116.3
897H26.9Very low32Very low189 Ų189134.2 Ų134.288%0.87578%0.782SS**  trans77.7143.6145.2-77.3-62000125
898Q30.9Very low32.1Very low156 Ų156129.6 Ų129.673%0.72978%0.781SS**  trans-131.4160.5167.3-153.8-171.82400106.3
899P45.1Very low31.3Very low122 Ų122127.5 Ų127.579%0.79278%0.781SS**  -158.4-161.897.241.7-19.9000116.4
900F27.4Very low32.2Very low188 Ų188128.8 Ų128.883%0.82578%0.783SS**  trans-81169.2-176.5-88.3-112.1000116.5
901Q29.2Very low32.1Very low180 Ų180131.5 Ų131.584%0.84178%0.783SS**  172.1-156.4102.2-138.8-173.59.700114.6
902P43.7Very low32Very low111 Ų111132.8 Ų132.872%0.72179%0.787SS**  -126.3-168.3-12946.3-28000120.2
903Q34.2Very low32.1Very low184 Ų184132.3 Ų132.386%0.8678%0.784SS**  trans-55159.9179.5-90.1-169.8-3.200118.2
904P41.9Very low32.2Very low118 Ų118135.6 Ų135.677%0.76680%0.796SS**  -160.3168.795.443.7-22.9000121.4
905V29Very low32.3Very low129 Ų129129.3 Ų129.378%0.78279%0.787SS**  trans20.1130.1161.6-90.50000129.1
906S29.8Very low33.8Very low108 Ų108130.3 Ų130.376%0.75579%0.791SS**  68.1150.5120.8-71.10000129
907S30.2Very low34.1Very low127 Ų127131.7 Ų131.789%0.88880%0.797SS**  trans81.2138.3157.1720000119.1
908G27.4Very low34.4Very low78 Ų78131 Ų13180%0.80480%0.796SS**  cis-165166.3-4.600000112.6
909G27.9Very low35.5Very low75 Ų75128.8 Ų128.877%0.77380%0.796SS**  trans-98.5-141.5-178.700000113.9
910P45.4Very low34.6Very low107 Ų107127.6 Ų127.670%0.69580%0.797SS**  cis-142.3-154.8-8.537.4-14000114.2
911F26.7Very low34.7Very low197 Ų197123 Ų12386%0.86479%0.794SS**  trans98.9149.1163.2-64.4-67.5000121.8
912S26.9Very low34.6Very low112 Ų112119.1 Ų119.178%0.78379%0.786SS**  trans-118-164.7165.6-32.20000107.4
913P48Very low33.9Very low115 Ų115121.7 Ų121.775%0.74779%0.793SS**  cis-124.9169.3-33.739.6-27.1000112
914T27.5Very low33.6Very low150 Ų150118.2 Ų118.292%0.9280%0.795SS**  trans-170.8153.9153.429.80000111.8
915G28.2Very low32.8Very low66 Ų66116 Ų11668%0.6880%0.795SS**  trans-119.2-145.8158.200000110.5
916P56.8Low34.4Very low128 Ų128115.6 Ų115.683%0.83180%0.795SS**  -73.2168.7-91.141.1-34.8000113.2
917P32.2Very low35Very low125 Ų125116.5 Ų116.581%0.81280%0.798SS**  -154.3167.598.539.6-21.3000117.8
918M34.5Very low34.9Very low174 Ų174118 Ų11886%0.85780%0.795SS**  trans-118168.3148.4-81.5-89.4-74.900106.2
919P52.9Low36.5Very low110 Ų110119.6 Ų119.671%0.71479%0.791SS**  cis-138.5-151.61.640.5-18.7000113.6
920A26.8Very low37.3Very low98 Ų98122 Ų12281%0.8179%0.793SS**  trans78.6158.7156.700000117.6
921A28.9Very low36.6Very low92 Ų92122.3 Ų122.376%0.7680%0.798SS**  cis-155.2-178.89.200000110.1
922S27.1Very low36.8Very low98 Ų98118.3 Ų118.369%0.68579%0.794SS**  cis-167.9166.5-3.9-135.40000112.9
923L29.2Very low36.9Very low164 Ų164118 Ų11886%0.85979%0.793SS**  trans51.5125.2144.7-69.8161.5000124.2
924A28.7Very low36Very low111 Ų111118.9 Ų118.992%0.91780%0.796SS**  -168.2153.7126.900000113.8
925G25.8Very low36.9Very low73 Ų73117.7 Ų117.775%0.75379%0.791SS**  trans142.3174.8176.400000111.8
926P60.7Low37Very low120 Ų120118.3 Ų118.378%0.77980%0.797SS**  cis-115.2-160.9-1338.9-21.1000112
927P43.3Very low35.6Very low126 Ų126116 Ų11682%0.81880%0.796SS**  -148.1-166.490.338.8-18.5000116.2
928L28.7Very low35.5Very low158 Ų158118.4 Ų118.483%0.82780%0.802SS**  trans-135-160.6-168.6-72165.5000110.8
929P60.8Low36.5Very low112 Ų112115.3 Ų115.373%0.72779%0.794SS**  -120.1-161.3-71.437.8-20.7000111.8
930P45.2Very low35.9Very low126 Ų126116.2 Ų116.282%0.81880%0.8SS**  -148.3178.986.638.2-18.3000116.9
931S30.6Very low36.3Very low114 Ų114117.7 Ų117.780%0.79780%0.799SS**  trans-85174.7-179.155.40000114.2
932S29.6Very low36.6Very low112 Ų112119.2 Ų119.278%0.78380%0.801SS**  cis-153.4-158.619.352.60000109.7
933S28.9Very low36.9Very low107 Ų107119.8 Ų119.875%0.74881%0.806SS**  cis-161-175.712.258.30000113.1
934T30.6Very low37.7Very low132 Ų132118.4 Ų118.481%0.8181%0.806SS**  trans-122.2-169.2172.855.20000110.5
935P46.2Very low37.6Very low126 Ų126116.5 Ų116.582%0.81880%0.797SS**  cis-119.8-160.9-10.841.9-24000111.7
936G29.7Very low38.1Very low79 Ų79119.7 Ų119.781%0.81480%0.802SS**  cis128.8137.6-6.200000114.1
937G26.9Very low37.7Very low79 Ų79119.4 Ų119.481%0.81480%0.8SS**  trans-168.4162.2-178.600000114.9
938L31.4Very low37.7Very low176 Ų176119 Ų11992%0.92180%0.798SS**  trans-131.4169.5-165.2-86.8172.2000113.8
939P55.4Low37.8Very low109 Ų109118.1 Ų118.171%0.70880%0.799SS**  trans-90.5176-160.638.1-39.2000115.5
940P38.8Very low36.3Very low128 Ų128115.9 Ų115.983%0.83180%0.797SS**  -149.1174.3113.140.8-25.8000116.7
941T35.4Very low35.5Very low129 Ų129119.8 Ų119.879%0.79180%0.801SS**  trans-89.4159.2165.156.30000110.9
942P35.9Very low35.8Very low124 Ų124120.1 Ų120.181%0.80580%0.798SS**  -154.6-177.974.142-20.9000117.4
943S32.6Very low36.6Very low111 Ų111120 Ų12078%0.77680%0.795SS**  trans-92.2-168.9164-38.80000110.7
944P47.7Very low36.9Very low134 Ų134119.9 Ų119.987%0.8779%0.793SS**  cis-133.8-176.2-9.142-24.8000114.9
945G26.5Very low37.2Very low71 Ų71120.1 Ų120.173%0.73280%0.795SS**  trans178.1135.416800000116
946V35.1Very low36.6Very low140 Ų140118.7 Ų118.785%0.84879%0.788SS**  trans-163.4158.6-167.4178.40000109.3
947P53.5Low36.9Very low114 Ų114123 Ų12374%0.7479%0.792SS**  cis-113.6-137.6-22.932.7-9.4000110.7
948P43.1Very low37.8Very low118 Ų118125.1 Ų125.177%0.76679%0.791SS**  cis-137.517947.737-14.6000118
949T30.7Very low37.9Very low139 Ų139121.9 Ų121.985%0.85379%0.789SS**  trans-68.7171.2170.749.30000114.3
950G29.2Very low36.8Very low66 Ų66120.1 Ų120.168%0.6879%0.791SS**  cis150.1173-1.800000113.3
951F28.5Very low36.3Very low208 Ų208122.8 Ų122.891%0.91280%0.795SS**  trans88.4156.8165.2-86.8-106.8000123.5
952V36.1Very low36.1Very low121 Ų121123 Ų12373%0.73380%0.796SS**  trans-96.1-174.6-161.5-70.40000113
953P47Very low37.5Very low110 Ų110122.4 Ų122.471%0.71479%0.792SS**  cis-158.6165.532.344.8-20.2000125
954S34.1Very low38.1Very low103 Ų103123.4 Ų123.472%0.7280%0.796SS**  trans70.8132.3138.6-64.80000127.8
955T36.8Very low37.1Very low137 Ų137121.9 Ų121.984%0.8479%0.788SS**  trans69.9150.7144.242.50000121.6
956S35Very low37.2Very low97 Ų97123.9 Ų123.968%0.67879%0.791SS**  cis-171.4147.9-2.648.90000116
957L36.2Very low37.1Very low169 Ų169126.1 Ų126.189%0.88579%0.792SS**  trans58.9171151.7-70171.9000120.5
958P44.4Very low36.4Very low123 Ų123127 Ų12780%0.79980%0.798SS**  cis-129.1-158.3142.9-23.9000115.7
959A34.1Very low35.6Very low108 Ų108124.8 Ų124.889%0.89380%0.797SS**  trans-157.8176.9178.200000111.6
960G31.7Very low35.6Very low72 Ų72123.1 Ų123.174%0.74280%0.798SS**  cis159.2145.5-400000112.1
961M28.4Very low36.3Very low185 Ų185126.4 Ų126.491%0.91181%0.807SS**  trans-156.7130.5-170.6-104.8177.117500119.2
962T32.4Very low36.6Very low132 Ų132120 Ų12081%0.8180%0.799SS**  trans40.8153142.347.60000127.7
963P63.7Low37.2Very low113 Ų113120.2 Ų120.273%0.73480%0.803SS**  trans-107.5-175.7-176.345-37.6000115.7
964P45.1Very low36.3Very low132 Ų132122.4 Ų122.486%0.85781%0.807SS**  -154.8-13296.743.2-21.4000116.6
965S28.4Very low35.9Very low101 Ų101125.9 Ų125.971%0.70681%0.809SS**  trans-127.6178.2-148.760.80000118.7
966S28.2Very low36.3Very low114 Ų114125 Ų12580%0.79781%0.806SS**  trans85.2159148.830.30000123.5
967Q32.7Very low35.9Very low186 Ų186123.3 Ų123.387%0.86980%0.804SS**  trans-69.6-178.1178.7-75.3-178.7-27.800114.3
968P39.8Very low35.5Very low133 Ų133119.2 Ų119.286%0.86479%0.789SS**  cis-139.3-157.117.142.4-19.8000116.2
969G25Very low34.6Very low72 Ų72122 Ų12274%0.74279%0.789SS**  trans-150.1-155.6-172.900000118.9
970A31.4Very low34.4Very low104 Ų104124.4 Ų124.486%0.8678%0.782SS**  trans72168.3-178.400000116.8
971P44.3Very low34.1Very low135 Ų135125.7 Ų125.788%0.87778%0.779SS**  cis-131.9-164.5-1.143.6-25.9000115.4
972G34.4Very low34Very low72 Ų72125.8 Ų125.874%0.74278%0.777SS**  trans-168.3-175.5171.800000114.3
973P48.4Very low33.5Very low126 Ų126122.4 Ų122.482%0.81877%0.769SS**  trans-130.9-168.3166.135.6-15.4000111.7
974I27.4Very low32.5Very low156 Ų156123.4 Ų123.480%0.878%0.775SS**  cis-138-131.111.7-42.2163.9000111.1
975F26.4Very low31.5Very low176 Ų176121.6 Ų121.677%0.77277%0.771SS**  trans-151.1179.2-169.4-98.6-102.7000110.5
976P44.9Very low32.1Very low120 Ų120122.4 Ų122.478%0.77977%0.774SS**  cis-118169.3-1.424.5-2.1000113.8
977G26Very low32.8Very low61 Ų61122.2 Ų122.263%0.62977%0.77SS**  cis118.6153.420.400000109.1
978S29.5Very low32.3Very low82 Ų82121.7 Ų121.757%0.57377%0.77SS**  cis-150.8-1719.9-67.20000107.7
979F25.3Very low31.4Very low182 Ų182119.4 Ų119.480%0.79876%0.762SS**  cis-155.7-173.532.4-85.3-76.5000113.1
980H28Very low31.3Very low159 Ų159121.1 Ų121.174%0.73676%0.763SS**  trans-36.5155.2170.8-54.7-28000118.4
981S25.8Very low30.9Very low98 Ų98121.5 Ų121.569%0.68576%0.759SS**  cis-174.3169.2-11.356.50000108.8
982Q27.2Very low29.8Very low188 Ų188119.8 Ų119.888%0.87975%0.751SS**  cis-139.7-1573-158.1126.4-87.200110.7
983G21.8Very low29.3Very low61 Ų61126 Ų12663%0.62976%0.758SS**  trans-138.3-160.5-176.800000114.1
984P42.3Very low29.1Very low133 Ų133125.2 Ų125.286%0.86475%0.752SS**  trans-123.2179.1-139.643.1-32.5000115.1
985A24.1Very low29.4Very low94 Ų94123.8 Ų123.878%0.77775%0.753SS**  trans168.6162.8145.400000112.9
986P41.4Very low29.2Very low118 Ų118124.4 Ų124.477%0.76676%0.761SS**  trans-110.7-148.1174.946.1-35.5000110
987P42.7Very low28.2Very low110 Ų110122.4 Ų122.471%0.71476%0.761SS**  cis-126-172.6-26.837.4-19.9000113
988M21.9Very low28.3Very low176 Ų176124.9 Ų124.987%0.86778%0.776SS**  trans137.9155.1139.1-73.7-149-68.100117.2
989A22.2Very low28Very low84 Ų84124.5 Ų124.569%0.69479%0.785SS**  trans60.396.3146.900000121.3
990S22.7Very low28Very low109 Ų109126 Ų12676%0.76279%0.787SS**  31.7134.1122.860.40000122.7
991S21.9Very low28.4Very low111 Ų111123.9 Ų123.978%0.77679%0.788SS**  trans116.8121.1137.977.50000119.7
992S22.3Very low28.5Very low100 Ų100127.8 Ų127.870%0.69980%0.795SS**  trans66.5100.3130.1-57.80000123.7
993F24.1Very low28.3Very low203 Ų203122.5 Ų122.589%0.8979%0.791SS**  trans73.7154.4136.2-72.4-76.3000121
994P42.8Very low28.4Very low108 Ų108123.4 Ų123.470%0.70180%0.8SS**  trans-108.3-176.8-165.143.6-38.3000114.9
995P33.8Very low27.9Very low126 Ų126123.8 Ų123.882%0.81880%0.803SS**  -142.9-161.7121.242-28.8000115.6
996M22.7Very low27.9Very low190 Ų190123.1 Ų123.194%0.93681%0.805SS**  trans-55.2169.2169.9-55.7165.7-178.900113.5
997G24.4Very low27Very low77 Ų77121.8 Ų121.879%0.79480%0.804SS**  cis153.8179.521.800000107.2
998A26.6Very low26.3Very low113 Ų113121.6 Ų121.693%0.93480%0.803SS**  cis-160.4168.5-2.700000109.7
999G24.9Very low26.4Very low75 Ų75118.1 Ų118.177%0.77380%0.802SS**  trans178.2115.517300000115.5
1000Y24Very low26.6Very low212 Ų212119 Ų11983%0.83181%0.81SS**  trans-113.6165.4176.3-99.8-87.4000109.5Q1002Y1000-Q1002 HydrophobicContact CD1-CG 4.33Å
1001P37.5Very low26.7Very low116 Ų116123.1 Ų123.175%0.75381%0.813SS**  cis-125.7151.344.612.214.3000115.7
1002Q27.4Very low26.8Very low180 Ų180123.9 Ų123.984%0.84182%0.816SS**  53.4134.291.8-70.3-169.6-18.700116.9Y1000Y1000-Q1002 HydrophobicContact CD1-CG 4.33Å
1003G24Very low26.8Very low77 Ų77128.7 Ų128.779%0.79483%0.825SS**  cis-160.4-1746.700000115.1
1004G23.2Very low26.9Very low79 Ų79124.8 Ų124.881%0.81482%0.819SS**  trans-87.5-147.8-169.200000116.5
1005P31.5Very low26Very low141 Ų141123.9 Ų123.992%0.91682%0.821SS**  cis-139.1-176.719.544.2-26.8000116.7
1006G24.1Very low25.6Very low81 Ų81124 Ų12484%0.83582%0.822SS**  trans133139.2154.400000117.9
1007A22.7Very low25.8Very low89 Ų89121.4 Ų121.474%0.73682%0.816SS**  trans-135.3178.1176.200000108.5
1008P28.9Very low25.8Very low107 Ų107124.4 Ų124.470%0.69582%0.819SS**  cis-134.7-175.51344.4-27.3000115.9
1009A23.8Very low25.7Very low103 Ų103123 Ų12385%0.85181%0.807SS**  trans-109.9143.7172.100000112.3
1010A24.8Very low25.6Very low103 Ų103124.7 Ų124.785%0.85181%0.805SS**  trans-105.4148.6177.700000112.1
1011K25.6Very low25.7Very low194 Ų194119.8 Ų119.884%0.84380%0.799SS**PPolyproline II helixtrans-100.7141.1179.2-64.3-179.1179.4-1790111.4
1012P24.5Very low25Very low127 Ų127120.6 Ų120.683%0.82580%0.804SS**PPolyproline II helixtrans-68.7155.5166.3-18.532.6000112.9
1013F21.7Very low25.1Very low202 Ų202118.3 Ų118.389%0.88680%0.803SS**PPolyproline II helixtrans-89.5143.8174.6-75-102.3000111.9
1014P26.7Very low25.3Very low120 Ų120116.9 Ų116.978%0.77979%0.788SS**PPolyproline II helixtrans-82.8144.8166.433.4-32.8000112.2
1015A22.9Very low25.4Very low89 Ų89123.1 Ų123.174%0.73679%0.793SS**PPolyproline II helixtrans-86.8165.1172.300000111.4
1016P26.4Very low25.5Very low130 Ų130119.3 Ų119.384%0.84476%0.762SS**PPolyproline II helixtrans-81.7136.1-155.530.8-35.4000115
1017V25.4Very low25.8Very low134 Ų134120.3 Ų120.381%0.81275%0.753SS**PPolyproline II helixtrans-100135.1161.5177.80000108.6A1019V1017-A1019 PolarHBondContact O-N 3.45Å
1018V25.5Very low26.7Very low141 Ų141123.4 Ų123.486%0.85575%0.746SS**  trans-68.7113.5174.5177.90000109
1019A23.5Very low26.8Very low83 Ų83124.8 Ų124.869%0.68675%0.747SS**PPolyproline II helixtrans-73140.9-177.800000112.1V1017V1017-A1019 PolarHBondContact O-N 3.45Å
1020P24.2Very low27.1Very low111 Ų111125.7 Ų125.772%0.72174%0.738SS**PPolyproline II helixtrans-65.2156.9161.330.7-34.4000110.2
1021P24.4Very low27.3Very low109 Ų109128.5 Ų128.571%0.70873%0.731SS**PPolyproline II helixtrans-61.8146.8179.626.4-34.9000111.7T1023P1021-T1023 PolarHBondContact O-N 3.18Å
1022P24.8Very low27.3Very low133 Ų133127.8 Ų127.886%0.86473%0.731SS**  trans-73.495.5-169.629-35.7000112.5G1024P1022-G1024 PolarHBondContact O-N 2.88Å; P1022-G1024 VanDerWaalsContact O-N 3.14Å
1023T28.5Very low27.3Very low132 Ų132127.6 Ų127.681%0.8173%0.731SS**  trans-68.4103.9160.451.30000108.9P1021 K1025P1021-T1023 PolarHBondContact O-N 3.18Å; T1023-K1025 PolarHBondContact O-N 3.1Å
1024G27.1Very low27.3Very low47 Ų47124.5 Ų124.549%0.48572%0.723SS.*PPolyproline II helixtrans-57.2124.3177.500000111.6P1022 F1026P1022-G1024 PolarHBondContact O-N 2.88Å; P1022-G1024 VanDerWaalsContact O-N 3.14Å; G1024-F1026 VanDerWaalsContact O-CD2 3.24Å; G1024-F1026 WeakPolarHBondContact O-CD2 3.15Å; G1024-F1026 PolarHBondContact O-N 2.82Å
1025K27.2Very low27.3Very low209 Ų209127.4 Ų127.491%0.90973%0.726SS**PPolyproline II helixtrans-72.9117.2171-68.8-173176.2-172.80108.8T1023T1023-K1025 PolarHBondContact O-N 3.1Å
1026F33.7Very low27.4Very low62 Ų62132.4 Ų132.427%0.27273%0.734SS.*PPolyproline II helixtrans-98.1119.2171.9-66.6-87.7000108.6M782 G1024 W1028 L1029M782-F1026 HydrophobicContact CB-CE1 4.05Å; M782-F1026 HydrophobicContact CB-CZ 4.25Å; M782-F1026 HydrophobicContact CE-CE1 4Å; M782-F1026 HydrophobicContact CE-CZ 3.76Å; M782-F1026 HydrophobicContact SD-CE1 3.99Å; M782-F1026 HydrophobicContact SD-CZ 4.33Å; G1024-F1026 VanDerWaalsContact O-CD2 3.24Å; G1024-F1026 WeakPolarHBondContact O-CD2 3.15Å; G1024-F1026 PolarHBondContact O-N 2.82Å; F1026-W1028 PolarHBondContact O-N 2.73Å; F1026-L1029 PolarHBondContact O-N 2.83Å
1027P28.7Very low27.3Very low101 Ų101128.9 Ų128.966%0.65672%0.722SS**G310 helixtrans-57.1-33.8-175.4-28.536.3000114.2L1029 N1030P1027-L1029 PolarHBondContact O-N 2.85Å; P1027-N1030 PolarHBondContact O-N 3.24Å; P1027-N1030 VanDerWaalsContact O-N 3.16Å
1028W42Very low27.4Very low154 Ų154128.8 Ų128.858%0.58372%0.724SS**G310 helixtrans-68.61.6-174.8-47.7108.7000116.1E749 F1026E749-W1028 HydrophobicContact CG-CH2 3.75Å; E749-W1028 HydrophobicContact CG-CZ2 3.97Å; E749-W1028 HydrophobicContact CG-CZ3 4.07Å; E749-W1028 VanDerWaalsContact OE2-CH2 3.29Å; E749-W1028 WeakPolarHBondContact OE2-CH2 3.45Å; F1026-W1028 PolarHBondContact O-N 2.73Å
1029L31.8Very low27.4Very low136 Ų136131.4 Ų131.471%0.71273%0.727SS**G310 helixtrans-108.4-3.1175.3-78.1166.4000113.5F1026 P1027F1026-L1029 PolarHBondContact O-N 2.83Å; P1027-L1029 PolarHBondContact O-N 2.85Å
1030N28.8Very low27.6Very low123 Ų123134.8 Ų134.866%0.65873%0.733SS**  trans-108.5108.2175.1-82.322.6000110.2P1027 E1032P1027-N1030 PolarHBondContact O-N 3.24Å; P1027-N1030 VanDerWaalsContact O-N 3.16Å; N1030-E1032 PolarHBondContact O-N 3.17Å
1031F29.6Very low27.7Very low162 Ų162133.1 Ų133.171%0.71174%0.736SS**  trans-82.1101.9162.7-71.7-79.9000109.1
1032E26.1Very low27.7Very low179 Ų179140 Ų14084%0.83675%0.748SS**  trans-79.1118.5170.8-70.6-175.7148.600109.8N1030N1030-E1032 PolarHBondContact O-N 3.17Å
1033C23.3Very low27.8Very low123 Ų123141 Ų14183%0.83175%0.747SS**  trans-98.3106.6170.8-1710000107.9H1035C1033-H1035 PolarHBondContact O-N 3.19Å; C1033-H1035 VanDerWaalsContact O-N 3.08Å
1034D23.4Very low27.9Very low136 Ų136141.7 Ų141.773%0.72775%0.745SS**  trans-75.798.5-163.9-165.63.9000112.8
1035H25.7Very low27.9Very low182 Ų182144.8 Ų144.884%0.84376%0.757SS**  trans-139.3113.5169.9-99.631000110.1C1033C1033-H1035 PolarHBondContact O-N 3.19Å; C1033-H1035 VanDerWaalsContact O-N 3.08Å
1036Q25.5Very low28Very low193 Ų193141 Ų14190%0.90275%0.754SS**  trans-73128.7-177.5-65177.5-3.100112
1037G24.1Very low27.7Very low57 Ų57142.5 Ų142.559%0.58878%0.777SS**  trans-154155.1170.100000110.5
1038P27.8Very low27.6Very low131 Ų131144 Ų14485%0.85178%0.784SS**  trans-63.9144.4-177.3-21.834.2000113
1039H25.4Very low26.9Very low196 Ų196148.4 Ų148.491%0.90780%0.801SS**  trans-77.9120.9172.7-79-82.4000111.3
1040D28.1Very low26.6Very low155 Ų155148.5 Ų148.583%0.82981%0.807SS**  trans-114.6152.9160.9-93.7-50.1000111.2
1041G25.8Very low26.5Very low76 Ų76145.5 Ų145.578%0.78481%0.806SS**  trans-80.5147.8-173.100000114.3
1042W25.1Very low26.4Very low254 Ų254144.3 Ų144.396%0.96281%0.814SS**  trans-80.5120.3178.9-87.453.4000113.3
1043N26.9Very low26.4Very low154 Ų154147.2 Ų147.282%0.82482%0.817SS**  trans-158.6155.5136.2-98.9-33.4000110
1044D29.1Very low26.8Very low145 Ų145151.4 Ų151.478%0.77582%0.821SS**SBendtrans63.8148.3-177.4-69.6-17.6000118
1045P28Very low27Very low113 Ų113154.5 Ų154.573%0.73483%0.828SS**PPolyproline II helixtrans-84.2154.6-174.634.1-36.1000113.3
1046P28.6Very low27.1Very low130 Ų130155.8 Ų155.884%0.84483%0.832SS**PPolyproline II helixtrans-69.1134.2-174.627.6-35.2000113.3
1047A27.5Very low27.3Very low92 Ų92154.1 Ų154.176%0.7683%0.828SS**PPolyproline II helixtrans-67.2151.4179.400000113.7R1049A1047-R1049 PolarHBondContact O-N 2.79Å
1048V28Very low27.7Very low134 Ų134156.7 Ų156.781%0.81283%0.834SS**  trans-66.1111.8176.9177.50000110.3T1050V1048-T1050 PolarHBondContact O-N 2.76Å; V1048-T1050 VanDerWaalsContact O-N 3.14Å
1049R26Very low28Very low246 Ų246158.1 Ų158.193%0.92884%0.835SS**  trans-73.4101.2169.3-77-170.3173.6-167.9-1.1110.7A1047A1047-R1049 PolarHBondContact O-N 2.79Å
1050T25.8Very low28.8Very low137 Ų137156.6 Ų156.684%0.8483%0.833SS**  trans-69.1125.5167.5410000110.5V1048V1048-T1050 PolarHBondContact O-N 2.76Å; V1048-T1050 VanDerWaalsContact O-N 3.14Å
1051G26.1Very low29Very low61 Ų61158.7 Ų158.763%0.62983%0.831SS**  trans-177.4116.3-18000000111.5R1053G1051-R1053 PolarHBondContact O-N 3.29Å
1052P28.6Very low29.6Very low136 Ų136161.4 Ų161.488%0.88383%0.832SS**  trans-78.9107.4-163.429.3-35.2000113.3
1053R25.5Very low30Very low240 Ų240154.1 Ų154.191%0.90682%0.818SS**  trans-104.996.2166.2-76.9-175168.9-178.5-3.5111G1051 K1055G1051-R1053 PolarHBondContact O-N 3.29Å; R1053-K1055 PolarHBondContact O-N 2.8Å
1054K31.7Very low30.2Very low212 Ų212152.5 Ų152.592%0.92282%0.816SS**  trans-60.7114.6169.2-68.6-178.8178.31790109.8
1055K27.4Very low30.5Very low201 Ų201149.6 Ų149.687%0.87481%0.812SS**  trans-109.9143.6158.6-82.3-171.2172.1-175.40108.8R1053R1053-K1055 PolarHBondContact O-N 2.8Å
1056K27.8Very low30.6Very low209 Ų209150.1 Ų150.191%0.90982%0.815SS**PPolyproline II helixtrans-71.6143178.1-63-178.8177.7-176.40110.1
1057L30.6Very low30.8Very low158 Ų158151.8 Ų151.883%0.82782%0.816SS**PPolyproline II helixtrans-75.4149.5163.2-77.5158.9000109.5
1058P32.2Very low30.9Very low111 Ų111153.5 Ų153.572%0.72182%0.816SS**PPolyproline II helixtrans-75.1140.6167.3-1329.5000111.5N1060P1058-N1060 VanDerWaalsContact C-N 3.33Å; P1058-N1060 PolarHBondContact O-N 3.4Å
1059D34.3Very low30.9Very low160 Ų160151.3 Ų151.386%0.85681%0.813SS**SBendtrans-7676.2178.8-60.9-66.2000112.2
1060N42.2Very low31.1Very low164 Ų164145.7 Ų145.788%0.87781%0.808SS**  trans-176.274.4154.4-97.4-34000111.2P1058P1058-N1060 VanDerWaalsContact C-N 3.33Å; P1058-N1060 PolarHBondContact O-N 3.4Å
1061Y32.5Very low31.2Very low199 Ų199146 Ų14678%0.7881%0.809SS**  trans-144.7112.6169.1-167.8-94.8000111.7
1062T38Very low31.3Very low133 Ų133151.1 Ų151.182%0.81682%0.819SS**  trans-107.1116.3176.528.20000109.8
1063P33.1Very low31.1Very low102 Ų102147.2 Ų147.266%0.66280%0.803SS**PPolyproline II helixtrans-75.2140.2179.930.3-33.9000111.3
1064P32.4Very low31.2Very low119 Ų119144.4 Ų144.477%0.77380%0.798SS**PPolyproline II helixtrans-71.2148.8173.630-34.3000111.8
1065A35.6Very low31Very low84 Ų84140.3 Ų140.369%0.69479%0.793SS**PPolyproline II helixtrans-75.6151.1-178.700000112.8
1066P29.2Very low31.1Very low124 Ų124137.3 Ų137.381%0.80579%0.791SS**PPolyproline II helixtrans-71.9132177.829.7-34.6000111.7
1067I33.5Very low31Very low166 Ų166136.3 Ų136.385%0.85179%0.79SS**PPolyproline II helixtrans-96.7133.7177.5-62.4176.8000109.8
1068T28.4Very low31Very low127 Ų127133.4 Ų133.478%0.77979%0.789SS**  trans-108.6125.9-176.1380000113
1069A29.1Very low30.9Very low89 Ų89134.1 Ų134.174%0.73679%0.793SS**  trans65.9-176.2164.800000115.3
1070P30.4Very low30.4Very low127 Ų127135.2 Ų135.283%0.82579%0.793SS**  -123162.8-101.434.1-16.4000114.7
1071V26Very low30.2Very low143 Ų143131.5 Ų131.587%0.86778%0.778SS**  trans-127132.7-179.1-1790000110.8
1072M28.3Very low30Very low169 Ų169129.6 Ų129.683%0.83378%0.776SS**  trans-153.8110.5179.1-129.8-67.1-77.200111.5
1073G26Very low29.4Very low54 Ų54128.6 Ų128.656%0.55777%0.766SS**  trans66.5169.4173.900000116.2
1074F27Very low29.1Very low182 Ų182131.2 Ų131.280%0.79877%0.769SS**  cis-159.4176.5-21.7-98.2-66.8000106.4
1075P27.3Very low28.9Very low126 Ų126131.8 Ų131.882%0.81877%0.77SS**  -132.9135.413035.8-27.5000113.4
1076V29.5Very low28.6Very low138 Ų138136.2 Ų136.284%0.83678%0.776SS**  trans-138.9149.7164.8177.40000106.6
1077E26.4Very low28.5Very low188 Ų188137 Ų13788%0.87978%0.779SS**  trans-72.7172.7-172.9-69.1177.396.300114.8
1078A29.8Very low28.4Very low97 Ų97134.5 Ų134.580%0.80277%0.774SS**  trans-46151.7-170.400000116.5
1079P30.7Very low28.6Very low126 Ų126134.6 Ų134.682%0.81878%0.776SS**  -143.6176.192.139.5-25.6000116.2
1080Q23.7Very low28.5Very low182 Ų182134.3 Ų134.385%0.8578%0.782SS**  trans-150.6163.9172.9-102.9-162.912.600109.3
1081P37.8Very low28.3Very low86 Ų86132.9 Ų132.956%0.55878%0.781SS**  cis-138.6-169.9-17.339.4-21.1000114.3
1082H28Very low28.7Very low159 Ų159131.7 Ų131.774%0.73678%0.776SS**  trans76.8144.3158.3-65.4-10.2000119.3
1083N25.3Very low28.4Very low112 Ų112133 Ų13360%0.59978%0.78SS**  cis-158.6157.3-12-108.5-10.7000112.8
1084H27.4Very low28.7Very low157 Ų157139.3 Ų139.373%0.72780%0.795SS**  trans17.9146.8156.8-63.2-76.6000121.8
1085T27.9Very low28.7Very low132 Ų132136.1 Ų136.181%0.8179%0.793SS**  cis-159.7164.648.6-430000112.9
1086Q28.1Very low28.5Very low176 Ų176137.1 Ų137.182%0.82279%0.791SS**  trans-92.3158.5179.9-57.7162.3-49.700113.4
1087V28.6Very low28.6Very low142 Ų142137 Ų13786%0.86179%0.79SS**  trans-177.7153.8131.6139.70000110.2
1088P30Very low28.7Very low113 Ų113136.6 Ų136.673%0.73479%0.789SS**  trans-113.9-143.3-159.939.8-22.5000114.3
1089P33.7Very low28.7Very low128 Ų128139.7 Ų139.783%0.83179%0.791SS**  -114.2150.9-115.536-18.8000116.2
1090G26.2Very low28.4Very low83 Ų83140.9 Ų140.986%0.85679%0.789SS**  trans-178142.2169.700000111.3
1091A27.4Very low28.7Very low98 Ų98139.7 Ų139.781%0.8178%0.784SS**  trans-118.8174.8-176.700000110.7
1092P33.6Very low28.3Very low118 Ų118145 Ų14577%0.76680%0.801SS**  cis-128.3157.7-11.138-23.6000114.2
1093Q23Very low28.3Very low197 Ų197144.5 Ų144.592%0.92180%0.803SS**  trans-161.3168.6153.5-117.3164.731.100113
1094E32Very low28.6Very low186 Ų186144.8 Ų144.887%0.86981%0.811SS**  trans-81.5151-161.9-53177.4133.800115.6
1095P26.1Very low28.7Very low114 Ų114141.9 Ų141.974%0.7481%0.814SS**  trans-118.3119.6135.733.5-24.6000109.4
1096N24.2Very low28.7Very low148 Ų148144.9 Ų144.979%0.79182%0.819SS**  57.8114.171.2-1622.7000112.9
1097V30.1Very low28.9Very low134 Ų134147.8 Ų147.881%0.81282%0.822SS**  trans-106.3116.1-166.6177.70000111.1
1098Q28.4Very low29.3Very low181 Ų181147.1 Ų147.185%0.84682%0.819SS**  trans-133.7106.8163.5-75.7-166.2-13.800113
1099L30.2Very low29.6Very low161 Ų161150.9 Ų150.984%0.84383%0.826SS**  trans46.398.1133.4-165.477.4000119.2
1100L25.6Very low30.1Very low152 Ų152151.1 Ų151.180%0.79682%0.816SS**  trans177.8145142.7-94.2161.3000106.5
1101Q29.2Very low31.4Very low156 Ų156155.1 Ų155.173%0.72981%0.81SS**  cis-152.9129.8-9.6-167.116811.700107.8
1102Q30Very low32.9Very low198 Ų198159 Ų15993%0.92581%0.812SS**PPolyproline II helixtrans-79.4125.7171.6-78.6-177.4-24.500110
1103L26.6Very low34.6Very low149 Ų149154.1 Ų154.178%0.7878%0.779SS**PPolyproline II helixtrans-100.7153.8167.3-77171.5000110.2
1104P31.9Very low37Very low117 Ų117146.4 Ų146.476%0.7675%0.746SS**PPolyproline II helixtrans-88.2149.4-142.532-36.5000114.8
1105A29.7Very low38.8Very low96 Ų96141.8 Ų141.879%0.79374%0.739SS**PPolyproline II helixtrans-65.7134.816500000110.8R1107A1105-R1107 PolarHBondContact O-N 2.87Å
1106E29.2Very low40.9Very low196 Ų196143.9 Ų143.992%0.91674%0.739SS**PPolyproline II helixtrans-66.5124.3-177.3-165.3167-15700110.9V1108E1106-V1108 PolarHBondContact O-N 3.13Å
1107R31.5Very low43.6Very low236 Ų236138.2 Ų138.289%0.89171%0.708SS**  trans-82.8113.8-178.6-75.5-175.9175.4178.2-0.7110.3A1105 E1109A1105-R1107 PolarHBondContact O-N 2.87Å; R1107-E1109 PolarHBondContact O-N 2.63Å
1108V37.2Very low46Very low129 Ų129135.5 Ų135.578%0.78269%0.687SS**  trans-61.4124.6162.3-179.30000108.9E1106 Q1110E1106-V1108 PolarHBondContact O-N 3.13Å; V1108-Q1110 PolarHBondContact O-N 3.08Å
1109E36.6Very low48.6Very low192 Ų192130.6 Ų130.690%0.89767%0.67SS**  trans-67.2112.1176-65.8-168.7142.300110.4R1107R1107-E1109 PolarHBondContact O-N 2.63Å
1110Q44.1Very low51.3Low132 Ų132123 Ų12362%0.61763%0.629SS**PPolyproline II helixtrans-83.7125.6178.7-64.9-179.2-13.600109.6V1108V1108-Q1110 PolarHBondContact O-N 3.08Å
1111K52.4Low54.2Low168 Ų168119.1 Ų119.173%0.7361%0.606SS**PPolyproline II helixtrans-51.9146168.6-75.9-177175.8178.50110.7R1159K1111-R1159 WeakPolarHBondContact O-CD 3.43Å; K1111-R1159 WeakPolarHBondContact O-CG 3.48Å
1112E59.3Low56.9Low180 Ų180116 Ų11684%0.84160%0.598SS**PPolyproline II helixtrans-69.1149174.7-59.7-167.9146.700111.4
1113I69.6Low59.7Low14 Ų14107.7 Ų107.77%0.07256%0.561CS.*PPolyproline II helixtrans-72.5130.8173.4-63.5163.4000107.7A1115 H1117 M1118 K1121 R1159I1113-A1115 PolarHBondContact O-N 2.81Å; I1113-H1117 HydrophobicContact CG2-CB 4.1Å; I1113-M1118 HydrophobicContact CB-CE 3.92Å; I1113-M1118 HydrophobicContact CB-SD 4.48Å; I1113-K1121 HydrophobicContact CD1-CD 3.72Å; I1113-R1159 HydrophobicContact CB-CG 4.44Å; I1113-R1159 HydrophobicContact CG1-CG 3.54Å
1114P73.2Confident62.7Low36 Ų36100.7 Ų100.723%0.23452%0.524CS..PPolyproline II helixtrans-52.2135175.3-26.834.7000111.9E1116 H1117 M1118 L1158 Q1161P1114-E1116 PolarHBondContact O-N 2.71Å; P1114-H1117 PolarHBondContact O-N 3.42Å; P1114-M1118 PolarHBondContact O-N 2.9Å; P1114-L1158 WeakPolarHBondContact CD-O 3.45Å; P1114-Q1161 HydrophobicContact CG-CG 4.36Å
1115A68.9Low65.4Low88 Ų8897.5 Ų97.573%0.72750%0.501SS*.G310 helixtrans-53.4-35.8-170.400000113.6I1113 H1117 M1118I1113-A1115 PolarHBondContact O-N 2.81Å; A1115-H1117 PolarHBondContact O-N 2.83Å; A1115-M1118 WeakPolarHBondContact O-CB 3.13Å; A1115-M1118 PolarHBondContact O-N 3.25Å
1116E71.9Confident68.2Low159 Ų15995.3 Ų95.374%0.74348%0.48SS*.G310 helixtrans-56.8-32.2176.7-60.2-177.6-174.400113.6P1114 H1172P1114-E1116 PolarHBondContact O-N 2.71Å; E1116-H1172 PolarHBondContact O-NE2 3.1Å
1117H79.6Confident71Confident29 Ų2986 Ų8613%0.13444%0.436CS..G310 helixtrans-99.6-4.8-178-62.4-50000114I1113 P1114 A1115 V1119 L1120 L1158 H1172I1113-H1117 HydrophobicContact CG2-CB 4.1Å; P1114-H1117 PolarHBondContact O-N 3.42Å; A1115-H1117 PolarHBondContact O-N 2.83Å; H1117-V1119 PolarHBondContact O-N 2.81Å; H1117-V1119 VanDerWaalsContact O-N 3.16Å; H1117-L1120 HydrophobicContact CB-CD1 4.33Å; H1117-L1120 WeakPolarHBondContact O-CB 3.08Å; H1117-L1120 PolarHBondContact O-N 2.68Å; H1117-L1158 HydrophobicContact CB-CD2 4.07Å; H1117-H1172 AromaticContact ND1-CD2 3.92Å; H1117-H1172 AromaticContact ND1-NE2 3.97Å
1118M81.7Confident73.7Confident77 Ų7775.2 Ų75.238%0.37940%0.396SS..Hα-helixtrans-57.9-32.9-179.9-164.264.568.200112.4I1113 P1114 A1115 L1120 K1121 T1122I1113-M1118 HydrophobicContact CB-CE 3.92Å; I1113-M1118 HydrophobicContact CB-SD 4.48Å; P1114-M1118 PolarHBondContact O-N 2.9Å; A1115-M1118 WeakPolarHBondContact O-CB 3.13Å; A1115-M1118 PolarHBondContact O-N 3.25Å; M1118-L1120 VanDerWaalsContact C-N 3.26Å; M1118-L1120 PolarHBondContact O-N 2.87Å; M1118-K1121 WeakPolarHBondContact O-CB 3.27Å; M1118-K1121 PolarHBondContact O-N 2.82Å; M1118-K1121 VanDerWaalsContact O-N 3.09Å; M1118-T1122 PolarHBondContact O-N 2.98Å; M1118-T1122 PolarHBondContact O-OG1 3.08Å
1119V83.1Confident76.1Confident78 Ų7875 Ų7547%0.47339%0.387SS..Hα-helixtrans-57.5-35.8176.3-177.40000112.5H1117 K1121 T1122 T1123H1117-V1119 PolarHBondContact O-N 2.81Å; H1117-V1119 VanDerWaalsContact O-N 3.16Å; V1119-K1121 VanDerWaalsContact C-N 3.34Å; V1119-K1121 PolarHBondContact O-N 2.88Å; V1119-T1122 PolarHBondContact O-N 2.94Å; V1119-T1123 HydrophobicContact CG1-CG2 4.26Å; V1119-T1123 WeakPolarHBondContact O-CB 3.43Å; V1119-T1123 WeakPolarHBondContact O-CG2 3.49Å; V1119-T1123 PolarHBondContact O-N 2.85Å; V1119-T1123 PolarHBondContact O-OG1 3.4Å
1120L85.6Confident78.4Confident0 Ų069.4 Ų69.40%036%0.358CS..Hα-helixtrans-62.4-43.9176.9-59.8179.1000110.7H1117 M1118 T1123 F1124 L1158 L1171 H1172H1117-L1120 HydrophobicContact CB-CD1 4.33Å; H1117-L1120 WeakPolarHBondContact O-CB 3.08Å; H1117-L1120 PolarHBondContact O-N 2.68Å; M1118-L1120 VanDerWaalsContact C-N 3.26Å; M1118-L1120 PolarHBondContact O-N 2.87Å; L1120-T1123 PolarHBondContact O-OG1 2.62Å; L1120-F1124 HydrophobicContact CB-CD2 4.48Å; L1120-F1124 HydrophobicContact CB-CE2 4.29Å; L1120-F1124 HydrophobicContact CD2-CE2 4.46Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.44Å; L1120-F1124 WeakPolarHBondContact O-CG 3.36Å; L1120-F1124 PolarHBondContact O-N 3.42Å; L1120-F1124 VanDerWaalsContact O-N 3.09Å; L1120-L1158 HydrophobicContact CD1-CD1 4Å; L1120-L1158 HydrophobicContact CD1-CD2 4.2Å; L1120-L1171 HydrophobicContact CD1-CB 4.24Å; L1120-L1171 HydrophobicContact CD2-CB 4.31Å; L1120-L1171 WeakPolarHBondContact CD2-O 3.4Å; L1120-H1172 HydrophobicContact CD2-CB 4.47Å
1121K86Confident80.3Confident71 Ų7163.1 Ų63.131%0.30933%0.328SS..Hα-helixtrans-64.2-52.1176.8-179.5170.2-179.2-176.10111.4I1113 M1118 V1119 T1123 F1124 D1125 Y1155I1113-K1121 HydrophobicContact CD1-CD 3.72Å; M1118-K1121 WeakPolarHBondContact O-CB 3.27Å; M1118-K1121 PolarHBondContact O-N 2.82Å; M1118-K1121 VanDerWaalsContact O-N 3.09Å; V1119-K1121 VanDerWaalsContact C-N 3.34Å; V1119-K1121 PolarHBondContact O-N 2.88Å; K1121-T1123 VanDerWaalsContact C-N 3.31Å; K1121-T1123 PolarHBondContact O-N 2.99Å; K1121-F1124 PolarHBondContact O-N 2.65Å; K1121-D1125 WeakPolarHBondContact CE-OD2 3.45Å; K1121-D1125 WeakPolarHBondContact CG-OD2 3.41Å; K1121-D1125 VanDerWaalsContact O-CB 3.28Å; K1121-D1125 WeakPolarHBondContact O-CB 3.43Å; K1121-D1125 PolarHBondContact O-N 3.24Å; K1121-Y1155 HydrophobicContact CB-CD1 4.1Å; K1121-Y1155 HydrophobicContact CB-CE1 3.7Å; K1121-Y1155 HydrophobicContact CD-CD1 4.5Å; K1121-Y1155 HydrophobicContact CD-CD2 4.25Å; K1121-Y1155 HydrophobicContact CD-CE2 4.27Å; K1121-Y1155 HydrophobicContact CD-CG 4.37Å; K1121-Y1155 HydrophobicContact CG-CD1 4.28Å; K1121-Y1155 HydrophobicContact CG-CD2 4.38Å; K1121-Y1155 HydrophobicContact CG-CE1 3.89Å; K1121-Y1155 HydrophobicContact CG-CE2 3.95Å
1122T87.1Confident81.9Confident91 Ų9158 Ų5856%0.55831%0.307SS*.Hα-helixtrans-58.6-40.7-179.2-50.90000112.4M1118 V1119 S1126M1118-T1122 PolarHBondContact O-N 2.98Å; M1118-T1122 PolarHBondContact O-OG1 3.08Å; V1119-T1122 PolarHBondContact O-N 2.94Å; T1122-S1126 WeakPolarHBondContact O-CB 3.33Å; T1122-S1126 PolarHBondContact O-N 2.94Å; T1122-S1126 VanDerWaalsContact O-N 3.09Å
1123T87.6Confident83Confident24 Ų2456.6 Ų56.615%0.14730%0.304CS..Hα-helixtrans-73.5-41.4-179.450.90000113.4V1119 L1120 K1121 L1127 S1175V1119-T1123 HydrophobicContact CG1-CG2 4.26Å; V1119-T1123 WeakPolarHBondContact O-CB 3.43Å; V1119-T1123 WeakPolarHBondContact O-CG2 3.49Å; V1119-T1123 PolarHBondContact O-N 2.85Å; V1119-T1123 PolarHBondContact O-OG1 3.4Å; L1120-T1123 PolarHBondContact O-OG1 2.62Å; K1121-T1123 VanDerWaalsContact C-N 3.31Å; K1121-T1123 PolarHBondContact O-N 2.99Å; T1123-L1127 WeakPolarHBondContact O-CB 3.49Å; T1123-L1127 PolarHBondContact O-N 2.83Å; T1123-S1175 PolarHBondContact OG1-OG 3.34Å
1124F90.5Very high83.6Confident1 Ų158.4 Ų58.40%0.00432%0.321CS..Hα-helixtrans-75.4-40.5178.4-61.9-43.5000112.6L1120 K1121 S1126 L1127 V1128 L1151 L1154 I1174 V1178 L1209L1120-F1124 HydrophobicContact CB-CD2 4.48Å; L1120-F1124 HydrophobicContact CB-CE2 4.29Å; L1120-F1124 HydrophobicContact CD2-CE2 4.46Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.44Å; L1120-F1124 WeakPolarHBondContact O-CG 3.36Å; L1120-F1124 PolarHBondContact O-N 3.42Å; L1120-F1124 VanDerWaalsContact O-N 3.09Å; K1121-F1124 PolarHBondContact O-N 2.65Å; F1124-S1126 VanDerWaalsContact C-N 3.33Å; F1124-S1126 PolarHBondContact O-N 3.22Å; F1124-L1127 PolarHBondContact O-N 3.47Å; F1124-V1128 WeakPolarHBondContact O-CG2 3.09Å; F1124-V1128 PolarHBondContact O-N 2.73Å; F1124-L1151 HydrophobicContact CB-CD1 4.19Å; F1124-L1154 HydrophobicContact CD2-CD2 4.24Å; F1124-L1154 HydrophobicContact CE2-CD2 4.22Å; F1124-I1174 HydrophobicContact CE1-CG2 4.16Å; F1124-I1174 HydrophobicContact CZ-CG2 4.15Å; F1124-V1178 HydrophobicContact CE1-CG2 4.25Å; F1124-L1209 HydrophobicContact CD1-CD2 3.85Å; F1124-L1209 HydrophobicContact CD2-CD2 4.03Å; F1124-L1209 HydrophobicContact CE1-CD2 3.8Å; F1124-L1209 HydrophobicContact CE2-CD2 3.98Å; F1124-L1209 HydrophobicContact CG-CD2 3.99Å; F1124-L1209 HydrophobicContact CZ-CD1 4.45Å; F1124-L1209 HydrophobicContact CZ-CD2 3.88Å
1125D88.8Confident84Confident51 Ų5156.8 Ų56.827%0.27331%0.311SS..Hα-helixtrans-62.5-41174.3-70.5-10.4000110.9K1121 V1128 Q1129 Y1155K1121-D1125 WeakPolarHBondContact CE-OD2 3.45Å; K1121-D1125 WeakPolarHBondContact CG-OD2 3.41Å; K1121-D1125 VanDerWaalsContact O-CB 3.28Å; K1121-D1125 WeakPolarHBondContact O-CB 3.43Å; K1121-D1125 PolarHBondContact O-N 3.24Å; D1125-V1128 PolarHBondContact O-N 3.43Å; D1125-Q1129 WeakPolarHBondContact O-CG 3.34Å; D1125-Q1129 PolarHBondContact O-N 3.33Å; D1125-Y1155 WeakPolarHBondContact OD1-CE2 3.22Å; D1125-Y1155 PolarHBondContact OD1-OH 3.5Å
1126S87.5Confident84.1Confident50 Ų5056.3 Ų56.335%0.3532%0.315SS..Hα-helixtrans-63.4-40173.1178.30000112.5T1122 F1124 Q1129 R1130T1122-S1126 WeakPolarHBondContact O-CB 3.33Å; T1122-S1126 PolarHBondContact O-N 2.94Å; T1122-S1126 VanDerWaalsContact O-N 3.09Å; F1124-S1126 VanDerWaalsContact C-N 3.33Å; F1124-S1126 PolarHBondContact O-N 3.22Å; S1126-Q1129 PolarHBondContact O-N 2.58Å; S1126-R1130 WeakPolarHBondContact O-CG 3.12Å; S1126-R1130 PolarHBondContact O-N 3.11Å
1127L87.8Confident84.4Confident0 Ų052 Ų520%030%0.297CS..Hα-helixtrans-64.6-41.9176.1-174.364.5000111.6T1123 F1124 C1131 V1178 Y1183 L1212 A1216T1123-L1127 WeakPolarHBondContact O-CB 3.49Å; T1123-L1127 PolarHBondContact O-N 2.83Å; F1124-L1127 PolarHBondContact O-N 3.47Å; L1127-C1131 VanDerWaalsContact O-CB 3.31Å; L1127-C1131 WeakPolarHBondContact O-CB 3.3Å; L1127-C1131 PolarHBondContact O-N 3.21Å; L1127-C1131 PolarHBondContact O-SG 2.84Å; L1127-V1178 HydrophobicContact CB-CG1 4.12Å; L1127-V1178 HydrophobicContact CD1-CG1 4.32Å; L1127-V1178 HydrophobicContact CD2-CG1 3.77Å; L1127-V1178 HydrophobicContact CD2-CG2 3.99Å; L1127-V1178 HydrophobicContact CG-CG1 4.29Å; L1127-Y1183 HydrophobicContact CD1-CE1 3.75Å; L1127-Y1183 VanDerWaalsContact CD1-OH 3.3Å; L1127-Y1183 WeakPolarHBondContact CD1-OH 3.46Å; L1127-Y1183 HydrophobicContact CD2-CE1 4.06Å; L1127-L1212 HydrophobicContact CB-CD2 4.48Å; L1127-L1212 HydrophobicContact CD2-CD1 4.48Å; L1127-L1212 HydrophobicContact CD2-CD2 3.92Å; L1127-L1212 HydrophobicContact CD2-CG 3.78Å; L1127-L1212 HydrophobicContact CG-CD1 4.37Å; L1127-L1212 HydrophobicContact CG-CD2 4.33Å; L1127-L1212 HydrophobicContact CG-CG 4.18Å; L1127-A1216 HydrophobicContact CD1-CB 3.82Å; L1127-A1216 HydrophobicContact CD2-CB 4.38Å; L1127-A1216 HydrophobicContact CG-CB 4.39Å
1128V88.7Confident84.4Confident9 Ų955 Ų556%0.05532%0.319CS..Hα-helixtrans-59.4-49173.9172.80000110.4F1124 D1125 C1131 Q1132 L1151 L1212F1124-V1128 WeakPolarHBondContact O-CG2 3.09Å; F1124-V1128 PolarHBondContact O-N 2.73Å; D1125-V1128 PolarHBondContact O-N 3.43Å; V1128-C1131 PolarHBondContact O-N 3.25Å; V1128-Q1132 HydrophobicContact CG1-CG 4.27Å; V1128-Q1132 WeakPolarHBondContact O-CB 3.36Å; V1128-Q1132 VanDerWaalsContact O-CG 3.3Å; V1128-Q1132 WeakPolarHBondContact O-CG 3.38Å; V1128-Q1132 PolarHBondContact O-N 3.04Å; V1128-L1151 HydrophobicContact CG2-CD1 3.83Å; V1128-L1212 HydrophobicContact CG2-CD1 3.79Å; V1128-L1212 HydrophobicContact CG2-CD2 3.73Å; V1128-L1212 HydrophobicContact CG2-CG 4.43Å
1129Q87.5Confident84.2Confident126 Ų12657 Ų5759%0.58933%0.328SS*.Hα-helixtrans-61.7-47.8179.3-73.3-178.1-200112.7D1125 S1126 C1131 Q1132 L1133D1125-Q1129 WeakPolarHBondContact O-CG 3.34Å; D1125-Q1129 PolarHBondContact O-N 3.33Å; S1126-Q1129 PolarHBondContact O-N 2.58Å; Q1129-C1131 VanDerWaalsContact C-N 3.33Å; Q1129-C1131 PolarHBondContact O-N 3.48Å; Q1129-Q1132 PolarHBondContact O-N 2.73Å; Q1129-Q1132 VanDerWaalsContact O-N 3.17Å; Q1129-L1133 WeakPolarHBondContact O-CG 3.47Å; Q1129-L1133 PolarHBondContact O-N 3.46Å
1130R85.1Confident84.2Confident73 Ų7354.9 Ų54.928%0.27532%0.315SS..Hα-helixtrans-58.9-44.3176.6-72.4-169.6-78.7144.1-8.6111.5S1126 Q1132 L1133 A1134 Y1183 V1221S1126-R1130 WeakPolarHBondContact O-CG 3.12Å; S1126-R1130 PolarHBondContact O-N 3.11Å; R1130-Q1132 PolarHBondContact O-N 2.69Å; R1130-L1133 PolarHBondContact O-N 3.37Å; R1130-A1134 WeakPolarHBondContact O-CB 3.03Å; R1130-A1134 PolarHBondContact O-N 3.05Å; R1130-Y1183 PolarHBondContact NH1-OH 3.29Å; R1130-V1221 HydrophobicContact CB-CG1 3.38Å; R1130-V1221 HydrophobicContact CG-CG1 4.39Å; R1130-V1221 VanDerWaalsContact NH1-C 3.27Å; R1130-V1221 PolarHBondContact NH1-O 3.19Å; R1130-V1221 PolarHBondContact NH1-OXT 3.01Å
1131C84.6Confident84.1Confident0 Ų059.2 Ų59.20%033%0.334CS..Hα-helixtrans-64.4-37.2175.6-72.60000113.1L1127 V1128 Q1129 L1133 A1134 A1135 L1144 L1219L1127-C1131 VanDerWaalsContact O-CB 3.31Å; L1127-C1131 WeakPolarHBondContact O-CB 3.3Å; L1127-C1131 PolarHBondContact O-N 3.21Å; L1127-C1131 PolarHBondContact O-SG 2.84Å; V1128-C1131 PolarHBondContact O-N 3.25Å; Q1129-C1131 VanDerWaalsContact C-N 3.33Å; Q1129-C1131 PolarHBondContact O-N 3.48Å; C1131-L1133 VanDerWaalsContact C-N 3.33Å; C1131-A1134 PolarHBondContact O-N 3.31Å; C1131-A1135 VanDerWaalsContact O-CB 3.24Å; C1131-A1135 WeakPolarHBondContact O-CB 2.97Å; C1131-A1135 PolarHBondContact O-N 3.04Å; C1131-L1144 HydrophobicContact CB-CD1 3.74Å; C1131-L1144 HydrophobicContact CB-CD2 3.66Å; C1131-L1144 HydrophobicContact CB-CG 4.36Å; C1131-L1144 WeakPolarHBondContact O-CD1 3.37Å; C1131-L1219 HydrophobicContact CB-CD1 4.3Å
1132Q85.1Confident83.9Confident62 Ų6265.2 Ų65.229%0.2935%0.354SS..Hα-helixtrans-68.9-29.9177.3-76.1178.40.800113V1128 Q1129 R1130 K1141 L1144V1128-Q1132 HydrophobicContact CG1-CG 4.27Å; V1128-Q1132 WeakPolarHBondContact O-CB 3.36Å; V1128-Q1132 VanDerWaalsContact O-CG 3.3Å; V1128-Q1132 WeakPolarHBondContact O-CG 3.38Å; V1128-Q1132 PolarHBondContact O-N 3.04Å; Q1129-Q1132 PolarHBondContact O-N 2.73Å; Q1129-Q1132 VanDerWaalsContact O-N 3.17Å; R1130-Q1132 PolarHBondContact O-N 2.69Å; Q1132-K1141 WeakPolarHBondContact O-CE 3.44Å; Q1132-K1141 PolarHBondContact O-NZ 2.84Å; Q1132-L1144 HydrophobicContact CG-CB 3.74Å; Q1132-L1144 HydrophobicContact CG-CD1 4.2Å
1133L83.8Confident83.6Confident149 Ų14965.7 Ų65.778%0.7835%0.349SS*.Hα-helixtrans-75.1-43.9172.7-68.4170.5000111.6Q1129 R1130 C1131Q1129-L1133 WeakPolarHBondContact O-CG 3.47Å; Q1129-L1133 PolarHBondContact O-N 3.46Å; R1130-L1133 PolarHBondContact O-N 3.37Å; C1131-L1133 VanDerWaalsContact C-N 3.33Å
1134A81.3Confident83.6Confident52 Ų5264.6 Ų64.643%0.4334%0.342SS..Hα-helixtrans-74.4-26.6-179.300000114.6R1130 C1131 G1136 L1219 V1221R1130-A1134 WeakPolarHBondContact O-CB 3.03Å; R1130-A1134 PolarHBondContact O-N 3.05Å; C1131-A1134 PolarHBondContact O-N 3.31Å; A1134-G1136 PolarHBondContact O-N 2.88Å; A1134-L1219 HydrophobicContact CB-CB 4.47Å; A1134-L1219 HydrophobicContact CB-CD1 4.44Å; A1134-V1221 HydrophobicContact CB-CG2 3.5Å; A1134-V1221 VanDerWaalsContact CB-CG2 3.5Å
1135A81.3Confident83.2Confident3 Ų368 Ų683%0.02536%0.36CS..  trans-68.7118.4179.500000111.7C1131 T1140 K1141 L1144 L1219C1131-A1135 VanDerWaalsContact O-CB 3.24Å; C1131-A1135 WeakPolarHBondContact O-CB 2.97Å; C1131-A1135 PolarHBondContact O-N 3.04Å; A1135-T1140 HydrophobicContact CB-CG2 3.94Å; A1135-K1141 HydrophobicContact CB-CG 4.05Å; A1135-K1141 WeakPolarHBondContact O-CE 3.21Å; A1135-K1141 PolarHBondContact O-NZ 3.42Å; A1135-L1144 HydrophobicContact CB-CD1 4.15Å; A1135-L1219 HydrophobicContact CB-CD1 4.13Å
1136G71.8Confident83Confident78 Ų7868.8 Ų68.880%0.80436%0.364SS*.  trans-78.7-28.216900000113.9A1134A1134-G1136 PolarHBondContact O-N 2.88Å
1137D79.1Confident82.7Confident68 Ų6866.7 Ų66.736%0.36435%0.35SS..  trans-85.4125.7-171.7159.743.6000113.4Q1139 T1140 K1141D1137-Q1139 VanDerWaalsContact C-N 3.3Å; D1137-Q1139 PolarHBondContact O-N 3.12Å; D1137-Q1139 WeakPolarHBondContact OD1-CB 3.43Å; D1137-Q1139 PolarHBondContact OD1-N 3.38Å; D1137-Q1139 WeakPolarHBondContact OD2-CB 3.24Å; D1137-T1140 PolarHBondContact O-N 2.99Å; D1137-T1140 WeakPolarHBondContact OD2-CB 3.32Å; D1137-T1140 PolarHBondContact OD2-N 2.88Å; D1137-T1140 PolarHBondContact OD2-OG1 2.64Å; D1137-K1141 PolarHBondContact O-N 2.84Å
1138P77.9Confident82.5Confident93 Ų9367.9 Ų67.960%0.60436%0.362SS*.Hα-helixtrans-56.7-32.9173.8-26.335.5000115.4K1141 R1142P1138-K1141 PolarHBondContact O-N 2.87Å; P1138-R1142 WeakPolarHBondContact O-CG 3.34Å; P1138-R1142 PolarHBondContact O-N 3.33Å
1139Q78.8Confident82.2Confident119 Ų11974 Ų7456%0.55639%0.388SS*.Hα-helixtrans-70.5-39.1179.4-159-16462.900111D1137 R1142 K1143D1137-Q1139 VanDerWaalsContact C-N 3.3Å; D1137-Q1139 PolarHBondContact O-N 3.12Å; D1137-Q1139 WeakPolarHBondContact OD1-CB 3.43Å; D1137-Q1139 PolarHBondContact OD1-N 3.38Å; D1137-Q1139 WeakPolarHBondContact OD2-CB 3.24Å; Q1139-R1142 PolarHBondContact O-N 2.93Å; Q1139-K1143 WeakPolarHBondContact O-CG 3.19Å; Q1139-K1143 PolarHBondContact O-N 2.92Å; Q1139-K1143 VanDerWaalsContact O-N 3.11Å
1140T82Confident81.8Confident32 Ų3273.5 Ų73.520%0.19638%0.381CS..Hα-helixtrans-67.4-39.7174-61.90000111.3A1135 D1137 R1142 K1143 L1144 I1215A1135-T1140 HydrophobicContact CB-CG2 3.94Å; D1137-T1140 PolarHBondContact O-N 2.99Å; D1137-T1140 WeakPolarHBondContact OD2-CB 3.32Å; D1137-T1140 PolarHBondContact OD2-N 2.88Å; D1137-T1140 PolarHBondContact OD2-OG1 2.64Å; T1140-R1142 PolarHBondContact O-N 2.84Å; T1140-K1143 PolarHBondContact O-N 2.99Å; T1140-L1144 HydrophobicContact CG2-CD1 4.09Å; T1140-L1144 WeakPolarHBondContact O-CG 3.41Å; T1140-L1144 PolarHBondContact O-N 2.75Å; T1140-I1215 HydrophobicContact CG2-CG2 4.02Å
1141K82.9Confident81.8Confident91 Ų9170 Ų7040%0.39637%0.368SS..Hα-helixtrans-60-43.9171.9-67.5-158-173.2-145.20112.6Q1132 A1135 D1137 P1138 K1143 L1144 D1145Q1132-K1141 WeakPolarHBondContact O-CE 3.44Å; Q1132-K1141 PolarHBondContact O-NZ 2.84Å; A1135-K1141 HydrophobicContact CB-CG 4.05Å; A1135-K1141 WeakPolarHBondContact O-CE 3.21Å; A1135-K1141 PolarHBondContact O-NZ 3.42Å; D1137-K1141 PolarHBondContact O-N 2.84Å; P1138-K1141 PolarHBondContact O-N 2.87Å; K1141-K1143 VanDerWaalsContact C-N 3.33Å; K1141-K1143 PolarHBondContact O-N 2.52Å; K1141-L1144 PolarHBondContact O-N 2.93Å; K1141-D1145 PolarHBondContact O-N 2.79Å
1142R82.7Confident81.7Confident198 Ų19871.1 Ų71.175%0.74738%0.379SS*.Hα-helixtrans-60.5-39.8175.1-73.4179-179.2179.71.1112.6P1138 Q1139 T1140 L1144 D1145 D1146P1138-R1142 WeakPolarHBondContact O-CG 3.34Å; P1138-R1142 PolarHBondContact O-N 3.33Å; Q1139-R1142 PolarHBondContact O-N 2.93Å; T1140-R1142 PolarHBondContact O-N 2.84Å; R1142-L1144 VanDerWaalsContact C-N 3.35Å; R1142-D1145 PolarHBondContact O-N 2.84Å; R1142-D1146 PolarHBondContact O-N 2.96Å
1143K81.9Confident81.4Confident101 Ų10173 Ų7344%0.43939%0.387SS..Hα-helixtrans-65.9-35175.2-72.7166.4177.6164.80112.7Q1139 T1140 K1141 A1147 I1215Q1139-K1143 WeakPolarHBondContact O-CG 3.19Å; Q1139-K1143 PolarHBondContact O-N 2.92Å; Q1139-K1143 VanDerWaalsContact O-N 3.11Å; T1140-K1143 PolarHBondContact O-N 2.99Å; K1141-K1143 VanDerWaalsContact C-N 3.33Å; K1141-K1143 PolarHBondContact O-N 2.52Å; K1143-A1147 VanDerWaalsContact O-CB 3.26Å; K1143-A1147 WeakPolarHBondContact O-CB 3.34Å; K1143-A1147 PolarHBondContact O-N 3.27Å; K1143-I1215 HydrophobicContact CB-CD1 4.49Å
1144L85.6Confident81.4Confident0 Ų065.9 Ų65.90%035%0.35CS..Hα-helixtrans-75-31.5176.6-72.6164.6000113.2C1131 Q1132 A1135 T1140 K1141 R1142 G1148 L1212 I1215C1131-L1144 HydrophobicContact CB-CD1 3.74Å; C1131-L1144 HydrophobicContact CB-CD2 3.66Å; C1131-L1144 HydrophobicContact CB-CG 4.36Å; C1131-L1144 WeakPolarHBondContact O-CD1 3.37Å; Q1132-L1144 HydrophobicContact CG-CB 3.74Å; Q1132-L1144 HydrophobicContact CG-CD1 4.2Å; A1135-L1144 HydrophobicContact CB-CD1 4.15Å; T1140-L1144 HydrophobicContact CG2-CD1 4.09Å; T1140-L1144 WeakPolarHBondContact O-CG 3.41Å; T1140-L1144 PolarHBondContact O-N 2.75Å; K1141-L1144 PolarHBondContact O-N 2.93Å; R1142-L1144 VanDerWaalsContact C-N 3.35Å; L1144-G1148 PolarHBondContact O-N 3.36Å; L1144-L1212 HydrophobicContact CD2-CD1 3.67Å; L1144-I1215 HydrophobicContact CD1-CG2 4.25Å; L1144-I1215 HydrophobicContact CD2-CD1 4.29Å; L1144-I1215 HydrophobicContact CD2-CG2 4.03Å; L1144-I1215 HydrophobicContact CG-CD1 4.45Å; L1144-I1215 HydrophobicContact CG-CG2 4.35Å
1145D83.5Confident81.7Confident72 Ų7264 Ų6439%0.38533%0.332SS..Hα-helixtrans-70.4-44172.5175.950.7000111.8K1141 R1142 A1147 G1148 K1149K1141-D1145 PolarHBondContact O-N 2.79Å; R1142-D1145 PolarHBondContact O-N 2.84Å; D1145-A1147 VanDerWaalsContact C-N 3.35Å; D1145-A1147 PolarHBondContact O-N 3.13Å; D1145-G1148 PolarHBondContact O-N 2.96Å; D1145-K1149 WeakPolarHBondContact O-CG 3.41Å; D1145-K1149 PolarHBondContact O-N 2.81Å; D1145-K1149 WeakPolarHBondContact OD1-CE 3.45Å; D1145-K1149 IonicContact OD1-NZ 3.28Å; D1145-K1149 PolarHBondContact OD1-NZ 2.9Å; D1145-K1149 IonicContact OD2-NZ 3.17Å; D1145-K1149 PolarHBondContact OD2-NZ 3.37Å
1146D83.6Confident81.7Confident69 Ų6966.4 Ų66.437%0.36934%0.344SS..Hα-helixtrans-61.9-40.8171.6-172.239.3000111.8R1142 K1149 R1150R1142-D1146 PolarHBondContact O-N 2.96Å; D1146-K1149 PolarHBondContact O-N 2.78Å; D1146-R1150 WeakPolarHBondContact O-CB 3.36Å; D1146-R1150 VanDerWaalsContact O-CG 3.32Å; D1146-R1150 WeakPolarHBondContact O-CG 3.47Å; D1146-R1150 PolarHBondContact O-N 2.73Å; D1146-R1150 IonicContact OD1-CZ 3.17Å; D1146-R1150 IonicContact OD1-NE 3.53Å; D1146-R1150 PolarHBondContact OD1-NE 2.84Å; D1146-R1150 IonicContact OD1-NH2 2.74Å; D1146-R1150 PolarHBondContact OD1-NH2 2.91Å; D1146-R1150 IonicContact OD2-CZ 2.66Å; D1146-R1150 IonicContact OD2-NE 2.79Å; D1146-R1150 PolarHBondContact OD2-NE 2.93Å; D1146-R1150 VanDerWaalsContact OD2-NE 3.1Å; D1146-R1150 IonicContact OD2-NH2 2.75Å; D1146-R1150 PolarHBondContact OD2-NH2 3.34Å
1147A82.7Confident82.1Confident5 Ų564.8 Ų64.84%0.04132%0.315CS..Hα-helixtrans-61.3-46.3173.100000112.5K1143 D1145 K1149 R1150 L1151 I1208K1143-A1147 VanDerWaalsContact O-CB 3.26Å; K1143-A1147 WeakPolarHBondContact O-CB 3.34Å; K1143-A1147 PolarHBondContact O-N 3.27Å; D1145-A1147 VanDerWaalsContact C-N 3.35Å; D1145-A1147 PolarHBondContact O-N 3.13Å; A1147-K1149 PolarHBondContact O-N 2.82Å; A1147-R1150 PolarHBondContact O-N 3.4Å; A1147-L1151 WeakPolarHBondContact O-CG 3.43Å; A1147-L1151 PolarHBondContact O-N 2.88Å; A1147-I1208 HydrophobicContact CB-CG2 3.68Å
1148G82.4Confident82.1Confident25 Ų2561.7 Ų61.726%0.25830%0.299SS..Hα-helixtrans-60.4-42.4177.100000112.7L1144 D1145 L1151L1144-G1148 PolarHBondContact O-N 3.36Å; D1145-G1148 PolarHBondContact O-N 2.96Å; G1148-L1151 PolarHBondContact O-N 2.86Å
1149K82.7Confident82.3Confident137 Ų13759.6 Ų59.660%0.59628%0.279SS*.Hα-helixtrans-64.7-43176.5-73.4162.4-179.4165.50112.2D1145 D1146 A1147 G1152D1145-K1149 WeakPolarHBondContact O-CG 3.41Å; D1145-K1149 PolarHBondContact O-N 2.81Å; D1145-K1149 WeakPolarHBondContact OD1-CE 3.45Å; D1145-K1149 IonicContact OD1-NZ 3.28Å; D1145-K1149 PolarHBondContact OD1-NZ 2.9Å; D1145-K1149 IonicContact OD2-NZ 3.17Å; D1145-K1149 PolarHBondContact OD2-NZ 3.37Å; D1146-K1149 PolarHBondContact O-N 2.78Å; A1147-K1149 PolarHBondContact O-N 2.82Å; K1149-G1152 PolarHBondContact O-N 2.69Å; K1149-G1152 VanDerWaalsContact O-N 3.15Å
1150R79.3Confident82.4Confident116 Ų11660.1 Ų60.144%0.43828%0.281SS..Hα-helixtrans-74.6-22-180-67.2178.8-160-126.412.4114.4D1146 A1147 G1152 H1153 I1208D1146-R1150 WeakPolarHBondContact O-CB 3.36Å; D1146-R1150 VanDerWaalsContact O-CG 3.32Å; D1146-R1150 WeakPolarHBondContact O-CG 3.47Å; D1146-R1150 PolarHBondContact O-N 2.73Å; D1146-R1150 IonicContact OD1-CZ 3.17Å; D1146-R1150 IonicContact OD1-NE 3.53Å; D1146-R1150 PolarHBondContact OD1-NE 2.84Å; D1146-R1150 IonicContact OD1-NH2 2.74Å; D1146-R1150 PolarHBondContact OD1-NH2 2.91Å; D1146-R1150 IonicContact OD2-CZ 2.66Å; D1146-R1150 IonicContact OD2-NE 2.79Å; D1146-R1150 PolarHBondContact OD2-NE 2.93Å; D1146-R1150 VanDerWaalsContact OD2-NE 3.1Å; D1146-R1150 IonicContact OD2-NH2 2.75Å; D1146-R1150 PolarHBondContact OD2-NH2 3.34Å; A1147-R1150 PolarHBondContact O-N 3.4Å; R1150-G1152 PolarHBondContact O-N 3.24Å; R1150-H1153 PolarHBondContact O-N 2.8Å; R1150-H1153 VanDerWaalsContact O-N 3.11Å; R1150-I1208 HydrophobicContact CB-CD1 3.77Å; R1150-I1208 HydrophobicContact CB-CG1 3.87Å
1151L84.5Confident82.3Confident1 Ų165.8 Ų65.81%0.00531%0.305CS..THydrogen-bonded Turntrans-60.6-19.9167.2-78.2169.6000112.4F1124 V1128 A1147 G1148 H1153 L1154 Y1155 I1208 L1209 L1212F1124-L1151 HydrophobicContact CB-CD1 4.19Å; V1128-L1151 HydrophobicContact CG2-CD1 3.83Å; A1147-L1151 WeakPolarHBondContact O-CG 3.43Å; A1147-L1151 PolarHBondContact O-N 2.88Å; G1148-L1151 PolarHBondContact O-N 2.86Å; L1151-H1153 PolarHBondContact O-N 2.88Å; L1151-L1154 HydrophobicContact CD2-CD2 4.18Å; L1151-L1154 WeakPolarHBondContact O-CB 3.49Å; L1151-L1154 PolarHBondContact O-N 2.77Å; L1151-Y1155 HydrophobicContact CB-CE2 4.08Å; L1151-Y1155 WeakPolarHBondContact O-CD2 3.26Å; L1151-Y1155 PolarHBondContact O-N 3.46Å; L1151-Y1155 VanDerWaalsContact O-N 3.14Å; L1151-I1208 HydrophobicContact CG-CG2 4.26Å; L1151-L1209 HydrophobicContact CD2-CD2 3.83Å; L1151-L1209 HydrophobicContact CD2-CG 4.37Å; L1151-L1212 HydrophobicContact CD1-CD2 4.2Å
1152G81.8Confident82.1Confident22 Ų2263.9 Ų63.923%0.22730%0.303CS..Hα-helixtrans-47.5-45.4166.800000112.9K1149 R1150 L1154 Y1155 D1156K1149-G1152 PolarHBondContact O-N 2.69Å; K1149-G1152 VanDerWaalsContact O-N 3.15Å; R1150-G1152 PolarHBondContact O-N 3.24Å; G1152-L1154 VanDerWaalsContact C-N 3.28Å; G1152-L1154 PolarHBondContact O-N 3.4Å; G1152-Y1155 CarbonylContact O-C 3.6Å; G1152-Y1155 WeakPolarHBondContact O-CA 3.4Å; G1152-Y1155 WeakPolarHBondContact O-CB 3.3Å; G1152-Y1155 PolarHBondContact O-N 3.02Å; G1152-D1156 PolarHBondContact O-N 2.71Å; G1152-D1156 VanDerWaalsContact O-OD2 3.12Å
1153H80.6Confident82Confident102 Ų10255.1 Ų55.147%0.47227%0.271SS..Hα-helixtrans-65.4-26.4179.5-60.2-45.6000114.2R1150 L1151 D1156 K1157R1150-H1153 PolarHBondContact O-N 2.8Å; R1150-H1153 VanDerWaalsContact O-N 3.11Å; L1151-H1153 PolarHBondContact O-N 2.88Å; H1153-D1156 IonicContact ND1-OD2 2.68Å; H1153-K1157 PolarHBondContact O-N 3.28Å
1154L83Confident82.1Confident0 Ų052.6 Ų52.60%027%0.267CS..Hα-helixtrans-71.7-43170.217457.8000110.3F1124 L1151 G1152 D1156 K1157 L1158 L1163 L1171 F1205 L1209F1124-L1154 HydrophobicContact CD2-CD2 4.24Å; F1124-L1154 HydrophobicContact CE2-CD2 4.22Å; L1151-L1154 HydrophobicContact CD2-CD2 4.18Å; L1151-L1154 WeakPolarHBondContact O-CB 3.49Å; L1151-L1154 PolarHBondContact O-N 2.77Å; G1152-L1154 VanDerWaalsContact C-N 3.28Å; G1152-L1154 PolarHBondContact O-N 3.4Å; L1154-D1156 VanDerWaalsContact C-N 3.32Å; L1154-D1156 PolarHBondContact O-N 2.83Å; L1154-K1157 PolarHBondContact O-N 2.82Å; L1154-L1158 HydrophobicContact CD1-CD1 4.11Å; L1154-L1158 HydrophobicContact CD1-CG 4.28Å; L1154-L1158 HydrophobicContact CG-CD1 4.06Å; L1154-L1158 WeakPolarHBondContact O-CB 2.98Å; L1154-L1158 VanDerWaalsContact O-CG 3.29Å; L1154-L1158 WeakPolarHBondContact O-CG 3.5Å; L1154-L1158 PolarHBondContact O-N 3.35Å; L1154-L1163 HydrophobicContact CD1-CD1 4Å; L1154-L1171 HydrophobicContact CD1-CD1 3.86Å; L1154-F1205 HydrophobicContact CB-CB 3.9Å; L1154-F1205 HydrophobicContact CB-CD1 4.44Å; L1154-F1205 HydrophobicContact CB-CG 4.05Å; L1154-F1205 HydrophobicContact CD1-CD1 4.12Å; L1154-F1205 HydrophobicContact CD1-CD2 3.89Å; L1154-F1205 HydrophobicContact CD1-CE1 4.16Å; L1154-F1205 HydrophobicContact CD1-CE2 3.94Å; L1154-F1205 HydrophobicContact CD1-CG 4Å; L1154-F1205 HydrophobicContact CD1-CZ 4.07Å; L1154-F1205 HydrophobicContact CD2-CD2 4.3Å; L1154-F1205 HydrophobicContact CG-CD2 4.46Å; L1154-F1205 HydrophobicContact CG-CG 4.44Å; L1154-L1209 HydrophobicContact CD2-CD1 4.32Å
1155Y86.8Confident81.8Confident12 Ų1259.6 Ų59.65%0.04730%0.299CS..Hα-helixtrans-68.3-30.5177.9-53.5-32.7000112.5K1121 D1125 L1151 G1152 L1158 R1159K1121-Y1155 HydrophobicContact CB-CD1 4.1Å; K1121-Y1155 HydrophobicContact CB-CE1 3.7Å; K1121-Y1155 HydrophobicContact CD-CD1 4.5Å; K1121-Y1155 HydrophobicContact CD-CD2 4.25Å; K1121-Y1155 HydrophobicContact CD-CE2 4.27Å; K1121-Y1155 HydrophobicContact CD-CG 4.37Å; K1121-Y1155 HydrophobicContact CG-CD1 4.28Å; K1121-Y1155 HydrophobicContact CG-CD2 4.38Å; K1121-Y1155 HydrophobicContact CG-CE1 3.89Å; K1121-Y1155 HydrophobicContact CG-CE2 3.95Å; D1125-Y1155 WeakPolarHBondContact OD1-CE2 3.22Å; D1125-Y1155 PolarHBondContact OD1-OH 3.5Å; L1151-Y1155 HydrophobicContact CB-CE2 4.08Å; L1151-Y1155 WeakPolarHBondContact O-CD2 3.26Å; L1151-Y1155 PolarHBondContact O-N 3.46Å; L1151-Y1155 VanDerWaalsContact O-N 3.14Å; G1152-Y1155 CarbonylContact O-C 3.6Å; G1152-Y1155 WeakPolarHBondContact O-CA 3.4Å; G1152-Y1155 WeakPolarHBondContact O-CB 3.3Å; G1152-Y1155 PolarHBondContact O-N 3.02Å; Y1155-L1158 HydrophobicContact CD1-CD1 4.33Å; Y1155-R1159 VanDerWaalsContact O-CG 3.29Å; Y1155-R1159 WeakPolarHBondContact O-CG 3.46Å; Y1155-R1159 PolarHBondContact O-N 2.87Å; Y1155-R1159 VanDerWaalsContact O-N 3.08Å; Y1155-R1159 PolarHBondContact O-NE 3.26Å
1156D82.3Confident81.7Confident54 Ų5461.3 Ų61.329%0.28931%0.308SS..Hα-helixtrans-64.6-53.3171-62.8-33.4000111G1152 H1153 L1154 L1158 R1159 E1160G1152-D1156 PolarHBondContact O-N 2.71Å; G1152-D1156 VanDerWaalsContact O-OD2 3.12Å; H1153-D1156 IonicContact ND1-OD2 2.68Å; L1154-D1156 VanDerWaalsContact C-N 3.32Å; L1154-D1156 PolarHBondContact O-N 2.83Å; D1156-L1158 PolarHBondContact O-N 3.1Å; D1156-R1159 WeakPolarHBondContact O-CA 3.47Å; D1156-R1159 WeakPolarHBondContact O-CB 3.33Å; D1156-R1159 PolarHBondContact O-N 3.44Å; D1156-R1159 IonicContact OD1-CZ 2.73Å; D1156-R1159 IonicContact OD1-NE 3.63Å; D1156-R1159 IonicContact OD1-NH2 3.39Å; D1156-R1159 PolarHBondContact OD1-NH2 2.9Å; D1156-E1160 WeakPolarHBondContact O-CG 3.36Å; D1156-E1160 PolarHBondContact O-N 2.82Å
1157K79.1Confident81.7Confident43 Ų4358 Ų5819%0.18729%0.291CS..Hα-helixtrans-61-30.4176.4-69.6-164.5178.4-166.40113.7H1153 L1154 E1160 Q1161 S1162 L1163 S1200 E1201 F1205H1153-K1157 PolarHBondContact O-N 3.28Å; L1154-K1157 PolarHBondContact O-N 2.82Å; K1157-E1160 PolarHBondContact O-N 3.03Å; K1157-Q1161 PolarHBondContact O-N 3.02Å; K1157-Q1161 VanDerWaalsContact O-N 3.1Å; K1157-S1162 WeakPolarHBondContact CA-OG 3.4Å; K1157-S1162 WeakPolarHBondContact CB-OG 3.41Å; K1157-S1162 PolarHBondContact O-N 3.36Å; K1157-S1162 VanDerWaalsContact O-N 3.07Å; K1157-S1162 PolarHBondContact O-OG 2.92Å; K1157-L1163 HydrophobicContact CB-CD1 4.29Å; K1157-L1163 HydrophobicContact CB-CD2 4.06Å; K1157-L1163 HydrophobicContact CB-CG 4.01Å; K1157-L1163 HydrophobicContact CD-CD2 3.83Å; K1157-S1200 PolarHBondContact NZ-O 2.68Å; K1157-E1201 PolarHBondContact NZ-O 3.09Å; K1157-F1205 HydrophobicContact CD-CE1 4.48Å
1158L80.6Confident81.9Confident4 Ų459 Ų592%0.02130%0.295CS..Hα-helixtrans-71.7-28.8172.4-73.7169.5000113.4P1114 H1117 L1120 L1154 Y1155 D1156 L1163 L1168P1114-L1158 WeakPolarHBondContact CD-O 3.45Å; H1117-L1158 HydrophobicContact CB-CD2 4.07Å; L1120-L1158 HydrophobicContact CD1-CD1 4Å; L1120-L1158 HydrophobicContact CD1-CD2 4.2Å; L1154-L1158 HydrophobicContact CD1-CD1 4.11Å; L1154-L1158 HydrophobicContact CD1-CG 4.28Å; L1154-L1158 HydrophobicContact CG-CD1 4.06Å; L1154-L1158 WeakPolarHBondContact O-CB 2.98Å; L1154-L1158 VanDerWaalsContact O-CG 3.29Å; L1154-L1158 WeakPolarHBondContact O-CG 3.5Å; L1154-L1158 PolarHBondContact O-N 3.35Å; Y1155-L1158 HydrophobicContact CD1-CD1 4.33Å; D1156-L1158 PolarHBondContact O-N 3.1Å; L1158-L1163 HydrophobicContact CD2-CD1 3.98Å; L1158-L1163 HydrophobicContact CG-CD1 4.22Å; L1158-L1168 HydrophobicContact CD2-CD2 3.51Å
1159R81.8Confident82Confident48 Ų4860.7 Ų60.718%0.18130%0.303CS..Hα-helixtrans-76.4-31.7171.8-73.2179.5-85-154.49.9112.8K1111 I1113 Y1155 D1156 Q1161K1111-R1159 WeakPolarHBondContact O-CD 3.43Å; K1111-R1159 WeakPolarHBondContact O-CG 3.48Å; I1113-R1159 HydrophobicContact CB-CG 4.44Å; I1113-R1159 HydrophobicContact CG1-CG 3.54Å; Y1155-R1159 VanDerWaalsContact O-CG 3.29Å; Y1155-R1159 WeakPolarHBondContact O-CG 3.46Å; Y1155-R1159 PolarHBondContact O-N 2.87Å; Y1155-R1159 VanDerWaalsContact O-N 3.08Å; Y1155-R1159 PolarHBondContact O-NE 3.26Å; D1156-R1159 WeakPolarHBondContact O-CA 3.47Å; D1156-R1159 WeakPolarHBondContact O-CB 3.33Å; D1156-R1159 PolarHBondContact O-N 3.44Å; D1156-R1159 IonicContact OD1-CZ 2.73Å; D1156-R1159 IonicContact OD1-NE 3.63Å; D1156-R1159 IonicContact OD1-NH2 3.39Å; D1156-R1159 PolarHBondContact OD1-NH2 2.9Å; R1159-Q1161 VanDerWaalsContact C-N 3.31Å
1160E80.8Confident82.2Confident131 Ų13154.4 Ų54.461%0.61228%0.277SS*.Hα-helixtrans-78.2-14.1175-67.9169.9177.300113.5D1156 K1157 S1162D1156-E1160 WeakPolarHBondContact O-CG 3.36Å; D1156-E1160 PolarHBondContact O-N 2.82Å; K1157-E1160 PolarHBondContact O-N 3.03Å; E1160-S1162 WeakPolarHBondContact CB-OG 3.27Å; E1160-S1162 PolarHBondContact O-N 2.82Å; E1160-S1162 PolarHBondContact OE2-OG 2.79Å
1161Q78.9Confident82.7Confident150 Ų15048.9 Ų48.970%0.70126%0.256SS*.THydrogen-bonded Turntrans56.428.5-169.2-57.6-178.6-16.700112.9P1114 K1157 R1159 L1163P1114-Q1161 HydrophobicContact CG-CG 4.36Å; K1157-Q1161 PolarHBondContact O-N 3.02Å; K1157-Q1161 VanDerWaalsContact O-N 3.1Å; R1159-Q1161 VanDerWaalsContact C-N 3.31Å; Q1161-L1163 VanDerWaalsContact C-N 3.31Å; Q1161-L1163 PolarHBondContact O-N 2.8Å
1162S79.4Confident83Confident51 Ų5151 Ų5136%0.35727%0.266SS..  trans-88.818.9-170.2590000114.7K1157 E1160K1157-S1162 WeakPolarHBondContact CA-OG 3.4Å; K1157-S1162 WeakPolarHBondContact CB-OG 3.41Å; K1157-S1162 PolarHBondContact O-N 3.36Å; K1157-S1162 VanDerWaalsContact O-N 3.07Å; K1157-S1162 PolarHBondContact O-OG 2.92Å; E1160-S1162 WeakPolarHBondContact CB-OG 3.27Å; E1160-S1162 PolarHBondContact O-N 2.82Å; E1160-S1162 PolarHBondContact OE2-OG 2.79Å
1163L80.8Confident83.3Confident14 Ų1454 Ų547%0.07327%0.274CS..SBendtrans-113.6132.7-178.6-63.2178.4000111.7L1154 K1157 L1158 Q1161 L1168 L1171 F1205L1154-L1163 HydrophobicContact CD1-CD1 4Å; K1157-L1163 HydrophobicContact CB-CD1 4.29Å; K1157-L1163 HydrophobicContact CB-CD2 4.06Å; K1157-L1163 HydrophobicContact CB-CG 4.01Å; K1157-L1163 HydrophobicContact CD-CD2 3.83Å; L1158-L1163 HydrophobicContact CD2-CD1 3.98Å; L1158-L1163 HydrophobicContact CG-CD1 4.22Å; Q1161-L1163 VanDerWaalsContact C-N 3.31Å; Q1161-L1163 PolarHBondContact O-N 2.8Å; L1163-L1168 HydrophobicContact CB-CD1 4.44Å; L1163-L1168 HydrophobicContact CB-CD2 3.91Å; L1163-L1168 HydrophobicContact CB-CG 3.98Å; L1163-L1168 HydrophobicContact CD1-CD2 3.97Å; L1163-L1168 WeakPolarHBondContact O-CD1 3.28Å; L1163-L1171 HydrophobicContact CD1-CD1 4.23Å; L1163-F1205 HydrophobicContact CD2-CE1 3.93Å; L1163-F1205 HydrophobicContact CD2-CZ 4.16Å
1164S83.3Confident83.7Confident49 Ų4949.1 Ų49.134%0.34325%0.251SS..  trans-65.4148.9176.251.50000113.2N1166 I1167 L1168 E1201S1164-N1166 PolarHBondContact O-N 2.97Å; S1164-N1166 VanDerWaalsContact O-N 3.13Å; S1164-I1167 WeakPolarHBondContact O-CB 3.29Å; S1164-I1167 PolarHBondContact O-N 3.01Å; S1164-I1167 VanDerWaalsContact OG-CD1 3.25Å; S1164-I1167 WeakPolarHBondContact OG-CD1 3.48Å; S1164-I1167 WeakPolarHBondContact OG-CG1 3.44Å; S1164-L1168 PolarHBondContact O-N 2.9Å; S1164-L1168 VanDerWaalsContact O-N 3.12Å; S1164-E1201 WeakPolarHBondContact CB-OE2 3.38Å; S1164-E1201 PolarHBondContact N-OE2 2.98Å; S1164-E1201 PolarHBondContact OG-OE2 3Å
1165H80.9Confident84.1Confident147 Ų14749.2 Ų49.268%0.68125%0.252SS*.Hα-helixtrans-57.3-33.4-171.9-172.377.9000113.8I1167 L1168 S1169H1165-I1167 VanDerWaalsContact C-N 3.35Å; H1165-L1168 PolarHBondContact O-N 2.94Å; H1165-S1169 PolarHBondContact O-N 3.26Å; H1165-S1169 PolarHBondContact O-OG 3.41Å
1166N80.6Confident84.2Confident108 Ų10857.1 Ų57.158%0.57828%0.282SS*.Hα-helixtrans-68.4-31.4176.4-66.8-3.1000113S1164 S1169 G1170S1164-N1166 PolarHBondContact O-N 2.97Å; S1164-N1166 VanDerWaalsContact O-N 3.13Å; N1166-S1169 PolarHBondContact O-OG 3.12Å; N1166-G1170 PolarHBondContact O-N 3.11Å
1167I84.4Confident84.4Confident0 Ų055.1 Ų55.10%027%0.272CS..Hα-helixtrans-73.3-42.1173.5-60.7173000109.4S1164 H1165 G1170 L1171 S1197 E1201 I1202 F1205S1164-I1167 WeakPolarHBondContact O-CB 3.29Å; S1164-I1167 PolarHBondContact O-N 3.01Å; S1164-I1167 VanDerWaalsContact OG-CD1 3.25Å; S1164-I1167 WeakPolarHBondContact OG-CD1 3.48Å; S1164-I1167 WeakPolarHBondContact OG-CG1 3.44Å; H1165-I1167 VanDerWaalsContact C-N 3.35Å; I1167-G1170 PolarHBondContact O-N 3.15Å; I1167-L1171 HydrophobicContact CG2-CD1 3.91Å; I1167-L1171 HydrophobicContact CG2-CG 4.32Å; I1167-L1171 WeakPolarHBondContact O-CB 3.33Å; I1167-L1171 VanDerWaalsContact O-CG 3.29Å; I1167-L1171 WeakPolarHBondContact O-CG 3.35Å; I1167-L1171 PolarHBondContact O-N 2.96Å; I1167-S1197 WeakPolarHBondContact CG1-OG 3.44Å; I1167-E1201 HydrophobicContact CD1-CB 3.69Å; I1167-E1201 HydrophobicContact CD1-CG 4.42Å; I1167-E1201 VanDerWaalsContact CD1-OE2 3.24Å; I1167-E1201 WeakPolarHBondContact CD1-OE2 3.31Å; I1167-I1202 HydrophobicContact CD1-CG2 3.69Å; I1167-I1202 HydrophobicContact CG1-CG2 4.2Å; I1167-I1202 HydrophobicContact CG2-CG2 4.49Å; I1167-F1205 HydrophobicContact CG2-CZ 4.04Å
1168L86.4Confident84.7Confident26 Ų2653.1 Ų53.114%0.13626%0.263CS..Hα-helixtrans-64.5-44.4179.3-68.8172.5000112.5L1158 L1163 S1164 H1165 L1171 H1172L1158-L1168 HydrophobicContact CD2-CD2 3.51Å; L1163-L1168 HydrophobicContact CB-CD1 4.44Å; L1163-L1168 HydrophobicContact CB-CD2 3.91Å; L1163-L1168 HydrophobicContact CB-CG 3.98Å; L1163-L1168 HydrophobicContact CD1-CD2 3.97Å; L1163-L1168 WeakPolarHBondContact O-CD1 3.28Å; S1164-L1168 PolarHBondContact O-N 2.9Å; S1164-L1168 VanDerWaalsContact O-N 3.12Å; H1165-L1168 PolarHBondContact O-N 2.94Å; L1168-L1171 PolarHBondContact O-N 3.48Å; L1168-H1172 PolarHBondContact O-CD2 3.07Å; L1168-H1172 VanDerWaalsContact O-CD2 3.23Å; L1168-H1172 PolarHBondContact O-N 2.82Å
1169S84.8Confident84.9Confident60 Ų6056.2 Ų56.242%0.4229%0.29SS..Hα-helixtrans-64-44.5176.161.20000111.6H1165 N1166 L1171 H1172 E1173H1165-S1169 PolarHBondContact O-N 3.26Å; H1165-S1169 PolarHBondContact O-OG 3.41Å; N1166-S1169 PolarHBondContact O-OG 3.12Å; S1169-L1171 PolarHBondContact O-N 2.82Å; S1169-H1172 PolarHBondContact O-N 2.78Å; S1169-E1173 PolarHBondContact O-N 2.93Å
1170G86.9Confident85Confident5 Ų557.8 Ų57.85%0.05231%0.308CS..Hα-helixtrans-61.5-40.4174.600000113.8N1166 I1167 E1173 I1174N1166-G1170 PolarHBondContact O-N 3.11Å; I1167-G1170 PolarHBondContact O-N 3.15Å; G1170-E1173 PolarHBondContact O-N 2.85Å; G1170-I1174 WeakPolarHBondContact O-CB 3.44Å; G1170-I1174 WeakPolarHBondContact O-CD1 3.35Å; G1170-I1174 VanDerWaalsContact O-CG1 3.24Å; G1170-I1174 WeakPolarHBondContact O-CG1 3.46Å; G1170-I1174 PolarHBondContact O-N 3.12Å
1171L89.3Confident85Confident0 Ų056.9 Ų56.90%030%0.304CS..Hα-helixtrans-64.1-39.5174-78.8171000112.3L1120 L1154 L1163 I1167 L1168 S1169 S1175 F1205 L1209L1120-L1171 HydrophobicContact CD1-CB 4.24Å; L1120-L1171 HydrophobicContact CD2-CB 4.31Å; L1120-L1171 WeakPolarHBondContact CD2-O 3.4Å; L1154-L1171 HydrophobicContact CD1-CD1 3.86Å; L1163-L1171 HydrophobicContact CD1-CD1 4.23Å; I1167-L1171 HydrophobicContact CG2-CD1 3.91Å; I1167-L1171 HydrophobicContact CG2-CG 4.32Å; I1167-L1171 WeakPolarHBondContact O-CB 3.33Å; I1167-L1171 VanDerWaalsContact O-CG 3.29Å; I1167-L1171 WeakPolarHBondContact O-CG 3.35Å; I1167-L1171 PolarHBondContact O-N 2.96Å; L1168-L1171 PolarHBondContact O-N 3.48Å; S1169-L1171 PolarHBondContact O-N 2.82Å; L1171-S1175 VanDerWaalsContact O-CB 3.31Å; L1171-S1175 WeakPolarHBondContact O-CB 3.49Å; L1171-S1175 PolarHBondContact O-N 3Å; L1171-F1205 HydrophobicContact CD1-CE2 4.09Å; L1171-F1205 HydrophobicContact CD1-CZ 4.37Å; L1171-F1205 HydrophobicContact CD2-CE2 4.12Å; L1171-L1209 HydrophobicContact CD2-CD1 3.49Å; L1171-L1209 VanDerWaalsContact CD2-CD1 3.49Å
1172H90.8Very high85.4Confident44 Ų4453.5 Ų53.520%0.20429%0.29CS..Hα-helixtrans-66.6-35.9173.4-84.1-68.1000112.7E1116 H1117 L1120 L1168 S1169 S1175 R1176E1116-H1172 PolarHBondContact O-NE2 3.1Å; H1117-H1172 AromaticContact ND1-CD2 3.92Å; H1117-H1172 AromaticContact ND1-NE2 3.97Å; L1120-H1172 HydrophobicContact CD2-CB 4.47Å; L1168-H1172 PolarHBondContact O-CD2 3.07Å; L1168-H1172 VanDerWaalsContact O-CD2 3.23Å; L1168-H1172 PolarHBondContact O-N 2.82Å; S1169-H1172 PolarHBondContact O-N 2.78Å; H1172-S1175 WeakPolarHBondContact O-CB 3.45Å; H1172-S1175 PolarHBondContact O-N 3.23Å; H1172-R1176 WeakPolarHBondContact O-CG 3.28Å; H1172-R1176 PolarHBondContact O-N 3.48Å
1173E87.5Confident85.8Confident85 Ų8551.4 Ų51.440%0.39728%0.275SS..Hα-helixtrans-69.9-42.2175.2-154.6-174.8170.100111.7S1169 G1170 S1175 R1176 C1177 I1189S1169-E1173 PolarHBondContact O-N 2.93Å; G1170-E1173 PolarHBondContact O-N 2.85Å; E1173-S1175 VanDerWaalsContact C-N 3.31Å; E1173-S1175 PolarHBondContact O-N 3.48Å; E1173-R1176 WeakPolarHBondContact O-CB 3.18Å; E1173-R1176 PolarHBondContact O-N 2.83Å; E1173-R1176 VanDerWaalsContact O-N 3.16Å; E1173-C1177 PolarHBondContact O-N 3.23Å; E1173-C1177 PolarHBondContact O-SG 3.13Å; E1173-C1177 VanDerWaalsContact O-SG 3.41Å; E1173-I1189 HydrophobicContact CB-CD1 4.36Å; E1173-I1189 HydrophobicContact CB-CG2 4.35Å; E1173-I1189 HydrophobicContact CG-CD1 3.78Å
1174I89.9Confident86Confident0 Ų056.2 Ų56.20%030%0.297CS..Hα-helixtrans-58.6-42.7170.9-68.5164000110.9F1124 G1170 R1176 C1177 V1178 I1189 H1190 M1206 M1213F1124-I1174 HydrophobicContact CE1-CG2 4.16Å; F1124-I1174 HydrophobicContact CZ-CG2 4.15Å; G1170-I1174 WeakPolarHBondContact O-CB 3.44Å; G1170-I1174 WeakPolarHBondContact O-CD1 3.35Å; G1170-I1174 VanDerWaalsContact O-CG1 3.24Å; G1170-I1174 WeakPolarHBondContact O-CG1 3.46Å; G1170-I1174 PolarHBondContact O-N 3.12Å; I1174-R1176 PolarHBondContact O-N 2.86Å; I1174-C1177 WeakPolarHBondContact O-CB 3.27Å; I1174-C1177 PolarHBondContact O-N 3.27Å; I1174-V1178 WeakPolarHBondContact O-CG2 3.42Å; I1174-V1178 PolarHBondContact O-N 3.14Å; I1174-I1189 HydrophobicContact CD1-CG2 4.3Å; I1174-I1189 HydrophobicContact CG1-CB 4.11Å; I1174-I1189 HydrophobicContact CG1-CG2 3.79Å; I1174-H1190 HydrophobicContact CD1-CB 4.14Å; I1174-M1206 HydrophobicContact CD1-CE 4.33Å; I1174-M1213 HydrophobicContact CG2-CE 4.13Å; I1174-M1213 HydrophobicContact CG2-SD 3.73Å
1175S90.5Very high86.2Confident3 Ų359.3 Ų59.32%0.02130%0.301CS..Hα-helixtrans-60.5-41175.5174.50000112.2T1123 L1171 H1172 E1173 V1178 A1179T1123-S1175 PolarHBondContact OG1-OG 3.34Å; L1171-S1175 VanDerWaalsContact O-CB 3.31Å; L1171-S1175 WeakPolarHBondContact O-CB 3.49Å; L1171-S1175 PolarHBondContact O-N 3Å; H1172-S1175 WeakPolarHBondContact O-CB 3.45Å; H1172-S1175 PolarHBondContact O-N 3.23Å; E1173-S1175 VanDerWaalsContact C-N 3.31Å; E1173-S1175 PolarHBondContact O-N 3.48Å; S1175-V1178 PolarHBondContact O-N 3.21Å; S1175-A1179 WeakPolarHBondContact O-CB 3.46Å; S1175-A1179 PolarHBondContact O-N 3.05Å
1176R88.8Confident86.5Confident177 Ų17752.3 Ų52.367%0.66827%0.269SS*.Hα-helixtrans-64.3-40.5172.6-69172.6-171.7166.93.5112.5H1172 E1173 I1174 A1179 S1180H1172-R1176 WeakPolarHBondContact O-CG 3.28Å; H1172-R1176 PolarHBondContact O-N 3.48Å; E1173-R1176 WeakPolarHBondContact O-CB 3.18Å; E1173-R1176 PolarHBondContact O-N 2.83Å; E1173-R1176 VanDerWaalsContact O-N 3.16Å; I1174-R1176 PolarHBondContact O-N 2.86Å; R1176-A1179 PolarHBondContact O-N 3.03Å; R1176-S1180 PolarHBondContact O-N 2.93Å; R1176-S1180 PolarHBondContact O-OG 3.17Å
1177C86.5Confident86.8Confident13 Ų1348.6 Ų48.69%0.08825%0.249CC..Hα-helixtrans-63.2-41.4174.1-67.20000112E1173 I1174 S1180 Q1181 N1182E1173-C1177 PolarHBondContact O-N 3.23Å; E1173-C1177 PolarHBondContact O-SG 3.13Å; E1173-C1177 VanDerWaalsContact O-SG 3.41Å; I1174-C1177 WeakPolarHBondContact O-CB 3.27Å; I1174-C1177 PolarHBondContact O-N 3.27Å; C1177-S1180 WeakPolarHBondContact CA-OG 3.33Å; C1177-S1180 CarbonylContact O-C 3.4Å; C1177-S1180 PolarHBondContact O-N 3.17Å; C1177-S1180 PolarHBondContact O-OG 3.17Å; C1177-Q1181 PolarHBondContact O-N 3.5Å; C1177-Q1181 VanDerWaalsContact O-N 3.16Å; C1177-N1182 PolarHBondContact O-N 2.76Å
1178V85.9Confident87Confident0 Ų053.1 Ų53.10%027%0.27CS..Hα-helixtrans-65.2-38.8174.81620000112.2F1124 L1127 I1174 S1175 S1180 Q1181 Y1183 M1213F1124-V1178 HydrophobicContact CE1-CG2 4.25Å; L1127-V1178 HydrophobicContact CB-CG1 4.12Å; L1127-V1178 HydrophobicContact CD1-CG1 4.32Å; L1127-V1178 HydrophobicContact CD2-CG1 3.77Å; L1127-V1178 HydrophobicContact CD2-CG2 3.99Å; L1127-V1178 HydrophobicContact CG-CG1 4.29Å; I1174-V1178 WeakPolarHBondContact O-CG2 3.42Å; I1174-V1178 PolarHBondContact O-N 3.14Å; S1175-V1178 PolarHBondContact O-N 3.21Å; V1178-S1180 VanDerWaalsContact C-N 3.28Å; V1178-S1180 PolarHBondContact O-N 2.87Å; V1178-Q1181 PolarHBondContact O-N 2.7Å; V1178-Y1183 HydrophobicContact CB-CE1 4.37Å; V1178-Y1183 HydrophobicContact CG1-CE1 4.39Å; V1178-Y1183 HydrophobicContact CG2-CD1 4.26Å; V1178-Y1183 HydrophobicContact CG2-CE1 4.07Å; V1178-M1213 HydrophobicContact CG2-CG 4.14Å; V1178-M1213 HydrophobicContact CG2-SD 3.96Å
1179A84.3Confident87Confident70 Ų7052 Ų5258%0.57926%0.264SS*.Hα-helixtrans-70.1-24.1176.600000113.2S1175 R1176S1175-A1179 WeakPolarHBondContact O-CB 3.46Å; S1175-A1179 PolarHBondContact O-N 3.05Å; R1176-A1179 PolarHBondContact O-N 3.03Å
1180S83.4Confident87.3Confident80 Ų8049.6 Ų49.656%0.55925%0.246SC*.THydrogen-bonded Turntrans-100.913.8175.951.40000113.7R1176 C1177 V1178 N1182R1176-S1180 PolarHBondContact O-N 2.93Å; R1176-S1180 PolarHBondContact O-OG 3.17Å; C1177-S1180 WeakPolarHBondContact CA-OG 3.33Å; C1177-S1180 CarbonylContact O-C 3.4Å; C1177-S1180 PolarHBondContact O-N 3.17Å; C1177-S1180 PolarHBondContact O-OG 3.17Å; V1178-S1180 VanDerWaalsContact C-N 3.28Å; V1178-S1180 PolarHBondContact O-N 2.87Å; S1180-N1182 PolarHBondContact O-N 3.33Å
1181Q82.6Confident87.4Confident113 Ų11352.9 Ų52.953%0.52827%0.265SS..THydrogen-bonded Turntrans55.112.3-177.6-65.2174.9-56.800115.2C1177 V1178 Y1183 V1221C1177-Q1181 PolarHBondContact O-N 3.5Å; C1177-Q1181 VanDerWaalsContact O-N 3.16Å; V1178-Q1181 PolarHBondContact O-N 2.7Å; Q1181-Y1183 VanDerWaalsContact C-N 3.3Å; Q1181-Y1183 HydrophobicContact CB-CE2 4.05Å; Q1181-Y1183 HydrophobicContact CG-CE2 4.4Å; Q1181-Y1183 WeakPolarHBondContact O-CD2 3.3Å; Q1181-Y1183 WeakPolarHBondContact O-CE2 3.37Å; Q1181-Y1183 PolarHBondContact O-N 2.88Å; Q1181-V1221 PolarHBondContact NE2-O 3.49Å; Q1181-V1221 VanDerWaalsContact NE2-O 3.13Å; Q1181-V1221 PolarHBondContact NE2-OXT 2.83Å
1182N85.9Confident87.2Confident78 Ų7858.8 Ų58.842%0.41729%0.293SS..  trans-88.267.5178.9-166.3-20.5000111.2C1177 S1180 Q1184 R1185 G1186C1177-N1182 PolarHBondContact O-N 2.76Å; S1180-N1182 PolarHBondContact O-N 3.33Å; N1182-Q1184 PolarHBondContact O-N 3.39Å; N1182-R1185 HydrophobicContact CB-CB 4.5Å; N1182-R1185 PolarHBondContact O-N 3.24Å; N1182-R1185 WeakPolarHBondContact OD1-CB 3.34Å; N1182-R1185 PolarHBondContact OD1-N 3.26Å; N1182-R1185 VanDerWaalsContact OD1-N 3.07Å; N1182-G1186 PolarHBondContact O-N 3.2Å; N1182-G1186 VanDerWaalsContact O-N 3.11Å
1183Y88.2Confident87Confident7 Ų757.1 Ų57.13%0.02729%0.286CS..Hα-helixtrans-63.1-27.7-179.3-56.7-67.9000113.3L1127 R1130 V1178 Q1181 G1186 L1187 M1213 A1216 N1217 V1221L1127-Y1183 HydrophobicContact CD1-CE1 3.75Å; L1127-Y1183 VanDerWaalsContact CD1-OH 3.3Å; L1127-Y1183 WeakPolarHBondContact CD1-OH 3.46Å; L1127-Y1183 HydrophobicContact CD2-CE1 4.06Å; R1130-Y1183 PolarHBondContact NH1-OH 3.29Å; V1178-Y1183 HydrophobicContact CB-CE1 4.37Å; V1178-Y1183 HydrophobicContact CG1-CE1 4.39Å; V1178-Y1183 HydrophobicContact CG2-CD1 4.26Å; V1178-Y1183 HydrophobicContact CG2-CE1 4.07Å; Q1181-Y1183 VanDerWaalsContact C-N 3.3Å; Q1181-Y1183 HydrophobicContact CB-CE2 4.05Å; Q1181-Y1183 HydrophobicContact CG-CE2 4.4Å; Q1181-Y1183 WeakPolarHBondContact O-CD2 3.3Å; Q1181-Y1183 WeakPolarHBondContact O-CE2 3.37Å; Q1181-Y1183 PolarHBondContact O-N 2.88Å; Y1183-G1186 PolarHBondContact O-N 3.43Å; Y1183-L1187 WeakPolarHBondContact O-CG 3.45Å; Y1183-L1187 PolarHBondContact O-N 3.19Å; Y1183-M1213 HydrophobicContact CD1-CB 4.44Å; Y1183-M1213 HydrophobicContact CD1-CG 4.37Å; Y1183-A1216 HydrophobicContact CD1-CB 4.01Å; Y1183-A1216 HydrophobicContact CD2-CB 4.34Å; Y1183-A1216 HydrophobicContact CE1-CB 3.8Å; Y1183-A1216 HydrophobicContact CE2-CB 4.16Å; Y1183-A1216 HydrophobicContact CG-CB 4.29Å; Y1183-N1217 HydrophobicContact CG-CB 4.43Å; Y1183-V1221 VanDerWaalsContact CE2-O 3.28Å; Y1183-V1221 WeakPolarHBondContact CE2-O 3.38Å; Y1183-V1221 PolarHBondContact OH-O 2.84Å
1184Q85.1Confident86.9Confident116 Ų11656 Ų5654%0.54228%0.284SS..Hα-helixtrans-61.2-51.4175.5-160.477-0.200110.6N1182 G1186 L1187 E1188 N1217N1182-Q1184 PolarHBondContact O-N 3.39Å; Q1184-G1186 VanDerWaalsContact C-N 3.33Å; Q1184-G1186 PolarHBondContact O-N 2.79Å; Q1184-L1187 PolarHBondContact O-N 2.84Å; Q1184-E1188 PolarHBondContact O-N 2.54Å; Q1184-N1217 PolarHBondContact OE1-ND2 3Å
1185R86.8Confident86.6Confident113 Ų11360.6 Ų60.643%0.42632%0.317SS..Hα-helixtrans-66.4-34.7176.4-174.655.8177.4-176.42.3112.4N1182 L1187 E1188 I1189N1182-R1185 HydrophobicContact CB-CB 4.5Å; N1182-R1185 PolarHBondContact O-N 3.24Å; N1182-R1185 WeakPolarHBondContact OD1-CB 3.34Å; N1182-R1185 PolarHBondContact OD1-N 3.26Å; N1182-R1185 VanDerWaalsContact OD1-N 3.07Å; R1185-L1187 VanDerWaalsContact C-N 3.3Å; R1185-L1187 PolarHBondContact O-N 2.74Å; R1185-E1188 WeakPolarHBondContact CD-OE2 3.4Å; R1185-E1188 IonicContact CZ-OE2 3.46Å; R1185-E1188 IonicContact NE-OE2 3.06Å; R1185-E1188 IonicContact NH1-OE2 3.49Å; R1185-E1188 PolarHBondContact NH1-OE2 3.21Å; R1185-E1188 WeakPolarHBondContact O-CB 3.38Å; R1185-E1188 PolarHBondContact O-N 2.91Å; R1185-I1189 HydrophobicContact CG-CD1 4.03Å; R1185-I1189 WeakPolarHBondContact O-CG1 3.26Å; R1185-I1189 PolarHBondContact O-N 3.04Å; R1185-I1189 VanDerWaalsContact O-N 3.1Å
1186G87.3Confident86Confident0 Ų064.1 Ų64.10%034%0.341CS..Hα-helixtrans-59.7-37.1172.600000113.4N1182 Y1183 Q1184 H1190N1182-G1186 PolarHBondContact O-N 3.2Å; N1182-G1186 VanDerWaalsContact O-N 3.11Å; Y1183-G1186 PolarHBondContact O-N 3.43Å; Q1184-G1186 VanDerWaalsContact C-N 3.33Å; Q1184-G1186 PolarHBondContact O-N 2.79Å; G1186-H1190 VanDerWaalsContact O-CB 3.25Å; G1186-H1190 WeakPolarHBondContact O-CB 3.45Å; G1186-H1190 PolarHBondContact O-N 2.85Å
1187L88.1Confident85.7Confident31 Ų3156.8 Ų56.816%0.16232%0.317CS..Hα-helixtrans-73.1-30.3176.7-74.2163.9000113.4Y1183 Q1184 R1185 T1191 K1210 M1213Y1183-L1187 WeakPolarHBondContact O-CG 3.45Å; Y1183-L1187 PolarHBondContact O-N 3.19Å; Q1184-L1187 PolarHBondContact O-N 2.84Å; R1185-L1187 VanDerWaalsContact C-N 3.3Å; R1185-L1187 PolarHBondContact O-N 2.74Å; L1187-T1191 PolarHBondContact O-N 3.24Å; L1187-T1191 VanDerWaalsContact O-N 3.13Å; L1187-T1191 PolarHBondContact O-OG1 3.15Å; L1187-K1210 HydrophobicContact CD2-CG 3.95Å; L1187-M1213 HydrophobicContact CD2-CB 4.29Å; L1187-M1213 HydrophobicContact CD2-CE 3.99Å; L1187-M1213 HydrophobicContact CG-CB 4.37Å; L1187-M1213 HydrophobicContact CG-CE 4.21Å
1188E88.2Confident85.3Confident95 Ų9560.3 Ų60.344%0.44434%0.335SS..Hα-helixtrans-65.6-52171.5-67170.4-175.300110.8Q1184 R1185 H1190 T1191 Q1192Q1184-E1188 PolarHBondContact O-N 2.54Å; R1185-E1188 WeakPolarHBondContact CD-OE2 3.4Å; R1185-E1188 IonicContact CZ-OE2 3.46Å; R1185-E1188 IonicContact NE-OE2 3.06Å; R1185-E1188 IonicContact NH1-OE2 3.49Å; R1185-E1188 PolarHBondContact NH1-OE2 3.21Å; R1185-E1188 WeakPolarHBondContact O-CB 3.38Å; R1185-E1188 PolarHBondContact O-N 2.91Å; E1188-H1190 VanDerWaalsContact C-N 3.34Å; E1188-H1190 PolarHBondContact O-N 3.42Å; E1188-T1191 WeakPolarHBondContact O-CB 3.14Å; E1188-T1191 PolarHBondContact O-N 3.26Å; E1188-T1191 VanDerWaalsContact O-N 3.1Å; E1188-Q1192 PolarHBondContact O-N 2.95Å
1189I87.4Confident84.9Confident3 Ų368 Ų682%0.01537%0.369CS..Hα-helixtrans-63-40.9178.8-62.2158.1000110.7E1173 I1174 R1185 T1191 Q1192 V1193E1173-I1189 HydrophobicContact CB-CD1 4.36Å; E1173-I1189 HydrophobicContact CB-CG2 4.35Å; E1173-I1189 HydrophobicContact CG-CD1 3.78Å; I1174-I1189 HydrophobicContact CD1-CG2 4.3Å; I1174-I1189 HydrophobicContact CG1-CB 4.11Å; I1174-I1189 HydrophobicContact CG1-CG2 3.79Å; R1185-I1189 HydrophobicContact CG-CD1 4.03Å; R1185-I1189 WeakPolarHBondContact O-CG1 3.26Å; R1185-I1189 PolarHBondContact O-N 3.04Å; R1185-I1189 VanDerWaalsContact O-N 3.1Å; I1189-T1191 VanDerWaalsContact C-N 3.29Å; I1189-T1191 PolarHBondContact O-N 3.05Å; I1189-Q1192 PolarHBondContact O-N 2.97Å; I1189-V1193 HydrophobicContact CG2-CG2 4.21Å; I1189-V1193 WeakPolarHBondContact O-CG2 3.43Å; I1189-V1193 PolarHBondContact O-N 2.85Å
1190H89.3Confident84.6Confident8 Ų868.8 Ų68.84%0.03737%0.37CS..Hα-helixtrans-52.9-46.8171.7176.2-85.9000112.2I1174 G1186 E1188 V1193 V1194 M1206 M1213I1174-H1190 HydrophobicContact CD1-CB 4.14Å; G1186-H1190 VanDerWaalsContact O-CB 3.25Å; G1186-H1190 WeakPolarHBondContact O-CB 3.45Å; G1186-H1190 PolarHBondContact O-N 2.85Å; E1188-H1190 VanDerWaalsContact C-N 3.34Å; E1188-H1190 PolarHBondContact O-N 3.42Å; H1190-V1193 PolarHBondContact O-N 2.85Å; H1190-V1194 WeakPolarHBondContact O-CB 3.26Å; H1190-V1194 VanDerWaalsContact O-CG2 3.28Å; H1190-V1194 WeakPolarHBondContact O-CG2 3.1Å; H1190-V1194 PolarHBondContact O-N 2.91Å; H1190-M1206 PolarHBondContact CD2-SD 3.48Å; H1190-M1206 PolarHBondContact NE2-O 2.9Å; H1190-M1213 HydrophobicContact CB-CE 4Å
1191T89.1Confident84.2Confident75 Ų7567 Ų6746%0.4635%0.353SS..Hα-helixtrans-66.1-41.1179.6-55.60000111.2L1187 E1188 I1189 V1194 S1195L1187-T1191 PolarHBondContact O-N 3.24Å; L1187-T1191 VanDerWaalsContact O-N 3.13Å; L1187-T1191 PolarHBondContact O-OG1 3.15Å; E1188-T1191 WeakPolarHBondContact O-CB 3.14Å; E1188-T1191 PolarHBondContact O-N 3.26Å; E1188-T1191 VanDerWaalsContact O-N 3.1Å; I1189-T1191 VanDerWaalsContact C-N 3.29Å; I1189-T1191 PolarHBondContact O-N 3.05Å; T1191-V1194 PolarHBondContact O-N 3.08Å; T1191-S1195 WeakPolarHBondContact O-CB 3.35Å; T1191-S1195 PolarHBondContact O-N 2.84Å; T1191-S1195 PolarHBondContact O-OG 2.82Å
1192Q85.8Confident84.2Confident123 Ų12361.9 Ų61.958%0.57533%0.329SS*.Hα-helixtrans-60.3-50.9174.8-174.8175.6-11.600111.6E1188 I1189 V1194 S1195 S1196E1188-Q1192 PolarHBondContact O-N 2.95Å; I1189-Q1192 PolarHBondContact O-N 2.97Å; Q1192-V1194 PolarHBondContact O-N 2.93Å; Q1192-S1195 PolarHBondContact O-N 3.33Å; Q1192-S1195 VanDerWaalsContact O-N 3.1Å; Q1192-S1195 PolarHBondContact O-OG 2.81Å; Q1192-S1196 PolarHBondContact O-N 3.29Å; Q1192-S1196 VanDerWaalsContact O-N 3.15Å; Q1192-S1196 PolarHBondContact O-OG 3.37Å; Q1192-S1196 VanDerWaalsContact O-OG 3.13Å
1193V86Confident83.9Confident10 Ų1060.6 Ų60.66%0.06133%0.327CS..Hα-helixtrans-61.7-42.2179.3178.20000111.2I1189 H1190 S1195 S1196 S1197 M1206I1189-V1193 HydrophobicContact CG2-CG2 4.21Å; I1189-V1193 WeakPolarHBondContact O-CG2 3.43Å; I1189-V1193 PolarHBondContact O-N 2.85Å; H1190-V1193 PolarHBondContact O-N 2.85Å; V1193-S1195 VanDerWaalsContact C-N 3.3Å; V1193-S1195 PolarHBondContact O-N 2.96Å; V1193-S1196 PolarHBondContact O-N 3.29Å; V1193-S1196 PolarHBondContact O-OG 2.97Å; V1193-S1197 WeakPolarHBondContact O-CB 3.44Å; V1193-S1197 PolarHBondContact O-N 3.24Å; V1193-S1197 PolarHBondContact O-OG 3.36Å; V1193-M1206 HydrophobicContact CB-CE 3.76Å; V1193-M1206 HydrophobicContact CG1-CE 3.39Å
1194V85.5Confident83.6Confident60 Ų6062.1 Ų62.136%0.36434%0.34SS..Hα-helixtrans-63-36.1175.6170.10000111.8H1190 T1191 Q1192 S1196 I1202 M1206H1190-V1194 WeakPolarHBondContact O-CB 3.26Å; H1190-V1194 VanDerWaalsContact O-CG2 3.28Å; H1190-V1194 WeakPolarHBondContact O-CG2 3.1Å; H1190-V1194 PolarHBondContact O-N 2.91Å; T1191-V1194 PolarHBondContact O-N 3.08Å; Q1192-V1194 PolarHBondContact O-N 2.93Å; V1194-S1196 VanDerWaalsContact C-N 3.32Å; V1194-S1196 PolarHBondContact O-N 3.26Å; V1194-I1202 HydrophobicContact CB-CD1 4.35Å; V1194-I1202 HydrophobicContact CG1-CD1 4.19Å; V1194-I1202 HydrophobicContact CG2-CD1 4.28Å; V1194-M1206 HydrophobicContact CG2-CB 4.09Å; V1194-M1206 HydrophobicContact CG2-CE 4.39Å; V1194-M1206 HydrophobicContact CG2-CG 4.1Å
1195S83.4Confident83.5Confident98 Ų9856.6 Ų56.669%0.68531%0.314SS*.Hα-helixtrans-73.4-19.9178.473.90000114.7T1191 Q1192 V1193T1191-S1195 WeakPolarHBondContact O-CB 3.35Å; T1191-S1195 PolarHBondContact O-N 2.84Å; T1191-S1195 PolarHBondContact O-OG 2.82Å; Q1192-S1195 PolarHBondContact O-N 3.33Å; Q1192-S1195 VanDerWaalsContact O-N 3.1Å; Q1192-S1195 PolarHBondContact O-OG 2.81Å; V1193-S1195 VanDerWaalsContact C-N 3.3Å; V1193-S1195 PolarHBondContact O-N 2.96Å
1196S79.6Confident83.6Confident76 Ų7651.4 Ų51.453%0.53130%0.295SS..Hα-helixtrans-114.14.5-173.166.80000114.7Q1192 V1193 V1194Q1192-S1196 PolarHBondContact O-N 3.29Å; Q1192-S1196 VanDerWaalsContact O-N 3.15Å; Q1192-S1196 PolarHBondContact O-OG 3.37Å; Q1192-S1196 VanDerWaalsContact O-OG 3.13Å; V1193-S1196 PolarHBondContact O-N 3.29Å; V1193-S1196 PolarHBondContact O-OG 2.97Å; V1194-S1196 VanDerWaalsContact C-N 3.32Å; V1194-S1196 PolarHBondContact O-N 3.26Å
1197S82.4Confident83.6Confident23 Ų2355 Ų5516%0.16132%0.318CS..SBendtrans-124.6154.4-171.3-52.70000112.9I1167 V1193 F1199I1167-S1197 WeakPolarHBondContact CG1-OG 3.44Å; V1193-S1197 WeakPolarHBondContact O-CB 3.44Å; V1193-S1197 PolarHBondContact O-N 3.24Å; V1193-S1197 PolarHBondContact O-OG 3.36Å; S1197-F1199 PolarHBondContact O-N 3.45Å
1198N77.9Confident83.5Confident88 Ų8854.5 Ų54.547%0.47132%0.316SS..  trans-64124.3179.3179.44000112S1200 E1201 I1202N1198-S1200 PolarHBondContact O-N 2.83Å; N1198-S1200 PolarHBondContact OD1-N 3.43Å; N1198-E1201 HydrophobicContact CB-CG 4.45Å; N1198-E1201 VanDerWaalsContact CB-OE1 3.25Å; N1198-E1201 WeakPolarHBondContact CB-OE1 3.31Å; N1198-E1201 PolarHBondContact ND2-OE1 3.05Å; N1198-E1201 PolarHBondContact O-N 3.21Å; N1198-I1202 PolarHBondContact O-N 3.35Å
1199F76.5Confident83.5Confident162 Ų16250 Ų5071%0.71130%0.295SS*.Hα-helixtrans-56.1-34.1-177.5-174-101.1000113.6S1197 E1201 S1203S1197-F1199 PolarHBondContact O-N 3.45Å; F1199-E1201 VanDerWaalsContact C-N 3.34Å; F1199-E1201 PolarHBondContact O-N 2.84Å; F1199-S1203 WeakPolarHBondContact O-CB 3.39Å; F1199-S1203 PolarHBondContact O-N 2.75Å; F1199-S1203 VanDerWaalsContact O-N 3.11Å; F1199-S1203 PolarHBondContact O-OG 3.3Å
1200S77.5Confident83.6Confident86 Ų8654.6 Ų54.660%0.60131%0.314SS*.Hα-helixtrans-66.8-32.8178.3-167.90000113K1157 N1198K1157-S1200 PolarHBondContact NZ-O 2.68Å; N1198-S1200 PolarHBondContact O-N 2.83Å; N1198-S1200 PolarHBondContact OD1-N 3.43Å
1201E75.9Confident83.5Confident42 Ų4257.5 Ų57.520%0.19633%0.333CS..Hα-helixtrans-72.9-48.4177.5-76.3161.4-115.200111.2K1157 S1164 I1167 N1198 F1199 F1205K1157-E1201 PolarHBondContact NZ-O 3.09Å; S1164-E1201 WeakPolarHBondContact CB-OE2 3.38Å; S1164-E1201 PolarHBondContact N-OE2 2.98Å; S1164-E1201 PolarHBondContact OG-OE2 3Å; I1167-E1201 HydrophobicContact CD1-CB 3.69Å; I1167-E1201 HydrophobicContact CD1-CG 4.42Å; I1167-E1201 VanDerWaalsContact CD1-OE2 3.24Å; I1167-E1201 WeakPolarHBondContact CD1-OE2 3.31Å; N1198-E1201 HydrophobicContact CB-CG 4.45Å; N1198-E1201 VanDerWaalsContact CB-OE1 3.25Å; N1198-E1201 WeakPolarHBondContact CB-OE1 3.31Å; N1198-E1201 PolarHBondContact ND2-OE1 3.05Å; N1198-E1201 PolarHBondContact O-N 3.21Å; F1199-E1201 VanDerWaalsContact C-N 3.34Å; F1199-E1201 PolarHBondContact O-N 2.84Å; E1201-F1205 WeakPolarHBondContact O-CE1 3.49Å
1202I81.4Confident83.5Confident6 Ų654 Ų543%0.03131%0.311CS..Hα-helixtrans-87.1-26.1-166.863-178.8000115.9I1167 V1194 N1198 A1204 F1205 M1206I1167-I1202 HydrophobicContact CD1-CG2 3.69Å; I1167-I1202 HydrophobicContact CG1-CG2 4.2Å; I1167-I1202 HydrophobicContact CG2-CG2 4.49Å; V1194-I1202 HydrophobicContact CB-CD1 4.35Å; V1194-I1202 HydrophobicContact CG1-CD1 4.19Å; V1194-I1202 HydrophobicContact CG2-CD1 4.28Å; N1198-I1202 PolarHBondContact O-N 3.35Å; I1202-A1204 VanDerWaalsContact C-N 3.26Å; I1202-A1204 PolarHBondContact O-N 2.77Å; I1202-A1204 VanDerWaalsContact O-N 3.15Å; I1202-F1205 PolarHBondContact O-N 3.45Å; I1202-M1206 HydrophobicContact CB-CB 4.24Å; I1202-M1206 HydrophobicContact CB-CG 3.76Å; I1202-M1206 HydrophobicContact CG2-CG 4.2Å; I1202-M1206 WeakPolarHBondContact O-CB 3.48Å; I1202-M1206 PolarHBondContact O-N 2.78Å
1203S81.6Confident83.6Confident51 Ų5148.2 Ų48.236%0.35728%0.284SS..THydrogen-bonded Turntrans-58.2-32.4-167.547.90000114.4F1199 F1205 P1207F1199-S1203 WeakPolarHBondContact O-CB 3.39Å; F1199-S1203 PolarHBondContact O-N 2.75Å; F1199-S1203 VanDerWaalsContact O-N 3.11Å; F1199-S1203 PolarHBondContact O-OG 3.3Å; S1203-F1205 PolarHBondContact O-N 3.09Å; S1203-P1207 VanDerWaalsContact O-CD 3.27Å; S1203-P1207 WeakPolarHBondContact O-CD 3.34Å; S1203-P1207 WeakPolarHBondContact O-CG 3.22Å
1204A80.1Confident83.7Confident38 Ų3850.2 Ų50.231%0.31430%0.297SS..THydrogen-bonded Turntrans-69.4-25.6-17800000114.9I1202 I1208I1202-A1204 VanDerWaalsContact C-N 3.26Å; I1202-A1204 PolarHBondContact O-N 2.77Å; I1202-A1204 VanDerWaalsContact O-N 3.15Å; A1204-I1208 WeakPolarHBondContact O-CD1 3.4Å
1205F84.7Confident83.8Confident0 Ų048.5 Ų48.50%029%0.285CS..THydrogen-bonded Turntrans-133.1-29.9-171.964.6-96000115.2L1154 K1157 L1163 I1167 L1171 E1201 I1202 S1203 P1207 I1208 L1209L1154-F1205 HydrophobicContact CB-CB 3.9Å; L1154-F1205 HydrophobicContact CB-CD1 4.44Å; L1154-F1205 HydrophobicContact CB-CG 4.05Å; L1154-F1205 HydrophobicContact CD1-CD1 4.12Å; L1154-F1205 HydrophobicContact CD1-CD2 3.89Å; L1154-F1205 HydrophobicContact CD1-CE1 4.16Å; L1154-F1205 HydrophobicContact CD1-CE2 3.94Å; L1154-F1205 HydrophobicContact CD1-CG 4Å; L1154-F1205 HydrophobicContact CD1-CZ 4.07Å; L1154-F1205 HydrophobicContact CD2-CD2 4.3Å; L1154-F1205 HydrophobicContact CG-CD2 4.46Å; L1154-F1205 HydrophobicContact CG-CG 4.44Å; K1157-F1205 HydrophobicContact CD-CE1 4.48Å; L1163-F1205 HydrophobicContact CD2-CE1 3.93Å; L1163-F1205 HydrophobicContact CD2-CZ 4.16Å; I1167-F1205 HydrophobicContact CG2-CZ 4.04Å; L1171-F1205 HydrophobicContact CD1-CE2 4.09Å; L1171-F1205 HydrophobicContact CD1-CZ 4.37Å; L1171-F1205 HydrophobicContact CD2-CE2 4.12Å; E1201-F1205 WeakPolarHBondContact O-CE1 3.49Å; I1202-F1205 PolarHBondContact O-N 3.45Å; S1203-F1205 PolarHBondContact O-N 3.09Å; F1205-P1207 VanDerWaalsContact C-CD 3.49Å; F1205-I1208 WeakPolarHBondContact O-CB 3.26Å; F1205-I1208 PolarHBondContact O-N 3.01Å; F1205-L1209 HydrophobicContact CD2-CD1 4Å; F1205-L1209 HydrophobicContact CE2-CD1 4.5Å; F1205-L1209 PolarHBondContact O-N 3.29Å; F1205-L1209 VanDerWaalsContact O-N 3.1Å
1206M87.8Confident83.8Confident4 Ų443.9 Ų43.92%0.0225%0.253CS..Hα-helixtrans-60.2-36.2-178.8-82.6-58.5-14400114.3I1174 H1190 V1193 V1194 I1202 I1208 L1209 K1210I1174-M1206 HydrophobicContact CD1-CE 4.33Å; H1190-M1206 PolarHBondContact CD2-SD 3.48Å; H1190-M1206 PolarHBondContact NE2-O 2.9Å; V1193-M1206 HydrophobicContact CB-CE 3.76Å; V1193-M1206 HydrophobicContact CG1-CE 3.39Å; V1194-M1206 HydrophobicContact CG2-CB 4.09Å; V1194-M1206 HydrophobicContact CG2-CE 4.39Å; V1194-M1206 HydrophobicContact CG2-CG 4.1Å; I1202-M1206 HydrophobicContact CB-CB 4.24Å; I1202-M1206 HydrophobicContact CB-CG 3.76Å; I1202-M1206 HydrophobicContact CG2-CG 4.2Å; I1202-M1206 WeakPolarHBondContact O-CB 3.48Å; I1202-M1206 PolarHBondContact O-N 2.78Å; M1206-I1208 VanDerWaalsContact C-N 3.3Å; M1206-I1208 PolarHBondContact O-N 3.06Å; M1206-L1209 PolarHBondContact O-N 3.1Å; M1206-L1209 HydrophobicContact SD-CD1 3.99Å; M1206-K1210 PolarHBondContact O-N 2.69Å; M1206-K1210 VanDerWaalsContact O-N 3.14Å
1207P86.9Confident84.2Confident75 Ų7543.7 Ų43.749%0.48725%0.246SC..Hα-helixtrans-60.8-37.9172.9-2535.9000112.9S1203 F1205 K1210 V1211S1203-P1207 VanDerWaalsContact O-CD 3.27Å; S1203-P1207 WeakPolarHBondContact O-CD 3.34Å; S1203-P1207 WeakPolarHBondContact O-CG 3.22Å; F1205-P1207 VanDerWaalsContact C-CD 3.49Å; P1207-K1210 PolarHBondContact O-N 3.15Å; P1207-V1211 WeakPolarHBondContact O-CG2 3.37Å; P1207-V1211 PolarHBondContact O-N 3.39Å; P1207-V1211 VanDerWaalsContact O-N 3.08Å
1208I87.1Confident84.2Confident21 Ų2150.9 Ų50.911%0.10827%0.274CS..Hα-helixtrans-68.2-44.5179-64.5107.4000111.1A1147 R1150 L1151 A1204 F1205 M1206 K1210 V1211 L1212A1147-I1208 HydrophobicContact CB-CG2 3.68Å; R1150-I1208 HydrophobicContact CB-CD1 3.77Å; R1150-I1208 HydrophobicContact CB-CG1 3.87Å; L1151-I1208 HydrophobicContact CG-CG2 4.26Å; A1204-I1208 WeakPolarHBondContact O-CD1 3.4Å; F1205-I1208 WeakPolarHBondContact O-CB 3.26Å; F1205-I1208 PolarHBondContact O-N 3.01Å; M1206-I1208 VanDerWaalsContact C-N 3.3Å; M1206-I1208 PolarHBondContact O-N 3.06Å; I1208-K1210 VanDerWaalsContact C-N 3.3Å; I1208-K1210 PolarHBondContact O-N 2.98Å; I1208-V1211 PolarHBondContact O-N 3.43Å; I1208-L1212 WeakPolarHBondContact O-CB 3.38Å; I1208-L1212 PolarHBondContact O-N 2.69Å
1209L88.3Confident84.4Confident1 Ų149.7 Ų49.71%0.00527%0.267CS..Hα-helixtrans-59.8-39.7175.7-72174.7000112.2F1124 L1151 L1154 L1171 F1205 M1206 L1212 M1213F1124-L1209 HydrophobicContact CD1-CD2 3.85Å; F1124-L1209 HydrophobicContact CD2-CD2 4.03Å; F1124-L1209 HydrophobicContact CE1-CD2 3.8Å; F1124-L1209 HydrophobicContact CE2-CD2 3.98Å; F1124-L1209 HydrophobicContact CG-CD2 3.99Å; F1124-L1209 HydrophobicContact CZ-CD1 4.45Å; F1124-L1209 HydrophobicContact CZ-CD2 3.88Å; L1151-L1209 HydrophobicContact CD2-CD2 3.83Å; L1151-L1209 HydrophobicContact CD2-CG 4.37Å; L1154-L1209 HydrophobicContact CD2-CD1 4.32Å; L1171-L1209 HydrophobicContact CD2-CD1 3.49Å; L1171-L1209 VanDerWaalsContact CD2-CD1 3.49Å; F1205-L1209 HydrophobicContact CD2-CD1 4Å; F1205-L1209 HydrophobicContact CE2-CD1 4.5Å; F1205-L1209 PolarHBondContact O-N 3.29Å; F1205-L1209 VanDerWaalsContact O-N 3.1Å; M1206-L1209 PolarHBondContact O-N 3.1Å; M1206-L1209 HydrophobicContact SD-CD1 3.99Å; L1209-L1212 PolarHBondContact O-N 2.93Å; L1209-M1213 WeakPolarHBondContact O-CG 3.41Å; L1209-M1213 PolarHBondContact O-N 3.08Å
1210K89.3Confident84.4Confident99 Ų9945.4 Ų45.443%0.4327%0.269SS..Hα-helixtrans-62.5-45.2174.5-172.2164.8-176.3161.50112L1187 M1206 P1207 I1208 T1214L1187-K1210 HydrophobicContact CD2-CG 3.95Å; M1206-K1210 PolarHBondContact O-N 2.69Å; M1206-K1210 VanDerWaalsContact O-N 3.14Å; P1207-K1210 PolarHBondContact O-N 3.15Å; I1208-K1210 VanDerWaalsContact C-N 3.3Å; I1208-K1210 PolarHBondContact O-N 2.98Å; K1210-T1214 VanDerWaalsContact O-CB 3.28Å; K1210-T1214 WeakPolarHBondContact O-CB 3.41Å; K1210-T1214 PolarHBondContact O-N 2.73Å; K1210-T1214 PolarHBondContact O-OG1 3.49Å
1211V87.8Confident84Confident70 Ų7042.5 Ų42.542%0.42425%0.248SC..Hα-helixtrans-62.5-45.9176.6169.70000110.8P1207 I1208 T1214 I1215P1207-V1211 WeakPolarHBondContact O-CG2 3.37Å; P1207-V1211 PolarHBondContact O-N 3.39Å; P1207-V1211 VanDerWaalsContact O-N 3.08Å; I1208-V1211 PolarHBondContact O-N 3.43Å; V1211-T1214 PolarHBondContact O-N 2.91Å; V1211-I1215 HydrophobicContact CG1-CD1 3.71Å; V1211-I1215 HydrophobicContact CG1-CG1 4.45Å; V1211-I1215 WeakPolarHBondContact O-CG1 3.34Å; V1211-I1215 PolarHBondContact O-N 3.17Å
1212L87.9Confident84.4Confident1 Ų142.6 Ų42.61%0.00525%0.25CS..Hα-helixtrans-61.3-49-179.6-178.561.9000112.1L1127 V1128 L1144 L1151 I1208 L1209 T1214 I1215 A1216L1127-L1212 HydrophobicContact CB-CD2 4.48Å; L1127-L1212 HydrophobicContact CD2-CD1 4.48Å; L1127-L1212 HydrophobicContact CD2-CD2 3.92Å; L1127-L1212 HydrophobicContact CD2-CG 3.78Å; L1127-L1212 HydrophobicContact CG-CD1 4.37Å; L1127-L1212 HydrophobicContact CG-CD2 4.33Å; L1127-L1212 HydrophobicContact CG-CG 4.18Å; V1128-L1212 HydrophobicContact CG2-CD1 3.79Å; V1128-L1212 HydrophobicContact CG2-CD2 3.73Å; V1128-L1212 HydrophobicContact CG2-CG 4.43Å; L1144-L1212 HydrophobicContact CD2-CD1 3.67Å; L1151-L1212 HydrophobicContact CD1-CD2 4.2Å; I1208-L1212 WeakPolarHBondContact O-CB 3.38Å; I1208-L1212 PolarHBondContact O-N 2.69Å; L1209-L1212 PolarHBondContact O-N 2.93Å; L1212-T1214 VanDerWaalsContact C-N 3.34Å; L1212-T1214 PolarHBondContact O-N 3.43Å; L1212-I1215 PolarHBondContact O-N 2.89Å; L1212-A1216 PolarHBondContact O-N 3.33Å
1213M88.9Confident84.5Confident2 Ų244.5 Ų44.51%0.0126%0.262CS..Hα-helixtrans-66.2-34.7176.5-67.5-168.1-61.500112.6I1174 V1178 Y1183 L1187 H1190 L1209 I1215 A1216 N1217I1174-M1213 HydrophobicContact CG2-CE 4.13Å; I1174-M1213 HydrophobicContact CG2-SD 3.73Å; V1178-M1213 HydrophobicContact CG2-CG 4.14Å; V1178-M1213 HydrophobicContact CG2-SD 3.96Å; Y1183-M1213 HydrophobicContact CD1-CB 4.44Å; Y1183-M1213 HydrophobicContact CD1-CG 4.37Å; L1187-M1213 HydrophobicContact CD2-CB 4.29Å; L1187-M1213 HydrophobicContact CD2-CE 3.99Å; L1187-M1213 HydrophobicContact CG-CB 4.37Å; L1187-M1213 HydrophobicContact CG-CE 4.21Å; H1190-M1213 HydrophobicContact CB-CE 4Å; L1209-M1213 WeakPolarHBondContact O-CG 3.41Å; L1209-M1213 PolarHBondContact O-N 3.08Å; M1213-I1215 VanDerWaalsContact C-N 3.34Å; M1213-A1216 PolarHBondContact O-N 3.26Å; M1213-N1217 WeakPolarHBondContact O-CB 3.23Å; M1213-N1217 PolarHBondContact O-N 2.89Å
1214T87.5Confident84.7Confident52 Ų5244.1 Ų44.132%0.31926%0.257SS..Hα-helixtrans-67.1-35.1175.3-55.80000111.8K1210 V1211 L1212 K1218K1210-T1214 VanDerWaalsContact O-CB 3.28Å; K1210-T1214 WeakPolarHBondContact O-CB 3.41Å; K1210-T1214 PolarHBondContact O-N 2.73Å; K1210-T1214 PolarHBondContact O-OG1 3.49Å; V1211-T1214 PolarHBondContact O-N 2.91Å; L1212-T1214 VanDerWaalsContact C-N 3.34Å; L1212-T1214 PolarHBondContact O-N 3.43Å; T1214-K1218 WeakPolarHBondContact O-CB 3.46Å; T1214-K1218 WeakPolarHBondContact O-CG 3.4Å; T1214-K1218 PolarHBondContact O-N 3.19Å
1215I86.6Confident85Confident24 Ų2444.5 Ų44.512%0.12325%0.253CS..Hα-helixtrans-71.8-44.9174.1-69.2168.5000110.3T1140 K1143 L1144 V1211 L1212 M1213 N1217 K1218 L1219T1140-I1215 HydrophobicContact CG2-CG2 4.02Å; K1143-I1215 HydrophobicContact CB-CD1 4.49Å; L1144-I1215 HydrophobicContact CD1-CG2 4.25Å; L1144-I1215 HydrophobicContact CD2-CD1 4.29Å; L1144-I1215 HydrophobicContact CD2-CG2 4.03Å; L1144-I1215 HydrophobicContact CG-CD1 4.45Å; L1144-I1215 HydrophobicContact CG-CG2 4.35Å; V1211-I1215 HydrophobicContact CG1-CD1 3.71Å; V1211-I1215 HydrophobicContact CG1-CG1 4.45Å; V1211-I1215 WeakPolarHBondContact O-CG1 3.34Å; V1211-I1215 PolarHBondContact O-N 3.17Å; L1212-I1215 PolarHBondContact O-N 2.89Å; M1213-I1215 VanDerWaalsContact C-N 3.34Å; I1215-N1217 PolarHBondContact O-N 3.18Å; I1215-K1218 PolarHBondContact O-N 3.32Å; I1215-K1218 VanDerWaalsContact O-N 3.1Å; I1215-L1219 HydrophobicContact CG2-CD1 3.63Å; I1215-L1219 HydrophobicContact CG2-CG 4.21Å; I1215-L1219 WeakPolarHBondContact O-CG 3.08Å; I1215-L1219 PolarHBondContact O-N 3.46Å
1216A85.3Confident85Confident0 Ų047.3 Ų47.30%027%0.269CS..Hα-helixtrans-57.2-48176.800000112.4L1127 Y1183 L1212 M1213 K1218 L1219 G1220L1127-A1216 HydrophobicContact CD1-CB 3.82Å; L1127-A1216 HydrophobicContact CD2-CB 4.38Å; L1127-A1216 HydrophobicContact CG-CB 4.39Å; Y1183-A1216 HydrophobicContact CD1-CB 4.01Å; Y1183-A1216 HydrophobicContact CD2-CB 4.34Å; Y1183-A1216 HydrophobicContact CE1-CB 3.8Å; Y1183-A1216 HydrophobicContact CE2-CB 4.16Å; Y1183-A1216 HydrophobicContact CG-CB 4.29Å; L1212-A1216 PolarHBondContact O-N 3.33Å; M1213-A1216 PolarHBondContact O-N 3.26Å; A1216-K1218 PolarHBondContact O-N 2.84Å; A1216-L1219 PolarHBondContact O-N 3.42Å; A1216-L1219 VanDerWaalsContact O-N 3.11Å; A1216-G1220 PolarHBondContact O-N 3.26Å
1217N86.3Confident84.8Confident73 Ų7350.1 Ų50.139%0.3929%0.286SS..Hα-helixtrans-62.9-29.1177.5-159.321.9000112.6Y1183 Q1184 M1213 I1215Y1183-N1217 HydrophobicContact CG-CB 4.43Å; Q1184-N1217 PolarHBondContact OE1-ND2 3Å; M1213-N1217 WeakPolarHBondContact O-CB 3.23Å; M1213-N1217 PolarHBondContact O-N 2.89Å; I1215-N1217 PolarHBondContact O-N 3.18Å
1218K83.6Confident84.6Confident173 Ų17348.4 Ų48.475%0.75227%0.272SS*.Hα-helixtrans-82-21.1175-77.8-176.5175.8-168.80114.4T1214 I1215 A1216T1214-K1218 WeakPolarHBondContact O-CB 3.46Å; T1214-K1218 WeakPolarHBondContact O-CG 3.4Å; T1214-K1218 PolarHBondContact O-N 3.19Å; I1215-K1218 PolarHBondContact O-N 3.32Å; I1215-K1218 VanDerWaalsContact O-N 3.1Å; A1216-K1218 PolarHBondContact O-N 2.84Å
1219L81.9Confident84.5Confident63 Ų6350.5 Ų50.533%0.3328%0.284SS..Hα-helixtrans-97.5-14.2178.9-66.7176.2000113.1C1131 A1134 A1135 I1215 A1216 V1221C1131-L1219 HydrophobicContact CB-CD1 4.3Å; A1134-L1219 HydrophobicContact CB-CB 4.47Å; A1134-L1219 HydrophobicContact CB-CD1 4.44Å; A1135-L1219 HydrophobicContact CB-CD1 4.13Å; I1215-L1219 HydrophobicContact CG2-CD1 3.63Å; I1215-L1219 HydrophobicContact CG2-CG 4.21Å; I1215-L1219 WeakPolarHBondContact O-CG 3.08Å; I1215-L1219 PolarHBondContact O-N 3.46Å; A1216-L1219 PolarHBondContact O-N 3.42Å; A1216-L1219 VanDerWaalsContact O-N 3.11Å; L1219-V1221 HydrophobicContact CB-CG2 3.52Å
1220G75.6Confident84.1Confident73 Ų7354.6 Ų54.675%0.75331%0.307SS*.THydrogen-bonded Turntrans71.942.9178.400000113.6A1216A1216-G1220 PolarHBondContact O-N 3.26Å
1221V68.9Low83.7Confident25 Ų2550.5 Ų50.515%0.15230%0.296CS..  trans-99.70-161.6167.60000115R1130 A1134 Q1181 Y1183 L1219R1130-V1221 HydrophobicContact CB-CG1 3.38Å; R1130-V1221 HydrophobicContact CG-CG1 4.39Å; R1130-V1221 VanDerWaalsContact NH1-C 3.27Å; R1130-V1221 PolarHBondContact NH1-O 3.19Å; R1130-V1221 PolarHBondContact NH1-OXT 3.01Å; A1134-V1221 HydrophobicContact CB-CG2 3.5Å; A1134-V1221 VanDerWaalsContact CB-CG2 3.5Å; Q1181-V1221 PolarHBondContact NE2-O 3.49Å; Q1181-V1221 VanDerWaalsContact NE2-O 3.13Å; Q1181-V1221 PolarHBondContact NE2-OXT 2.83Å; Y1183-V1221 VanDerWaalsContact CE2-O 3.28Å; Y1183-V1221 WeakPolarHBondContact CE2-O 3.38Å; Y1183-V1221 PolarHBondContact OH-O 2.84Å; L1219-V1221 HydrophobicContact CB-CG2 3.52Å

Retrieved 1,221 of 1,221 residues in 2136.5 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).