A0A096NK55_PAPAN Loading...

BTB domain containing 6

AlphaFold DB (A0A2K6Q1U7), UniProt , Accession A0A096NK55, Species PAPAN (Papio anubis, Olive baboon), Gene BTBD6, Length 410 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
1M83.1Confident91.9Very high114 Ų11475.5 Ų75.556%0.56238%0.382SS*.  0-300-68.2-59-8700112.9N3 N4 M7 H26 Y70M1-N3 PolarHBondContact O-N 3.41Å; M1-N4 WeakPolarHBondContact O-CB 3.44Å; M1-M7 HydrophobicContact CE-CB 4.26Å; M1-M7 HydrophobicContact CE-SD 4.48Å; M1-H26 VanDerWaalsContact CE-NE2 3.3Å; M1-H26 WeakPolarHBondContact CE-NE2 3.29Å; M1-H26 PolarHBondContact O-CE1 2.99Å; M1-Y70 HydrophobicContact CB-CD1 4.19Å; M1-Y70 HydrophobicContact CB-CE1 4.16Å
2F89.3Confident92.2Very high75 Ų7569.2 Ų69.233%0.32935%0.35SS..THydrogen-bonded Turntrans-53.4134.8174.9169.5-106.9000113N4 L63 L66 K67 Y70F2-N4 VanDerWaalsContact C-N 3.29Å; F2-N4 PolarHBondContact O-N 3.4Å; F2-L63 HydrophobicContact CE2-CD2 4.49Å; F2-L63 HydrophobicContact CZ-CD2 4.12Å; F2-L66 HydrophobicContact CD2-CB 4.47Å; F2-L66 HydrophobicContact CD2-CD2 4.15Å; F2-L66 HydrophobicContact CD2-CG 3.97Å; F2-L66 HydrophobicContact CE2-CB 3.93Å; F2-L66 HydrophobicContact CE2-CD2 3.89Å; F2-L66 HydrophobicContact CE2-CG 3.84Å; F2-K67 HydrophobicContact CD2-CB 4.16Å; F2-K67 HydrophobicContact CE2-CB 3.71Å; F2-K67 HydrophobicContact CE2-CG 4.47Å; F2-K67 VanDerWaalsContact CE2-N 3.33Å; F2-K67 HydrophobicContact CZ-CB 3.92Å; F2-K67 HydrophobicContact CZ-CG 4.47Å; F2-Y70 HydrophobicContact CB-CD1 4.19Å; F2-Y70 HydrophobicContact CB-CG 4.27Å
3N89.3Confident92.5Very high54 Ų5465 Ų6529%0.28933%0.33SS..THydrogen-bonded Turntrans43.551.2176.1-171.246.5000113.2M1 P24M1-N3 PolarHBondContact O-N 3.41Å; N3-P24 WeakPolarHBondContact OD1-CD 3.39Å
4N90.6Very high92.8Very high71 Ų7160.4 Ų60.438%0.3831%0.306SS..  trans-133.2136.5-174.6-171.2-28.5000109.4M1 F2 L6M1-N4 WeakPolarHBondContact O-CB 3.44Å; F2-N4 VanDerWaalsContact C-N 3.29Å; F2-N4 PolarHBondContact O-N 3.4Å; N4-L6 VanDerWaalsContact C-N 3.27Å; N4-L6 PolarHBondContact O-N 3.18Å; N4-L6 VanDerWaalsContact OD1-CB 3.32Å; N4-L6 WeakPolarHBondContact OD1-CB 3.3Å; N4-L6 PolarHBondContact OD1-N 3.02Å
5E93.8Very high92.9Very high115 Ų11556.5 Ų56.554%0.53729%0.287SS..  trans-70.5-20.8178.1-68.5-64.9164.500113.4M7 A8 H11 P24E5-M7 PolarHBondContact O-N 3.06Å; E5-A8 PolarHBondContact O-N 3.4Å; E5-A8 VanDerWaalsContact O-N 3.15Å; E5-H11 IonicContact OE1-CD2 3.9Å; E5-H11 IonicContact OE1-NE2 2.89Å; E5-H11 IonicContact OE2-CD2 3.77Å; E5-H11 IonicContact OE2-CE1 2.64Å; E5-H11 IonicContact OE2-NE2 3.95Å; E5-H11 PolarHBondContact OE2-NE2 3.31Å; E5-P24 HydrophobicContact CG-CG 4.37Å
6L93.8Very high92.8Very high111 Ų11157.2 Ų57.258%0.58130%0.297SS*.THydrogen-bonded Turntrans-62.5111.8-179.7-178.366000110.4N4 A8 H26N4-L6 VanDerWaalsContact C-N 3.27Å; N4-L6 PolarHBondContact O-N 3.18Å; N4-L6 VanDerWaalsContact OD1-CB 3.32Å; N4-L6 WeakPolarHBondContact OD1-CB 3.3Å; N4-L6 PolarHBondContact OD1-N 3.02Å; L6-A8 PolarHBondContact O-N 3.31Å; L6-H26 PolarHBondContact O-NE2 3.29Å; L6-H26 VanDerWaalsContact O-NE2 3.15Å
7M92Very high92.6Very high149 Ų14961.1 Ų61.173%0.73433%0.327SS*.THydrogen-bonded Turntrans65.615.6-177.4-53.4177.864.300115.2M1 E5 D9 H26M1-M7 HydrophobicContact CE-CB 4.26Å; M1-M7 HydrophobicContact CE-SD 4.48Å; E5-M7 PolarHBondContact O-N 3.06Å; M7-D9 PolarHBondContact O-N 3.37Å; M7-H26 PolarHBondContact O-CD2 2.98Å
8A94Very high92.3Very high23 Ų2362.4 Ų62.419%0.1936%0.358CS..  trans-62.8131171.900000110.4E5 L6 P24 A25E5-A8 PolarHBondContact O-N 3.4Å; E5-A8 VanDerWaalsContact O-N 3.15Å; L6-A8 PolarHBondContact O-N 3.31Å; A8-P24 HydrophobicContact CB-CB 3.8Å; A8-A25 WeakPolarHBondContact CA-O 3.49Å
9D93.9Very high92.2Very high71 Ų7162.5 Ų62.538%0.3837%0.367SS..  trans-121.17.5-178.864.3-7.1000112.5M7 A25 H26 K27M7-D9 PolarHBondContact O-N 3.37Å; D9-A25 PolarHBondContact N-O 3.04Å; D9-A25 VanDerWaalsContact N-O 3.15Å; D9-H26 VanDerWaalsContact OD1-CA 3.22Å; D9-H26 WeakPolarHBondContact OD1-CA 3.26Å; D9-K27 WeakPolarHBondContact O-CE 3.19Å; D9-K27 WeakPolarHBondContact OD1-CG 3.45Å; D9-K27 PolarHBondContact OD1-N 2.89Å
10V94.6Very high92.3Very high0 Ų063.1 Ų63.10%037%0.371CS..EExtended strand (participates in β ladder)trans-152.3146.1170.363.60000111.4F12 A25 K27 L30 F41 S50 I52V10-F12 HydrophobicContact CG1-CE2 3.84Å; V10-F12 HydrophobicContact CG1-CZ 4.43Å; V10-F12 HydrophobicContact CG2-CE2 4.15Å; V10-F12 HydrophobicContact CG2-CZ 4.28Å; V10-A25 HydrophobicContact CG1-CB 3.99Å; V10-A25 PolarHBondContact N-O 2.91Å; V10-A25 PolarHBondContact O-N 3.36Å; V10-K27 HydrophobicContact CB-CG 3.96Å; V10-K27 HydrophobicContact CG1-CG 3.9Å; V10-L30 HydrophobicContact CG1-CD1 4.43Å; V10-F41 HydrophobicContact CB-CE1 4.48Å; V10-F41 HydrophobicContact CG1-CZ 4.18Å; V10-F41 HydrophobicContact CG2-CE1 3.98Å; V10-F41 HydrophobicContact CG2-CZ 4.14Å; V10-S50 CarbonylContact C-O 3.56Å; V10-S50 WeakPolarHBondContact CA-O 3.18Å; V10-I52 HydrophobicContact CG2-CD1 3.87Å; V10-I52 HydrophobicContact CG2-CG1 4.12Å
11H96.1Very high92.4Very high47 Ų4765.7 Ų65.722%0.21838%0.375CS..EExtended strand (participates in β ladder)trans-122.7129.1174.4-64.778.9000109.9E5 T22 S50 E51 I52E5-H11 IonicContact OE1-CD2 3.9Å; E5-H11 IonicContact OE1-NE2 2.89Å; E5-H11 IonicContact OE2-CD2 3.77Å; E5-H11 IonicContact OE2-CE1 2.64Å; E5-H11 IonicContact OE2-NE2 3.95Å; E5-H11 PolarHBondContact OE2-NE2 3.31Å; H11-T22 HydrophobicContact CB-CG2 4.09Å; H11-S50 PolarHBondContact N-O 3.39Å; H11-E51 CarbonylContact O-C 3.55Å; H11-E51 VanDerWaalsContact O-CA 3.31Å; H11-E51 WeakPolarHBondContact O-CA 3.08Å; H11-I52 PolarHBondContact O-N 3.34Å
12F96Very high93Very high0 Ų063.9 Ų63.90%037%0.37CS..EExtended strand (participates in β ladder)trans-102.1128.6176.3-67.4-84.6000111V10 V14 T22 V23 A25 L30 F37 F41 I52 I54 F62V10-F12 HydrophobicContact CG1-CE2 3.84Å; V10-F12 HydrophobicContact CG1-CZ 4.43Å; V10-F12 HydrophobicContact CG2-CE2 4.15Å; V10-F12 HydrophobicContact CG2-CZ 4.28Å; F12-V14 HydrophobicContact CB-CG2 3.71Å; F12-T22 CarbonylContact O-C 3.51Å; F12-T22 WeakPolarHBondContact O-CA 3.04Å; F12-V23 HydrophobicContact CB-CB 4.49Å; F12-V23 PolarHBondContact N-O 3.47Å; F12-V23 PolarHBondContact O-N 3.12Å; F12-A25 HydrophobicContact CD2-CB 4.12Å; F12-A25 HydrophobicContact CE2-CB 3.88Å; F12-L30 HydrophobicContact CE2-CD1 3.47Å; F12-L30 VanDerWaalsContact CE2-CD1 3.47Å; F12-L30 HydrophobicContact CZ-CD1 3.66Å; F12-F37 AromaticContact CE1-CE1 3.77Å; F12-F37 HydrophobicContact CE1-CE1 3.77Å; F12-F37 HydrophobicContact CZ-CD1 4.19Å; F12-F37 AromaticContact CZ-CE1 3.63Å; F12-F37 HydrophobicContact CZ-CE1 3.63Å; F12-F37 HydrophobicContact CZ-CZ 4.28Å; F12-F41 AromaticContact CZ-CZ 3.81Å; F12-F41 HydrophobicContact CZ-CZ 3.81Å; F12-I52 CarbonylContact C-O 3.59Å; F12-I52 VanDerWaalsContact CA-O 3.27Å; F12-I52 WeakPolarHBondContact CA-O 3.41Å; F12-I52 HydrophobicContact CD1-CB 3.69Å; F12-I52 HydrophobicContact CD1-CG2 3.78Å; F12-I52 HydrophobicContact CE1-CB 3.87Å; F12-I52 HydrophobicContact CE1-CD1 4.08Å; F12-I52 HydrophobicContact CE1-CG2 3.79Å; F12-I54 HydrophobicContact CB-CD1 4.31Å; F12-I54 HydrophobicContact CD1-CD1 3.32Å; F12-I54 HydrophobicContact CD1-CG1 4.07Å; F12-I54 HydrophobicContact CE1-CD1 3.85Å; F12-I54 HydrophobicContact CG-CD1 4.09Å; F12-F62 HydrophobicContact CB-CE1 4.02Å; F12-F62 HydrophobicContact CB-CZ 4.09Å; F12-F62 AromaticContact CD1-CZ 3.95Å; F12-F62 HydrophobicContact CD1-CZ 3.95Å; F12-F62 AromaticContact CD2-CE1 3.95Å; F12-F62 HydrophobicContact CD2-CE1 3.95Å; F12-F62 AromaticContact CD2-CZ 3.71Å; F12-F62 HydrophobicContact CD2-CZ 3.71Å; F12-F62 HydrophobicContact CE1-CZ 4.22Å; F12-F62 HydrophobicContact CE2-CZ 4.02Å; F12-F62 AromaticContact CG-CE1 3.98Å; F12-F62 HydrophobicContact CG-CE1 3.98Å; F12-F62 AromaticContact CG-CZ 3.64Å; F12-F62 HydrophobicContact CG-CZ 3.64Å; F12-F62 HydrophobicContact CZ-CZ 4.22Å
13V96.6Very high93.4Very high15 Ų1560.3 Ų60.39%0.09135%0.354CS..EExtended strand (participates in β ladder)trans-97.896.3170.7-178.40000107.5T20 E51 I52 H53 I54V13-T20 HydrophobicContact CG1-CG2 3.81Å; V13-E51 HydrophobicContact CG2-CG 3.69Å; V13-I52 PolarHBondContact N-O 3.08Å; V13-H53 WeakPolarHBondContact O-CA 3.49Å; V13-I54 PolarHBondContact O-N 2.87Å
14V96.6Very high93.7Very high0 Ų058.1 Ų58.10%034%0.343CS..EExtended strand (participates in β ladder)trans-103.2138-169.1-174.50000111F12 T20 R21 V23 I54 V57 P59 F62F12-V14 HydrophobicContact CB-CG2 3.71Å; V14-T20 CarbonylContact O-C 3.52Å; V14-T20 WeakPolarHBondContact O-CA 3.3Å; V14-R21 PolarHBondContact N-O 3.22Å; V14-R21 PolarHBondContact O-N 3.26Å; V14-V23 HydrophobicContact CG2-CG2 4.4Å; V14-I54 WeakPolarHBondContact CA-O 3.49Å; V14-I54 HydrophobicContact CG2-CB 4.42Å; V14-I54 HydrophobicContact CG2-CD1 4.26Å; V14-V57 HydrophobicContact CG1-CB 4.35Å; V14-V57 WeakPolarHBondContact CG1-O 3.45Å; V14-P59 HydrophobicContact CG1-CG 4.44Å; V14-F62 HydrophobicContact CG1-CB 3.76Å; V14-F62 HydrophobicContact CG1-CG 4.14Å; V14-F62 HydrophobicContact CG2-CB 4.34Å; V14-F62 HydrophobicContact CG2-CD1 3.7Å; V14-F62 HydrophobicContact CG2-CD2 4.36Å; V14-F62 HydrophobicContact CG2-CE1 4.04Å; V14-F62 HydrophobicContact CG2-CG 3.87Å; V14-F62 HydrophobicContact CG2-CZ 4.5Å
15G94.4Very high94Very high2 Ų254.8 Ų54.82%0.02133%0.325CS..SBendtrans107166.1175.800000113.8T20 I54 P55 V57G15-T20 WeakPolarHBondContact O-CG2 3.43Å; G15-I54 PolarHBondContact N-O 3.22Å; G15-P55 CarbonylContact C-O 3.45Å; G15-P55 WeakPolarHBondContact O-CA 3.35Å; G15-V57 WeakPolarHBondContact CA-O 3.26Å; G15-V57 PolarHBondContact N-O 2.8Å
16P91.4Very high94.1Very high68 Ų6850 Ų5044%0.44230%0.303SS..SBendtrans-67.7157.3-176.427.7-34000111.8G18 A19 T20P16-G18 PolarHBondContact O-N 2.96Å; P16-A19 HydrophobicContact CG-CB 4.27Å; P16-A19 CarbonylContact O-C 3.45Å; P16-A19 PolarHBondContact O-N 3.1Å; P16-T20 PolarHBondContact O-N 3.47Å
17P88.5Confident94.1Very high123 Ų12346.4 Ų46.480%0.79928%0.282SS*.THydrogen-bonded Turntrans-52.3124.9178.2-25.534.1000111.9
18G86.8Confident94.2Very high86 Ų8647.1 Ų47.189%0.88728%0.278SS*.THydrogen-bonded Turntrans94-11.6-177.700000115.4P16P16-G18 PolarHBondContact O-N 2.96Å
19A90.2Very high94.3Very high64 Ų6448.1 Ų48.153%0.52928%0.282SS..SBendtrans-129.128.1172.900000112.1P16P16-A19 HydrophobicContact CG-CB 4.27Å; P16-A19 CarbonylContact O-C 3.45Å; P16-A19 PolarHBondContact O-N 3.1Å
20T94.3Very high94.3Very high74 Ų7444.7 Ų44.745%0.45426%0.264SS..  trans-74.1144.8-178.251.20000112.3V13 V14 G15 P16V13-T20 HydrophobicContact CG1-CG2 3.81Å; V14-T20 CarbonylContact O-C 3.52Å; V14-T20 WeakPolarHBondContact O-CA 3.3Å; G15-T20 WeakPolarHBondContact O-CG2 3.43Å; P16-T20 PolarHBondContact O-N 3.47Å
21R95.8Very high94.4Very high118 Ų11845.2 Ų45.245%0.44527%0.267SS..EExtended strand (participates in β ladder)trans-124.6132.2170.2-177.4176176.6174-2.6110.2V14 V23 P59 L63V14-R21 PolarHBondContact N-O 3.22Å; V14-R21 PolarHBondContact O-N 3.26Å; R21-V23 HydrophobicContact CG-CG2 4.33Å; R21-P59 HydrophobicContact CB-CB 3.99Å; R21-P59 HydrophobicContact CB-CG 4.02Å; R21-L63 VanDerWaalsContact NH1-CD1 3.29Å
22T95.8Very high94.3Very high76 Ų7648 Ų4847%0.46629%0.287SS..EExtended strand (participates in β ladder)trans-82.4130.6172.3-51.60000110.3H11 F12H11-T22 HydrophobicContact CB-CG2 4.09Å; F12-T22 CarbonylContact O-C 3.51Å; F12-T22 WeakPolarHBondContact O-CA 3.04Å
23V96.6Very high94.2Very high0 Ų049.6 Ų49.60%030%0.304CS..EExtended strand (participates in β ladder)trans-128.2113.7-177.7-177.50000109.5F12 V14 R21 F62 L63 L66F12-V23 HydrophobicContact CB-CB 4.49Å; F12-V23 PolarHBondContact N-O 3.47Å; F12-V23 PolarHBondContact O-N 3.12Å; V14-V23 HydrophobicContact CG2-CG2 4.4Å; R21-V23 HydrophobicContact CG-CG2 4.33Å; V23-F62 HydrophobicContact CB-CE1 4.39Å; V23-F62 HydrophobicContact CG1-CD1 4.41Å; V23-F62 HydrophobicContact CG1-CE1 4.23Å; V23-F62 HydrophobicContact CG2-CD1 4.5Å; V23-L63 HydrophobicContact CG1-CD2 3.86Å; V23-L63 HydrophobicContact CG2-CD2 4.18Å; V23-L66 HydrophobicContact CG1-CD2 3.58Å
24P96.7Very high94.2Very high8 Ų849 Ų495%0.05230%0.301CS..EExtended strand (participates in β ladder)trans-73.3142.7173.930.2-35.5000111.6N3 E5 A8N3-P24 WeakPolarHBondContact OD1-CD 3.39Å; E5-P24 HydrophobicContact CG-CG 4.37Å; A8-P24 HydrophobicContact CB-CB 3.8Å
25A96.3Very high94.2Very high0 Ų052.4 Ų52.40%032%0.324CS..EExtended strand (participates in β ladder)trans-152.5180178.200000112.8A8 D9 V10 F12 L30 L66A8-A25 WeakPolarHBondContact CA-O 3.49Å; D9-A25 PolarHBondContact N-O 3.04Å; D9-A25 VanDerWaalsContact N-O 3.15Å; V10-A25 HydrophobicContact CG1-CB 3.99Å; V10-A25 PolarHBondContact N-O 2.91Å; V10-A25 PolarHBondContact O-N 3.36Å; F12-A25 HydrophobicContact CD2-CB 4.12Å; F12-A25 HydrophobicContact CE2-CB 3.88Å; A25-L30 HydrophobicContact CB-CD1 3.89Å; A25-L66 HydrophobicContact CB-CD1 4.09Å
26H95.6Very high94.2Very high15 Ų1554.2 Ų54.27%0.06934%0.335CS..  trans-123115.4-174.2-52.279.8000109.8M1 L6 M7 D9 Y28 V29 L30 Y70M1-H26 VanDerWaalsContact CE-NE2 3.3Å; M1-H26 WeakPolarHBondContact CE-NE2 3.29Å; M1-H26 PolarHBondContact O-CE1 2.99Å; L6-H26 PolarHBondContact O-NE2 3.29Å; L6-H26 VanDerWaalsContact O-NE2 3.15Å; M7-H26 PolarHBondContact O-CD2 2.98Å; D9-H26 VanDerWaalsContact OD1-CA 3.22Å; D9-H26 WeakPolarHBondContact OD1-CA 3.26Å; H26-Y28 VanDerWaalsContact C-N 3.29Å; H26-Y28 PolarHBondContact O-N 2.87Å; H26-V29 HydrophobicContact CB-CB 4.33Å; H26-V29 HydrophobicContact CB-CG2 3.98Å; H26-V29 PolarHBondContact O-N 3.41Å; H26-L30 WeakPolarHBondContact O-CG 3.42Å; H26-L30 PolarHBondContact O-N 3.41Å; H26-Y70 WeakPolarHBondContact CB-OH 3.22Å; H26-Y70 PolarHBondContact N-OH 3.46Å; H26-Y70 AromaticContact ND1-CE1 3.47Å; H26-Y70 WeakPolarHBondContact ND1-CE1 3.26Å; H26-Y70 AromaticContact ND1-CZ 3.54Å; H26-Y70 PolarHBondContact ND1-OH 3.49Å
27K94.7Very high94.4Very high35 Ų3551 Ų5115%0.15231%0.314CS..Hα-helixtrans-54.1-43.5-175.1-70.8178.5175.8176.70112.5D9 V10 L30 A31 F41 Y42 K49D9-K27 WeakPolarHBondContact O-CE 3.19Å; D9-K27 WeakPolarHBondContact OD1-CG 3.45Å; D9-K27 PolarHBondContact OD1-N 2.89Å; V10-K27 HydrophobicContact CB-CG 3.96Å; V10-K27 HydrophobicContact CG1-CG 3.9Å; K27-L30 PolarHBondContact O-N 3.19Å; K27-A31 VanDerWaalsContact O-CB 3.26Å; K27-A31 WeakPolarHBondContact O-CB 3.48Å; K27-A31 PolarHBondContact O-N 3.26Å; K27-F41 HydrophobicContact CB-CB 4.38Å; K27-F41 HydrophobicContact CB-CD1 4.47Å; K27-F41 HydrophobicContact CB-CD2 3.9Å; K27-F41 HydrophobicContact CB-CE2 4.27Å; K27-F41 HydrophobicContact CB-CG 4.02Å; K27-F41 HydrophobicContact CD-CB 4.42Å; K27-F41 HydrophobicContact CD-CD1 3.89Å; K27-F41 HydrophobicContact CD-CE1 4.28Å; K27-F41 HydrophobicContact CD-CG 4.14Å; K27-F41 HydrophobicContact CG-CB 4.47Å; K27-F41 HydrophobicContact CG-CD1 3.78Å; K27-F41 HydrophobicContact CG-CD2 3.99Å; K27-F41 HydrophobicContact CG-CE1 3.87Å; K27-F41 HydrophobicContact CG-CE2 4.11Å; K27-F41 HydrophobicContact CG-CG 3.83Å; K27-F41 HydrophobicContact CG-CZ 4.04Å; K27-Y42 HydrophobicContact CB-CE2 4.44Å; K27-K49 PolarHBondContact NZ-O 3.28Å
28Y94.1Very high94.7Very high164 Ų16451.5 Ų51.564%0.64330%0.301SS*.Hα-helixtrans-60.8-49.1-179.6179.3-100.7000112.3H26 L30 A31 V32 Y42H26-Y28 VanDerWaalsContact C-N 3.29Å; H26-Y28 PolarHBondContact O-N 2.87Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 3.21Å; Y28-A31 PolarHBondContact O-N 2.75Å; Y28-V32 HydrophobicContact CD1-CG2 4.43Å; Y28-V32 HydrophobicContact CE1-CG2 4.04Å; Y28-V32 HydrophobicContact CE2-CG2 4.18Å; Y28-V32 VanDerWaalsContact O-CG2 3.29Å; Y28-V32 WeakPolarHBondContact O-CG2 3.39Å; Y28-V32 PolarHBondContact O-N 3.43Å; Y28-Y42 PolarHBondContact N-OH 2.81Å
29V95.1Very high95.1Very high44 Ų4450 Ų5027%0.26728%0.28SS..Hα-helixtrans-60.1-45.7-179.5179.60000110.3H26 V32 G33 Y70H26-V29 HydrophobicContact CB-CB 4.33Å; H26-V29 HydrophobicContact CB-CG2 3.98Å; H26-V29 PolarHBondContact O-N 3.41Å; V29-V32 PolarHBondContact O-N 2.81Å; V29-G33 PolarHBondContact O-N 3.15Å; V29-G33 VanDerWaalsContact O-N 3.12Å; V29-Y70 HydrophobicContact CB-CE1 4.43Å; V29-Y70 HydrophobicContact CB-CE2 4.13Å; V29-Y70 HydrophobicContact CG1-CD1 4.22Å; V29-Y70 HydrophobicContact CG1-CD2 3.69Å; V29-Y70 HydrophobicContact CG1-CE1 4.13Å; V29-Y70 HydrophobicContact CG1-CE2 3.58Å; V29-Y70 HydrophobicContact CG1-CG 4.04Å; V29-Y70 HydrophobicContact CG2-CE1 4.32Å
30L95.3Very high95.2Very high0 Ų049.8 Ų49.80%027%0.269CS..Hα-helixtrans-64.1-42.4179-66.4-176.6000112.9V10 F12 A25 H26 K27 Y28 V32 G33 S34 F37 F41 L66 M69 Y70V10-L30 HydrophobicContact CG1-CD1 4.43Å; F12-L30 HydrophobicContact CE2-CD1 3.47Å; F12-L30 VanDerWaalsContact CE2-CD1 3.47Å; F12-L30 HydrophobicContact CZ-CD1 3.66Å; A25-L30 HydrophobicContact CB-CD1 3.89Å; H26-L30 WeakPolarHBondContact O-CG 3.42Å; H26-L30 PolarHBondContact O-N 3.41Å; K27-L30 PolarHBondContact O-N 3.19Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 3.21Å; L30-V32 VanDerWaalsContact C-N 3.31Å; L30-V32 PolarHBondContact O-N 2.93Å; L30-G33 PolarHBondContact O-N 3.38Å; L30-S34 PolarHBondContact O-N 3.15Å; L30-F37 HydrophobicContact CB-CB 3.83Å; L30-F37 HydrophobicContact CB-CD2 3.88Å; L30-F37 HydrophobicContact CB-CG 3.87Å; L30-F37 HydrophobicContact CD1-CD1 4.49Å; L30-F37 HydrophobicContact CD1-CG 4.49Å; L30-F37 HydrophobicContact CD2-CD2 4.17Å; L30-F37 HydrophobicContact CD2-CE2 4.22Å; L30-F37 HydrophobicContact CG-CD2 4.45Å; L30-F41 HydrophobicContact CB-CE2 3.97Å; L30-F41 HydrophobicContact CD1-CE2 3.94Å; L30-F41 HydrophobicContact CD1-CZ 4.24Å; L30-L66 HydrophobicContact CD2-CD1 3.5Å; L30-L66 HydrophobicContact CG-CD1 4.48Å; L30-M69 HydrophobicContact CD2-CE 3.16Å; L30-M69 HydrophobicContact CD2-SD 3.7Å; L30-Y70 HydrophobicContact CD2-CE2 4.29Å
31A95.2Very high95.2Very high10 Ų1047.4 Ų47.48%0.08325%0.253CS..Hα-helixtrans-67.6-30.9179.100000112.9K27 Y28 Y38 Y42K27-A31 VanDerWaalsContact O-CB 3.26Å; K27-A31 WeakPolarHBondContact O-CB 3.48Å; K27-A31 PolarHBondContact O-N 3.26Å; Y28-A31 PolarHBondContact O-N 2.75Å; A31-Y38 HydrophobicContact CB-CD2 4.17Å; A31-Y42 HydrophobicContact CB-CD2 3.6Å; A31-Y42 HydrophobicContact CB-CE2 3.43Å; A31-Y42 VanDerWaalsContact CB-CE2 3.43Å
32V94.8Very high95Very high105 Ų10547 Ų4764%0.63625%0.252SS*.Hα-helixtrans-69.2-40.9171.4175.70000111Y28 V29 L30Y28-V32 HydrophobicContact CD1-CG2 4.43Å; Y28-V32 HydrophobicContact CE1-CG2 4.04Å; Y28-V32 HydrophobicContact CE2-CG2 4.18Å; Y28-V32 VanDerWaalsContact O-CG2 3.29Å; Y28-V32 WeakPolarHBondContact O-CG2 3.39Å; Y28-V32 PolarHBondContact O-N 3.43Å; V29-V32 PolarHBondContact O-N 2.81Å; L30-V32 VanDerWaalsContact C-N 3.31Å; L30-V32 PolarHBondContact O-N 2.93Å
33G93.4Very high94.7Very high34 Ų3444.3 Ų44.335%0.35124%0.239SC..Hα-helixtrans-80.6-16-176.800000115.7V29 L30V29-G33 PolarHBondContact O-N 3.15Å; V29-G33 VanDerWaalsContact O-N 3.12Å; L30-G33 PolarHBondContact O-N 3.38Å
34S97.3Very high94.1Very high3 Ų352.7 Ų52.72%0.02128%0.284CS..  trans-150.7126.1-173.7167.70000111.9L30 V36 F37 Y38 Y91L30-S34 PolarHBondContact O-N 3.15Å; S34-V36 PolarHBondContact O-N 3.15Å; S34-V36 PolarHBondContact OG-N 3.45Å; S34-V36 VanDerWaalsContact OG-N 3.17Å; S34-F37 PolarHBondContact O-N 3.4Å; S34-F37 PolarHBondContact OG-N 3.46Å; S34-Y38 PolarHBondContact O-N 3.17Å; S34-Y91 WeakPolarHBondContact CB-O 3.47Å; S34-Y91 PolarHBondContact OG-O 3.39Å
35S95.9Very high93.4Very high71 Ų7160.3 Ų60.350%0.49732%0.323SS..Hα-helixtrans-63.6-27.2173.158.20000112.8A39S35-A39 WeakPolarHBondContact O-CB 3.46Å; S35-A39 PolarHBondContact O-N 3.18Å
36V95.6Very high92.7Very high41 Ų4162.1 Ų62.125%0.24834%0.338CS..Hα-helixtrans-70.5-46.2177179.90000110.2S34 Y38 A39 M40 Y91 I92S34-V36 PolarHBondContact O-N 3.15Å; S34-V36 PolarHBondContact OG-N 3.45Å; S34-V36 VanDerWaalsContact OG-N 3.17Å; V36-Y38 VanDerWaalsContact C-N 3.33Å; V36-A39 PolarHBondContact O-N 3.28Å; V36-M40 VanDerWaalsContact O-CB 3.28Å; V36-M40 WeakPolarHBondContact O-CB 3.22Å; V36-M40 PolarHBondContact O-N 2.89Å; V36-Y91 HydrophobicContact CB-CD1 4.21Å; V36-Y91 HydrophobicContact CG1-CD1 3.89Å; V36-Y91 HydrophobicContact CG1-CE1 4.33Å; V36-I92 HydrophobicContact CG2-CB 4.2Å; V36-I92 HydrophobicContact CG2-CD1 3.62Å; V36-I92 HydrophobicContact CG2-CG1 3.65Å
37F95.3Very high91.7Very high0 Ų067.4 Ų67.40%036%0.363CS..Hα-helixtrans-66.6-36174-72.3-52000112F12 L30 S34 M40 F41 F62 M69 Y91F12-F37 AromaticContact CE1-CE1 3.77Å; F12-F37 HydrophobicContact CE1-CE1 3.77Å; F12-F37 HydrophobicContact CZ-CD1 4.19Å; F12-F37 AromaticContact CZ-CE1 3.63Å; F12-F37 HydrophobicContact CZ-CE1 3.63Å; F12-F37 HydrophobicContact CZ-CZ 4.28Å; L30-F37 HydrophobicContact CB-CB 3.83Å; L30-F37 HydrophobicContact CB-CD2 3.88Å; L30-F37 HydrophobicContact CB-CG 3.87Å; L30-F37 HydrophobicContact CD1-CD1 4.49Å; L30-F37 HydrophobicContact CD1-CG 4.49Å; L30-F37 HydrophobicContact CD2-CD2 4.17Å; L30-F37 HydrophobicContact CD2-CE2 4.22Å; L30-F37 HydrophobicContact CG-CD2 4.45Å; S34-F37 PolarHBondContact O-N 3.4Å; S34-F37 PolarHBondContact OG-N 3.46Å; F37-M40 HydrophobicContact CD1-CE 4.36Å; F37-M40 HydrophobicContact CD1-SD 3.98Å; F37-M40 HydrophobicContact CE1-CE 4.45Å; F37-M40 HydrophobicContact CE1-SD 4.28Å; F37-M40 PolarHBondContact O-N 2.89Å; F37-F41 HydrophobicContact CB-CD2 4.1Å; F37-F41 HydrophobicContact CB-CE2 3.85Å; F37-F41 AromaticContact CD1-CE2 3.88Å; F37-F41 HydrophobicContact CD1-CE2 3.88Å; F37-F41 HydrophobicContact CD1-CZ 4.18Å; F37-F41 HydrophobicContact CG-CE2 4.16Å; F37-F41 WeakPolarHBondContact O-CB 3.35Å; F37-F41 WeakPolarHBondContact O-CD2 3.32Å; F37-F41 WeakPolarHBondContact O-CG 3.48Å; F37-F41 PolarHBondContact O-N 2.92Å; F37-F62 HydrophobicContact CZ-CE2 4.03Å; F37-F62 HydrophobicContact CZ-CZ 4.35Å; F37-M69 HydrophobicContact CD2-CE 4.38Å; F37-M69 HydrophobicContact CD2-SD 4.09Å; F37-M69 HydrophobicContact CE2-CE 3.89Å; F37-M69 HydrophobicContact CE2-SD 4.11Å; F37-Y91 HydrophobicContact CD1-CD1 4.19Å; F37-Y91 HydrophobicContact CD1-CE1 4.19Å; F37-Y91 HydrophobicContact CD2-CD1 4.16Å; F37-Y91 AromaticContact CE1-CD1 3.63Å; F37-Y91 HydrophobicContact CE1-CD1 3.63Å; F37-Y91 AromaticContact CE1-CE1 3.37Å; F37-Y91 HydrophobicContact CE1-CE1 3.37Å; F37-Y91 AromaticContact CE2-CD1 3.57Å; F37-Y91 HydrophobicContact CE2-CD1 3.57Å; F37-Y91 HydrophobicContact CE2-CD2 4.5Å; F37-Y91 HydrophobicContact CE2-CE1 4.11Å; F37-Y91 AromaticContact CE2-CG 3.81Å; F37-Y91 HydrophobicContact CE2-CG 3.81Å; F37-Y91 HydrophobicContact CG-CD1 4.41Å; F37-Y91 AromaticContact CZ-CD1 3.28Å; F37-Y91 HydrophobicContact CZ-CD1 3.28Å; F37-Y91 HydrophobicContact CZ-CD2 4.24Å; F37-Y91 AromaticContact CZ-CE1 3.31Å; F37-Y91 HydrophobicContact CZ-CE1 3.31Å; F37-Y91 HydrophobicContact CZ-CE2 4.27Å; F37-Y91 AromaticContact CZ-CG 3.78Å; F37-Y91 HydrophobicContact CZ-CG 3.78Å; F37-Y91 AromaticContact CZ-CZ 3.85Å
38Y95.1Very high90.6Very high133 Ų13372.8 Ų72.852%0.52240%0.398SS..Hα-helixtrans-56.7-52.2172179-87.7000111.4A31 S34 V36 M40 F41 Y42 G43A31-Y38 HydrophobicContact CB-CD2 4.17Å; S34-Y38 PolarHBondContact O-N 3.17Å; V36-Y38 VanDerWaalsContact C-N 3.33Å; Y38-M40 VanDerWaalsContact C-N 3.3Å; Y38-M40 PolarHBondContact O-N 3.28Å; Y38-F41 PolarHBondContact O-N 3.29Å; Y38-Y42 HydrophobicContact CD2-CD2 4.3Å; Y38-Y42 WeakPolarHBondContact O-CA 3.28Å; Y38-Y42 PolarHBondContact O-N 2.64Å; Y38-G43 PolarHBondContact O-N 2.56Å
39A94.2Very high89.8Confident54 Ų5470.4 Ų70.445%0.44639%0.391SS..Hα-helixtrans-62.9-38178.800000112.2S35 V36 F41 G43S35-A39 WeakPolarHBondContact O-CB 3.46Å; S35-A39 PolarHBondContact O-N 3.18Å; V36-A39 PolarHBondContact O-N 3.28Å; A39-F41 PolarHBondContact O-N 2.94Å; A39-G43 VanDerWaalsContact O-CA 3.3Å; A39-G43 WeakPolarHBondContact O-CA 3.06Å; A39-G43 PolarHBondContact O-N 2.84Å; A39-G43 VanDerWaalsContact O-N 3.1Å
40M92.8Very high89.1Confident61 Ų6172.3 Ų72.330%0.341%0.407SS..Hα-helixtrans-63.8-36.6178.5-175.1-179-67.600112.9V36 F37 Y38 A46 I52 Y91V36-M40 VanDerWaalsContact O-CB 3.28Å; V36-M40 WeakPolarHBondContact O-CB 3.22Å; V36-M40 PolarHBondContact O-N 2.89Å; F37-M40 HydrophobicContact CD1-CE 4.36Å; F37-M40 HydrophobicContact CD1-SD 3.98Å; F37-M40 HydrophobicContact CE1-CE 4.45Å; F37-M40 HydrophobicContact CE1-SD 4.28Å; F37-M40 PolarHBondContact O-N 2.89Å; Y38-M40 VanDerWaalsContact C-N 3.3Å; Y38-M40 PolarHBondContact O-N 3.28Å; M40-A46 WeakPolarHBondContact O-CB 3.45Å; M40-I52 HydrophobicContact CG-CD1 4.23Å; M40-I52 HydrophobicContact SD-CD1 3.6Å; M40-I52 HydrophobicContact SD-CG2 4.25Å; M40-Y91 HydrophobicContact CE-CE1 4.39Å
41F93.4Very high89Confident24 Ų2476.9 Ų76.911%0.10543%0.428CS..Hα-helixtrans-103.3-31.7-173.5-61.1-46000115V10 F12 K27 L30 F37 Y38 A39 A46 I52V10-F41 HydrophobicContact CB-CE1 4.48Å; V10-F41 HydrophobicContact CG1-CZ 4.18Å; V10-F41 HydrophobicContact CG2-CE1 3.98Å; V10-F41 HydrophobicContact CG2-CZ 4.14Å; F12-F41 AromaticContact CZ-CZ 3.81Å; F12-F41 HydrophobicContact CZ-CZ 3.81Å; K27-F41 HydrophobicContact CB-CB 4.38Å; K27-F41 HydrophobicContact CB-CD1 4.47Å; K27-F41 HydrophobicContact CB-CD2 3.9Å; K27-F41 HydrophobicContact CB-CE2 4.27Å; K27-F41 HydrophobicContact CB-CG 4.02Å; K27-F41 HydrophobicContact CD-CB 4.42Å; K27-F41 HydrophobicContact CD-CD1 3.89Å; K27-F41 HydrophobicContact CD-CE1 4.28Å; K27-F41 HydrophobicContact CD-CG 4.14Å; K27-F41 HydrophobicContact CG-CB 4.47Å; K27-F41 HydrophobicContact CG-CD1 3.78Å; K27-F41 HydrophobicContact CG-CD2 3.99Å; K27-F41 HydrophobicContact CG-CE1 3.87Å; K27-F41 HydrophobicContact CG-CE2 4.11Å; K27-F41 HydrophobicContact CG-CG 3.83Å; K27-F41 HydrophobicContact CG-CZ 4.04Å; L30-F41 HydrophobicContact CB-CE2 3.97Å; L30-F41 HydrophobicContact CD1-CE2 3.94Å; L30-F41 HydrophobicContact CD1-CZ 4.24Å; F37-F41 HydrophobicContact CB-CD2 4.1Å; F37-F41 HydrophobicContact CB-CE2 3.85Å; F37-F41 AromaticContact CD1-CE2 3.88Å; F37-F41 HydrophobicContact CD1-CE2 3.88Å; F37-F41 HydrophobicContact CD1-CZ 4.18Å; F37-F41 HydrophobicContact CG-CE2 4.16Å; F37-F41 WeakPolarHBondContact O-CB 3.35Å; F37-F41 WeakPolarHBondContact O-CD2 3.32Å; F37-F41 WeakPolarHBondContact O-CG 3.48Å; F37-F41 PolarHBondContact O-N 2.92Å; Y38-F41 PolarHBondContact O-N 3.29Å; A39-F41 PolarHBondContact O-N 2.94Å; F41-A46 WeakPolarHBondContact O-CB 3.35Å; F41-I52 HydrophobicContact CD1-CD1 4.43Å; F41-I52 HydrophobicContact CE1-CD1 3.45Å; F41-I52 VanDerWaalsContact CE1-CD1 3.45Å; F41-I52 HydrophobicContact CZ-CD1 4.06Å
42Y92.3Very high88.9Confident109 Ų10977.7 Ų77.743%0.42743%0.431SS..Hα-helixtrans-129.31.1-171.2-55.8-72.9000113K27 Y28 A31 Y38K27-Y42 HydrophobicContact CB-CE2 4.44Å; Y28-Y42 PolarHBondContact N-OH 2.81Å; A31-Y42 HydrophobicContact CB-CD2 3.6Å; A31-Y42 HydrophobicContact CB-CE2 3.43Å; A31-Y42 VanDerWaalsContact CB-CE2 3.43Å; Y38-Y42 HydrophobicContact CD2-CD2 4.3Å; Y38-Y42 WeakPolarHBondContact O-CA 3.28Å; Y38-Y42 PolarHBondContact O-N 2.64Å
43G89.6Confident88.9Confident20 Ų2078.5 Ų78.521%0.20643%0.427CS..SBendtrans-75.9168.7175.200000113.2Y38 A39 L45 A46Y38-G43 PolarHBondContact O-N 2.56Å; A39-G43 VanDerWaalsContact O-CA 3.3Å; A39-G43 WeakPolarHBondContact O-CA 3.06Å; A39-G43 PolarHBondContact O-N 2.84Å; A39-G43 VanDerWaalsContact O-N 3.1Å; G43-L45 PolarHBondContact O-N 3.38Å; G43-A46 WeakPolarHBondContact O-CB 3.5Å; G43-A46 PolarHBondContact O-N 3.07Å
44D84.6Confident88.9Confident176 Ų17677 Ų7794%0.94141%0.411SS*.THydrogen-bonded Turntrans-61.9-19.9-175.2-59.8-36.7000114.2
45L81.2Confident88.8Confident167 Ų16780.3 Ų80.387%0.87443%0.433SS*.THydrogen-bonded Turntrans-108.915177.9-64173.2000112.8G43 E47G43-L45 PolarHBondContact O-N 3.38Å; L45-E47 PolarHBondContact O-N 3Å
46A80.7Confident88.7Confident38 Ų3880.6 Ų80.631%0.31443%0.429SS..  trans-64.3122.5-177.700000111.1M40 F41 G43M40-A46 WeakPolarHBondContact O-CB 3.45Å; F41-A46 WeakPolarHBondContact O-CB 3.35Å; G43-A46 WeakPolarHBondContact O-CB 3.5Å; G43-A46 PolarHBondContact O-N 3.07Å
47E74.7Confident88.6Confident127 Ų12778.9 Ų78.959%0.59342%0.418SS*.  trans-87.5140.7173.2-65.5-175.1158.500110.2L45 K49L45-E47 PolarHBondContact O-N 3Å; E47-K49 HydrophobicContact CB-CD 4.48Å; E47-K49 HydrophobicContact CB-CG 4.37Å; E47-K49 PolarHBondContact O-N 3.1Å; E47-K49 WeakPolarHBondContact OE2-CD 3.31Å; E47-K49 WeakPolarHBondContact OE2-CE 3.32Å; E47-K49 IonicContact OE2-NZ 3.94Å; E47-K49 PolarHBondContact OE2-NZ 3.02Å
48V71.9Confident88.6Confident147 Ų14783.9 Ų83.989%0.89144%0.442SS*.  trans-79.968.2174.6-168.60000109.5
49K77.2Confident88.6Confident114 Ų11478.8 Ų78.850%0.49643%0.425SS..  trans-100.2135.2169.8-72.7175.9174.9160.80109.5K27 E47K27-K49 PolarHBondContact NZ-O 3.28Å; E47-K49 HydrophobicContact CB-CD 4.48Å; E47-K49 HydrophobicContact CB-CG 4.37Å; E47-K49 PolarHBondContact O-N 3.1Å; E47-K49 WeakPolarHBondContact OE2-CD 3.31Å; E47-K49 WeakPolarHBondContact OE2-CE 3.32Å; E47-K49 IonicContact OE2-NZ 3.94Å; E47-K49 PolarHBondContact OE2-NZ 3.02Å
50S80.4Confident88.7Confident84 Ų8478.3 Ų78.359%0.58742%0.421SS*.SBendtrans-84.7-23.1169.253.70000111.5V10 H11V10-S50 CarbonylContact C-O 3.56Å; V10-S50 WeakPolarHBondContact CA-O 3.18Å; H11-S50 PolarHBondContact N-O 3.39Å
51E92.8Very high88.8Confident96 Ų9675.4 Ų75.445%0.44941%0.406SS..EExtended strand (participates in β ladder)trans-116.9131.1-179-169.5171.9102.600111.3H11 V13 H53H11-E51 CarbonylContact O-C 3.55Å; H11-E51 VanDerWaalsContact O-CA 3.31Å; H11-E51 WeakPolarHBondContact O-CA 3.08Å; V13-E51 HydrophobicContact CG2-CG 3.69Å; E51-H53 IonicContact OE1-CE1 3.34Å; E51-H53 PolarHBondContact OE1-CE1 3.48Å; E51-H53 IonicContact OE1-NE2 3.63Å; E51-H53 PolarHBondContact OE1-NE2 2.91Å
52I93.8Very high89Confident28 Ų2874.2 Ų74.214%0.14440%0.401CS..EExtended strand (participates in β ladder)trans-128.2122.7-177.7-61.4-175.2000110.1V10 H11 F12 V13 M40 F41 I54V10-I52 HydrophobicContact CG2-CD1 3.87Å; V10-I52 HydrophobicContact CG2-CG1 4.12Å; H11-I52 PolarHBondContact O-N 3.34Å; F12-I52 CarbonylContact C-O 3.59Å; F12-I52 VanDerWaalsContact CA-O 3.27Å; F12-I52 WeakPolarHBondContact CA-O 3.41Å; F12-I52 HydrophobicContact CD1-CB 3.69Å; F12-I52 HydrophobicContact CD1-CG2 3.78Å; F12-I52 HydrophobicContact CE1-CB 3.87Å; F12-I52 HydrophobicContact CE1-CD1 4.08Å; F12-I52 HydrophobicContact CE1-CG2 3.79Å; V13-I52 PolarHBondContact N-O 3.08Å; M40-I52 HydrophobicContact CG-CD1 4.23Å; M40-I52 HydrophobicContact SD-CD1 3.6Å; M40-I52 HydrophobicContact SD-CG2 4.25Å; F41-I52 HydrophobicContact CD1-CD1 4.43Å; F41-I52 HydrophobicContact CE1-CD1 3.45Å; F41-I52 VanDerWaalsContact CE1-CD1 3.45Å; F41-I52 HydrophobicContact CZ-CD1 4.06Å; I52-I54 HydrophobicContact CG2-CG1 4.37Å
53H94.1Very high89.2Confident121 Ų12170.2 Ų70.256%0.5639%0.387SS*.EExtended strand (participates in β ladder)trans-89.3132.6178.6-64.1-87.5000111.7V13 E51V13-H53 WeakPolarHBondContact O-CA 3.49Å; E51-H53 IonicContact OE1-CE1 3.34Å; E51-H53 PolarHBondContact OE1-CE1 3.48Å; E51-H53 IonicContact OE1-NE2 3.63Å; E51-H53 PolarHBondContact OE1-NE2 2.91Å
54I94.8Very high89.5Confident2 Ų270.5 Ų70.51%0.0138%0.384CS..EExtended strand (participates in β ladder)trans-129.479.3176.1-52.4171.1000108.1F12 V13 V14 G15 I52 D56 V57 F62 Y91F12-I54 HydrophobicContact CB-CD1 4.31Å; F12-I54 HydrophobicContact CD1-CD1 3.32Å; F12-I54 HydrophobicContact CD1-CG1 4.07Å; F12-I54 HydrophobicContact CE1-CD1 3.85Å; F12-I54 HydrophobicContact CG-CD1 4.09Å; V13-I54 PolarHBondContact O-N 2.87Å; V14-I54 WeakPolarHBondContact CA-O 3.49Å; V14-I54 HydrophobicContact CG2-CB 4.42Å; V14-I54 HydrophobicContact CG2-CD1 4.26Å; G15-I54 PolarHBondContact N-O 3.22Å; I52-I54 HydrophobicContact CG2-CG1 4.37Å; I54-D56 VanDerWaalsContact C-N 3.27Å; I54-D56 WeakPolarHBondContact CG2-OD1 3.39Å; I54-D56 PolarHBondContact O-N 2.89Å; I54-V57 HydrophobicContact CG2-CB 3.62Å; I54-V57 HydrophobicContact CG2-CG2 3.49Å; I54-V57 VanDerWaalsContact CG2-CG2 3.49Å; I54-F62 HydrophobicContact CD1-CD2 3.93Å; I54-F62 HydrophobicContact CD1-CE2 3.35Å; I54-F62 HydrophobicContact CD1-CZ 3.84Å; I54-Y91 WeakPolarHBondContact CD1-OH 3.1Å; I54-Y91 WeakPolarHBondContact CG1-OH 3.48Å; I54-Y91 WeakPolarHBondContact CG2-OH 3.21Å
55P94.4Very high90.1Very high74 Ų7462.1 Ų62.148%0.48134%0.339SS..THydrogen-bonded Turntrans-74.8-17.3-172.530.4-35.8000114.2G15G15-P55 CarbonylContact C-O 3.45Å; G15-P55 WeakPolarHBondContact O-CA 3.35Å
56D93.3Very high90.8Very high77 Ų7754.2 Ų54.241%0.41230%0.297SS..THydrogen-bonded Turntrans-103.75-170.161.1-31.9000113.7I54 Y86 K90I54-D56 VanDerWaalsContact C-N 3.27Å; I54-D56 WeakPolarHBondContact CG2-OD1 3.39Å; I54-D56 PolarHBondContact O-N 2.89Å; D56-Y86 WeakPolarHBondContact O-CE1 3.18Å; D56-Y86 PolarHBondContact OD2-OH 3.33Å; D56-K90 IonicContact OD1-NZ 2.63Å; D56-K90 PolarHBondContact OD1-NZ 3.17Å; D56-K90 IonicContact OD2-NZ 2.96Å; D56-K90 PolarHBondContact OD2-NZ 2.91Å
57V94.8Very high91.6Very high4 Ų455 Ų552%0.02429%0.294CS..SBendtrans-120.8135.9174.6-179.10000109V14 G15 I54 A61 F62 Y86 A87 K90 Y91V14-V57 HydrophobicContact CG1-CB 4.35Å; V14-V57 WeakPolarHBondContact CG1-O 3.45Å; G15-V57 WeakPolarHBondContact CA-O 3.26Å; G15-V57 PolarHBondContact N-O 2.8Å; I54-V57 HydrophobicContact CG2-CB 3.62Å; I54-V57 HydrophobicContact CG2-CG2 3.49Å; I54-V57 VanDerWaalsContact CG2-CG2 3.49Å; V57-A61 HydrophobicContact CG1-CB 4.32Å; V57-F62 HydrophobicContact CG1-CB 3.98Å; V57-Y86 HydrophobicContact CG2-CD1 4.1Å; V57-Y86 HydrophobicContact CG2-CE1 3.79Å; V57-A87 HydrophobicContact CG1-CB 3.91Å; V57-K90 HydrophobicContact CG2-CD 4.1Å; V57-Y91 HydrophobicContact CG2-CE2 4.46Å
58E94.8Very high92.6Very high105 Ų10550.5 Ų50.549%0.49127%0.272SS..  trans-71141174.9-67.2-178.4-167.600111.6A60 A61 F62 A83E58-A60 VanDerWaalsContact C-N 3.25Å; E58-A60 PolarHBondContact O-N 2.88Å; E58-A61 HydrophobicContact CB-CB 4.44Å; E58-A61 PolarHBondContact O-N 3.39Å; E58-F62 PolarHBondContact O-N 3.32Å; E58-A83 HydrophobicContact CB-CB 4.44Å; E58-A83 HydrophobicContact CG-CB 4.44Å
59P95.5Very high93.8Very high27 Ų2744.6 Ų44.618%0.17524%0.235CC..Hα-helixtrans-54.3-38179.9-29.235.6000114.4V14 R21 F62 L63V14-P59 HydrophobicContact CG1-CG 4.44Å; R21-P59 HydrophobicContact CB-CB 3.99Å; R21-P59 HydrophobicContact CB-CG 4.02Å; P59-F62 PolarHBondContact O-N 2.82Å; P59-L63 WeakPolarHBondContact O-CB 3.49Å; P59-L63 VanDerWaalsContact O-CG 3.25Å; P59-L63 WeakPolarHBondContact O-CG 3.12Å; P59-L63 PolarHBondContact O-N 2.94Å
60A95.4Very high94.6Very high43 Ų4341.3 Ų41.336%0.35522%0.22SC..Hα-helixtrans-64.6-48.7179.500000111.7E58 F62 L63 I64 T80E58-A60 VanDerWaalsContact C-N 3.25Å; E58-A60 PolarHBondContact O-N 2.88Å; A60-F62 VanDerWaalsContact C-N 3.34Å; A60-F62 PolarHBondContact O-N 3.04Å; A60-L63 PolarHBondContact O-N 3.43Å; A60-I64 WeakPolarHBondContact O-CG1 3.2Å; A60-I64 PolarHBondContact O-N 3.1Å; A60-T80 HydrophobicContact CB-CG2 4Å
61A96.3Very high95.3Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-60.5-42176.700000112.6V57 E58 L63 I64 L65 A83V57-A61 HydrophobicContact CG1-CB 4.32Å; E58-A61 HydrophobicContact CB-CB 4.44Å; E58-A61 PolarHBondContact O-N 3.39Å; A61-L63 VanDerWaalsContact C-N 3.33Å; A61-L63 PolarHBondContact O-N 3.06Å; A61-I64 PolarHBondContact O-N 2.82Å; A61-L65 PolarHBondContact O-N 3.34Å; A61-A83 VanDerWaalsContact CB-C 3.42Å; A61-A83 HydrophobicContact CB-CB 3.66Å; A61-A83 WeakPolarHBondContact CB-O 3.31Å
62F96.7Very high95.3Very high0 Ų041.2 Ų41.20%022%0.22CC..Hα-helixtrans-64.8-37.4176.6-170.9-97.7000112.3F12 V14 V23 F37 I54 V57 E58 P59 A60 L65 L66 Y91F12-F62 HydrophobicContact CB-CE1 4.02Å; F12-F62 HydrophobicContact CB-CZ 4.09Å; F12-F62 AromaticContact CD1-CZ 3.95Å; F12-F62 HydrophobicContact CD1-CZ 3.95Å; F12-F62 AromaticContact CD2-CE1 3.95Å; F12-F62 HydrophobicContact CD2-CE1 3.95Å; F12-F62 AromaticContact CD2-CZ 3.71Å; F12-F62 HydrophobicContact CD2-CZ 3.71Å; F12-F62 HydrophobicContact CE1-CZ 4.22Å; F12-F62 HydrophobicContact CE2-CZ 4.02Å; F12-F62 AromaticContact CG-CE1 3.98Å; F12-F62 HydrophobicContact CG-CE1 3.98Å; F12-F62 AromaticContact CG-CZ 3.64Å; F12-F62 HydrophobicContact CG-CZ 3.64Å; F12-F62 HydrophobicContact CZ-CZ 4.22Å; V14-F62 HydrophobicContact CG1-CB 3.76Å; V14-F62 HydrophobicContact CG1-CG 4.14Å; V14-F62 HydrophobicContact CG2-CB 4.34Å; V14-F62 HydrophobicContact CG2-CD1 3.7Å; V14-F62 HydrophobicContact CG2-CD2 4.36Å; V14-F62 HydrophobicContact CG2-CE1 4.04Å; V14-F62 HydrophobicContact CG2-CG 3.87Å; V14-F62 HydrophobicContact CG2-CZ 4.5Å; V23-F62 HydrophobicContact CB-CE1 4.39Å; V23-F62 HydrophobicContact CG1-CD1 4.41Å; V23-F62 HydrophobicContact CG1-CE1 4.23Å; V23-F62 HydrophobicContact CG2-CD1 4.5Å; F37-F62 HydrophobicContact CZ-CE2 4.03Å; F37-F62 HydrophobicContact CZ-CZ 4.35Å; I54-F62 HydrophobicContact CD1-CD2 3.93Å; I54-F62 HydrophobicContact CD1-CE2 3.35Å; I54-F62 HydrophobicContact CD1-CZ 3.84Å; V57-F62 HydrophobicContact CG1-CB 3.98Å; E58-F62 PolarHBondContact O-N 3.32Å; P59-F62 PolarHBondContact O-N 2.82Å; A60-F62 VanDerWaalsContact C-N 3.34Å; A60-F62 PolarHBondContact O-N 3.04Å; F62-L65 HydrophobicContact CD2-CD2 4.37Å; F62-L65 WeakPolarHBondContact O-CB 3.47Å; F62-L65 PolarHBondContact O-N 3.47Å; F62-L66 VanDerWaalsContact O-CB 3.26Å; F62-L66 WeakPolarHBondContact O-CB 3.27Å; F62-L66 PolarHBondContact O-N 3.26Å; F62-Y91 HydrophobicContact CD2-CE2 4.46Å; F62-Y91 HydrophobicContact CE2-CE2 4.33Å
63L96.3Very high95.4Very high24 Ų2444.9 Ų44.913%0.12624%0.236CC..Hα-helixtrans-67.9-36.3176.2-73.7168.5000112.3F2 R21 V23 P59 A60 A61 L66 K67F2-L63 HydrophobicContact CE2-CD2 4.49Å; F2-L63 HydrophobicContact CZ-CD2 4.12Å; R21-L63 VanDerWaalsContact NH1-CD1 3.29Å; V23-L63 HydrophobicContact CG1-CD2 3.86Å; V23-L63 HydrophobicContact CG2-CD2 4.18Å; P59-L63 WeakPolarHBondContact O-CB 3.49Å; P59-L63 VanDerWaalsContact O-CG 3.25Å; P59-L63 WeakPolarHBondContact O-CG 3.12Å; P59-L63 PolarHBondContact O-N 2.94Å; A60-L63 PolarHBondContact O-N 3.43Å; A61-L63 VanDerWaalsContact C-N 3.33Å; A61-L63 PolarHBondContact O-N 3.06Å; L63-L66 PolarHBondContact O-N 2.79Å; L63-K67 VanDerWaalsContact O-CB 3.28Å; L63-K67 WeakPolarHBondContact O-CB 3.47Å; L63-K67 PolarHBondContact O-N 2.85Å
64I96.8Very high95.3Very high27 Ų2742.1 Ų42.114%0.13823%0.225CC..Hα-helixtrans-64.2-47.7173.4-65.9164000110.1A60 A61 L66 K67 Y68 L76 T80 T84 L96A60-I64 WeakPolarHBondContact O-CG1 3.2Å; A60-I64 PolarHBondContact O-N 3.1Å; A61-I64 PolarHBondContact O-N 2.82Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.4Å; I64-K67 PolarHBondContact O-N 3.01Å; I64-Y68 WeakPolarHBondContact O-CB 3.48Å; I64-Y68 PolarHBondContact O-N 2.96Å; I64-L76 HydrophobicContact CG2-CD2 4.38Å; I64-T80 WeakPolarHBondContact CD1-OG1 3.49Å; I64-T84 HydrophobicContact CB-CG2 4.11Å; I64-T84 HydrophobicContact CG2-CG2 3.64Å; I64-L96 HydrophobicContact CG2-CD1 4.5Å
65L97.3Very high95.1Very high0 Ų046.3 Ų46.30%025%0.248CC..Hα-helixtrans-54.9-48.1173.9178.273000111.4A61 F62 Y68 M69 A87 Y91 V93 L96A61-L65 PolarHBondContact O-N 3.34Å; F62-L65 HydrophobicContact CD2-CD2 4.37Å; F62-L65 WeakPolarHBondContact O-CB 3.47Å; F62-L65 PolarHBondContact O-N 3.47Å; L65-Y68 PolarHBondContact O-N 3.43Å; L65-M69 HydrophobicContact CD2-CE 4.38Å; L65-M69 HydrophobicContact CG-CE 3.91Å; L65-M69 WeakPolarHBondContact O-CE 3.5Å; L65-M69 PolarHBondContact O-N 2.96Å; L65-M69 VanDerWaalsContact O-N 3.1Å; L65-A87 HydrophobicContact CD2-CB 4.21Å; L65-Y91 HydrophobicContact CD2-CD2 3.43Å; L65-Y91 VanDerWaalsContact CD2-CD2 3.43Å; L65-Y91 HydrophobicContact CD2-CE2 4.18Å; L65-Y91 HydrophobicContact CD2-CG 4Å; L65-V93 HydrophobicContact CD1-CB 3.99Å; L65-V93 HydrophobicContact CD1-CG1 4.37Å; L65-V93 HydrophobicContact CD1-CG2 3.67Å; L65-L96 HydrophobicContact CB-CD2 4.19Å; L65-L96 HydrophobicContact CD1-CD2 3.62Å
66L96.1Very high95.1Very high0 Ų044.4 Ų44.40%023%0.233CC..Hα-helixtrans-65.4-42.2179.9-173.270.3000111.5F2 V23 A25 L30 F62 L63 I64 Y68 M69 Y70F2-L66 HydrophobicContact CD2-CB 4.47Å; F2-L66 HydrophobicContact CD2-CD2 4.15Å; F2-L66 HydrophobicContact CD2-CG 3.97Å; F2-L66 HydrophobicContact CE2-CB 3.93Å; F2-L66 HydrophobicContact CE2-CD2 3.89Å; F2-L66 HydrophobicContact CE2-CG 3.84Å; V23-L66 HydrophobicContact CG1-CD2 3.58Å; A25-L66 HydrophobicContact CB-CD1 4.09Å; L30-L66 HydrophobicContact CD2-CD1 3.5Å; L30-L66 HydrophobicContact CG-CD1 4.48Å; F62-L66 VanDerWaalsContact O-CB 3.26Å; F62-L66 WeakPolarHBondContact O-CB 3.27Å; F62-L66 PolarHBondContact O-N 3.26Å; L63-L66 PolarHBondContact O-N 2.79Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.4Å; L66-Y68 VanDerWaalsContact C-N 3.33Å; L66-Y68 PolarHBondContact O-N 3.41Å; L66-M69 HydrophobicContact CD1-CE 4.11Å; L66-M69 PolarHBondContact O-N 3.07Å; L66-Y70 HydrophobicContact CD1-CD2 4.02Å; L66-Y70 HydrophobicContact CD1-CE2 3.42Å; L66-Y70 VanDerWaalsContact CD1-CE2 3.42Å; L66-Y70 HydrophobicContact CG-CD2 4.22Å; L66-Y70 HydrophobicContact CG-CE2 4Å; L66-Y70 WeakPolarHBondContact O-CD2 3.28Å; L66-Y70 PolarHBondContact O-N 2.94Å
67K96.1Very high95.1Very high54 Ų5446.7 Ų46.724%0.23524%0.241CC..Hα-helixtrans-59.8-47.9177.4-172.5-178.1177.1-166.70109.9F2 L63 I64 M69 Y70 S71 E73 D75F2-K67 HydrophobicContact CD2-CB 4.16Å; F2-K67 HydrophobicContact CE2-CB 3.71Å; F2-K67 HydrophobicContact CE2-CG 4.47Å; F2-K67 VanDerWaalsContact CE2-N 3.33Å; F2-K67 HydrophobicContact CZ-CB 3.92Å; F2-K67 HydrophobicContact CZ-CG 4.47Å; L63-K67 VanDerWaalsContact O-CB 3.28Å; L63-K67 WeakPolarHBondContact O-CB 3.47Å; L63-K67 PolarHBondContact O-N 2.85Å; I64-K67 PolarHBondContact O-N 3.01Å; K67-M69 PolarHBondContact O-N 3.29Å; K67-Y70 PolarHBondContact O-N 3.36Å; K67-S71 PolarHBondContact O-N 3.37Å; K67-S71 PolarHBondContact O-OG 3.43Å; K67-S71 VanDerWaalsContact O-OG 3.08Å; K67-E73 WeakPolarHBondContact CE-OE2 3.49Å; K67-E73 IonicContact NZ-OE2 2.88Å; K67-E73 PolarHBondContact NZ-OE2 2.86Å; K67-D75 IonicContact NZ-OD2 3.47Å; K67-D75 PolarHBondContact NZ-OD2 2.8Å
68Y96.8Very high94.8Very high33 Ų3349.9 Ų49.913%0.12927%0.268CS..Hα-helixtrans-55.6-48.4177176.2-105.3000112.4I64 L65 L66 Y70 S71 D72 E73 I74 V93 A95 L96I64-Y68 WeakPolarHBondContact O-CB 3.48Å; I64-Y68 PolarHBondContact O-N 2.96Å; L65-Y68 PolarHBondContact O-N 3.43Å; L66-Y68 VanDerWaalsContact C-N 3.33Å; L66-Y68 PolarHBondContact O-N 3.41Å; Y68-Y70 PolarHBondContact O-N 2.63Å; Y68-Y70 VanDerWaalsContact O-N 3.1Å; Y68-S71 PolarHBondContact O-N 2.97Å; Y68-D72 HydrophobicContact CE2-CB 4.42Å; Y68-D72 WeakPolarHBondContact O-CA 3.49Å; Y68-D72 PolarHBondContact O-N 3.46Å; Y68-E73 WeakPolarHBondContact CA-O 3.47Å; Y68-I74 HydrophobicContact CD2-CD1 3.87Å; Y68-I74 HydrophobicContact CD2-CG1 3.4Å; Y68-I74 HydrophobicContact CE2-CD1 3.8Å; Y68-I74 HydrophobicContact CE2-CG1 3.82Å; Y68-I74 HydrophobicContact CG-CG1 4.32Å; Y68-V93 HydrophobicContact CD1-CG1 3.59Å; Y68-V93 HydrophobicContact CE1-CG1 3.4Å; Y68-V93 VanDerWaalsContact CE1-CG1 3.4Å; Y68-A95 WeakPolarHBondContact OH-CB 3.47Å; Y68-L96 HydrophobicContact CD1-CB 3.92Å; Y68-L96 HydrophobicContact CD1-CD2 4.37Å; Y68-L96 HydrophobicContact CE1-CB 4.14Å; Y68-L96 HydrophobicContact CG-CB 4.31Å; Y68-L96 HydrophobicContact CG-CD1 4.45Å; Y68-L96 HydrophobicContact CG-CD2 4.48Å
69M95.5Very high94.6Very high23 Ų2352 Ų5211%0.11328%0.283CS..Hα-helixtrans-63.2-18.4178.3-71.7-178.2-66.500114.4L30 F37 L65 L66 K67L30-M69 HydrophobicContact CD2-CE 3.16Å; L30-M69 HydrophobicContact CD2-SD 3.7Å; F37-M69 HydrophobicContact CD2-CE 4.38Å; F37-M69 HydrophobicContact CD2-SD 4.09Å; F37-M69 HydrophobicContact CE2-CE 3.89Å; F37-M69 HydrophobicContact CE2-SD 4.11Å; L65-M69 HydrophobicContact CD2-CE 4.38Å; L65-M69 HydrophobicContact CG-CE 3.91Å; L65-M69 WeakPolarHBondContact O-CE 3.5Å; L65-M69 PolarHBondContact O-N 2.96Å; L65-M69 VanDerWaalsContact O-N 3.1Å; L66-M69 HydrophobicContact CD1-CE 4.11Å; L66-M69 PolarHBondContact O-N 3.07Å; K67-M69 PolarHBondContact O-N 3.29Å
70Y95.5Very high94.6Very high46 Ų4651.5 Ų51.518%0.1828%0.279CS..Hα-helixtrans-99.6-26.7-178.3-83.5-113.1000113.6M1 F2 H26 V29 L30 L66 K67 Y68M1-Y70 HydrophobicContact CB-CD1 4.19Å; M1-Y70 HydrophobicContact CB-CE1 4.16Å; F2-Y70 HydrophobicContact CB-CD1 4.19Å; F2-Y70 HydrophobicContact CB-CG 4.27Å; H26-Y70 WeakPolarHBondContact CB-OH 3.22Å; H26-Y70 PolarHBondContact N-OH 3.46Å; H26-Y70 AromaticContact ND1-CE1 3.47Å; H26-Y70 WeakPolarHBondContact ND1-CE1 3.26Å; H26-Y70 AromaticContact ND1-CZ 3.54Å; H26-Y70 PolarHBondContact ND1-OH 3.49Å; V29-Y70 HydrophobicContact CB-CE1 4.43Å; V29-Y70 HydrophobicContact CB-CE2 4.13Å; V29-Y70 HydrophobicContact CG1-CD1 4.22Å; V29-Y70 HydrophobicContact CG1-CD2 3.69Å; V29-Y70 HydrophobicContact CG1-CE1 4.13Å; V29-Y70 HydrophobicContact CG1-CE2 3.58Å; V29-Y70 HydrophobicContact CG1-CG 4.04Å; V29-Y70 HydrophobicContact CG2-CE1 4.32Å; L30-Y70 HydrophobicContact CD2-CE2 4.29Å; L66-Y70 HydrophobicContact CD1-CD2 4.02Å; L66-Y70 HydrophobicContact CD1-CE2 3.42Å; L66-Y70 VanDerWaalsContact CD1-CE2 3.42Å; L66-Y70 HydrophobicContact CG-CD2 4.22Å; L66-Y70 HydrophobicContact CG-CE2 4Å; L66-Y70 WeakPolarHBondContact O-CD2 3.28Å; L66-Y70 PolarHBondContact O-N 2.94Å; K67-Y70 PolarHBondContact O-N 3.36Å; Y68-Y70 PolarHBondContact O-N 2.63Å; Y68-Y70 VanDerWaalsContact O-N 3.1Å
71S94.5Very high94.6Very high55 Ų5549.6 Ų49.639%0.38526%0.263SS..Hα-helixtrans-135.6-3.3-171.8640000115.3K67 Y68 E73K67-S71 PolarHBondContact O-N 3.37Å; K67-S71 PolarHBondContact O-OG 3.43Å; K67-S71 VanDerWaalsContact O-OG 3.08Å; Y68-S71 PolarHBondContact O-N 2.97Å; S71-E73 PolarHBondContact O-N 3.23Å; S71-E73 WeakPolarHBondContact OG-CB 3.03Å; S71-E73 PolarHBondContact OG-N 3.31Å
72D93.3Very high94.5Very high123 Ų12352 Ų5266%0.65828%0.276SS*.  trans56.811.2-169-74.3-51.6000114.3Y68Y68-D72 HydrophobicContact CE2-CB 4.42Å; Y68-D72 WeakPolarHBondContact O-CA 3.49Å; Y68-D72 PolarHBondContact O-N 3.46Å
73E94.5Very high94.4Very high104 Ų10453 Ų5349%0.48628%0.284SS..  trans-83136.9176.2-65.4-179.6177.500111K67 Y68 S71K67-E73 WeakPolarHBondContact CE-OE2 3.49Å; K67-E73 IonicContact NZ-OE2 2.88Å; K67-E73 PolarHBondContact NZ-OE2 2.86Å; Y68-E73 WeakPolarHBondContact CA-O 3.47Å; S71-E73 PolarHBondContact O-N 3.23Å; S71-E73 WeakPolarHBondContact OG-CB 3.03Å; S71-E73 PolarHBondContact OG-N 3.31Å
74I92.1Very high94.4Very high64 Ų6451.9 Ų51.933%0.32828%0.278SS..  trans-122.6111.5-180-60.7179.7000108.9Y68 L76 L96 A99Y68-I74 HydrophobicContact CD2-CD1 3.87Å; Y68-I74 HydrophobicContact CD2-CG1 3.4Å; Y68-I74 HydrophobicContact CE2-CD1 3.8Å; Y68-I74 HydrophobicContact CE2-CG1 3.82Å; Y68-I74 HydrophobicContact CG-CG1 4.32Å; I74-L76 HydrophobicContact CG2-CD1 3.85Å; I74-L76 HydrophobicContact CG2-CD2 4.21Å; I74-L76 HydrophobicContact CG2-CG 3.62Å; I74-L96 HydrophobicContact CD1-CD1 4.22Å; I74-L96 HydrophobicContact CG1-CD1 4.14Å; I74-L96 HydrophobicContact CG2-CD1 4.05Å; I74-A99 HydrophobicContact CD1-CB 3.62Å; I74-A99 HydrophobicContact CG2-CB 4.11Å
75D90.9Very high94.4Very high90 Ų9050.6 Ų50.648%0.48127%0.271SS..  trans-115105.3172.2-62.6-45000108.2K67K67-D75 IonicContact NZ-OD2 3.47Å; K67-D75 PolarHBondContact NZ-OD2 2.8Å
76L94.4Very high94.3Very high33 Ų3354.6 Ų54.617%0.17329%0.287CS..  trans-108.5138.3-178.7-64.6173.6000110.8I64 I74 V81 T84 A99 F103I64-L76 HydrophobicContact CG2-CD2 4.38Å; I74-L76 HydrophobicContact CG2-CD1 3.85Å; I74-L76 HydrophobicContact CG2-CD2 4.21Å; I74-L76 HydrophobicContact CG2-CG 3.62Å; L76-V81 HydrophobicContact CD1-CG2 4.48Å; L76-V81 HydrophobicContact CD2-CG2 4.45Å; L76-T84 HydrophobicContact CD2-CG2 4.01Å; L76-A99 HydrophobicContact CD1-CB 4.23Å; L76-F103 HydrophobicContact CB-CD2 3.95Å; L76-F103 HydrophobicContact CB-CE2 4.27Å; L76-F103 HydrophobicContact CB-CG 4.25Å; L76-F103 HydrophobicContact CD1-CB 3.88Å; L76-F103 HydrophobicContact CD1-CD2 4.49Å; L76-F103 HydrophobicContact CD1-CG 4.32Å
77E93.3Very high94.4Very high125 Ų12554.6 Ų54.658%0.58429%0.287SS*.  trans-125.9151.9176.4-61.6176.8174.700109.6D79 T80 V81E77-D79 PolarHBondContact O-N 3.43Å; E77-T80 PolarHBondContact O-N 3.35Å; E77-T80 VanDerWaalsContact O-N 3.15Å; E77-T80 PolarHBondContact O-OG1 2.93Å; E77-V81 WeakPolarHBondContact O-CB 3.43Å; E77-V81 PolarHBondContact O-N 3.47Å
78A89.8Confident94.5Very high72 Ų7252 Ų5260%0.59528%0.276SS*.THydrogen-bonded Turntrans-57.5-37-177.600000112.7
79D90.6Very high94.4Very high150 Ų15053.9 Ų53.980%0.80229%0.285SS*.THydrogen-bonded Turntrans-76.1-24.6-177-62.5-14.7000112.6E77E77-D79 PolarHBondContact O-N 3.43Å
80T94.3Very high94.4Very high15 Ų1555.9 Ų55.99%0.09229%0.293CS..THydrogen-bonded Turntrans-109.5-13.7-173.661.10000113.8A60 I64 E77 L82 A83 T84A60-T80 HydrophobicContact CB-CG2 4Å; I64-T80 WeakPolarHBondContact CD1-OG1 3.49Å; E77-T80 PolarHBondContact O-N 3.35Å; E77-T80 VanDerWaalsContact O-N 3.15Å; E77-T80 PolarHBondContact O-OG1 2.93Å; T80-L82 PolarHBondContact O-N 3Å; T80-A83 PolarHBondContact O-N 3.26Å; T80-T84 WeakPolarHBondContact O-CB 3.25Å; T80-T84 PolarHBondContact O-N 2.67Å; T80-T84 PolarHBondContact O-OG1 2.93Å
81V95.6Very high94.5Very high3 Ų354 Ų542%0.01829%0.285CS..Hα-helixtrans-62.9-37.8-17164.60000113.5L76 E77 T84 L85 C100 F103 L104L76-V81 HydrophobicContact CD1-CG2 4.48Å; L76-V81 HydrophobicContact CD2-CG2 4.45Å; E77-V81 WeakPolarHBondContact O-CB 3.43Å; E77-V81 PolarHBondContact O-N 3.47Å; V81-T84 PolarHBondContact O-N 3.38Å; V81-L85 WeakPolarHBondContact O-CB 3.48Å; V81-L85 PolarHBondContact O-N 2.81Å; V81-C100 HydrophobicContact CG2-CB 3.81Å; V81-F103 HydrophobicContact CB-CD1 4.04Å; V81-F103 HydrophobicContact CB-CE1 4.31Å; V81-F103 HydrophobicContact CG1-CD1 4Å; V81-F103 HydrophobicContact CG1-CE1 4.08Å; V81-F103 HydrophobicContact CG2-CB 4.27Å; V81-F103 HydrophobicContact CG2-CD1 3.78Å; V81-F103 HydrophobicContact CG2-CG 4.27Å; V81-L104 HydrophobicContact CG1-CD2 3.58Å; V81-L104 HydrophobicContact CG1-CG 4.18Å; V81-L104 HydrophobicContact CG2-CD1 4.44Å; V81-L104 HydrophobicContact CG2-CD2 4.37Å; V81-L104 HydrophobicContact CG2-CG 4.04Å
82L93.9Very high94.6Very high52 Ų5255.7 Ų55.727%0.27229%0.289SS..Hα-helixtrans-69.3-44.4178.5-72.8170.2000111.6T80 T84 L85 Y86 L104 L116 Q119 F123T80-L82 PolarHBondContact O-N 3Å; L82-T84 VanDerWaalsContact C-N 3.28Å; L82-T84 PolarHBondContact O-N 2.68Å; L82-L85 PolarHBondContact O-N 2.93Å; L82-Y86 PolarHBondContact O-N 3.02Å; L82-L104 HydrophobicContact CD2-CD1 3.86Å; L82-L104 HydrophobicContact CD2-CD2 4.12Å; L82-L104 HydrophobicContact CG-CD2 4.35Å; L82-L116 HydrophobicContact CD2-CD1 4.22Å; L82-Q119 HydrophobicContact CD1-CG 4.09Å; L82-Q119 HydrophobicContact CD2-CB 3.96Å; L82-Q119 HydrophobicContact CD2-CG 4.15Å; L82-F123 HydrophobicContact CD2-CE2 4.04Å
83A94.9Very high94.8Very high20 Ų2050 Ų5017%0.16526%0.259CS..Hα-helixtrans-64.6-35.5174.900000111.4E58 A61 T80 Y86 A87E58-A83 HydrophobicContact CB-CB 4.44Å; E58-A83 HydrophobicContact CG-CB 4.44Å; A61-A83 VanDerWaalsContact CB-C 3.42Å; A61-A83 HydrophobicContact CB-CB 3.66Å; A61-A83 WeakPolarHBondContact CB-O 3.31Å; T80-A83 PolarHBondContact O-N 3.26Å; A83-Y86 WeakPolarHBondContact O-CB 3.48Å; A83-Y86 PolarHBondContact O-N 3.12Å; A83-A87 PolarHBondContact O-N 2.89Å
84T97Very high94.9Very high0 Ų049.7 Ų49.70%027%0.266CS..Hα-helixtrans-68.2-41.8174.9-55.10000111.4I64 L76 T80 V81 L82 Y86 A87 A88 L96I64-T84 HydrophobicContact CB-CG2 4.11Å; I64-T84 HydrophobicContact CG2-CG2 3.64Å; L76-T84 HydrophobicContact CD2-CG2 4.01Å; T80-T84 WeakPolarHBondContact O-CB 3.25Å; T80-T84 PolarHBondContact O-N 2.67Å; T80-T84 PolarHBondContact O-OG1 2.93Å; V81-T84 PolarHBondContact O-N 3.38Å; L82-T84 VanDerWaalsContact C-N 3.28Å; L82-T84 PolarHBondContact O-N 2.68Å; T84-Y86 VanDerWaalsContact C-N 3.33Å; T84-Y86 PolarHBondContact O-N 3.3Å; T84-A87 PolarHBondContact O-N 3.19Å; T84-A88 VanDerWaalsContact O-CB 3.31Å; T84-A88 WeakPolarHBondContact O-CB 3.47Å; T84-A88 PolarHBondContact O-N 2.86Å; T84-L96 HydrophobicContact CG2-CD1 4.28Å; T84-L96 HydrophobicContact CG2-CD2 4.06Å; T84-L96 HydrophobicContact CG2-CG 4.27Å
85L96.8Very high95.1Very high0 Ų049.1 Ų49.10%027%0.27CS..Hα-helixtrans-60.1-43.8173.7177.657.4000111.2V81 L82 A88 K89 A97 C100 V101 L104 F123V81-L85 WeakPolarHBondContact O-CB 3.48Å; V81-L85 PolarHBondContact O-N 2.81Å; L82-L85 PolarHBondContact O-N 2.93Å; L85-A88 PolarHBondContact O-N 3.32Å; L85-K89 HydrophobicContact CD1-CD 4.14Å; L85-K89 HydrophobicContact CD1-CG 4.24Å; L85-K89 HydrophobicContact CG-CD 4.41Å; L85-K89 WeakPolarHBondContact O-CB 3.45Å; L85-K89 PolarHBondContact O-N 3.47Å; L85-A97 HydrophobicContact CD1-CB 3.98Å; L85-C100 HydrophobicContact CB-CB 3.82Å; L85-C100 HydrophobicContact CD1-CB 4.07Å; L85-C100 HydrophobicContact CG-CB 4.42Å; L85-V101 HydrophobicContact CD1-CG2 4Å; L85-V101 HydrophobicContact CD2-CG2 4.2Å; L85-L104 HydrophobicContact CD2-CD1 3.92Å; L85-F123 HydrophobicContact CD2-CB 4.4Å; L85-F123 HydrophobicContact CD2-CD2 3.74Å; L85-F123 HydrophobicContact CD2-CE2 4.13Å; L85-F123 HydrophobicContact CD2-CG 3.97Å; L85-F123 HydrophobicContact CG-CD1 4.35Å; L85-F123 HydrophobicContact CG-CD2 4.39Å; L85-F123 HydrophobicContact CG-CG 4.3Å
86Y95.7Very high95.4Very high85 Ų8544.8 Ų44.833%0.33325%0.248SC..Hα-helixtrans-56.9-51.4173.9175.7-99.3000111.5D56 V57 L82 A83 T84 A88 K89 K90 F123D56-Y86 WeakPolarHBondContact O-CE1 3.18Å; D56-Y86 PolarHBondContact OD2-OH 3.33Å; V57-Y86 HydrophobicContact CG2-CD1 4.1Å; V57-Y86 HydrophobicContact CG2-CE1 3.79Å; L82-Y86 PolarHBondContact O-N 3.02Å; A83-Y86 WeakPolarHBondContact O-CB 3.48Å; A83-Y86 PolarHBondContact O-N 3.12Å; T84-Y86 VanDerWaalsContact C-N 3.33Å; T84-Y86 PolarHBondContact O-N 3.3Å; Y86-A88 PolarHBondContact O-N 3.03Å; Y86-K89 PolarHBondContact O-N 3.18Å; Y86-K90 HydrophobicContact CE1-CD 3.98Å; Y86-K90 VanDerWaalsContact O-CB 3.25Å; Y86-K90 WeakPolarHBondContact O-CB 3.46Å; Y86-K90 PolarHBondContact O-N 3.05Å; Y86-F123 HydrophobicContact CD2-CE1 4.03Å; Y86-F123 HydrophobicContact CG-CE1 4.38Å
87A96.9Very high95.5Very high0 Ų043.8 Ų43.80%024%0.244CC..Hα-helixtrans-61.3-44.9178.800000111.9V57 L65 A83 T84 K89 K90 Y91V57-A87 HydrophobicContact CG1-CB 3.91Å; L65-A87 HydrophobicContact CD2-CB 4.21Å; A83-A87 PolarHBondContact O-N 2.89Å; T84-A87 PolarHBondContact O-N 3.19Å; A87-K89 PolarHBondContact O-N 3.02Å; A87-K90 PolarHBondContact O-N 3.19Å; A87-Y91 VanDerWaalsContact O-CD2 3.26Å; A87-Y91 WeakPolarHBondContact O-CD2 3.25Å; A87-Y91 PolarHBondContact O-N 2.81Å
88A97.4Very high95.6Very high0 Ų044.7 Ų44.70%025%0.246CC..Hα-helixtrans-61.2-41.6178.800000112.2T84 L85 Y86 I92 V93 L96 A97T84-A88 VanDerWaalsContact O-CB 3.31Å; T84-A88 WeakPolarHBondContact O-CB 3.47Å; T84-A88 PolarHBondContact O-N 2.86Å; L85-A88 PolarHBondContact O-N 3.32Å; Y86-A88 PolarHBondContact O-N 3.03Å; A88-I92 WeakPolarHBondContact O-CA 2.9Å; A88-I92 PolarHBondContact O-N 2.62Å; A88-V93 PolarHBondContact O-N 2.78Å; A88-L96 HydrophobicContact CB-CB 4.11Å; A88-L96 HydrophobicContact CB-CD2 3.99Å; A88-L96 HydrophobicContact CB-CG 3.95Å; A88-A97 HydrophobicContact CB-CB 3.92Å
89K95.8Very high95.9Very high72 Ų7242.3 Ų42.331%0.31323%0.226SC..Hα-helixtrans-68.7-47.2174.3-78.7179.2172.4-96.50111.9L85 Y86 A87 Y91 I92 A97 F123 E125L85-K89 HydrophobicContact CD1-CD 4.14Å; L85-K89 HydrophobicContact CD1-CG 4.24Å; L85-K89 HydrophobicContact CG-CD 4.41Å; L85-K89 WeakPolarHBondContact O-CB 3.45Å; L85-K89 PolarHBondContact O-N 3.47Å; Y86-K89 PolarHBondContact O-N 3.18Å; A87-K89 PolarHBondContact O-N 3.02Å; K89-Y91 VanDerWaalsContact C-N 3.26Å; K89-Y91 PolarHBondContact O-N 3.43Å; K89-I92 PolarHBondContact O-N 3.5Å; K89-A97 HydrophobicContact CG-CB 4.36Å; K89-F123 HydrophobicContact CD-CB 4.18Å; K89-F123 HydrophobicContact CD-CD1 3.94Å; K89-F123 HydrophobicContact CD-CG 4.43Å; K89-F123 WeakPolarHBondContact CE-O 3.43Å; K89-F123 PolarHBondContact NZ-O 2.82Å; K89-E125 WeakPolarHBondContact CE-OE1 3.27Å; K89-E125 IonicContact NZ-OE1 3.07Å; K89-E125 PolarHBondContact NZ-OE1 3.13Å
90K96Very high96.2Very high65 Ų6535.2 Ų35.228%0.28319%0.188SC..Hα-helixtrans-55.5-41.3179.1177.2175.6174.9175.50112.3D56 V57 Y86 A87D56-K90 IonicContact OD1-NZ 2.63Å; D56-K90 PolarHBondContact OD1-NZ 3.17Å; D56-K90 IonicContact OD2-NZ 2.96Å; D56-K90 PolarHBondContact OD2-NZ 2.91Å; V57-K90 HydrophobicContact CG2-CD 4.1Å; Y86-K90 HydrophobicContact CE1-CD 3.98Å; Y86-K90 VanDerWaalsContact O-CB 3.25Å; Y86-K90 WeakPolarHBondContact O-CB 3.46Å; Y86-K90 PolarHBondContact O-N 3.05Å; A87-K90 PolarHBondContact O-N 3.19Å
91Y96.9Very high96.3Very high5 Ų534.9 Ų34.92%0.0219%0.186CC..THydrogen-bonded Turntrans-97.38.7180-66-72.8000113.7S34 V36 F37 M40 I54 V57 F62 L65 A87 K89S34-Y91 WeakPolarHBondContact CB-O 3.47Å; S34-Y91 PolarHBondContact OG-O 3.39Å; V36-Y91 HydrophobicContact CB-CD1 4.21Å; V36-Y91 HydrophobicContact CG1-CD1 3.89Å; V36-Y91 HydrophobicContact CG1-CE1 4.33Å; F37-Y91 HydrophobicContact CD1-CD1 4.19Å; F37-Y91 HydrophobicContact CD1-CE1 4.19Å; F37-Y91 HydrophobicContact CD2-CD1 4.16Å; F37-Y91 AromaticContact CE1-CD1 3.63Å; F37-Y91 HydrophobicContact CE1-CD1 3.63Å; F37-Y91 AromaticContact CE1-CE1 3.37Å; F37-Y91 HydrophobicContact CE1-CE1 3.37Å; F37-Y91 AromaticContact CE2-CD1 3.57Å; F37-Y91 HydrophobicContact CE2-CD1 3.57Å; F37-Y91 HydrophobicContact CE2-CD2 4.5Å; F37-Y91 HydrophobicContact CE2-CE1 4.11Å; F37-Y91 AromaticContact CE2-CG 3.81Å; F37-Y91 HydrophobicContact CE2-CG 3.81Å; F37-Y91 HydrophobicContact CG-CD1 4.41Å; F37-Y91 AromaticContact CZ-CD1 3.28Å; F37-Y91 HydrophobicContact CZ-CD1 3.28Å; F37-Y91 HydrophobicContact CZ-CD2 4.24Å; F37-Y91 AromaticContact CZ-CE1 3.31Å; F37-Y91 HydrophobicContact CZ-CE1 3.31Å; F37-Y91 HydrophobicContact CZ-CE2 4.27Å; F37-Y91 AromaticContact CZ-CG 3.78Å; F37-Y91 HydrophobicContact CZ-CG 3.78Å; F37-Y91 AromaticContact CZ-CZ 3.85Å; M40-Y91 HydrophobicContact CE-CE1 4.39Å; I54-Y91 WeakPolarHBondContact CD1-OH 3.1Å; I54-Y91 WeakPolarHBondContact CG1-OH 3.48Å; I54-Y91 WeakPolarHBondContact CG2-OH 3.21Å; V57-Y91 HydrophobicContact CG2-CE2 4.46Å; F62-Y91 HydrophobicContact CD2-CE2 4.46Å; F62-Y91 HydrophobicContact CE2-CE2 4.33Å; L65-Y91 HydrophobicContact CD2-CD2 3.43Å; L65-Y91 VanDerWaalsContact CD2-CD2 3.43Å; L65-Y91 HydrophobicContact CD2-CE2 4.18Å; L65-Y91 HydrophobicContact CD2-CG 4Å; A87-Y91 VanDerWaalsContact O-CD2 3.26Å; A87-Y91 WeakPolarHBondContact O-CD2 3.25Å; A87-Y91 PolarHBondContact O-N 2.81Å; K89-Y91 VanDerWaalsContact C-N 3.26Å; K89-Y91 PolarHBondContact O-N 3.43Å
92I97.1Very high96.3Very high92 Ų9238.3 Ų38.347%0.47221%0.205SC..THydrogen-bonded Turntrans51.562.8177.1-49.1176.6000110.9V36 A88 K89 P94V36-I92 HydrophobicContact CG2-CB 4.2Å; V36-I92 HydrophobicContact CG2-CD1 3.62Å; V36-I92 HydrophobicContact CG2-CG1 3.65Å; A88-I92 WeakPolarHBondContact O-CA 2.9Å; A88-I92 PolarHBondContact O-N 2.62Å; K89-I92 PolarHBondContact O-N 3.5Å; I92-P94 WeakPolarHBondContact O-CD 3.39Å
93V97.4Very high96.3Very high4 Ų438.7 Ų38.72%0.02420%0.204CC..  trans-115.881.9173.6-174.60000108.3L65 Y68 A88 A95 L96 A97L65-V93 HydrophobicContact CD1-CB 3.99Å; L65-V93 HydrophobicContact CD1-CG1 4.37Å; L65-V93 HydrophobicContact CD1-CG2 3.67Å; Y68-V93 HydrophobicContact CD1-CG1 3.59Å; Y68-V93 HydrophobicContact CE1-CG1 3.4Å; Y68-V93 VanDerWaalsContact CE1-CG1 3.4Å; A88-V93 PolarHBondContact O-N 2.78Å; V93-A95 PolarHBondContact O-N 3.47Å; V93-L96 HydrophobicContact CB-CB 4.45Å; V93-L96 HydrophobicContact CG1-CB 3.81Å; V93-L96 PolarHBondContact O-N 3.47Å; V93-A97 PolarHBondContact O-N 3.15Å
94P95.8Very high96.3Very high97 Ų9738.2 Ų38.263%0.6320%0.199SC*.Hα-helixtrans-65.8-34.6-164.8-2435.7000114.1I92 A97 K98I92-P94 WeakPolarHBondContact O-CD 3.39Å; P94-A97 PolarHBondContact O-N 3.44Å; P94-K98 WeakPolarHBondContact O-CB 3.35Å; P94-K98 PolarHBondContact O-N 2.97Å
95A96.3Very high96.1Very high51 Ų5140.1 Ų40.142%0.42121%0.207SC..Hα-helixtrans-65.6-42.1179.700000111.9Y68 V93 K98 A99Y68-A95 WeakPolarHBondContact OH-CB 3.47Å; V93-A95 PolarHBondContact O-N 3.47Å; A95-K98 PolarHBondContact O-N 3.48Å; A95-A99 PolarHBondContact O-N 2.87Å
96L97.3Very high95.8Very high0 Ų045.4 Ų45.40%024%0.24CC..Hα-helixtrans-67.2-43.8173.8-178.261.5000111.3I64 L65 Y68 I74 T84 A88 V93 K98 A99 C100I64-L96 HydrophobicContact CG2-CD1 4.5Å; L65-L96 HydrophobicContact CB-CD2 4.19Å; L65-L96 HydrophobicContact CD1-CD2 3.62Å; Y68-L96 HydrophobicContact CD1-CB 3.92Å; Y68-L96 HydrophobicContact CD1-CD2 4.37Å; Y68-L96 HydrophobicContact CE1-CB 4.14Å; Y68-L96 HydrophobicContact CG-CB 4.31Å; Y68-L96 HydrophobicContact CG-CD1 4.45Å; Y68-L96 HydrophobicContact CG-CD2 4.48Å; I74-L96 HydrophobicContact CD1-CD1 4.22Å; I74-L96 HydrophobicContact CG1-CD1 4.14Å; I74-L96 HydrophobicContact CG2-CD1 4.05Å; T84-L96 HydrophobicContact CG2-CD1 4.28Å; T84-L96 HydrophobicContact CG2-CD2 4.06Å; T84-L96 HydrophobicContact CG2-CG 4.27Å; A88-L96 HydrophobicContact CB-CB 4.11Å; A88-L96 HydrophobicContact CB-CD2 3.99Å; A88-L96 HydrophobicContact CB-CG 3.95Å; V93-L96 HydrophobicContact CB-CB 4.45Å; V93-L96 HydrophobicContact CG1-CB 3.81Å; V93-L96 PolarHBondContact O-N 3.47Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.35Å; L96-A99 WeakPolarHBondContact O-CB 3.3Å; L96-A99 PolarHBondContact O-N 3.13Å; L96-A99 VanDerWaalsContact O-N 3.12Å; L96-C100 PolarHBondContact O-N 2.98Å; L96-C100 PolarHBondContact O-SG 3.39Å
97A96.4Very high95.6Very high11 Ų1143.3 Ų43.39%0.09124%0.238CC..Hα-helixtrans-57.5-45.1176.500000111.4L85 A88 K89 V93 P94 A99 C100 V101L85-A97 HydrophobicContact CD1-CB 3.98Å; A88-A97 HydrophobicContact CB-CB 3.92Å; K89-A97 HydrophobicContact CG-CB 4.36Å; V93-A97 PolarHBondContact O-N 3.15Å; P94-A97 PolarHBondContact O-N 3.44Å; A97-A99 PolarHBondContact O-N 3Å; A97-C100 WeakPolarHBondContact O-CB 3.33Å; A97-C100 PolarHBondContact O-N 3.22Å; A97-V101 WeakPolarHBondContact O-CG2 3.37Å; A97-V101 PolarHBondContact O-N 3.3Å
98K95.9Very high95.5Very high144 Ų14443.5 Ų43.563%0.62624%0.239SC*.Hα-helixtrans-61.4-41.4175.4-174.8175.1-178.1175.90112.2P94 A95 L96 C100 V101 N102P94-K98 WeakPolarHBondContact O-CB 3.35Å; P94-K98 PolarHBondContact O-N 2.97Å; A95-K98 PolarHBondContact O-N 3.48Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.35Å; K98-C100 VanDerWaalsContact C-N 3.34Å; K98-V101 PolarHBondContact O-N 3.3Å; K98-N102 WeakPolarHBondContact O-CB 3.45Å; K98-N102 VanDerWaalsContact O-CG 3.23Å; K98-N102 PolarHBondContact O-N 2.98Å; K98-N102 PolarHBondContact O-OD1 3.46Å
99A96.7Very high95.3Very high23 Ų2348.8 Ų48.819%0.1926%0.263CS..Hα-helixtrans-63-40.8175.900000112I74 L76 A95 L96 A97 N102 F103I74-A99 HydrophobicContact CD1-CB 3.62Å; I74-A99 HydrophobicContact CG2-CB 4.11Å; L76-A99 HydrophobicContact CD1-CB 4.23Å; A95-A99 PolarHBondContact O-N 2.87Å; L96-A99 WeakPolarHBondContact O-CB 3.3Å; L96-A99 PolarHBondContact O-N 3.13Å; L96-A99 VanDerWaalsContact O-N 3.12Å; A97-A99 PolarHBondContact O-N 3Å; A99-N102 PolarHBondContact O-N 3.44Å; A99-F103 WeakPolarHBondContact O-CB 3.46Å; A99-F103 PolarHBondContact O-N 3.44Å
100C96.9Very high95.3Very high0 Ų045.4 Ų45.40%025%0.249CC..Hα-helixtrans-62.9-44.9174.4-62.80000112.2V81 L85 L96 A97 K98 F103 L104V81-C100 HydrophobicContact CG2-CB 3.81Å; L85-C100 HydrophobicContact CB-CB 3.82Å; L85-C100 HydrophobicContact CD1-CB 4.07Å; L85-C100 HydrophobicContact CG-CB 4.42Å; L96-C100 PolarHBondContact O-N 2.98Å; L96-C100 PolarHBondContact O-SG 3.39Å; A97-C100 WeakPolarHBondContact O-CB 3.33Å; A97-C100 PolarHBondContact O-N 3.22Å; K98-C100 VanDerWaalsContact C-N 3.34Å; C100-F103 PolarHBondContact O-N 3.44Å; C100-L104 VanDerWaalsContact O-CG 3.3Å; C100-L104 WeakPolarHBondContact O-CG 3.33Å; C100-L104 PolarHBondContact O-N 2.82Å
101V95.8Very high95.3Very high9 Ų949.1 Ų49.16%0.05527%0.265CS..Hα-helixtrans-61.4-47177173.50000110.8L85 A97 K98 F103 L104 E105 E125 L128L85-V101 HydrophobicContact CD1-CG2 4Å; L85-V101 HydrophobicContact CD2-CG2 4.2Å; A97-V101 WeakPolarHBondContact O-CG2 3.37Å; A97-V101 PolarHBondContact O-N 3.3Å; K98-V101 PolarHBondContact O-N 3.3Å; V101-F103 VanDerWaalsContact C-N 3.31Å; V101-F103 PolarHBondContact O-N 2.95Å; V101-L104 WeakPolarHBondContact O-CB 3.49Å; V101-L104 PolarHBondContact O-N 3.4Å; V101-L104 VanDerWaalsContact O-N 3.13Å; V101-E105 HydrophobicContact CG1-CG 4.37Å; V101-E105 WeakPolarHBondContact O-CG 3.36Å; V101-E105 PolarHBondContact O-N 3.3Å; V101-E125 HydrophobicContact CG2-CG 3.97Å; V101-L128 HydrophobicContact CG1-CB 4.4Å
102N94.4Very high95.2Very high75 Ų7551.5 Ų51.540%0.40128%0.279SS..Hα-helixtrans-58.1-43.1176.5-71.1-8.1000112K98 A99 L104 E105 T106K98-N102 WeakPolarHBondContact O-CB 3.45Å; K98-N102 VanDerWaalsContact O-CG 3.23Å; K98-N102 PolarHBondContact O-N 2.98Å; K98-N102 PolarHBondContact O-OD1 3.46Å; A99-N102 PolarHBondContact O-N 3.44Å; N102-L104 VanDerWaalsContact C-N 3.34Å; N102-L104 PolarHBondContact O-N 2.84Å; N102-E105 PolarHBondContact O-N 3.32Å; N102-T106 WeakPolarHBondContact O-CG2 3.34Å; N102-T106 PolarHBondContact O-N 2.74Å; N102-T106 PolarHBondContact O-OG1 2.93Å
103F95.3Very high95.2Very high59 Ų5947.1 Ų47.126%0.25926%0.256SS..Hα-helixtrans-60.5-44.6176.5-178.3-82.2000111.5L76 V81 A99 C100 V101 T106 S107L76-F103 HydrophobicContact CB-CD2 3.95Å; L76-F103 HydrophobicContact CB-CE2 4.27Å; L76-F103 HydrophobicContact CB-CG 4.25Å; L76-F103 HydrophobicContact CD1-CB 3.88Å; L76-F103 HydrophobicContact CD1-CD2 4.49Å; L76-F103 HydrophobicContact CD1-CG 4.32Å; V81-F103 HydrophobicContact CB-CD1 4.04Å; V81-F103 HydrophobicContact CB-CE1 4.31Å; V81-F103 HydrophobicContact CG1-CD1 4Å; V81-F103 HydrophobicContact CG1-CE1 4.08Å; V81-F103 HydrophobicContact CG2-CB 4.27Å; V81-F103 HydrophobicContact CG2-CD1 3.78Å; V81-F103 HydrophobicContact CG2-CG 4.27Å; A99-F103 WeakPolarHBondContact O-CB 3.46Å; A99-F103 PolarHBondContact O-N 3.44Å; C100-F103 PolarHBondContact O-N 3.44Å; V101-F103 VanDerWaalsContact C-N 3.31Å; V101-F103 PolarHBondContact O-N 2.95Å; F103-T106 PolarHBondContact O-N 3.01Å; F103-T106 PolarHBondContact O-OG1 3.2Å; F103-S107 PolarHBondContact O-N 3.01Å; F103-S107 PolarHBondContact O-OG 2.92Å
104L94.9Very high95.2Very high11 Ų1147 Ų476%0.05826%0.255CS..Hα-helixtrans-63.8-39.2176.7-71.8168.7000112.2V81 L82 L85 C100 V101 N102 S107 L108 L116 L128V81-L104 HydrophobicContact CG1-CD2 3.58Å; V81-L104 HydrophobicContact CG1-CG 4.18Å; V81-L104 HydrophobicContact CG2-CD1 4.44Å; V81-L104 HydrophobicContact CG2-CD2 4.37Å; V81-L104 HydrophobicContact CG2-CG 4.04Å; L82-L104 HydrophobicContact CD2-CD1 3.86Å; L82-L104 HydrophobicContact CD2-CD2 4.12Å; L82-L104 HydrophobicContact CG-CD2 4.35Å; L85-L104 HydrophobicContact CD2-CD1 3.92Å; C100-L104 VanDerWaalsContact O-CG 3.3Å; C100-L104 WeakPolarHBondContact O-CG 3.33Å; C100-L104 PolarHBondContact O-N 2.82Å; V101-L104 WeakPolarHBondContact O-CB 3.49Å; V101-L104 PolarHBondContact O-N 3.4Å; V101-L104 VanDerWaalsContact O-N 3.13Å; N102-L104 VanDerWaalsContact C-N 3.34Å; N102-L104 PolarHBondContact O-N 2.84Å; L104-S107 PolarHBondContact O-N 2.94Å; L104-S107 PolarHBondContact O-OG 3.48Å; L104-L108 PolarHBondContact O-N 3.34Å; L104-L108 VanDerWaalsContact O-N 3.07Å; L104-L116 HydrophobicContact CB-CD1 4.21Å; L104-L116 HydrophobicContact CB-CD2 4.22Å; L104-L116 HydrophobicContact CD1-CD1 4.08Å; L104-L116 HydrophobicContact CD2-CD1 3.81Å; L104-L116 HydrophobicContact CG-CD1 4.25Å; L104-L128 HydrophobicContact CB-CD1 4.36Å; L104-L128 HydrophobicContact CB-CD2 4.3Å; L104-L128 HydrophobicContact CD1-CD2 4.26Å
105E92.1Very high95.2Very high39 Ų3943.8 Ų43.818%0.18223%0.234CC..Hα-helixtrans-66.5-36.2176-72.5-170.9160.800113V101 N102 L128V101-E105 HydrophobicContact CG1-CG 4.37Å; V101-E105 WeakPolarHBondContact O-CG 3.36Å; V101-E105 PolarHBondContact O-N 3.3Å; N102-E105 PolarHBondContact O-N 3.32Å; E105-L128 HydrophobicContact CG-CD1 3.63Å
106T90.3Very high95.2Very high112 Ų11241.7 Ų41.769%0.68722%0.215SC*.Hα-helixtrans-75.1-27.5177.856.20000113.4N102 F103N102-T106 WeakPolarHBondContact O-CG2 3.34Å; N102-T106 PolarHBondContact O-N 2.74Å; N102-T106 PolarHBondContact O-OG1 2.93Å; F103-T106 PolarHBondContact O-N 3.01Å; F103-T106 PolarHBondContact O-OG1 3.2Å
107S92Very high95.2Very high40 Ų4041.8 Ų41.828%0.2822%0.216SC..SBendtrans-96.85.8177.5580000113.3F103 L104 E109 N112F103-S107 PolarHBondContact O-N 3.01Å; F103-S107 PolarHBondContact O-OG 2.92Å; L104-S107 PolarHBondContact O-N 2.94Å; L104-S107 PolarHBondContact O-OG 3.48Å; S107-E109 PolarHBondContact O-N 3.14Å; S107-N112 PolarHBondContact O-ND2 3.39Å
108L94.3Very high95Very high4 Ų442.3 Ų42.32%0.02122%0.219CC..  trans-69.4119179176.965.8000110.9L104 A113 L116 R131 V135L104-L108 PolarHBondContact O-N 3.34Å; L104-L108 VanDerWaalsContact O-N 3.07Å; L108-A113 HydrophobicContact CD1-CB 3.75Å; L108-L116 HydrophobicContact CB-CD2 4.3Å; L108-L116 HydrophobicContact CD1-CD2 3.67Å; L108-L116 HydrophobicContact CG-CD2 4.49Å; L108-R131 HydrophobicContact CD2-CB 3.74Å; L108-V135 HydrophobicContact CD2-CG2 3.78Å; L108-V135 HydrophobicContact CG-CG2 3.98Å
109E94.4Very high94.8Very high111 Ų11138 Ų3852%0.51920%0.201SC..  trans-134.4162.3177.5-64.5-176.8-177.500109.9S107 K111 N112 A113S107-E109 PolarHBondContact O-N 3.14Å; E109-K111 PolarHBondContact O-N 3.43Å; E109-N112 PolarHBondContact N-OD1 3.38Å; E109-N112 PolarHBondContact O-N 2.87Å; E109-N112 VanDerWaalsContact O-N 3.11Å; E109-N112 PolarHBondContact O-OD1 2.91Å; E109-A113 WeakPolarHBondContact O-CB 3.34Å; E109-A113 PolarHBondContact O-N 3.08Å
110A95.8Very high94.7Very high2 Ų236.9 Ų36.92%0.01719%0.192CC..Hα-helixtrans-51.4-35177.100000113.1N112 V135 Q139 M142 A143A110-N112 PolarHBondContact O-N 2.9Å; A110-V135 HydrophobicContact CB-CG1 4.22Å; A110-Q139 HydrophobicContact CB-CB 3.97Å; A110-M142 HydrophobicContact CB-CB 3.67Å; A110-M142 HydrophobicContact CB-CE 4.41Å; A110-A143 HydrophobicContact CB-CB 4.35Å; A110-A143 VanDerWaalsContact O-CA 3.26Å; A110-A143 WeakPolarHBondContact O-CA 3.35Å; A110-A143 WeakPolarHBondContact O-CB 3.5Å
111K95.4Very high94.5Very high142 Ų14241.6 Ų41.662%0.61721%0.209SC*.Hα-helixtrans-68.2-30.8-176.9-63.8178-177.8173.60114.5E109 S146E109-K111 PolarHBondContact O-N 3.43Å; K111-S146 WeakPolarHBondContact O-CB 3.34Å; K111-S146 PolarHBondContact O-OG 3.15Å
112N95.1Very high94.2Very high56 Ų5647.2 Ų47.230%0.29924%0.238SC..Hα-helixtrans-110.4-8.4-178.5678.2000112.9S107 E109 A110 C114 V115 L116S107-N112 PolarHBondContact O-ND2 3.39Å; E109-N112 PolarHBondContact N-OD1 3.38Å; E109-N112 PolarHBondContact O-N 2.87Å; E109-N112 VanDerWaalsContact O-N 3.11Å; E109-N112 PolarHBondContact O-OD1 2.91Å; A110-N112 PolarHBondContact O-N 2.9Å; N112-C114 VanDerWaalsContact C-N 3.3Å; N112-C114 PolarHBondContact O-N 3.24Å; N112-V115 PolarHBondContact O-N 3.5Å; N112-L116 WeakPolarHBondContact O-CB 3.41Å; N112-L116 PolarHBondContact O-N 3.44Å
113A97.3Very high94Very high0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-57.4-37.1-175.600000113.8L108 E109 L117 V135 I136L108-A113 HydrophobicContact CD1-CB 3.75Å; E109-A113 WeakPolarHBondContact O-CB 3.34Å; E109-A113 PolarHBondContact O-N 3.08Å; A113-L117 VanDerWaalsContact O-CB 3.23Å; A113-L117 WeakPolarHBondContact O-CB 3.4Å; A113-L117 PolarHBondContact O-N 2.91Å; A113-V135 HydrophobicContact CB-CB 4.3Å; A113-V135 HydrophobicContact CB-CG1 3.89Å; A113-I136 HydrophobicContact CB-CD1 4.25Å; A113-I136 HydrophobicContact CB-CG1 3.75Å
114C97.5Very high93.8Very high0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-68.5-41.4179.4-62.50000112.6N112 S118 F149 I152 I160N112-C114 VanDerWaalsContact C-N 3.3Å; N112-C114 PolarHBondContact O-N 3.24Å; C114-S118 PolarHBondContact O-N 3.2Å; C114-F149 HydrophobicContact CB-CB 4.38Å; C114-F149 HydrophobicContact CB-CD2 4.32Å; C114-I152 HydrophobicContact CB-CG2 3.89Å; C114-I152 WeakPolarHBondContact O-CG2 3.38Å; C114-I160 HydrophobicContact CB-CD1 4.3Å
115V95.3Very high93.8Very high30 Ų3051 Ų5118%0.18225%0.254CS..Hα-helixtrans-66-48.5174.81800000109.4N112 L117 S118 Q119 G148 E151N112-V115 PolarHBondContact O-N 3.5Å; V115-L117 PolarHBondContact O-N 3.03Å; V115-S118 WeakPolarHBondContact O-CB 3.45Å; V115-S118 PolarHBondContact O-N 3.29Å; V115-Q119 HydrophobicContact CG1-CG 4.31Å; V115-Q119 WeakPolarHBondContact O-CG 3.45Å; V115-Q119 PolarHBondContact O-N 3.28Å; V115-G148 VanDerWaalsContact CG2-CA 3.46Å; V115-G148 WeakPolarHBondContact CG2-O 3.43Å; V115-E151 HydrophobicContact CG2-CB 4.12Å
116L95.8Very high93.9Very high8 Ų853.6 Ų53.64%0.04227%0.274CS..Hα-helixtrans-64.5-29.3-178.9-167.154.2000112.6L82 L104 L108 N112 Q119 S120 L128L82-L116 HydrophobicContact CD2-CD1 4.22Å; L104-L116 HydrophobicContact CB-CD1 4.21Å; L104-L116 HydrophobicContact CB-CD2 4.22Å; L104-L116 HydrophobicContact CD1-CD1 4.08Å; L104-L116 HydrophobicContact CD2-CD1 3.81Å; L104-L116 HydrophobicContact CG-CD1 4.25Å; L108-L116 HydrophobicContact CB-CD2 4.3Å; L108-L116 HydrophobicContact CD1-CD2 3.67Å; L108-L116 HydrophobicContact CG-CD2 4.49Å; N112-L116 WeakPolarHBondContact O-CB 3.41Å; N112-L116 PolarHBondContact O-N 3.44Å; L116-Q119 PolarHBondContact O-N 2.78Å; L116-S120 WeakPolarHBondContact O-CB 3.36Å; L116-S120 PolarHBondContact O-N 3.1Å; L116-S120 PolarHBondContact O-OG 3.17Å; L116-L128 HydrophobicContact CD1-CD2 4.04Å; L116-L128 HydrophobicContact CD2-CD1 3.93Å; L116-L128 HydrophobicContact CG-CD1 4.22Å; L116-L128 HydrophobicContact CG-CD2 4.32Å; L116-L128 HydrophobicContact CG-CG 4.39Å
117L96.8Very high94Very high1 Ų155.2 Ų55.21%0.00527%0.274CS..Hα-helixtrans-62.9-46.8169.5176.168000111.8A113 V115 Q119 S120 R121 T129 C132 W133 I136 T156 I160A113-L117 VanDerWaalsContact O-CB 3.23Å; A113-L117 WeakPolarHBondContact O-CB 3.4Å; A113-L117 PolarHBondContact O-N 2.91Å; V115-L117 PolarHBondContact O-N 3.03Å; L117-Q119 VanDerWaalsContact C-N 3.33Å; L117-S120 PolarHBondContact O-OG 2.92Å; L117-S120 VanDerWaalsContact O-OG 3.12Å; L117-R121 VanDerWaalsContact O-CG 3.27Å; L117-R121 WeakPolarHBondContact O-CG 3.49Å; L117-R121 PolarHBondContact O-N 2.9Å; L117-T129 HydrophobicContact CD1-CG2 3.91Å; L117-C132 HydrophobicContact CB-CB 3.93Å; L117-C132 HydrophobicContact CD1-CB 4.14Å; L117-W133 HydrophobicContact CD1-CD2 4.02Å; L117-W133 HydrophobicContact CD1-CG 4.37Å; L117-W133 HydrophobicContact CD1-CZ2 3.85Å; L117-W133 HydrophobicContact CD2-CD2 4.23Å; L117-W133 HydrophobicContact CD2-CE3 4.13Å; L117-W133 HydrophobicContact CD2-CH2 3.36Å; L117-W133 HydrophobicContact CD2-CZ2 3.47Å; L117-W133 VanDerWaalsContact CD2-CZ2 3.47Å; L117-W133 HydrophobicContact CD2-CZ3 3.7Å; L117-W133 HydrophobicContact CG-CZ2 4.24Å; L117-I136 HydrophobicContact CB-CD1 4.09Å; L117-I136 HydrophobicContact CD2-CD1 3.74Å; L117-I136 HydrophobicContact CG-CD1 4.45Å; L117-T156 HydrophobicContact CD2-CG2 4.14Å; L117-I160 HydrophobicContact CD2-CD1 4.09Å; L117-I160 HydrophobicContact CD2-CG1 3.93Å
118S93.8Very high94.2Very high22 Ų2253.4 Ų53.415%0.15426%0.261CS..Hα-helixtrans-60.7-45.9176.7-177.30000110.5C114 V115 R121 L122 D153C114-S118 PolarHBondContact O-N 3.2Å; V115-S118 WeakPolarHBondContact O-CB 3.45Å; V115-S118 PolarHBondContact O-N 3.29Å; S118-R121 PolarHBondContact O-N 3.11Å; S118-L122 PolarHBondContact O-N 3.07Å; S118-D153 PolarHBondContact OG-OD2 3.4Å; S118-D153 VanDerWaalsContact OG-OD2 3.07Å
119Q92Very high94.2Very high53 Ų5354.3 Ų54.325%0.24827%0.267CS..Hα-helixtrans-68-45.3-179.5-60.1-52.4-4300113.2L82 V115 L116 L117 R121 L122 F123L82-Q119 HydrophobicContact CD1-CG 4.09Å; L82-Q119 HydrophobicContact CD2-CB 3.96Å; L82-Q119 HydrophobicContact CD2-CG 4.15Å; V115-Q119 HydrophobicContact CG1-CG 4.31Å; V115-Q119 WeakPolarHBondContact O-CG 3.45Å; V115-Q119 PolarHBondContact O-N 3.28Å; L116-Q119 PolarHBondContact O-N 2.78Å; L117-Q119 VanDerWaalsContact C-N 3.33Å; Q119-R121 PolarHBondContact O-N 3.32Å; Q119-L122 WeakPolarHBondContact O-CA 3.05Å; Q119-L122 WeakPolarHBondContact O-CB 3.36Å; Q119-L122 PolarHBondContact O-N 3.41Å; Q119-F123 HydrophobicContact CB-CD2 4.25Å; Q119-F123 HydrophobicContact CB-CE2 4.12Å; Q119-F123 WeakPolarHBondContact O-CD2 3.21Å; Q119-F123 PolarHBondContact O-N 2.85Å
120S94.1Very high94.3Very high0 Ų053.5 Ų53.50%026%0.263CS..Hα-helixtrans-61.7-33.7179.758.70000112.4L116 L117 F123 E124 E125 T129L116-S120 WeakPolarHBondContact O-CB 3.36Å; L116-S120 PolarHBondContact O-N 3.1Å; L116-S120 PolarHBondContact O-OG 3.17Å; L117-S120 PolarHBondContact O-OG 2.92Å; L117-S120 VanDerWaalsContact O-OG 3.12Å; S120-F123 PolarHBondContact O-N 2.86Å; S120-E124 PolarHBondContact O-N 3.15Å; S120-E124 VanDerWaalsContact O-N 3.08Å; S120-E125 PolarHBondContact O-N 3.23Å; S120-T129 WeakPolarHBondContact CB-OG1 3.41Å; S120-T129 WeakPolarHBondContact OG-CA 3.46Å; S120-T129 PolarHBondContact OG-OG1 3.34Å
121R91.7Very high94.2Very high99 Ų9957.2 Ų57.237%0.37428%0.277SS..Hα-helixtrans-67.5-40.4172.2-70.3173.665.4-140.5-3.6112.1L117 S118 Q119 F123 E124 T129 T156 I159L117-R121 VanDerWaalsContact O-CG 3.27Å; L117-R121 WeakPolarHBondContact O-CG 3.49Å; L117-R121 PolarHBondContact O-N 2.9Å; S118-R121 PolarHBondContact O-N 3.11Å; Q119-R121 PolarHBondContact O-N 3.32Å; R121-F123 VanDerWaalsContact C-N 3.31Å; R121-E124 PolarHBondContact O-N 3.43Å; R121-T129 HydrophobicContact CG-CG2 4.24Å; R121-T156 PolarHBondContact NH1-OG1 3.05Å; R121-I159 VanDerWaalsContact CZ-CD1 3.41Å; R121-I159 VanDerWaalsContact NH1-CD1 3.3Å; R121-I159 VanDerWaalsContact NH2-CD1 3.26Å
122L90.2Very high94.3Very high127 Ų12750.5 Ų50.567%0.66525%0.247SC*.Hα-helixtrans-64-37.3175.4-178.466.9000111.9S118 Q119 E124S118-L122 PolarHBondContact O-N 3.07Å; Q119-L122 WeakPolarHBondContact O-CA 3.05Å; Q119-L122 WeakPolarHBondContact O-CB 3.36Å; Q119-L122 PolarHBondContact O-N 3.41Å; L122-E124 VanDerWaalsContact C-N 3.33Å
123F90.3Very high94.4Very high20 Ų2048.9 Ų48.99%0.08824%0.237CC..THydrogen-bonded Turntrans-84.8-1.8179-68.4-57.9000114.5L82 L85 Y86 K89 Q119 S120 R121 E125L82-F123 HydrophobicContact CD2-CE2 4.04Å; L85-F123 HydrophobicContact CD2-CB 4.4Å; L85-F123 HydrophobicContact CD2-CD2 3.74Å; L85-F123 HydrophobicContact CD2-CE2 4.13Å; L85-F123 HydrophobicContact CD2-CG 3.97Å; L85-F123 HydrophobicContact CG-CD1 4.35Å; L85-F123 HydrophobicContact CG-CD2 4.39Å; L85-F123 HydrophobicContact CG-CG 4.3Å; Y86-F123 HydrophobicContact CD2-CE1 4.03Å; Y86-F123 HydrophobicContact CG-CE1 4.38Å; K89-F123 HydrophobicContact CD-CB 4.18Å; K89-F123 HydrophobicContact CD-CD1 3.94Å; K89-F123 HydrophobicContact CD-CG 4.43Å; K89-F123 WeakPolarHBondContact CE-O 3.43Å; K89-F123 PolarHBondContact NZ-O 2.82Å; Q119-F123 HydrophobicContact CB-CD2 4.25Å; Q119-F123 HydrophobicContact CB-CE2 4.12Å; Q119-F123 WeakPolarHBondContact O-CD2 3.21Å; Q119-F123 PolarHBondContact O-N 2.85Å; S120-F123 PolarHBondContact O-N 2.86Å; R121-F123 VanDerWaalsContact C-N 3.31Å; F123-E125 VanDerWaalsContact C-N 3.34Å; F123-E125 HydrophobicContact CB-CG 4.04Å; F123-E125 PolarHBondContact O-N 3.34Å
124E91.8Very high94.3Very high168 Ų16850.9 Ų50.979%0.78525%0.247SC*.THydrogen-bonded Turntrans54.346.6-175-57.7-178.3173.600112.6S120 R121 L122 P126S120-E124 PolarHBondContact O-N 3.15Å; S120-E124 VanDerWaalsContact O-N 3.08Å; R121-E124 PolarHBondContact O-N 3.43Å; L122-E124 VanDerWaalsContact C-N 3.33Å; E124-P126 WeakPolarHBondContact O-CD 3.26Å
125E94.4Very high94.3Very high37 Ų3751 Ų5117%0.17325%0.247CC..  trans-102.585.2177.3-70.5-63.1157.300110.5K89 V101 S120 F123 E127 L128 T129K89-E125 WeakPolarHBondContact CE-OE1 3.27Å; K89-E125 IonicContact NZ-OE1 3.07Å; K89-E125 PolarHBondContact NZ-OE1 3.13Å; V101-E125 HydrophobicContact CG2-CG 3.97Å; S120-E125 PolarHBondContact O-N 3.23Å; F123-E125 VanDerWaalsContact C-N 3.34Å; F123-E125 HydrophobicContact CB-CG 4.04Å; F123-E125 PolarHBondContact O-N 3.34Å; E125-E127 VanDerWaalsContact C-N 3.34Å; E125-E127 PolarHBondContact O-N 2.81Å; E125-L128 HydrophobicContact CB-CB 3.91Å; E125-L128 HydrophobicContact CB-CD2 4.4Å; E125-L128 PolarHBondContact O-N 2.86Å; E125-T129 WeakPolarHBondContact O-CB 3.43Å; E125-T129 PolarHBondContact O-N 3.18Å; E125-T129 PolarHBondContact O-OG1 3.16Å
126P94Very high94.4Very high93 Ų9349.5 Ų49.560%0.60424%0.238SC*.Hα-helixtrans-66.3-34.2-171.226.4-35.7000113.2E124 T129 Q130E124-P126 WeakPolarHBondContact O-CD 3.26Å; P126-T129 PolarHBondContact O-N 2.93Å; P126-Q130 WeakPolarHBondContact O-CB 3.4Å; P126-Q130 PolarHBondContact O-N 3.19Å
127E92.8Very high94.5Very high147 Ų14749.6 Ų49.669%0.68724%0.239SC*.Hα-helixtrans-66.2-49.2178.1-65.8178.6-179.800110.2E125 T129 Q130 R131E125-E127 VanDerWaalsContact C-N 3.34Å; E125-E127 PolarHBondContact O-N 2.81Å; E127-T129 PolarHBondContact O-N 2.85Å; E127-Q130 WeakPolarHBondContact O-CB 3.46Å; E127-Q130 PolarHBondContact O-N 2.85Å; E127-Q130 VanDerWaalsContact O-N 3.14Å; E127-R131 WeakPolarHBondContact O-CG 3.43Å; E127-R131 PolarHBondContact O-N 3Å
128L94.5Very high94.5Very high1 Ų149.7 Ų49.71%0.00524%0.239CC..Hα-helixtrans-61.5-41.4174.7-178.261.1000112.1V101 L104 E105 L116 E125 Q130 R131 C132V101-L128 HydrophobicContact CG1-CB 4.4Å; L104-L128 HydrophobicContact CB-CD1 4.36Å; L104-L128 HydrophobicContact CB-CD2 4.3Å; L104-L128 HydrophobicContact CD1-CD2 4.26Å; E105-L128 HydrophobicContact CG-CD1 3.63Å; L116-L128 HydrophobicContact CD1-CD2 4.04Å; L116-L128 HydrophobicContact CD2-CD1 3.93Å; L116-L128 HydrophobicContact CG-CD1 4.22Å; L116-L128 HydrophobicContact CG-CD2 4.32Å; L116-L128 HydrophobicContact CG-CG 4.39Å; E125-L128 HydrophobicContact CB-CB 3.91Å; E125-L128 HydrophobicContact CB-CD2 4.4Å; E125-L128 PolarHBondContact O-N 2.86Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 2.91Å; L128-R131 PolarHBondContact O-N 3.01Å; L128-C132 PolarHBondContact O-N 3.26Å; L128-C132 PolarHBondContact O-SG 3.01Å
129T96.2Very high94.6Very high23 Ų2349.8 Ų49.814%0.14124%0.237CC..Hα-helixtrans-58.6-44.5173.8-71.60000111.3L117 S120 R121 E125 P126 E127 C132 W133L117-T129 HydrophobicContact CD1-CG2 3.91Å; S120-T129 WeakPolarHBondContact CB-OG1 3.41Å; S120-T129 WeakPolarHBondContact OG-CA 3.46Å; S120-T129 PolarHBondContact OG-OG1 3.34Å; R121-T129 HydrophobicContact CG-CG2 4.24Å; E125-T129 WeakPolarHBondContact O-CB 3.43Å; E125-T129 PolarHBondContact O-N 3.18Å; E125-T129 PolarHBondContact O-OG1 3.16Å; P126-T129 PolarHBondContact O-N 2.93Å; E127-T129 PolarHBondContact O-N 2.85Å; T129-C132 PolarHBondContact O-N 3.45Å; T129-W133 PolarHBondContact O-N 3.07Å
130Q95.3Very high94.9Very high94 Ų9447.3 Ų47.344%0.43923%0.226SC..Hα-helixtrans-63.7-41.6177.4177.456.232.700111.4P126 E127 L128 W133 E134P126-Q130 WeakPolarHBondContact O-CB 3.4Å; P126-Q130 PolarHBondContact O-N 3.19Å; E127-Q130 WeakPolarHBondContact O-CB 3.46Å; E127-Q130 PolarHBondContact O-N 2.85Å; E127-Q130 VanDerWaalsContact O-N 3.14Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 2.91Å; Q130-W133 WeakPolarHBondContact O-CB 3.22Å; Q130-W133 PolarHBondContact O-N 3.12Å; Q130-E134 PolarHBondContact NE2-OE1 3.27Å; Q130-E134 WeakPolarHBondContact O-CG 3.32Å; Q130-E134 PolarHBondContact O-N 2.86Å
131R94.3Very high95Very high81 Ų8149.8 Ų49.831%0.30624%0.238SC..Hα-helixtrans-61.6-42.9174.1-66.4-52.6-167.3173.92.8112.8L108 E127 L128 W133 E134 V135L108-R131 HydrophobicContact CD2-CB 3.74Å; E127-R131 WeakPolarHBondContact O-CG 3.43Å; E127-R131 PolarHBondContact O-N 3Å; L128-R131 PolarHBondContact O-N 3.01Å; R131-W133 PolarHBondContact O-N 2.88Å; R131-E134 VanDerWaalsContact CD-OE2 3.26Å; R131-E134 WeakPolarHBondContact CD-OE2 3.34Å; R131-E134 IonicContact CZ-OE2 3.48Å; R131-E134 IonicContact NE-OE2 3.71Å; R131-E134 IonicContact NH1-OE2 2.65Å; R131-E134 PolarHBondContact NH1-OE2 2.84Å; R131-E134 PolarHBondContact O-N 3.28Å; R131-V135 PolarHBondContact O-N 3.07Å
132C97.4Very high95.2Very high0 Ų048.4 Ų48.40%024%0.236CC..Hα-helixtrans-58.3-41.7175-65.50000110.8L117 L128 T129 V135 I136L117-C132 HydrophobicContact CB-CB 3.93Å; L117-C132 HydrophobicContact CD1-CB 4.14Å; L128-C132 PolarHBondContact O-N 3.26Å; L128-C132 PolarHBondContact O-SG 3.01Å; T129-C132 PolarHBondContact O-N 3.45Å; C132-V135 PolarHBondContact O-N 3.48Å; C132-I136 WeakPolarHBondContact O-CB 3.39Å; C132-I136 WeakPolarHBondContact O-CD1 3.5Å; C132-I136 WeakPolarHBondContact O-CG1 3.09Å; C132-I136 PolarHBondContact O-N 2.98Å
133W97.4Very high95.6Very high22 Ų2242.3 Ų42.38%0.08321%0.205CC..Hα-helixtrans-65.5-41177.7-79.6130.7000114L117 T129 Q130 R131 V135 I136 D137 I159 I160 R163L117-W133 HydrophobicContact CD1-CD2 4.02Å; L117-W133 HydrophobicContact CD1-CG 4.37Å; L117-W133 HydrophobicContact CD1-CZ2 3.85Å; L117-W133 HydrophobicContact CD2-CD2 4.23Å; L117-W133 HydrophobicContact CD2-CE3 4.13Å; L117-W133 HydrophobicContact CD2-CH2 3.36Å; L117-W133 HydrophobicContact CD2-CZ2 3.47Å; L117-W133 VanDerWaalsContact CD2-CZ2 3.47Å; L117-W133 HydrophobicContact CD2-CZ3 3.7Å; L117-W133 HydrophobicContact CG-CZ2 4.24Å; T129-W133 PolarHBondContact O-N 3.07Å; Q130-W133 WeakPolarHBondContact O-CB 3.22Å; Q130-W133 PolarHBondContact O-N 3.12Å; R131-W133 PolarHBondContact O-N 2.88Å; W133-V135 VanDerWaalsContact C-N 3.29Å; W133-V135 PolarHBondContact O-N 3.39Å; W133-I136 HydrophobicContact CE3-CB 4.25Å; W133-I136 HydrophobicContact CE3-CD1 4.15Å; W133-I136 HydrophobicContact CE3-CG2 4.19Å; W133-I136 HydrophobicContact CZ3-CD1 4.28Å; W133-I136 HydrophobicContact CZ3-CG2 4.14Å; W133-I136 PolarHBondContact O-N 3.24Å; W133-D137 WeakPolarHBondContact O-CB 3.49Å; W133-D137 VanDerWaalsContact O-CG 3.3Å; W133-D137 PolarHBondContact O-N 3.21Å; W133-I159 HydrophobicContact CH2-CG2 3.76Å; W133-I159 HydrophobicContact CZ2-CG2 3.62Å; W133-I160 HydrophobicContact CH2-CG1 3.77Å; W133-I160 HydrophobicContact CZ3-CG1 3.89Å; W133-R163 VanDerWaalsContact CE3-NH1 3.3Å
134E95.4Very high96Very high43 Ų4341.5 Ų41.520%0.20120%0.201CC..Hα-helixtrans-56.6-45.7175.6-72.9164.7-167.400111.1Q130 R131 A138 F294Q130-E134 PolarHBondContact NE2-OE1 3.27Å; Q130-E134 WeakPolarHBondContact O-CG 3.32Å; Q130-E134 PolarHBondContact O-N 2.86Å; R131-E134 VanDerWaalsContact CD-OE2 3.26Å; R131-E134 WeakPolarHBondContact CD-OE2 3.34Å; R131-E134 IonicContact CZ-OE2 3.48Å; R131-E134 IonicContact NE-OE2 3.71Å; R131-E134 IonicContact NH1-OE2 2.65Å; R131-E134 PolarHBondContact NH1-OE2 2.84Å; R131-E134 PolarHBondContact O-N 3.28Å; E134-A138 VanDerWaalsContact O-CB 3.29Å; E134-A138 WeakPolarHBondContact O-CB 3.43Å; E134-A138 PolarHBondContact O-N 3.02Å; E134-F294 HydrophobicContact CB-CE2 4.18Å
135V97.1Very high96.3Very high1 Ų140.5 Ų40.51%0.00619%0.19CC..Hα-helixtrans-67.7-47.9177.5174.50000111.7L108 A110 A113 R131 C132 W133 D137 A138 Q139 F294L108-V135 HydrophobicContact CD2-CG2 3.78Å; L108-V135 HydrophobicContact CG-CG2 3.98Å; A110-V135 HydrophobicContact CB-CG1 4.22Å; A113-V135 HydrophobicContact CB-CB 4.3Å; A113-V135 HydrophobicContact CB-CG1 3.89Å; R131-V135 PolarHBondContact O-N 3.07Å; C132-V135 PolarHBondContact O-N 3.48Å; W133-V135 VanDerWaalsContact C-N 3.29Å; W133-V135 PolarHBondContact O-N 3.39Å; V135-D137 VanDerWaalsContact C-N 3.3Å; V135-D137 PolarHBondContact O-N 2.95Å; V135-A138 PolarHBondContact O-N 2.73Å; V135-Q139 WeakPolarHBondContact O-CA 3.07Å; V135-Q139 WeakPolarHBondContact O-CB 3.42Å; V135-Q139 PolarHBondContact O-N 2.93Å; V135-F294 HydrophobicContact CB-CZ 4.35Å; V135-F294 HydrophobicContact CG2-CE1 4.43Å; V135-F294 HydrophobicContact CG2-CZ 3.81Å
136I98.1Very high96.4Very high0 Ų039.3 Ų39.30%019%0.186CC..Hα-helixtrans-61.4-39.7179.7-70.5164.7000110.9A113 L117 C132 W133 A140 A143 I160 L166A113-I136 HydrophobicContact CB-CD1 4.25Å; A113-I136 HydrophobicContact CB-CG1 3.75Å; L117-I136 HydrophobicContact CB-CD1 4.09Å; L117-I136 HydrophobicContact CD2-CD1 3.74Å; L117-I136 HydrophobicContact CG-CD1 4.45Å; C132-I136 WeakPolarHBondContact O-CB 3.39Å; C132-I136 WeakPolarHBondContact O-CD1 3.5Å; C132-I136 WeakPolarHBondContact O-CG1 3.09Å; C132-I136 PolarHBondContact O-N 2.98Å; W133-I136 HydrophobicContact CE3-CB 4.25Å; W133-I136 HydrophobicContact CE3-CD1 4.15Å; W133-I136 HydrophobicContact CE3-CG2 4.19Å; W133-I136 HydrophobicContact CZ3-CD1 4.28Å; W133-I136 HydrophobicContact CZ3-CG2 4.14Å; W133-I136 PolarHBondContact O-N 3.24Å; I136-A140 WeakPolarHBondContact O-CA 3.36Å; I136-A140 WeakPolarHBondContact O-CB 3.45Å; I136-A140 PolarHBondContact O-N 2.83Å; I136-A140 VanDerWaalsContact O-N 3.1Å; I136-A143 HydrophobicContact CG1-CB 4.36Å; I136-I160 HydrophobicContact CG2-CG2 4.47Å; I136-L166 HydrophobicContact CG2-CD2 3.68Å
137D97.4Very high96.5Very high10 Ų1042.8 Ų42.85%0.05319%0.194CC..Hα-helixtrans-71.7-47.2179.9-73.7-27.8000111.7W133 V135 R163 A165 N167 L258W133-D137 WeakPolarHBondContact O-CB 3.49Å; W133-D137 VanDerWaalsContact O-CG 3.3Å; W133-D137 PolarHBondContact O-N 3.21Å; V135-D137 VanDerWaalsContact C-N 3.3Å; V135-D137 PolarHBondContact O-N 2.95Å; D137-R163 WeakPolarHBondContact OD1-CD 3.46Å; D137-R163 IonicContact OD1-CZ 2.68Å; D137-R163 IonicContact OD1-NE 3.44Å; D137-R163 PolarHBondContact OD1-NE 3.46Å; D137-R163 IonicContact OD2-CZ 2.62Å; D137-R163 IonicContact OD2-NE 3.11Å; D137-R163 PolarHBondContact OD2-NE 3.11Å; D137-R163 IonicContact OD2-NH2 2.9Å; D137-R163 PolarHBondContact OD2-NH2 3.02Å; D137-A165 HydrophobicContact CB-CB 4.27Å; D137-A165 VanDerWaalsContact CG-CB 3.5Å; D137-A165 WeakPolarHBondContact OD2-CB 3.47Å; D137-N167 WeakPolarHBondContact O-CB 3.21Å; D137-N167 PolarHBondContact O-N 2.9Å; D137-L258 HydrophobicContact CB-CD1 4.12Å; D137-L258 HydrophobicContact CB-CD2 4.08Å; D137-L258 HydrophobicContact CB-CG 4.29Å
138A96.4Very high96.6Very high2 Ų236.1 Ų36.12%0.01717%0.165CC..Hα-helixtrans-72.6-38.4-175.300000113E134 V135 L258 F294 P346E134-A138 VanDerWaalsContact O-CB 3.29Å; E134-A138 WeakPolarHBondContact O-CB 3.43Å; E134-A138 PolarHBondContact O-N 3.02Å; V135-A138 PolarHBondContact O-N 2.73Å; A138-L258 HydrophobicContact CB-CD1 3.96Å; A138-F294 HydrophobicContact CB-CB 3.94Å; A138-F294 HydrophobicContact CB-CD1 3.6Å; A138-F294 HydrophobicContact CB-CD2 3.54Å; A138-F294 HydrophobicContact CB-CE1 3.94Å; A138-F294 HydrophobicContact CB-CE2 3.9Å; A138-F294 HydrophobicContact CB-CG 3.39Å; A138-F294 HydrophobicContact CB-CZ 4.09Å; A138-P346 WeakPolarHBondContact O-CD 3.34Å; A138-P346 WeakPolarHBondContact O-CG 3.19Å
139Q96.8Very high96.8Very high24 Ų2436.1 Ų36.111%0.11217%0.165CC..THydrogen-bonded Turntrans-113.637-177.6-58.7-175.5-51.300111.4A110 V135 E141 M142 A143 F294 P346A110-Q139 HydrophobicContact CB-CB 3.97Å; V135-Q139 WeakPolarHBondContact O-CA 3.07Å; V135-Q139 WeakPolarHBondContact O-CB 3.42Å; V135-Q139 PolarHBondContact O-N 2.93Å; Q139-E141 VanDerWaalsContact C-N 3.32Å; Q139-E141 PolarHBondContact O-N 2.86Å; Q139-M142 HydrophobicContact CB-CB 4.46Å; Q139-M142 HydrophobicContact CB-SD 4.36Å; Q139-M142 PolarHBondContact O-N 2.82Å; Q139-A143 PolarHBondContact O-N 2.86Å; Q139-F294 HydrophobicContact CG-CD1 4.12Å; Q139-F294 HydrophobicContact CG-CE1 4.06Å; Q139-P346 PolarHBondContact NE2-O 3.03Å
140A97.3Very high96.9Very high1 Ų136.3 Ų36.31%0.00817%0.167CC..Hα-helixtrans-50.9-45.1-172.900000113.9I136 M142 A143 L144 L166 T168I136-A140 WeakPolarHBondContact O-CA 3.36Å; I136-A140 WeakPolarHBondContact O-CB 3.45Å; I136-A140 PolarHBondContact O-N 2.83Å; I136-A140 VanDerWaalsContact O-N 3.1Å; A140-M142 PolarHBondContact O-N 3.31Å; A140-A143 PolarHBondContact O-N 2.89Å; A140-L144 VanDerWaalsContact O-CB 3.27Å; A140-L144 WeakPolarHBondContact O-CB 3.31Å; A140-L144 WeakPolarHBondContact O-CG 3.21Å; A140-L144 PolarHBondContact O-N 3.36Å; A140-L166 HydrophobicContact CB-CB 4.24Å; A140-L166 HydrophobicContact CB-CD2 4.15Å; A140-T168 HydrophobicContact CB-CG2 3.77Å
141E96.3Very high96.9Very high53 Ų5337.6 Ų37.625%0.24817%0.173CC..Hα-helixtrans-61.4-43.2178.9177.6158.4-15400112.9Q139 R145 V172 H345Q139-E141 VanDerWaalsContact C-N 3.32Å; Q139-E141 PolarHBondContact O-N 2.86Å; E141-R145 WeakPolarHBondContact O-CB 3.34Å; E141-R145 VanDerWaalsContact O-CG 3.26Å; E141-R145 WeakPolarHBondContact O-CG 3.42Å; E141-R145 PolarHBondContact O-N 3.15Å; E141-R145 VanDerWaalsContact O-N 3.15Å; E141-R145 IonicContact OE1-CZ 3.19Å; E141-R145 IonicContact OE1-NE 3.37Å; E141-R145 PolarHBondContact OE1-NE 2.86Å; E141-R145 IonicContact OE1-NH2 2.67Å; E141-R145 PolarHBondContact OE1-NH2 2.68Å; E141-V172 HydrophobicContact CB-CG1 4.28Å; E141-V172 HydrophobicContact CG-CG1 3.99Å; E141-V172 HydrophobicContact CG-CG2 4.44Å; E141-H345 IonicContact OE2-CE1 2.82Å
142M96.8Very high97Very high69 Ų6934 Ų3434%0.3416%0.159SC..Hα-helixtrans-66.7-41.1177.6-63.4174.764.600111.4A110 Q139 A140 S146 H345A110-M142 HydrophobicContact CB-CB 3.67Å; A110-M142 HydrophobicContact CB-CE 4.41Å; Q139-M142 HydrophobicContact CB-CB 4.46Å; Q139-M142 HydrophobicContact CB-SD 4.36Å; Q139-M142 PolarHBondContact O-N 2.82Å; A140-M142 PolarHBondContact O-N 3.31Å; M142-S146 PolarHBondContact O-N 2.7Å; M142-H345 HydrophobicContact SD-CB 3.92Å
143A98.1Very high96.8Very high0 Ų036.8 Ų36.80%017%0.174CC..Hα-helixtrans-67.6-46.3-179.800000112A110 I136 Q139 A140 R145 S146A110-A143 HydrophobicContact CB-CB 4.35Å; A110-A143 VanDerWaalsContact O-CA 3.26Å; A110-A143 WeakPolarHBondContact O-CA 3.35Å; A110-A143 WeakPolarHBondContact O-CB 3.5Å; I136-A143 HydrophobicContact CG1-CB 4.36Å; Q139-A143 PolarHBondContact O-N 2.86Å; A140-A143 PolarHBondContact O-N 2.89Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 PolarHBondContact O-N 2.85Å; A143-S146 VanDerWaalsContact O-CB 3.31Å; A143-S146 WeakPolarHBondContact O-CB 3.45Å; A143-S146 PolarHBondContact O-N 3.22Å; A143-S146 PolarHBondContact O-OG 2.99Å
144L98.1Very high96.8Very high3 Ų342.2 Ų42.22%0.01620%0.195CC..Hα-helixtrans-69.6-27.2-178.5-67.3179.4000113.4A140 S146 F149 I160 T168 V173 A176A140-L144 VanDerWaalsContact O-CB 3.27Å; A140-L144 WeakPolarHBondContact O-CB 3.31Å; A140-L144 WeakPolarHBondContact O-CG 3.21Å; A140-L144 PolarHBondContact O-N 3.36Å; L144-S146 VanDerWaalsContact C-N 3.33Å; L144-F149 HydrophobicContact CD2-CD2 3.65Å; L144-F149 HydrophobicContact CD2-CE2 3.3Å; L144-F149 HydrophobicContact CD2-CG 4.38Å; L144-F149 HydrophobicContact CD2-CZ 3.78Å; L144-I160 HydrophobicContact CD2-CG2 3.78Å; L144-T168 HydrophobicContact CD1-CG2 3.97Å; L144-V173 HydrophobicContact CD1-CG2 3.96Å; L144-A176 HydrophobicContact CB-CB 3.72Å; L144-A176 VanDerWaalsContact O-CB 3.31Å; L144-A176 WeakPolarHBondContact O-CB 3.39Å
145R97.4Very high96.8Very high147 Ų14746.4 Ų46.456%0.55522%0.215SC*.THydrogen-bonded Turntrans-84.5-5.1174.9-69-179.8-177.7-147.85.9113.7E141 A143 V172E141-R145 WeakPolarHBondContact O-CB 3.34Å; E141-R145 VanDerWaalsContact O-CG 3.26Å; E141-R145 WeakPolarHBondContact O-CG 3.42Å; E141-R145 PolarHBondContact O-N 3.15Å; E141-R145 VanDerWaalsContact O-N 3.15Å; E141-R145 IonicContact OE1-CZ 3.19Å; E141-R145 IonicContact OE1-NE 3.37Å; E141-R145 PolarHBondContact OE1-NE 2.86Å; E141-R145 IonicContact OE1-NH2 2.67Å; E141-R145 PolarHBondContact OE1-NH2 2.68Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 PolarHBondContact O-N 2.85Å; R145-V172 HydrophobicContact CG-CG1 4.5Å
146S97.7Very high96.7Very high12 Ų1246.5 Ų46.58%0.08422%0.215CC..SBendtrans-73.7154.7-177.5730000112.7K111 M142 A143 L144 G148 F149K111-S146 WeakPolarHBondContact O-CB 3.34Å; K111-S146 PolarHBondContact O-OG 3.15Å; M142-S146 PolarHBondContact O-N 2.7Å; A143-S146 VanDerWaalsContact O-CB 3.31Å; A143-S146 WeakPolarHBondContact O-CB 3.45Å; A143-S146 PolarHBondContact O-N 3.22Å; A143-S146 PolarHBondContact O-OG 2.99Å; L144-S146 VanDerWaalsContact C-N 3.33Å; S146-G148 PolarHBondContact O-N 3.27Å; S146-F149 PolarHBondContact O-N 3.33Å; S146-F149 PolarHBondContact OG-N 2.72Å; S146-F149 VanDerWaalsContact OG-N 3.12Å
147E96Very high96.7Very high165 Ų16546.5 Ų46.577%0.77122%0.215SC*.Hα-helixtrans-60.6-36.1169.3-65.7-178.2172.100111.2F149 C150 E151E147-F149 PolarHBondContact O-N 3.22Å; E147-C150 WeakPolarHBondContact O-CA 3.33Å; E147-C150 WeakPolarHBondContact O-CB 3.45Å; E147-C150 PolarHBondContact O-N 3.26Å; E147-E151 PolarHBondContact O-N 2.84Å
148G95.6Very high96.7Very high8 Ų848.1 Ų48.18%0.08222%0.223CC..Hα-helixtrans-59.9-30.2176.900000113.7V115 S146 C150 E151 I152V115-G148 VanDerWaalsContact CG2-CA 3.46Å; V115-G148 WeakPolarHBondContact CG2-O 3.43Å; S146-G148 PolarHBondContact O-N 3.27Å; G148-C150 VanDerWaalsContact C-N 3.34Å; G148-E151 PolarHBondContact O-N 2.84Å; G148-I152 WeakPolarHBondContact O-CG2 3.23Å
149F98.1Very high96.8Very high1 Ų151.2 Ų51.20%0.00424%0.238CC..Hα-helixtrans-65.2-37.9171.9-177.7-99.4000112C114 L144 S146 E147 E151 I152 L157 I160 A176 W180C114-F149 HydrophobicContact CB-CB 4.38Å; C114-F149 HydrophobicContact CB-CD2 4.32Å; L144-F149 HydrophobicContact CD2-CD2 3.65Å; L144-F149 HydrophobicContact CD2-CE2 3.3Å; L144-F149 HydrophobicContact CD2-CG 4.38Å; L144-F149 HydrophobicContact CD2-CZ 3.78Å; S146-F149 PolarHBondContact O-N 3.33Å; S146-F149 PolarHBondContact OG-N 2.72Å; S146-F149 VanDerWaalsContact OG-N 3.12Å; E147-F149 PolarHBondContact O-N 3.22Å; F149-E151 PolarHBondContact O-N 3.36Å; F149-I152 HydrophobicContact CD2-CD1 3.81Å; F149-I152 HydrophobicContact CE2-CD1 3.8Å; F149-I152 HydrophobicContact CG-CD1 4.46Å; F149-I152 HydrophobicContact CZ-CD1 4.45Å; F149-I152 WeakPolarHBondContact O-CD1 3.29Å; F149-I152 VanDerWaalsContact O-CG1 3.22Å; F149-I152 WeakPolarHBondContact O-CG1 3.4Å; F149-I152 PolarHBondContact O-N 3.36Å; F149-L157 HydrophobicContact CE1-CD1 3.85Å; F149-L157 HydrophobicContact CE2-CD1 4.1Å; F149-L157 HydrophobicContact CZ-CD1 3.31Å; F149-I160 HydrophobicContact CD2-CD1 4.26Å; F149-I160 HydrophobicContact CE2-CB 4.47Å; F149-I160 HydrophobicContact CE2-CD1 4.06Å; F149-I160 HydrophobicContact CE2-CG2 4.05Å; F149-A176 HydrophobicContact CD1-CB 4.14Å; F149-A176 HydrophobicContact CE1-CB 3.76Å; F149-A176 WeakPolarHBondContact CE1-O 3.49Å; F149-A176 HydrophobicContact CZ-CB 4.32Å; F149-W180 HydrophobicContact CD1-CB 4.32Å; F149-W180 HydrophobicContact CE1-CB 3.94Å
150C97.3Very high96.8Very high27 Ų2750.1 Ų50.118%0.18223%0.233CC..Hα-helixtrans-69.9-20.5178.3-66.80000113.1E147 G148 A183 R187E147-C150 WeakPolarHBondContact O-CA 3.33Å; E147-C150 WeakPolarHBondContact O-CB 3.45Å; E147-C150 PolarHBondContact O-N 3.26Å; G148-C150 VanDerWaalsContact C-N 3.34Å; C150-A183 HydrophobicContact CB-CB 3.81Å; C150-R187 PolarHBondContact O-NH1 2.8Å; C150-R187 PolarHBondContact O-NH2 2.9Å
151E95.3Very high96.8Very high121 Ų12150 Ų5057%0.56523%0.232SC*.Hα-helixtrans-82.4-18.3-178.9-68.8179.9174.300113.6V115 E147 G148 F149 R187V115-E151 HydrophobicContact CG2-CB 4.12Å; E147-E151 PolarHBondContact O-N 2.84Å; G148-E151 PolarHBondContact O-N 2.84Å; F149-E151 PolarHBondContact O-N 3.36Å; E151-R187 VanDerWaalsContact C-NH1 3.26Å; E151-R187 PolarHBondContact O-NH1 3.42Å
152I96.6Very high96.8Very high4 Ų451 Ų512%0.02124%0.242CC..SBendtrans-67.7157.6-176.975.1-166.7000112.9C114 G148 F149 T156 L157 I160 W180 R187C114-I152 HydrophobicContact CB-CG2 3.89Å; C114-I152 WeakPolarHBondContact O-CG2 3.38Å; G148-I152 WeakPolarHBondContact O-CG2 3.23Å; F149-I152 HydrophobicContact CD2-CD1 3.81Å; F149-I152 HydrophobicContact CE2-CD1 3.8Å; F149-I152 HydrophobicContact CG-CD1 4.46Å; F149-I152 HydrophobicContact CZ-CD1 4.45Å; F149-I152 WeakPolarHBondContact O-CD1 3.29Å; F149-I152 VanDerWaalsContact O-CG1 3.22Å; F149-I152 WeakPolarHBondContact O-CG1 3.4Å; F149-I152 PolarHBondContact O-N 3.36Å; I152-T156 HydrophobicContact CB-CG2 4.16Å; I152-T156 HydrophobicContact CD1-CG2 4.18Å; I152-T156 HydrophobicContact CG2-CG2 4.33Å; I152-L157 HydrophobicContact CD1-CB 4.12Å; I152-L157 HydrophobicContact CG1-CB 4.37Å; I152-I160 HydrophobicContact CD1-CD1 3.78Å; I152-W180 PolarHBondContact O-NE1 3.33Å; I152-R187 PolarHBondContact O-NH2 3.34Å; I152-R187 VanDerWaalsContact O-NH2 3.17Å
153D94.7Very high96.8Very high59 Ų5950.7 Ų50.732%0.31624%0.237SC..  trans-75161.8171.87290.5000112.3S118 Q155 T156 L157S118-D153 PolarHBondContact OG-OD2 3.4Å; S118-D153 VanDerWaalsContact OG-OD2 3.07Å; D153-Q155 VanDerWaalsContact C-N 3.29Å; D153-Q155 PolarHBondContact O-N 3.23Å; D153-Q155 WeakPolarHBondContact OD1-CA 3.23Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.36Å; D153-Q155 PolarHBondContact OD1-N 2.9Å; D153-T156 PolarHBondContact O-N 3.34Å; D153-T156 PolarHBondContact OD1-N 3.33Å; D153-T156 VanDerWaalsContact OD2-CB 3.29Å; D153-T156 WeakPolarHBondContact OD2-CB 3.47Å; D153-T156 PolarHBondContact OD2-OG1 2.92Å; D153-L157 PolarHBondContact O-N 2.86Å
154R95.6Very high96.8Very high136 Ų13655.1 Ų55.151%0.51326%0.258SS..Hα-helixtrans-60.2-34.3-178.1-172.5179.565.4-176.6-2.5113.3L157 E158 W180R154-L157 WeakPolarHBondContact O-CB 3.34Å; R154-L157 PolarHBondContact O-N 2.63Å; R154-E158 WeakPolarHBondContact O-CG 3.5Å; R154-E158 PolarHBondContact O-N 2.84Å; R154-W180 HydrophobicContact CB-CH2 3.92Å; R154-W180 HydrophobicContact CB-CZ2 4.02Å; R154-W180 HydrophobicContact CG-CH2 4.1Å
155Q95.3Very high96.7Very high132 Ų13256 Ų5662%0.61727%0.266SS*.Hα-helixtrans-68.7-41.8-179.6-55179.1-6.600110.3D153 E158 I159D153-Q155 VanDerWaalsContact C-N 3.29Å; D153-Q155 PolarHBondContact O-N 3.23Å; D153-Q155 WeakPolarHBondContact OD1-CA 3.23Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.36Å; D153-Q155 PolarHBondContact OD1-N 2.9Å; Q155-E158 PolarHBondContact O-N 3.33Å; Q155-I159 WeakPolarHBondContact O-CD1 3.2Å; Q155-I159 VanDerWaalsContact O-CG1 3.31Å; Q155-I159 WeakPolarHBondContact O-CG1 3.29Å; Q155-I159 PolarHBondContact O-N 3.02Å; Q155-I159 VanDerWaalsContact O-N 3.15Å
156T96.4Very high96.7Very high2 Ų249.1 Ų49.11%0.01224%0.24CC..Hα-helixtrans-64.4-41.4174.8-58.60000111.4L117 R121 I152 D153 E158 I159 I160L117-T156 HydrophobicContact CD2-CG2 4.14Å; R121-T156 PolarHBondContact NH1-OG1 3.05Å; I152-T156 HydrophobicContact CB-CG2 4.16Å; I152-T156 HydrophobicContact CD1-CG2 4.18Å; I152-T156 HydrophobicContact CG2-CG2 4.33Å; D153-T156 PolarHBondContact O-N 3.34Å; D153-T156 PolarHBondContact OD1-N 3.33Å; D153-T156 VanDerWaalsContact OD2-CB 3.29Å; D153-T156 WeakPolarHBondContact OD2-CB 3.47Å; D153-T156 PolarHBondContact OD2-OG1 2.92Å; T156-E158 PolarHBondContact O-N 2.85Å; T156-I159 PolarHBondContact O-N 2.9Å; T156-I160 HydrophobicContact CG2-CD1 4.05Å; T156-I160 HydrophobicContact CG2-CG1 4.49Å; T156-I160 WeakPolarHBondContact O-CG1 3.4Å; T156-I160 PolarHBondContact O-N 3.41Å
157L98Very high96.5Very high0 Ų051 Ų510%025%0.249CC..Hα-helixtrans-53.2-52.8171.6175.374.9000111.7F149 I152 D153 R154 I159 I160 V161 V177 W180 L201 A204F149-L157 HydrophobicContact CE1-CD1 3.85Å; F149-L157 HydrophobicContact CE2-CD1 4.1Å; F149-L157 HydrophobicContact CZ-CD1 3.31Å; I152-L157 HydrophobicContact CD1-CB 4.12Å; I152-L157 HydrophobicContact CG1-CB 4.37Å; D153-L157 PolarHBondContact O-N 2.86Å; R154-L157 WeakPolarHBondContact O-CB 3.34Å; R154-L157 PolarHBondContact O-N 2.63Å; L157-I159 VanDerWaalsContact C-N 3.28Å; L157-I159 PolarHBondContact O-N 2.87Å; L157-I160 PolarHBondContact O-N 3.19Å; L157-V161 HydrophobicContact CD1-CG2 3.95Å; L157-V161 HydrophobicContact CG-CG2 4.23Å; L157-V161 WeakPolarHBondContact O-CB 3.32Å; L157-V161 VanDerWaalsContact O-CG2 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.46Å; L157-V161 PolarHBondContact O-N 3.49Å; L157-V177 HydrophobicContact CD1-CG2 4.34Å; L157-W180 HydrophobicContact CD1-CB 4.34Å; L157-W180 HydrophobicContact CD1-CD2 4.27Å; L157-W180 HydrophobicContact CD1-CG 4.02Å; L157-W180 HydrophobicContact CD2-CD2 3.58Å; L157-W180 HydrophobicContact CD2-CE3 3.48Å; L157-W180 VanDerWaalsContact CD2-CE3 3.48Å; L157-W180 HydrophobicContact CD2-CG 4.21Å; L157-W180 HydrophobicContact CD2-CH2 4.03Å; L157-W180 HydrophobicContact CD2-CZ2 4.1Å; L157-W180 HydrophobicContact CD2-CZ3 3.73Å; L157-W180 HydrophobicContact CG-CD2 4.38Å; L157-L201 HydrophobicContact CD2-CD2 4.19Å; L157-A204 HydrophobicContact CD2-CB 3.78Å; L157-A204 HydrophobicContact CG-CB 4.5Å
158E97.7Very high96.5Very high45 Ų4544.5 Ų44.521%0.2122%0.22CC..Hα-helixtrans-59.6-39-177.6-73.8179-16800112.2R154 Q155 T156 T162 A204 L207R154-E158 WeakPolarHBondContact O-CG 3.5Å; R154-E158 PolarHBondContact O-N 2.84Å; Q155-E158 PolarHBondContact O-N 3.33Å; T156-E158 PolarHBondContact O-N 2.85Å; E158-T162 WeakPolarHBondContact O-CB 3.44Å; E158-T162 PolarHBondContact O-N 3.34Å; E158-T162 PolarHBondContact O-OG1 2.9Å; E158-A204 HydrophobicContact CG-CB 3.97Å; E158-L207 HydrophobicContact CB-CD1 3.8Å; E158-L207 HydrophobicContact CG-CD1 3.8Å
159I96.9Very high96.5Very high67 Ų6750.8 Ų50.834%0.34425%0.246SC..Hα-helixtrans-68.7-42.9178.7-65.2163.1000110.9R121 W133 Q155 T156 L157 T162 R163R121-I159 VanDerWaalsContact CZ-CD1 3.41Å; R121-I159 VanDerWaalsContact NH1-CD1 3.3Å; R121-I159 VanDerWaalsContact NH2-CD1 3.26Å; W133-I159 HydrophobicContact CH2-CG2 3.76Å; W133-I159 HydrophobicContact CZ2-CG2 3.62Å; Q155-I159 WeakPolarHBondContact O-CD1 3.2Å; Q155-I159 VanDerWaalsContact O-CG1 3.31Å; Q155-I159 WeakPolarHBondContact O-CG1 3.29Å; Q155-I159 PolarHBondContact O-N 3.02Å; Q155-I159 VanDerWaalsContact O-N 3.15Å; T156-I159 PolarHBondContact O-N 2.9Å; L157-I159 VanDerWaalsContact C-N 3.28Å; L157-I159 PolarHBondContact O-N 2.87Å; I159-T162 PolarHBondContact O-N 2.82Å; I159-R163 PolarHBondContact O-N 3.38Å
160I97.9Very high96.5Very high0 Ų051.3 Ų51.30%025%0.248CC..Hα-helixtrans-63.3-50.8176-65.2171.4000109.8C114 L117 W133 I136 L144 F149 I152 T156 L157 T162 R163 L166C114-I160 HydrophobicContact CB-CD1 4.3Å; L117-I160 HydrophobicContact CD2-CD1 4.09Å; L117-I160 HydrophobicContact CD2-CG1 3.93Å; W133-I160 HydrophobicContact CH2-CG1 3.77Å; W133-I160 HydrophobicContact CZ3-CG1 3.89Å; I136-I160 HydrophobicContact CG2-CG2 4.47Å; L144-I160 HydrophobicContact CD2-CG2 3.78Å; F149-I160 HydrophobicContact CD2-CD1 4.26Å; F149-I160 HydrophobicContact CE2-CB 4.47Å; F149-I160 HydrophobicContact CE2-CD1 4.06Å; F149-I160 HydrophobicContact CE2-CG2 4.05Å; I152-I160 HydrophobicContact CD1-CD1 3.78Å; T156-I160 HydrophobicContact CG2-CD1 4.05Å; T156-I160 HydrophobicContact CG2-CG1 4.49Å; T156-I160 WeakPolarHBondContact O-CG1 3.4Å; T156-I160 PolarHBondContact O-N 3.41Å; L157-I160 PolarHBondContact O-N 3.19Å; I160-T162 PolarHBondContact O-N 3.22Å; I160-R163 WeakPolarHBondContact O-CB 3.17Å; I160-R163 PolarHBondContact O-N 2.94Å; I160-L166 HydrophobicContact CG2-CD1 4.34Å; I160-L166 HydrophobicContact CG2-CD2 4.41Å; I160-L166 WeakPolarHBondContact O-CD1 3.34Å
161V97.3Very high96.5Very high0 Ų050.9 Ų50.90%025%0.247CC..Hα-helixtrans-64.9-25.4-176.9177.50000112.3L157 R163 V173 V177 L207 V208 R255L157-V161 HydrophobicContact CD1-CG2 3.95Å; L157-V161 HydrophobicContact CG-CG2 4.23Å; L157-V161 WeakPolarHBondContact O-CB 3.32Å; L157-V161 VanDerWaalsContact O-CG2 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.46Å; L157-V161 PolarHBondContact O-N 3.49Å; V161-R163 VanDerWaalsContact C-N 3.33Å; V161-V173 HydrophobicContact CG1-CG1 4.26Å; V161-V173 HydrophobicContact CG2-CG1 4.49Å; V161-V177 HydrophobicContact CG2-CG2 3.61Å; V161-L207 HydrophobicContact CB-CB 4.42Å; V161-L207 HydrophobicContact CG1-CB 3.69Å; V161-V208 HydrophobicContact CG1-CG2 3.93Å; V161-R255 PolarHBondContact O-NH1 3.08Å; V161-R255 PolarHBondContact O-NH2 3.01Å
162T96.7Very high96.6Very high74 Ų7445.6 Ų45.645%0.45422%0.222SC..Hα-helixtrans-77.5-20.4176.1-57.20000112.7E158 I159 I160 E164 R209E158-T162 WeakPolarHBondContact O-CB 3.44Å; E158-T162 PolarHBondContact O-N 3.34Å; E158-T162 PolarHBondContact O-OG1 2.9Å; I159-T162 PolarHBondContact O-N 2.82Å; I160-T162 PolarHBondContact O-N 3.22Å; T162-E164 PolarHBondContact O-N 3.46Å; T162-R209 PolarHBondContact O-NH2 3.01Å
163R96.8Very high96.7Very high61 Ų6145.4 Ų45.423%0.2322%0.222CC..  trans-64126.1-167.6-170.6165.1-173.898.64.6113.8W133 D137 I159 I160 V161 A165 L166 R255W133-R163 VanDerWaalsContact CE3-NH1 3.3Å; D137-R163 WeakPolarHBondContact OD1-CD 3.46Å; D137-R163 IonicContact OD1-CZ 2.68Å; D137-R163 IonicContact OD1-NE 3.44Å; D137-R163 PolarHBondContact OD1-NE 3.46Å; D137-R163 IonicContact OD2-CZ 2.62Å; D137-R163 IonicContact OD2-NE 3.11Å; D137-R163 PolarHBondContact OD2-NE 3.11Å; D137-R163 IonicContact OD2-NH2 2.9Å; D137-R163 PolarHBondContact OD2-NH2 3.02Å; I159-R163 PolarHBondContact O-N 3.38Å; I160-R163 WeakPolarHBondContact O-CB 3.17Å; I160-R163 PolarHBondContact O-N 2.94Å; V161-R163 VanDerWaalsContact C-N 3.33Å; R163-A165 VanDerWaalsContact C-N 3.35Å; R163-A165 HydrophobicContact CG-CB 4.39Å; R163-L166 HydrophobicContact CB-CD1 4.47Å; R163-L166 HydrophobicContact CB-CG 4.06Å; R163-L166 HydrophobicContact CG-CG 4.38Å; R163-R255 PolarHBondContact O-NH1 2.77Å
164E96.6Very high96.9Very high93 Ų9342.9 Ų42.944%0.43521%0.208SC..THydrogen-bonded Turntrans-72-27.2-180-72.8-63.6153.500113.8T162 R209 K256 G257T162-E164 PolarHBondContact O-N 3.46Å; E164-R209 VanDerWaalsContact CD-NH1 3.33Å; E164-R209 IonicContact OE1-CZ 3.9Å; E164-R209 VanDerWaalsContact OE1-CZ 3.25Å; E164-R209 IonicContact OE1-NH1 2.68Å; E164-R209 PolarHBondContact OE1-NH1 2.89Å; E164-R209 IonicContact OE1-NH2 2.91Å; E164-R209 PolarHBondContact OE1-NH2 3.32Å; E164-R209 IonicContact OE2-CZ 2.72Å; E164-R209 IonicContact OE2-NH1 3.18Å; E164-R209 PolarHBondContact OE2-NH1 3.36Å; E164-R209 IonicContact OE2-NH2 3.69Å; E164-R209 PolarHBondContact OE2-NH2 2.93Å; E164-K256 PolarHBondContact O-N 2.82Å; E164-K256 PolarHBondContact OE2-N 2.89Å; E164-G257 PolarHBondContact O-N 2.87Å
165A96.9Very high97Very high23 Ų2341 Ų4119%0.1921%0.205CC..THydrogen-bonded Turntrans-85.6-6-170.600000114.1D137 R163 N167 L258D137-A165 HydrophobicContact CB-CB 4.27Å; D137-A165 VanDerWaalsContact CG-CB 3.5Å; D137-A165 WeakPolarHBondContact OD2-CB 3.47Å; R163-A165 VanDerWaalsContact C-N 3.35Å; R163-A165 HydrophobicContact CG-CB 4.39Å; A165-N167 PolarHBondContact O-N 2.87Å; A165-L258 HydrophobicContact CB-CD2 4.15Å
166L96.6Very high97.1Very high2 Ų234.9 Ų34.91%0.0118%0.177CC..  trans-56.4114.7178.1-66.7179.4000110.7I136 A140 I160 R163 T168I136-L166 HydrophobicContact CG2-CD2 3.68Å; A140-L166 HydrophobicContact CB-CB 4.24Å; A140-L166 HydrophobicContact CB-CD2 4.15Å; I160-L166 HydrophobicContact CG2-CD1 4.34Å; I160-L166 HydrophobicContact CG2-CD2 4.41Å; I160-L166 WeakPolarHBondContact O-CD1 3.34Å; R163-L166 HydrophobicContact CB-CD1 4.47Å; R163-L166 HydrophobicContact CB-CG 4.06Å; R163-L166 HydrophobicContact CG-CG 4.38Å; L166-T168 VanDerWaalsContact C-N 3.27Å; L166-T168 HydrophobicContact CB-CG2 4.49Å; L166-T168 PolarHBondContact O-N 2.85Å
167N94.7Very high97.2Very high52 Ų5234.8 Ų34.828%0.27818%0.176SC..  trans-86.664.9-178.5-169.939.9000111.2D137 A165 L258D137-N167 WeakPolarHBondContact O-CB 3.21Å; D137-N167 PolarHBondContact O-N 2.9Å; A165-N167 PolarHBondContact O-N 2.87Å; N167-L258 HydrophobicContact CB-CD1 4.22Å; N167-L258 HydrophobicContact CB-CG 4.24Å
168T95.6Very high97.2Very high27 Ų2736.2 Ų36.217%0.16618%0.184CC..SBendtrans-151.7167.2177.8-169.70000112A140 L144 L166 V173A140-T168 HydrophobicContact CB-CG2 3.77Å; L144-T168 HydrophobicContact CD1-CG2 3.97Å; L166-T168 VanDerWaalsContact C-N 3.27Å; L166-T168 HydrophobicContact CB-CG2 4.49Å; L166-T168 PolarHBondContact O-N 2.85Å; T168-V173 HydrophobicContact CG2-CG2 3.85Å
169K95.9Very high97.2Very high140 Ų14038 Ų3861%0.60919%0.194SC*.  trans-73.6148.2174.6-62.4-178.8179.9-1780110.6A171 V172 V173K169-A171 PolarHBondContact O-N 3.27Å; K169-V172 HydrophobicContact CB-CG2 4.47Å; K169-V172 WeakPolarHBondContact O-CB 3.12Å; K169-V172 PolarHBondContact O-N 3.23Å; K169-V172 VanDerWaalsContact O-N 3.08Å; K169-V173 PolarHBondContact O-N 2.92Å
170E97.4Very high97.3Very high12 Ų1234.8 Ų34.86%0.05618%0.178CC..Hα-helixtrans-65.5-27.2179.7-161.166.3-160.200113V172 V173 F174 V208 R209 M213 R255E170-V172 VanDerWaalsContact C-N 3.27Å; E170-V172 PolarHBondContact O-N 2.88Å; E170-V173 WeakPolarHBondContact O-CB 3.46Å; E170-V173 PolarHBondContact O-N 3.14Å; E170-V173 VanDerWaalsContact O-N 3.17Å; E170-F174 PolarHBondContact O-N 3.15Å; E170-V208 HydrophobicContact CG-CG1 4.23Å; E170-V208 WeakPolarHBondContact OE1-CG1 3.31Å; E170-R209 HydrophobicContact CG-CB 3.94Å; E170-R209 PolarHBondContact OE1-N 2.92Å; E170-M213 HydrophobicContact CB-CE 4.46Å; E170-M213 HydrophobicContact CB-CG 4.02Å; E170-M213 HydrophobicContact CG-CE 4.17Å; E170-M213 HydrophobicContact CG-CG 4.42Å; E170-M213 WeakPolarHBondContact O-CE 3.23Å; E170-R255 IonicContact OE1-CZ 2.85Å; E170-R255 IonicContact OE1-NE 2.68Å; E170-R255 IonicContact OE1-NH2 3.03Å; E170-R255 PolarHBondContact OE1-NH2 2.88Å; E170-R255 IonicContact OE2-CZ 2.7Å; E170-R255 IonicContact OE2-NE 3.1Å; E170-R255 PolarHBondContact OE2-NE 3.4Å; E170-R255 IonicContact OE2-NH2 3.87Å; E170-R255 PolarHBondContact OE2-NH2 2.86Å
171A97.6Very high97.3Very high19 Ų1934.8 Ų34.816%0.15718%0.178CC..Hα-helixtrans-55.3-42.3172.100000112.1K169 F174 E175 E217K169-A171 PolarHBondContact O-N 3.27Å; A171-F174 PolarHBondContact O-N 3.39Å; A171-E175 WeakPolarHBondContact O-CG 3.19Å; A171-E175 PolarHBondContact O-N 3.41Å; A171-E217 HydrophobicContact CB-CB 4.27Å; A171-E217 HydrophobicContact CB-CG 4.13Å
172V97.8Very high97.4Very high9 Ų937.6 Ų37.66%0.05519%0.191CC..Hα-helixtrans-67.1-40.4177.6178.50000111.1E141 R145 K169 E170 F174 E175 A176E141-V172 HydrophobicContact CB-CG1 4.28Å; E141-V172 HydrophobicContact CG-CG1 3.99Å; E141-V172 HydrophobicContact CG-CG2 4.44Å; R145-V172 HydrophobicContact CG-CG1 4.5Å; K169-V172 HydrophobicContact CB-CG2 4.47Å; K169-V172 WeakPolarHBondContact O-CB 3.12Å; K169-V172 PolarHBondContact O-N 3.23Å; K169-V172 VanDerWaalsContact O-N 3.08Å; E170-V172 VanDerWaalsContact C-N 3.27Å; E170-V172 PolarHBondContact O-N 2.88Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 2.72Å; V172-E175 PolarHBondContact O-N 3.48Å; V172-A176 WeakPolarHBondContact O-CB 3.13Å; V172-A176 PolarHBondContact O-N 3.01Å
173V98.3Very high97.5Very high1 Ų135.2 Ų35.21%0.00618%0.179CC..Hα-helixtrans-60.9-44.9175.7-177.70000110.5L144 V161 T168 K169 E170 A176 V177L144-V173 HydrophobicContact CD1-CG2 3.96Å; V161-V173 HydrophobicContact CG1-CG1 4.26Å; V161-V173 HydrophobicContact CG2-CG1 4.49Å; T168-V173 HydrophobicContact CG2-CG2 3.85Å; K169-V173 PolarHBondContact O-N 2.92Å; E170-V173 WeakPolarHBondContact O-CB 3.46Å; E170-V173 PolarHBondContact O-N 3.14Å; E170-V173 VanDerWaalsContact O-N 3.17Å; V173-A176 PolarHBondContact O-N 3.32Å; V173-V177 VanDerWaalsContact O-CG2 3.25Å; V173-V177 WeakPolarHBondContact O-CG2 3.35Å; V173-V177 PolarHBondContact O-N 3.4Å
174F98.3Very high97.5Very high5 Ų533.9 Ų33.92%0.02218%0.176CC..Hα-helixtrans-62.3-48.1178.4177.6-103.8000112.2E170 A171 V172 A176 V177 L178 L205 V208 I210 M213 A222 I227E170-F174 PolarHBondContact O-N 3.15Å; A171-F174 PolarHBondContact O-N 3.39Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 2.72Å; F174-A176 VanDerWaalsContact C-N 3.34Å; F174-A176 PolarHBondContact O-N 3.02Å; F174-V177 PolarHBondContact O-N 3.43Å; F174-L178 HydrophobicContact CD1-CD1 4.11Å; F174-L178 HydrophobicContact CD1-CG 4.5Å; F174-L178 HydrophobicContact CE1-CD1 3.48Å; F174-L178 VanDerWaalsContact CE1-CD1 3.48Å; F174-L178 HydrophobicContact CE1-CG 4.12Å; F174-L178 HydrophobicContact CE2-CD2 4.39Å; F174-L178 HydrophobicContact CE2-CG 4.45Å; F174-L178 HydrophobicContact CZ-CD1 3.74Å; F174-L178 HydrophobicContact CZ-CD2 4.16Å; F174-L178 HydrophobicContact CZ-CG 4.08Å; F174-L178 WeakPolarHBondContact O-CG 3.46Å; F174-L178 PolarHBondContact O-N 3.2Å; F174-L205 HydrophobicContact CE2-CD1 4.5Å; F174-V208 HydrophobicContact CB-CG1 3.96Å; F174-V208 HydrophobicContact CD2-CG1 4.19Å; F174-I210 HydrophobicContact CD2-CD1 4.05Å; F174-I210 HydrophobicContact CD2-CG1 4.22Å; F174-I210 HydrophobicContact CE2-CD1 3.98Å; F174-M213 HydrophobicContact CB-CE 3.35Å; F174-M213 HydrophobicContact CD1-CE 4.39Å; F174-M213 HydrophobicContact CD2-CE 4.43Å; F174-M213 HydrophobicContact CG-CE 3.83Å; F174-A222 HydrophobicContact CD1-CB 4.24Å; F174-A222 VanDerWaalsContact CE1-CA 3.47Å; F174-A222 HydrophobicContact CE1-CB 3.72Å; F174-A222 HydrophobicContact CE2-CB 4.04Å; F174-A222 HydrophobicContact CZ-CB 3.62Å; F174-I227 HydrophobicContact CE2-CG2 4.08Å; F174-I227 HydrophobicContact CZ-CG2 3.98Å
175E98.1Very high97.6Very high98 Ų9829.5 Ų29.546%0.45816%0.155SC..Hα-helixtrans-58.6-44.6176.1-74.1-178.4174.600112.1A171 V172 V177 L178 N179A171-E175 WeakPolarHBondContact O-CG 3.19Å; A171-E175 PolarHBondContact O-N 3.41Å; V172-E175 PolarHBondContact O-N 3.48Å; E175-V177 VanDerWaalsContact C-N 3.34Å; E175-V177 PolarHBondContact O-N 3Å; E175-L178 WeakPolarHBondContact O-CB 3.07Å; E175-L178 PolarHBondContact O-N 3.02Å; E175-L178 VanDerWaalsContact O-N 3.15Å; E175-N179 PolarHBondContact O-N 2.88Å; E175-N179 PolarHBondContact O-ND2 3.23Å
176A98.3Very high97.6Very high3 Ų334.6 Ų34.63%0.02517%0.173CC..Hα-helixtrans-60.1-43.4177.300000112.1L144 F149 V172 V173 F174 L178 N179 W180L144-A176 HydrophobicContact CB-CB 3.72Å; L144-A176 VanDerWaalsContact O-CB 3.31Å; L144-A176 WeakPolarHBondContact O-CB 3.39Å; F149-A176 HydrophobicContact CD1-CB 4.14Å; F149-A176 HydrophobicContact CE1-CB 3.76Å; F149-A176 WeakPolarHBondContact CE1-O 3.49Å; F149-A176 HydrophobicContact CZ-CB 4.32Å; V172-A176 WeakPolarHBondContact O-CB 3.13Å; V172-A176 PolarHBondContact O-N 3.01Å; V173-A176 PolarHBondContact O-N 3.32Å; F174-A176 VanDerWaalsContact C-N 3.34Å; F174-A176 PolarHBondContact O-N 3.02Å; A176-L178 VanDerWaalsContact C-N 3.31Å; A176-L178 PolarHBondContact O-N 3.32Å; A176-N179 PolarHBondContact O-N 3.3Å; A176-W180 PolarHBondContact O-N 3.03Å
177V98.4Very high97.6Very high0 Ų040.2 Ų40.20%019%0.194CC..Hα-helixtrans-62.3-37.7176.1170.20000111.5L157 V161 V173 F174 E175 A181 L201 V208L157-V177 HydrophobicContact CD1-CG2 4.34Å; V161-V177 HydrophobicContact CG2-CG2 3.61Å; V173-V177 VanDerWaalsContact O-CG2 3.25Å; V173-V177 WeakPolarHBondContact O-CG2 3.35Å; V173-V177 PolarHBondContact O-N 3.4Å; F174-V177 PolarHBondContact O-N 3.43Å; E175-V177 VanDerWaalsContact C-N 3.34Å; E175-V177 PolarHBondContact O-N 3Å; V177-A181 WeakPolarHBondContact O-CB 3.46Å; V177-A181 PolarHBondContact O-N 3.46Å; V177-L201 HydrophobicContact CG1-CD1 3.81Å; V177-L201 HydrophobicContact CG1-CD2 3.36Å; V177-L201 HydrophobicContact CG1-CG 4.24Å; V177-V208 HydrophobicContact CB-CG2 4.34Å; V177-V208 HydrophobicContact CG1-CG2 4.26Å; V177-V208 HydrophobicContact CG2-CG2 3.94Å
178L98Very high97.7Very high30 Ų3042.6 Ų42.616%0.15720%0.203CC..Hα-helixtrans-66.8-38.1174.4-67.4-174.3000113F174 E175 A176 A181 E182 I227F174-L178 HydrophobicContact CD1-CD1 4.11Å; F174-L178 HydrophobicContact CD1-CG 4.5Å; F174-L178 HydrophobicContact CE1-CD1 3.48Å; F174-L178 VanDerWaalsContact CE1-CD1 3.48Å; F174-L178 HydrophobicContact CE1-CG 4.12Å; F174-L178 HydrophobicContact CE2-CD2 4.39Å; F174-L178 HydrophobicContact CE2-CG 4.45Å; F174-L178 HydrophobicContact CZ-CD1 3.74Å; F174-L178 HydrophobicContact CZ-CD2 4.16Å; F174-L178 HydrophobicContact CZ-CG 4.08Å; F174-L178 WeakPolarHBondContact O-CG 3.46Å; F174-L178 PolarHBondContact O-N 3.2Å; E175-L178 WeakPolarHBondContact O-CB 3.07Å; E175-L178 PolarHBondContact O-N 3.02Å; E175-L178 VanDerWaalsContact O-N 3.15Å; A176-L178 VanDerWaalsContact C-N 3.31Å; A176-L178 PolarHBondContact O-N 3.32Å; L178-A181 PolarHBondContact O-N 2.9Å; L178-E182 PolarHBondContact O-N 2.85Å; L178-I227 HydrophobicContact CD2-CB 4.41Å; L178-I227 HydrophobicContact CD2-CD1 3.3Å; L178-I227 HydrophobicContact CD2-CG1 4.43Å; L178-I227 HydrophobicContact CD2-CG2 4.3Å
179N98.1Very high97.8Very high81 Ų8144.4 Ų44.443%0.43323%0.228SC..Hα-helixtrans-67.8-43176.7-68.4-20.9000111.1E175 A176 A181 E182 A183E175-N179 PolarHBondContact O-N 2.88Å; E175-N179 PolarHBondContact O-ND2 3.23Å; A176-N179 PolarHBondContact O-N 3.3Å; N179-A181 VanDerWaalsContact C-N 3.33Å; N179-A181 PolarHBondContact O-N 3.41Å; N179-E182 WeakPolarHBondContact O-CB 3.35Å; N179-E182 PolarHBondContact O-N 3.36Å; N179-A183 PolarHBondContact O-N 3.08Å
180W98.6Very high97.9Very high1 Ų140.4 Ų40.40%0.00421%0.213CC..Hα-helixtrans-59-44.9172-178.594.1000111.4F149 I152 R154 L157 A176 E182 A183 E184 L201F149-W180 HydrophobicContact CD1-CB 4.32Å; F149-W180 HydrophobicContact CE1-CB 3.94Å; I152-W180 PolarHBondContact O-NE1 3.33Å; R154-W180 HydrophobicContact CB-CH2 3.92Å; R154-W180 HydrophobicContact CB-CZ2 4.02Å; R154-W180 HydrophobicContact CG-CH2 4.1Å; L157-W180 HydrophobicContact CD1-CB 4.34Å; L157-W180 HydrophobicContact CD1-CD2 4.27Å; L157-W180 HydrophobicContact CD1-CG 4.02Å; L157-W180 HydrophobicContact CD2-CD2 3.58Å; L157-W180 HydrophobicContact CD2-CE3 3.48Å; L157-W180 VanDerWaalsContact CD2-CE3 3.48Å; L157-W180 HydrophobicContact CD2-CG 4.21Å; L157-W180 HydrophobicContact CD2-CH2 4.03Å; L157-W180 HydrophobicContact CD2-CZ2 4.1Å; L157-W180 HydrophobicContact CD2-CZ3 3.73Å; L157-W180 HydrophobicContact CG-CD2 4.38Å; A176-W180 PolarHBondContact O-N 3.03Å; W180-E182 VanDerWaalsContact C-N 3.27Å; W180-E182 PolarHBondContact O-N 3.04Å; W180-A183 PolarHBondContact O-N 3.44Å; W180-E184 HydrophobicContact CE3-CB 4.21Å; W180-E184 HydrophobicContact CH2-CB 4.03Å; W180-E184 HydrophobicContact CH2-CG 3.78Å; W180-E184 HydrophobicContact CZ2-CB 4.36Å; W180-E184 HydrophobicContact CZ2-CG 4.29Å; W180-E184 HydrophobicContact CZ3-CB 3.95Å; W180-E184 HydrophobicContact CZ3-CG 4.05Å; W180-E184 WeakPolarHBondContact O-CB 3.35Å; W180-E184 PolarHBondContact O-N 3Å; W180-L201 HydrophobicContact CE3-CD2 3.72Å; W180-L201 HydrophobicContact CZ3-CD2 3.92Å
181A98.4Very high97.9Very high0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-61.8-36.5178.800000112.4V177 L178 N179 E184 C185 K197 V200 L201V177-A181 WeakPolarHBondContact O-CB 3.46Å; V177-A181 PolarHBondContact O-N 3.46Å; L178-A181 PolarHBondContact O-N 2.9Å; N179-A181 VanDerWaalsContact C-N 3.33Å; N179-A181 PolarHBondContact O-N 3.41Å; A181-E184 PolarHBondContact O-N 3.39Å; A181-C185 PolarHBondContact O-N 2.96Å; A181-C185 PolarHBondContact O-SG 2.82Å; A181-K197 HydrophobicContact CB-CB 3.89Å; A181-K197 HydrophobicContact CB-CD 4.46Å; A181-K197 HydrophobicContact CB-CG 4.06Å; A181-V200 HydrophobicContact CB-CG2 4.02Å; A181-L201 HydrophobicContact CB-CD1 3.84Å; A181-L201 HydrophobicContact CB-CD2 3.88Å; A181-L201 HydrophobicContact CB-CG 3.6Å
182E98.3Very high97.9Very high58 Ų5846.1 Ų46.127%0.27125%0.248SC..Hα-helixtrans-64.8-47.6174.1-178.4163.7152.900112.5L178 N179 W180 E184 C185 K186 V192 K197L178-E182 PolarHBondContact O-N 2.85Å; N179-E182 WeakPolarHBondContact O-CB 3.35Å; N179-E182 PolarHBondContact O-N 3.36Å; W180-E182 VanDerWaalsContact C-N 3.27Å; W180-E182 PolarHBondContact O-N 3.04Å; E182-E184 VanDerWaalsContact C-N 3.26Å; E182-E184 PolarHBondContact O-N 3.1Å; E182-C185 PolarHBondContact O-N 2.99Å; E182-K186 WeakPolarHBondContact O-CG 3.13Å; E182-K186 PolarHBondContact O-N 3.42Å; E182-K186 VanDerWaalsContact O-N 3.07Å; E182-K186 WeakPolarHBondContact OE1-CE 3.5Å; E182-K186 IonicContact OE1-NZ 2.78Å; E182-K186 PolarHBondContact OE1-NZ 2.89Å; E182-V192 HydrophobicContact CB-CG1 4.33Å; E182-V192 HydrophobicContact CG-CB 4.49Å; E182-V192 HydrophobicContact CG-CG1 3.66Å; E182-V192 HydrophobicContact CG-CG2 3.94Å; E182-K197 IonicContact OE2-NZ 2.74Å; E182-K197 PolarHBondContact OE2-NZ 2.98Å
183A98.1Very high97.9Very high24 Ų2448.3 Ų48.320%0.19826%0.261CS..Hα-helixtrans-60.1-40.3175.900000110.9C150 N179 W180 K186 R187C150-A183 HydrophobicContact CB-CB 3.81Å; N179-A183 PolarHBondContact O-N 3.08Å; W180-A183 PolarHBondContact O-N 3.44Å; A183-K186 WeakPolarHBondContact O-CB 3.14Å; A183-K186 PolarHBondContact O-N 3.39Å; A183-R187 PolarHBondContact O-N 3.06Å
184E98.1Very high97.8Very high34 Ų3450.7 Ų50.716%0.15928%0.277CS..Hα-helixtrans-67.4-40.4177.6-17359.6-163.600112.8W180 A181 E182 K186 R187 Q188 V200W180-E184 HydrophobicContact CE3-CB 4.21Å; W180-E184 HydrophobicContact CH2-CB 4.03Å; W180-E184 HydrophobicContact CH2-CG 3.78Å; W180-E184 HydrophobicContact CZ2-CB 4.36Å; W180-E184 HydrophobicContact CZ2-CG 4.29Å; W180-E184 HydrophobicContact CZ3-CB 3.95Å; W180-E184 HydrophobicContact CZ3-CG 4.05Å; W180-E184 WeakPolarHBondContact O-CB 3.35Å; W180-E184 PolarHBondContact O-N 3Å; A181-E184 PolarHBondContact O-N 3.39Å; E182-E184 VanDerWaalsContact C-N 3.26Å; E182-E184 PolarHBondContact O-N 3.1Å; E184-K186 VanDerWaalsContact C-N 3.29Å; E184-K186 PolarHBondContact O-N 3.15Å; E184-R187 PolarHBondContact O-N 2.87Å; E184-R187 IonicContact OE2-CZ 3.8Å; E184-R187 IonicContact OE2-NE 3.87Å; E184-R187 PolarHBondContact OE2-NE 3.21Å; E184-R187 IonicContact OE2-NH2 3.95Å; E184-R187 PolarHBondContact OE2-NH2 3.2Å; E184-Q188 WeakPolarHBondContact O-CG 3.29Å; E184-Q188 PolarHBondContact O-N 3.03Å; E184-Q188 PolarHBondContact OE1-NE2 2.65Å; E184-V200 HydrophobicContact CB-CB 4.34Å; E184-V200 HydrophobicContact CB-CG2 4.12Å; E184-V200 HydrophobicContact CG-CB 3.81Å; E184-V200 HydrophobicContact CG-CG1 4.2Å; E184-V200 HydrophobicContact CG-CG2 4.15Å
185C98.1Very high97.8Very high0 Ų060.6 Ų60.60%031%0.314CS..Hα-helixtrans-57-45170.7-73.80000111.1A181 E182 Q188 G189 L190 V192A181-C185 PolarHBondContact O-N 2.96Å; A181-C185 PolarHBondContact O-SG 2.82Å; E182-C185 PolarHBondContact O-N 2.99Å; C185-Q188 PolarHBondContact O-N 2.99Å; C185-G189 PolarHBondContact O-N 2.74Å; C185-G189 VanDerWaalsContact O-N 3.11Å; C185-L190 HydrophobicContact CB-CB 4.24Å; C185-L190 PolarHBondContact O-N 2.89Å; C185-V192 HydrophobicContact CB-CG2 4.33Å
186K97.7Very high97.7Very high130 Ų13057.6 Ų57.657%0.56530%0.301SS*.Hα-helixtrans-62.6-44.2177.6-68170.5-172.6166.60111.5E182 A183 E184 Q188 G189 V192E182-K186 WeakPolarHBondContact O-CG 3.13Å; E182-K186 PolarHBondContact O-N 3.42Å; E182-K186 VanDerWaalsContact O-N 3.07Å; E182-K186 WeakPolarHBondContact OE1-CE 3.5Å; E182-K186 IonicContact OE1-NZ 2.78Å; E182-K186 PolarHBondContact OE1-NZ 2.89Å; A183-K186 WeakPolarHBondContact O-CB 3.14Å; A183-K186 PolarHBondContact O-N 3.39Å; E184-K186 VanDerWaalsContact C-N 3.29Å; E184-K186 PolarHBondContact O-N 3.15Å; K186-Q188 VanDerWaalsContact C-N 3.3Å; K186-Q188 PolarHBondContact O-N 2.87Å; K186-G189 PolarHBondContact O-N 3.19Å; K186-G189 VanDerWaalsContact O-N 3.08Å; K186-V192 HydrophobicContact CG-CG2 4.13Å
187R96.7Very high97.7Very high120 Ų12059 Ų5945%0.45331%0.307SS..Hα-helixtrans-59.5-38176.1-77.8-167.7-69-143.5-1.4112.9C150 E151 I152 A183 E184 G189C150-R187 PolarHBondContact O-NH1 2.8Å; C150-R187 PolarHBondContact O-NH2 2.9Å; E151-R187 VanDerWaalsContact C-NH1 3.26Å; E151-R187 PolarHBondContact O-NH1 3.42Å; I152-R187 PolarHBondContact O-NH2 3.34Å; I152-R187 VanDerWaalsContact O-NH2 3.17Å; A183-R187 PolarHBondContact O-N 3.06Å; E184-R187 PolarHBondContact O-N 2.87Å; E184-R187 IonicContact OE2-CZ 3.8Å; E184-R187 IonicContact OE2-NE 3.87Å; E184-R187 PolarHBondContact OE2-NE 3.21Å; E184-R187 IonicContact OE2-NH2 3.95Å; E184-R187 PolarHBondContact OE2-NH2 3.2Å; R187-G189 VanDerWaalsContact C-N 3.31Å
188Q96.9Very high97.7Very high102 Ų10261.4 Ų61.448%0.47732%0.316SS..THydrogen-bonded Turntrans-85.20.9177.7-63.6-172.722.200113.9E184 C185 K186 L190E184-Q188 WeakPolarHBondContact O-CG 3.29Å; E184-Q188 PolarHBondContact O-N 3.03Å; E184-Q188 PolarHBondContact OE1-NE2 2.65Å; C185-Q188 PolarHBondContact O-N 2.99Å; K186-Q188 VanDerWaalsContact C-N 3.3Å; K186-Q188 PolarHBondContact O-N 2.87Å; Q188-L190 VanDerWaalsContact C-N 3.27Å; Q188-L190 HydrophobicContact CB-CD1 4.07Å; Q188-L190 HydrophobicContact CB-CG 4Å; Q188-L190 PolarHBondContact O-N 3.41Å
189G96.9Very high97.7Very high66 Ų6666.5 Ų66.568%0.6834%0.339SS*.THydrogen-bonded Turntrans68.722.3-17700000114.3C185 K186 R187C185-G189 PolarHBondContact O-N 2.74Å; C185-G189 VanDerWaalsContact O-N 3.11Å; K186-G189 PolarHBondContact O-N 3.19Å; K186-G189 VanDerWaalsContact O-N 3.08Å; R187-G189 VanDerWaalsContact C-N 3.31Å
190L97.4Very high97.6Very high55 Ų5563 Ų6329%0.28832%0.321SS..  trans-91.3142.1179.5-61.6175.3000111.2C185 Q188 V192 V200C185-L190 HydrophobicContact CB-CB 4.24Å; C185-L190 PolarHBondContact O-N 2.89Å; Q188-L190 VanDerWaalsContact C-N 3.27Å; Q188-L190 HydrophobicContact CB-CD1 4.07Å; Q188-L190 HydrophobicContact CB-CG 4Å; Q188-L190 PolarHBondContact O-N 3.41Å; L190-V192 PolarHBondContact O-N 3.35Å; L190-V200 HydrophobicContact CD1-CG1 4Å
191P97.7Very high97.6Very high90 Ų9063 Ų6358%0.58432%0.32SS*.  trans-58.1136.1169.9-24.233.7000111.5T193 N196P191-T193 HydrophobicContact CB-CG2 4.27Å; P191-T193 PolarHBondContact O-N 3.31Å; P191-N196 WeakPolarHBondContact O-CB 3.42Å; P191-N196 PolarHBondContact O-ND2 2.92Å
192V97.8Very high97.5Very high62 Ų6264.3 Ų64.338%0.37633%0.334SS..  trans-73.793.2178.6-177.20000109.3E182 C185 K186 L190E182-V192 HydrophobicContact CB-CG1 4.33Å; E182-V192 HydrophobicContact CG-CB 4.49Å; E182-V192 HydrophobicContact CG-CG1 3.66Å; E182-V192 HydrophobicContact CG-CG2 3.94Å; C185-V192 HydrophobicContact CB-CG2 4.33Å; K186-V192 HydrophobicContact CG-CG2 4.13Å; L190-V192 PolarHBondContact O-N 3.35Å
193T97.6Very high97.3Very high54 Ų5470.1 Ų70.133%0.33135%0.353SS..  trans-129.9154.4177.564.10000109.9P191 R195 N196 K197P191-T193 HydrophobicContact CB-CG2 4.27Å; P191-T193 PolarHBondContact O-N 3.31Å; T193-R195 PolarHBondContact O-N 2.68Å; T193-N196 PolarHBondContact O-N 3.17Å; T193-N196 WeakPolarHBondContact OG1-CB 3.34Å; T193-N196 PolarHBondContact OG1-N 3.28Å; T193-N196 PolarHBondContact OG1-ND2 3.29Å; T193-K197 PolarHBondContact O-N 2.78Å
194P96.8Very high97.3Very high52 Ų5269 Ų6934%0.33834%0.344SS..Hα-helixtrans-54.8-38.8178.7-26.634.2000113.2K197 R198 D226P194-K197 PolarHBondContact O-N 3.31Å; P194-R198 WeakPolarHBondContact O-CB 3.34Å; P194-R198 PolarHBondContact O-N 3.38Å; P194-D226 HydrophobicContact CB-CB 3.85Å; P194-D226 WeakPolarHBondContact CB-O 3.37Å; P194-D226 HydrophobicContact CG-CB 3.78Å
195R97Very high97.2Very high212 Ų21267.4 Ų67.480%0.834%0.337SS*.Hα-helixtrans-61.3-45.8175.4-176.9179.3175.7-178.9-1112.5T193 R198 H199T193-R195 PolarHBondContact O-N 2.68Å; R195-R198 PolarHBondContact O-N 2.96Å; R195-H199 WeakPolarHBondContact O-CB 3.36Å; R195-H199 PolarHBondContact O-N 2.89Å
196N97.8Very high97.2Very high35 Ų3571 Ų7119%0.18735%0.351CS..Hα-helixtrans-71.2-39.5179.4-70.3-13.4000111.5P191 T193 R198 H199 V200P191-N196 WeakPolarHBondContact O-CB 3.42Å; P191-N196 PolarHBondContact O-ND2 2.92Å; T193-N196 PolarHBondContact O-N 3.17Å; T193-N196 WeakPolarHBondContact OG1-CB 3.34Å; T193-N196 PolarHBondContact OG1-N 3.28Å; T193-N196 PolarHBondContact OG1-ND2 3.29Å; N196-R198 VanDerWaalsContact C-N 3.34Å; N196-R198 PolarHBondContact O-N 2.84Å; N196-H199 WeakPolarHBondContact O-CB 3.03Å; N196-H199 PolarHBondContact O-N 2.95Å; N196-H199 VanDerWaalsContact O-N 3.13Å; N196-V200 WeakPolarHBondContact O-CG2 3.19Å; N196-V200 PolarHBondContact O-N 3.37Å
197K98.1Very high97.2Very high34 Ų3466.3 Ų66.315%0.14833%0.332CS..Hα-helixtrans-57-47.8172.5-71-169.6-178.5-164.20110.8A181 E182 T193 P194 H199 V200 L201 I227A181-K197 HydrophobicContact CB-CB 3.89Å; A181-K197 HydrophobicContact CB-CD 4.46Å; A181-K197 HydrophobicContact CB-CG 4.06Å; E182-K197 IonicContact OE2-NZ 2.74Å; E182-K197 PolarHBondContact OE2-NZ 2.98Å; T193-K197 PolarHBondContact O-N 2.78Å; P194-K197 PolarHBondContact O-N 3.31Å; K197-H199 VanDerWaalsContact C-N 3.32Å; K197-H199 PolarHBondContact O-N 2.88Å; K197-V200 VanDerWaalsContact O-CG2 3.3Å; K197-V200 WeakPolarHBondContact O-CG2 2.96Å; K197-V200 PolarHBondContact O-N 3.12Å; K197-L201 WeakPolarHBondContact O-CB 3.38Å; K197-L201 VanDerWaalsContact O-CG 3.24Å; K197-L201 WeakPolarHBondContact O-CG 3.45Å; K197-L201 PolarHBondContact O-N 3.22Å; K197-L201 VanDerWaalsContact O-N 3.08Å; K197-I227 HydrophobicContact CB-CD1 3.92Å
198R97.6Very high97.3Very high50 Ų5060.6 Ų60.619%0.18931%0.31CS..Hα-helixtrans-60.1-41.6175.2-170-179.5-179.198.9-0.9112.1P194 R195 N196 G202 L205 Y206 I227 E232P194-R198 WeakPolarHBondContact O-CB 3.34Å; P194-R198 PolarHBondContact O-N 3.38Å; R195-R198 PolarHBondContact O-N 2.96Å; N196-R198 VanDerWaalsContact C-N 3.34Å; N196-R198 PolarHBondContact O-N 2.84Å; R198-G202 PolarHBondContact O-N 3.22Å; R198-L205 HydrophobicContact CG-CD2 3.99Å; R198-Y206 PolarHBondContact NH2-OH 2.91Å; R198-I227 HydrophobicContact CB-CG1 3.86Å; R198-I227 WeakPolarHBondContact CD-O 3.48Å; R198-I227 HydrophobicContact CG-CG1 4.45Å; R198-I227 PolarHBondContact NH1-O 3.08Å; R198-E232 IonicContact CZ-OE1 3.66Å; R198-E232 IonicContact CZ-OE2 3.37Å; R198-E232 IonicContact NH1-OE1 3.67Å; R198-E232 IonicContact NH1-OE2 2.73Å; R198-E232 PolarHBondContact NH1-OE2 3.44Å; R198-E232 VanDerWaalsContact NH2-CD 3.27Å; R198-E232 IonicContact NH2-OE1 2.69Å; R198-E232 PolarHBondContact NH2-OE1 2.83Å; R198-E232 IonicContact NH2-OE2 3.12Å; R198-E232 PolarHBondContact NH2-OE2 3.32Å; R198-E232 VanDerWaalsContact NH2-OE2 3.12Å
199H97.1Very high97.3Very high136 Ų13656.3 Ų56.363%0.6329%0.29SS*.Hα-helixtrans-62.6-49.7179.5178.868.3000112.5R195 N196 K197 L201 G202R195-H199 WeakPolarHBondContact O-CB 3.36Å; R195-H199 PolarHBondContact O-N 2.89Å; N196-H199 WeakPolarHBondContact O-CB 3.03Å; N196-H199 PolarHBondContact O-N 2.95Å; N196-H199 VanDerWaalsContact O-N 3.13Å; K197-H199 VanDerWaalsContact C-N 3.32Å; K197-H199 PolarHBondContact O-N 2.88Å; H199-L201 VanDerWaalsContact C-N 3.34Å; H199-L201 PolarHBondContact O-N 2.88Å; H199-G202 PolarHBondContact O-N 3.4Å
200V97.8Very high97.4Very high9 Ų953.1 Ų53.16%0.05526%0.257CS..Hα-helixtrans-68.6-33.4-178.7-60.10000112.4A181 E184 L190 N196 K197A181-V200 HydrophobicContact CB-CG2 4.02Å; E184-V200 HydrophobicContact CB-CB 4.34Å; E184-V200 HydrophobicContact CB-CG2 4.12Å; E184-V200 HydrophobicContact CG-CB 3.81Å; E184-V200 HydrophobicContact CG-CG1 4.2Å; E184-V200 HydrophobicContact CG-CG2 4.15Å; L190-V200 HydrophobicContact CD1-CG1 4Å; N196-V200 WeakPolarHBondContact O-CG2 3.19Å; N196-V200 PolarHBondContact O-N 3.37Å; K197-V200 VanDerWaalsContact O-CG2 3.3Å; K197-V200 WeakPolarHBondContact O-CG2 2.96Å; K197-V200 PolarHBondContact O-N 3.12Å
201L97.3Very high97.4Very high0 Ų050.8 Ų50.80%025%0.245CC..Hα-helixtrans-65.8-41.3173.9-74.8174.5000112.4L157 V177 W180 A181 K197 H199 R203 A204 L205 I227L157-L201 HydrophobicContact CD2-CD2 4.19Å; V177-L201 HydrophobicContact CG1-CD1 3.81Å; V177-L201 HydrophobicContact CG1-CD2 3.36Å; V177-L201 HydrophobicContact CG1-CG 4.24Å; W180-L201 HydrophobicContact CE3-CD2 3.72Å; W180-L201 HydrophobicContact CZ3-CD2 3.92Å; A181-L201 HydrophobicContact CB-CD1 3.84Å; A181-L201 HydrophobicContact CB-CD2 3.88Å; A181-L201 HydrophobicContact CB-CG 3.6Å; K197-L201 WeakPolarHBondContact O-CB 3.38Å; K197-L201 VanDerWaalsContact O-CG 3.24Å; K197-L201 WeakPolarHBondContact O-CG 3.45Å; K197-L201 PolarHBondContact O-N 3.22Å; K197-L201 VanDerWaalsContact O-N 3.08Å; H199-L201 VanDerWaalsContact C-N 3.34Å; H199-L201 PolarHBondContact O-N 2.88Å; L201-R203 PolarHBondContact O-N 2.98Å; L201-R203 VanDerWaalsContact O-N 3.11Å; L201-A204 HydrophobicContact CD2-CB 4.46Å; L201-A204 VanDerWaalsContact O-CB 3.29Å; L201-A204 WeakPolarHBondContact O-CB 3.22Å; L201-A204 PolarHBondContact O-N 3.16Å; L201-L205 HydrophobicContact CB-CB 4.21Å; L201-L205 HydrophobicContact CD1-CB 4.4Å; L201-L205 HydrophobicContact CD1-CD1 4.42Å; L201-I227 HydrophobicContact CD1-CD1 3.6Å
202G96.1Very high97.4Very high28 Ų2847.3 Ų47.329%0.28922%0.222SC..G310 helixtrans51.2-119.3-178.200000112R198 H199 A204R198-G202 PolarHBondContact O-N 3.22Å; H199-G202 PolarHBondContact O-N 3.4Å; G202-A204 VanDerWaalsContact C-N 3.31Å; G202-A204 PolarHBondContact O-N 2.53Å
203R94.9Very high97.4Very high179 Ų17944.8 Ų44.868%0.67521%0.207SC*.G310 helixtrans-67.1-29.2-179.6-174177.9173.5-168.2-2.9113.2L201 L205 Y206L201-R203 PolarHBondContact O-N 2.98Å; L201-R203 VanDerWaalsContact O-N 3.11Å; R203-L205 PolarHBondContact O-N 3.39Å; R203-Y206 PolarHBondContact O-N 3.21Å
204A97Very high97.3Very high0 Ų045.5 Ų45.50%021%0.211CC..G310 helixtrans-59.7-30.7-175.500000112.7L157 E158 L201 G202 Y206 L207L157-A204 HydrophobicContact CD2-CB 3.78Å; L157-A204 HydrophobicContact CG-CB 4.5Å; E158-A204 HydrophobicContact CG-CB 3.97Å; L201-A204 HydrophobicContact CD2-CB 4.46Å; L201-A204 VanDerWaalsContact O-CB 3.29Å; L201-A204 WeakPolarHBondContact O-CB 3.22Å; L201-A204 PolarHBondContact O-N 3.16Å; G202-A204 VanDerWaalsContact C-N 3.31Å; G202-A204 PolarHBondContact O-N 2.53Å; A204-Y206 VanDerWaalsContact C-N 3.29Å; A204-Y206 PolarHBondContact O-N 3.46Å; A204-L207 WeakPolarHBondContact O-CB 3.48Å; A204-L207 PolarHBondContact O-N 2.94Å; A204-L207 VanDerWaalsContact O-N 3.13Å
205L97.8Very high97.3Very high1 Ų146.5 Ų46.51%0.00521%0.213CC..G310 helixtrans-57.7-42175.117860000112.1F174 R198 L201 R203 L207 V208 I227 F250F174-L205 HydrophobicContact CE2-CD1 4.5Å; R198-L205 HydrophobicContact CG-CD2 3.99Å; L201-L205 HydrophobicContact CB-CB 4.21Å; L201-L205 HydrophobicContact CD1-CB 4.4Å; L201-L205 HydrophobicContact CD1-CD1 4.42Å; R203-L205 PolarHBondContact O-N 3.39Å; L205-L207 PolarHBondContact O-N 3.48Å; L205-V208 WeakPolarHBondContact O-CB 3.45Å; L205-V208 PolarHBondContact O-N 2.8Å; L205-I227 HydrophobicContact CD1-CG2 4.27Å; L205-F250 HydrophobicContact CG-CE1 4.45Å
206Y97.6Very high97.3Very high77 Ų7743.1 Ų43.130%0.30221%0.206SC..G310 helixtrans-80.2-0.2-178.2-53.9-83.5000113.3R198 R203 A204 E232 D249 F250 P251R198-Y206 PolarHBondContact NH2-OH 2.91Å; R203-Y206 PolarHBondContact O-N 3.21Å; A204-Y206 VanDerWaalsContact C-N 3.29Å; A204-Y206 PolarHBondContact O-N 3.46Å; Y206-E232 WeakPolarHBondContact CE1-OE1 3.45Å; Y206-D249 HydrophobicContact CD1-CB 4.23Å; Y206-F250 AromaticContact CD1-CE1 3.99Å; Y206-F250 HydrophobicContact CD1-CE1 3.99Å; Y206-F250 HydrophobicContact CD1-CE2 4.36Å; Y206-F250 AromaticContact CD1-CZ 3.9Å; Y206-F250 HydrophobicContact CD1-CZ 3.9Å; Y206-F250 HydrophobicContact CE1-CZ 4.21Å; Y206-P251 VanDerWaalsContact O-CD 3.25Å; Y206-P251 WeakPolarHBondContact O-CD 3.48Å
207L98.1Very high97.3Very high31 Ų3143.9 Ų43.916%0.16221%0.209CC..G310 helixtrans-86.9-17.9170.3-56.9177000111.8E158 V161 A204 L205E158-L207 HydrophobicContact CB-CD1 3.8Å; E158-L207 HydrophobicContact CG-CD1 3.8Å; V161-L207 HydrophobicContact CB-CB 4.42Å; V161-L207 HydrophobicContact CG1-CB 3.69Å; A204-L207 WeakPolarHBondContact O-CB 3.48Å; A204-L207 PolarHBondContact O-N 2.94Å; A204-L207 VanDerWaalsContact O-N 3.13Å; L205-L207 PolarHBondContact O-N 3.48Å
208V97.9Very high97.3Very high0 Ų042.4 Ų42.40%020%0.202CC..SBendtrans-73.6133.4175.6-172.50000109.6V161 E170 F174 V177 L205 I210 F250V161-V208 HydrophobicContact CG1-CG2 3.93Å; E170-V208 HydrophobicContact CG-CG1 4.23Å; E170-V208 WeakPolarHBondContact OE1-CG1 3.31Å; F174-V208 HydrophobicContact CB-CG1 3.96Å; F174-V208 HydrophobicContact CD2-CG1 4.19Å; V177-V208 HydrophobicContact CB-CG2 4.34Å; V177-V208 HydrophobicContact CG1-CG2 4.26Å; V177-V208 HydrophobicContact CG2-CG2 3.94Å; L205-V208 WeakPolarHBondContact O-CB 3.45Å; L205-V208 PolarHBondContact O-N 2.8Å; V208-I210 HydrophobicContact CB-CG1 4.19Å; V208-I210 HydrophobicContact CG1-CG1 3.84Å; V208-I210 PolarHBondContact O-N 2.85Å; V208-F250 WeakPolarHBondContact O-CD1 3.41Å
209R97.9Very high97.2Very high11 Ų1142 Ų424%0.04221%0.209CC..  trans-89.749.2-173.5-40.7-166-174.4-177-3.1111.8T162 E164 E170 P211 T212 P251 T253T162-R209 PolarHBondContact O-NH2 3.01Å; E164-R209 VanDerWaalsContact CD-NH1 3.33Å; E164-R209 IonicContact OE1-CZ 3.9Å; E164-R209 VanDerWaalsContact OE1-CZ 3.25Å; E164-R209 IonicContact OE1-NH1 2.68Å; E164-R209 PolarHBondContact OE1-NH1 2.89Å; E164-R209 IonicContact OE1-NH2 2.91Å; E164-R209 PolarHBondContact OE1-NH2 3.32Å; E164-R209 IonicContact OE2-CZ 2.72Å; E164-R209 IonicContact OE2-NH1 3.18Å; E164-R209 PolarHBondContact OE2-NH1 3.36Å; E164-R209 IonicContact OE2-NH2 3.69Å; E164-R209 PolarHBondContact OE2-NH2 2.93Å; E170-R209 HydrophobicContact CG-CB 3.94Å; E170-R209 PolarHBondContact OE1-N 2.92Å; R209-P211 VanDerWaalsContact C-N 3.25Å; R209-T212 HydrophobicContact CB-CG2 3.77Å; R209-T212 WeakPolarHBondContact CB-OG1 3.47Å; R209-T212 VanDerWaalsContact O-CB 3.3Å; R209-T212 WeakPolarHBondContact O-CB 3.12Å; R209-T212 WeakPolarHBondContact O-CG2 3.44Å; R209-T212 PolarHBondContact O-N 3.46Å; R209-T212 PolarHBondContact O-OG1 2.81Å; R209-P251 HydrophobicContact CB-CB 4.27Å; R209-P251 HydrophobicContact CG-CB 3.86Å; R209-P251 HydrophobicContact CG-CG 4.21Å; R209-T253 WeakPolarHBondContact CD-O 3.33Å; R209-T253 PolarHBondContact NH1-O 2.84Å; R209-T253 VanDerWaalsContact NH1-O 3.11Å
210I97.6Very high97.1Very high0 Ų040.6 Ų40.60%021%0.206CC..G310 helixtrans-45.3-41.5-175-56.7176.6000113.5F174 V208 T212 M213 F218 A222 L228 I236 Y240 F250F174-I210 HydrophobicContact CD2-CD1 4.05Å; F174-I210 HydrophobicContact CD2-CG1 4.22Å; F174-I210 HydrophobicContact CE2-CD1 3.98Å; V208-I210 HydrophobicContact CB-CG1 4.19Å; V208-I210 HydrophobicContact CG1-CG1 3.84Å; V208-I210 PolarHBondContact O-N 2.85Å; I210-T212 PolarHBondContact O-N 2.74Å; I210-M213 HydrophobicContact CB-CE 4.42Å; I210-M213 HydrophobicContact CG1-CE 4.22Å; I210-M213 HydrophobicContact CG2-CE 4.37Å; I210-M213 HydrophobicContact CG2-SD 4.16Å; I210-M213 WeakPolarHBondContact O-CB 3.44Å; I210-M213 WeakPolarHBondContact O-CG 3.29Å; I210-M213 PolarHBondContact O-N 2.88Å; I210-F218 HydrophobicContact CG2-CD2 3.72Å; I210-F218 HydrophobicContact CG2-CE2 4.06Å; I210-A222 HydrophobicContact CG2-CB 3.89Å; I210-L228 HydrophobicContact CD1-CD1 4.27Å; I210-L228 HydrophobicContact CD1-CD2 3.85Å; I210-I236 HydrophobicContact CG2-CD1 4.14Å; I210-I236 HydrophobicContact CG2-CG2 4.49Å; I210-Y240 PolarHBondContact O-OH 3.34Å; I210-Y240 VanDerWaalsContact O-OH 3.08Å; I210-F250 HydrophobicContact CD1-CD1 4.1Å; I210-F250 HydrophobicContact CD1-CE1 3.65Å; I210-F250 HydrophobicContact CD1-CZ 4.12Å; I210-F250 HydrophobicContact CG1-CD1 4.3Å; I210-F250 HydrophobicContact CG1-CE1 4.34Å
211P97.6Very high97Very high6 Ų641.4 Ų41.44%0.03922%0.217CC..G310 helixtrans-66.3-5.8178.6-22.836.6000115.6R209 W239 L248 F250 L252R209-P211 VanDerWaalsContact C-N 3.25Å; P211-W239 HydrophobicContact CB-CG 4.3Å; P211-W239 PolarHBondContact O-NE1 3.23Å; P211-L248 HydrophobicContact CB-CD1 3.88Å; P211-L248 HydrophobicContact CG-CD1 3.43Å; P211-L248 VanDerWaalsContact CG-CD1 3.43Å; P211-F250 HydrophobicContact CG-CB 3.73Å; P211-L252 HydrophobicContact CB-CD2 3.89Å; P211-L252 HydrophobicContact CG-CD2 3.94Å
212T97.1Very high96.9Very high16 Ų1641.4 Ų41.410%0.09822%0.217CC..G310 helixtrans-98.5-8.2-179.674.50000113.6R209 I210 K254R209-T212 HydrophobicContact CB-CG2 3.77Å; R209-T212 WeakPolarHBondContact CB-OG1 3.47Å; R209-T212 VanDerWaalsContact O-CB 3.3Å; R209-T212 WeakPolarHBondContact O-CB 3.12Å; R209-T212 WeakPolarHBondContact O-CG2 3.44Å; R209-T212 PolarHBondContact O-N 3.46Å; R209-T212 PolarHBondContact O-OG1 2.81Å; I210-T212 PolarHBondContact O-N 2.74Å; T212-K254 HydrophobicContact CG2-CG 4.26Å; T212-K254 VanDerWaalsContact O-CE 3.31Å; T212-K254 WeakPolarHBondContact O-CE 3.45Å
213M97.8Very high96.9Very high10 Ų1041.6 Ų41.65%0.04922%0.215CC..SBendtrans-61.6165.6168.5-63.1175.5-17500110.5E170 F174 I210 E217 Y240E170-M213 HydrophobicContact CB-CE 4.46Å; E170-M213 HydrophobicContact CB-CG 4.02Å; E170-M213 HydrophobicContact CG-CE 4.17Å; E170-M213 HydrophobicContact CG-CG 4.42Å; E170-M213 WeakPolarHBondContact O-CE 3.23Å; F174-M213 HydrophobicContact CB-CE 3.35Å; F174-M213 HydrophobicContact CD1-CE 4.39Å; F174-M213 HydrophobicContact CD2-CE 4.43Å; F174-M213 HydrophobicContact CG-CE 3.83Å; I210-M213 HydrophobicContact CB-CE 4.42Å; I210-M213 HydrophobicContact CG1-CE 4.22Å; I210-M213 HydrophobicContact CG2-CE 4.37Å; I210-M213 HydrophobicContact CG2-SD 4.16Å; I210-M213 WeakPolarHBondContact O-CB 3.44Å; I210-M213 WeakPolarHBondContact O-CG 3.29Å; I210-M213 PolarHBondContact O-N 2.88Å; M213-E217 HydrophobicContact CB-CB 4.02Å; M213-Y240 VanDerWaalsContact O-CE1 3.3Å; M213-Y240 WeakPolarHBondContact O-CE1 3.34Å; M213-Y240 PolarHBondContact O-OH 3.07Å
214T97.1Very high96.8Very high68 Ų6839.2 Ų39.242%0.41721%0.212SC..  trans-70.3157.8162.966.50000110.1E216 E217 F218T214-E216 PolarHBondContact O-N 3.11Å; T214-E217 WeakPolarHBondContact CG2-OE2 3.3Å; T214-E217 PolarHBondContact N-OE2 3.48Å; T214-E217 PolarHBondContact O-N 3.17Å; T214-E217 WeakPolarHBondContact OG1-CB 3.45Å; T214-E217 VanDerWaalsContact OG1-CD 3.32Å; T214-E217 WeakPolarHBondContact OG1-CG 3.26Å; T214-E217 PolarHBondContact OG1-N 3.43Å; T214-E217 VanDerWaalsContact OG1-N 3.09Å; T214-E217 PolarHBondContact OG1-OE2 2.87Å; T214-E217 VanDerWaalsContact OG1-OE2 3.09Å; T214-F218 PolarHBondContact O-N 3.29Å
215L96.9Very high96.7Very high74 Ų7440.7 Ų40.739%0.38722%0.222SC..Hα-helixtrans-58.3-36.3175.4177.359.6000111.6F218 A219 F237 Y240L215-F218 HydrophobicContact CD1-CD1 4.42Å; L215-A219 WeakPolarHBondContact O-CB 3.31Å; L215-A219 PolarHBondContact O-N 2.77Å; L215-F237 HydrophobicContact CD1-CD2 4.39Å; L215-F237 HydrophobicContact CD1-CE2 4.48Å; L215-Y240 HydrophobicContact CB-CD1 4.28Å; L215-Y240 HydrophobicContact CB-CG 4.36Å; L215-Y240 HydrophobicContact CD1-CD2 3.8Å; L215-Y240 HydrophobicContact CD1-CG 3.87Å
216E96.9Very high96.4Very high141 Ų14146.6 Ų46.666%0.65925%0.254SS*.Hα-helixtrans-66.1-48.5176.9-174.8178.8179.100111.9T214 F218 A219 N220T214-E216 PolarHBondContact O-N 3.11Å; E216-F218 VanDerWaalsContact C-N 3.31Å; E216-F218 PolarHBondContact O-N 3.42Å; E216-A219 PolarHBondContact O-N 3.35Å; E216-N220 WeakPolarHBondContact CG-ND2 3.16Å; E216-N220 WeakPolarHBondContact O-CB 3.48Å; E216-N220 PolarHBondContact O-N 2.65Å; E216-N220 PolarHBondContact O-ND2 3.02Å
217E97.1Very high96.4Very high50 Ų5043.1 Ų43.123%0.23424%0.24CC..Hα-helixtrans-59.1-41.6175.4-75.4165.9159.700111.6A171 M213 T214 G221A171-E217 HydrophobicContact CB-CB 4.27Å; A171-E217 HydrophobicContact CB-CG 4.13Å; M213-E217 HydrophobicContact CB-CB 4.02Å; T214-E217 WeakPolarHBondContact CG2-OE2 3.3Å; T214-E217 PolarHBondContact N-OE2 3.48Å; T214-E217 PolarHBondContact O-N 3.17Å; T214-E217 WeakPolarHBondContact OG1-CB 3.45Å; T214-E217 VanDerWaalsContact OG1-CD 3.32Å; T214-E217 WeakPolarHBondContact OG1-CG 3.26Å; T214-E217 PolarHBondContact OG1-N 3.43Å; T214-E217 VanDerWaalsContact OG1-N 3.09Å; T214-E217 PolarHBondContact OG1-OE2 2.87Å; T214-E217 VanDerWaalsContact OG1-OE2 3.09Å; E217-G221 WeakPolarHBondContact O-CA 3.43Å; E217-G221 PolarHBondContact O-N 3.11Å
218F97.9Very high96.3Very high4 Ų442.2 Ų42.22%0.01824%0.236CC..Hα-helixtrans-64.6-48.9175.6170.3-108.2000112I210 T214 L215 E216 N220 G221 A222 A223 L228 T233 I236 F237 Y240I210-F218 HydrophobicContact CG2-CD2 3.72Å; I210-F218 HydrophobicContact CG2-CE2 4.06Å; T214-F218 PolarHBondContact O-N 3.29Å; L215-F218 HydrophobicContact CD1-CD1 4.42Å; E216-F218 VanDerWaalsContact C-N 3.31Å; E216-F218 PolarHBondContact O-N 3.42Å; F218-N220 PolarHBondContact O-N 2.88Å; F218-G221 CarbonylContact O-C 3.58Å; F218-G221 PolarHBondContact O-N 2.8Å; F218-A222 HydrophobicContact CD2-CB 3.92Å; F218-A222 HydrophobicContact CE2-CB 4.21Å; F218-A222 PolarHBondContact O-N 2.72Å; F218-A223 HydrophobicContact CD1-CB 4.38Å; F218-A223 HydrophobicContact CE1-CB 3.98Å; F218-A223 HydrophobicContact CE2-CB 4.19Å; F218-A223 HydrophobicContact CZ-CB 3.87Å; F218-A223 WeakPolarHBondContact O-CB 3.36Å; F218-A223 PolarHBondContact O-N 3.43Å; F218-L228 HydrophobicContact CE2-CD1 4.01Å; F218-T233 HydrophobicContact CZ-CG2 4.13Å; F218-I236 HydrophobicContact CD1-CG2 4.32Å; F218-I236 HydrophobicContact CD2-CG2 3.77Å; F218-I236 HydrophobicContact CE1-CB 4.49Å; F218-I236 HydrophobicContact CE1-CG2 4Å; F218-I236 HydrophobicContact CE2-CB 3.96Å; F218-I236 HydrophobicContact CE2-CD1 4.21Å; F218-I236 HydrophobicContact CE2-CG2 3.42Å; F218-I236 VanDerWaalsContact CE2-CG2 3.42Å; F218-I236 HydrophobicContact CG-CG2 4.22Å; F218-I236 HydrophobicContact CZ-CB 3.8Å; F218-I236 HydrophobicContact CZ-CG2 3.54Å; F218-F237 HydrophobicContact CE1-CB 4.39Å; F218-Y240 HydrophobicContact CB-CE2 3.81Å; F218-Y240 HydrophobicContact CD1-CD2 4.1Å; F218-Y240 AromaticContact CD1-CE2 3.74Å; F218-Y240 HydrophobicContact CD1-CE2 3.74Å; F218-Y240 HydrophobicContact CD2-CE2 4.44Å; F218-Y240 HydrophobicContact CE1-CE2 4.45Å; F218-Y240 AromaticContact CG-CE2 3.73Å; F218-Y240 HydrophobicContact CG-CE2 3.73Å
219A96.1Very high96.2Very high40 Ų4045 Ų4533%0.33125%0.253SS..Hα-helixtrans-66.1-37.9-17600000112.8L215 E216 Q224L215-A219 WeakPolarHBondContact O-CB 3.31Å; L215-A219 PolarHBondContact O-N 2.77Å; E216-A219 PolarHBondContact O-N 3.35Å; A219-Q224 WeakPolarHBondContact O-CG 3.29Å; A219-Q224 PolarHBondContact O-NE2 2.71Å
220N95.1Very high96.1Very high107 Ų10752 Ų5257%0.57229%0.291SS*.Hα-helixtrans-90.2-9-179.6-65.5-35.1000113.6E216 F218E216-N220 WeakPolarHBondContact CG-ND2 3.16Å; E216-N220 WeakPolarHBondContact O-CB 3.48Å; E216-N220 PolarHBondContact O-N 2.65Å; E216-N220 PolarHBondContact O-ND2 3.02Å; F218-N220 PolarHBondContact O-N 2.88Å
221G95.2Very high96Very high26 Ų2659.2 Ų59.227%0.26832%0.324SS..THydrogen-bonded Turntrans-118.9-95.7179.300000111.8E217 F218 A223 Q224 S225E217-G221 WeakPolarHBondContact O-CA 3.43Å; E217-G221 PolarHBondContact O-N 3.11Å; F218-G221 CarbonylContact O-C 3.58Å; F218-G221 PolarHBondContact O-N 2.8Å; G221-A223 VanDerWaalsContact C-N 3.3Å; G221-A223 PolarHBondContact O-N 2.96Å; G221-Q224 PolarHBondContact O-N 3.05Å; G221-S225 PolarHBondContact O-N 3.48Å
222A95.5Very high96Very high1 Ų160 Ų601%0.00833%0.327CS..G310 helixtrans-57.1-37.6-168.700000114.3F174 I210 F218 Q224 S225 L228F174-A222 HydrophobicContact CD1-CB 4.24Å; F174-A222 VanDerWaalsContact CE1-CA 3.47Å; F174-A222 HydrophobicContact CE1-CB 3.72Å; F174-A222 HydrophobicContact CE2-CB 4.04Å; F174-A222 HydrophobicContact CZ-CB 3.62Å; I210-A222 HydrophobicContact CG2-CB 3.89Å; F218-A222 HydrophobicContact CD2-CB 3.92Å; F218-A222 HydrophobicContact CE2-CB 4.21Å; F218-A222 PolarHBondContact O-N 2.72Å; A222-Q224 VanDerWaalsContact C-N 3.27Å; A222-Q224 PolarHBondContact O-N 3.32Å; A222-S225 PolarHBondContact O-N 2.69Å; A222-S225 PolarHBondContact O-OG 3.19Å; A222-L228 HydrophobicContact CB-CD1 4.03Å
223A95.3Very high96Very high31 Ų3160.8 Ų60.826%0.25633%0.332SS..G310 helixtrans-65.3-27.7179.400000113.7F218 G221 T233F218-A223 HydrophobicContact CD1-CB 4.38Å; F218-A223 HydrophobicContact CE1-CB 3.98Å; F218-A223 HydrophobicContact CE2-CB 4.19Å; F218-A223 HydrophobicContact CZ-CB 3.87Å; F218-A223 WeakPolarHBondContact O-CB 3.36Å; F218-A223 PolarHBondContact O-N 3.43Å; G221-A223 VanDerWaalsContact C-N 3.3Å; G221-A223 PolarHBondContact O-N 2.96Å; A223-T233 HydrophobicContact CB-CG2 4.07Å
224Q94.3Very high95.9Very high130 Ų13065.5 Ų65.561%0.60735%0.354SS*.G310 helixtrans-99.9-2.5-179-66.1-178.239.600113.3A219 G221 A222 D226A219-Q224 WeakPolarHBondContact O-CG 3.29Å; A219-Q224 PolarHBondContact O-NE2 2.71Å; G221-Q224 PolarHBondContact O-N 3.05Å; A222-Q224 VanDerWaalsContact C-N 3.27Å; A222-Q224 PolarHBondContact O-N 3.32Å; Q224-D226 PolarHBondContact O-N 3.05Å
225S93.2Very high95.9Very high31 Ų3163.4 Ų63.422%0.21734%0.342CS..SBendtrans-74.9-10.2-17668.40000114.4G221 A222 I227G221-S225 PolarHBondContact O-N 3.48Å; A222-S225 PolarHBondContact O-N 2.69Å; A222-S225 PolarHBondContact O-OG 3.19Å; S225-I227 PolarHBondContact O-N 2.96Å; S225-I227 VanDerWaalsContact OG-CG2 3.26Å; S225-I227 WeakPolarHBondContact OG-CG2 3.34Å; S225-I227 PolarHBondContact OG-N 2.91Å
226D93.1Very high96Very high125 Ų12560 Ų6067%0.66832%0.324SS*.SBendtrans5310-169.8-66.6-36.5000114.8P194 Q224P194-D226 HydrophobicContact CB-CB 3.85Å; P194-D226 WeakPolarHBondContact CB-O 3.37Å; P194-D226 HydrophobicContact CG-CB 3.78Å; Q224-D226 PolarHBondContact O-N 3.05Å
227I95.8Very high96Very high3 Ų357.9 Ų57.92%0.01531%0.313CS..  trans-82.5-30.7178-149167000111.6F174 L178 K197 R198 L201 L205 S225F174-I227 HydrophobicContact CE2-CG2 4.08Å; F174-I227 HydrophobicContact CZ-CG2 3.98Å; L178-I227 HydrophobicContact CD2-CB 4.41Å; L178-I227 HydrophobicContact CD2-CD1 3.3Å; L178-I227 HydrophobicContact CD2-CG1 4.43Å; L178-I227 HydrophobicContact CD2-CG2 4.3Å; K197-I227 HydrophobicContact CB-CD1 3.92Å; R198-I227 HydrophobicContact CB-CG1 3.86Å; R198-I227 WeakPolarHBondContact CD-O 3.48Å; R198-I227 HydrophobicContact CG-CG1 4.45Å; R198-I227 PolarHBondContact NH1-O 3.08Å; L201-I227 HydrophobicContact CD1-CD1 3.6Å; L205-I227 HydrophobicContact CD1-CG2 4.27Å; S225-I227 PolarHBondContact O-N 2.96Å; S225-I227 VanDerWaalsContact OG-CG2 3.26Å; S225-I227 WeakPolarHBondContact OG-CG2 3.34Å; S225-I227 PolarHBondContact OG-N 2.91Å
228L96.6Very high96Very high13 Ų1358.2 Ų58.27%0.06832%0.316CS..SBendtrans-81.6144.9175.5-62.8-179.7000110I210 F218 A222 E232 T233 I236 F250I210-L228 HydrophobicContact CD1-CD1 4.27Å; I210-L228 HydrophobicContact CD1-CD2 3.85Å; F218-L228 HydrophobicContact CE2-CD1 4.01Å; A222-L228 HydrophobicContact CB-CD1 4.03Å; L228-E232 WeakPolarHBondContact CA-OE2 3.32Å; L228-E232 HydrophobicContact CB-CB 4.27Å; L228-T233 WeakPolarHBondContact CB-OG1 3.4Å; L228-I236 HydrophobicContact CD1-CD1 3.95Å; L228-F250 HydrophobicContact CD2-CE1 4.46Å; L228-F250 HydrophobicContact CD2-CE2 4.4Å; L228-F250 HydrophobicContact CD2-CZ 3.72Å
229T96.1Very high95.9Very high58 Ų5860.9 Ų60.936%0.35633%0.326SS..  trans-69.9158.9171.473.80000110.1E231 E232 T233T229-E231 PolarHBondContact O-N 2.93Å; T229-E232 PolarHBondContact N-OE2 3.42Å; T229-E232 PolarHBondContact O-N 3.47Å; T229-E232 VanDerWaalsContact O-N 3.14Å; T229-E232 VanDerWaalsContact OG1-CG 3.3Å; T229-E232 WeakPolarHBondContact OG1-CG 3.34Å; T229-E232 PolarHBondContact OG1-N 2.9Å; T229-E232 VanDerWaalsContact OG1-N 3.08Å; T229-T233 PolarHBondContact O-N 2.89Å; T229-T233 PolarHBondContact O-OG1 3.02Å
230L95.4Very high95.9Very high159 Ų15961.4 Ų61.483%0.83232%0.319SS*.Hα-helixtrans-57.3-35.8175.1-67.2175000112.1H234L230-H234 WeakPolarHBondContact O-CB 3.35Å; L230-H234 PolarHBondContact O-N 3.24Å
231E96Very high95.9Very high150 Ų15059.8 Ų59.870%0.70131%0.314SS*.Hα-helixtrans-68-42.8176.4-176.2176.4-173.900112.2T229 S235T229-E231 PolarHBondContact O-N 2.93Å; E231-S235 VanDerWaalsContact O-CB 3.27Å; E231-S235 WeakPolarHBondContact O-CB 3.17Å; E231-S235 PolarHBondContact O-N 3.45Å; E231-S235 PolarHBondContact O-OG 3.2Å
232E97.3Very high96Very high23 Ų2359.9 Ų59.911%0.10731%0.312CS..Hα-helixtrans-63.4-49.3175.4-74169.8160.500111R198 Y206 L228 T229 H234 S235 I236 F250R198-E232 IonicContact CZ-OE1 3.66Å; R198-E232 IonicContact CZ-OE2 3.37Å; R198-E232 IonicContact NH1-OE1 3.67Å; R198-E232 IonicContact NH1-OE2 2.73Å; R198-E232 PolarHBondContact NH1-OE2 3.44Å; R198-E232 VanDerWaalsContact NH2-CD 3.27Å; R198-E232 IonicContact NH2-OE1 2.69Å; R198-E232 PolarHBondContact NH2-OE1 2.83Å; R198-E232 IonicContact NH2-OE2 3.12Å; R198-E232 PolarHBondContact NH2-OE2 3.32Å; R198-E232 VanDerWaalsContact NH2-OE2 3.12Å; Y206-E232 WeakPolarHBondContact CE1-OE1 3.45Å; L228-E232 WeakPolarHBondContact CA-OE2 3.32Å; L228-E232 HydrophobicContact CB-CB 4.27Å; T229-E232 PolarHBondContact N-OE2 3.42Å; T229-E232 PolarHBondContact O-N 3.47Å; T229-E232 VanDerWaalsContact O-N 3.14Å; T229-E232 VanDerWaalsContact OG1-CG 3.3Å; T229-E232 WeakPolarHBondContact OG1-CG 3.34Å; T229-E232 PolarHBondContact OG1-N 2.9Å; T229-E232 VanDerWaalsContact OG1-N 3.08Å; E232-H234 VanDerWaalsContact C-N 3.33Å; E232-H234 PolarHBondContact O-N 3.18Å; E232-S235 PolarHBondContact O-N 2.95Å; E232-I236 WeakPolarHBondContact O-CB 3.49Å; E232-I236 VanDerWaalsContact O-CG1 3.26Å; E232-I236 WeakPolarHBondContact O-CG1 3.46Å; E232-I236 PolarHBondContact O-N 3.42Å; E232-F250 HydrophobicContact CG-CE2 4.31Å
233T97.3Very high95.9Very high32 Ų3266.4 Ų66.420%0.19635%0.352CS..Hα-helixtrans-58.8-45.8178.5-61.60000111.1F218 A223 L228 T229 F237F218-T233 HydrophobicContact CZ-CG2 4.13Å; A223-T233 HydrophobicContact CB-CG2 4.07Å; L228-T233 WeakPolarHBondContact CB-OG1 3.4Å; T229-T233 PolarHBondContact O-N 2.89Å; T229-T233 PolarHBondContact O-OG1 3.02Å; T233-F237 WeakPolarHBondContact O-CB 3.33Å; T233-F237 PolarHBondContact O-N 3.47Å
234H96.3Very high95.9Very high110 Ų11071.8 Ų71.851%0.50938%0.376SS..Hα-helixtrans-61.8-45.8175.7173.6-100.5000112.2L230 E232 F237 L238L230-H234 WeakPolarHBondContact O-CB 3.35Å; L230-H234 PolarHBondContact O-N 3.24Å; E232-H234 VanDerWaalsContact C-N 3.33Å; E232-H234 PolarHBondContact O-N 3.18Å; H234-F237 WeakPolarHBondContact O-CB 3.4Å; H234-F237 PolarHBondContact O-N 2.84Å; H234-L238 WeakPolarHBondContact CE1-CD1 2.8Å; H234-L238 WeakPolarHBondContact O-CG 3.43Å; H234-L238 PolarHBondContact O-N 3.19Å
235S97.6Very high95.9Very high24 Ų2470.5 Ų70.517%0.16837%0.368CS..Hα-helixtrans-66.5-40.4-179.1-59.30000112.2E231 E232 F237 L238 W239 P246E231-S235 VanDerWaalsContact O-CB 3.27Å; E231-S235 WeakPolarHBondContact O-CB 3.17Å; E231-S235 PolarHBondContact O-N 3.45Å; E231-S235 PolarHBondContact O-OG 3.2Å; E232-S235 PolarHBondContact O-N 2.95Å; S235-F237 VanDerWaalsContact C-N 3.34Å; S235-L238 PolarHBondContact O-N 3.33Å; S235-W239 PolarHBondContact O-N 3.29Å; S235-P246 WeakPolarHBondContact O-CG 3.25Å
236I97.6Very high95.9Very high1 Ų170.7 Ų70.71%0.00537%0.369CS..Hα-helixtrans-66.8-37.7174.6-65.3164.2000110.5I210 F218 L228 E232 W239 Y240 L248 F250I210-I236 HydrophobicContact CG2-CD1 4.14Å; I210-I236 HydrophobicContact CG2-CG2 4.49Å; F218-I236 HydrophobicContact CD1-CG2 4.32Å; F218-I236 HydrophobicContact CD2-CG2 3.77Å; F218-I236 HydrophobicContact CE1-CB 4.49Å; F218-I236 HydrophobicContact CE1-CG2 4Å; F218-I236 HydrophobicContact CE2-CB 3.96Å; F218-I236 HydrophobicContact CE2-CD1 4.21Å; F218-I236 HydrophobicContact CE2-CG2 3.42Å; F218-I236 VanDerWaalsContact CE2-CG2 3.42Å; F218-I236 HydrophobicContact CG-CG2 4.22Å; F218-I236 HydrophobicContact CZ-CB 3.8Å; F218-I236 HydrophobicContact CZ-CG2 3.54Å; L228-I236 HydrophobicContact CD1-CD1 3.95Å; E232-I236 WeakPolarHBondContact O-CB 3.49Å; E232-I236 VanDerWaalsContact O-CG1 3.26Å; E232-I236 WeakPolarHBondContact O-CG1 3.46Å; E232-I236 PolarHBondContact O-N 3.42Å; I236-W239 VanDerWaalsContact O-CB 3.27Å; I236-W239 WeakPolarHBondContact O-CB 3.42Å; I236-W239 PolarHBondContact O-N 2.92Å; I236-W239 VanDerWaalsContact O-N 3.15Å; I236-Y240 HydrophobicContact CG2-CD2 4.23Å; I236-Y240 HydrophobicContact CG2-CE2 3.68Å; I236-Y240 WeakPolarHBondContact O-CD2 3.46Å; I236-Y240 PolarHBondContact O-N 3.4Å; I236-L248 HydrophobicContact CG1-CD1 4.09Å; I236-L248 HydrophobicContact CG1-CD2 4.31Å; I236-F250 HydrophobicContact CD1-CD2 4.03Å; I236-F250 HydrophobicContact CD1-CE2 3.92Å
237F97Very high96Very high98 Ų9875.9 Ų75.943%0.4338%0.379SS..Hα-helixtrans-62.5-43.8173.9-179.4-95.8000112.4L215 F218 T233 H234 S235 W239 Y240 T241L215-F237 HydrophobicContact CD1-CD2 4.39Å; L215-F237 HydrophobicContact CD1-CE2 4.48Å; F218-F237 HydrophobicContact CE1-CB 4.39Å; T233-F237 WeakPolarHBondContact O-CB 3.33Å; T233-F237 PolarHBondContact O-N 3.47Å; H234-F237 WeakPolarHBondContact O-CB 3.4Å; H234-F237 PolarHBondContact O-N 2.84Å; S235-F237 VanDerWaalsContact C-N 3.34Å; F237-W239 VanDerWaalsContact C-N 3.26Å; F237-W239 PolarHBondContact O-N 3.4Å; F237-Y240 PolarHBondContact O-N 3.21Å; F237-Y240 VanDerWaalsContact O-N 3.14Å; F237-T241 HydrophobicContact CE1-CG2 4.09Å; F237-T241 HydrophobicContact CE2-CG2 4.12Å; F237-T241 HydrophobicContact CZ-CG2 3.82Å; F237-T241 PolarHBondContact O-N 2.83Å; F237-T241 VanDerWaalsContact O-N 3.13Å; F237-T241 PolarHBondContact O-OG1 3.43Å
238L97.1Very high96.1Very high56 Ų5676.8 Ų76.829%0.29338%0.384SS..Hα-helixtrans-63.5-33.1172.8-69.6-177.4000111.9H234 S235 Y240 T241 A242 P246H234-L238 WeakPolarHBondContact CE1-CD1 2.8Å; H234-L238 WeakPolarHBondContact O-CG 3.43Å; H234-L238 PolarHBondContact O-N 3.19Å; S235-L238 PolarHBondContact O-N 3.33Å; L238-Y240 VanDerWaalsContact C-N 3.25Å; L238-Y240 PolarHBondContact O-N 3.07Å; L238-T241 PolarHBondContact O-N 3.11Å; L238-A242 HydrophobicContact CB-CB 4.22Å; L238-A242 HydrophobicContact CD2-CB 4.27Å; L238-A242 WeakPolarHBondContact O-CB 3.44Å; L238-A242 PolarHBondContact O-N 3.04Å; L238-P246 HydrophobicContact CB-CG 4.07Å
239W96.9Very high96Very high61 Ų6181.9 Ų81.923%0.23141%0.411CS..Hα-helixtrans-59-35.4172.6171.3-94000112.7P211 S235 I236 F237 K245 L248 L252P211-W239 HydrophobicContact CB-CG 4.3Å; P211-W239 PolarHBondContact O-NE1 3.23Å; S235-W239 PolarHBondContact O-N 3.29Å; I236-W239 VanDerWaalsContact O-CB 3.27Å; I236-W239 WeakPolarHBondContact O-CB 3.42Å; I236-W239 PolarHBondContact O-N 2.92Å; I236-W239 VanDerWaalsContact O-N 3.15Å; F237-W239 VanDerWaalsContact C-N 3.26Å; F237-W239 PolarHBondContact O-N 3.4Å; W239-K245 HydrophobicContact CD2-CD 4.43Å; W239-K245 HydrophobicContact CE3-CB 3.69Å; W239-K245 HydrophobicContact CE3-CD 4.05Å; W239-K245 HydrophobicContact CE3-CG 4.03Å; W239-K245 HydrophobicContact CZ3-CB 3.64Å; W239-K245 HydrophobicContact CZ3-CD 4.37Å; W239-K245 HydrophobicContact CZ3-CG 3.92Å; W239-K245 VanDerWaalsContact O-CD 3.3Å; W239-K245 WeakPolarHBondContact O-CD 3.29Å; W239-K245 VanDerWaalsContact O-CE 3.29Å; W239-K245 WeakPolarHBondContact O-CE 3.47Å; W239-K245 PolarHBondContact O-NZ 3.32Å; W239-L248 HydrophobicContact CB-CD1 3.78Å; W239-L248 HydrophobicContact CD2-CD1 4.08Å; W239-L248 HydrophobicContact CE3-CD1 4.34Å; W239-L248 HydrophobicContact CG-CD1 3.8Å; W239-L252 HydrophobicContact CD2-CD2 4.3Å; W239-L252 HydrophobicContact CE3-CD2 4.36Å; W239-L252 HydrophobicContact CH2-CB 4.25Å; W239-L252 HydrophobicContact CH2-CD1 3.71Å; W239-L252 HydrophobicContact CH2-CD2 4.14Å; W239-L252 HydrophobicContact CH2-CG 4.25Å; W239-L252 HydrophobicContact CZ2-CB 4.13Å; W239-L252 HydrophobicContact CZ2-CD1 4.33Å; W239-L252 HydrophobicContact CZ2-CD2 4.02Å; W239-L252 HydrophobicContact CZ2-CG 4.38Å; W239-L252 HydrophobicContact CZ3-CD1 3.87Å; W239-L252 HydrophobicContact CZ3-CD2 4.29Å
240Y95.1Very high96.1Very high50 Ų5079.7 Ų79.720%0.19640%0.397CS..Hα-helixtrans-74.7-42.8173.5-70.5-69.7000113.1I210 M213 L215 F218 I236 F237 L238I210-Y240 PolarHBondContact O-OH 3.34Å; I210-Y240 VanDerWaalsContact O-OH 3.08Å; M213-Y240 VanDerWaalsContact O-CE1 3.3Å; M213-Y240 WeakPolarHBondContact O-CE1 3.34Å; M213-Y240 PolarHBondContact O-OH 3.07Å; L215-Y240 HydrophobicContact CB-CD1 4.28Å; L215-Y240 HydrophobicContact CB-CG 4.36Å; L215-Y240 HydrophobicContact CD1-CD2 3.8Å; L215-Y240 HydrophobicContact CD1-CG 3.87Å; F218-Y240 HydrophobicContact CB-CE2 3.81Å; F218-Y240 HydrophobicContact CD1-CD2 4.1Å; F218-Y240 AromaticContact CD1-CE2 3.74Å; F218-Y240 HydrophobicContact CD1-CE2 3.74Å; F218-Y240 HydrophobicContact CD2-CE2 4.44Å; F218-Y240 HydrophobicContact CE1-CE2 4.45Å; F218-Y240 AromaticContact CG-CE2 3.73Å; F218-Y240 HydrophobicContact CG-CE2 3.73Å; I236-Y240 HydrophobicContact CG2-CD2 4.23Å; I236-Y240 HydrophobicContact CG2-CE2 3.68Å; I236-Y240 WeakPolarHBondContact O-CD2 3.46Å; I236-Y240 PolarHBondContact O-N 3.4Å; F237-Y240 PolarHBondContact O-N 3.21Å; F237-Y240 VanDerWaalsContact O-N 3.14Å; L238-Y240 VanDerWaalsContact C-N 3.25Å; L238-Y240 PolarHBondContact O-N 3.07Å
241T96Very high96.2Very high74 Ų7474.1 Ų74.145%0.45437%0.37SS..Hα-helixtrans-105.6-28.5-161.456.70000115.1F237 L238F237-T241 HydrophobicContact CE1-CG2 4.09Å; F237-T241 HydrophobicContact CE2-CG2 4.12Å; F237-T241 HydrophobicContact CZ-CG2 3.82Å; F237-T241 PolarHBondContact O-N 2.83Å; F237-T241 VanDerWaalsContact O-N 3.13Å; F237-T241 PolarHBondContact O-OG1 3.43Å; L238-T241 PolarHBondContact O-N 3.11Å
242A95.6Very high96.2Very high27 Ų2770.5 Ų70.522%0.22336%0.355CS..  trans-82.2148.7-173.900000112.4L238 K245L238-A242 HydrophobicContact CB-CB 4.22Å; L238-A242 HydrophobicContact CD2-CB 4.27Å; L238-A242 WeakPolarHBondContact O-CB 3.44Å; L238-A242 PolarHBondContact O-N 3.04Å; A242-K245 WeakPolarHBondContact O-CD 3.39Å; A242-K245 VanDerWaalsContact O-CE 3.28Å; A242-K245 WeakPolarHBondContact O-CE 3.42Å; A242-K245 PolarHBondContact O-NZ 3.28Å
243T95.1Very high96.2Very high138 Ų13874 Ų7485%0.84738%0.378SS*.SBendtrans-67.7-44.8170.5-49.50000111.1
244N93.9Very high96.1Very high144 Ų14479.8 Ų79.877%0.7740%0.401SS*.SBendtrans-92.4108.2176.5-65.7-30.4000108.9
245K94.1Very high96.1Very high103 Ų10375.9 Ų75.945%0.44838%0.381SS..PPolyproline II helixtrans-76.8131.9-174.6-58.8-59.1-177.3-169.10111.2W239 A242W239-K245 HydrophobicContact CD2-CD 4.43Å; W239-K245 HydrophobicContact CE3-CB 3.69Å; W239-K245 HydrophobicContact CE3-CD 4.05Å; W239-K245 HydrophobicContact CE3-CG 4.03Å; W239-K245 HydrophobicContact CZ3-CB 3.64Å; W239-K245 HydrophobicContact CZ3-CD 4.37Å; W239-K245 HydrophobicContact CZ3-CG 3.92Å; W239-K245 VanDerWaalsContact O-CD 3.3Å; W239-K245 WeakPolarHBondContact O-CD 3.29Å; W239-K245 VanDerWaalsContact O-CE 3.29Å; W239-K245 WeakPolarHBondContact O-CE 3.47Å; W239-K245 PolarHBondContact O-NZ 3.32Å; A242-K245 WeakPolarHBondContact O-CD 3.39Å; A242-K245 VanDerWaalsContact O-CE 3.28Å; A242-K245 WeakPolarHBondContact O-CE 3.42Å; A242-K245 PolarHBondContact O-NZ 3.28Å
246P94.9Very high95.9Very high35 Ų3583.2 Ų83.223%0.22741%0.411CS..PPolyproline II helixtrans-70.6162172.631.2-34.1000110.7S235 L238 L248S235-P246 WeakPolarHBondContact O-CG 3.25Å; L238-P246 HydrophobicContact CB-CG 4.07Å; P246-L248 HydrophobicContact CG-CD2 4.08Å
247R95Very high95.7Very high234 Ų23483.9 Ų83.988%0.88342%0.418SS*.PPolyproline II helixtrans-77.8132.6166.7-175.1178.1177.7179.5-0.7108.6
248L96.7Very high95.6Very high22 Ų2281.4 Ų81.412%0.11541%0.408CS..  trans-116.8152.9176.1-53.3-177.9000110.1P211 I236 W239 P246 L252P211-L248 HydrophobicContact CB-CD1 3.88Å; P211-L248 HydrophobicContact CG-CD1 3.43Å; P211-L248 VanDerWaalsContact CG-CD1 3.43Å; I236-L248 HydrophobicContact CG1-CD1 4.09Å; I236-L248 HydrophobicContact CG1-CD2 4.31Å; W239-L248 HydrophobicContact CB-CD1 3.78Å; W239-L248 HydrophobicContact CD2-CD1 4.08Å; W239-L248 HydrophobicContact CE3-CD1 4.34Å; W239-L248 HydrophobicContact CG-CD1 3.8Å; P246-L248 HydrophobicContact CG-CD2 4.08Å; L248-L252 HydrophobicContact CB-CD2 4.16Å; L248-L252 HydrophobicContact CD1-CD2 3.79Å; L248-L252 HydrophobicContact CG-CD2 4.3Å
249D96.1Very high95.4Very high121 Ų12182.3 Ų82.365%0.64742%0.424SS*.SBendtrans-86.22.8173.2-63.2-40.2000112.9Y206Y206-D249 HydrophobicContact CD1-CB 4.23Å
250F97.4Very high95.3Very high11 Ų1182 Ų825%0.04843%0.43CS..SBendtrans-101.7148.9178.6-64-85.9000111.5L205 Y206 V208 I210 P211 L228 E232 I236 L252L205-F250 HydrophobicContact CG-CE1 4.45Å; Y206-F250 AromaticContact CD1-CE1 3.99Å; Y206-F250 HydrophobicContact CD1-CE1 3.99Å; Y206-F250 HydrophobicContact CD1-CE2 4.36Å; Y206-F250 AromaticContact CD1-CZ 3.9Å; Y206-F250 HydrophobicContact CD1-CZ 3.9Å; Y206-F250 HydrophobicContact CE1-CZ 4.21Å; V208-F250 WeakPolarHBondContact O-CD1 3.41Å; I210-F250 HydrophobicContact CD1-CD1 4.1Å; I210-F250 HydrophobicContact CD1-CE1 3.65Å; I210-F250 HydrophobicContact CD1-CZ 4.12Å; I210-F250 HydrophobicContact CG1-CD1 4.3Å; I210-F250 HydrophobicContact CG1-CE1 4.34Å; P211-F250 HydrophobicContact CG-CB 3.73Å; L228-F250 HydrophobicContact CD2-CE1 4.46Å; L228-F250 HydrophobicContact CD2-CE2 4.4Å; L228-F250 HydrophobicContact CD2-CZ 3.72Å; E232-F250 HydrophobicContact CG-CE2 4.31Å; I236-F250 HydrophobicContact CD1-CD2 4.03Å; I236-F250 HydrophobicContact CD1-CE2 3.92Å; F250-L252 WeakPolarHBondContact O-CD2 3.3Å; F250-L252 PolarHBondContact O-N 2.88Å
251P97.6Very high95.4Very high43 Ų4382.5 Ų82.528%0.27943%0.434SS..  trans-59.7137.1172.2-21.631.3000112Y206 R209Y206-P251 VanDerWaalsContact O-CD 3.25Å; Y206-P251 WeakPolarHBondContact O-CD 3.48Å; R209-P251 HydrophobicContact CB-CB 4.27Å; R209-P251 HydrophobicContact CG-CB 3.86Å; R209-P251 HydrophobicContact CG-CG 4.21Å
252L96.7Very high95.5Very high74 Ų7483.6 Ų83.639%0.38743%0.43SS..  trans-103.2-6.3-173.3-54.5177.4000113.4P211 W239 L248 F250P211-L252 HydrophobicContact CB-CD2 3.89Å; P211-L252 HydrophobicContact CG-CD2 3.94Å; W239-L252 HydrophobicContact CD2-CD2 4.3Å; W239-L252 HydrophobicContact CE3-CD2 4.36Å; W239-L252 HydrophobicContact CH2-CB 4.25Å; W239-L252 HydrophobicContact CH2-CD1 3.71Å; W239-L252 HydrophobicContact CH2-CD2 4.14Å; W239-L252 HydrophobicContact CH2-CG 4.25Å; W239-L252 HydrophobicContact CZ2-CB 4.13Å; W239-L252 HydrophobicContact CZ2-CD1 4.33Å; W239-L252 HydrophobicContact CZ2-CD2 4.02Å; W239-L252 HydrophobicContact CZ2-CG 4.38Å; W239-L252 HydrophobicContact CZ3-CD1 3.87Å; W239-L252 HydrophobicContact CZ3-CD2 4.29Å; L248-L252 HydrophobicContact CB-CD2 4.16Å; L248-L252 HydrophobicContact CD1-CD2 3.79Å; L248-L252 HydrophobicContact CG-CD2 4.3Å; F250-L252 WeakPolarHBondContact O-CD2 3.3Å; F250-L252 PolarHBondContact O-N 2.88Å
253T95.9Very high95.6Very high95 Ų9582.3 Ų82.358%0.58342%0.42SS*.SBendtrans-103.5125.8-175.350.50000110.9R209R209-T253 WeakPolarHBondContact CD-O 3.33Å; R209-T253 PolarHBondContact NH1-O 2.84Å; R209-T253 VanDerWaalsContact NH1-O 3.11Å
254K95.8Very high95.7Very high155 Ų15578.8 Ų78.867%0.67439%0.393SS*.PPolyproline II helixtrans-53.2144.7172.8-76.1-179.1177.1-1700110.6T212T212-K254 HydrophobicContact CG2-CG 4.26Å; T212-K254 VanDerWaalsContact O-CE 3.31Å; T212-K254 WeakPolarHBondContact O-CE 3.45Å
255R95.3Very high95.8Very high27 Ų2772 Ų7210%0.10236%0.357CS..PPolyproline II helixtrans-57.3140170.2-68.1-179-164-81.5-7.7109.3V161 R163 E170 G257V161-R255 PolarHBondContact O-NH1 3.08Å; V161-R255 PolarHBondContact O-NH2 3.01Å; R163-R255 PolarHBondContact O-NH1 2.77Å; E170-R255 IonicContact OE1-CZ 2.85Å; E170-R255 IonicContact OE1-NE 2.68Å; E170-R255 IonicContact OE1-NH2 3.03Å; E170-R255 PolarHBondContact OE1-NH2 2.88Å; E170-R255 IonicContact OE2-CZ 2.7Å; E170-R255 IonicContact OE2-NE 3.1Å; E170-R255 PolarHBondContact OE2-NE 3.4Å; E170-R255 IonicContact OE2-NH2 3.87Å; E170-R255 PolarHBondContact OE2-NH2 2.86Å; R255-G257 VanDerWaalsContact C-N 3.26Å; R255-G257 PolarHBondContact O-N 3.49Å
256K94.9Very high95.9Very high179 Ų17967.4 Ų67.478%0.77834%0.337SS*.  trans-64.4-36176.1-171.6179.6177.1-1750111.4E164E164-K256 PolarHBondContact O-N 2.82Å; E164-K256 PolarHBondContact OE2-N 2.89Å
257G93.1Very high95.9Very high15 Ų1572.3 Ų72.316%0.15536%0.357CS..  trans65.9-166.8-171.600000112E164 R255E164-G257 PolarHBondContact O-N 2.87Å; R255-G257 VanDerWaalsContact C-N 3.26Å; R255-G257 PolarHBondContact O-N 3.49Å
258L94.1Very high95.7Very high45 Ų4562.9 Ų62.924%0.23633%0.327CS..PPolyproline II helixtrans-86.9139.6175.3-65.6176.7000111.1D137 A138 A165 N167 P260 Y409D137-L258 HydrophobicContact CB-CD1 4.12Å; D137-L258 HydrophobicContact CB-CD2 4.08Å; D137-L258 HydrophobicContact CB-CG 4.29Å; A138-L258 HydrophobicContact CB-CD1 3.96Å; A165-L258 HydrophobicContact CB-CD2 4.15Å; N167-L258 HydrophobicContact CB-CD1 4.22Å; N167-L258 HydrophobicContact CB-CG 4.24Å; L258-P260 WeakPolarHBondContact O-CD 3.28Å; L258-Y409 HydrophobicContact CB-CD1 3.43Å; L258-Y409 VanDerWaalsContact CB-CD1 3.43Å; L258-Y409 HydrophobicContact CB-CE1 3.53Å; L258-Y409 HydrophobicContact CB-CG 4Å; L258-Y409 HydrophobicContact CD1-CD1 4.04Å; L258-Y409 HydrophobicContact CD1-CD2 3.94Å; L258-Y409 HydrophobicContact CD1-CE2 4.48Å; L258-Y409 HydrophobicContact CD1-CG 3.7Å; L258-Y409 HydrophobicContact CG-CD1 4.37Å
259A93.6Very high95.4Very high76 Ų7663.9 Ų63.963%0.62834%0.335SS*.PPolyproline II helixtrans-85.7118.1172.300000109.2
260P94.9Very high94.7Very high53 Ų5358.7 Ų58.734%0.34431%0.31SS..PPolyproline II helixtrans-71.1135.2-179.427.7-33.6000111.1L258 W342 I407 Y409L258-P260 WeakPolarHBondContact O-CD 3.28Å; P260-W342 HydrophobicContact CB-CH2 3.91Å; P260-W342 HydrophobicContact CB-CZ3 4.25Å; P260-W342 HydrophobicContact CG-CH2 3.98Å; P260-I407 HydrophobicContact CB-CG2 3.7Å; P260-Y409 HydrophobicContact CB-CD1 4.45Å; P260-Y409 HydrophobicContact CB-CE1 3.79Å
261Q96.9Very high93.5Very high62 Ų6263.1 Ų63.129%0.2933%0.327SS..EExtended strand (participates in β ladder)trans-93.9153.6168.7-66-177.869.800109.9I407 F408Q261-I407 WeakPolarHBondContact O-CA 3.3Å; Q261-F408 HydrophobicContact CB-CD1 4.07Å; Q261-F408 HydrophobicContact CB-CD2 4.21Å; Q261-F408 HydrophobicContact CB-CE1 3.58Å; Q261-F408 HydrophobicContact CB-CE2 3.74Å; Q261-F408 HydrophobicContact CB-CG 4.36Å; Q261-F408 HydrophobicContact CB-CZ 3.4Å; Q261-F408 VanDerWaalsContact CB-CZ 3.4Å; Q261-F408 HydrophobicContact CG-CE2 4.37Å; Q261-F408 HydrophobicContact CG-CZ 4.31Å; Q261-F408 PolarHBondContact N-O 2.91Å; Q261-F408 PolarHBondContact O-N 3.15Å
262R97.6Very high91.6Very high96 Ų9670.7 Ų70.736%0.36235%0.35SS..EExtended strand (participates in β ladder)trans-129.2109.2-175.5-65.5174.4-178.9-89.1-3.9110H264 C379 E405 I407R262-H264 PolarHBondContact O-N 3.21Å; R262-C379 VanDerWaalsContact C-SG 3.54Å; R262-C379 PolarHBondContact O-SG 2.9Å; R262-E405 WeakPolarHBondContact CD-OE2 3.21Å; R262-E405 IonicContact CZ-OE2 2.8Å; R262-E405 IonicContact NH1-OE2 2.63Å; R262-E405 PolarHBondContact NH1-OE2 2.95Å; R262-I407 HydrophobicContact CG-CG1 4.47Å
263C97.8Very high89.7Confident1 Ų171.3 Ų71.31%0.00736%0.36CS..EExtended strand (participates in β ladder)trans-85.398.1172.6177.10000109.1C379 F384 E405 L406 F408C263-C379 HydrophobicContact CB-CB 4Å; C263-F384 HydrophobicContact CB-CD1 4.4Å; C263-F384 HydrophobicContact CB-CD2 3.76Å; C263-F384 HydrophobicContact CB-CE1 4.36Å; C263-F384 HydrophobicContact CB-CE2 3.72Å; C263-F384 HydrophobicContact CB-CG 4.11Å; C263-F384 HydrophobicContact CB-CZ 4.04Å; C263-F384 WeakPolarHBondContact SG-CD2 3.38Å; C263-F384 VanDerWaalsContact SG-CG 3.53Å; C263-E405 VanDerWaalsContact O-CA 3.29Å; C263-E405 WeakPolarHBondContact O-CA 3.16Å; C263-L406 HydrophobicContact CB-CB 4.41Å; C263-L406 PolarHBondContact N-O 2.8Å; C263-L406 PolarHBondContact O-N 3.26Å; C263-L406 VanDerWaalsContact O-N 3.15Å; C263-F408 HydrophobicContact CB-CE1 4Å
264H97.3Very high87.8Confident63 Ų6372.3 Ų72.329%0.29236%0.362SS..EExtended strand (participates in β ladder)trans-88.7122.7178.5-163100.2000110.8R262 F266 M374 P404 E405R262-H264 PolarHBondContact O-N 3.21Å; H264-F266 PolarHBondContact CD2-O 2.9Å; H264-F266 PolarHBondContact NE2-O 3.24Å; H264-M374 WeakPolarHBondContact O-CE 3.27Å; H264-P404 CarbonylContact C-O 3.59Å; H264-P404 WeakPolarHBondContact CA-O 3.15Å; H264-E405 HydrophobicContact CB-CG 4.05Å; H264-E405 IonicContact CE1-OE1 3.58Å; H264-E405 VanDerWaalsContact ND1-CG 3.34Å; H264-E405 WeakPolarHBondContact ND1-CG 3.27Å; H264-E405 IonicContact ND1-OE1 2.86Å; H264-E405 PolarHBondContact ND1-OE1 2.95Å
265R96.8Very high86.6Confident2 Ų270.8 Ų70.81%0.00836%0.358CS..  trans-103.5-1.7-168.477.1-176.5-171.886.2-7.6116.5G373 M374 V377 F386 G397 V398 Q402 I403 P404R265-G373 WeakPolarHBondContact O-CA 3.28Å; R265-M374 PolarHBondContact O-N 3.08Å; R265-V377 HydrophobicContact CB-CG2 4.25Å; R265-F386 HydrophobicContact CB-CD2 4.3Å; R265-F386 HydrophobicContact CB-CE2 3.87Å; R265-F386 HydrophobicContact CB-CZ 4Å; R265-G397 PolarHBondContact NH1-O 2.82Å; R265-G397 PolarHBondContact NH2-O 2.98Å; R265-V398 PolarHBondContact NH1-O 2.71Å; R265-Q402 PolarHBondContact NH2-O 3.33Å; R265-I403 WeakPolarHBondContact CD-O 3.31Å; R265-I403 PolarHBondContact NE-O 3.15Å; R265-P404 PolarHBondContact N-O 2.87Å
266F96.5Very high85.9Confident7 Ų771 Ų713%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-115.7144.2-179.5-65.5-63.4000111.7H264 Y301 Q371 G373 G400 G401 P404H264-F266 PolarHBondContact CD2-O 2.9Å; H264-F266 PolarHBondContact NE2-O 3.24Å; F266-Y301 HydrophobicContact CD2-CE2 4.26Å; F266-Q371 WeakPolarHBondContact CB-O 3.49Å; F266-Q371 WeakPolarHBondContact CD1-O 3.42Å; F266-G373 VanDerWaalsContact CD1-CA 3.48Å; F266-G400 VanDerWaalsContact CE1-CA 3.46Å; F266-G401 VanDerWaalsContact CE2-O 3.3Å; F266-G401 WeakPolarHBondContact CE2-O 3.35Å; F266-G401 WeakPolarHBondContact CZ-O 3.43Å; F266-P404 HydrophobicContact CD2-CB 3.82Å; F266-P404 HydrophobicContact CE2-CB 4.23Å
267Q93.5Very high85.4Confident137 Ų13767 Ų6764%0.6434%0.338SS*.EExtended strand (participates in β ladder)trans-85.7-24.5176.7-62.6178.5-9.400112.3Q371 E372 M374Q267-Q371 PolarHBondContact N-O 3Å; Q267-E372 HydrophobicContact CB-CB 3.89Å; Q267-E372 HydrophobicContact CG-CB 4.39Å; Q267-E372 WeakPolarHBondContact CG-O 3.42Å; Q267-E372 PolarHBondContact N-O 2.85Å; Q267-M374 HydrophobicContact CG-CE 4.49Å; Q267-M374 HydrophobicContact CG-CG 4.34Å; Q267-M374 HydrophobicContact CG-SD 4.18Å
268S91.9Very high84.9Confident37 Ų3766.3 Ų66.326%0.25933%0.331SS..EExtended strand (participates in β ladder)trans-145.7163.9-179.258.40000112.3G370 Q371 E372S268-G370 WeakPolarHBondContact O-CA 3.41Å; S268-Q371 PolarHBondContact O-N 2.83Å; S268-E372 WeakPolarHBondContact CB-OE2 3.32Å; S268-E372 PolarHBondContact OG-OE2 3.22Å
269S89.3Confident84.4Confident42 Ų4272.1 Ų72.129%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-123.7147.417263.50000110.6S336 F369S269-S336 WeakPolarHBondContact OG-CB 3.47Å; S269-F369 CarbonylContact C-O 3.5Å; S269-F369 WeakPolarHBondContact CA-O 3.44Å
270A82.7Confident84Confident13 Ų1370.6 Ų70.611%0.10734%0.341CS..EExtended strand (participates in β ladder)trans-128.4157.5-178.100000111.9Y368 F369 Q371A270-Y368 WeakPolarHBondContact O-CA 3.46Å; A270-F369 HydrophobicContact CB-CE1 3.98Å; A270-F369 HydrophobicContact CB-CE2 4.48Å; A270-F369 HydrophobicContact CB-CZ 3.92Å; A270-F369 PolarHBondContact N-O 3.17Å; A270-F369 PolarHBondContact O-N 2.88Å; A270-Q371 VanDerWaalsContact CB-CD 3.4Å; A270-Q371 HydrophobicContact CB-CG 4.01Å; A270-Q371 VanDerWaalsContact CB-NE2 3.31Å
271Y71.5Confident83.9Confident103 Ų10375 Ų7540%0.40435%0.351SS..SBendtrans-146.37.6-173.169.5-73.7000116.1Y368Y271-Y368 HydrophobicContact CD1-CD1 4.45Å; Y271-Y368 AromaticContact CD1-CE1 3.86Å; Y271-Y368 HydrophobicContact CD1-CE1 3.86Å; Y271-Y368 HydrophobicContact CD2-CE1 4.42Å; Y271-Y368 HydrophobicContact CG-CD1 4.28Å; Y271-Y368 AromaticContact CG-CE1 3.71Å; Y271-Y368 HydrophobicContact CG-CE1 3.71Å
272R57.9Low83.8Confident202 Ų20273 Ų7376%0.76234%0.344SS*.SBendtrans-140.7-22.2-172.3-67.2-171.9175.6168.24118
273S55.5Low83.8Confident88 Ų8868.4 Ų68.462%0.61533%0.326SS*.SBendtrans-93-28.4-173.951.50000114.6
274N56.6Low83.8Confident116 Ų11668.4 Ų68.462%0.6233%0.326SS*.SBendtrans-136.3129.1174.1-79.9-30.9000108.7W276 F369N274-W276 PolarHBondContact O-N 3.36Å; N274-W276 VanDerWaalsContact O-N 3.15Å; N274-F369 HydrophobicContact CB-CE1 4.41Å; N274-F369 HydrophobicContact CB-CZ 4.02Å; N274-F369 WeakPolarHBondContact O-CE1 3.39Å
275Q71Confident83.8Confident123 Ų12365.4 Ų65.458%0.57531%0.312SS*.  trans-83.693.6-171.8-67.1177.38.600110.4R277 L366Q275-R277 PolarHBondContact O-N 2.97Å; Q275-L366 HydrophobicContact CB-CD2 3.83Å; Q275-L366 HydrophobicContact CG-CD2 4.12Å
276W81.4Confident83.9Confident31 Ų3167.7 Ų67.712%0.11732%0.323CS..EExtended strand (participates in β ladder)trans-69.7128168-148.3-77.9000109.5N274 Y278 D283 S367 F369 N394 G395 T396 Q402N274-W276 PolarHBondContact O-N 3.36Å; N274-W276 VanDerWaalsContact O-N 3.15Å; W276-Y278 AromaticContact CD1-CE1 3.88Å; W276-D283 WeakPolarHBondContact CZ2-OD1 3.21Å; W276-S367 PolarHBondContact O-N 3.37Å; W276-F369 HydrophobicContact CB-CB 4Å; W276-F369 HydrophobicContact CB-CD1 3.91Å; W276-F369 HydrophobicContact CB-CG 4.19Å; W276-F369 HydrophobicContact CD2-CB 3.73Å; W276-F369 HydrophobicContact CD2-CG 4.17Å; W276-F369 HydrophobicContact CE3-CB 3.53Å; W276-F369 HydrophobicContact CE3-CD1 4.18Å; W276-F369 AromaticContact CE3-CD2 3.7Å; W276-F369 HydrophobicContact CE3-CD2 3.7Å; W276-F369 HydrophobicContact CE3-CE2 4.46Å; W276-F369 AromaticContact CE3-CG 3.53Å; W276-F369 HydrophobicContact CE3-CG 3.53Å; W276-F369 HydrophobicContact CG-CB 3.94Å; W276-F369 HydrophobicContact CG-CG 4.46Å; W276-F369 HydrophobicContact CZ3-CB 4.29Å; W276-F369 HydrophobicContact CZ3-CD2 4.02Å; W276-F369 HydrophobicContact CZ3-CG 4.28Å; W276-N394 WeakPolarHBondContact CZ2-O 3.07Å; W276-N394 PolarHBondContact NE1-ND2 2.63Å; W276-G395 VanDerWaalsContact CH2-C 3.47Å; W276-T396 WeakPolarHBondContact CZ2-OG1 3.49Å; W276-Q402 HydrophobicContact CD2-CG 4.45Å; W276-Q402 HydrophobicContact CZ2-CG 4.06Å
277R83.3Confident84Confident95 Ų9567.4 Ų67.436%0.35832%0.322SS..EExtended strand (participates in β ladder)trans-133.4140-174.5-69.3174.4176-175.9-6.5109.6Q275 R279 L366 N394Q275-R277 PolarHBondContact O-N 2.97Å; R277-R279 HydrophobicContact CB-CG 4.24Å; R277-R279 PolarHBondContact O-N 3.31Å; R277-L366 HydrophobicContact CG-CD2 3.77Å; R277-N394 PolarHBondContact O-ND2 3.42Å
278Y83.6Confident84.3Confident1 Ų161 Ų610%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-9888175.9-60.1-47.5000109.9W276 Y301 Y310 L361 G363 S367 Q402W276-Y278 AromaticContact CD1-CE1 3.88Å; Y278-Y301 PolarHBondContact OH-O 3.48Å; Y278-Y310 AromaticContact CD2-CD1 3.69Å; Y278-Y310 HydrophobicContact CD2-CD1 3.69Å; Y278-Y310 AromaticContact CD2-CE1 3.3Å; Y278-Y310 HydrophobicContact CD2-CE1 3.3Å; Y278-Y310 HydrophobicContact CD2-CE2 4.47Å; Y278-Y310 HydrophobicContact CD2-CG 4.45Å; Y278-Y310 AromaticContact CD2-CZ 3.68Å; Y278-Y310 HydrophobicContact CE2-CD1 4.26Å; Y278-Y310 AromaticContact CE2-CE1 3.88Å; Y278-Y310 HydrophobicContact CE2-CE1 3.88Å; Y278-Y310 HydrophobicContact CE2-CE2 4.23Å; Y278-Y310 AromaticContact CE2-CZ 3.79Å; Y278-Y310 HydrophobicContact CG-CE1 4.34Å; Y278-L361 CarbonylContact C-O 3.52Å; Y278-L361 HydrophobicContact CD1-CB 3.48Å; Y278-L361 VanDerWaalsContact CD1-CB 3.48Å; Y278-L361 HydrophobicContact CD1-CD1 4.07Å; Y278-L361 HydrophobicContact CD1-CD2 4.04Å; Y278-L361 HydrophobicContact CD1-CG 4.06Å; Y278-L361 HydrophobicContact CD2-CB 4.22Å; Y278-L361 HydrophobicContact CD2-CD2 4.18Å; Y278-L361 HydrophobicContact CE1-CB 4.08Å; Y278-L361 HydrophobicContact CE1-CD1 3.93Å; Y278-L361 HydrophobicContact CE1-CD2 3.79Å; Y278-L361 HydrophobicContact CE1-CG 4.14Å; Y278-L361 HydrophobicContact CE2-CD2 3.9Å; Y278-L361 HydrophobicContact CG-CB 3.55Å; Y278-L361 HydrophobicContact CG-CD2 4.22Å; Y278-L361 HydrophobicContact CG-CG 4.4Å; Y278-G363 PolarHBondContact O-N 2.79Å; Y278-S367 WeakPolarHBondContact CE2-OG 3.49Å; Y278-S367 VanDerWaalsContact OH-CB 3.26Å; Y278-S367 WeakPolarHBondContact OH-CB 3.4Å; Y278-S367 PolarHBondContact OH-OG 2.97Å; Y278-S367 VanDerWaalsContact OH-OG 3.12Å; Y278-Q402 HydrophobicContact CE1-CG 3.93Å; Y278-Q402 PolarHBondContact OH-NE2 3.14Å; Y278-Q402 PolarHBondContact OH-OE1 3.42Å
279R83.6Confident84.6Confident167 Ų16759.4 Ų59.463%0.6328%0.281SS*.EExtended strand (participates in β ladder)trans-113.636.8-178.7-65.8-178.9171.7-167.1-8.6112R277 R281R277-R279 HydrophobicContact CB-CG 4.24Å; R277-R279 PolarHBondContact O-N 3.31Å; R279-R281 PolarHBondContact O-N 3.13Å
280G84.9Confident84.9Confident43 Ų4359.7 Ų59.744%0.44328%0.279SS..EExtended strand (participates in β ladder)trans67.415.4-17700000114.6V360 L361G280-V360 WeakPolarHBondContact O-CG1 3.31Å; G280-L361 WeakPolarHBondContact CA-O 3.3Å; G280-L361 PolarHBondContact N-O 2.83Å
281R91.9Very high85.5Confident146 Ų14663.7 Ų63.755%0.55129%0.292SS*.EExtended strand (participates in β ladder)trans-81.6154.8171.6-67-175.1178.8-174.7-2.1110.2R279 N394R279-R281 PolarHBondContact O-N 3.13Å; R281-N394 HydrophobicContact CB-CB 3.61Å
282C95.3Very high86.6Confident20 Ų2060.6 Ų60.614%0.13528%0.279CS..EExtended strand (participates in β ladder)trans-87.6121.1-175.9-174.80000111.2V360 D391 S392 T393 N394C282-V360 HydrophobicContact CB-CG2 4.18Å; C282-D391 WeakPolarHBondContact CB-O 3.13Å; C282-D391 PolarHBondContact SG-O 2.78Å; C282-D391 VanDerWaalsContact SG-O 3.36Å; C282-S392 CarbonylContact O-C 3.58Å; C282-S392 WeakPolarHBondContact O-CA 3.44Å; C282-S392 PolarHBondContact O-OG 3.34Å; C282-T393 WeakPolarHBondContact CB-OG1 3.48Å; C282-T393 PolarHBondContact N-OG1 3.37Å; C282-T393 PolarHBondContact O-N 3.04Å; C282-N394 PolarHBondContact O-N 3.1Å
283D97.1Very high88.4Confident0 Ų051 Ų510%024%0.243CC..EExtended strand (participates in β ladder)trans-90.8126.7163.2-75.1-60.8000108.6W276 S358 A359 N394 T396 Q402W276-D283 WeakPolarHBondContact CZ2-OD1 3.21Å; D283-S358 CarbonylContact O-C 3.58Å; D283-S358 WeakPolarHBondContact O-CA 3.39Å; D283-S358 WeakPolarHBondContact O-CB 3.37Å; D283-A359 WeakPolarHBondContact CB-O 3.26Å; D283-A359 PolarHBondContact N-O 3.06Å; D283-A359 PolarHBondContact O-N 3.27Å; D283-N394 WeakPolarHBondContact OD1-CB 3.44Å; D283-N394 PolarHBondContact OD2-ND2 3.13Å; D283-T396 WeakPolarHBondContact OD1-CB 3.29Å; D283-T396 PolarHBondContact OD1-OG1 2.62Å; D283-Q402 HydrophobicContact CB-CB 3.77Å; D283-Q402 HydrophobicContact CB-CG 4.41Å
284S97.9Very high90.5Very high0 Ų047.2 Ų47.20%022%0.215CC..EExtended strand (participates in β ladder)trans-149.2141.3-174.2-171.80000112.2T356 A357 S389 S392S284-T356 WeakPolarHBondContact OG-CG2 3.46Å; S284-A357 WeakPolarHBondContact CA-O 3.46Å; S284-A357 PolarHBondContact OG-O 3.37Å; S284-S389 WeakPolarHBondContact OG-CB 3.32Å; S284-S389 PolarHBondContact OG-OG 3.4Å; S284-S392 PolarHBondContact N-OG 2.98Å
285I98.4Very high92.4Very high0 Ų041.7 Ų41.70%019%0.186CC..EExtended strand (participates in β ladder)trans-141.9141.8177.7-167.571.8000109.7A357 F386 Q387 V398 I403I285-A357 HydrophobicContact CG2-CB 4.26Å; I285-A357 PolarHBondContact N-O 3.42Å; I285-A357 PolarHBondContact O-N 3.09Å; I285-F386 HydrophobicContact CG1-CD1 3.95Å; I285-Q387 WeakPolarHBondContact CD1-O 3.38Å; I285-V398 HydrophobicContact CD1-CG2 4.29Å; I285-I403 HydrophobicContact CG2-CB 4.31Å; I285-I403 HydrophobicContact CG2-CD1 4.18Å; I285-I403 HydrophobicContact CG2-CG2 4.08Å
286Q98.4Very high93.7Very high51 Ų5135.9 Ų35.924%0.23816%0.159CC..EExtended strand (participates in β ladder)trans-93.6143.5170.3-74.1-173.7-26.900110.5F354 Y355 F386 Q387Q286-F354 HydrophobicContact CB-CD1 4.19Å; Q286-Y355 CarbonylContact C-O 3.59Å; Q286-Y355 VanDerWaalsContact CA-O 3.23Å; Q286-Y355 WeakPolarHBondContact CA-O 3.33Å; Q286-F386 WeakPolarHBondContact O-CA 3.44Å; Q286-Q387 HydrophobicContact CB-CB 4.2Å; Q286-Q387 PolarHBondContact N-O 3.22Å; Q286-Q387 PolarHBondContact O-N 3.19Å
287F98.6Very high94.5Very high0 Ų034.4 Ų34.40%015%0.154CC..EExtended strand (participates in β ladder)trans-143.2154.3174.772.7-80.8000112.5V289 I295 L316 V349 F354 Y355 A357 F384 Q385 F386 L406F287-V289 HydrophobicContact CD2-CG1 4.38Å; F287-I295 HydrophobicContact CE2-CD1 3.92Å; F287-I295 HydrophobicContact CE2-CG1 4.1Å; F287-I295 HydrophobicContact CZ-CD1 4.04Å; F287-I295 HydrophobicContact CZ-CG1 3.86Å; F287-L316 HydrophobicContact CE1-CD1 3.66Å; F287-L316 HydrophobicContact CZ-CD1 3.79Å; F287-V349 HydrophobicContact CE2-CG1 4.13Å; F287-V349 HydrophobicContact CE2-CG2 4.44Å; F287-V349 HydrophobicContact CZ-CG2 4.32Å; F287-F354 CarbonylContact O-C 3.57Å; F287-F354 WeakPolarHBondContact O-CA 3.37Å; F287-Y355 PolarHBondContact N-O 3.41Å; F287-Y355 PolarHBondContact O-N 3.34Å; F287-A357 HydrophobicContact CD1-CB 4.33Å; F287-A357 HydrophobicContact CE1-CB 4.07Å; F287-F384 HydrophobicContact CD2-CD1 4.1Å; F287-F384 HydrophobicContact CD2-CE1 4.25Å; F287-Q385 CarbonylContact C-O 3.48Å; F287-Q385 WeakPolarHBondContact CA-O 3.18Å; F287-Q385 WeakPolarHBondContact CB-O 3.33Å; F287-F386 HydrophobicContact CB-CD1 3.85Å; F287-F386 HydrophobicContact CB-CE1 3.9Å; F287-L406 HydrophobicContact CB-CD1 3.98Å; F287-L406 HydrophobicContact CD1-CD1 3.71Å; F287-L406 HydrophobicContact CD2-CD1 3.61Å; F287-L406 HydrophobicContact CE1-CD1 4.1Å; F287-L406 HydrophobicContact CE1-CD2 4.5Å; F287-L406 HydrophobicContact CE2-CD1 4Å; F287-L406 HydrophobicContact CG-CD1 3.46Å; F287-L406 VanDerWaalsContact CG-CD1 3.46Å; F287-L406 HydrophobicContact CZ-CD1 4.24Å
288A98.4Very high95.3Very high4 Ų429.9 Ų29.93%0.03314%0.137CC..EExtended strand (participates in β ladder)trans-132160.8167.300000109.3F354 F384 Q385A288-F354 HydrophobicContact CB-CD1 3.93Å; A288-F354 HydrophobicContact CB-CD2 4.11Å; A288-F354 HydrophobicContact CB-CE1 3.8Å; A288-F354 HydrophobicContact CB-CE2 3.98Å; A288-F354 HydrophobicContact CB-CG 4.08Å; A288-F354 HydrophobicContact CB-CZ 3.81Å; A288-F384 WeakPolarHBondContact O-CA 3.3Å; A288-Q385 PolarHBondContact N-O 3.28Å; A288-Q385 PolarHBondContact O-N 3.29Å
289V98.3Very high95.9Very high3 Ų329.9 Ų29.92%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-129.6147.3-178.5-72.20000111F287 R291 V293 V349 Q351 D352 V382 A383 F384F287-V289 HydrophobicContact CD2-CG1 4.38Å; V289-R291 WeakPolarHBondContact CG2-O 3.47Å; V289-R291 PolarHBondContact O-N 3.08Å; V289-V293 HydrophobicContact CG1-CG2 4.2Å; V289-V293 HydrophobicContact CG2-CG2 4.19Å; V289-V349 HydrophobicContact CG2-CG1 3.56Å; V289-Q351 WeakPolarHBondContact O-CA 3.2Å; V289-D352 PolarHBondContact O-N 2.71Å; V289-V382 HydrophobicContact CB-CG1 4.09Å; V289-V382 HydrophobicContact CG1-CG1 3.96Å; V289-A383 VanDerWaalsContact CA-O 3.32Å; V289-A383 WeakPolarHBondContact CA-O 3.3Å; V289-F384 HydrophobicContact CG1-CD1 3.48Å; V289-F384 VanDerWaalsContact CG1-CD1 3.48Å; V289-F384 HydrophobicContact CG1-CD2 4.39Å; V289-F384 HydrophobicContact CG1-CE1 3.35Å; V289-F384 HydrophobicContact CG1-CE2 4.28Å; V289-F384 HydrophobicContact CG1-CG 4.02Å; V289-F384 HydrophobicContact CG1-CZ 3.77Å
290D97.4Very high96.6Very high47 Ų4721.9 Ų21.925%0.25111%0.106SC..SBendtrans-72.4-9.1178.675.6-41.7000114Q351 V382 A383D290-Q351 WeakPolarHBondContact O-CG 3.39Å; D290-Q351 PolarHBondContact O-NE2 2.81Å; D290-Q351 VanDerWaalsContact O-NE2 3.15Å; D290-Q351 PolarHBondContact O-OE1 3.18Å; D290-V382 WeakPolarHBondContact OD1-CA 3.27Å; D290-A383 HydrophobicContact CB-CB 4.06Å; D290-A383 PolarHBondContact N-O 3.29Å; D290-A383 VanDerWaalsContact N-O 3.1Å; D290-A383 PolarHBondContact OD1-N 2.92Å
291R95.1Very high97.1Very high98 Ų9820 Ų2037%0.379%0.086SC..SBendtrans-154.4160.8178.968.1-169.969.3-155.2-7.9111.2V289 V293 K381 V382V289-R291 WeakPolarHBondContact CG2-O 3.47Å; V289-R291 PolarHBondContact O-N 3.08Å; R291-V293 HydrophobicContact CG-CG1 4.3Å; R291-V293 PolarHBondContact O-N 3.17Å; R291-K381 PolarHBondContact NE-O 2.94Å; R291-K381 PolarHBondContact NH2-O 2.99Å; R291-V382 HydrophobicContact CG-CG1 4.35Å; R291-V382 HydrophobicContact CG-CG2 4.02Å
292R93.7Very high97.1Very high37 Ų3713.1 Ų13.114%0.146%0.06CC..  trans-57.3130.6174-177179.5-70.2178.80.5111.1Q348 V349 E350R292-Q348 HydrophobicContact CG-CG 3.89Å; R292-V349 WeakPolarHBondContact CA-O 3.32Å; R292-E350 IonicContact CZ-OE1 3.42Å; R292-E350 IonicContact CZ-OE2 3.35Å; R292-E350 IonicContact NE-OE1 2.88Å; R292-E350 IonicContact NE-OE2 3.25Å; R292-E350 PolarHBondContact NE-OE2 3.39Å; R292-E350 VanDerWaalsContact NE-OE2 3.11Å; R292-E350 IonicContact NH2-OE1 2.67Å; R292-E350 IonicContact NH2-OE2 3.55Å; R292-E350 PolarHBondContact NH2-OE2 2.56Å
293V96.7Very high96.9Very high0 Ų012.1 Ų12.10%05%0.053CC..EExtended strand (participates in β ladder)trans-140.6168174.4-58.10000110.3V289 R291 I295 V349 V382 F408 Y409 A410V289-V293 HydrophobicContact CG1-CG2 4.2Å; V289-V293 HydrophobicContact CG2-CG2 4.19Å; R291-V293 HydrophobicContact CG-CG1 4.3Å; R291-V293 PolarHBondContact O-N 3.17Å; V293-I295 HydrophobicContact CG2-CD1 4.1Å; V293-V349 HydrophobicContact CG2-CB 4.18Å; V293-V349 HydrophobicContact CG2-CG1 4.46Å; V293-V349 PolarHBondContact N-O 3.42Å; V293-V349 PolarHBondContact O-N 3.36Å; V293-V382 HydrophobicContact CG1-CB 4.49Å; V293-V382 HydrophobicContact CG1-CG1 3.9Å; V293-V382 HydrophobicContact CG1-CG2 3.74Å; V293-F408 HydrophobicContact CB-CD2 4.15Å; V293-F408 HydrophobicContact CG1-CD2 4.12Å; V293-F408 HydrophobicContact CG1-CE2 4.45Å; V293-Y409 WeakPolarHBondContact CB-O 3.17Å; V293-A410 HydrophobicContact CB-CB 4.44Å; V293-A410 HydrophobicContact CG1-CB 3.75Å
294F97.8Very high96.5Very high9 Ų913.4 Ų13.44%0.0396%0.062CC..EExtended strand (participates in β ladder)trans-110.7111.9171.3-63.6-94.5000110.3E134 V135 A138 Q139 A296 P346 V347 Q348 F408 Y409E134-F294 HydrophobicContact CB-CE2 4.18Å; V135-F294 HydrophobicContact CB-CZ 4.35Å; V135-F294 HydrophobicContact CG2-CE1 4.43Å; V135-F294 HydrophobicContact CG2-CZ 3.81Å; A138-F294 HydrophobicContact CB-CB 3.94Å; A138-F294 HydrophobicContact CB-CD1 3.6Å; A138-F294 HydrophobicContact CB-CD2 3.54Å; A138-F294 HydrophobicContact CB-CE1 3.94Å; A138-F294 HydrophobicContact CB-CE2 3.9Å; A138-F294 HydrophobicContact CB-CG 3.39Å; A138-F294 HydrophobicContact CB-CZ 4.09Å; Q139-F294 HydrophobicContact CG-CD1 4.12Å; Q139-F294 HydrophobicContact CG-CE1 4.06Å; F294-A296 PolarHBondContact O-N 3.08Å; F294-P346 HydrophobicContact CB-CB 3.84Å; F294-V347 CarbonylContact C-O 3.58Å; F294-V347 VanDerWaalsContact CA-O 3.32Å; F294-V347 WeakPolarHBondContact CA-O 3.33Å; F294-Q348 HydrophobicContact CD1-CB 4.03Å; F294-Q348 HydrophobicContact CE1-CB 3.75Å; F294-Q348 HydrophobicContact CE1-CG 4.13Å; F294-Q348 HydrophobicContact CZ-CB 4.46Å; F294-Q348 HydrophobicContact CZ-CG 4.36Å; F294-F408 CarbonylContact O-C 3.56Å; F294-F408 WeakPolarHBondContact O-CA 3.42Å; F294-F408 WeakPolarHBondContact O-CB 3.42Å; F294-Y409 HydrophobicContact CB-CD2 4.33Å; F294-Y409 PolarHBondContact N-O 2.85Å; F294-Y409 PolarHBondContact O-N 3.24Å
295I98.3Very high95.9Very high0 Ų016.9 Ų16.90%09%0.086CC..EExtended strand (participates in β ladder)trans-76.3116.2175-60.4-60.9000108.9F287 V293 L316 F343 P346 V347 V349 F384 F408F287-I295 HydrophobicContact CE2-CD1 3.92Å; F287-I295 HydrophobicContact CE2-CG1 4.1Å; F287-I295 HydrophobicContact CZ-CD1 4.04Å; F287-I295 HydrophobicContact CZ-CG1 3.86Å; V293-I295 HydrophobicContact CG2-CD1 4.1Å; I295-L316 HydrophobicContact CB-CD2 4.05Å; I295-L316 HydrophobicContact CG1-CD2 4.44Å; I295-L316 HydrophobicContact CG2-CD2 4.23Å; I295-F343 HydrophobicContact CG2-CD2 4.39Å; I295-F343 HydrophobicContact CG2-CE2 3.95Å; I295-P346 CarbonylContact O-C 3.51Å; I295-P346 VanDerWaalsContact O-CA 3.29Å; I295-P346 WeakPolarHBondContact O-CA 3.48Å; I295-V347 PolarHBondContact N-O 2.93Å; I295-V347 PolarHBondContact O-N 3.25Å; I295-V349 HydrophobicContact CB-CG2 4.38Å; I295-V349 HydrophobicContact CG1-CB 4.34Å; I295-V349 HydrophobicContact CG1-CG2 3.51Å; I295-F384 HydrophobicContact CD1-CE1 4.4Å; I295-F408 HydrophobicContact CD1-CB 3.9Å
296A97.9Very high95.3Very high2 Ų218.1 Ų18.12%0.01710%0.1CC..EExtended strand (participates in β ladder)trans-96.3-25-176.900000112.7F294 W342 F343 P346 I407 Y409F294-A296 PolarHBondContact O-N 3.08Å; A296-W342 HydrophobicContact CB-CE3 3.88Å; A296-W342 HydrophobicContact CB-CZ3 3.78Å; A296-W342 WeakPolarHBondContact O-CA 3.22Å; A296-F343 PolarHBondContact O-N 3.21Å; A296-P346 HydrophobicContact CB-CB 4.4Å; A296-P346 HydrophobicContact CB-CG 4.29Å; A296-I407 PolarHBondContact N-O 2.88Å; A296-Y409 HydrophobicContact CB-CD2 4.09Å; A296-Y409 HydrophobicContact CB-CE2 3.52Å
297G98.2Very high95.1Very high0 Ų024.1 Ų24.10%013%0.125CC..EExtended strand (participates in β ladder)trans176-173.7-17700000113.9V341 I407G297-V341 CarbonylContact C-O 3.6Å; G297-V341 WeakPolarHBondContact CA-O 3.37Å; G297-I407 PolarHBondContact N-O 2.96Å; G297-I407 PolarHBondContact O-N 2.95Å
298L98.6Very high94.7Very high0 Ų024.7 Ų24.70%013%0.13CC..EExtended strand (participates in β ladder)trans-119.4143.5176.7-51.1-179.2000109.2L300 I314 V341 A357 A359 I403 E405 L406L298-L300 HydrophobicContact CB-CD2 4.22Å; L298-L300 HydrophobicContact CB-CG 4.47Å; L298-I314 HydrophobicContact CD1-CB 4.07Å; L298-I314 HydrophobicContact CD1-CG2 3.85Å; L298-I314 HydrophobicContact CG-CG2 4.48Å; L298-V341 HydrophobicContact CB-CG2 4.08Å; L298-V341 PolarHBondContact N-O 2.69Å; L298-V341 VanDerWaalsContact O-CG2 3.3Å; L298-V341 WeakPolarHBondContact O-CG2 3.15Å; L298-V341 PolarHBondContact O-N 3.43Å; L298-A357 HydrophobicContact CD2-CB 3.9Å; L298-A359 HydrophobicContact CD1-CB 4.42Å; L298-I403 HydrophobicContact CD1-CD1 4.45Å; L298-I403 HydrophobicContact CD1-CG1 4.4Å; L298-I403 HydrophobicContact CD1-CG2 4.39Å; L298-I403 HydrophobicContact CD2-CG2 4.12Å; L298-E405 WeakPolarHBondContact CA-O 3.48Å; L298-L406 HydrophobicContact CD2-CD2 3.53Å
299G97.9Very high94.4Very high0 Ų029.4 Ų29.40%015%0.151CC..EExtended strand (participates in β ladder)trans-94.5131.3161.100000108.9P404 E405G299-P404 WeakPolarHBondContact O-CD 3.47Å; G299-P404 VanDerWaalsContact O-CG 3.28Å; G299-P404 WeakPolarHBondContact O-CG 3.37Å; G299-E405 PolarHBondContact N-O 2.93Å; G299-E405 PolarHBondContact O-N 2.9Å
300L96.8Very high94.1Very high0 Ų029.3 Ų29.30%015%0.15CC..EExtended strand (participates in β ladder)trans-119.8148.1-176.4-59.4177.7000110.3L298 V312 I314 F330 T338 F339 V341 A359 L361 I403L298-L300 HydrophobicContact CB-CD2 4.22Å; L298-L300 HydrophobicContact CB-CG 4.47Å; L300-V312 HydrophobicContact CD1-CG2 3.75Å; L300-I314 HydrophobicContact CD1-CG2 4.44Å; L300-F330 HydrophobicContact CB-CE1 4.48Å; L300-F330 HydrophobicContact CB-CZ 4.28Å; L300-F330 HydrophobicContact CD1-CE1 4.18Å; L300-T338 CarbonylContact O-C 3.59Å; L300-T338 WeakPolarHBondContact O-CA 3.48Å; L300-F339 PolarHBondContact N-O 3.24Å; L300-F339 PolarHBondContact O-N 3.02Å; L300-V341 HydrophobicContact CD1-CG1 4.38Å; L300-V341 HydrophobicContact CD1-CG2 3.53Å; L300-V341 HydrophobicContact CG-CG2 3.91Å; L300-A359 HydrophobicContact CD1-CB 4.29Å; L300-A359 HydrophobicContact CD2-CB 4.02Å; L300-L361 HydrophobicContact CD1-CD1 4.34Å; L300-L361 HydrophobicContact CD1-CD2 4.15Å; L300-L361 HydrophobicContact CD1-CG 4.45Å; L300-I403 HydrophobicContact CD2-CG1 3.95Å
301Y95.3Very high94Very high4 Ų429.3 Ų29.32%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-73.2157168.7-75.4-61.2000110.5F266 Y278 S336 T338 Y368 P404F266-Y301 HydrophobicContact CD2-CE2 4.26Å; Y278-Y301 PolarHBondContact OH-O 3.48Å; Y301-S336 WeakPolarHBondContact CE1-O 3.25Å; Y301-T338 HydrophobicContact CD1-CG2 4.36Å; Y301-T338 HydrophobicContact CE1-CG2 4.05Å; Y301-Y368 WeakPolarHBondContact CB-O 3.37Å; Y301-P404 HydrophobicContact CD1-CG 4.48Å; Y301-P404 HydrophobicContact CD2-CB 4.15Å; Y301-P404 HydrophobicContact CD2-CG 3.72Å; Y301-P404 HydrophobicContact CE1-CG 4.41Å; Y301-P404 HydrophobicContact CE2-CB 3.53Å; Y301-P404 HydrophobicContact CE2-CG 3.64Å; Y301-P404 HydrophobicContact CG-CG 4.15Å
302G92.8Very high94Very high0 Ų024.6 Ų24.60%014%0.136CC..  trans-118.9-16417900000112.7S367 Y368G302-S367 CarbonylContact O-C 3.49Å; G302-S367 WeakPolarHBondContact O-CA 3.36Å; G302-S367 VanDerWaalsContact O-CB 3.22Å; G302-S367 WeakPolarHBondContact O-CB 3.14Å; G302-Y368 PolarHBondContact O-N 2.97Å
303S91.5Very high94.2Very high0 Ų026.4 Ų26.40%015%0.145CC..BIsolated β-bridgetrans-62.8144.9-178.2174.60000112.1S305 G306 Y310 S332 G334 L366 Y368S303-S305 PolarHBondContact OG-N 3.01Å; S303-S305 VanDerWaalsContact OG-N 3.09Å; S303-S305 PolarHBondContact OG-OG 3.34Å; S303-G306 WeakPolarHBondContact CB-O 3.48Å; S303-G306 PolarHBondContact OG-N 3.45Å; S303-G306 PolarHBondContact OG-O 3.49Å; S303-G306 VanDerWaalsContact OG-O 3.1Å; S303-Y310 VanDerWaalsContact CA-OH 3.28Å; S303-Y310 WeakPolarHBondContact CA-OH 3.17Å; S303-Y310 VanDerWaalsContact CB-OH 3.32Å; S303-Y310 WeakPolarHBondContact CB-OH 3.06Å; S303-Y310 PolarHBondContact N-OH 3.3Å; S303-S332 WeakPolarHBondContact CB-OG 3.24Å; S303-S332 PolarHBondContact N-OG 3.47Å; S303-G334 CarbonylContact O-C 3.48Å; S303-G334 VanDerWaalsContact O-CA 3.27Å; S303-G334 WeakPolarHBondContact O-CA 3.23Å; S303-L366 CarbonylContact C-O 3.58Å; S303-L366 WeakPolarHBondContact CA-O 3.41Å; S303-Y368 WeakPolarHBondContact O-CD2 3.49Å; S303-Y368 VanDerWaalsContact O-CE2 3.3Å; S303-Y368 WeakPolarHBondContact O-CE2 3.36Å
304S88.3Confident94.2Very high26 Ų2626.4 Ų26.418%0.18215%0.145CC..SBendtrans-100.8-8.7172.962.20000113.7L366 Y368S304-L366 PolarHBondContact N-O 3.4Å; S304-L366 WeakPolarHBondContact OG-CB 3.38Å; S304-L366 PolarHBondContact OG-O 3.41Å; S304-Y368 VanDerWaalsContact CA-CE2 3.43Å
305S85.8Confident94.3Very high73 Ų7327.2 Ų27.251%0.5115%0.149SC..SBendtrans-101-13.7-177.651.40000113.4S303 E365S303-S305 PolarHBondContact OG-N 3.01Å; S303-S305 VanDerWaalsContact OG-N 3.09Å; S303-S305 PolarHBondContact OG-OG 3.34Å; S305-E365 PolarHBondContact OG-OE2 2.9Å
306G86.5Confident94.3Very high27 Ų2727.2 Ų27.228%0.27815%0.149SC..SBendtrans150.7-16117900000112.3S303 A308 G334S303-G306 WeakPolarHBondContact CB-O 3.48Å; S303-G306 PolarHBondContact OG-N 3.45Å; S303-G306 PolarHBondContact OG-O 3.49Å; S303-G306 VanDerWaalsContact OG-O 3.1Å; G306-A308 PolarHBondContact O-N 3.44Å; G306-G334 WeakPolarHBondContact O-CA 3.4Å; G306-G334 PolarHBondContact O-N 3.47Å
307K92.6Very high94.3Very high177 Ų17728.4 Ų28.477%0.7715%0.154SC*.  trans-66.9128.6176.5-68.3-175.3174.4-178.10110.6S332K307-S332 VanDerWaalsContact CA-O 3.29Å; K307-S332 WeakPolarHBondContact CA-O 3.44Å
308A91.6Very high94.2Very high12 Ų1233.1 Ų33.110%0.09917%0.172CC..EExtended strand (participates in β ladder)trans-147.714317700000111.4G306 Y310 S332 E365G306-A308 PolarHBondContact O-N 3.44Å; A308-Y310 HydrophobicContact CB-CE2 4.12Å; A308-S332 PolarHBondContact N-O 3.15Å; A308-S332 PolarHBondContact N-OG 2.92Å; A308-S332 PolarHBondContact O-N 3.37Å; A308-S332 PolarHBondContact O-OG 2.89Å; A308-E365 HydrophobicContact CB-CB 4.3Å; A308-E365 HydrophobicContact CB-CG 3.83Å
309E92.5Very high94Very high102 Ų10241 Ų4148%0.47721%0.212SC..EExtended strand (participates in β ladder)trans-89.1134.8168.7-169.6176.9-105.700109.5K329 M331E309-K329 HydrophobicContact CG-CB 4.39Å; E309-K329 HydrophobicContact CG-CD 4.43Å; E309-K329 IonicContact OE2-NZ 2.79Å; E309-K329 PolarHBondContact OE2-NZ 2.88Å; E309-M331 HydrophobicContact CB-CE 4.36Å; E309-M331 HydrophobicContact CB-SD 3.44Å; E309-M331 WeakPolarHBondContact CB-SD 3.45Å; E309-M331 HydrophobicContact CG-SD 3.66Å
310Y91.7Very high93.7Very high1 Ų143.7 Ų43.70%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-117.1138171.5-67.6-72.7000110.6Y278 S303 A308 K329 F330 S332 E365Y278-Y310 AromaticContact CD2-CD1 3.69Å; Y278-Y310 HydrophobicContact CD2-CD1 3.69Å; Y278-Y310 AromaticContact CD2-CE1 3.3Å; Y278-Y310 HydrophobicContact CD2-CE1 3.3Å; Y278-Y310 HydrophobicContact CD2-CE2 4.47Å; Y278-Y310 HydrophobicContact CD2-CG 4.45Å; Y278-Y310 AromaticContact CD2-CZ 3.68Å; Y278-Y310 HydrophobicContact CE2-CD1 4.26Å; Y278-Y310 AromaticContact CE2-CE1 3.88Å; Y278-Y310 HydrophobicContact CE2-CE1 3.88Å; Y278-Y310 HydrophobicContact CE2-CE2 4.23Å; Y278-Y310 AromaticContact CE2-CZ 3.79Å; Y278-Y310 HydrophobicContact CG-CE1 4.34Å; S303-Y310 VanDerWaalsContact CA-OH 3.28Å; S303-Y310 WeakPolarHBondContact CA-OH 3.17Å; S303-Y310 VanDerWaalsContact CB-OH 3.32Å; S303-Y310 WeakPolarHBondContact CB-OH 3.06Å; S303-Y310 PolarHBondContact N-OH 3.3Å; A308-Y310 HydrophobicContact CB-CE2 4.12Å; Y310-K329 WeakPolarHBondContact O-CA 3.46Å; Y310-F330 HydrophobicContact CD2-CE1 4.3Å; Y310-F330 AromaticContact CD2-CE2 3.82Å; Y310-F330 HydrophobicContact CD2-CE2 3.82Å; Y310-F330 AromaticContact CD2-CZ 3.65Å; Y310-F330 HydrophobicContact CD2-CZ 3.65Å; Y310-F330 HydrophobicContact CG-CE1 4.32Å; Y310-F330 HydrophobicContact CG-CZ 4.07Å; Y310-F330 PolarHBondContact N-O 2.67Å; Y310-F330 PolarHBondContact O-N 2.8Å; Y310-F330 VanDerWaalsContact O-N 3.09Å; Y310-S332 WeakPolarHBondContact CE2-OG 3.48Å; Y310-E365 PolarHBondContact OH-O 3.05Å
311S93.8Very high93.7Very high47 Ų4748.3 Ų48.333%0.32927%0.269SS..EExtended strand (participates in β ladder)trans-90133.3162.3-60.50000108.4D362S311-D362 PolarHBondContact N-O 2.84Å; S311-D362 PolarHBondContact O-N 3.2Å
312V95.7Very high93.8Very high0 Ų051.1 Ų51.10%029%0.286CS..EExtended strand (participates in β ladder)trans-139.7132.3-17657.90000111.9L300 I314 L327 T328 F330 V341 A359 V360 L361L300-V312 HydrophobicContact CD1-CG2 3.75Å; V312-I314 HydrophobicContact CG2-CG2 3.82Å; V312-L327 WeakPolarHBondContact O-CA 3.5Å; V312-T328 HydrophobicContact CG1-CG2 3.91Å; V312-T328 PolarHBondContact N-O 2.81Å; V312-T328 PolarHBondContact O-N 3Å; V312-F330 HydrophobicContact CB-CE1 4.44Å; V312-F330 HydrophobicContact CG1-CD1 3.83Å; V312-F330 HydrophobicContact CG1-CE1 4.12Å; V312-V341 HydrophobicContact CG1-CG1 3.94Å; V312-A359 HydrophobicContact CG2-CB 4.31Å; V312-V360 WeakPolarHBondContact CA-O 3.25Å; V312-L361 HydrophobicContact CB-CG 4.09Å; V312-L361 HydrophobicContact CG2-CD1 4.27Å; V312-L361 HydrophobicContact CG2-CD2 4.48Å; V312-L361 HydrophobicContact CG2-CG 3.79Å
313K97.6Very high94Very high75 Ų7554.8 Ų54.833%0.32631%0.305SS..EExtended strand (participates in β ladder)trans-99.7118164.2-167.4-172.2-172.3-164.20108.9E315 Q325 N326 L327 A359 V360K313-E315 WeakPolarHBondContact CE-OE1 3.49Å; K313-E315 IonicContact NZ-OE1 3.51Å; K313-E315 PolarHBondContact NZ-OE1 3.44Å; K313-Q325 VanDerWaalsContact NZ-OE1 3.16Å; K313-N326 CarbonylContact C-O 3.51Å; K313-N326 WeakPolarHBondContact CA-O 3.49Å; K313-L327 HydrophobicContact CB-CD1 4.05Å; K313-A359 CarbonylContact O-C 3.59Å; K313-A359 WeakPolarHBondContact O-CA 3.39Å; K313-V360 HydrophobicContact CB-CB 4.42Å; K313-V360 PolarHBondContact N-O 2.96Å; K313-V360 PolarHBondContact O-N 3.46Å
314I98.3Very high94.2Very high0 Ų055.6 Ų55.60%031%0.312CS..EExtended strand (participates in β ladder)trans-103.5145.7169.762173.1000110.4L298 L300 V312 Q325 N326 V341 F343 S358 A359L298-I314 HydrophobicContact CD1-CB 4.07Å; L298-I314 HydrophobicContact CD1-CG2 3.85Å; L298-I314 HydrophobicContact CG-CG2 4.48Å; L300-I314 HydrophobicContact CD1-CG2 4.44Å; V312-I314 HydrophobicContact CG2-CG2 3.82Å; I314-Q325 CarbonylContact O-C 3.59Å; I314-Q325 WeakPolarHBondContact O-CA 3.49Å; I314-Q325 WeakPolarHBondContact O-CB 3.41Å; I314-N326 HydrophobicContact CD1-CB 4.34Å; I314-N326 HydrophobicContact CG1-CB 3.98Å; I314-N326 PolarHBondContact N-O 2.98Å; I314-N326 PolarHBondContact O-N 3.15Å; I314-V341 HydrophobicContact CD1-CB 4.4Å; I314-V341 HydrophobicContact CD1-CG2 4.13Å; I314-V341 HydrophobicContact CG2-CG2 3.66Å; I314-F343 HydrophobicContact CB-CE1 4.23Å; I314-F343 HydrophobicContact CB-CZ 4.46Å; I314-F343 HydrophobicContact CD1-CD1 3.82Å; I314-F343 HydrophobicContact CD1-CD2 4.45Å; I314-F343 HydrophobicContact CD1-CE1 3.69Å; I314-F343 HydrophobicContact CD1-CE2 4.33Å; I314-F343 HydrophobicContact CD1-CG 4.2Å; I314-F343 HydrophobicContact CD1-CZ 3.95Å; I314-F343 HydrophobicContact CG1-CD1 4.05Å; I314-F343 HydrophobicContact CG1-CE1 3.68Å; I314-F343 HydrophobicContact CG1-CZ 4.22Å; I314-S358 CarbonylContact C-O 3.56Å; I314-S358 WeakPolarHBondContact CA-O 3.34Å; I314-A359 HydrophobicContact CG2-CB 4.2Å
315E98.5Very high94.7Very high25 Ų2559.4 Ų59.412%0.11733%0.327CS..EExtended strand (participates in β ladder)trans-139.2142.4174.7-56.2176.8148.400109.9K313 K317 A324 Q325 S358K313-E315 WeakPolarHBondContact CE-OE1 3.49Å; K313-E315 IonicContact NZ-OE1 3.51Å; K313-E315 PolarHBondContact NZ-OE1 3.44Å; E315-K317 HydrophobicContact CB-CG 4.45Å; E315-K317 WeakPolarHBondContact OE2-CE 3.44Å; E315-K317 IonicContact OE2-NZ 3.64Å; E315-K317 PolarHBondContact OE2-NZ 2.95Å; E315-A324 CarbonylContact C-O 3.54Å; E315-A324 WeakPolarHBondContact CA-O 3.48Å; E315-Q325 HydrophobicContact CG-CB 3.95Å; E315-S358 PolarHBondContact N-O 3.18Å; E315-S358 PolarHBondContact O-N 2.92Å
316L98.6Very high95.3Very high0 Ų058.2 Ų58.20%032%0.315CS..EExtended strand (participates in β ladder)trans-114.6127.9165.8-176.767.8000108.4F287 I295 L323 A324 F343 V347 V349 T356F287-L316 HydrophobicContact CE1-CD1 3.66Å; F287-L316 HydrophobicContact CZ-CD1 3.79Å; I295-L316 HydrophobicContact CB-CD2 4.05Å; I295-L316 HydrophobicContact CG1-CD2 4.44Å; I295-L316 HydrophobicContact CG2-CD2 4.23Å; L316-L323 PolarHBondContact O-N 3.19Å; L316-A324 PolarHBondContact N-O 2.82Å; L316-A324 PolarHBondContact O-N 2.87Å; L316-F343 HydrophobicContact CB-CE1 4.19Å; L316-F343 HydrophobicContact CB-CE2 4.15Å; L316-F343 HydrophobicContact CB-CZ 3.67Å; L316-V347 HydrophobicContact CD2-CB 3.64Å; L316-V347 HydrophobicContact CD2-CG1 3.77Å; L316-V347 HydrophobicContact CD2-CG2 4.04Å; L316-V349 HydrophobicContact CD2-CG2 4.28Å; L316-T356 WeakPolarHBondContact CA-O 3.48Å
317K98.1Very high95.7Very high27 Ų2763.3 Ų63.312%0.11734%0.335CS..EExtended strand (participates in β ladder)trans-128.5153.1-173.6-50.4174.3-172.91690112.2E315 V321 V322 Y355 T356 D391E315-K317 HydrophobicContact CB-CG 4.45Å; E315-K317 WeakPolarHBondContact OE2-CE 3.44Å; E315-K317 IonicContact OE2-NZ 3.64Å; E315-K317 PolarHBondContact OE2-NZ 2.95Å; K317-V321 CarbonylContact C-O 3.53Å; K317-V321 WeakPolarHBondContact CA-O 3.41Å; K317-V321 WeakPolarHBondContact CB-O 3.43Å; K317-V322 HydrophobicContact CD-CG2 4.4Å; K317-V322 HydrophobicContact CG-CG2 4.14Å; K317-Y355 CarbonylContact O-C 3.48Å; K317-Y355 VanDerWaalsContact O-CA 3.31Å; K317-Y355 WeakPolarHBondContact O-CA 3.47Å; K317-T356 PolarHBondContact N-O 3.21Å; K317-T356 PolarHBondContact O-N 2.91Å; K317-D391 IonicContact NZ-OD2 3.77Å
318R96.6Very high95.9Very high100 Ų10057.2 Ų57.238%0.37731%0.313SS..EExtended strand (participates in β ladder)trans-130.9124.3167.4-178.2179.7-178.5-173.95108.7G320 V321 L323 Y355R318-G320 PolarHBondContact O-N 2.79Å; R318-G320 VanDerWaalsContact O-N 3.14Å; R318-V321 PolarHBondContact N-O 2.99Å; R318-V321 WeakPolarHBondContact O-CB 3.43Å; R318-V321 PolarHBondContact O-N 3.35Å; R318-L323 HydrophobicContact CB-CD1 3.8Å; R318-L323 HydrophobicContact CB-CG 4.27Å; R318-Y355 HydrophobicContact CB-CD1 3.95Å; R318-Y355 HydrophobicContact CB-CE1 3.99Å; R318-Y355 HydrophobicContact CG-CD1 4.49Å; R318-Y355 HydrophobicContact CG-CE1 4.29Å
319L93.6Very high96Very high164 Ų16462.2 Ų62.286%0.85933%0.332SS*.THydrogen-bonded Turntrans50.338.9-178.5-57174.4000113V321L319-V321 VanDerWaalsContact C-N 3.26Å; L319-V321 PolarHBondContact O-N 3.44Å
320G90.9Very high96.1Very high58 Ų5858.1 Ų58.160%0.59831%0.313SS*.THydrogen-bonded Turntrans81.8-12.4-178.400000115.6R318R318-G320 PolarHBondContact O-N 2.79Å; R318-G320 VanDerWaalsContact O-N 3.14Å
321V96.7Very high96.2Very high96 Ų9663.4 Ų63.458%0.58234%0.339SS*.EExtended strand (participates in β ladder)trans-82.2127.6176.6-176.80000109.9K317 R318 L319 L323K317-V321 CarbonylContact C-O 3.53Å; K317-V321 WeakPolarHBondContact CA-O 3.41Å; K317-V321 WeakPolarHBondContact CB-O 3.43Å; R318-V321 PolarHBondContact N-O 2.99Å; R318-V321 WeakPolarHBondContact O-CB 3.43Å; R318-V321 PolarHBondContact O-N 3.35Å; L319-V321 VanDerWaalsContact C-N 3.26Å; L319-V321 PolarHBondContact O-N 3.44Å; V321-L323 PolarHBondContact O-N 3.12Å
322V97.6Very high96.2Very high63 Ų6361.3 Ų61.338%0.38232%0.324SS..EExtended strand (participates in β ladder)trans-74.1118.5176.2-178.50000109.4K317 A324 Q325K317-V322 HydrophobicContact CD-CG2 4.4Å; K317-V322 HydrophobicContact CG-CG2 4.14Å; V322-A324 WeakPolarHBondContact CG1-O 3.31Å; V322-Q325 HydrophobicContact CG1-CB 4.1Å; V322-Q325 HydrophobicContact CG1-CG 4.47Å
323L97.1Very high96Very high78 Ų7865.1 Ų65.141%0.40835%0.345SS..EExtended strand (participates in β ladder)trans-91.5-36.3177.2-58.2-178.6000112L316 R318 V321 V347 Y355L316-L323 PolarHBondContact O-N 3.19Å; R318-L323 HydrophobicContact CB-CD1 3.8Å; R318-L323 HydrophobicContact CB-CG 4.27Å; V321-L323 PolarHBondContact O-N 3.12Å; L323-V347 HydrophobicContact CB-CG1 4.07Å; L323-V347 HydrophobicContact CD1-CG1 4.21Å; L323-Y355 HydrophobicContact CD1-CD1 3.78Å; L323-Y355 HydrophobicContact CD1-CE1 3.49Å; L323-Y355 VanDerWaalsContact CD1-CE1 3.49Å
324A97.3Very high95.6Very high17 Ų1762.4 Ų62.414%0.1434%0.338CS..EExtended strand (participates in β ladder)trans-148.9151.5171.300000110.3E315 L316 V322 F343 V347E315-A324 CarbonylContact C-O 3.54Å; E315-A324 WeakPolarHBondContact CA-O 3.48Å; L316-A324 PolarHBondContact N-O 2.82Å; L316-A324 PolarHBondContact O-N 2.87Å; V322-A324 WeakPolarHBondContact CG1-O 3.31Å; A324-F343 HydrophobicContact CB-CB 4.37Å; A324-F343 HydrophobicContact CB-CD1 3.64Å; A324-F343 HydrophobicContact CB-CE1 4.13Å; A324-F343 HydrophobicContact CB-CG 4.04Å; A324-V347 HydrophobicContact CB-CG2 3.37Å
325Q97.7Very high95.3Very high105 Ų10563.9 Ų63.949%0.49135%0.348SS..EExtended strand (participates in β ladder)trans-144.8154.6171.263.11762.500110K313 I314 E315 V322K313-Q325 VanDerWaalsContact NZ-OE1 3.16Å; I314-Q325 CarbonylContact O-C 3.59Å; I314-Q325 WeakPolarHBondContact O-CA 3.49Å; I314-Q325 WeakPolarHBondContact O-CB 3.41Å; E315-Q325 HydrophobicContact CG-CB 3.95Å; V322-Q325 HydrophobicContact CG1-CB 4.1Å; V322-Q325 HydrophobicContact CG1-CG 4.47Å
326N97.6Very high95Very high49 Ų4965.3 Ų65.326%0.26236%0.361SS..EExtended strand (participates in β ladder)trans-146137167.8-164.82.5000109.8K313 I314 W342K313-N326 CarbonylContact C-O 3.51Å; K313-N326 WeakPolarHBondContact CA-O 3.49Å; I314-N326 HydrophobicContact CD1-CB 4.34Å; I314-N326 HydrophobicContact CG1-CB 3.98Å; I314-N326 PolarHBondContact N-O 2.98Å; I314-N326 PolarHBondContact O-N 3.15Å; N326-W342 PolarHBondContact ND2-O 2.82Å
327L96.6Very high94.8Very high133 Ų13369.8 Ų69.870%0.69639%0.385SS*.EExtended strand (participates in β ladder)trans-107108.5170.7178.465.7000107.4V312 K313V312-L327 WeakPolarHBondContact O-CA 3.5Å; K313-L327 HydrophobicContact CB-CD1 4.05Å
328T95.4Very high94.7Very high49 Ų4969.9 Ų69.930%0.30139%0.388SS..EExtended strand (participates in β ladder)trans-140.7-180-172.4-1670000111.4V312 V341V312-T328 HydrophobicContact CG1-CG2 3.91Å; V312-T328 PolarHBondContact N-O 2.81Å; V312-T328 PolarHBondContact O-N 3Å; T328-V341 HydrophobicContact CG2-CB 4.24Å; T328-V341 HydrophobicContact CG2-CG1 4.18Å
329K94.4Very high94.7Very high117 Ų11766.3 Ų66.351%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-125.2149.3175.7-67.1176.6164.7-154.40110.3E309 Y310E309-K329 HydrophobicContact CG-CB 4.39Å; E309-K329 HydrophobicContact CG-CD 4.43Å; E309-K329 IonicContact OE2-NZ 2.79Å; E309-K329 PolarHBondContact OE2-NZ 2.88Å; Y310-K329 WeakPolarHBondContact O-CA 3.46Å
330F94.4Very high94.8Very high16 Ų1660.8 Ų60.87%0.0735%0.349CS..EExtended strand (participates in β ladder)trans-137.9152.2168.474.2-86.9000111.1L300 Y310 V312 F339 V341 L361L300-F330 HydrophobicContact CB-CE1 4.48Å; L300-F330 HydrophobicContact CB-CZ 4.28Å; L300-F330 HydrophobicContact CD1-CE1 4.18Å; Y310-F330 HydrophobicContact CD2-CE1 4.3Å; Y310-F330 AromaticContact CD2-CE2 3.82Å; Y310-F330 HydrophobicContact CD2-CE2 3.82Å; Y310-F330 AromaticContact CD2-CZ 3.65Å; Y310-F330 HydrophobicContact CD2-CZ 3.65Å; Y310-F330 HydrophobicContact CG-CE1 4.32Å; Y310-F330 HydrophobicContact CG-CZ 4.07Å; Y310-F330 PolarHBondContact N-O 2.67Å; Y310-F330 PolarHBondContact O-N 2.8Å; Y310-F330 VanDerWaalsContact O-N 3.09Å; V312-F330 HydrophobicContact CB-CE1 4.44Å; V312-F330 HydrophobicContact CG1-CD1 3.83Å; V312-F330 HydrophobicContact CG1-CE1 4.12Å; F330-F339 HydrophobicContact CD2-CB 3.37Å; F330-F339 HydrophobicContact CD2-CD2 4.23Å; F330-F339 AromaticContact CD2-CG 3.78Å; F330-F339 HydrophobicContact CD2-CG 3.78Å; F330-F339 HydrophobicContact CE2-CB 3.66Å; F330-F339 AromaticContact CE2-CD2 3.85Å; F330-F339 HydrophobicContact CE2-CD2 3.85Å; F330-F339 AromaticContact CE2-CG 3.88Å; F330-F339 HydrophobicContact CE2-CG 3.88Å; F330-F339 HydrophobicContact CG-CB 4.2Å; F330-V341 HydrophobicContact CB-CG1 4.09Å; F330-V341 HydrophobicContact CD1-CG1 3.77Å; F330-V341 HydrophobicContact CG-CG1 4.17Å; F330-L361 HydrophobicContact CE1-CD2 3.74Å; F330-L361 HydrophobicContact CZ-CD2 3.9Å
331M93.8Very high95.1Very high113 Ų11358.2 Ų58.256%0.55732%0.322SS*.EExtended strand (participates in β ladder)trans-98.6121.1176.3-68-60.7-62.100109.4E309 F339E309-M331 HydrophobicContact CB-CE 4.36Å; E309-M331 HydrophobicContact CB-SD 3.44Å; E309-M331 WeakPolarHBondContact CB-SD 3.45Å; E309-M331 HydrophobicContact CG-SD 3.66Å; M331-F339 VanDerWaalsContact O-CD1 3.3Å; M331-F339 WeakPolarHBondContact O-CD1 3.45Å
332S93Very high95.2Very high3 Ų358.1 Ų58.12%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-89.6147.3167.166.40000110.7S303 K307 A308 Y310S303-S332 WeakPolarHBondContact CB-OG 3.24Å; S303-S332 PolarHBondContact N-OG 3.47Å; K307-S332 VanDerWaalsContact CA-O 3.29Å; K307-S332 WeakPolarHBondContact CA-O 3.44Å; A308-S332 PolarHBondContact N-O 3.15Å; A308-S332 PolarHBondContact N-OG 2.92Å; A308-S332 PolarHBondContact O-N 3.37Å; A308-S332 PolarHBondContact O-OG 2.89Å; Y310-S332 WeakPolarHBondContact CE2-OG 3.48Å
333D92.7Very high95.2Very high80 Ų8055.7 Ų55.743%0.42830%0.295SS..  trans-101.60.1-177.567.21.9000114.3S335 F339D333-S335 WeakPolarHBondContact OD1-CA 3.3Å; D333-S335 WeakPolarHBondContact OD1-CB 3.41Å; D333-S335 PolarHBondContact OD1-N 3.03Å; D333-S335 PolarHBondContact OD1-OG 3.21Å; D333-S335 PolarHBondContact OD2-OG 3.49Å; D333-F339 WeakPolarHBondContact OD1-CZ 3.48Å
334G89.4Confident95Very high17 Ų1759.3 Ų59.318%0.17531%0.31CS..SBendtrans89.2-3.8-174.600000114.5S303 G306 Y368S303-G334 CarbonylContact O-C 3.48Å; S303-G334 VanDerWaalsContact O-CA 3.27Å; S303-G334 WeakPolarHBondContact O-CA 3.23Å; G306-G334 WeakPolarHBondContact O-CA 3.4Å; G306-G334 PolarHBondContact O-N 3.47Å; G334-Y368 WeakPolarHBondContact O-CE2 3.27Å; G334-Y368 PolarHBondContact O-OH 3.09Å
335S91.9Very high94.8Very high32 Ų3261 Ų6122%0.22432%0.315CS..SBendtrans-85.1164.7175.874.80000112.1D333 N337 Y368D333-S335 WeakPolarHBondContact OD1-CA 3.3Å; D333-S335 WeakPolarHBondContact OD1-CB 3.41Å; D333-S335 PolarHBondContact OD1-N 3.03Å; D333-S335 PolarHBondContact OD1-OG 3.21Å; D333-S335 PolarHBondContact OD2-OG 3.49Å; S335-N337 PolarHBondContact O-N 3.29Å; S335-N337 VanDerWaalsContact OG-CB 3.31Å; S335-N337 WeakPolarHBondContact OG-CB 3.41Å; S335-N337 VanDerWaalsContact OG-CG 3.29Å; S335-N337 PolarHBondContact OG-N 3.12Å; S335-N337 PolarHBondContact OG-ND2 2.85Å; S335-N337 VanDerWaalsContact OG-ND2 3.08Å; S335-Y368 WeakPolarHBondContact O-CD2 3.26Å; S335-Y368 VanDerWaalsContact O-CE2 3.23Å; S335-Y368 WeakPolarHBondContact O-CE2 3.36Å
336S91.5Very high94.8Very high55 Ų5556.6 Ų56.639%0.38530%0.295SS..SBendtrans-75.811.6172.660.40000113.6S269 Y301S269-S336 WeakPolarHBondContact OG-CB 3.47Å; Y301-S336 WeakPolarHBondContact CE1-O 3.25Å
337N94.3Very high94.8Very high93 Ų9355 Ų5550%0.49729%0.288SS..  trans-70162.8177.2-68.2-27.3000111.3S335 F339S335-N337 PolarHBondContact O-N 3.29Å; S335-N337 VanDerWaalsContact OG-CB 3.31Å; S335-N337 WeakPolarHBondContact OG-CB 3.41Å; S335-N337 VanDerWaalsContact OG-CG 3.29Å; S335-N337 PolarHBondContact OG-N 3.12Å; S335-N337 PolarHBondContact OG-ND2 2.85Å; S335-N337 VanDerWaalsContact OG-ND2 3.08Å; N337-F339 HydrophobicContact CB-CZ 4.46Å; N337-F339 VanDerWaalsContact O-CE2 3.25Å; N337-F339 WeakPolarHBondContact O-CE2 3.08Å
338T95.4Very high94.7Very high30 Ų3050.3 Ų50.318%0.18426%0.262CS..EExtended strand (participates in β ladder)trans-94.9140.8172.557.60000110.1L300 Y301 P404 E405L300-T338 CarbonylContact O-C 3.59Å; L300-T338 WeakPolarHBondContact O-CA 3.48Å; Y301-T338 HydrophobicContact CD1-CG2 4.36Å; Y301-T338 HydrophobicContact CE1-CG2 4.05Å; T338-P404 HydrophobicContact CG2-CB 3.92Å; T338-P404 HydrophobicContact CG2-CG 3.48Å; T338-P404 VanDerWaalsContact CG2-CG 3.48Å; T338-E405 WeakPolarHBondContact CB-OE1 3.19Å; T338-E405 HydrophobicContact CG2-CG 4.27Å; T338-E405 WeakPolarHBondContact CG2-OE1 3.36Å; T338-E405 PolarHBondContact OG1-OE1 3.36Å; T338-E405 PolarHBondContact OG1-OE2 2.73Å
339F96.4Very high94.7Very high24 Ų2448 Ų4811%0.10525%0.248CC..EExtended strand (participates in β ladder)trans-111.5120.5-178.8-57.6-82.9000108.7L300 F330 M331 D333 N337L300-F339 PolarHBondContact N-O 3.24Å; L300-F339 PolarHBondContact O-N 3.02Å; F330-F339 HydrophobicContact CD2-CB 3.37Å; F330-F339 HydrophobicContact CD2-CD2 4.23Å; F330-F339 AromaticContact CD2-CG 3.78Å; F330-F339 HydrophobicContact CD2-CG 3.78Å; F330-F339 HydrophobicContact CE2-CB 3.66Å; F330-F339 AromaticContact CE2-CD2 3.85Å; F330-F339 HydrophobicContact CE2-CD2 3.85Å; F330-F339 AromaticContact CE2-CG 3.88Å; F330-F339 HydrophobicContact CE2-CG 3.88Å; F330-F339 HydrophobicContact CG-CB 4.2Å; M331-F339 VanDerWaalsContact O-CD1 3.3Å; M331-F339 WeakPolarHBondContact O-CD1 3.45Å; D333-F339 WeakPolarHBondContact OD1-CZ 3.48Å; N337-F339 HydrophobicContact CB-CZ 4.46Å; N337-F339 VanDerWaalsContact O-CE2 3.25Å; N337-F339 WeakPolarHBondContact O-CE2 3.08Å
340P97.3Very high94.7Very high48 Ų4845 Ų4531%0.31224%0.235SC..EExtended strand (participates in β ladder)trans-75.2135.7-176.530.6-34.6000111.2W342 I407P340-W342 HydrophobicContact CB-CZ2 3.93Å; P340-W342 HydrophobicContact CG-CZ2 4.48Å; P340-I407 HydrophobicContact CB-CD1 3.52Å
341V97.5Very high94.8Very high4 Ų449 Ų492%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-125.8130.7168.3-68.10000108.7G297 L298 L300 V312 I314 T328 F330G297-V341 CarbonylContact C-O 3.6Å; G297-V341 WeakPolarHBondContact CA-O 3.37Å; L298-V341 HydrophobicContact CB-CG2 4.08Å; L298-V341 PolarHBondContact N-O 2.69Å; L298-V341 VanDerWaalsContact O-CG2 3.3Å; L298-V341 WeakPolarHBondContact O-CG2 3.15Å; L298-V341 PolarHBondContact O-N 3.43Å; L300-V341 HydrophobicContact CD1-CG1 4.38Å; L300-V341 HydrophobicContact CD1-CG2 3.53Å; L300-V341 HydrophobicContact CG-CG2 3.91Å; V312-V341 HydrophobicContact CG1-CG1 3.94Å; I314-V341 HydrophobicContact CD1-CB 4.4Å; I314-V341 HydrophobicContact CD1-CG2 4.13Å; I314-V341 HydrophobicContact CG2-CG2 3.66Å; T328-V341 HydrophobicContact CG2-CB 4.24Å; T328-V341 HydrophobicContact CG2-CG1 4.18Å; F330-V341 HydrophobicContact CB-CG1 4.09Å; F330-V341 HydrophobicContact CD1-CG1 3.77Å; F330-V341 HydrophobicContact CG-CG1 4.17Å
342W97.4Very high94.9Very high95 Ų9549 Ų4936%0.3626%0.257SS..EExtended strand (participates in β ladder)trans-107.6144.8-167.1-55.294.1000111.1P260 A296 N326 P340 I407P260-W342 HydrophobicContact CB-CH2 3.91Å; P260-W342 HydrophobicContact CB-CZ3 4.25Å; P260-W342 HydrophobicContact CG-CH2 3.98Å; A296-W342 HydrophobicContact CB-CE3 3.88Å; A296-W342 HydrophobicContact CB-CZ3 3.78Å; A296-W342 WeakPolarHBondContact O-CA 3.22Å; N326-W342 PolarHBondContact ND2-O 2.82Å; P340-W342 HydrophobicContact CB-CZ2 3.93Å; P340-W342 HydrophobicContact CG-CZ2 4.48Å; W342-I407 HydrophobicContact CE3-CG2 4.43Å; W342-I407 HydrophobicContact CH2-CD1 4.33Å; W342-I407 HydrophobicContact CH2-CG2 3.58Å; W342-I407 HydrophobicContact CZ2-CD1 4.48Å; W342-I407 HydrophobicContact CZ3-CB 4.3Å; W342-I407 HydrophobicContact CZ3-CD1 4.5Å; W342-I407 HydrophobicContact CZ3-CG2 3.45Å; W342-I407 VanDerWaalsContact CZ3-CG2 3.45Å
343F97.5Very high95.1Very high11 Ų1150.3 Ų50.35%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-70160160.7-64.7-69.2000109.6I295 A296 I314 L316 A324 H345I295-F343 HydrophobicContact CG2-CD2 4.39Å; I295-F343 HydrophobicContact CG2-CE2 3.95Å; A296-F343 PolarHBondContact O-N 3.21Å; I314-F343 HydrophobicContact CB-CE1 4.23Å; I314-F343 HydrophobicContact CB-CZ 4.46Å; I314-F343 HydrophobicContact CD1-CD1 3.82Å; I314-F343 HydrophobicContact CD1-CD2 4.45Å; I314-F343 HydrophobicContact CD1-CE1 3.69Å; I314-F343 HydrophobicContact CD1-CE2 4.33Å; I314-F343 HydrophobicContact CD1-CG 4.2Å; I314-F343 HydrophobicContact CD1-CZ 3.95Å; I314-F343 HydrophobicContact CG1-CD1 4.05Å; I314-F343 HydrophobicContact CG1-CE1 3.68Å; I314-F343 HydrophobicContact CG1-CZ 4.22Å; L316-F343 HydrophobicContact CB-CE1 4.19Å; L316-F343 HydrophobicContact CB-CE2 4.15Å; L316-F343 HydrophobicContact CB-CZ 3.67Å; A324-F343 HydrophobicContact CB-CB 4.37Å; A324-F343 HydrophobicContact CB-CD1 3.64Å; A324-F343 HydrophobicContact CB-CE1 4.13Å; A324-F343 HydrophobicContact CB-CG 4.04Å; F343-H345 VanDerWaalsContact C-N 3.3Å; F343-H345 WeakPolarHBondContact CB-O 3.26Å; F343-H345 PolarHBondContact O-N 2.67Å
344E93.1Very high95.3Very high155 Ų15549.6 Ų49.672%0.72426%0.258SS*.EExtended strand (participates in β ladder)trans-60.6-43.4175.3-175.4173.9-170.200111.2
345H94.2Very high95.7Very high51 Ų5149 Ų4924%0.23625%0.25CS..EExtended strand (participates in β ladder)trans-132143173.7-58-45.7000110.2E141 M142 F343E141-H345 IonicContact OE2-CE1 2.82Å; M142-H345 HydrophobicContact SD-CB 3.92Å; F343-H345 VanDerWaalsContact C-N 3.3Å; F343-H345 WeakPolarHBondContact CB-O 3.26Å; F343-H345 PolarHBondContact O-N 2.67Å
346P96.9Very high96.1Very high13 Ų1347.9 Ų47.98%0.08424%0.242CC..EExtended strand (participates in β ladder)trans-60.1140.8172.9-23.936.1000111.6A138 Q139 F294 I295 A296 Y409A138-P346 WeakPolarHBondContact O-CD 3.34Å; A138-P346 WeakPolarHBondContact O-CG 3.19Å; Q139-P346 PolarHBondContact NE2-O 3.03Å; F294-P346 HydrophobicContact CB-CB 3.84Å; I295-P346 CarbonylContact O-C 3.51Å; I295-P346 VanDerWaalsContact O-CA 3.29Å; I295-P346 WeakPolarHBondContact O-CA 3.48Å; A296-P346 HydrophobicContact CB-CB 4.4Å; A296-P346 HydrophobicContact CB-CG 4.29Å; P346-Y409 HydrophobicContact CB-CD2 4.18Å; P346-Y409 HydrophobicContact CB-CE2 4.22Å; P346-Y409 HydrophobicContact CG-CD2 4.03Å; P346-Y409 HydrophobicContact CG-CE2 3.62Å
347V96.8Very high96.4Very high17 Ų1745.2 Ų45.210%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-106.3126.1-177-176.20000110F294 I295 L316 L323 A324 V349F294-V347 CarbonylContact C-O 3.58Å; F294-V347 VanDerWaalsContact CA-O 3.32Å; F294-V347 WeakPolarHBondContact CA-O 3.33Å; I295-V347 PolarHBondContact N-O 2.93Å; I295-V347 PolarHBondContact O-N 3.25Å; L316-V347 HydrophobicContact CD2-CB 3.64Å; L316-V347 HydrophobicContact CD2-CG1 3.77Å; L316-V347 HydrophobicContact CD2-CG2 4.04Å; L323-V347 HydrophobicContact CB-CG1 4.07Å; L323-V347 HydrophobicContact CD1-CG1 4.21Å; A324-V347 HydrophobicContact CB-CG2 3.37Å; V347-V349 PolarHBondContact O-N 2.84Å
348Q95.8Very high96.6Very high34 Ų3440.9 Ų40.916%0.15920%0.201CC..EExtended strand (participates in β ladder)trans-64.9126.8172.6-172170.6-65.800110.5R292 F294 E350R292-Q348 HydrophobicContact CG-CG 3.89Å; F294-Q348 HydrophobicContact CD1-CB 4.03Å; F294-Q348 HydrophobicContact CE1-CB 3.75Å; F294-Q348 HydrophobicContact CE1-CG 4.13Å; F294-Q348 HydrophobicContact CZ-CB 4.46Å; F294-Q348 HydrophobicContact CZ-CG 4.36Å; Q348-E350 PolarHBondContact NE2-OE1 2.7Å
349V95.9Very high96.7Very high0 Ų039.4 Ų39.40%019%0.192CC..EExtended strand (participates in β ladder)trans-113.7124.7175.7165.10000107.5F287 V289 R292 V293 I295 L316 V347 Y355F287-V349 HydrophobicContact CE2-CG1 4.13Å; F287-V349 HydrophobicContact CE2-CG2 4.44Å; F287-V349 HydrophobicContact CZ-CG2 4.32Å; V289-V349 HydrophobicContact CG2-CG1 3.56Å; R292-V349 WeakPolarHBondContact CA-O 3.32Å; V293-V349 HydrophobicContact CG2-CB 4.18Å; V293-V349 HydrophobicContact CG2-CG1 4.46Å; V293-V349 PolarHBondContact N-O 3.42Å; V293-V349 PolarHBondContact O-N 3.36Å; I295-V349 HydrophobicContact CB-CG2 4.38Å; I295-V349 HydrophobicContact CG1-CB 4.34Å; I295-V349 HydrophobicContact CG1-CG2 3.51Å; L316-V349 HydrophobicContact CD2-CG2 4.28Å; V347-V349 PolarHBondContact O-N 2.84Å; V349-Y355 HydrophobicContact CB-CD2 4.44Å; V349-Y355 HydrophobicContact CB-CE2 4.12Å; V349-Y355 HydrophobicContact CG1-CD2 3.63Å; V349-Y355 HydrophobicContact CG1-CE2 3.48Å; V349-Y355 VanDerWaalsContact CG1-CE2 3.48Å; V349-Y355 HydrophobicContact CG1-CG 4.35Å; V349-Y355 HydrophobicContact CG2-CD1 4.1Å; V349-Y355 HydrophobicContact CG2-CD2 4.26Å; V349-Y355 HydrophobicContact CG2-CE1 4.04Å; V349-Y355 HydrophobicContact CG2-CE2 4.25Å; V349-Y355 HydrophobicContact CG2-CG 4.21Å
350E94.4Very high96.7Very high53 Ų5340.6 Ų40.625%0.24820%0.201CC..  trans-77.6150.8177.9-61.9-52.9142.600111.4R292 Q348 Y355R292-E350 IonicContact CZ-OE1 3.42Å; R292-E350 IonicContact CZ-OE2 3.35Å; R292-E350 IonicContact NE-OE1 2.88Å; R292-E350 IonicContact NE-OE2 3.25Å; R292-E350 PolarHBondContact NE-OE2 3.39Å; R292-E350 VanDerWaalsContact NE-OE2 3.11Å; R292-E350 IonicContact NH2-OE1 2.67Å; R292-E350 IonicContact NH2-OE2 3.55Å; R292-E350 PolarHBondContact NH2-OE2 2.56Å; Q348-E350 PolarHBondContact NE2-OE1 2.7Å; E350-Y355 PolarHBondContact N-OH 3.08Å
351Q94.8Very high96.4Very high100 Ų10038.3 Ų38.347%0.46719%0.186SC..THydrogen-bonded Turntrans-56.2144.9173.1171.1172.8-3.500111.4V289 D290 T353V289-Q351 WeakPolarHBondContact O-CA 3.2Å; D290-Q351 WeakPolarHBondContact O-CG 3.39Å; D290-Q351 PolarHBondContact O-NE2 2.81Å; D290-Q351 VanDerWaalsContact O-NE2 3.15Å; D290-Q351 PolarHBondContact O-OE1 3.18Å; Q351-T353 PolarHBondContact O-N 2.86Å; Q351-T353 PolarHBondContact O-OG1 3.09Å
352D96.3Very high96Very high113 Ų11343.1 Ų43.160%0.60421%0.212SC*.THydrogen-bonded Turntrans54.421.3171.7-59.6-38.5000114.3V289V289-D352 PolarHBondContact O-N 2.71Å
353T96.8Very high95.3Very high32 Ų3239.6 Ų39.620%0.19621%0.205CC..  trans-113.9132.4179.5-62.50000109.3Q351 Y355Q351-T353 PolarHBondContact O-N 2.86Å; Q351-T353 PolarHBondContact O-OG1 3.09Å; T353-Y355 HydrophobicContact CG2-CD2 4.21Å; T353-Y355 HydrophobicContact CG2-CE2 3.56Å; T353-Y355 WeakPolarHBondContact O-CD2 3.37Å; T353-Y355 WeakPolarHBondContact O-CE2 3.48Å
354F97.8Very high94.2Very high64 Ų6444.4 Ų44.428%0.28124%0.24SC..  trans-81.4131.5177.4-82.3-83.2000112.6Q286 F287 A288 Q385 Q387Q286-F354 HydrophobicContact CB-CD1 4.19Å; F287-F354 CarbonylContact O-C 3.57Å; F287-F354 WeakPolarHBondContact O-CA 3.37Å; A288-F354 HydrophobicContact CB-CD1 3.93Å; A288-F354 HydrophobicContact CB-CD2 4.11Å; A288-F354 HydrophobicContact CB-CE1 3.8Å; A288-F354 HydrophobicContact CB-CE2 3.98Å; A288-F354 HydrophobicContact CB-CG 4.08Å; A288-F354 HydrophobicContact CB-CZ 3.81Å; F354-Q385 HydrophobicContact CZ-CG 4.45Å; F354-Q387 HydrophobicContact CE1-CB 4.32Å; F354-Q387 HydrophobicContact CE1-CG 3.77Å; F354-Q387 HydrophobicContact CZ-CG 4.07Å
355Y98.6Very high93.6Very high4 Ų440.4 Ų40.42%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-120.7154172.8-66.7-107.5000109.4Q286 F287 K317 R318 L323 V349 E350 T353Q286-Y355 CarbonylContact C-O 3.59Å; Q286-Y355 VanDerWaalsContact CA-O 3.23Å; Q286-Y355 WeakPolarHBondContact CA-O 3.33Å; F287-Y355 PolarHBondContact N-O 3.41Å; F287-Y355 PolarHBondContact O-N 3.34Å; K317-Y355 CarbonylContact O-C 3.48Å; K317-Y355 VanDerWaalsContact O-CA 3.31Å; K317-Y355 WeakPolarHBondContact O-CA 3.47Å; R318-Y355 HydrophobicContact CB-CD1 3.95Å; R318-Y355 HydrophobicContact CB-CE1 3.99Å; R318-Y355 HydrophobicContact CG-CD1 4.49Å; R318-Y355 HydrophobicContact CG-CE1 4.29Å; L323-Y355 HydrophobicContact CD1-CD1 3.78Å; L323-Y355 HydrophobicContact CD1-CE1 3.49Å; L323-Y355 VanDerWaalsContact CD1-CE1 3.49Å; V349-Y355 HydrophobicContact CB-CD2 4.44Å; V349-Y355 HydrophobicContact CB-CE2 4.12Å; V349-Y355 HydrophobicContact CG1-CD2 3.63Å; V349-Y355 HydrophobicContact CG1-CE2 3.48Å; V349-Y355 VanDerWaalsContact CG1-CE2 3.48Å; V349-Y355 HydrophobicContact CG1-CG 4.35Å; V349-Y355 HydrophobicContact CG2-CD1 4.1Å; V349-Y355 HydrophobicContact CG2-CD2 4.26Å; V349-Y355 HydrophobicContact CG2-CE1 4.04Å; V349-Y355 HydrophobicContact CG2-CE2 4.25Å; V349-Y355 HydrophobicContact CG2-CG 4.21Å; E350-Y355 PolarHBondContact N-OH 3.08Å; T353-Y355 HydrophobicContact CG2-CD2 4.21Å; T353-Y355 HydrophobicContact CG2-CE2 3.56Å; T353-Y355 WeakPolarHBondContact O-CD2 3.37Å; T353-Y355 WeakPolarHBondContact O-CE2 3.48Å
356T98.6Very high93.2Very high9 Ų941 Ų416%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-107.9119.5175.5-55.70000109.1S284 L316 K317 S389S284-T356 WeakPolarHBondContact OG-CG2 3.46Å; L316-T356 WeakPolarHBondContact CA-O 3.48Å; K317-T356 PolarHBondContact N-O 3.21Å; K317-T356 PolarHBondContact O-N 2.91Å; T356-S389 WeakPolarHBondContact CG2-OG 3.16Å
357A98.6Very high92.9Very high0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans-96.3126.2167.400000108.9S284 I285 F287 L298 I403 L406S284-A357 WeakPolarHBondContact CA-O 3.46Å; S284-A357 PolarHBondContact OG-O 3.37Å; I285-A357 HydrophobicContact CG2-CB 4.26Å; I285-A357 PolarHBondContact N-O 3.42Å; I285-A357 PolarHBondContact O-N 3.09Å; F287-A357 HydrophobicContact CD1-CB 4.33Å; F287-A357 HydrophobicContact CE1-CB 4.07Å; L298-A357 HydrophobicContact CD2-CB 3.9Å; A357-I403 WeakPolarHBondContact O-CD1 3.2Å; A357-L406 HydrophobicContact CB-CD2 4.05Å
358S98.2Very high92.7Very high1 Ų141 Ų411%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-132.1147.517857.70000112.6D283 I314 E315D283-S358 CarbonylContact O-C 3.58Å; D283-S358 WeakPolarHBondContact O-CA 3.39Å; D283-S358 WeakPolarHBondContact O-CB 3.37Å; I314-S358 CarbonylContact C-O 3.56Å; I314-S358 WeakPolarHBondContact CA-O 3.34Å; E315-S358 PolarHBondContact N-O 3.18Å; E315-S358 PolarHBondContact O-N 2.92Å
359A97.7Very high92.6Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-134.6132175.400000110D283 L298 L300 V312 K313 I314 L361 I403D283-A359 WeakPolarHBondContact CB-O 3.26Å; D283-A359 PolarHBondContact N-O 3.06Å; D283-A359 PolarHBondContact O-N 3.27Å; L298-A359 HydrophobicContact CD1-CB 4.42Å; L300-A359 HydrophobicContact CD1-CB 4.29Å; L300-A359 HydrophobicContact CD2-CB 4.02Å; V312-A359 HydrophobicContact CG2-CB 4.31Å; K313-A359 CarbonylContact O-C 3.59Å; K313-A359 WeakPolarHBondContact O-CA 3.39Å; I314-A359 HydrophobicContact CG2-CB 4.2Å; A359-L361 HydrophobicContact CB-CD1 3.82Å; A359-I403 HydrophobicContact CB-CD1 4.39Å; A359-I403 HydrophobicContact CB-CG1 4.32Å
360V96.6Very high92.5Very high48 Ų4839.9 Ų39.929%0.29122%0.217SC..EExtended strand (participates in β ladder)trans-114.3109.2170.4-179.30000107.2G280 C282 V312 K313G280-V360 WeakPolarHBondContact O-CG1 3.31Å; C282-V360 HydrophobicContact CB-CG2 4.18Å; V312-V360 WeakPolarHBondContact CA-O 3.25Å; K313-V360 HydrophobicContact CB-CB 4.42Å; K313-V360 PolarHBondContact N-O 2.96Å; K313-V360 PolarHBondContact O-N 3.46Å
361L92Very high92.5Very high1 Ų140.2 Ų40.21%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-103.4143.1179.5-64.792.5000110.5Y278 G280 L300 V312 F330 A359Y278-L361 CarbonylContact C-O 3.52Å; Y278-L361 HydrophobicContact CD1-CB 3.48Å; Y278-L361 VanDerWaalsContact CD1-CB 3.48Å; Y278-L361 HydrophobicContact CD1-CD1 4.07Å; Y278-L361 HydrophobicContact CD1-CD2 4.04Å; Y278-L361 HydrophobicContact CD1-CG 4.06Å; Y278-L361 HydrophobicContact CD2-CB 4.22Å; Y278-L361 HydrophobicContact CD2-CD2 4.18Å; Y278-L361 HydrophobicContact CE1-CB 4.08Å; Y278-L361 HydrophobicContact CE1-CD1 3.93Å; Y278-L361 HydrophobicContact CE1-CD2 3.79Å; Y278-L361 HydrophobicContact CE1-CG 4.14Å; Y278-L361 HydrophobicContact CE2-CD2 3.9Å; Y278-L361 HydrophobicContact CG-CB 3.55Å; Y278-L361 HydrophobicContact CG-CD2 4.22Å; Y278-L361 HydrophobicContact CG-CG 4.4Å; G280-L361 WeakPolarHBondContact CA-O 3.3Å; G280-L361 PolarHBondContact N-O 2.83Å; L300-L361 HydrophobicContact CD1-CD1 4.34Å; L300-L361 HydrophobicContact CD1-CD2 4.15Å; L300-L361 HydrophobicContact CD1-CG 4.45Å; V312-L361 HydrophobicContact CB-CG 4.09Å; V312-L361 HydrophobicContact CG2-CD1 4.27Å; V312-L361 HydrophobicContact CG2-CD2 4.48Å; V312-L361 HydrophobicContact CG2-CG 3.79Å; F330-L361 HydrophobicContact CE1-CD2 3.74Å; F330-L361 HydrophobicContact CZ-CD2 3.9Å; A359-L361 HydrophobicContact CB-CD1 3.82Å
362D88.3Confident92.5Very high105 Ų10540.6 Ų40.656%0.56122%0.221SC*.EExtended strand (participates in β ladder)trans-126.8126.1171.2-167.518.8000110.5S311S311-D362 PolarHBondContact N-O 2.84Å; S311-D362 PolarHBondContact O-N 3.2Å
363G81.8Confident92.4Very high21 Ų2135.6 Ų35.622%0.21620%0.195CC..EExtended strand (participates in β ladder)trans-179.1155.7176.900000113.2Y278Y278-G363 PolarHBondContact O-N 2.79Å
364S74.9Confident92.4Very high111 Ų11136.5 Ų36.578%0.77620%0.198SC*.EExtended strand (participates in β ladder)trans-76.9-25.7-173.755.10000114.3
365E80.3Confident92.4Very high71 Ų7137.6 Ų37.633%0.33221%0.21SC..EExtended strand (participates in β ladder)trans-87.9148.6-168.3-59.7-49.4122.400113.9S305 A308 Y310S305-E365 PolarHBondContact OG-OE2 2.9Å; A308-E365 HydrophobicContact CB-CB 4.3Å; A308-E365 HydrophobicContact CB-CG 3.83Å; Y310-E365 PolarHBondContact OH-O 3.05Å
366L86.3Confident92.4Very high63 Ų6343.6 Ų43.633%0.3324%0.238SC..EExtended strand (participates in β ladder)trans-65.1138.7170.3-68.6175000110.4Q275 R277 S303 S304Q275-L366 HydrophobicContact CB-CD2 3.83Å; Q275-L366 HydrophobicContact CG-CD2 4.12Å; R277-L366 HydrophobicContact CG-CD2 3.77Å; S303-L366 CarbonylContact C-O 3.58Å; S303-L366 WeakPolarHBondContact CA-O 3.41Å; S304-L366 PolarHBondContact N-O 3.4Å; S304-L366 WeakPolarHBondContact OG-CB 3.38Å; S304-L366 PolarHBondContact OG-O 3.41Å
367S90.5Very high92.3Very high3 Ų343.9 Ų43.92%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-111.7158-178.4710000114.3W276 Y278 G302W276-S367 PolarHBondContact O-N 3.37Å; Y278-S367 WeakPolarHBondContact CE2-OG 3.49Å; Y278-S367 VanDerWaalsContact OH-CB 3.26Å; Y278-S367 WeakPolarHBondContact OH-CB 3.4Å; Y278-S367 PolarHBondContact OH-OG 2.97Å; Y278-S367 VanDerWaalsContact OH-OG 3.12Å; G302-S367 CarbonylContact O-C 3.49Å; G302-S367 WeakPolarHBondContact O-CA 3.36Å; G302-S367 VanDerWaalsContact O-CB 3.22Å; G302-S367 WeakPolarHBondContact O-CB 3.14Å
368Y92.6Very high92.3Very high28 Ų2849.7 Ų49.711%0.1127%0.267CS..  trans-64.5151.5161.2-68.9-91.5000109.7A270 Y271 Y301 G302 S303 S304 G334 S335 Q402A270-Y368 WeakPolarHBondContact O-CA 3.46Å; Y271-Y368 HydrophobicContact CD1-CD1 4.45Å; Y271-Y368 AromaticContact CD1-CE1 3.86Å; Y271-Y368 HydrophobicContact CD1-CE1 3.86Å; Y271-Y368 HydrophobicContact CD2-CE1 4.42Å; Y271-Y368 HydrophobicContact CG-CD1 4.28Å; Y271-Y368 AromaticContact CG-CE1 3.71Å; Y271-Y368 HydrophobicContact CG-CE1 3.71Å; Y301-Y368 WeakPolarHBondContact CB-O 3.37Å; G302-Y368 PolarHBondContact O-N 2.97Å; S303-Y368 WeakPolarHBondContact O-CD2 3.49Å; S303-Y368 VanDerWaalsContact O-CE2 3.3Å; S303-Y368 WeakPolarHBondContact O-CE2 3.36Å; S304-Y368 VanDerWaalsContact CA-CE2 3.43Å; G334-Y368 WeakPolarHBondContact O-CE2 3.27Å; G334-Y368 PolarHBondContact O-OH 3.09Å; S335-Y368 WeakPolarHBondContact O-CD2 3.26Å; S335-Y368 VanDerWaalsContact O-CE2 3.23Å; S335-Y368 WeakPolarHBondContact O-CE2 3.36Å; Y368-Q402 PolarHBondContact O-NE2 3.22Å
369F93.2Very high92.1Very high10 Ų1050.5 Ų50.54%0.04427%0.273CS..EExtended strand (participates in β ladder)trans-141.8156.2169.568.8-79.2000110S269 A270 N274 W276 Q371S269-F369 CarbonylContact C-O 3.5Å; S269-F369 WeakPolarHBondContact CA-O 3.44Å; A270-F369 HydrophobicContact CB-CE1 3.98Å; A270-F369 HydrophobicContact CB-CE2 4.48Å; A270-F369 HydrophobicContact CB-CZ 3.92Å; A270-F369 PolarHBondContact N-O 3.17Å; A270-F369 PolarHBondContact O-N 2.88Å; N274-F369 HydrophobicContact CB-CE1 4.41Å; N274-F369 HydrophobicContact CB-CZ 4.02Å; N274-F369 WeakPolarHBondContact O-CE1 3.39Å; W276-F369 HydrophobicContact CB-CB 4Å; W276-F369 HydrophobicContact CB-CD1 3.91Å; W276-F369 HydrophobicContact CB-CG 4.19Å; W276-F369 HydrophobicContact CD2-CB 3.73Å; W276-F369 HydrophobicContact CD2-CG 4.17Å; W276-F369 HydrophobicContact CE3-CB 3.53Å; W276-F369 HydrophobicContact CE3-CD1 4.18Å; W276-F369 AromaticContact CE3-CD2 3.7Å; W276-F369 HydrophobicContact CE3-CD2 3.7Å; W276-F369 HydrophobicContact CE3-CE2 4.46Å; W276-F369 AromaticContact CE3-CG 3.53Å; W276-F369 HydrophobicContact CE3-CG 3.53Å; W276-F369 HydrophobicContact CG-CB 3.94Å; W276-F369 HydrophobicContact CG-CG 4.46Å; W276-F369 HydrophobicContact CZ3-CB 4.29Å; W276-F369 HydrophobicContact CZ3-CD2 4.02Å; W276-F369 HydrophobicContact CZ3-CG 4.28Å; F369-Q371 HydrophobicContact CD2-CG 4.25Å; F369-Q371 HydrophobicContact CE2-CG 3.75Å; F369-Q371 HydrophobicContact CZ-CG 4.42Å
370G94.6Very high91.9Very high0 Ų053.4 Ų53.40%030%0.303CS..EExtended strand (participates in β ladder)trans-80.9149.8-178.800000112.7S268 G400 G401S268-G370 WeakPolarHBondContact O-CA 3.41Å; G370-G400 CarbonylContact O-C 3.57Å; G370-G400 WeakPolarHBondContact O-CA 3.3Å; G370-G401 PolarHBondContact N-O 3.27Å; G370-G401 PolarHBondContact O-N 3.3Å
371Q93.9Very high91.8Very high61 Ų6158.9 Ų58.929%0.28532%0.323SS..EExtended strand (participates in β ladder)trans-132.1168.4173.7-64.3-170.9-2100109.8F266 Q267 S268 A270 F369 G373F266-Q371 WeakPolarHBondContact CB-O 3.49Å; F266-Q371 WeakPolarHBondContact CD1-O 3.42Å; Q267-Q371 PolarHBondContact N-O 3Å; S268-Q371 PolarHBondContact O-N 2.83Å; A270-Q371 VanDerWaalsContact CB-CD 3.4Å; A270-Q371 HydrophobicContact CB-CG 4.01Å; A270-Q371 VanDerWaalsContact CB-NE2 3.31Å; F369-Q371 HydrophobicContact CD2-CG 4.25Å; F369-Q371 HydrophobicContact CE2-CG 3.75Å; F369-Q371 HydrophobicContact CZ-CG 4.42Å; Q371-G373 VanDerWaalsContact C-N 3.27Å; Q371-G373 PolarHBondContact O-N 3.42Å
372E94.6Very high92.1Very high108 Ų10858.9 Ų58.951%0.50532%0.323SS..EExtended strand (participates in β ladder)trans55.147.7178.1-61.4166.5161.700111Q267 S268 Q399Q267-E372 HydrophobicContact CB-CB 3.89Å; Q267-E372 HydrophobicContact CG-CB 4.39Å; Q267-E372 WeakPolarHBondContact CG-O 3.42Å; Q267-E372 PolarHBondContact N-O 2.85Å; S268-E372 WeakPolarHBondContact CB-OE2 3.32Å; S268-E372 PolarHBondContact OG-OE2 3.22Å; E372-Q399 PolarHBondContact N-O 2.94Å
373G95.3Very high92.6Very high7 Ų754.5 Ų54.57%0.07230%0.301CS..EExtended strand (participates in β ladder)trans-73.7143.6-175.200000113.4R265 F266 Q371 V398 Q399R265-G373 WeakPolarHBondContact O-CA 3.28Å; F266-G373 VanDerWaalsContact CD1-CA 3.48Å; Q371-G373 VanDerWaalsContact C-N 3.27Å; Q371-G373 PolarHBondContact O-N 3.42Å; G373-V398 CarbonylContact C-O 3.46Å; G373-V398 VanDerWaalsContact CA-O 3.23Å; G373-V398 WeakPolarHBondContact CA-O 3.18Å; G373-Q399 PolarHBondContact N-O 3.14Å
374M96.9Very high93.3Very high51 Ų5153.6 Ų53.625%0.25129%0.291SS..  trans-97.3135.2-173.6-61.4174.8-75.900110.7H264 R265 Q267 E376 V377H264-M374 WeakPolarHBondContact O-CE 3.27Å; R265-M374 PolarHBondContact O-N 3.08Å; Q267-M374 HydrophobicContact CG-CE 4.49Å; Q267-M374 HydrophobicContact CG-CG 4.34Å; Q267-M374 HydrophobicContact CG-SD 4.18Å; M374-E376 VanDerWaalsContact C-N 3.28Å; M374-V377 HydrophobicContact CB-CG2 3.8Å; M374-V377 HydrophobicContact CE-CG2 3.82Å; M374-V377 HydrophobicContact SD-CG2 4.34Å
375T97Very high94.5Very high88 Ų8852.8 Ų52.854%0.5428%0.276SS..SBendtrans-72.8-24.1172.947.70000112.3Q385 F386 V398T375-Q385 CarbonylContact O-C 3.46Å; T375-Q385 WeakPolarHBondContact O-CA 3.26Å; T375-F386 PolarHBondContact O-N 2.94Å; T375-V398 HydrophobicContact CG2-CG1 3.66Å
376E97.6Very high95.3Very high129 Ų12949.7 Ų49.760%0.60326%0.261SS*.EExtended strand (participates in β ladder)trans-140.9137.8-179.5-172.6175.3-171.900109.8M374 F384M374-E376 VanDerWaalsContact C-N 3.28Å; E376-F384 CarbonylContact C-O 3.56Å; E376-F384 WeakPolarHBondContact CA-O 3.44Å
377V97.8Very high95.9Very high15 Ų1550.3 Ų50.39%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-138.5124.2-179.2-177.30000109.9R265 M374 F384 F386R265-V377 HydrophobicContact CB-CG2 4.25Å; M374-V377 HydrophobicContact CB-CG2 3.8Å; M374-V377 HydrophobicContact CE-CG2 3.82Å; M374-V377 HydrophobicContact SD-CG2 4.34Å; V377-F384 PolarHBondContact N-O 3Å; V377-F384 PolarHBondContact O-N 3.18Å; V377-F386 HydrophobicContact CB-CE2 4.2Å; V377-F386 HydrophobicContact CG2-CD2 4.29Å; V377-F386 HydrophobicContact CG2-CE2 3.79Å
378Q97.3Very high96.2Very high122 Ų12254.2 Ų54.257%0.5729%0.288SS*.EExtended strand (participates in β ladder)trans-86.6112.8169.3-172.367.133.400109.6G380Q378-G380 PolarHBondContact NE2-O 3.09Å
379C95.9Very high96.4Very high18 Ų1853.3 Ų53.312%0.12229%0.286CS..EExtended strand (participates in β ladder)trans-114.499.5175.5-170.90000109.8R262 C263 K381 V382 F384 F408R262-C379 VanDerWaalsContact C-SG 3.54Å; R262-C379 PolarHBondContact O-SG 2.9Å; C263-C379 HydrophobicContact CB-CB 4Å; C379-K381 PolarHBondContact O-N 3.41Å; C379-K381 VanDerWaalsContact O-N 3.13Å; C379-V382 PolarHBondContact N-O 3.36Å; C379-V382 PolarHBondContact O-N 3.26Å; C379-F384 HydrophobicContact CB-CD2 4.31Å; C379-F384 HydrophobicContact CB-CE2 4.22Å; C379-F408 HydrophobicContact CB-CE1 4.18Å; C379-F408 HydrophobicContact CB-CZ 4.05Å
380G93.6Very high96.5Very high62 Ų6258.2 Ų58.264%0.63932%0.322SS*.THydrogen-bonded Turntrans60.6-117.2-174.100000110.7Q378Q378-G380 PolarHBondContact NE2-O 3.09Å
381K93.9Very high96.5Very high163 Ų16361 Ų6171%0.70934%0.336SS*.THydrogen-bonded Turntrans-90.9-6.5177.8-64.5-176.8-177.7176.90113.8R291 C379R291-K381 PolarHBondContact NE-O 2.94Å; R291-K381 PolarHBondContact NH2-O 2.99Å; C379-K381 PolarHBondContact O-N 3.41Å; C379-K381 VanDerWaalsContact O-N 3.13Å
382V97.6Very high96.6Very high0 Ų059.2 Ų59.20%033%0.331CS..EExtended strand (participates in β ladder)trans-105.1131.2-174.1-174.20000109.9V289 D290 R291 V293 C379 F384 F408 A410V289-V382 HydrophobicContact CB-CG1 4.09Å; V289-V382 HydrophobicContact CG1-CG1 3.96Å; D290-V382 WeakPolarHBondContact OD1-CA 3.27Å; R291-V382 HydrophobicContact CG-CG1 4.35Å; R291-V382 HydrophobicContact CG-CG2 4.02Å; V293-V382 HydrophobicContact CG1-CB 4.49Å; V293-V382 HydrophobicContact CG1-CG1 3.9Å; V293-V382 HydrophobicContact CG1-CG2 3.74Å; C379-V382 PolarHBondContact N-O 3.36Å; C379-V382 PolarHBondContact O-N 3.26Å; V382-F384 HydrophobicContact CB-CD2 4.4Å; V382-F384 HydrophobicContact CB-CE2 3.87Å; V382-F384 HydrophobicContact CG1-CD2 3.86Å; V382-F384 HydrophobicContact CG1-CE2 3.41Å; V382-F384 VanDerWaalsContact CG1-CE2 3.41Å; V382-F384 HydrophobicContact CG1-CZ 3.98Å; V382-F408 HydrophobicContact CB-CE2 4.16Å; V382-F408 HydrophobicContact CB-CZ 4.28Å; V382-F408 HydrophobicContact CG2-CE2 3.7Å; V382-F408 HydrophobicContact CG2-CZ 4.27Å; V382-A410 HydrophobicContact CG2-CB 3.56Å
383A98.1Very high96.5Very high14 Ų1458.3 Ų58.312%0.11633%0.333CS..EExtended strand (participates in β ladder)trans-97.4129.1169.300000109.5V289 D290V289-A383 VanDerWaalsContact CA-O 3.32Å; V289-A383 WeakPolarHBondContact CA-O 3.3Å; D290-A383 HydrophobicContact CB-CB 4.06Å; D290-A383 PolarHBondContact N-O 3.29Å; D290-A383 VanDerWaalsContact N-O 3.1Å; D290-A383 PolarHBondContact OD1-N 2.92Å
384F98.5Very high96.4Very high1 Ų159.2 Ų59.20%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-107.4132.9175.6-74.4-101.7000109.7C263 F287 A288 V289 I295 E376 V377 C379 V382 F386 L406 F408C263-F384 HydrophobicContact CB-CD1 4.4Å; C263-F384 HydrophobicContact CB-CD2 3.76Å; C263-F384 HydrophobicContact CB-CE1 4.36Å; C263-F384 HydrophobicContact CB-CE2 3.72Å; C263-F384 HydrophobicContact CB-CG 4.11Å; C263-F384 HydrophobicContact CB-CZ 4.04Å; C263-F384 WeakPolarHBondContact SG-CD2 3.38Å; C263-F384 VanDerWaalsContact SG-CG 3.53Å; F287-F384 HydrophobicContact CD2-CD1 4.1Å; F287-F384 HydrophobicContact CD2-CE1 4.25Å; A288-F384 WeakPolarHBondContact O-CA 3.3Å; V289-F384 HydrophobicContact CG1-CD1 3.48Å; V289-F384 VanDerWaalsContact CG1-CD1 3.48Å; V289-F384 HydrophobicContact CG1-CD2 4.39Å; V289-F384 HydrophobicContact CG1-CE1 3.35Å; V289-F384 HydrophobicContact CG1-CE2 4.28Å; V289-F384 HydrophobicContact CG1-CG 4.02Å; V289-F384 HydrophobicContact CG1-CZ 3.77Å; I295-F384 HydrophobicContact CD1-CE1 4.4Å; E376-F384 CarbonylContact C-O 3.56Å; E376-F384 WeakPolarHBondContact CA-O 3.44Å; V377-F384 PolarHBondContact N-O 3Å; V377-F384 PolarHBondContact O-N 3.18Å; C379-F384 HydrophobicContact CB-CD2 4.31Å; C379-F384 HydrophobicContact CB-CE2 4.22Å; V382-F384 HydrophobicContact CB-CD2 4.4Å; V382-F384 HydrophobicContact CB-CE2 3.87Å; V382-F384 HydrophobicContact CG1-CD2 3.86Å; V382-F384 HydrophobicContact CG1-CE2 3.41Å; V382-F384 VanDerWaalsContact CG1-CE2 3.41Å; V382-F384 HydrophobicContact CG1-CZ 3.98Å; F384-F386 HydrophobicContact CB-CD2 4.47Å; F384-F386 HydrophobicContact CB-CE2 3.66Å; F384-F386 HydrophobicContact CB-CZ 3.88Å; F384-F386 HydrophobicContact CD1-CZ 4.35Å; F384-F386 HydrophobicContact CG-CZ 4.4Å; F384-L406 HydrophobicContact CD1-CD1 3.78Å; F384-L406 HydrophobicContact CE1-CB 4.32Å; F384-L406 HydrophobicContact CE1-CD1 3.79Å; F384-F408 HydrophobicContact CE2-CD1 4.08Å; F384-F408 AromaticContact CE2-CE1 3.57Å; F384-F408 HydrophobicContact CE2-CE1 3.57Å; F384-F408 HydrophobicContact CE2-CE2 4.28Å; F384-F408 AromaticContact CE2-CZ 3.68Å; F384-F408 HydrophobicContact CE2-CZ 3.68Å; F384-F408 AromaticContact CZ-CD1 3.61Å; F384-F408 HydrophobicContact CZ-CD1 3.61Å; F384-F408 HydrophobicContact CZ-CD2 4.31Å; F384-F408 AromaticContact CZ-CE1 3.62Å; F384-F408 HydrophobicContact CZ-CE1 3.62Å; F384-F408 HydrophobicContact CZ-CE2 4.32Å; F384-F408 AromaticContact CZ-CG 3.98Å; F384-F408 HydrophobicContact CZ-CG 3.98Å; F384-F408 AromaticContact CZ-CZ 3.99Å; F384-F408 HydrophobicContact CZ-CZ 3.99Å
385Q98.5Very high96.1Very high95 Ų9559.5 Ų59.544%0.44435%0.352SS..EExtended strand (participates in β ladder)trans-108.8135.4170-171.5-178.623.600109.5F287 A288 F354 T375F287-Q385 CarbonylContact C-O 3.48Å; F287-Q385 WeakPolarHBondContact CA-O 3.18Å; F287-Q385 WeakPolarHBondContact CB-O 3.33Å; A288-Q385 PolarHBondContact N-O 3.28Å; A288-Q385 PolarHBondContact O-N 3.29Å; F354-Q385 HydrophobicContact CZ-CG 4.45Å; T375-Q385 CarbonylContact O-C 3.46Å; T375-Q385 WeakPolarHBondContact O-CA 3.26Å
386F98.5Very high96Very high5 Ų555.6 Ų55.62%0.02233%0.328CS..EExtended strand (participates in β ladder)trans-117.7140.7-178-65-82.1000112.7R265 I285 Q286 F287 T375 V377 F384 L406R265-F386 HydrophobicContact CB-CD2 4.3Å; R265-F386 HydrophobicContact CB-CE2 3.87Å; R265-F386 HydrophobicContact CB-CZ 4Å; I285-F386 HydrophobicContact CG1-CD1 3.95Å; Q286-F386 WeakPolarHBondContact O-CA 3.44Å; F287-F386 HydrophobicContact CB-CD1 3.85Å; F287-F386 HydrophobicContact CB-CE1 3.9Å; T375-F386 PolarHBondContact O-N 2.94Å; V377-F386 HydrophobicContact CB-CE2 4.2Å; V377-F386 HydrophobicContact CG2-CD2 4.29Å; V377-F386 HydrophobicContact CG2-CE2 3.79Å; F384-F386 HydrophobicContact CB-CD2 4.47Å; F384-F386 HydrophobicContact CB-CE2 3.66Å; F384-F386 HydrophobicContact CB-CZ 3.88Å; F384-F386 HydrophobicContact CD1-CZ 4.35Å; F384-F386 HydrophobicContact CG-CZ 4.4Å; F386-L406 HydrophobicContact CE1-CD1 3.73Å; F386-L406 HydrophobicContact CE1-CG 4.28Å; F386-L406 HydrophobicContact CZ-CD1 4.08Å
387Q97.8Very high96Very high77 Ų7750 Ų5036%0.3630%0.304SS..EExtended strand (participates in β ladder)trans-137.2155.8175.1-63.9-175.17.900111.1I285 Q286 F354I285-Q387 WeakPolarHBondContact CD1-O 3.38Å; Q286-Q387 HydrophobicContact CB-CB 4.2Å; Q286-Q387 PolarHBondContact N-O 3.22Å; Q286-Q387 PolarHBondContact O-N 3.19Å; F354-Q387 HydrophobicContact CE1-CB 4.32Å; F354-Q387 HydrophobicContact CE1-CG 3.77Å; F354-Q387 HydrophobicContact CZ-CG 4.07Å
388C97.3Very high95.9Very high84 Ų8450 Ų5057%0.56830%0.304SS*.EExtended strand (participates in β ladder)trans-64.4138.8175.4-67.30000110.6
389S96.8Very high95.7Very high10 Ų1050.3 Ų50.37%0.0731%0.306CS..  trans-96.7135.8172.8-179.20000110.6S284 T356 D391 S392S284-S389 WeakPolarHBondContact OG-CB 3.32Å; S284-S389 PolarHBondContact OG-OG 3.4Å; T356-S389 WeakPolarHBondContact CG2-OG 3.16Å; S389-D391 PolarHBondContact O-N 2.9Å; S389-D391 WeakPolarHBondContact OG-CB 3.29Å; S389-D391 PolarHBondContact OG-N 3.33Å; S389-D391 VanDerWaalsContact OG-N 3.15Å; S389-S392 PolarHBondContact O-N 3.5Å
390S94.3Very high95.6Very high112 Ų11250.3 Ų50.378%0.78331%0.31SS*.THydrogen-bonded Turntrans-61.9-19.9168.951.90000113.3S392S390-S392 VanDerWaalsContact C-N 3.27Å; S390-S392 PolarHBondContact O-N 3.23Å
391D94.6Very high95.7Very high58 Ų5847.4 Ų47.431%0.3128%0.279SS..THydrogen-bonded Turntrans-79.9-10.5-178-60.7-2.6000112.1C282 K317 S389 T393C282-D391 WeakPolarHBondContact CB-O 3.13Å; C282-D391 PolarHBondContact SG-O 2.78Å; C282-D391 VanDerWaalsContact SG-O 3.36Å; K317-D391 IonicContact NZ-OD2 3.77Å; S389-D391 PolarHBondContact O-N 2.9Å; S389-D391 WeakPolarHBondContact OG-CB 3.29Å; S389-D391 PolarHBondContact OG-N 3.33Å; S389-D391 VanDerWaalsContact OG-N 3.15Å; D391-T393 PolarHBondContact O-N 3.31Å
392S95.9Very high95.7Very high25 Ų2539.6 Ų39.618%0.17525%0.245CC..  trans-77.6118.1-179.6-165.40000111.3C282 S284 S389 S390 T396C282-S392 CarbonylContact O-C 3.58Å; C282-S392 WeakPolarHBondContact O-CA 3.44Å; C282-S392 PolarHBondContact O-OG 3.34Å; S284-S392 PolarHBondContact N-OG 2.98Å; S389-S392 PolarHBondContact O-N 3.5Å; S390-S392 VanDerWaalsContact C-N 3.27Å; S390-S392 PolarHBondContact O-N 3.23Å; S392-T396 WeakPolarHBondContact CB-O 3.28Å; S392-T396 PolarHBondContact OG-N 3.34Å; S392-T396 VanDerWaalsContact OG-N 3.16Å; S392-T396 PolarHBondContact OG-O 3.18Å
393T94.3Very high95.7Very high88 Ų8839.7 Ų39.754%0.5425%0.246SC..SBendtrans-113-5.9178.356.20000112.6C282 D391C282-T393 WeakPolarHBondContact CB-OG1 3.48Å; C282-T393 PolarHBondContact N-OG1 3.37Å; C282-T393 PolarHBondContact O-N 3.04Å; D391-T393 PolarHBondContact O-N 3.31Å
394N92.3Very high95.7Very high27 Ų2739 Ų3914%0.14424%0.24CC..SBendtrans-103.12.1177.3-152.827.8000113.7W276 R277 R281 C282 D283W276-N394 WeakPolarHBondContact CZ2-O 3.07Å; W276-N394 PolarHBondContact NE1-ND2 2.63Å; R277-N394 PolarHBondContact O-ND2 3.42Å; R281-N394 HydrophobicContact CB-CB 3.61Å; C282-N394 PolarHBondContact O-N 3.1Å; D283-N394 WeakPolarHBondContact OD1-CB 3.44Å; D283-N394 PolarHBondContact OD2-ND2 3.13Å
395G90.8Very high95.7Very high57 Ų5739.7 Ų39.759%0.58824%0.243SC*.  trans93.48.2174.200000115.1W276 G397W276-G395 VanDerWaalsContact CH2-C 3.47Å; G395-G397 PolarHBondContact O-N 2.79Å
396T95.4Very high95.7Very high6 Ų635.2 Ų35.24%0.03722%0.223CC..  trans-65.6127.8172.6-75.50000109.8W276 D283 S392 Q402W276-T396 WeakPolarHBondContact CZ2-OG1 3.49Å; D283-T396 WeakPolarHBondContact OD1-CB 3.29Å; D283-T396 PolarHBondContact OD1-OG1 2.62Å; S392-T396 WeakPolarHBondContact CB-O 3.28Å; S392-T396 PolarHBondContact OG-N 3.34Å; S392-T396 VanDerWaalsContact OG-N 3.16Å; S392-T396 PolarHBondContact OG-O 3.18Å; T396-Q402 WeakPolarHBondContact CG2-O 3.3Å; T396-Q402 PolarHBondContact OG1-N 3.13Å
397G96Very high95.6Very high10 Ų1035 Ų3510%0.10322%0.222CC..  trans-147.7-165173.600000110.8R265 G395 G400R265-G397 PolarHBondContact NH1-O 2.82Å; R265-G397 PolarHBondContact NH2-O 2.98Å; G395-G397 PolarHBondContact O-N 2.79Å; G397-G400 PolarHBondContact N-O 2.76Å
398V95.8Very high95.7Very high15 Ų1531.3 Ų31.39%0.09120%0.204CC..SBendtrans-64.3-48.6-179.7179.50000110.9R265 I285 G373 T375 G400R265-V398 PolarHBondContact NH1-O 2.71Å; I285-V398 HydrophobicContact CD1-CG2 4.29Å; G373-V398 CarbonylContact C-O 3.46Å; G373-V398 VanDerWaalsContact CA-O 3.23Å; G373-V398 WeakPolarHBondContact CA-O 3.18Å; T375-V398 HydrophobicContact CG2-CG1 3.66Å; V398-G400 PolarHBondContact O-N 2.79Å
399Q94.5Very high95.6Very high129 Ų12928.3 Ų28.360%0.60318%0.181SC*.SBendtrans-73.7-25.9-172.1-65.4-59.2-46.300114.9E372 G373E372-Q399 PolarHBondContact N-O 2.94Å; G373-Q399 PolarHBondContact N-O 3.14Å
400G94.3Very high95.2Very high19 Ų1931.6 Ų31.620%0.19621%0.209CC..SBendtrans-164.8158.1-175.700000113.2F266 G370 G397 V398F266-G400 VanDerWaalsContact CE1-CA 3.46Å; G370-G400 CarbonylContact O-C 3.57Å; G370-G400 WeakPolarHBondContact O-CA 3.3Å; G397-G400 PolarHBondContact N-O 2.76Å; V398-G400 PolarHBondContact O-N 2.79Å
401G94.3Very high95.2Very high0 Ų027.6 Ų27.60%018%0.18CC..BIsolated β-bridgetrans128.4-146169.700000115.9F266 G370F266-G401 VanDerWaalsContact CE2-O 3.3Å; F266-G401 WeakPolarHBondContact CE2-O 3.35Å; F266-G401 WeakPolarHBondContact CZ-O 3.43Å; G370-G401 PolarHBondContact N-O 3.27Å; G370-G401 PolarHBondContact O-N 3.3Å
402Q94.9Very high95.3Very high0 Ų025.9 Ų25.90%017%0.173CC..SBendtrans-94.7-180-178.4-67.8-64.7-40.800112.1R265 W276 Y278 D283 Y368 T396R265-Q402 PolarHBondContact NH2-O 3.33Å; W276-Q402 HydrophobicContact CD2-CG 4.45Å; W276-Q402 HydrophobicContact CZ2-CG 4.06Å; Y278-Q402 HydrophobicContact CE1-CG 3.93Å; Y278-Q402 PolarHBondContact OH-NE2 3.14Å; Y278-Q402 PolarHBondContact OH-OE1 3.42Å; D283-Q402 HydrophobicContact CB-CB 3.77Å; D283-Q402 HydrophobicContact CB-CG 4.41Å; Y368-Q402 PolarHBondContact O-NE2 3.22Å; T396-Q402 WeakPolarHBondContact CG2-O 3.3Å; T396-Q402 PolarHBondContact OG1-N 3.13Å
403I97.4Very high95.2Very high1 Ų126 Ų261%0.00517%0.173CC..  trans58.460.9-171-50.5166.3000109.2R265 I285 L298 L300 A357 A359 E405 L406R265-I403 WeakPolarHBondContact CD-O 3.31Å; R265-I403 PolarHBondContact NE-O 3.15Å; I285-I403 HydrophobicContact CG2-CB 4.31Å; I285-I403 HydrophobicContact CG2-CD1 4.18Å; I285-I403 HydrophobicContact CG2-CG2 4.08Å; L298-I403 HydrophobicContact CD1-CD1 4.45Å; L298-I403 HydrophobicContact CD1-CG1 4.4Å; L298-I403 HydrophobicContact CD1-CG2 4.39Å; L298-I403 HydrophobicContact CD2-CG2 4.12Å; L300-I403 HydrophobicContact CD2-CG1 3.95Å; A357-I403 WeakPolarHBondContact O-CD1 3.2Å; A359-I403 HydrophobicContact CB-CD1 4.39Å; A359-I403 HydrophobicContact CB-CG1 4.32Å; I403-E405 PolarHBondContact O-N 2.83Å; I403-L406 HydrophobicContact CG2-CD2 4.15Å
404P97.3Very high95.3Very high0 Ų022.4 Ų22.40%015%0.152CC..  trans-61.8-29.5174.423.8-35.5000113.5H264 R265 F266 G299 Y301 T338H264-P404 CarbonylContact C-O 3.59Å; H264-P404 WeakPolarHBondContact CA-O 3.15Å; R265-P404 PolarHBondContact N-O 2.87Å; F266-P404 HydrophobicContact CD2-CB 3.82Å; F266-P404 HydrophobicContact CE2-CB 4.23Å; G299-P404 WeakPolarHBondContact O-CD 3.47Å; G299-P404 VanDerWaalsContact O-CG 3.28Å; G299-P404 WeakPolarHBondContact O-CG 3.37Å; Y301-P404 HydrophobicContact CD1-CG 4.48Å; Y301-P404 HydrophobicContact CD2-CB 4.15Å; Y301-P404 HydrophobicContact CD2-CG 3.72Å; Y301-P404 HydrophobicContact CE1-CG 4.41Å; Y301-P404 HydrophobicContact CE2-CB 3.53Å; Y301-P404 HydrophobicContact CE2-CG 3.64Å; Y301-P404 HydrophobicContact CG-CG 4.15Å; T338-P404 HydrophobicContact CG2-CB 3.92Å; T338-P404 HydrophobicContact CG2-CG 3.48Å; T338-P404 VanDerWaalsContact CG2-CG 3.48Å
405E97.9Very high95.5Very high15 Ų1522.1 Ų22.17%0.0715%0.152CC..EExtended strand (participates in β ladder)trans-130.3137.1-175.7-66.4172.3-167.900113.1R262 C263 H264 L298 G299 T338 I403R262-E405 WeakPolarHBondContact CD-OE2 3.21Å; R262-E405 IonicContact CZ-OE2 2.8Å; R262-E405 IonicContact NH1-OE2 2.63Å; R262-E405 PolarHBondContact NH1-OE2 2.95Å; C263-E405 VanDerWaalsContact O-CA 3.29Å; C263-E405 WeakPolarHBondContact O-CA 3.16Å; H264-E405 HydrophobicContact CB-CG 4.05Å; H264-E405 IonicContact CE1-OE1 3.58Å; H264-E405 VanDerWaalsContact ND1-CG 3.34Å; H264-E405 WeakPolarHBondContact ND1-CG 3.27Å; H264-E405 IonicContact ND1-OE1 2.86Å; H264-E405 PolarHBondContact ND1-OE1 2.95Å; L298-E405 WeakPolarHBondContact CA-O 3.48Å; G299-E405 PolarHBondContact N-O 2.93Å; G299-E405 PolarHBondContact O-N 2.9Å; T338-E405 WeakPolarHBondContact CB-OE1 3.19Å; T338-E405 HydrophobicContact CG2-CG 4.27Å; T338-E405 WeakPolarHBondContact CG2-OE1 3.36Å; T338-E405 PolarHBondContact OG1-OE1 3.36Å; T338-E405 PolarHBondContact OG1-OE2 2.73Å; I403-E405 PolarHBondContact O-N 2.83Å
406L98.5Very high95.8Very high2 Ų219.7 Ų19.71%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-96.7126.3156.4-60.2-179.9000108.5C263 F287 L298 A357 F384 F386 I403C263-L406 HydrophobicContact CB-CB 4.41Å; C263-L406 PolarHBondContact N-O 2.8Å; C263-L406 PolarHBondContact O-N 3.26Å; C263-L406 VanDerWaalsContact O-N 3.15Å; F287-L406 HydrophobicContact CB-CD1 3.98Å; F287-L406 HydrophobicContact CD1-CD1 3.71Å; F287-L406 HydrophobicContact CD2-CD1 3.61Å; F287-L406 HydrophobicContact CE1-CD1 4.1Å; F287-L406 HydrophobicContact CE1-CD2 4.5Å; F287-L406 HydrophobicContact CE2-CD1 4Å; F287-L406 HydrophobicContact CG-CD1 3.46Å; F287-L406 VanDerWaalsContact CG-CD1 3.46Å; F287-L406 HydrophobicContact CZ-CD1 4.24Å; L298-L406 HydrophobicContact CD2-CD2 3.53Å; A357-L406 HydrophobicContact CB-CD2 4.05Å; F384-L406 HydrophobicContact CD1-CD1 3.78Å; F384-L406 HydrophobicContact CE1-CB 4.32Å; F384-L406 HydrophobicContact CE1-CD1 3.79Å; F386-L406 HydrophobicContact CE1-CD1 3.73Å; F386-L406 HydrophobicContact CE1-CG 4.28Å; F386-L406 HydrophobicContact CZ-CD1 4.08Å; I403-L406 HydrophobicContact CG2-CD2 4.15Å
407I98.4Very high95.8Very high0 Ų020.7 Ų20.70%013%0.129CC..EExtended strand (participates in β ladder)trans-101.6126.8179.1-49.5173.5000108.3P260 Q261 R262 A296 G297 P340 W342P260-I407 HydrophobicContact CB-CG2 3.7Å; Q261-I407 WeakPolarHBondContact O-CA 3.3Å; R262-I407 HydrophobicContact CG-CG1 4.47Å; A296-I407 PolarHBondContact N-O 2.88Å; G297-I407 PolarHBondContact N-O 2.96Å; G297-I407 PolarHBondContact O-N 2.95Å; P340-I407 HydrophobicContact CB-CD1 3.52Å; W342-I407 HydrophobicContact CE3-CG2 4.43Å; W342-I407 HydrophobicContact CH2-CD1 4.33Å; W342-I407 HydrophobicContact CH2-CG2 3.58Å; W342-I407 HydrophobicContact CZ2-CD1 4.48Å; W342-I407 HydrophobicContact CZ3-CB 4.3Å; W342-I407 HydrophobicContact CZ3-CD1 4.5Å; W342-I407 HydrophobicContact CZ3-CG2 3.45Å; W342-I407 VanDerWaalsContact CZ3-CG2 3.45Å
408F98.1Very high95.8Very high0 Ų021.5 Ų21.50%013%0.131CC..EExtended strand (participates in β ladder)trans-149.2165.8-170.170.8-82.5000114.2Q261 C263 V293 F294 I295 C379 V382 F384 A410Q261-F408 HydrophobicContact CB-CD1 4.07Å; Q261-F408 HydrophobicContact CB-CD2 4.21Å; Q261-F408 HydrophobicContact CB-CE1 3.58Å; Q261-F408 HydrophobicContact CB-CE2 3.74Å; Q261-F408 HydrophobicContact CB-CG 4.36Å; Q261-F408 HydrophobicContact CB-CZ 3.4Å; Q261-F408 VanDerWaalsContact CB-CZ 3.4Å; Q261-F408 HydrophobicContact CG-CE2 4.37Å; Q261-F408 HydrophobicContact CG-CZ 4.31Å; Q261-F408 PolarHBondContact N-O 2.91Å; Q261-F408 PolarHBondContact O-N 3.15Å; C263-F408 HydrophobicContact CB-CE1 4Å; V293-F408 HydrophobicContact CB-CD2 4.15Å; V293-F408 HydrophobicContact CG1-CD2 4.12Å; V293-F408 HydrophobicContact CG1-CE2 4.45Å; F294-F408 CarbonylContact O-C 3.56Å; F294-F408 WeakPolarHBondContact O-CA 3.42Å; F294-F408 WeakPolarHBondContact O-CB 3.42Å; I295-F408 HydrophobicContact CD1-CB 3.9Å; C379-F408 HydrophobicContact CB-CE1 4.18Å; C379-F408 HydrophobicContact CB-CZ 4.05Å; V382-F408 HydrophobicContact CB-CE2 4.16Å; V382-F408 HydrophobicContact CB-CZ 4.28Å; V382-F408 HydrophobicContact CG2-CE2 3.7Å; V382-F408 HydrophobicContact CG2-CZ 4.27Å; F384-F408 HydrophobicContact CE2-CD1 4.08Å; F384-F408 AromaticContact CE2-CE1 3.57Å; F384-F408 HydrophobicContact CE2-CE1 3.57Å; F384-F408 HydrophobicContact CE2-CE2 4.28Å; F384-F408 AromaticContact CE2-CZ 3.68Å; F384-F408 HydrophobicContact CE2-CZ 3.68Å; F384-F408 AromaticContact CZ-CD1 3.61Å; F384-F408 HydrophobicContact CZ-CD1 3.61Å; F384-F408 HydrophobicContact CZ-CD2 4.31Å; F384-F408 AromaticContact CZ-CE1 3.62Å; F384-F408 HydrophobicContact CZ-CE1 3.62Å; F384-F408 HydrophobicContact CZ-CE2 4.32Å; F384-F408 AromaticContact CZ-CG 3.98Å; F384-F408 HydrophobicContact CZ-CG 3.98Å; F384-F408 AromaticContact CZ-CZ 3.99Å; F384-F408 HydrophobicContact CZ-CZ 3.99Å; F408-A410 HydrophobicContact CD2-CB 3.81Å; F408-A410 HydrophobicContact CE2-CB 3.6Å
409Y96.6Very high95.8Very high20 Ų2022.1 Ų22.18%0.07814%0.135CC..EExtended strand (participates in β ladder)trans-115.5138.6166.9-50.5-63.6000109.3L258 P260 V293 F294 A296 P346L258-Y409 HydrophobicContact CB-CD1 3.43Å; L258-Y409 VanDerWaalsContact CB-CD1 3.43Å; L258-Y409 HydrophobicContact CB-CE1 3.53Å; L258-Y409 HydrophobicContact CB-CG 4Å; L258-Y409 HydrophobicContact CD1-CD1 4.04Å; L258-Y409 HydrophobicContact CD1-CD2 3.94Å; L258-Y409 HydrophobicContact CD1-CE2 4.48Å; L258-Y409 HydrophobicContact CD1-CG 3.7Å; L258-Y409 HydrophobicContact CG-CD1 4.37Å; P260-Y409 HydrophobicContact CB-CD1 4.45Å; P260-Y409 HydrophobicContact CB-CE1 3.79Å; V293-Y409 WeakPolarHBondContact CB-O 3.17Å; F294-Y409 HydrophobicContact CB-CD2 4.33Å; F294-Y409 PolarHBondContact N-O 2.85Å; F294-Y409 PolarHBondContact O-N 3.24Å; A296-Y409 HydrophobicContact CB-CD2 4.09Å; A296-Y409 HydrophobicContact CB-CE2 3.52Å; P346-Y409 HydrophobicContact CB-CD2 4.18Å; P346-Y409 HydrophobicContact CB-CE2 4.22Å; P346-Y409 HydrophobicContact CG-CD2 4.03Å; P346-Y409 HydrophobicContact CG-CE2 3.62Å
410A87.4Confident95.9Very high79 Ų7912.4 Ų12.465%0.6539%0.092SC*.  trans-146.80-17700000111.9V293 V382 F408V293-A410 HydrophobicContact CB-CB 4.44Å; V293-A410 HydrophobicContact CG1-CB 3.75Å; V382-A410 HydrophobicContact CG2-CB 3.56Å; F408-A410 HydrophobicContact CD2-CB 3.81Å; F408-A410 HydrophobicContact CE2-CB 3.6Å

Retrieved 410 of 410 residues in 1225.1 ms (Link to these results)

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