A0A060WA28_ONCMY Loading...

RNA polymerase II subunit A C-terminal domain phosphatase SSU72

Protein phosphatase that catalyzes the dephosphorylation of the C-terminal domain of RNA polymerase II. Plays a role in RNA processing and termination.

AlphaFold DB (A0A673ZCI8), UniProt , Accession A0A060WA28, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110528064, Length 194 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.9Very low80Confident229 Ų22964.6 Ų64.6100%1.12835%0.347SS*.  0122.30-73.3-107.5-17300104.5S3M1-S3 PolarHBondContact O-N 2.71Å
2P47.3Very low81.5Confident57 Ų5759.5 Ų59.537%0.3732%0.32SS..  trans-53.9139.9175.325.3-33.6000107.9H4 Q163P2-H4 PolarHBondContact O-N 2.62Å; P2-Q163 HydrophobicContact CG-CG 3.84Å; P2-Q163 WeakPolarHBondContact CG-O 2.9Å
3S59.3Low82.8Confident115 Ų11556.9 Ų56.980%0.80431%0.309SS*.SBendtrans-58.4-35.6-170.251.60000111.1M1M1-S3 PolarHBondContact O-N 2.71Å
4H68.1Low84Confident152 Ų15253.9 Ų53.970%0.70429%0.294SS*.SBendtrans-136.9151175.8-66.1-9.9000111.9P2P2-H4 PolarHBondContact O-N 2.62Å
5P82.8Confident84.9Confident74 Ų7450.3 Ų50.348%0.48127%0.274SS..  trans-68.8133.3177.527.5-32.7000111.6R7P5-R7 PolarHBondContact O-N 3.28Å
6L91.1Very high85.8Confident9 Ų947.5 Ų47.55%0.04726%0.259CS..  trans-59.3122.1179.4-172.672.7000111.4V8 F31 D106 L107 C159 I162 M168L6-V8 HydrophobicContact CB-CG2 4.46Å; L6-V8 HydrophobicContact CD2-CG2 3.71Å; L6-V8 HydrophobicContact CG-CG2 3.76Å; L6-F31 HydrophobicContact CD2-CE1 4.4Å; L6-D106 HydrophobicContact CD1-CB 3.72Å; L6-L107 HydrophobicContact CD1-CB 4.45Å; L6-L107 HydrophobicContact CD2-CD2 4.12Å; L6-C159 HydrophobicContact CD2-CB 4.45Å; L6-I162 HydrophobicContact CD1-CG2 4.38Å; L6-I162 HydrophobicContact CD2-CG2 4.13Å; L6-M168 HydrophobicContact CD1-CE 3.41Å; L6-M168 VanDerWaalsContact CD1-CE 3.41Å; L6-M168 HydrophobicContact CD1-SD 4.44Å
7R96.6Very high86.5Confident75 Ų7545.3 Ų45.328%0.28325%0.247SC..EExtended strand (participates in β ladder)trans-92110.7177.2-56.6-17969.3-133.5-9.8109.5P5 E32 Q104 D106 L107P5-R7 PolarHBondContact O-N 3.28Å; R7-E32 WeakPolarHBondContact CA-O 3.29Å; R7-E32 HydrophobicContact CG-CB 4.41Å; R7-E32 HydrophobicContact CG-CG 4.4Å; R7-E32 IonicContact CZ-OE1 3.13Å; R7-E32 IonicContact NE-OE1 3.44Å; R7-E32 PolarHBondContact NE-OE1 3.19Å; R7-E32 IonicContact NE-OE2 3.76Å; R7-E32 IonicContact NH2-OE1 3.67Å; R7-E32 PolarHBondContact NH2-OE1 3.43Å; R7-Q104 PolarHBondContact NH1-O 3.3Å; R7-Q104 PolarHBondContact NH2-O 3.01Å; R7-D106 WeakPolarHBondContact CB-OD2 3.23Å; R7-D106 PolarHBondContact N-OD2 2.95Å; R7-D106 PolarHBondContact O-N 2.98Å; R7-L107 PolarHBondContact O-N 3.26Å
8V98.3Very high87.2Confident0 Ų043 Ų430%023%0.234CC..EExtended strand (participates in β ladder)trans-111.9135.2-170.1-174.90000111.3L6 V10 L26 F31 E32 V33 R34 L107 I109L6-V8 HydrophobicContact CB-CG2 4.46Å; L6-V8 HydrophobicContact CD2-CG2 3.71Å; L6-V8 HydrophobicContact CG-CG2 3.76Å; V8-V10 HydrophobicContact CG1-CG2 4.22Å; V8-L26 HydrophobicContact CG1-CD1 4.13Å; V8-F31 HydrophobicContact CG2-CD1 4.32Å; V8-E32 PolarHBondContact N-O 2.93Å; V8-V33 CarbonylContact O-C 3.52Å; V8-V33 VanDerWaalsContact O-CA 3.29Å; V8-V33 WeakPolarHBondContact O-CA 3.17Å; V8-R34 PolarHBondContact O-N 3.06Å; V8-L107 CarbonylContact C-O 3.47Å; V8-L107 WeakPolarHBondContact CA-O 3.45Å; V8-I109 HydrophobicContact CG1-CD1 4.28Å
9A98.8Very high87.8Confident0 Ų040.7 Ų40.70%022%0.222CC..EExtended strand (participates in β ladder)trans-112.1130.6164.100000110.7R34 F36 F105 L107 V108 I109A9-R34 CarbonylContact C-O 3.47Å; A9-R34 WeakPolarHBondContact CA-O 3.37Å; A9-F36 HydrophobicContact CB-CD2 4.14Å; A9-F36 HydrophobicContact CB-CE2 3.95Å; A9-F105 HydrophobicContact CB-CB 4.37Å; A9-F105 HydrophobicContact CB-CD1 3.8Å; A9-F105 HydrophobicContact CB-CD2 3.63Å; A9-F105 HydrophobicContact CB-CE1 3.96Å; A9-F105 HydrophobicContact CB-CE2 3.8Å; A9-F105 HydrophobicContact CB-CG 3.64Å; A9-F105 HydrophobicContact CB-CZ 3.97Å; A9-L107 PolarHBondContact N-O 3.28Å; A9-V108 HydrophobicContact CB-CG1 4.5Å; A9-V108 HydrophobicContact CB-CG2 4.22Å; A9-V108 CarbonylContact O-C 3.13Å; A9-V108 WeakPolarHBondContact O-CA 3.43Å; A9-I109 PolarHBondContact O-N 2.87Å
10V98.9Very high88.4Confident0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-110127.6171-167.50000110.7V8 S19 A22 L26 V33 R34 S35 F36 I109 I155V8-V10 HydrophobicContact CG1-CG2 4.22Å; V10-S19 WeakPolarHBondContact O-CB 3.49Å; V10-A22 HydrophobicContact CB-CB 4.28Å; V10-A22 HydrophobicContact CG1-CB 3.8Å; V10-A22 HydrophobicContact CG2-CB 4.09Å; V10-L26 HydrophobicContact CG2-CD1 3.65Å; V10-V33 HydrophobicContact CG2-CG2 4.31Å; V10-R34 PolarHBondContact N-O 3.04Å; V10-S35 CarbonylContact O-C 3.55Å; V10-S35 WeakPolarHBondContact O-CA 3.45Å; V10-S35 WeakPolarHBondContact O-CB 3.26Å; V10-F36 PolarHBondContact O-N 3.45Å; V10-I109 CarbonylContact C-O 3.56Å; V10-I109 WeakPolarHBondContact CA-O 3.36Å; V10-I155 HydrophobicContact CG1-CD1 4.15Å; V10-I155 HydrophobicContact CG2-CG2 4.45Å
11V98.9Very high88.9Confident0 Ų038.2 Ų38.20%021%0.207CC..EExtended strand (participates in β ladder)trans-124.9127.4-168.7-165.60000110.6F36 T38 F98 V108 I109 T110 C111 V115 V119V11-F36 WeakPolarHBondContact CA-O 3.38Å; V11-F36 HydrophobicContact CG1-CB 4.19Å; V11-F36 HydrophobicContact CG2-CB 4.33Å; V11-F36 HydrophobicContact CG2-CD2 4.44Å; V11-T38 HydrophobicContact CG1-CG2 3.67Å; V11-F98 HydrophobicContact CG1-CB 4.23Å; V11-F98 HydrophobicContact CG1-CD2 4.46Å; V11-F98 HydrophobicContact CG1-CG 4.47Å; V11-F98 HydrophobicContact CG2-CD2 3.76Å; V11-F98 HydrophobicContact CG2-CE2 4.08Å; V11-V108 HydrophobicContact CG2-CG1 3.76Å; V11-I109 PolarHBondContact N-O 2.68Å; V11-T110 HydrophobicContact CB-CG2 4.32Å; V11-T110 WeakPolarHBondContact O-CA 3.38Å; V11-C111 PolarHBondContact O-N 3.22Å; V11-C111 PolarHBondContact O-SG 3.5Å; V11-C111 VanDerWaalsContact O-SG 3.35Å; V11-V115 HydrophobicContact CB-CG1 4.07Å; V11-V115 HydrophobicContact CG1-CG1 3.69Å; V11-V119 HydrophobicContact CB-CG2 4.3Å; V11-V119 HydrophobicContact CG1-CG2 3.98Å; V11-V119 HydrophobicContact CG2-CG2 4.36Å
12C98.6Very high91.7Very high3 Ų327.3 Ų27.32%0.0215%0.153CC..EExtended strand (participates in β ladder)trans-126.4-164.9168.878.20000110.4N15 R18 S19 F36 G37 T38 C111C12-N15 PolarHBondContact SG-N 2.94Å; C12-R18 HydrophobicContact CB-CB 4.18Å; C12-S19 PolarHBondContact SG-OG 3.33Å; C12-F36 PolarHBondContact N-O 3.42Å; C12-G37 CarbonylContact O-C 3.53Å; C12-G37 WeakPolarHBondContact O-CA 3.37Å; C12-T38 PolarHBondContact O-N 3.45Å; C12-C111 HydrophobicContact CB-CB 4.01Å
13S98.5Very high94.1Very high26 Ų2625.6 Ų25.618%0.18214%0.14CC..SBendtrans-71.8-55.1179.9-172.50000113.1G37 T38 G39S13-G37 CarbonylContact O-C 3.55Å; S13-G37 WeakPolarHBondContact O-CA 3.25Å; S13-T38 PolarHBondContact O-N 3.05Å; S13-G39 WeakPolarHBondContact O-CA 3.44Å; S13-G39 PolarHBondContact O-N 3.18Å
14S98.6Very high96Very high14 Ų1421.4 Ų21.410%0.09811%0.109CC..SBendtrans-108.6-0.1-169.1-72.60000114.7Q16 K43S14-Q16 VanDerWaalsContact C-N 3.28Å; S14-Q16 PolarHBondContact O-N 3.32Å; S14-K43 PolarHBondContact OG-N 3.32Å
15N98.8Very high97.4Very high0 Ų015 Ų150%08%0.079CC..SBendtrans50.146.2-169.9-159.349.2000113.6C12 S19 M20 S35 F36 Y61 K92 P95C12-N15 PolarHBondContact SG-N 2.94Å; N15-S19 WeakPolarHBondContact CA-OG 3.46Å; N15-S19 PolarHBondContact OD1-OG 2.97Å; N15-M20 WeakPolarHBondContact O-CG 3.48Å; N15-S35 VanDerWaalsContact OD1-C 3.29Å; N15-S35 WeakPolarHBondContact OD1-CB 3.5Å; N15-S35 PolarHBondContact OD1-OG 3.05Å; N15-F36 WeakPolarHBondContact OD1-CA 3.46Å; N15-F36 PolarHBondContact OD1-N 3.01Å; N15-F36 VanDerWaalsContact OD1-N 3.12Å; N15-F36 PolarHBondContact OD1-O 2.88Å; N15-Y61 PolarHBondContact ND2-OH 3.46Å; N15-Y61 PolarHBondContact O-OH 2.89Å; N15-K92 WeakPolarHBondContact ND2-CE 3.38Å; N15-K92 PolarHBondContact ND2-NZ 3.07Å; N15-P95 HydrophobicContact CB-CB 3.86Å; N15-P95 WeakPolarHBondContact ND2-CA 3.11Å
16Q98.6Very high98.1Very high6 Ų611.4 Ų11.43%0.0286%0.056CC..SBendtrans-118.4-57.5-175.9-76.3-68-3.800112.6S14 M20 V42 L44 M64 M84 R87 N88S14-Q16 VanDerWaalsContact C-N 3.28Å; S14-Q16 PolarHBondContact O-N 3.32Å; Q16-M20 WeakPolarHBondContact O-CB 3.32Å; Q16-V42 HydrophobicContact CG-CG1 3.78Å; Q16-L44 HydrophobicContact CB-CD2 4.11Å; Q16-L44 HydrophobicContact CG-CD2 3.77Å; Q16-L44 HydrophobicContact CG-CG 4.37Å; Q16-M64 PolarHBondContact NE2-SD 3.04Å; Q16-M84 HydrophobicContact CB-SD 4.13Å; Q16-R87 PolarHBondContact O-NH2 3.08Å; Q16-N88 PolarHBondContact O-ND2 3.01Å; Q16-N88 PolarHBondContact O-OD1 2.9Å; Q16-N88 PolarHBondContact OE1-ND2 3.4Å
17N98.3Very high98.5Very high10 Ų1014.1 Ų14.15%0.0538%0.076CC..SBendtrans-101.1-87.3-170.5-175.528000111.5S19 M20 E21 M84 D143 N144 A148N17-S19 PolarHBondContact O-N 2.95Å; N17-M20 PolarHBondContact O-N 3.24Å; N17-E21 PolarHBondContact O-N 3.48Å; N17-M84 HydrophobicContact CB-CE 3.88Å; N17-M84 HydrophobicContact CB-SD 3.93Å; N17-D143 WeakPolarHBondContact CB-OD1 3.26Å; N17-D143 PolarHBondContact ND2-OD1 3.44Å; N17-N144 PolarHBondContact ND2-O 3.01Å; N17-N144 VanDerWaalsContact ND2-O 3.08Å; N17-A148 WeakPolarHBondContact OD1-CB 3.24Å
18R98.7Very high98.5Very high4 Ų417.9 Ų17.92%0.01510%0.095CC..Hα-helixtrans-51.8-57.5-172.7-63.3169.3-78.9169.8-2114.2C12 M20 E21 A22 C111 E112 I141 D143 A148C12-R18 HydrophobicContact CB-CB 4.18Å; R18-M20 VanDerWaalsContact C-N 3.3Å; R18-M20 PolarHBondContact O-N 2.98Å; R18-E21 PolarHBondContact O-N 3.31Å; R18-A22 PolarHBondContact O-N 3.26Å; R18-A22 VanDerWaalsContact O-N 3.08Å; R18-C111 HydrophobicContact CB-CB 3.89Å; R18-C111 PolarHBondContact NH1-O 3.45Å; R18-E112 IonicContact CZ-OE1 3.09Å; R18-E112 IonicContact CZ-OE2 3.65Å; R18-E112 IonicContact NH1-OE1 2.81Å; R18-E112 IonicContact NH1-OE2 3.52Å; R18-E112 PolarHBondContact NH1-OE2 2.92Å; R18-E112 IonicContact NH2-OE1 3.85Å; R18-E112 PolarHBondContact NH2-OE1 3.4Å; R18-E112 VanDerWaalsContact NH2-OE1 3.13Å; R18-E112 IonicContact NH2-OE2 2.63Å; R18-E112 PolarHBondContact NH2-OE2 3.41Å; R18-I141 WeakPolarHBondContact CD-O 3.32Å; R18-I141 HydrophobicContact CG-CB 4.38Å; R18-I141 HydrophobicContact CG-CG2 3.82Å; R18-I141 PolarHBondContact NH1-O 3.43Å; R18-D143 IonicContact CZ-OD2 2.65Å; R18-D143 IonicContact NE-OD1 2.79Å; R18-D143 PolarHBondContact NE-OD1 3.14Å; R18-D143 IonicContact NE-OD2 3.57Å; R18-D143 PolarHBondContact NE-OD2 3.46Å; R18-D143 IonicContact NH2-OD2 3.94Å; R18-D143 PolarHBondContact NH2-OD2 3.49Å; R18-A148 HydrophobicContact CG-CB 4.06Å
19S98.8Very high98.3Very high0 Ų025.3 Ų25.30%012%0.122CC..Hα-helixtrans-64.4-31.6-179.365.30000113.8V10 C12 N15 N17 H23V10-S19 WeakPolarHBondContact O-CB 3.49Å; C12-S19 PolarHBondContact SG-OG 3.33Å; N15-S19 WeakPolarHBondContact CA-OG 3.46Å; N15-S19 PolarHBondContact OD1-OG 2.97Å; N17-S19 PolarHBondContact O-N 2.95Å; S19-H23 VanDerWaalsContact O-CB 3.28Å; S19-H23 WeakPolarHBondContact O-CB 3.28Å; S19-H23 PolarHBondContact O-N 2.92Å
20M98.8Very high98.1Very high0 Ų028.3 Ų28.30%015%0.154CC..Hα-helixtrans-80.5-31.4-179.5-71.1-61.6-63.400112.3N15 Q16 N17 R18 N24 S35 Y61 N88 I91 K92N15-M20 WeakPolarHBondContact O-CG 3.48Å; Q16-M20 WeakPolarHBondContact O-CB 3.32Å; N17-M20 PolarHBondContact O-N 3.24Å; R18-M20 VanDerWaalsContact C-N 3.3Å; R18-M20 PolarHBondContact O-N 2.98Å; M20-N24 WeakPolarHBondContact O-CB 3.21Å; M20-N24 PolarHBondContact O-N 3.17Å; M20-S35 PolarHBondContact SD-OG 2.94Å; M20-Y61 HydrophobicContact CE-CE2 4.31Å; M20-N88 VanDerWaalsContact CB-OD1 3.25Å; M20-N88 WeakPolarHBondContact CB-OD1 3.13Å; M20-N88 HydrophobicContact CE-CB 3.96Å; M20-I91 HydrophobicContact CE-CB 3.78Å; M20-I91 HydrophobicContact CE-CD1 3.88Å; M20-I91 HydrophobicContact CE-CG1 4.44Å; M20-I91 HydrophobicContact CE-CG2 3.76Å; M20-K92 HydrophobicContact CE-CG 4.21Å
21E98.8Very high98Very high28 Ų2829 Ų2913%0.13116%0.157CC..Hα-helixtrans-67.2-46170.7-165.358.1-120.500110.3N17 R18 H23 N24 I25 R87 A148 A152N17-E21 PolarHBondContact O-N 3.48Å; R18-E21 PolarHBondContact O-N 3.31Å; E21-H23 PolarHBondContact O-N 2.95Å; E21-N24 WeakPolarHBondContact O-CB 3.48Å; E21-N24 PolarHBondContact O-N 3.37Å; E21-N24 PolarHBondContact OE1-ND2 3.26Å; E21-I25 PolarHBondContact O-N 3.47Å; E21-I25 VanDerWaalsContact O-N 3.11Å; E21-R87 WeakPolarHBondContact OE2-CD 3.18Å; E21-R87 IonicContact OE2-CZ 3.26Å; E21-R87 IonicContact OE2-NE 2.73Å; E21-R87 IonicContact OE2-NH1 3.84Å; E21-R87 PolarHBondContact OE2-NH1 2.97Å; E21-A148 HydrophobicContact CB-CB 4.4Å; E21-A152 HydrophobicContact CB-CB 4.24Å; E21-A152 HydrophobicContact CG-CB 3.93Å
22A98.8Very high97.9Very high0 Ų033.4 Ų33.40%018%0.177CC..Hα-helixtrans-59.1-45173.100000112.4V10 R18 N24 I25 L26 A152 I155V10-A22 HydrophobicContact CB-CB 4.28Å; V10-A22 HydrophobicContact CG1-CB 3.8Å; V10-A22 HydrophobicContact CG2-CB 4.09Å; R18-A22 PolarHBondContact O-N 3.26Å; R18-A22 VanDerWaalsContact O-N 3.08Å; A22-N24 VanDerWaalsContact C-N 3.33Å; A22-N24 PolarHBondContact O-N 3.4Å; A22-I25 PolarHBondContact O-N 2.99Å; A22-L26 WeakPolarHBondContact O-CB 3.29Å; A22-L26 WeakPolarHBondContact O-CG 3.32Å; A22-L26 PolarHBondContact O-N 3.03Å; A22-A152 HydrophobicContact CB-CB 4.12Å; A22-I155 HydrophobicContact CB-CD1 4.09Å; A22-I155 HydrophobicContact CB-CG2 4.38Å
23H98.8Very high97.9Very high21 Ų2134 Ų3410%0.09718%0.181CC..Hα-helixtrans-54.7-49.1174.4-171.8134000111.4S19 E21 I25 L26 S27 S35 I91S19-H23 VanDerWaalsContact O-CB 3.28Å; S19-H23 WeakPolarHBondContact O-CB 3.28Å; S19-H23 PolarHBondContact O-N 2.92Å; E21-H23 PolarHBondContact O-N 2.95Å; H23-I25 VanDerWaalsContact C-N 3.34Å; H23-I25 PolarHBondContact O-N 3.4Å; H23-L26 PolarHBondContact O-N 3.16Å; H23-S27 WeakPolarHBondContact O-CB 3.46Å; H23-S27 PolarHBondContact O-N 3.23Å; H23-S35 WeakPolarHBondContact ND1-CB 3.45Å; H23-S35 PolarHBondContact ND1-OG 3.48Å; H23-I91 WeakPolarHBondContact CD2-CG2 3.31Å; H23-I91 VanDerWaalsContact NE2-CG2 3.33Å; H23-I91 WeakPolarHBondContact NE2-CG2 3.41Å
24N98.6Very high97.9Very high27 Ų2735.8 Ų35.814%0.14418%0.183CC..Hα-helixtrans-57.4-45.3-179.8-177.242.9000112.1M20 E21 A22 K28 I91M20-N24 WeakPolarHBondContact O-CB 3.21Å; M20-N24 PolarHBondContact O-N 3.17Å; E21-N24 WeakPolarHBondContact O-CB 3.48Å; E21-N24 PolarHBondContact O-N 3.37Å; E21-N24 PolarHBondContact OE1-ND2 3.26Å; A22-N24 VanDerWaalsContact C-N 3.33Å; A22-N24 PolarHBondContact O-N 3.4Å; N24-K28 PolarHBondContact ND2-NZ 2.98Å; N24-K28 WeakPolarHBondContact O-CD 2.99Å; N24-K28 VanDerWaalsContact O-CG 3.27Å; N24-K28 WeakPolarHBondContact O-CG 3.46Å; N24-K28 PolarHBondContact O-N 3.21Å; N24-K28 WeakPolarHBondContact OD1-CE 3.34Å; N24-K28 PolarHBondContact OD1-NZ 3.08Å; N24-I91 HydrophobicContact CB-CD1 3.73Å
25I98.3Very high97.9Very high17 Ų1735.1 Ų35.19%0.08718%0.179CC..Hα-helixtrans-69.1-50.9-179.9-62.6-169.9000110.8E21 A22 H23 S27 K28 R29 A152 F153 C156E21-I25 PolarHBondContact O-N 3.47Å; E21-I25 VanDerWaalsContact O-N 3.11Å; A22-I25 PolarHBondContact O-N 2.99Å; H23-I25 VanDerWaalsContact C-N 3.34Å; H23-I25 PolarHBondContact O-N 3.4Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 3.15Å; I25-K28 PolarHBondContact O-N 3.21Å; I25-R29 HydrophobicContact CG2-CG 4.49Å; I25-R29 VanDerWaalsContact O-CG 3.29Å; I25-R29 WeakPolarHBondContact O-CG 3.24Å; I25-R29 PolarHBondContact O-N 3.41Å; I25-R29 VanDerWaalsContact O-N 3.1Å; I25-A152 HydrophobicContact CD1-CB 3.52Å; I25-A152 HydrophobicContact CG1-CB 4.19Å; I25-F153 HydrophobicContact CD1-CD1 3.98Å; I25-F153 HydrophobicContact CD1-CD2 4.29Å; I25-F153 HydrophobicContact CD1-CE1 3.88Å; I25-F153 HydrophobicContact CD1-CE2 4.2Å; I25-F153 HydrophobicContact CD1-CG 4.19Å; I25-F153 HydrophobicContact CD1-CZ 3.99Å; I25-C156 HydrophobicContact CG2-CB 3.86Å
26L97.9Very high97.9Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-59.1-44.6-179.5-73.5172.6000111.8V8 V10 A22 H23 K28 R29 G30 F31 V33 I155 C156 C159V8-L26 HydrophobicContact CG1-CD1 4.13Å; V10-L26 HydrophobicContact CG2-CD1 3.65Å; A22-L26 WeakPolarHBondContact O-CB 3.29Å; A22-L26 WeakPolarHBondContact O-CG 3.32Å; A22-L26 PolarHBondContact O-N 3.03Å; H23-L26 PolarHBondContact O-N 3.16Å; L26-K28 PolarHBondContact O-N 3.27Å; L26-R29 CarbonylContact O-C 3.49Å; L26-R29 WeakPolarHBondContact O-CA 3.25Å; L26-R29 PolarHBondContact O-N 3.37Å; L26-G30 PolarHBondContact O-N 3.49Å; L26-F31 HydrophobicContact CB-CB 4.16Å; L26-F31 HydrophobicContact CB-CD2 4.3Å; L26-F31 HydrophobicContact CD2-CB 4.48Å; L26-F31 HydrophobicContact CD2-CD2 3.6Å; L26-F31 HydrophobicContact CD2-CE2 3.91Å; L26-F31 HydrophobicContact CD2-CG 3.99Å; L26-F31 PolarHBondContact O-N 3.24Å; L26-F31 VanDerWaalsContact O-N 3.15Å; L26-V33 HydrophobicContact CB-CB 4.02Å; L26-V33 HydrophobicContact CB-CG1 3.94Å; L26-V33 HydrophobicContact CB-CG2 4.07Å; L26-V33 HydrophobicContact CD1-CB 4.43Å; L26-V33 HydrophobicContact CD1-CG2 3.77Å; L26-I155 HydrophobicContact CD1-CG2 3.94Å; L26-I155 HydrophobicContact CG-CG2 4.47Å; L26-C156 HydrophobicContact CD2-CB 4.18Å; L26-C159 HydrophobicContact CD2-CB 3.94Å
27S97.5Very high97.9Very high65 Ų6534.9 Ų34.946%0.45518%0.178SC..Hα-helixtrans-61.1-43.4177.9178.80000111.8H23 I25 R29 G30H23-S27 WeakPolarHBondContact O-CB 3.46Å; H23-S27 PolarHBondContact O-N 3.23Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 3.15Å; S27-R29 PolarHBondContact O-N 3.21Å; S27-G30 PolarHBondContact O-N 3.42Å; S27-G30 VanDerWaalsContact O-N 3.08Å
28K96.8Very high97.9Very high155 Ų15534.5 Ų34.567%0.67418%0.176SC*.Hα-helixtrans-65.1-22175-74.7172.4-178.4167.70113.6N24 I25 L26N24-K28 PolarHBondContact ND2-NZ 2.98Å; N24-K28 WeakPolarHBondContact O-CD 2.99Å; N24-K28 VanDerWaalsContact O-CG 3.27Å; N24-K28 WeakPolarHBondContact O-CG 3.46Å; N24-K28 PolarHBondContact O-N 3.21Å; N24-K28 WeakPolarHBondContact OD1-CE 3.34Å; N24-K28 PolarHBondContact OD1-NZ 3.08Å; I25-K28 PolarHBondContact O-N 3.21Å; L26-K28 PolarHBondContact O-N 3.27Å
29R95.4Very high97.9Very high155 Ų15534.5 Ų34.559%0.58518%0.177SC*.THydrogen-bonded Turntrans-91.71.4176.6-65.1-70.6-169.1166.14.4113.1I25 L26 S27 F31I25-R29 HydrophobicContact CG2-CG 4.49Å; I25-R29 VanDerWaalsContact O-CG 3.29Å; I25-R29 WeakPolarHBondContact O-CG 3.24Å; I25-R29 PolarHBondContact O-N 3.41Å; I25-R29 VanDerWaalsContact O-N 3.1Å; L26-R29 CarbonylContact O-C 3.49Å; L26-R29 WeakPolarHBondContact O-CA 3.25Å; L26-R29 PolarHBondContact O-N 3.37Å; S27-R29 PolarHBondContact O-N 3.21Å; R29-F31 HydrophobicContact CB-CD2 3.94Å; R29-F31 HydrophobicContact CB-CE2 4.07Å
30G94.8Very high97.8Very high64 Ų6438.5 Ų38.566%0.6621%0.205SC*.THydrogen-bonded Turntrans87.811.1173.300000115.1L26 S27L26-G30 PolarHBondContact O-N 3.49Å; S27-G30 PolarHBondContact O-N 3.42Å; S27-G30 VanDerWaalsContact O-N 3.08Å
31F95.8Very high97.8Very high15 Ų1542.3 Ų42.37%0.06622%0.223CC..  trans-71.8145.8173.5-72.4-87.6000111.5L6 V8 L26 R29 V33 C159 Q160 Q163L6-F31 HydrophobicContact CD2-CE1 4.4Å; V8-F31 HydrophobicContact CG2-CD1 4.32Å; L26-F31 HydrophobicContact CB-CB 4.16Å; L26-F31 HydrophobicContact CB-CD2 4.3Å; L26-F31 HydrophobicContact CD2-CB 4.48Å; L26-F31 HydrophobicContact CD2-CD2 3.6Å; L26-F31 HydrophobicContact CD2-CE2 3.91Å; L26-F31 HydrophobicContact CD2-CG 3.99Å; L26-F31 PolarHBondContact O-N 3.24Å; L26-F31 VanDerWaalsContact O-N 3.15Å; R29-F31 HydrophobicContact CB-CD2 3.94Å; R29-F31 HydrophobicContact CB-CE2 4.07Å; F31-V33 PolarHBondContact O-N 3.36Å; F31-C159 HydrophobicContact CD1-CB 4.28Å; F31-C159 HydrophobicContact CE1-CB 3.61Å; F31-C159 HydrophobicContact CE2-CB 4.34Å; F31-C159 HydrophobicContact CZ-CB 3.66Å; F31-Q160 HydrophobicContact CE2-CG 3.96Å; F31-Q160 HydrophobicContact CZ-CB 4.49Å; F31-Q160 HydrophobicContact CZ-CG 3.74Å; F31-Q163 HydrophobicContact CE1-CB 4.33Å
32E96.9Very high97.8Very high91 Ų9141 Ų4143%0.42522%0.217SC..EExtended strand (participates in β ladder)trans-76.990.4165.7-171.5-178.6150.200108.6R7 V8R7-E32 WeakPolarHBondContact CA-O 3.29Å; R7-E32 HydrophobicContact CG-CB 4.41Å; R7-E32 HydrophobicContact CG-CG 4.4Å; R7-E32 IonicContact CZ-OE1 3.13Å; R7-E32 IonicContact NE-OE1 3.44Å; R7-E32 PolarHBondContact NE-OE1 3.19Å; R7-E32 IonicContact NE-OE2 3.76Å; R7-E32 IonicContact NH2-OE1 3.67Å; R7-E32 PolarHBondContact NH2-OE1 3.43Å; V8-E32 PolarHBondContact N-O 2.93Å
33V98.4Very high97.7Very high16 Ų1646.8 Ų46.810%0.09724%0.242CC..EExtended strand (participates in β ladder)trans-113.3137-172.963.40000113.1V8 V10 L26 F31V8-V33 CarbonylContact O-C 3.52Å; V8-V33 VanDerWaalsContact O-CA 3.29Å; V8-V33 WeakPolarHBondContact O-CA 3.17Å; V10-V33 HydrophobicContact CG2-CG2 4.31Å; L26-V33 HydrophobicContact CB-CB 4.02Å; L26-V33 HydrophobicContact CB-CG1 3.94Å; L26-V33 HydrophobicContact CB-CG2 4.07Å; L26-V33 HydrophobicContact CD1-CB 4.43Å; L26-V33 HydrophobicContact CD1-CG2 3.77Å; F31-V33 PolarHBondContact O-N 3.36Å
34R98.8Very high97.7Very high63 Ų6346 Ų4624%0.23824%0.238CC..EExtended strand (participates in β ladder)trans-120.6163.8162.4-62.8-162.864.6-166.1-5.2110.4V8 A9 V10 F36 E96 C101 D103 F105V8-R34 PolarHBondContact O-N 3.06Å; A9-R34 CarbonylContact C-O 3.47Å; A9-R34 WeakPolarHBondContact CA-O 3.37Å; V10-R34 PolarHBondContact N-O 3.04Å; R34-F36 HydrophobicContact CB-CE2 3.64Å; R34-F36 HydrophobicContact CB-CZ 3.75Å; R34-E96 IonicContact CZ-OE1 2.59Å; R34-E96 IonicContact NH2-OE1 3.22Å; R34-E96 PolarHBondContact NH2-OE1 2.93Å; R34-E96 IonicContact NH2-OE2 3.8Å; R34-E96 PolarHBondContact NH2-OE2 3.04Å; R34-C101 PolarHBondContact NH1-SG 2.9Å; R34-D103 WeakPolarHBondContact CD-OD2 3.49Å; R34-D103 IonicContact CZ-OD2 3.5Å; R34-D103 IonicContact NE-OD2 2.8Å; R34-D103 IonicContact NH1-OD1 2.8Å; R34-D103 PolarHBondContact NH1-OD1 3.12Å; R34-D103 IonicContact NH1-OD2 3.26Å; R34-D103 PolarHBondContact NH1-OD2 3.37Å; R34-F105 HydrophobicContact CB-CE1 3.86Å; R34-F105 HydrophobicContact CB-CZ 4.08Å; R34-F105 HydrophobicContact CG-CE1 4.01Å; R34-F105 HydrophobicContact CG-CZ 4.41Å
35S98.8Very high97.6Very high0 Ų048.7 Ų48.70%026%0.257CS..EExtended strand (participates in β ladder)trans-141147.417960.40000113.3V10 N15 M20 H23 K92V10-S35 CarbonylContact O-C 3.55Å; V10-S35 WeakPolarHBondContact O-CA 3.45Å; V10-S35 WeakPolarHBondContact O-CB 3.26Å; N15-S35 VanDerWaalsContact OD1-C 3.29Å; N15-S35 WeakPolarHBondContact OD1-CB 3.5Å; N15-S35 PolarHBondContact OD1-OG 3.05Å; M20-S35 PolarHBondContact SD-OG 2.94Å; H23-S35 WeakPolarHBondContact ND1-CB 3.45Å; H23-S35 PolarHBondContact ND1-OG 3.48Å; S35-K92 PolarHBondContact O-NZ 2.85Å; S35-K92 PolarHBondContact OG-NZ 2.86Å
36F98.9Very high97.6Very high1 Ų148.6 Ų48.60%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-143.8168.7-171.8-54.9-83000114A9 V10 V11 C12 N15 R34 E96 F98 C101 F105A9-F36 HydrophobicContact CB-CD2 4.14Å; A9-F36 HydrophobicContact CB-CE2 3.95Å; V10-F36 PolarHBondContact O-N 3.45Å; V11-F36 WeakPolarHBondContact CA-O 3.38Å; V11-F36 HydrophobicContact CG1-CB 4.19Å; V11-F36 HydrophobicContact CG2-CB 4.33Å; V11-F36 HydrophobicContact CG2-CD2 4.44Å; C12-F36 PolarHBondContact N-O 3.42Å; N15-F36 WeakPolarHBondContact OD1-CA 3.46Å; N15-F36 PolarHBondContact OD1-N 3.01Å; N15-F36 VanDerWaalsContact OD1-N 3.12Å; N15-F36 PolarHBondContact OD1-O 2.88Å; R34-F36 HydrophobicContact CB-CE2 3.64Å; R34-F36 HydrophobicContact CB-CZ 3.75Å; F36-E96 CarbonylContact C-O 3.54Å; F36-E96 VanDerWaalsContact CA-O 3.31Å; F36-E96 WeakPolarHBondContact CA-O 3.32Å; F36-E96 HydrophobicContact CD1-CB 3.71Å; F36-E96 HydrophobicContact CE1-CB 4.03Å; F36-F98 HydrophobicContact CB-CB 3.76Å; F36-F98 HydrophobicContact CB-CD2 4.02Å; F36-F98 HydrophobicContact CB-CG 4.41Å; F36-F98 AromaticContact CD2-CD2 3.83Å; F36-F98 HydrophobicContact CD2-CD2 3.83Å; F36-F98 HydrophobicContact CD2-CE2 4.47Å; F36-F98 HydrophobicContact CG-CB 4.3Å; F36-F98 AromaticContact CG-CD2 3.96Å; F36-F98 HydrophobicContact CG-CD2 3.96Å; F36-C101 HydrophobicContact CD1-CB 4.28Å; F36-C101 HydrophobicContact CE1-CB 3.7Å; F36-C101 HydrophobicContact CZ-CB 4.12Å; F36-F105 HydrophobicContact CE2-CE1 4.41Å; F36-F105 AromaticContact CE2-CE2 3.89Å; F36-F105 HydrophobicContact CE2-CE2 3.89Å; F36-F105 AromaticContact CE2-CZ 3.55Å; F36-F105 HydrophobicContact CE2-CZ 3.55Å; F36-F105 HydrophobicContact CZ-CE2 4.27Å; F36-F105 AromaticContact CZ-CZ 3.76Å; F36-F105 HydrophobicContact CZ-CZ 3.76Å
37G98.8Very high97.5Very high0 Ų052.8 Ų52.80%029%0.288CS..EExtended strand (participates in β ladder)trans-119.2140.4172.100000110.3C12 S13 E96 R97 F98C12-G37 CarbonylContact O-C 3.53Å; C12-G37 WeakPolarHBondContact O-CA 3.37Å; S13-G37 CarbonylContact O-C 3.55Å; S13-G37 WeakPolarHBondContact O-CA 3.25Å; G37-E96 PolarHBondContact N-O 3.4Å; G37-R97 CarbonylContact O-C 3.6Å; G37-R97 VanDerWaalsContact O-CA 3.26Å; G37-R97 WeakPolarHBondContact O-CA 3.4Å; G37-F98 PolarHBondContact O-N 3.12Å
38T98.8Very high97.4Very high2 Ų251.2 Ų51.21%0.01228%0.279CS..  trans-96-15.5171.8520000113.7V11 C12 S13 F98 Q99 V115 Q118 V119V11-T38 HydrophobicContact CG1-CG2 3.67Å; C12-T38 PolarHBondContact O-N 3.45Å; S13-T38 PolarHBondContact O-N 3.05Å; T38-F98 HydrophobicContact CG2-CB 4.35Å; T38-Q99 PolarHBondContact O-NE2 2.79Å; T38-V115 HydrophobicContact CG2-CG1 3.85Å; T38-Q118 HydrophobicContact CG2-CB 3.95Å; T38-Q118 PolarHBondContact OG1-OE1 2.92Å; T38-V119 HydrophobicContact CG2-CG2 3.86Å
39G97.8Very high97.2Very high5 Ų550.3 Ų50.35%0.05229%0.289CS..SBendtrans-56.8157.4-178.200000112.7S13 H41 F57 R97S13-G39 WeakPolarHBondContact O-CA 3.44Å; S13-G39 PolarHBondContact O-N 3.18Å; G39-H41 VanDerWaalsContact C-N 3.29Å; G39-F57 WeakPolarHBondContact O-CE2 3.42Å; G39-R97 PolarHBondContact O-NE 3Å; G39-R97 VanDerWaalsContact O-NE 3.08Å
40S97.2Very high97.2Very high83 Ų8348.7 Ų48.758%0.5829%0.292SS*.SBendtrans-70.3-30.8172.458.20000112.1
41H98.1Very high97.3Very high81 Ų8151.7 Ų51.738%0.37529%0.287SS..SBendtrans-140.6159179.2-62.377.9000109.5G39 V54G39-H41 VanDerWaalsContact C-N 3.29Å; H41-V54 HydrophobicContact CB-CG1 3.61Å
42V98.4Very high97.4Very high0 Ų053.7 Ų53.70%030%0.301CS..EExtended strand (participates in β ladder)trans-82123.4172.4176.40000108.3Q16 V54 Y55 F57 M64 P95Q16-V42 HydrophobicContact CG-CG1 3.78Å; V42-V54 WeakPolarHBondContact O-CA 3.44Å; V42-Y55 PolarHBondContact N-O 3.15Å; V42-Y55 PolarHBondContact O-N 3.25Å; V42-F57 HydrophobicContact CG2-CD1 3.81Å; V42-F57 HydrophobicContact CG2-CD2 3.97Å; V42-F57 HydrophobicContact CG2-CE1 3.82Å; V42-F57 HydrophobicContact CG2-CE2 3.96Å; V42-F57 HydrophobicContact CG2-CG 3.89Å; V42-F57 HydrophobicContact CG2-CZ 3.91Å; V42-M64 HydrophobicContact CB-CE 4.19Å; V42-M64 HydrophobicContact CG1-CE 3.83Å; V42-M64 HydrophobicContact CG1-SD 4.15Å; V42-M64 HydrophobicContact CG2-CE 4.38Å; V42-P95 HydrophobicContact CG1-CG 4.49Å; V42-P95 HydrophobicContact CG2-CB 3.97Å; V42-P95 HydrophobicContact CG2-CG 3.57Å
43K98.1Very high97.5Very high121 Ų12149.9 Ų49.953%0.52628%0.284SS..EExtended strand (participates in β ladder)trans-116.3133.2179.5-59.7-174.2-178.5-178.70110.4S14 N53 V54S14-K43 PolarHBondContact OG-N 3.32Å; K43-N53 WeakPolarHBondContact CA-O 3.36Å; K43-V54 HydrophobicContact CG-CG2 4.37Å
44L97.9Very high97.5Very high5 Ų552.6 Ų52.63%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-122.3147.5171-71.1170.5000109.3Q16 P52 N53 Y55 M64 L68 I81 L85Q16-L44 HydrophobicContact CB-CD2 4.11Å; Q16-L44 HydrophobicContact CG-CD2 3.77Å; Q16-L44 HydrophobicContact CG-CG 4.37Å; L44-P52 WeakPolarHBondContact O-CA 3.39Å; L44-N53 HydrophobicContact CB-CB 4.24Å; L44-N53 PolarHBondContact N-O 3.43Å; L44-N53 PolarHBondContact O-N 2.58Å; L44-Y55 HydrophobicContact CD1-CE2 4.07Å; L44-M64 HydrophobicContact CD1-SD 4.47Å; L44-L68 HydrophobicContact CD1-CD1 4.06Å; L44-I81 HydrophobicContact CD1-CG2 4.15Å; L44-I81 HydrophobicContact CD2-CG2 4.26Å; L44-L85 HydrophobicContact CD1-CD1 4.12Å; L44-L85 HydrophobicContact CD1-CD2 4.2Å; L44-L85 HydrophobicContact CD1-CG 4.49Å
45P97.4Very high97.5Very high83 Ų8350.9 Ų50.954%0.53929%0.294SS..  trans-54.2144.9172.4-22.630.4000111.6N53 I81P45-N53 PolarHBondContact O-ND2 3.23Å; P45-I81 HydrophobicContact CB-CD1 3.86Å; P45-I81 HydrophobicContact CG-CD1 3.91Å
46G97.1Very high97.5Very high15 Ų1554.4 Ų54.416%0.15531%0.313CS..  trans-119.8-160.917300000111.5A48 K51G46-A48 PolarHBondContact O-N 3.29Å; G46-K51 WeakPolarHBondContact CA-O 3.18Å
47P95.9Very high97.4Very high89 Ų8955.4 Ų55.458%0.57832%0.317SS*.SBendtrans-69.5-16.9-17628.2-35.3000113.9K51 L75P47-K51 HydrophobicContact CG-CB 4.46Å; P47-L75 HydrophobicContact CB-CD2 3.99Å
48A95.1Very high97.4Very high32 Ų3263.4 Ų63.426%0.26435%0.352SS..SBendtrans-146.6156.5176.400000110.4G46 D50 K51G46-A48 PolarHBondContact O-N 3.29Å; A48-D50 WeakPolarHBondContact CB-OD1 3.34Å; A48-D50 PolarHBondContact O-N 2.97Å; A48-K51 HydrophobicContact CB-CB 4.42Å; A48-K51 HydrophobicContact CB-CD 4.44Å; A48-K51 HydrophobicContact CB-CG 4.47Å; A48-K51 CarbonylContact O-C 3.59Å; A48-K51 PolarHBondContact O-N 2.73Å
49P92.5Very high97.4Very high136 Ų13664.8 Ų64.888%0.88336%0.36SS*.THydrogen-bonded Turntrans-57.8-32.1-178.3-26.435.5000114.5K51P49-K51 VanDerWaalsContact C-N 3.32Å
50D96Very high97.4Very high120 Ų12066 Ų6664%0.64237%0.367SS*.THydrogen-bonded Turntrans-83.8-4.4178.166-45.5000113.5A48 P52A48-D50 WeakPolarHBondContact CB-OD1 3.34Å; A48-D50 PolarHBondContact O-N 2.97Å; D50-P52 WeakPolarHBondContact O-CD 3.33Å
51K96.8Very high97.5Very high128 Ų12862.1 Ų62.156%0.55734%0.339SS*.  trans-122.559.4-176.4-63.2-178.7-175.8176.40112.3G46 P47 A48 P49G46-K51 WeakPolarHBondContact CA-O 3.18Å; P47-K51 HydrophobicContact CG-CB 4.46Å; A48-K51 HydrophobicContact CB-CB 4.42Å; A48-K51 HydrophobicContact CB-CD 4.44Å; A48-K51 HydrophobicContact CB-CG 4.47Å; A48-K51 CarbonylContact O-C 3.59Å; A48-K51 PolarHBondContact O-N 2.73Å; P49-K51 VanDerWaalsContact C-N 3.32Å
52P97.8Very high97.6Very high57 Ų5763.7 Ų63.737%0.3735%0.347SS..  trans-68.5153.5176.331.4-35.8000111.4L44 D50 V54L44-P52 WeakPolarHBondContact O-CA 3.39Å; D50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-V54 HydrophobicContact CB-CG2 4.35Å; P52-V54 HydrophobicContact CG-CG2 4.03Å
53N98.5Very high97.6Very high11 Ų1168.9 Ų68.96%0.05937%0.371CS..EExtended strand (participates in β ladder)trans-82.9120.4165.5-65.3-75.9000108.7K43 L44 P45 Y55 L68 K71 Y76K43-N53 WeakPolarHBondContact CA-O 3.36Å; L44-N53 HydrophobicContact CB-CB 4.24Å; L44-N53 PolarHBondContact N-O 3.43Å; L44-N53 PolarHBondContact O-N 2.58Å; P45-N53 PolarHBondContact O-ND2 3.23Å; N53-Y55 HydrophobicContact CB-CE2 3.62Å; N53-L68 HydrophobicContact CB-CD2 4.2Å; N53-K71 PolarHBondContact OD1-NZ 3.46Å; N53-Y76 WeakPolarHBondContact ND2-CE1 3.25Å; N53-Y76 PolarHBondContact ND2-OH 3.23Å
54V98.6Very high97.6Very high73 Ų7363.1 Ų63.144%0.44235%0.346SS..EExtended strand (participates in β ladder)trans-117.1131-175.2-174.40000109.7H41 V42 K43 P52H41-V54 HydrophobicContact CB-CG1 3.61Å; V42-V54 WeakPolarHBondContact O-CA 3.44Å; K43-V54 HydrophobicContact CG-CG2 4.37Å; P52-V54 HydrophobicContact CB-CG2 4.35Å; P52-V54 HydrophobicContact CG-CG2 4.03Å
55Y98.7Very high97.7Very high26 Ų2665.7 Ų65.710%0.10236%0.356CS..EExtended strand (participates in β ladder)trans-133.7152.7-178.5-53.2-85.9000111.2V42 L44 N53 T59 M64 D67 L68V42-Y55 PolarHBondContact N-O 3.15Å; V42-Y55 PolarHBondContact O-N 3.25Å; L44-Y55 HydrophobicContact CD1-CE2 4.07Å; N53-Y55 HydrophobicContact CB-CE2 3.62Å; Y55-T59 HydrophobicContact CD1-CG2 4.18Å; Y55-M64 HydrophobicContact CD1-CG 4.12Å; Y55-M64 HydrophobicContact CD2-CE 4.26Å; Y55-M64 HydrophobicContact CD2-CG 4.03Å; Y55-M64 HydrophobicContact CD2-SD 4.08Å; Y55-M64 HydrophobicContact CE1-CG 4.27Å; Y55-M64 HydrophobicContact CE2-CG 4.18Å; Y55-M64 HydrophobicContact CG-CE 4.05Å; Y55-M64 HydrophobicContact CG-CG 4Å; Y55-M64 HydrophobicContact CG-SD 4.33Å; Y55-D67 HydrophobicContact CE1-CB 4.49Å; Y55-D67 WeakPolarHBondContact CE1-OD2 3.28Å; Y55-D67 PolarHBondContact OH-OD2 2.64Å; Y55-L68 VanDerWaalsContact OH-CD2 3.26Å; Y55-L68 WeakPolarHBondContact OH-CD2 3.41Å
56D98.5Very high97.7Very high75 Ų7565 Ų6540%0.40135%0.347SS..  trans-74.3147.8167.3-173.7-78.7000110.1K58 T59D56-K58 PolarHBondContact O-N 3.08Å; D56-K58 VanDerWaalsContact O-N 3.11Å; D56-K58 WeakPolarHBondContact OD1-CB 3.26Å; D56-K58 WeakPolarHBondContact OD1-CD 3.27Å; D56-K58 WeakPolarHBondContact OD1-CG 3.49Å; D56-K58 PolarHBondContact OD1-N 3.28Å; D56-T59 WeakPolarHBondContact O-CB 3.38Å; D56-T59 PolarHBondContact O-N 3.43Å; D56-T59 PolarHBondContact O-OG1 2.94Å
57F98.3Very high97.8Very high21 Ų2166.5 Ų66.59%0.09235%0.352CS..THydrogen-bonded Turntrans-60.2-17.8177.5-82.8-93.8000113.9G39 V42 T59 P95 R97G39-F57 WeakPolarHBondContact O-CE2 3.42Å; V42-F57 HydrophobicContact CG2-CD1 3.81Å; V42-F57 HydrophobicContact CG2-CD2 3.97Å; V42-F57 HydrophobicContact CG2-CE1 3.82Å; V42-F57 HydrophobicContact CG2-CE2 3.96Å; V42-F57 HydrophobicContact CG2-CG 3.89Å; V42-F57 HydrophobicContact CG2-CZ 3.91Å; F57-T59 PolarHBondContact O-N 3.3Å; F57-P95 HydrophobicContact CD1-CB 3.99Å; F57-P95 HydrophobicContact CD1-CG 4.33Å; F57-P95 HydrophobicContact CE1-CB 4.23Å; F57-P95 VanDerWaalsContact O-O 3.12Å; F57-R97 HydrophobicContact CD1-CB 3.9Å; F57-R97 HydrophobicContact CD2-CB 4.2Å; F57-R97 HydrophobicContact CE1-CB 4.04Å; F57-R97 HydrophobicContact CE2-CB 4.35Å; F57-R97 HydrophobicContact CE2-CG 4.42Å; F57-R97 HydrophobicContact CG-CB 3.98Å; F57-R97 HydrophobicContact CZ-CB 4.27Å; F57-R97 HydrophobicContact CZ-CG 4.45Å
58K98Very high97.9Very high169 Ų16962.2 Ų62.274%0.73532%0.324SS*.THydrogen-bonded Turntrans-68.4-19.2171.7-66.5167.2-174.1174.40113D56D56-K58 PolarHBondContact O-N 3.08Å; D56-K58 VanDerWaalsContact O-N 3.11Å; D56-K58 WeakPolarHBondContact OD1-CB 3.26Å; D56-K58 WeakPolarHBondContact OD1-CD 3.27Å; D56-K58 WeakPolarHBondContact OD1-CG 3.49Å; D56-K58 PolarHBondContact OD1-N 3.28Å
59T98.6Very high98.1Very high30 Ų3062.9 Ų62.918%0.18433%0.325CS..SBendtrans-73.4128.2-177.4-45.50000110.2Y55 D56 F57 Q63 M64 P95Y55-T59 HydrophobicContact CD1-CG2 4.18Å; D56-T59 WeakPolarHBondContact O-CB 3.38Å; D56-T59 PolarHBondContact O-N 3.43Å; D56-T59 PolarHBondContact O-OG1 2.94Å; F57-T59 PolarHBondContact O-N 3.3Å; T59-Q63 HydrophobicContact CG2-CB 3.8Å; T59-M64 HydrophobicContact CG2-CE 4.07Å; T59-M64 HydrophobicContact CG2-CG 3.87Å; T59-M64 WeakPolarHBondContact O-CE 3.42Å; T59-P95 VanDerWaalsContact O-CD 3.31Å; T59-P95 WeakPolarHBondContact O-CD 3.47Å
60T98.9Very high98.4Very high32 Ų3266.6 Ų66.620%0.19632%0.321CS..  trans-72.7154.417761.30000112E62 Q63 M64 S93 R94T60-E62 PolarHBondContact O-N 2.91Å; T60-Q63 PolarHBondContact O-N 2.59Å; T60-Q63 VanDerWaalsContact O-N 3.15Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.37Å; T60-Q63 VanDerWaalsContact OG1-CD 3.25Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.46Å; T60-Q63 PolarHBondContact OG1-N 3.45Å; T60-Q63 VanDerWaalsContact OG1-N 3.12Å; T60-Q63 PolarHBondContact OG1-OE1 3.22Å; T60-M64 WeakPolarHBondContact O-CG 3.2Å; T60-M64 PolarHBondContact O-N 2.97Å; T60-S93 VanDerWaalsContact CA-O 3.29Å; T60-S93 WeakPolarHBondContact CA-O 3.46Å; T60-S93 VanDerWaalsContact CB-O 3.24Å; T60-S93 WeakPolarHBondContact CB-O 3.42Å; T60-R94 HydrophobicContact CG2-CB 4.42Å
61Y98.9Very high98.5Very high0 Ų066.2 Ų66.20%031%0.314CS..Hα-helixtrans-62-30.6174.5-65-67.5000112N15 M20 M64 Y65 L85 N88 K92 S93 P95N15-Y61 PolarHBondContact ND2-OH 3.46Å; N15-Y61 PolarHBondContact O-OH 2.89Å; M20-Y61 HydrophobicContact CE-CE2 4.31Å; Y61-M64 HydrophobicContact CD1-SD 4.42Å; Y61-M64 PolarHBondContact O-N 3.33Å; Y61-Y65 WeakPolarHBondContact O-CB 3.44Å; Y61-Y65 PolarHBondContact O-N 3.49Å; Y61-L85 HydrophobicContact CD1-CD2 3.81Å; Y61-N88 HydrophobicContact CD1-CB 3.63Å; Y61-N88 HydrophobicContact CD2-CB 3.81Å; Y61-N88 HydrophobicContact CE1-CB 3.71Å; Y61-N88 HydrophobicContact CE2-CB 3.89Å; Y61-N88 HydrophobicContact CG-CB 3.67Å; Y61-K92 VanDerWaalsContact CD2-O 3.26Å; Y61-K92 WeakPolarHBondContact CD2-O 3.29Å; Y61-K92 HydrophobicContact CE2-CG 3.96Å; Y61-S93 PolarHBondContact N-O 2.88Å; Y61-P95 HydrophobicContact CE1-CB 4.12Å; Y61-P95 HydrophobicContact CE1-CG 4.19Å; Y61-P95 VanDerWaalsContact OH-CA 3.3Å; Y61-P95 WeakPolarHBondContact OH-CA 3.48Å
62E98.8Very high98.5Very high115 Ų11563.5 Ų63.554%0.53731%0.305SS..Hα-helixtrans-66.1-42.8173.8-179.6171.8-154.900112.3T60 Y65 N66T60-E62 PolarHBondContact O-N 2.91Å; E62-Y65 PolarHBondContact O-N 3.1Å; E62-N66 WeakPolarHBondContact O-CB 3.26Å; E62-N66 PolarHBondContact O-N 3.41Å; E62-N66 PolarHBondContact O-ND2 2.64Å
63Q98.8Very high98.6Very high108 Ų10866.9 Ų66.951%0.50531%0.314SS..Hα-helixtrans-62-44174.1-76.4164.1-37.800111.5T59 T60 N66 D67T59-Q63 HydrophobicContact CG2-CB 3.8Å; T60-Q63 PolarHBondContact O-N 2.59Å; T60-Q63 VanDerWaalsContact O-N 3.15Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.37Å; T60-Q63 VanDerWaalsContact OG1-CD 3.25Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.46Å; T60-Q63 PolarHBondContact OG1-N 3.45Å; T60-Q63 VanDerWaalsContact OG1-N 3.12Å; T60-Q63 PolarHBondContact OG1-OE1 3.22Å; Q63-N66 PolarHBondContact O-N 2.93Å; Q63-D67 WeakPolarHBondContact O-CB 3.5Å; Q63-D67 PolarHBondContact O-N 3.36Å
64M98.8Very high98.6Very high0 Ų073.2 Ų73.20%034%0.344CS..Hα-helixtrans-60.7-45.4175.1-63.2178.5-169.600111.3Q16 V42 L44 Y55 T59 T60 Y61 N66 D67 L68 L85 P95Q16-M64 PolarHBondContact NE2-SD 3.04Å; V42-M64 HydrophobicContact CB-CE 4.19Å; V42-M64 HydrophobicContact CG1-CE 3.83Å; V42-M64 HydrophobicContact CG1-SD 4.15Å; V42-M64 HydrophobicContact CG2-CE 4.38Å; L44-M64 HydrophobicContact CD1-SD 4.47Å; Y55-M64 HydrophobicContact CD1-CG 4.12Å; Y55-M64 HydrophobicContact CD2-CE 4.26Å; Y55-M64 HydrophobicContact CD2-CG 4.03Å; Y55-M64 HydrophobicContact CD2-SD 4.08Å; Y55-M64 HydrophobicContact CE1-CG 4.27Å; Y55-M64 HydrophobicContact CE2-CG 4.18Å; Y55-M64 HydrophobicContact CG-CE 4.05Å; Y55-M64 HydrophobicContact CG-CG 4Å; Y55-M64 HydrophobicContact CG-SD 4.33Å; T59-M64 HydrophobicContact CG2-CE 4.07Å; T59-M64 HydrophobicContact CG2-CG 3.87Å; T59-M64 WeakPolarHBondContact O-CE 3.42Å; T60-M64 WeakPolarHBondContact O-CG 3.2Å; T60-M64 PolarHBondContact O-N 2.97Å; Y61-M64 HydrophobicContact CD1-SD 4.42Å; Y61-M64 PolarHBondContact O-N 3.33Å; M64-N66 PolarHBondContact O-N 2.8Å; M64-D67 PolarHBondContact O-N 3Å; M64-L68 WeakPolarHBondContact O-CG 3.31Å; M64-L68 PolarHBondContact O-N 3.07Å; M64-L85 HydrophobicContact CB-CD1 4.03Å; M64-L85 HydrophobicContact CB-CD2 4.08Å; M64-L85 HydrophobicContact SD-CD2 4.27Å; M64-P95 HydrophobicContact CE-CG 3.83Å
65Y98.8Very high98.6Very high60 Ų6072 Ų7224%0.23533%0.334CS..Hα-helixtrans-57.6-50.6178.1-178.2-81.8000111.1Y61 E62 D67 L68 V69 L82 L85 D86Y61-Y65 WeakPolarHBondContact O-CB 3.44Å; Y61-Y65 PolarHBondContact O-N 3.49Å; E62-Y65 PolarHBondContact O-N 3.1Å; Y65-D67 VanDerWaalsContact C-N 3.34Å; Y65-D67 PolarHBondContact O-N 2.99Å; Y65-L68 PolarHBondContact O-N 3.37Å; Y65-V69 HydrophobicContact CD1-CG2 3.94Å; Y65-V69 HydrophobicContact CE1-CG2 3.59Å; Y65-V69 WeakPolarHBondContact O-CG2 3.49Å; Y65-V69 PolarHBondContact O-N 3.15Å; Y65-L82 HydrophobicContact CD2-CB 4.3Å; Y65-L82 HydrophobicContact CD2-CD2 3.91Å; Y65-L82 WeakPolarHBondContact CD2-O 3.05Å; Y65-L82 HydrophobicContact CE2-CB 3.81Å; Y65-L82 HydrophobicContact CE2-CD2 4.03Å; Y65-L82 HydrophobicContact CE2-CG 4.4Å; Y65-L82 VanDerWaalsContact CE2-O 3.32Å; Y65-L82 WeakPolarHBondContact CE2-O 3.31Å; Y65-L82 HydrophobicContact CG-CD2 4.3Å; Y65-L85 HydrophobicContact CD2-CB 4.06Å; Y65-D86 HydrophobicContact CE2-CB 4.34Å
66N98.8Very high98.5Very high67 Ų6771 Ų7136%0.35833%0.331SS..Hα-helixtrans-65.7-36.1-178.9-71.9-33.2000112.5E62 Q63 M64 R70E62-N66 WeakPolarHBondContact O-CB 3.26Å; E62-N66 PolarHBondContact O-N 3.41Å; E62-N66 PolarHBondContact O-ND2 2.64Å; Q63-N66 PolarHBondContact O-N 2.93Å; M64-N66 PolarHBondContact O-N 2.8Å; N66-R70 VanDerWaalsContact O-CG 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.3Å; N66-R70 PolarHBondContact O-N 2.8Å; N66-R70 VanDerWaalsContact O-N 3.14Å
67D98.8Very high98.5Very high47 Ų4771.3 Ų71.325%0.25134%0.335SS..Hα-helixtrans-62.9-48.8173.5176.957.9000111.5Y55 Q63 M64 Y65 V69 R70 K71Y55-D67 HydrophobicContact CE1-CB 4.49Å; Y55-D67 WeakPolarHBondContact CE1-OD2 3.28Å; Y55-D67 PolarHBondContact OH-OD2 2.64Å; Q63-D67 WeakPolarHBondContact O-CB 3.5Å; Q63-D67 PolarHBondContact O-N 3.36Å; M64-D67 PolarHBondContact O-N 3Å; Y65-D67 VanDerWaalsContact C-N 3.34Å; Y65-D67 PolarHBondContact O-N 2.99Å; D67-V69 PolarHBondContact O-N 3.18Å; D67-R70 PolarHBondContact O-N 2.89Å; D67-R70 VanDerWaalsContact O-N 3.16Å; D67-K71 WeakPolarHBondContact O-CG 3.46Å; D67-K71 PolarHBondContact O-N 2.91Å; D67-K71 WeakPolarHBondContact OD1-CE 3.42Å; D67-K71 IonicContact OD1-NZ 2.87Å; D67-K71 VanDerWaalsContact OD2-CE 3.25Å; D67-K71 WeakPolarHBondContact OD2-CE 3.38Å; D67-K71 IonicContact OD2-NZ 3.45Å; D67-K71 PolarHBondContact OD2-NZ 3.16Å
68L98.6Very high98.5Very high0 Ų078 Ų780%037%0.367CS..Hα-helixtrans-66.2-38.6179.9-67-168.4000112.6L44 N53 Y55 M64 Y65 R70 K71 D72 Y76 I81 L82 L85L44-L68 HydrophobicContact CD1-CD1 4.06Å; N53-L68 HydrophobicContact CB-CD2 4.2Å; Y55-L68 VanDerWaalsContact OH-CD2 3.26Å; Y55-L68 WeakPolarHBondContact OH-CD2 3.41Å; M64-L68 WeakPolarHBondContact O-CG 3.31Å; M64-L68 PolarHBondContact O-N 3.07Å; Y65-L68 PolarHBondContact O-N 3.37Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 3.03Å; L68-K71 HydrophobicContact CD2-CD 4.24Å; L68-K71 PolarHBondContact O-N 3.4Å; L68-D72 CarbonylContact O-C 3.54Å; L68-D72 PolarHBondContact O-N 3.22Å; L68-Y76 HydrophobicContact CB-CD2 3.67Å; L68-Y76 HydrophobicContact CB-CE2 4.15Å; L68-Y76 HydrophobicContact CB-CG 3.95Å; L68-Y76 HydrophobicContact CD1-CD1 3.96Å; L68-Y76 HydrophobicContact CD1-CD2 4.5Å; L68-Y76 HydrophobicContact CD1-CE1 4.29Å; L68-Y76 HydrophobicContact CD1-CG 4.1Å; L68-Y76 HydrophobicContact CD2-CD1 4.34Å; L68-Y76 HydrophobicContact CD2-CD2 4.11Å; L68-Y76 HydrophobicContact CD2-CE1 3.98Å; L68-Y76 HydrophobicContact CD2-CE2 3.76Å; L68-Y76 HydrophobicContact CD2-CG 4.42Å; L68-Y76 HydrophobicContact CG-CD2 4.29Å; L68-Y76 HydrophobicContact CG-CE2 4.44Å; L68-Y76 HydrophobicContact CG-CG 4.39Å; L68-Y76 VanDerWaalsContact O-CD2 3.28Å; L68-Y76 WeakPolarHBondContact O-CD2 3.42Å; L68-I81 HydrophobicContact CD1-CG2 3.44Å; L68-I81 VanDerWaalsContact CD1-CG2 3.44Å; L68-L82 HydrophobicContact CB-CD2 3.82Å; L68-L85 HydrophobicContact CD1-CD1 3.8Å
69V98.5Very high98.4Very high45 Ų4572.5 Ų72.527%0.27335%0.345SS..Hα-helixtrans-58.9-40.8172.3168.80000111.6Y65 D67 K73 L82Y65-V69 HydrophobicContact CD1-CG2 3.94Å; Y65-V69 HydrophobicContact CE1-CG2 3.59Å; Y65-V69 WeakPolarHBondContact O-CG2 3.49Å; Y65-V69 PolarHBondContact O-N 3.15Å; D67-V69 PolarHBondContact O-N 3.18Å; V69-K73 HydrophobicContact CG1-CB 4.45Å; V69-K73 HydrophobicContact CG1-CD 4.38Å; V69-K73 HydrophobicContact CG1-CG 4.46Å; V69-K73 PolarHBondContact O-N 3.41Å; V69-L82 HydrophobicContact CG2-CD1 3.79Å; V69-L82 HydrophobicContact CG2-CD2 3.84Å; V69-L82 HydrophobicContact CG2-CG 4.49Å
70R98.6Very high98.4Very high215 Ų21571.9 Ų71.981%0.81135%0.345SS*.Hα-helixtrans-71-34.1178.3-73.1172.7-172.4179.23.7112.8N66 D67 L68N66-R70 VanDerWaalsContact O-CG 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.3Å; N66-R70 PolarHBondContact O-N 2.8Å; N66-R70 VanDerWaalsContact O-N 3.14Å; D67-R70 PolarHBondContact O-N 2.89Å; D67-R70 VanDerWaalsContact O-N 3.16Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 3.03Å
71K98.1Very high98.4Very high111 Ų11170.6 Ų70.648%0.48334%0.337SS..Hα-helixtrans-72-55.6179.4-77.5171.7174168.60112N53 D67 L68 Y76N53-K71 PolarHBondContact OD1-NZ 3.46Å; D67-K71 WeakPolarHBondContact O-CG 3.46Å; D67-K71 PolarHBondContact O-N 2.91Å; D67-K71 WeakPolarHBondContact OD1-CE 3.42Å; D67-K71 IonicContact OD1-NZ 2.87Å; D67-K71 VanDerWaalsContact OD2-CE 3.25Å; D67-K71 WeakPolarHBondContact OD2-CE 3.38Å; D67-K71 IonicContact OD2-NZ 3.45Å; D67-K71 PolarHBondContact OD2-NZ 3.16Å; L68-K71 HydrophobicContact CD2-CD 4.24Å; L68-K71 PolarHBondContact O-N 3.4Å; K71-Y76 HydrophobicContact CB-CE2 4.09Å
72D98.3Very high98.4Very high71 Ų7170.9 Ų70.938%0.3834%0.339SS..Hα-helixtrans-165.887-178.7-168.8-27.1000111L68 E74 L75 Y76L68-D72 CarbonylContact O-C 3.54Å; L68-D72 PolarHBondContact O-N 3.22Å; D72-E74 VanDerWaalsContact C-N 3.25Å; D72-E74 PolarHBondContact O-N 2.99Å; D72-E74 PolarHBondContact OD1-N 2.87Å; D72-L75 HydrophobicContact CB-CB 3.96Å; D72-L75 HydrophobicContact CB-CD2 4.46Å; D72-L75 WeakPolarHBondContact OD1-CB 3.37Å; D72-L75 PolarHBondContact OD1-N 2.84Å; D72-L75 WeakPolarHBondContact OD2-CB 3.36Å; D72-Y76 HydrophobicContact CB-CD2 4.23Å; D72-Y76 HydrophobicContact CB-CE2 4.02Å; D72-Y76 WeakPolarHBondContact O-CD2 3.29Å; D72-Y76 PolarHBondContact O-N 2.9Å
73K98.3Very high98.3Very high128 Ų12872.3 Ų72.356%0.55735%0.345SS*.Hα-helixtrans-58-37.6-178.7-174.9-179.1177.2-176.20112.7V69 T77 L82V69-K73 HydrophobicContact CG1-CB 4.45Å; V69-K73 HydrophobicContact CG1-CD 4.38Å; V69-K73 HydrophobicContact CG1-CG 4.46Å; V69-K73 PolarHBondContact O-N 3.41Å; K73-T77 VanDerWaalsContact O-CB 3.25Å; K73-T77 WeakPolarHBondContact O-CB 3.47Å; K73-T77 PolarHBondContact O-N 3.21Å; K73-T77 PolarHBondContact O-OG1 2.94Å; K73-L82 HydrophobicContact CG-CD1 4.25Å
74E98.4Very high98.3Very high145 Ų14567.8 Ų67.868%0.67832%0.324SS*.Hα-helixtrans-68.6-51-175.3-68.1-175.6-179.400110.6D72 Y76 T77 Q78D72-E74 VanDerWaalsContact C-N 3.25Å; D72-E74 PolarHBondContact O-N 2.99Å; D72-E74 PolarHBondContact OD1-N 2.87Å; E74-Y76 PolarHBondContact O-N 3.26Å; E74-T77 PolarHBondContact O-N 3.02Å; E74-Q78 WeakPolarHBondContact O-CG 3.5Å; E74-Q78 PolarHBondContact O-N 3.32Å
75L98.3Very high98.3Very high47 Ų4767.8 Ų67.825%0.24632%0.324CS..Hα-helixtrans-54.8-52.2177.3175.266.2000111.9P47 D72 T77 Q78 N79P47-L75 HydrophobicContact CB-CD2 3.99Å; D72-L75 HydrophobicContact CB-CB 3.96Å; D72-L75 HydrophobicContact CB-CD2 4.46Å; D72-L75 WeakPolarHBondContact OD1-CB 3.37Å; D72-L75 PolarHBondContact OD1-N 2.84Å; D72-L75 WeakPolarHBondContact OD2-CB 3.36Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 3.44Å; L75-Q78 PolarHBondContact O-N 3.17Å; L75-N79 VanDerWaalsContact O-CG 3.22Å; L75-N79 PolarHBondContact O-N 2.9Å; L75-N79 PolarHBondContact O-ND2 3.06Å; L75-N79 PolarHBondContact O-OD1 2.86Å
76Y98.5Very high98.3Very high6 Ų666.5 Ų66.52%0.02432%0.321CS..Hα-helixtrans-76.6-13.8-175-60.2-64.7000113.6N53 L68 K71 D72 E74 N79 I81 L82N53-Y76 WeakPolarHBondContact ND2-CE1 3.25Å; N53-Y76 PolarHBondContact ND2-OH 3.23Å; L68-Y76 HydrophobicContact CB-CD2 3.67Å; L68-Y76 HydrophobicContact CB-CE2 4.15Å; L68-Y76 HydrophobicContact CB-CG 3.95Å; L68-Y76 HydrophobicContact CD1-CD1 3.96Å; L68-Y76 HydrophobicContact CD1-CD2 4.5Å; L68-Y76 HydrophobicContact CD1-CE1 4.29Å; L68-Y76 HydrophobicContact CD1-CG 4.1Å; L68-Y76 HydrophobicContact CD2-CD1 4.34Å; L68-Y76 HydrophobicContact CD2-CD2 4.11Å; L68-Y76 HydrophobicContact CD2-CE1 3.98Å; L68-Y76 HydrophobicContact CD2-CE2 3.76Å; L68-Y76 HydrophobicContact CD2-CG 4.42Å; L68-Y76 HydrophobicContact CG-CD2 4.29Å; L68-Y76 HydrophobicContact CG-CE2 4.44Å; L68-Y76 HydrophobicContact CG-CG 4.39Å; L68-Y76 VanDerWaalsContact O-CD2 3.28Å; L68-Y76 WeakPolarHBondContact O-CD2 3.42Å; K71-Y76 HydrophobicContact CB-CE2 4.09Å; D72-Y76 HydrophobicContact CB-CD2 4.23Å; D72-Y76 HydrophobicContact CB-CE2 4.02Å; D72-Y76 WeakPolarHBondContact O-CD2 3.29Å; D72-Y76 PolarHBondContact O-N 2.9Å; E74-Y76 PolarHBondContact O-N 3.26Å; Y76-N79 VanDerWaalsContact CA-OD1 3.29Å; Y76-N79 WeakPolarHBondContact CA-OD1 3.18Å; Y76-N79 PolarHBondContact O-OD1 3.11Å; Y76-I81 HydrophobicContact CD1-CB 4.43Å; Y76-I81 HydrophobicContact CD1-CD1 4.06Å; Y76-I81 HydrophobicContact CE1-CD1 4.49Å; Y76-I81 PolarHBondContact O-N 3.39Å; Y76-L82 WeakPolarHBondContact O-CG 3.34Å; Y76-L82 PolarHBondContact O-N 3.21Å
77T98.1Very high98.3Very high80 Ų8064.8 Ų64.849%0.49131%0.31SS..Hα-helixtrans-77.6-48.6165.9-58.20000110.1K73 E74 L75 N79 G80K73-T77 VanDerWaalsContact O-CB 3.25Å; K73-T77 WeakPolarHBondContact O-CB 3.47Å; K73-T77 PolarHBondContact O-N 3.21Å; K73-T77 PolarHBondContact O-OG1 2.94Å; E74-T77 PolarHBondContact O-N 3.02Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 3.44Å; T77-N79 PolarHBondContact O-N 3.08Å; T77-G80 PolarHBondContact O-N 3.35Å; T77-G80 VanDerWaalsContact O-N 3.08Å
78Q97.8Very high98.3Very high162 Ų16262.5 Ų62.576%0.75730%0.298SS*.Hα-helixtrans-62.6-38.3-176.4-73.8176.34.100113.1E74 L75 G80E74-Q78 WeakPolarHBondContact O-CG 3.5Å; E74-Q78 PolarHBondContact O-N 3.32Å; L75-Q78 PolarHBondContact O-N 3.17Å; Q78-G80 VanDerWaalsContact C-N 3.29Å; Q78-G80 PolarHBondContact O-N 2.81Å
79N96.4Very high98.3Very high53 Ų5366 Ų6628%0.28331%0.312SS..THydrogen-bonded Turntrans-851.717768.321.1000114.2L75 Y76 T77 I81 H145L75-N79 VanDerWaalsContact O-CG 3.22Å; L75-N79 PolarHBondContact O-N 2.9Å; L75-N79 PolarHBondContact O-ND2 3.06Å; L75-N79 PolarHBondContact O-OD1 2.86Å; Y76-N79 VanDerWaalsContact CA-OD1 3.29Å; Y76-N79 WeakPolarHBondContact CA-OD1 3.18Å; Y76-N79 PolarHBondContact O-OD1 3.11Å; T77-N79 PolarHBondContact O-N 3.08Å; N79-I81 VanDerWaalsContact C-N 3.3Å; N79-I81 PolarHBondContact O-N 3.46Å; N79-I81 WeakPolarHBondContact OD1-CB 3.34Å; N79-I81 VanDerWaalsContact OD1-CG1 3.26Å; N79-I81 WeakPolarHBondContact OD1-CG1 3.41Å; N79-I81 PolarHBondContact OD1-N 2.96Å; N79-H145 PolarHBondContact O-NE2 2.8Å
80G97.9Very high98.2Very high18 Ų1873.1 Ų73.119%0.18634%0.335CS..SBendtrans76.13.617600000116T77 Q78 L82 H83 M84T77-G80 PolarHBondContact O-N 3.35Å; T77-G80 VanDerWaalsContact O-N 3.08Å; Q78-G80 VanDerWaalsContact C-N 3.29Å; Q78-G80 PolarHBondContact O-N 2.81Å; G80-L82 PolarHBondContact O-N 3.12Å; G80-H83 PolarHBondContact O-N 3.45Å; G80-M84 PolarHBondContact O-N 3.04Å
81I98.3Very high98.2Very high4 Ų465 Ų652%0.02131%0.307CS..Hα-helixtrans-65.2-40.2-178.4-69.2172.2000111.7L44 P45 L68 Y76 N79 H83 M84 L85L44-I81 HydrophobicContact CD1-CG2 4.15Å; L44-I81 HydrophobicContact CD2-CG2 4.26Å; P45-I81 HydrophobicContact CB-CD1 3.86Å; P45-I81 HydrophobicContact CG-CD1 3.91Å; L68-I81 HydrophobicContact CD1-CG2 3.44Å; L68-I81 VanDerWaalsContact CD1-CG2 3.44Å; Y76-I81 HydrophobicContact CD1-CB 4.43Å; Y76-I81 HydrophobicContact CD1-CD1 4.06Å; Y76-I81 HydrophobicContact CE1-CD1 4.49Å; Y76-I81 PolarHBondContact O-N 3.39Å; N79-I81 VanDerWaalsContact C-N 3.3Å; N79-I81 PolarHBondContact O-N 3.46Å; N79-I81 WeakPolarHBondContact OD1-CB 3.34Å; N79-I81 VanDerWaalsContact OD1-CG1 3.26Å; N79-I81 WeakPolarHBondContact OD1-CG1 3.41Å; N79-I81 PolarHBondContact OD1-N 2.96Å; I81-H83 VanDerWaalsContact C-N 3.28Å; I81-H83 PolarHBondContact O-N 3.2Å; I81-M84 WeakPolarHBondContact O-CB 3.17Å; I81-M84 PolarHBondContact O-N 3.26Å; I81-L85 HydrophobicContact CG2-CD1 3.97Å; I81-L85 HydrophobicContact CG2-CG 4.3Å; I81-L85 WeakPolarHBondContact O-CG 3.12Å; I81-L85 PolarHBondContact O-N 2.88Å
82L98.6Very high98.3Very high7 Ų761.1 Ų61.14%0.03729%0.29CS..Hα-helixtrans-63-38.1177.1-68.5-177.8000111.8Y65 L68 V69 K73 Y76 G80 L85 D86Y65-L82 HydrophobicContact CD2-CB 4.3Å; Y65-L82 HydrophobicContact CD2-CD2 3.91Å; Y65-L82 WeakPolarHBondContact CD2-O 3.05Å; Y65-L82 HydrophobicContact CE2-CB 3.81Å; Y65-L82 HydrophobicContact CE2-CD2 4.03Å; Y65-L82 HydrophobicContact CE2-CG 4.4Å; Y65-L82 VanDerWaalsContact CE2-O 3.32Å; Y65-L82 WeakPolarHBondContact CE2-O 3.31Å; Y65-L82 HydrophobicContact CG-CD2 4.3Å; L68-L82 HydrophobicContact CB-CD2 3.82Å; V69-L82 HydrophobicContact CG2-CD1 3.79Å; V69-L82 HydrophobicContact CG2-CD2 3.84Å; V69-L82 HydrophobicContact CG2-CG 4.49Å; K73-L82 HydrophobicContact CG-CD1 4.25Å; Y76-L82 WeakPolarHBondContact O-CG 3.34Å; Y76-L82 PolarHBondContact O-N 3.21Å; G80-L82 PolarHBondContact O-N 3.12Å; L82-L85 PolarHBondContact O-N 3.37Å; L82-D86 WeakPolarHBondContact O-CB 3.44Å; L82-D86 PolarHBondContact O-N 3.18Å
83H98.4Very high98.3Very high145 Ų14561.1 Ų61.167%0.67130%0.295SS*.Hα-helixtrans-65.1-44.2174.6-178.9-94.3000111.4G80 I81 L85 D86 R87G80-H83 PolarHBondContact O-N 3.45Å; I81-H83 VanDerWaalsContact C-N 3.28Å; I81-H83 PolarHBondContact O-N 3.2Å; H83-L85 PolarHBondContact O-N 3.07Å; H83-D86 PolarHBondContact O-N 2.95Å; H83-R87 PolarHBondContact O-N 3.42Å
84M98.5Very high98.3Very high12 Ų1260.5 Ų60.56%0.05929%0.29CS..Hα-helixtrans-58.3-45.5175.2-171.4-161.5-60.500112Q16 N17 G80 I81 D86 R87 N88 H145Q16-M84 HydrophobicContact CB-SD 4.13Å; N17-M84 HydrophobicContact CB-CE 3.88Å; N17-M84 HydrophobicContact CB-SD 3.93Å; G80-M84 PolarHBondContact O-N 3.04Å; I81-M84 WeakPolarHBondContact O-CB 3.17Å; I81-M84 PolarHBondContact O-N 3.26Å; M84-D86 VanDerWaalsContact C-N 3.35Å; M84-R87 VanDerWaalsContact CG-NH2 3.26Å; M84-R87 WeakPolarHBondContact O-CB 3.17Å; M84-R87 PolarHBondContact O-N 3.05Å; M84-N88 PolarHBondContact O-N 2.91Å; M84-N88 PolarHBondContact O-OD1 3.11Å; M84-H145 WeakPolarHBondContact CE-CE1 3.39Å
85L98.8Very high98.3Very high0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-66.9-35.8178.1-72.9173.4000112.4L44 Y61 M64 Y65 L68 I81 L82 H83 N88 K89L44-L85 HydrophobicContact CD1-CD1 4.12Å; L44-L85 HydrophobicContact CD1-CD2 4.2Å; L44-L85 HydrophobicContact CD1-CG 4.49Å; Y61-L85 HydrophobicContact CD1-CD2 3.81Å; M64-L85 HydrophobicContact CB-CD1 4.03Å; M64-L85 HydrophobicContact CB-CD2 4.08Å; M64-L85 HydrophobicContact SD-CD2 4.27Å; Y65-L85 HydrophobicContact CD2-CB 4.06Å; L68-L85 HydrophobicContact CD1-CD1 3.8Å; I81-L85 HydrophobicContact CG2-CD1 3.97Å; I81-L85 HydrophobicContact CG2-CG 4.3Å; I81-L85 WeakPolarHBondContact O-CG 3.12Å; I81-L85 PolarHBondContact O-N 2.88Å; L82-L85 PolarHBondContact O-N 3.37Å; H83-L85 PolarHBondContact O-N 3.07Å; L85-N88 PolarHBondContact O-N 3.26Å; L85-K89 PolarHBondContact O-N 2.79Å
86D98.5Very high98.3Very high34 Ų3454 Ų5418%0.18226%0.258CS..Hα-helixtrans-65.3-39.7174.3-165.681.6000112.1Y65 L82 H83 M84 K89 R90Y65-D86 HydrophobicContact CE2-CB 4.34Å; L82-D86 WeakPolarHBondContact O-CB 3.44Å; L82-D86 PolarHBondContact O-N 3.18Å; H83-D86 PolarHBondContact O-N 2.95Å; M84-D86 VanDerWaalsContact C-N 3.35Å; D86-K89 WeakPolarHBondContact O-CG 3.43Å; D86-K89 WeakPolarHBondContact OD1-CE 3.17Å; D86-K89 IonicContact OD1-NZ 2.68Å; D86-K89 PolarHBondContact OD1-NZ 2.63Å; D86-R90 WeakPolarHBondContact O-CG 3.49Å; D86-R90 IonicContact OD2-CZ 3.2Å; D86-R90 IonicContact OD2-NE 2.92Å; D86-R90 PolarHBondContact OD2-NE 2.7Å; D86-R90 IonicContact OD2-NH2 2.71Å; D86-R90 PolarHBondContact OD2-NH2 3.2Å
87R98.4Very high98.3Very high30 Ų3058 Ų5811%0.11327%0.273CS..Hα-helixtrans-59.7-50.4169.4179.7-158.667.1-153.9-0.7110.6Q16 E21 H83 M84 K89 R90 I91Q16-R87 PolarHBondContact O-NH2 3.08Å; E21-R87 WeakPolarHBondContact OE2-CD 3.18Å; E21-R87 IonicContact OE2-CZ 3.26Å; E21-R87 IonicContact OE2-NE 2.73Å; E21-R87 IonicContact OE2-NH1 3.84Å; E21-R87 PolarHBondContact OE2-NH1 2.97Å; H83-R87 PolarHBondContact O-N 3.42Å; M84-R87 VanDerWaalsContact CG-NH2 3.26Å; M84-R87 WeakPolarHBondContact O-CB 3.17Å; M84-R87 PolarHBondContact O-N 3.05Å; R87-K89 PolarHBondContact O-N 3.49Å; R87-R90 WeakPolarHBondContact O-CB 3.48Å; R87-R90 PolarHBondContact O-N 3.42Å; R87-I91 HydrophobicContact CG-CD1 4.08Å; R87-I91 PolarHBondContact O-N 2.78Å
88N98.8Very high98.4Very high0 Ų054.4 Ų54.40%025%0.251CS..Hα-helixtrans-61.4-44.2-173.9-69.9-7.4000112.9Q16 M20 Y61 M84 L85 R90 I91 K92Q16-N88 PolarHBondContact O-ND2 3.01Å; Q16-N88 PolarHBondContact O-OD1 2.9Å; Q16-N88 PolarHBondContact OE1-ND2 3.4Å; M20-N88 VanDerWaalsContact CB-OD1 3.25Å; M20-N88 WeakPolarHBondContact CB-OD1 3.13Å; M20-N88 HydrophobicContact CE-CB 3.96Å; Y61-N88 HydrophobicContact CD1-CB 3.63Å; Y61-N88 HydrophobicContact CD2-CB 3.81Å; Y61-N88 HydrophobicContact CE1-CB 3.71Å; Y61-N88 HydrophobicContact CE2-CB 3.89Å; Y61-N88 HydrophobicContact CG-CB 3.67Å; M84-N88 PolarHBondContact O-N 2.91Å; M84-N88 PolarHBondContact O-OD1 3.11Å; L85-N88 PolarHBondContact O-N 3.26Å; N88-R90 PolarHBondContact O-N 3.49Å; N88-I91 WeakPolarHBondContact O-CB 3.41Å; N88-I91 PolarHBondContact O-N 3.11Å; N88-K92 PolarHBondContact O-N 3.33Å; N88-K92 VanDerWaalsContact O-O 3.04Å
89K98Very high98.4Very high72 Ų7248.5 Ų48.531%0.31322%0.223SC..Hα-helixtrans-66.3-22.9179.874.4-177.2-175.9-163.90113.7L85 D86 R87 I91 K92L85-K89 PolarHBondContact O-N 2.79Å; D86-K89 WeakPolarHBondContact O-CG 3.43Å; D86-K89 WeakPolarHBondContact OD1-CE 3.17Å; D86-K89 IonicContact OD1-NZ 2.68Å; D86-K89 PolarHBondContact OD1-NZ 2.63Å; R87-K89 PolarHBondContact O-N 3.49Å; K89-I91 VanDerWaalsContact C-N 3.33Å; K89-K92 WeakPolarHBondContact CA-O 3.35Å
90R98.3Very high98.4Very high195 Ų19550.1 Ų50.174%0.73624%0.239SC*.Hα-helixtrans-76.3-23.2173.9-66.3171.9-168-143.14.8112.3D86 R87 N88D86-R90 WeakPolarHBondContact O-CG 3.49Å; D86-R90 IonicContact OD2-CZ 3.2Å; D86-R90 IonicContact OD2-NE 2.92Å; D86-R90 PolarHBondContact OD2-NE 2.7Å; D86-R90 IonicContact OD2-NH2 2.71Å; D86-R90 PolarHBondContact OD2-NH2 3.2Å; R87-R90 WeakPolarHBondContact O-CB 3.48Å; R87-R90 PolarHBondContact O-N 3.42Å; N88-R90 PolarHBondContact O-N 3.49Å
91I98.3Very high98.3Very high45 Ų4550 Ų5023%0.23123%0.234CC..Hα-helixtrans-87.3-51.3179.7-64.1164.7000110M20 H23 N24 R87 N88 K89M20-I91 HydrophobicContact CE-CB 3.78Å; M20-I91 HydrophobicContact CE-CD1 3.88Å; M20-I91 HydrophobicContact CE-CG1 4.44Å; M20-I91 HydrophobicContact CE-CG2 3.76Å; H23-I91 WeakPolarHBondContact CD2-CG2 3.31Å; H23-I91 VanDerWaalsContact NE2-CG2 3.33Å; H23-I91 WeakPolarHBondContact NE2-CG2 3.41Å; N24-I91 HydrophobicContact CB-CD1 3.73Å; R87-I91 HydrophobicContact CG-CD1 4.08Å; R87-I91 PolarHBondContact O-N 2.78Å; N88-I91 WeakPolarHBondContact O-CB 3.41Å; N88-I91 PolarHBondContact O-N 3.11Å; K89-I91 VanDerWaalsContact C-N 3.33Å
92K98.6Very high98.2Very high30 Ų3057.3 Ų57.313%0.1327%0.266CS..  trans-155.3163.7177.268.7-173.8-171.2172.70111.9N15 M20 S35 Y61 N88 K89 R94 E96N15-K92 WeakPolarHBondContact ND2-CE 3.38Å; N15-K92 PolarHBondContact ND2-NZ 3.07Å; M20-K92 HydrophobicContact CE-CG 4.21Å; S35-K92 PolarHBondContact O-NZ 2.85Å; S35-K92 PolarHBondContact OG-NZ 2.86Å; Y61-K92 VanDerWaalsContact CD2-O 3.26Å; Y61-K92 WeakPolarHBondContact CD2-O 3.29Å; Y61-K92 HydrophobicContact CE2-CG 3.96Å; N88-K92 PolarHBondContact O-N 3.33Å; N88-K92 VanDerWaalsContact O-O 3.04Å; K89-K92 WeakPolarHBondContact CA-O 3.35Å; K92-R94 VanDerWaalsContact CE-O 3.31Å; K92-R94 WeakPolarHBondContact CE-O 3.44Å; K92-R94 PolarHBondContact O-N 2.88Å; K92-E96 IonicContact NZ-OE2 3.67Å; K92-E96 PolarHBondContact NZ-OE2 2.8Å
93S98.5Very high98.1Very high70 Ų7060 Ų6049%0.4928%0.281SS..SBendtrans-69.6-36.7-170.762.90000114.7T60 Y61T60-S93 VanDerWaalsContact CA-O 3.29Å; T60-S93 WeakPolarHBondContact CA-O 3.46Å; T60-S93 VanDerWaalsContact CB-O 3.24Å; T60-S93 WeakPolarHBondContact CB-O 3.42Å; Y61-S93 PolarHBondContact N-O 2.88Å
94R98.8Very high98Very high115 Ų11556 Ų5643%0.43426%0.263SS..SBendtrans-149.5155.8-172.373.1178.584.992.50.4111.5T60 K92T60-R94 HydrophobicContact CG2-CB 4.42Å; K92-R94 VanDerWaalsContact CE-O 3.31Å; K92-R94 WeakPolarHBondContact CE-O 3.44Å; K92-R94 PolarHBondContact O-N 2.88Å
95P98.8Very high97.9Very high1 Ų155.8 Ų55.81%0.00626%0.261CS..  trans-64150.4168.227.5-32.6000110.8N15 V42 F57 T59 Y61 M64N15-P95 HydrophobicContact CB-CB 3.86Å; N15-P95 WeakPolarHBondContact ND2-CA 3.11Å; V42-P95 HydrophobicContact CG1-CG 4.49Å; V42-P95 HydrophobicContact CG2-CB 3.97Å; V42-P95 HydrophobicContact CG2-CG 3.57Å; F57-P95 HydrophobicContact CD1-CB 3.99Å; F57-P95 HydrophobicContact CD1-CG 4.33Å; F57-P95 HydrophobicContact CE1-CB 4.23Å; F57-P95 VanDerWaalsContact O-O 3.12Å; T59-P95 VanDerWaalsContact O-CD 3.31Å; T59-P95 WeakPolarHBondContact O-CD 3.47Å; Y61-P95 HydrophobicContact CE1-CB 4.12Å; Y61-P95 HydrophobicContact CE1-CG 4.19Å; Y61-P95 VanDerWaalsContact OH-CA 3.3Å; Y61-P95 WeakPolarHBondContact OH-CA 3.48Å; M64-P95 HydrophobicContact CE-CG 3.83Å
96E98.8Very high97.8Very high56 Ų5658.7 Ų58.726%0.26228%0.277SS..  trans-125.5138.1-176.5-62.8178.5100.300109.4R34 F36 G37 K92R34-E96 IonicContact CZ-OE1 2.59Å; R34-E96 IonicContact NH2-OE1 3.22Å; R34-E96 PolarHBondContact NH2-OE1 2.93Å; R34-E96 IonicContact NH2-OE2 3.8Å; R34-E96 PolarHBondContact NH2-OE2 3.04Å; F36-E96 CarbonylContact C-O 3.54Å; F36-E96 VanDerWaalsContact CA-O 3.31Å; F36-E96 WeakPolarHBondContact CA-O 3.32Å; F36-E96 HydrophobicContact CD1-CB 3.71Å; F36-E96 HydrophobicContact CE1-CB 4.03Å; G37-E96 PolarHBondContact N-O 3.4Å; K92-E96 IonicContact NZ-OE2 3.67Å; K92-E96 PolarHBondContact NZ-OE2 2.8Å
97R98.6Very high97.7Very high90 Ų9057.1 Ų57.134%0.3427%0.268SS..BIsolated β-bridgetrans-89.9127.2179.8-172.6166.7-176-115.8-8.4109.7G37 G39 F57 Q99 S100G37-R97 CarbonylContact O-C 3.6Å; G37-R97 VanDerWaalsContact O-CA 3.26Å; G37-R97 WeakPolarHBondContact O-CA 3.4Å; G39-R97 PolarHBondContact O-NE 3Å; G39-R97 VanDerWaalsContact O-NE 3.08Å; F57-R97 HydrophobicContact CD1-CB 3.9Å; F57-R97 HydrophobicContact CD2-CB 4.2Å; F57-R97 HydrophobicContact CE1-CB 4.04Å; F57-R97 HydrophobicContact CE2-CB 4.35Å; F57-R97 HydrophobicContact CE2-CG 4.42Å; F57-R97 HydrophobicContact CG-CB 3.98Å; F57-R97 HydrophobicContact CZ-CB 4.27Å; F57-R97 HydrophobicContact CZ-CG 4.45Å; R97-Q99 VanDerWaalsContact C-N 3.31Å; R97-Q99 PolarHBondContact O-N 3.3Å; R97-S100 PolarHBondContact O-N 3.15Å; R97-S100 VanDerWaalsContact O-N 3.08Å
98F98.6Very high97.8Very high4 Ų455.7 Ų55.72%0.01826%0.263CS..G310 helixtrans-58.5-44.6-174.2-175.8-96.2000111.7V11 F36 G37 T38 S100 C101 V108 V119 D122 L123 R126V11-F98 HydrophobicContact CG1-CB 4.23Å; V11-F98 HydrophobicContact CG1-CD2 4.46Å; V11-F98 HydrophobicContact CG1-CG 4.47Å; V11-F98 HydrophobicContact CG2-CD2 3.76Å; V11-F98 HydrophobicContact CG2-CE2 4.08Å; F36-F98 HydrophobicContact CB-CB 3.76Å; F36-F98 HydrophobicContact CB-CD2 4.02Å; F36-F98 HydrophobicContact CB-CG 4.41Å; F36-F98 AromaticContact CD2-CD2 3.83Å; F36-F98 HydrophobicContact CD2-CD2 3.83Å; F36-F98 HydrophobicContact CD2-CE2 4.47Å; F36-F98 HydrophobicContact CG-CB 4.3Å; F36-F98 AromaticContact CG-CD2 3.96Å; F36-F98 HydrophobicContact CG-CD2 3.96Å; G37-F98 PolarHBondContact O-N 3.12Å; T38-F98 HydrophobicContact CG2-CB 4.35Å; F98-S100 PolarHBondContact O-N 2.89Å; F98-C101 WeakPolarHBondContact O-CB 3.27Å; F98-C101 PolarHBondContact O-N 2.92Å; F98-V108 HydrophobicContact CE2-CG1 4.24Å; F98-V108 HydrophobicContact CE2-CG2 4.48Å; F98-V108 HydrophobicContact CZ-CG1 4.45Å; F98-V108 HydrophobicContact CZ-CG2 4.49Å; F98-V119 HydrophobicContact CD1-CG2 4.12Å; F98-V119 HydrophobicContact CE1-CB 4.41Å; F98-V119 HydrophobicContact CE1-CG1 3.92Å; F98-V119 HydrophobicContact CE1-CG2 4.19Å; F98-V119 HydrophobicContact CG-CG2 4.4Å; F98-V119 HydrophobicContact CZ-CG1 4.02Å; F98-D122 WeakPolarHBondContact CD1-OD2 3.34Å; F98-L123 HydrophobicContact CE1-CD2 4.15Å; F98-L123 HydrophobicContact CE1-CG 4.17Å; F98-L123 HydrophobicContact CZ-CD2 4.2Å; F98-L123 HydrophobicContact CZ-CG 4.41Å; F98-R126 PolarHBondContact O-NH2 3.34Å
99Q98.3Very high97.8Very high37 Ų3755.7 Ų55.717%0.17326%0.263CS..G310 helixtrans-63.9-13.6-179.3-57.494.1-19.200113.9T38 R97 D122T38-Q99 PolarHBondContact O-NE2 2.79Å; R97-Q99 VanDerWaalsContact C-N 3.31Å; R97-Q99 PolarHBondContact O-N 3.3Å; Q99-D122 WeakPolarHBondContact CA-OD2 3.4Å; Q99-D122 WeakPolarHBondContact CB-OD1 3.24Å; Q99-D122 HydrophobicContact CG-CB 3.79Å; Q99-D122 VanDerWaalsContact CG-CG 3.43Å; Q99-D122 VanDerWaalsContact CG-OD1 3.3Å; Q99-D122 WeakPolarHBondContact CG-OD1 3.39Å
100S97.1Very high97.8Very high88 Ų8852.2 Ų52.262%0.61525%0.248SC*.G310 helixtrans-98.6-7176.4-55.50000113.2R97 F98R97-S100 PolarHBondContact O-N 3.15Å; R97-S100 VanDerWaalsContact O-N 3.08Å; F98-S100 PolarHBondContact O-N 2.89Å
101C96Very high97.8Very high14 Ų1443 Ų4310%0.09521%0.213CC..  trans-91.5138-179.6-168.70000111.1R34 F36 F98 R126R34-C101 PolarHBondContact NH1-SG 2.9Å; F36-C101 HydrophobicContact CD1-CB 4.28Å; F36-C101 HydrophobicContact CE1-CB 3.7Å; F36-C101 HydrophobicContact CZ-CB 4.12Å; F98-C101 WeakPolarHBondContact O-CB 3.27Å; F98-C101 PolarHBondContact O-N 2.92Å; C101-R126 PolarHBondContact O-NH1 3.4Å; C101-R126 PolarHBondContact O-NH2 3.24Å
102K94.7Very high97.8Very high158 Ų15843.3 Ų43.369%0.68721%0.213SC*.  trans-111.23.6177.5-61.5-60.7-173.9178.80113.6
103D96.4Very high97.8Very high63 Ų6347 Ų4734%0.33723%0.231SC..  trans-65.5146.6173.5-7125.9000110.6R34 F105R34-D103 WeakPolarHBondContact CD-OD2 3.49Å; R34-D103 IonicContact CZ-OD2 3.5Å; R34-D103 IonicContact NE-OD2 2.8Å; R34-D103 IonicContact NH1-OD1 2.8Å; R34-D103 PolarHBondContact NH1-OD1 3.12Å; R34-D103 IonicContact NH1-OD2 3.26Å; R34-D103 PolarHBondContact NH1-OD2 3.37Å; D103-F105 HydrophobicContact CB-CE1 4.32Å; D103-F105 HydrophobicContact CB-CE2 3.99Å; D103-F105 HydrophobicContact CB-CZ 3.65Å
104Q96.6Very high97.8Very high63 Ų6351.5 Ų51.529%0.29424%0.237SC..  trans-97.8144.9172.2-60.2-174.4-9.200110.2R7 T130 Y194R7-Q104 PolarHBondContact NH1-O 3.3Å; R7-Q104 PolarHBondContact NH2-O 3.01Å; Q104-T130 PolarHBondContact NE2-OG1 3.33Å; Q104-T130 VanDerWaalsContact NE2-OG1 3.15Å; Q104-Y194 HydrophobicContact CB-CD2 3.7Å; Q104-Y194 HydrophobicContact CB-CE2 3.56Å; Q104-Y194 HydrophobicContact CB-CG 4.23Å; Q104-Y194 HydrophobicContact CG-CD1 4.05Å; Q104-Y194 HydrophobicContact CG-CD2 3.65Å; Q104-Y194 HydrophobicContact CG-CE1 4.37Å; Q104-Y194 HydrophobicContact CG-CE2 3.97Å; Q104-Y194 HydrophobicContact CG-CG 3.69Å
105F97.4Very high97.8Very high7 Ų746 Ų463%0.03122%0.217CC..  trans-131.8152.2-179.8-56.3-76.1000109.7A9 R34 F36 D103 V108 V134 Y194A9-F105 HydrophobicContact CB-CB 4.37Å; A9-F105 HydrophobicContact CB-CD1 3.8Å; A9-F105 HydrophobicContact CB-CD2 3.63Å; A9-F105 HydrophobicContact CB-CE1 3.96Å; A9-F105 HydrophobicContact CB-CE2 3.8Å; A9-F105 HydrophobicContact CB-CG 3.64Å; A9-F105 HydrophobicContact CB-CZ 3.97Å; R34-F105 HydrophobicContact CB-CE1 3.86Å; R34-F105 HydrophobicContact CB-CZ 4.08Å; R34-F105 HydrophobicContact CG-CE1 4.01Å; R34-F105 HydrophobicContact CG-CZ 4.41Å; F36-F105 HydrophobicContact CE2-CE1 4.41Å; F36-F105 AromaticContact CE2-CE2 3.89Å; F36-F105 HydrophobicContact CE2-CE2 3.89Å; F36-F105 AromaticContact CE2-CZ 3.55Å; F36-F105 HydrophobicContact CE2-CZ 3.55Å; F36-F105 HydrophobicContact CZ-CE2 4.27Å; F36-F105 AromaticContact CZ-CZ 3.76Å; F36-F105 HydrophobicContact CZ-CZ 3.76Å; D103-F105 HydrophobicContact CB-CE1 4.32Å; D103-F105 HydrophobicContact CB-CE2 3.99Å; D103-F105 HydrophobicContact CB-CZ 3.65Å; F105-V108 HydrophobicContact CB-CG2 4.22Å; F105-V108 HydrophobicContact CD2-CG2 4.36Å; F105-V134 WeakPolarHBondContact O-CB 3.3Å; F105-V134 WeakPolarHBondContact O-CG2 3.49Å; F105-Y194 WeakPolarHBondContact CD2-OH 3.34Å; F105-Y194 PolarHBondContact N-OH 3.17Å; F105-Y194 WeakPolarHBondContact O-CE2 3.44Å
106D96.1Very high97.8Very high61 Ų6146.8 Ų46.833%0.32622%0.22SC..SBendtrans-78.7-34.9172.6-50.3-46.3000109.8L6 R7 H135L6-D106 HydrophobicContact CD1-CB 3.72Å; R7-D106 WeakPolarHBondContact CB-OD2 3.23Å; R7-D106 PolarHBondContact N-OD2 2.95Å; R7-D106 PolarHBondContact O-N 2.98Å; D106-H135 PolarHBondContact O-N 3.27Å; D106-H135 VanDerWaalsContact O-N 3.1Å
107L97.6Very high97.8Very high0 Ų048.3 Ų48.30%023%0.23CC..EExtended strand (participates in β ladder)trans-137126.8-176.4-178.363.8000111.7L6 R7 V8 A9 I109 H135 I137 I162L6-L107 HydrophobicContact CD1-CB 4.45Å; L6-L107 HydrophobicContact CD2-CD2 4.12Å; R7-L107 PolarHBondContact O-N 3.26Å; V8-L107 CarbonylContact C-O 3.47Å; V8-L107 WeakPolarHBondContact CA-O 3.45Å; A9-L107 PolarHBondContact N-O 3.28Å; L107-I109 HydrophobicContact CD1-CG1 4.42Å; L107-I109 HydrophobicContact CD2-CD1 3.9Å; L107-I109 HydrophobicContact CD2-CG1 4.1Å; L107-I109 HydrophobicContact CG-CD1 4.32Å; L107-I109 HydrophobicContact CG-CG1 3.97Å; L107-H135 CarbonylContact C-O 3.53Å; L107-H135 WeakPolarHBondContact CA-O 3.44Å; L107-H135 HydrophobicContact CD1-CB 3.86Å; L107-I137 HydrophobicContact CD1-CD1 3.53Å; L107-I137 HydrophobicContact CD1-CG1 3.85Å; L107-I162 HydrophobicContact CD2-CD1 3.76Å
108V98.7Very high97.8Very high0 Ų046.1 Ų46.10%022%0.223CC..EExtended strand (participates in β ladder)trans-112.5122.3171.1-178.70000109A9 V11 F98 F105 V119 V134 H135 V136 I137A9-V108 HydrophobicContact CB-CG1 4.5Å; A9-V108 HydrophobicContact CB-CG2 4.22Å; A9-V108 CarbonylContact O-C 3.13Å; A9-V108 WeakPolarHBondContact O-CA 3.43Å; V11-V108 HydrophobicContact CG2-CG1 3.76Å; F98-V108 HydrophobicContact CE2-CG1 4.24Å; F98-V108 HydrophobicContact CE2-CG2 4.48Å; F98-V108 HydrophobicContact CZ-CG1 4.45Å; F98-V108 HydrophobicContact CZ-CG2 4.49Å; F105-V108 HydrophobicContact CB-CG2 4.22Å; F105-V108 HydrophobicContact CD2-CG2 4.36Å; V108-V119 HydrophobicContact CG1-CG1 4.01Å; V108-V134 HydrophobicContact CG2-CG2 3.65Å; V108-H135 PolarHBondContact N-O 2.85Å; V108-V136 HydrophobicContact CB-CG1 4.36Å; V108-V136 HydrophobicContact CB-CG2 4.34Å; V108-V136 HydrophobicContact CG1-CG1 4.39Å; V108-V136 CarbonylContact O-C 3.57Å; V108-V136 VanDerWaalsContact O-CA 3.3Å; V108-V136 WeakPolarHBondContact O-CA 3.38Å; V108-I137 PolarHBondContact O-N 3.42Å
109I98.8Very high97.8Very high0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-109.9124.4178.6-60.7176.7000109.6V8 A9 V10 V11 L107 I137 V139 I155 C159V8-I109 HydrophobicContact CG1-CD1 4.28Å; A9-I109 PolarHBondContact O-N 2.87Å; V10-I109 CarbonylContact C-O 3.56Å; V10-I109 WeakPolarHBondContact CA-O 3.36Å; V11-I109 PolarHBondContact N-O 2.68Å; L107-I109 HydrophobicContact CD1-CG1 4.42Å; L107-I109 HydrophobicContact CD2-CD1 3.9Å; L107-I109 HydrophobicContact CD2-CG1 4.1Å; L107-I109 HydrophobicContact CG-CD1 4.32Å; L107-I109 HydrophobicContact CG-CG1 3.97Å; I109-I137 CarbonylContact C-O 3.49Å; I109-I137 VanDerWaalsContact CA-O 3.28Å; I109-I137 WeakPolarHBondContact CA-O 3.26Å; I109-V139 HydrophobicContact CG2-CG2 3.9Å; I109-I155 HydrophobicContact CD1-CG2 3.66Å; I109-I155 HydrophobicContact CG2-CD1 3.72Å; I109-I155 HydrophobicContact CG2-CG1 3.91Å; I109-C159 VanDerWaalsContact CD1-SG 3.52Å
110T98.9Very high97.8Very high0 Ų046 Ų460%022%0.223CC..EExtended strand (participates in β ladder)trans-103.6144.8176.2610000111.5V11 V115 Y116 V119 V136 I137 N138 V139V11-T110 HydrophobicContact CB-CG2 4.32Å; V11-T110 WeakPolarHBondContact O-CA 3.38Å; T110-V115 HydrophobicContact CG2-CG1 4.05Å; T110-Y116 HydrophobicContact CG2-CD2 4.48Å; T110-Y116 WeakPolarHBondContact OG1-CB 3.15Å; T110-V119 HydrophobicContact CG2-CB 4.18Å; T110-V119 HydrophobicContact CG2-CG2 3.81Å; T110-V136 HydrophobicContact CG2-CG1 4.36Å; T110-I137 PolarHBondContact N-O 2.7Å; T110-N138 PolarHBondContact O-OD1 3.46Å; T110-N138 VanDerWaalsContact OG1-CA 3.31Å; T110-N138 WeakPolarHBondContact OG1-CA 3.33Å; T110-N138 WeakPolarHBondContact OG1-CB 3.11Å; T110-N138 PolarHBondContact OG1-OD1 2.99Å; T110-V139 PolarHBondContact O-N 2.89Å
111C98.6Very high97.8Very high0 Ų048.3 Ų48.30%023%0.225CC..SBendtrans-94.30.3-174-55.40000115.2V11 C12 R18 V139 I141V11-C111 PolarHBondContact O-N 3.22Å; V11-C111 PolarHBondContact O-SG 3.5Å; V11-C111 VanDerWaalsContact O-SG 3.35Å; C12-C111 HydrophobicContact CB-CB 4.01Å; R18-C111 HydrophobicContact CB-CB 3.89Å; R18-C111 PolarHBondContact NH1-O 3.45Å; C111-V139 CarbonylContact C-O 3.51Å; C111-V139 VanDerWaalsContact CA-O 3.24Å; C111-V139 WeakPolarHBondContact CA-O 3.45Å; C111-I141 HydrophobicContact CB-CB 4.46Å; C111-I141 HydrophobicContact CB-CD1 4.32Å; C111-I141 PolarHBondContact O-N 3.45Å
112E97.9Very high97.9Very high52 Ų5248.6 Ų48.624%0.24323%0.226CC..SBendtrans-167150.1174.962.3-164.9164.200110.5R18 R114 V115 Y116 N138 D140R18-E112 IonicContact CZ-OE1 3.09Å; R18-E112 IonicContact CZ-OE2 3.65Å; R18-E112 IonicContact NH1-OE1 2.81Å; R18-E112 IonicContact NH1-OE2 3.52Å; R18-E112 PolarHBondContact NH1-OE2 2.92Å; R18-E112 IonicContact NH2-OE1 3.85Å; R18-E112 PolarHBondContact NH2-OE1 3.4Å; R18-E112 VanDerWaalsContact NH2-OE1 3.13Å; R18-E112 IonicContact NH2-OE2 2.63Å; R18-E112 PolarHBondContact NH2-OE2 3.41Å; E112-R114 VanDerWaalsContact C-N 3.27Å; E112-R114 PolarHBondContact O-N 3.27Å; E112-V115 HydrophobicContact CG-CB 3.9Å; E112-V115 HydrophobicContact CG-CG2 3.44Å; E112-V115 VanDerWaalsContact CG-CG2 3.44Å; E112-V115 WeakPolarHBondContact O-CA 3.41Å; E112-V115 WeakPolarHBondContact O-CB 3.44Å; E112-V115 PolarHBondContact O-N 2.9Å; E112-V115 WeakPolarHBondContact OE1-CG2 3.49Å; E112-Y116 PolarHBondContact O-N 3.48Å; E112-N138 WeakPolarHBondContact CA-OD1 3.42Å; E112-N138 PolarHBondContact N-OD1 2.91Å; E112-N138 PolarHBondContact O-OD1 3.31Å; E112-N138 VanDerWaalsContact O-OD1 3.1Å; E112-D140 VanDerWaalsContact CA-OD1 3.3Å; E112-D140 WeakPolarHBondContact CA-OD1 3.49Å
113E98.3Very high98.1Very high109 Ų10941.3 Ų41.351%0.50919%0.194SC..Hα-helixtrans-52-40.8-177.9-174.2178.7-174.200113.5V115 Y116 D117 N138 D140 L188E113-V115 VanDerWaalsContact C-N 3.26Å; E113-V115 PolarHBondContact O-N 3.42Å; E113-Y116 WeakPolarHBondContact O-CA 3.26Å; E113-Y116 WeakPolarHBondContact O-CB 3.36Å; E113-Y116 PolarHBondContact O-N 2.87Å; E113-Y116 VanDerWaalsContact O-N 3.1Å; E113-D117 PolarHBondContact O-N 3.02Å; E113-N138 PolarHBondContact N-ND2 3.12Å; E113-N138 PolarHBondContact N-OD1 3.05Å; E113-D140 PolarHBondContact N-OD1 2.8Å; E113-D140 VanDerWaalsContact N-OD1 3.15Å; E113-L188 HydrophobicContact CG-CD1 3.99Å
114R98.4Very high98Very high163 Ų16342.4 Ų42.462%0.61521%0.206SC*.Hα-helixtrans-61-36.1176177.2-178.2163.31791.4112.8E112 Q118E112-R114 VanDerWaalsContact C-N 3.27Å; E112-R114 PolarHBondContact O-N 3.27Å; R114-Q118 VanDerWaalsContact O-CG 3.24Å; R114-Q118 WeakPolarHBondContact O-CG 3.49Å; R114-Q118 PolarHBondContact O-N 3.44Å
115V98.8Very high98Very high0 Ų043.6 Ų43.60%022%0.222CC..Hα-helixtrans-73.7-36.7177.4172.80000109.8V11 T38 T110 E112 E113 Q118 V119V11-V115 HydrophobicContact CB-CG1 4.07Å; V11-V115 HydrophobicContact CG1-CG1 3.69Å; T38-V115 HydrophobicContact CG2-CG1 3.85Å; T110-V115 HydrophobicContact CG2-CG1 4.05Å; E112-V115 HydrophobicContact CG-CB 3.9Å; E112-V115 HydrophobicContact CG-CG2 3.44Å; E112-V115 VanDerWaalsContact CG-CG2 3.44Å; E112-V115 WeakPolarHBondContact O-CA 3.41Å; E112-V115 WeakPolarHBondContact O-CB 3.44Å; E112-V115 PolarHBondContact O-N 2.9Å; E112-V115 WeakPolarHBondContact OE1-CG2 3.49Å; E113-V115 VanDerWaalsContact C-N 3.26Å; E113-V115 PolarHBondContact O-N 3.42Å; V115-Q118 PolarHBondContact O-N 3.14Å; V115-V119 WeakPolarHBondContact O-CG2 3.35Å; V115-V119 PolarHBondContact O-N 3.26Å
116Y98.8Very high97.9Very high18 Ų1845.2 Ų45.27%0.07123%0.228CC..Hα-helixtrans-53.8-56.7171.2-177.1-103.8000111.3T110 E112 E113 Q118 V119 L120 V136 N138 L188 T190T110-Y116 HydrophobicContact CG2-CD2 4.48Å; T110-Y116 WeakPolarHBondContact OG1-CB 3.15Å; E112-Y116 PolarHBondContact O-N 3.48Å; E113-Y116 WeakPolarHBondContact O-CA 3.26Å; E113-Y116 WeakPolarHBondContact O-CB 3.36Å; E113-Y116 PolarHBondContact O-N 2.87Å; E113-Y116 VanDerWaalsContact O-N 3.1Å; Y116-Q118 VanDerWaalsContact C-N 3.25Å; Y116-Q118 PolarHBondContact O-N 3.31Å; Y116-V119 WeakPolarHBondContact O-CB 3.38Å; Y116-V119 PolarHBondContact O-N 2.8Å; Y116-L120 HydrophobicContact CD1-CD1 3.88Å; Y116-L120 HydrophobicContact CD1-CG 4.3Å; Y116-L120 HydrophobicContact CE1-CD1 3.36Å; Y116-L120 HydrophobicContact CE1-CG 4.13Å; Y116-L120 HydrophobicContact CE2-CD1 4.42Å; Y116-L120 HydrophobicContact CE2-CD2 4.4Å; Y116-L120 WeakPolarHBondContact O-CG 3.49Å; Y116-L120 PolarHBondContact O-N 2.76Å; Y116-V136 HydrophobicContact CD2-CG1 3.78Å; Y116-V136 HydrophobicContact CE2-CB 4.15Å; Y116-V136 HydrophobicContact CE2-CG1 3.69Å; Y116-N138 HydrophobicContact CD2-CB 3.73Å; Y116-N138 HydrophobicContact CE2-CB 4.35Å; Y116-N138 HydrophobicContact CG-CB 3.98Å; Y116-L188 HydrophobicContact CD1-CD1 4.03Å; Y116-L188 HydrophobicContact CE1-CB 4.09Å; Y116-L188 HydrophobicContact CE1-CD1 4.15Å; Y116-L188 HydrophobicContact CE2-CB 4.25Å; Y116-T190 HydrophobicContact CE2-CG2 4.44Å; Y116-T190 VanDerWaalsContact OH-CB 3.27Å; Y116-T190 WeakPolarHBondContact OH-CB 3.22Å; Y116-T190 WeakPolarHBondContact OH-CG2 3.42Å; Y116-T190 PolarHBondContact OH-N 3.34Å
117D98.6Very high97.7Very high88 Ų8850 Ų5047%0.47125%0.248SC..Hα-helixtrans-54.5-42.4178.8-67.4-24.3000112.4E113 V119 L120 E121E113-D117 PolarHBondContact O-N 3.02Å; D117-V119 VanDerWaalsContact C-N 3.34Å; D117-V119 PolarHBondContact O-N 3.32Å; D117-L120 PolarHBondContact O-N 2.94Å; D117-E121 WeakPolarHBondContact O-CB 3.34Å; D117-E121 PolarHBondContact O-N 3.02Å
118Q98.7Very high97.4Very high44 Ų4453.9 Ų53.921%0.20627%0.266CS..Hα-helixtrans-69.6-30.2179.9-71.8179.7-30.200113.5T38 R114 V115 Y116 D122T38-Q118 HydrophobicContact CG2-CB 3.95Å; T38-Q118 PolarHBondContact OG1-OE1 2.92Å; R114-Q118 VanDerWaalsContact O-CG 3.24Å; R114-Q118 WeakPolarHBondContact O-CG 3.49Å; R114-Q118 PolarHBondContact O-N 3.44Å; V115-Q118 PolarHBondContact O-N 3.14Å; Y116-Q118 VanDerWaalsContact C-N 3.25Å; Y116-Q118 PolarHBondContact O-N 3.31Å; Q118-D122 WeakPolarHBondContact O-CB 3.28Å; Q118-D122 PolarHBondContact O-N 3.36Å
119V98.7Very high97Very high0 Ų061.3 Ų61.30%030%0.301CS..Hα-helixtrans-71.1-44.2172.2165.50000109.7V11 T38 F98 V108 T110 V115 Y116 D117 D122 L123 V136V11-V119 HydrophobicContact CB-CG2 4.3Å; V11-V119 HydrophobicContact CG1-CG2 3.98Å; V11-V119 HydrophobicContact CG2-CG2 4.36Å; T38-V119 HydrophobicContact CG2-CG2 3.86Å; F98-V119 HydrophobicContact CD1-CG2 4.12Å; F98-V119 HydrophobicContact CE1-CB 4.41Å; F98-V119 HydrophobicContact CE1-CG1 3.92Å; F98-V119 HydrophobicContact CE1-CG2 4.19Å; F98-V119 HydrophobicContact CG-CG2 4.4Å; F98-V119 HydrophobicContact CZ-CG1 4.02Å; V108-V119 HydrophobicContact CG1-CG1 4.01Å; T110-V119 HydrophobicContact CG2-CB 4.18Å; T110-V119 HydrophobicContact CG2-CG2 3.81Å; V115-V119 WeakPolarHBondContact O-CG2 3.35Å; V115-V119 PolarHBondContact O-N 3.26Å; Y116-V119 WeakPolarHBondContact O-CB 3.38Å; Y116-V119 PolarHBondContact O-N 2.8Å; D117-V119 VanDerWaalsContact C-N 3.34Å; D117-V119 PolarHBondContact O-N 3.32Å; V119-D122 PolarHBondContact O-N 3.2Å; V119-L123 HydrophobicContact CG1-CD1 3.82Å; V119-L123 HydrophobicContact CG1-CG 4.35Å; V119-L123 WeakPolarHBondContact O-CB 3.47Å; V119-L123 WeakPolarHBondContact O-CG 3.34Å; V119-L123 PolarHBondContact O-N 2.85Å; V119-V136 HydrophobicContact CG1-CG1 3.91Å; V119-V136 HydrophobicContact CG1-CG2 4.46Å
120L98.4Very high96.7Very high37 Ų3764.4 Ų64.419%0.19432%0.32CS..Hα-helixtrans-64.9-44.5178.9-61.1-168.2000112.5Y116 D117 D122 L123 S124 V136 T190Y116-L120 HydrophobicContact CD1-CD1 3.88Å; Y116-L120 HydrophobicContact CD1-CG 4.3Å; Y116-L120 HydrophobicContact CE1-CD1 3.36Å; Y116-L120 HydrophobicContact CE1-CG 4.13Å; Y116-L120 HydrophobicContact CE2-CD1 4.42Å; Y116-L120 HydrophobicContact CE2-CD2 4.4Å; Y116-L120 WeakPolarHBondContact O-CG 3.49Å; Y116-L120 PolarHBondContact O-N 2.76Å; D117-L120 PolarHBondContact O-N 2.94Å; L120-D122 VanDerWaalsContact C-N 3.3Å; L120-D122 PolarHBondContact O-N 2.79Å; L120-L123 PolarHBondContact O-N 3.08Å; L120-S124 VanDerWaalsContact O-CB 3.28Å; L120-S124 WeakPolarHBondContact O-CB 3.15Å; L120-S124 PolarHBondContact O-N 2.87Å; L120-S124 PolarHBondContact O-OG 3.22Å; L120-V136 HydrophobicContact CD2-CB 3.99Å; L120-V136 HydrophobicContact CD2-CG1 3.95Å; L120-V136 HydrophobicContact CD2-CG2 4.02Å; L120-T190 HydrophobicContact CD1-CG2 3.86Å; L120-T190 HydrophobicContact CD2-CG2 3.31Å; L120-T190 HydrophobicContact CG-CG2 4.23Å
121E98.3Very high96.4Very high137 Ų13770.6 Ų70.664%0.6435%0.347SS*.Hα-helixtrans-59.1-44.7176-175.4-177.3-16700110.5D117 S124 S125D117-E121 WeakPolarHBondContact O-CB 3.34Å; D117-E121 PolarHBondContact O-N 3.02Å; E121-S124 PolarHBondContact O-OG 3.08Å; E121-S124 VanDerWaalsContact O-OG 3.06Å; E121-S125 VanDerWaalsContact O-CB 3.28Å; E121-S125 WeakPolarHBondContact O-CB 3.23Å; E121-S125 PolarHBondContact O-N 3.27Å; E121-S125 PolarHBondContact O-OG 2.77Å
122D98.3Very high96.2Very high21 Ų2173.4 Ų73.411%0.11236%0.364CS..Hα-helixtrans-66-48.3178.8-179.967.4000112.1F98 Q99 Q118 V119 L120 S124 S125 R126F98-D122 WeakPolarHBondContact CD1-OD2 3.34Å; Q99-D122 WeakPolarHBondContact CA-OD2 3.4Å; Q99-D122 WeakPolarHBondContact CB-OD1 3.24Å; Q99-D122 HydrophobicContact CG-CB 3.79Å; Q99-D122 VanDerWaalsContact CG-CG 3.43Å; Q99-D122 VanDerWaalsContact CG-OD1 3.3Å; Q99-D122 WeakPolarHBondContact CG-OD1 3.39Å; Q118-D122 WeakPolarHBondContact O-CB 3.28Å; Q118-D122 PolarHBondContact O-N 3.36Å; V119-D122 PolarHBondContact O-N 3.2Å; L120-D122 VanDerWaalsContact C-N 3.3Å; L120-D122 PolarHBondContact O-N 2.79Å; D122-S124 PolarHBondContact O-N 2.94Å; D122-S125 PolarHBondContact O-N 2.95Å; D122-S125 PolarHBondContact O-OG 3.23Å; D122-R126 WeakPolarHBondContact O-CG 3.45Å; D122-R126 PolarHBondContact O-N 2.98Å; D122-R126 IonicContact OD1-NE 3.2Å; D122-R126 IonicContact OD1-NH2 3.42Å; D122-R126 IonicContact OD2-CZ 3.93Å; D122-R126 VanDerWaalsContact OD2-CZ 3.22Å; D122-R126 IonicContact OD2-NE 2.7Å; D122-R126 PolarHBondContact OD2-NE 3.26Å; D122-R126 VanDerWaalsContact OD2-NE 3.09Å; D122-R126 IonicContact OD2-NH2 3.99Å; D122-R126 PolarHBondContact OD2-NH2 3.07Å
123L97.4Very high96.1Very high4 Ų473 Ų732%0.02137%0.366CS..Hα-helixtrans-62.9-42.2179-70.1175.5000112.2F98 V119 L120 S125 R126 V134 V136 C192 Y194F98-L123 HydrophobicContact CE1-CD2 4.15Å; F98-L123 HydrophobicContact CE1-CG 4.17Å; F98-L123 HydrophobicContact CZ-CD2 4.2Å; F98-L123 HydrophobicContact CZ-CG 4.41Å; V119-L123 HydrophobicContact CG1-CD1 3.82Å; V119-L123 HydrophobicContact CG1-CG 4.35Å; V119-L123 WeakPolarHBondContact O-CB 3.47Å; V119-L123 WeakPolarHBondContact O-CG 3.34Å; V119-L123 PolarHBondContact O-N 2.85Å; L120-L123 PolarHBondContact O-N 3.08Å; L123-S125 VanDerWaalsContact C-N 3.3Å; L123-S125 PolarHBondContact O-N 2.78Å; L123-R126 PolarHBondContact O-N 2.9Å; L123-V134 HydrophobicContact CD1-CG1 4.22Å; L123-V136 HydrophobicContact CD1-CG2 3.96Å; L123-C192 HydrophobicContact CB-CB 4.09Å; L123-C192 HydrophobicContact CD1-CB 3.76Å; L123-Y194 HydrophobicContact CD2-CD1 4.38Å; L123-Y194 HydrophobicContact CD2-CE1 3.86Å
124S95.5Very high96Very high86 Ų8667.8 Ų67.860%0.60134%0.342SS*.Hα-helixtrans-69.6-24.9177.9610000113.9L120 E121 D122 R126L120-S124 VanDerWaalsContact O-CB 3.28Å; L120-S124 WeakPolarHBondContact O-CB 3.15Å; L120-S124 PolarHBondContact O-N 2.87Å; L120-S124 PolarHBondContact O-OG 3.22Å; E121-S124 PolarHBondContact O-OG 3.08Å; E121-S124 VanDerWaalsContact O-OG 3.06Å; D122-S124 PolarHBondContact O-N 2.94Å; S124-R126 VanDerWaalsContact C-N 3.35Å
125S96.1Very high95.9Very high89 Ų8960.6 Ų60.662%0.62232%0.315SS*.Hα-helixtrans-79.6-15.7175.976.50000114E121 D122 L123E121-S125 VanDerWaalsContact O-CB 3.28Å; E121-S125 WeakPolarHBondContact O-CB 3.23Å; E121-S125 PolarHBondContact O-N 3.27Å; E121-S125 PolarHBondContact O-OG 2.77Å; D122-S125 PolarHBondContact O-N 2.95Å; D122-S125 PolarHBondContact O-OG 3.23Å; L123-S125 VanDerWaalsContact C-N 3.3Å; L123-S125 PolarHBondContact O-N 2.78Å
126R94.9Very high95.9Very high40 Ų4060.6 Ų60.615%0.15132%0.315CS..SBendtrans-77.8145.7177.2-67166.5-172.1-1421.8109.5F98 C101 D122 L123 S124 Q128F98-R126 PolarHBondContact O-NH2 3.34Å; C101-R126 PolarHBondContact O-NH1 3.4Å; C101-R126 PolarHBondContact O-NH2 3.24Å; D122-R126 WeakPolarHBondContact O-CG 3.45Å; D122-R126 PolarHBondContact O-N 2.98Å; D122-R126 IonicContact OD1-NE 3.2Å; D122-R126 IonicContact OD1-NH2 3.42Å; D122-R126 IonicContact OD2-CZ 3.93Å; D122-R126 VanDerWaalsContact OD2-CZ 3.22Å; D122-R126 IonicContact OD2-NE 2.7Å; D122-R126 PolarHBondContact OD2-NE 3.26Å; D122-R126 VanDerWaalsContact OD2-NE 3.09Å; D122-R126 IonicContact OD2-NH2 3.99Å; D122-R126 PolarHBondContact OD2-NH2 3.07Å; L123-R126 PolarHBondContact O-N 2.9Å; S124-R126 VanDerWaalsContact C-N 3.35Å; R126-Q128 PolarHBondContact O-N 3.24Å
127E92.1Very high95.9Very high163 Ų16359.8 Ų59.876%0.76231%0.312SS*.  trans-67.1130.6168.3-172.3170.8-174.400108.9E129E127-E129 PolarHBondContact O-N 2.87Å
128Q91.8Very high95.9Very high81 Ų8155.7 Ų55.738%0.37929%0.29SS..  trans-80.8104.9179.7-66177.2-400109R126 F131 F193 Y194R126-Q128 PolarHBondContact O-N 3.24Å; Q128-F131 HydrophobicContact CB-CD1 4.23Å; Q128-F131 HydrophobicContact CB-CE1 3.88Å; Q128-F131 HydrophobicContact CB-CZ 4.09Å; Q128-F131 WeakPolarHBondContact O-CE2 3.4Å; Q128-F193 HydrophobicContact CG-CB 4.37Å; Q128-Y194 WeakPolarHBondContact CA-OXT 3.28Å
129E89.9Confident95.8Very high155 Ų15553.7 Ų53.772%0.72428%0.281SS*.SBendtrans-95-39.8-175.4-69-177.2-167.800112E127 Y194E127-E129 PolarHBondContact O-N 2.87Å; E129-Y194 PolarHBondContact N-O 3.37Å; E129-Y194 PolarHBondContact N-OXT 3.22Å
130T92.8Very high95.8Very high65 Ų6557.6 Ų57.640%0.39930%0.302SS..SBendtrans-105.4-19.7-170.761.20000113.4Q104 T132 Y194Q104-T130 PolarHBondContact NE2-OG1 3.33Å; Q104-T130 VanDerWaalsContact NE2-OG1 3.15Å; T130-T132 PolarHBondContact O-N 3.25Å; T130-T132 VanDerWaalsContact O-N 3.11Å; T130-T132 PolarHBondContact OG1-N 3.35Å; T130-T132 PolarHBondContact OG1-OG1 2.97Å; T130-Y194 CarbonylContact C-O 3.55Å; T130-Y194 WeakPolarHBondContact CA-O 3.24Å; T130-Y194 PolarHBondContact N-O 2.86Å; T130-Y194 WeakPolarHBondContact OG1-CB 3.46Å; T130-Y194 PolarHBondContact OG1-O 3.04Å
131F92.5Very high95.7Very high131 Ų13156.2 Ų56.258%0.57530%0.295SS*.  trans53.324.8-171.7-60.9-89.5000113Q128 Y194Q128-F131 HydrophobicContact CB-CD1 4.23Å; Q128-F131 HydrophobicContact CB-CE1 3.88Å; Q128-F131 HydrophobicContact CB-CZ 4.09Å; Q128-F131 WeakPolarHBondContact O-CE2 3.4Å; F131-Y194 PolarHBondContact N-O 3.43Å
132T94.1Very high95.7Very high58 Ų5856 Ų5636%0.35629%0.294SS..  trans-78.8126.2176.4-59.10000108.3T130 F193 Y194T130-T132 PolarHBondContact O-N 3.25Å; T130-T132 VanDerWaalsContact O-N 3.11Å; T130-T132 PolarHBondContact OG1-N 3.35Å; T130-T132 PolarHBondContact OG1-OG1 2.97Å; T132-F193 WeakPolarHBondContact O-CA 3.43Å; T132-Y194 PolarHBondContact O-N 3.47Å
133P94.8Very high95.6Very high43 Ų4359.7 Ų59.728%0.27931%0.313SS..EExtended strand (participates in β ladder)trans-69149.3-17928.8-34.4000111.3V191 C192 F193P133-V191 HydrophobicContact CB-CG1 3.84Å; P133-C192 CarbonylContact C-O 3.59Å; P133-C192 WeakPolarHBondContact CA-O 3.34Å; P133-F193 HydrophobicContact CB-CD1 4.2Å; P133-F193 HydrophobicContact CB-CE1 3.94Å
134V96.7Very high95.5Very high0 Ų062.2 Ų62.20%033%0.327CS..EExtended strand (participates in β ladder)trans-135.4127.716855.30000109.5F105 V108 L123 V191 C192 Y194F105-V134 WeakPolarHBondContact O-CB 3.3Å; F105-V134 WeakPolarHBondContact O-CG2 3.49Å; V108-V134 HydrophobicContact CG2-CG2 3.65Å; L123-V134 HydrophobicContact CD1-CG1 4.22Å; V134-V191 WeakPolarHBondContact O-CA 3.27Å; V134-C192 HydrophobicContact CG1-CB 3.78Å; V134-C192 PolarHBondContact N-O 3.48Å; V134-C192 PolarHBondContact O-N 3.39Å; V134-Y194 HydrophobicContact CB-CD2 4.3Å; V134-Y194 HydrophobicContact CB-CE2 3.58Å; V134-Y194 HydrophobicContact CG1-CD2 4.28Å; V134-Y194 HydrophobicContact CG1-CE1 4.39Å; V134-Y194 HydrophobicContact CG1-CE2 3.79Å; V134-Y194 HydrophobicContact CG2-CE2 4.14Å
135H97.6Very high95.5Very high13 Ų1362 Ų626%0.0632%0.316CS..EExtended strand (participates in β ladder)trans-79.2130.4174.2-69-92.8000109.6D106 L107 V108 M172 H189D106-H135 PolarHBondContact O-N 3.27Å; D106-H135 VanDerWaalsContact O-N 3.1Å; L107-H135 CarbonylContact C-O 3.53Å; L107-H135 WeakPolarHBondContact CA-O 3.44Å; L107-H135 HydrophobicContact CD1-CB 3.86Å; V108-H135 PolarHBondContact N-O 2.85Å; H135-M172 HydrophobicContact CB-CE 4.28Å; H135-H189 AromaticContact CE1-NE2 3.87Å; H135-H189 AromaticContact CG-NE2 3.91Å; H135-H189 AromaticContact ND1-CE1 3.73Å; H135-H189 AromaticContact ND1-NE2 2.93Å; H135-H189 PolarHBondContact ND1-NE2 3.13Å
136V98.4Very high95.5Very high0 Ų065 Ų650%032%0.32CS..EExtended strand (participates in β ladder)trans-115.3119.7174.4-168.90000108.2V108 T110 Y116 V119 L120 L123 H189 T190 C192V108-V136 HydrophobicContact CB-CG1 4.36Å; V108-V136 HydrophobicContact CB-CG2 4.34Å; V108-V136 HydrophobicContact CG1-CG1 4.39Å; V108-V136 CarbonylContact O-C 3.57Å; V108-V136 VanDerWaalsContact O-CA 3.3Å; V108-V136 WeakPolarHBondContact O-CA 3.38Å; T110-V136 HydrophobicContact CG2-CG1 4.36Å; Y116-V136 HydrophobicContact CD2-CG1 3.78Å; Y116-V136 HydrophobicContact CE2-CB 4.15Å; Y116-V136 HydrophobicContact CE2-CG1 3.69Å; V119-V136 HydrophobicContact CG1-CG1 3.91Å; V119-V136 HydrophobicContact CG1-CG2 4.46Å; L120-V136 HydrophobicContact CD2-CB 3.99Å; L120-V136 HydrophobicContact CD2-CG1 3.95Å; L120-V136 HydrophobicContact CD2-CG2 4.02Å; L123-V136 HydrophobicContact CD1-CG2 3.96Å; V136-H189 WeakPolarHBondContact O-CA 3.46Å; V136-T190 HydrophobicContact CB-CG2 4.17Å; V136-T190 PolarHBondContact N-O 3.26Å; V136-T190 PolarHBondContact O-N 2.93Å; V136-C192 HydrophobicContact CG2-CB 4.42Å
137I98.4Very high95.7Very high0 Ų065 Ų650%032%0.322CS..EExtended strand (participates in β ladder)trans-123.2128.8-176.6-55.5179.1000109.8L107 V108 I109 T110 L158 I162 M172 L176 F187 L188L107-I137 HydrophobicContact CD1-CD1 3.53Å; L107-I137 HydrophobicContact CD1-CG1 3.85Å; V108-I137 PolarHBondContact O-N 3.42Å; I109-I137 CarbonylContact C-O 3.49Å; I109-I137 VanDerWaalsContact CA-O 3.28Å; I109-I137 WeakPolarHBondContact CA-O 3.26Å; T110-I137 PolarHBondContact N-O 2.7Å; I137-L158 HydrophobicContact CD1-CD2 4.48Å; I137-L158 HydrophobicContact CG2-CD2 4.25Å; I137-I162 HydrophobicContact CD1-CD1 4.21Å; I137-M172 HydrophobicContact CD1-CE 4.34Å; I137-M172 HydrophobicContact CD1-SD 3.72Å; I137-L176 HydrophobicContact CD1-CD1 4.22Å; I137-L176 HydrophobicContact CD1-CD2 4.12Å; I137-L176 HydrophobicContact CG2-CD2 4.17Å; I137-F187 HydrophobicContact CG2-CB 4.32Å; I137-F187 HydrophobicContact CG2-CD1 4.12Å; I137-L188 CarbonylContact C-O 3.58Å; I137-L188 WeakPolarHBondContact CA-O 3.17Å
138N98.6Very high96Very high3 Ų357.3 Ų57.32%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-94.1132.4172.3-171.161.5000111.7T110 E112 E113 Y116 D140 L188T110-N138 PolarHBondContact O-OD1 3.46Å; T110-N138 VanDerWaalsContact OG1-CA 3.31Å; T110-N138 WeakPolarHBondContact OG1-CA 3.33Å; T110-N138 WeakPolarHBondContact OG1-CB 3.11Å; T110-N138 PolarHBondContact OG1-OD1 2.99Å; E112-N138 WeakPolarHBondContact CA-OD1 3.42Å; E112-N138 PolarHBondContact N-OD1 2.91Å; E112-N138 PolarHBondContact O-OD1 3.31Å; E112-N138 VanDerWaalsContact O-OD1 3.1Å; E113-N138 PolarHBondContact N-ND2 3.12Å; E113-N138 PolarHBondContact N-OD1 3.05Å; Y116-N138 HydrophobicContact CD2-CB 3.73Å; Y116-N138 HydrophobicContact CE2-CB 4.35Å; Y116-N138 HydrophobicContact CG-CB 3.98Å; N138-D140 PolarHBondContact ND2-OD1 2.87Å; N138-L188 HydrophobicContact CB-CB 3.79Å; N138-L188 HydrophobicContact CB-CD1 4.14Å; N138-L188 HydrophobicContact CB-CG 4.12Å; N138-L188 PolarHBondContact N-O 2.95Å
139V97.4Very high96.3Very high2 Ų255.9 Ų55.91%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-123109.2168.4-169.20000107.5I109 T110 C111 I141 L154 I155 F187I109-V139 HydrophobicContact CG2-CG2 3.9Å; T110-V139 PolarHBondContact O-N 2.89Å; C111-V139 CarbonylContact C-O 3.51Å; C111-V139 VanDerWaalsContact CA-O 3.24Å; C111-V139 WeakPolarHBondContact CA-O 3.45Å; V139-I141 HydrophobicContact CB-CD1 4.4Å; V139-I141 HydrophobicContact CB-CG1 4.47Å; V139-I141 HydrophobicContact CG1-CD1 4.28Å; V139-I141 HydrophobicContact CG1-CG1 4.09Å; V139-I141 WeakPolarHBondContact O-CG1 3.3Å; V139-I141 PolarHBondContact O-N 2.65Å; V139-I141 VanDerWaalsContact O-N 3.12Å; V139-L154 HydrophobicContact CG1-CD2 3.86Å; V139-I155 HydrophobicContact CG2-CG1 4.21Å; V139-F187 HydrophobicContact CB-CE1 4.29Å; V139-F187 HydrophobicContact CG1-CE1 3.95Å; V139-F187 HydrophobicContact CG2-CD1 3.79Å; V139-F187 HydrophobicContact CG2-CE1 3.64Å
140D96.9Very high96.6Very high82 Ų8253.1 Ų53.144%0.43927%0.273SS..  trans-68.2114.4178.2-84.8-11.5000110.7E112 E113 N138E112-D140 VanDerWaalsContact CA-OD1 3.3Å; E112-D140 WeakPolarHBondContact CA-OD1 3.49Å; E113-D140 PolarHBondContact N-OD1 2.8Å; E113-D140 VanDerWaalsContact N-OD1 3.15Å; N138-D140 PolarHBondContact ND2-OD1 2.87Å
141I97.4Very high96.8Very high8 Ų850 Ų504%0.04125%0.254CS..  trans-125.7121.2-179.5-60.2164.7000108R18 C111 V139 E147 I155R18-I141 WeakPolarHBondContact CD-O 3.32Å; R18-I141 HydrophobicContact CG-CB 4.38Å; R18-I141 HydrophobicContact CG-CG2 3.82Å; R18-I141 PolarHBondContact NH1-O 3.43Å; C111-I141 HydrophobicContact CB-CB 4.46Å; C111-I141 HydrophobicContact CB-CD1 4.32Å; C111-I141 PolarHBondContact O-N 3.45Å; V139-I141 HydrophobicContact CB-CD1 4.4Å; V139-I141 HydrophobicContact CB-CG1 4.47Å; V139-I141 HydrophobicContact CG1-CD1 4.28Å; V139-I141 HydrophobicContact CG1-CG1 4.09Å; V139-I141 WeakPolarHBondContact O-CG1 3.3Å; V139-I141 PolarHBondContact O-N 2.65Å; V139-I141 VanDerWaalsContact O-N 3.12Å; I141-E147 HydrophobicContact CG2-CB 4.48Å; I141-E147 WeakPolarHBondContact CG2-O 3.4Å; I141-I155 HydrophobicContact CD1-CD1 3.65Å; I141-I155 HydrophobicContact CD1-CG1 4.41Å
142Q97.3Very high97.1Very high132 Ų13243.9 Ų43.962%0.61723%0.227SC*.  trans-64142.9176.4-56.9-174.37.700110.8N144 E147Q142-N144 VanDerWaalsContact C-N 3.25Å; Q142-N144 PolarHBondContact O-N 3.45Å; Q142-E147 HydrophobicContact CB-CB 3.95Å; Q142-E147 HydrophobicContact CB-CG 3.95Å; Q142-E147 HydrophobicContact CG-CG 4.35Å
143D96Very high97.2Very high98 Ų9846.1 Ų46.152%0.52423%0.232SC..SBendtrans-84.664-173.7-152.4-1.6000113.1N17 R18N17-D143 WeakPolarHBondContact CB-OD1 3.26Å; N17-D143 PolarHBondContact ND2-OD1 3.44Å; R18-D143 IonicContact CZ-OD2 2.65Å; R18-D143 IonicContact NE-OD1 2.79Å; R18-D143 PolarHBondContact NE-OD1 3.14Å; R18-D143 IonicContact NE-OD2 3.57Å; R18-D143 PolarHBondContact NE-OD2 3.46Å; R18-D143 IonicContact NH2-OD2 3.94Å; R18-D143 PolarHBondContact NH2-OD2 3.49Å
144N96.7Very high97.3Very high58 Ų5845.1 Ų45.131%0.3122%0.224SC..SBendtrans-134.5170.7169.470.167.1000109.9N17 Q142 E146 E147 A148N17-N144 PolarHBondContact ND2-O 3.01Å; N17-N144 VanDerWaalsContact ND2-O 3.08Å; Q142-N144 VanDerWaalsContact C-N 3.25Å; Q142-N144 PolarHBondContact O-N 3.45Å; N144-E146 PolarHBondContact OD1-N 3.33Å; N144-E146 VanDerWaalsContact OD1-N 3.11Å; N144-E147 WeakPolarHBondContact ND2-CG 3.46Å; N144-E147 PolarHBondContact OD1-N 3.15Å; N144-A148 WeakPolarHBondContact O-CB 3.35Å; N144-A148 PolarHBondContact O-N 3.06Å
145H94.9Very high97.3Very high80 Ų8045.1 Ų45.137%0.3722%0.224SC..Hα-helixtrans-69.4-37.8-173-61.6-75.7000113.4N79 M84 T149N79-H145 PolarHBondContact O-NE2 2.8Å; M84-H145 WeakPolarHBondContact CE-CE1 3.39Å; H145-T149 PolarHBondContact O-N 3.09Å; H145-T149 PolarHBondContact O-OG1 3.1Å
146E97.3Very high97.3Very high153 Ų15344.7 Ų44.772%0.71522%0.223SC*.Hα-helixtrans-70.5-51.5-176.9-65.7177.7-177.300110.3N144 A148 T149 L150N144-E146 PolarHBondContact OD1-N 3.33Å; N144-E146 VanDerWaalsContact OD1-N 3.11Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 2.65Å; E146-T149 WeakPolarHBondContact O-CB 3.29Å; E146-T149 PolarHBondContact O-N 3.03Å; E146-L150 PolarHBondContact O-N 2.86Å
147E97.8Very high97.1Very high41 Ų4149.7 Ų49.719%0.19225%0.246CC..Hα-helixtrans-65.9-34.4177.6-71.8-64.3134.100112I141 Q142 N144 T149 L150 G151 R185I141-E147 HydrophobicContact CG2-CB 4.48Å; I141-E147 WeakPolarHBondContact CG2-O 3.4Å; Q142-E147 HydrophobicContact CB-CB 3.95Å; Q142-E147 HydrophobicContact CB-CG 3.95Å; Q142-E147 HydrophobicContact CG-CG 4.35Å; N144-E147 WeakPolarHBondContact ND2-CG 3.46Å; N144-E147 PolarHBondContact OD1-N 3.15Å; E147-T149 VanDerWaalsContact C-N 3.25Å; E147-T149 PolarHBondContact O-N 2.82Å; E147-L150 PolarHBondContact O-N 2.98Å; E147-G151 PolarHBondContact O-N 3Å; E147-R185 IonicContact OE2-NH2 3.49Å; E147-R185 PolarHBondContact OE2-NH2 2.93Å
148A98.1Very high97Very high1 Ų149.7 Ų49.71%0.00825%0.246CC..Hα-helixtrans-60.7-36.617200000112.2N17 R18 E21 N144 E146 A152N17-A148 WeakPolarHBondContact OD1-CB 3.24Å; R18-A148 HydrophobicContact CG-CB 4.06Å; E21-A148 HydrophobicContact CB-CB 4.4Å; N144-A148 WeakPolarHBondContact O-CB 3.35Å; N144-A148 PolarHBondContact O-N 3.06Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 2.65Å; A148-A152 WeakPolarHBondContact O-CB 3.33Å; A148-A152 PolarHBondContact O-N 2.87Å
149T98.1Very high96.8Very high51 Ų5149.5 Ų49.531%0.31325%0.245SC..Hα-helixtrans-71.4-47.2177.7-57.30000111.1H145 E146 E147 A152 F153H145-T149 PolarHBondContact O-N 3.09Å; H145-T149 PolarHBondContact O-OG1 3.1Å; E146-T149 WeakPolarHBondContact O-CB 3.29Å; E146-T149 PolarHBondContact O-N 3.03Å; E147-T149 VanDerWaalsContact C-N 3.25Å; E147-T149 PolarHBondContact O-N 2.82Å; T149-A152 PolarHBondContact O-N 2.79Å; T149-F153 HydrophobicContact CG2-CD2 4.11Å; T149-F153 HydrophobicContact CG2-CE2 3.69Å; T149-F153 WeakPolarHBondContact O-CD2 3.22Å; T149-F153 PolarHBondContact O-N 2.67Å; T149-F153 VanDerWaalsContact O-N 3.12Å
150L96.9Very high96.7Very high97 Ų9752.5 Ų52.551%0.50826%0.259SS..Hα-helixtrans-61-45.7176.4-67.3175.7000111.5E146 E147 A152 F153 L154E146-L150 PolarHBondContact O-N 2.86Å; E147-L150 PolarHBondContact O-N 2.98Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.48Å; L150-F153 PolarHBondContact O-N 3.03Å; L150-L154 PolarHBondContact O-N 3.17Å
151G97Very high96.4Very high0 Ų050.9 Ų50.90%025%0.254CS..Hα-helixtrans-61.5-38.6175.600000112.7E147 F153 L154 I155E147-G151 PolarHBondContact O-N 3Å; G151-F153 VanDerWaalsContact C-N 3.33Å; G151-F153 PolarHBondContact O-N 3.44Å; G151-L154 PolarHBondContact O-N 3.48Å; G151-I155 WeakPolarHBondContact O-CB 3.44Å; G151-I155 VanDerWaalsContact O-CG1 3.26Å; G151-I155 WeakPolarHBondContact O-CG1 3.32Å; G151-I155 PolarHBondContact O-N 2.84Å
152A98.1Very high96.2Very high1 Ų150.6 Ų50.61%0.00825%0.252CS..Hα-helixtrans-64.5-35.5175.700000112.8E21 A22 I25 A148 T149 L150 C156E21-A152 HydrophobicContact CB-CB 4.24Å; E21-A152 HydrophobicContact CG-CB 3.93Å; A22-A152 HydrophobicContact CB-CB 4.12Å; I25-A152 HydrophobicContact CD1-CB 3.52Å; I25-A152 HydrophobicContact CG1-CB 4.19Å; A148-A152 WeakPolarHBondContact O-CB 3.33Å; A148-A152 PolarHBondContact O-N 2.87Å; T149-A152 PolarHBondContact O-N 2.79Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.48Å; A152-C156 WeakPolarHBondContact O-CB 3.2Å; A152-C156 PolarHBondContact O-N 3.33Å
153F97.3Very high95.9Very high106 Ų10647 Ų4747%0.46524%0.235SC..Hα-helixtrans-68.8-44.4172.4-75.4-63.5000112.2I25 T149 L150 G151 I155 C156 E157I25-F153 HydrophobicContact CD1-CD1 3.98Å; I25-F153 HydrophobicContact CD1-CD2 4.29Å; I25-F153 HydrophobicContact CD1-CE1 3.88Å; I25-F153 HydrophobicContact CD1-CE2 4.2Å; I25-F153 HydrophobicContact CD1-CG 4.19Å; I25-F153 HydrophobicContact CD1-CZ 3.99Å; T149-F153 HydrophobicContact CG2-CD2 4.11Å; T149-F153 HydrophobicContact CG2-CE2 3.69Å; T149-F153 WeakPolarHBondContact O-CD2 3.22Å; T149-F153 PolarHBondContact O-N 2.67Å; T149-F153 VanDerWaalsContact O-N 3.12Å; L150-F153 PolarHBondContact O-N 3.03Å; G151-F153 VanDerWaalsContact C-N 3.33Å; G151-F153 PolarHBondContact O-N 3.44Å; F153-I155 PolarHBondContact O-N 3.35Å; F153-C156 WeakPolarHBondContact O-CB 3.45Å; F153-C156 PolarHBondContact O-N 2.78Å; F153-C156 VanDerWaalsContact O-N 3.14Å; F153-E157 PolarHBondContact O-N 3.1Å
154L96.1Very high95.6Very high21 Ų2149.4 Ų49.411%0.1124%0.243CC..Hα-helixtrans-59.9-45.5176.5-179.262000111.6V139 L150 G151 C156 E157 L158 F179 F187V139-L154 HydrophobicContact CG1-CD2 3.86Å; L150-L154 PolarHBondContact O-N 3.17Å; G151-L154 PolarHBondContact O-N 3.48Å; L154-C156 VanDerWaalsContact C-N 3.3Å; L154-C156 PolarHBondContact O-N 3.41Å; L154-E157 PolarHBondContact O-N 3.1Å; L154-L158 WeakPolarHBondContact O-CB 3.22Å; L154-L158 PolarHBondContact O-N 3.26Å; L154-F179 HydrophobicContact CD1-CD1 4.1Å; L154-F179 HydrophobicContact CD1-CE1 4.3Å; L154-F187 HydrophobicContact CD1-CZ 4.45Å; L154-F187 HydrophobicContact CD2-CE1 4.46Å; L154-F187 HydrophobicContact CD2-CZ 4.1Å; L154-F187 HydrophobicContact CG-CZ 4.42Å
155I97.4Very high95.1Very high0 Ų047.7 Ų47.70%024%0.235CC..Hα-helixtrans-58.2-44.1173.9-74.5174.6000110.9V10 A22 L26 I109 V139 I141 G151 F153 L158 C159V10-I155 HydrophobicContact CG1-CD1 4.15Å; V10-I155 HydrophobicContact CG2-CG2 4.45Å; A22-I155 HydrophobicContact CB-CD1 4.09Å; A22-I155 HydrophobicContact CB-CG2 4.38Å; L26-I155 HydrophobicContact CD1-CG2 3.94Å; L26-I155 HydrophobicContact CG-CG2 4.47Å; I109-I155 HydrophobicContact CD1-CG2 3.66Å; I109-I155 HydrophobicContact CG2-CD1 3.72Å; I109-I155 HydrophobicContact CG2-CG1 3.91Å; V139-I155 HydrophobicContact CG2-CG1 4.21Å; I141-I155 HydrophobicContact CD1-CD1 3.65Å; I141-I155 HydrophobicContact CD1-CG1 4.41Å; G151-I155 WeakPolarHBondContact O-CB 3.44Å; G151-I155 VanDerWaalsContact O-CG1 3.26Å; G151-I155 WeakPolarHBondContact O-CG1 3.32Å; G151-I155 PolarHBondContact O-N 2.84Å; F153-I155 PolarHBondContact O-N 3.35Å; I155-L158 PolarHBondContact O-N 3.17Å; I155-C159 WeakPolarHBondContact O-CB 3.42Å; I155-C159 PolarHBondContact O-N 3.42Å; I155-C159 PolarHBondContact O-SG 2.99Å
156C97.2Very high94.5Very high5 Ų551.6 Ų51.63%0.03426%0.258CS..Hα-helixtrans-63.9-41.4178.8-176.40000112.4I25 L26 A152 F153 L154 Q160I25-C156 HydrophobicContact CG2-CB 3.86Å; L26-C156 HydrophobicContact CD2-CB 4.18Å; A152-C156 WeakPolarHBondContact O-CB 3.2Å; A152-C156 PolarHBondContact O-N 3.33Å; F153-C156 WeakPolarHBondContact O-CB 3.45Å; F153-C156 PolarHBondContact O-N 2.78Å; F153-C156 VanDerWaalsContact O-N 3.14Å; L154-C156 VanDerWaalsContact C-N 3.3Å; L154-C156 PolarHBondContact O-N 3.41Å; C156-Q160 WeakPolarHBondContact O-CB 3.31Å; C156-Q160 VanDerWaalsContact O-CG 3.23Å; C156-Q160 WeakPolarHBondContact O-CG 3.43Å; C156-Q160 PolarHBondContact O-N 2.89Å
157E95.4Very high93.9Very high104 Ų10447.4 Ų47.449%0.48624%0.241SC..Hα-helixtrans-64.5-44.7176.7-168.1178.8-177.800110.8F153 L154 C159 Q160 C161 F179F153-E157 PolarHBondContact O-N 3.1Å; L154-E157 PolarHBondContact O-N 3.1Å; E157-C159 PolarHBondContact O-N 3.02Å; E157-Q160 WeakPolarHBondContact O-CB 3.39Å; E157-Q160 PolarHBondContact O-N 3.47Å; E157-Q160 VanDerWaalsContact O-N 3.17Å; E157-C161 PolarHBondContact O-N 3.15Å; E157-C161 PolarHBondContact O-SG 2.85Å; E157-F179 HydrophobicContact CB-CE1 4.2Å; E157-F179 HydrophobicContact CB-CZ 4.43Å; E157-F179 HydrophobicContact CG-CE1 3.97Å; E157-F179 HydrophobicContact CG-CZ 3.93Å
158L94.9Very high93.3Very high0 Ų047.6 Ų47.60%024%0.243CC..Hα-helixtrans-57.9-50.7175179.762.2000111.7I137 L154 I155 Q160 C161 I162 L175 L176 F179 F187I137-L158 HydrophobicContact CD1-CD2 4.48Å; I137-L158 HydrophobicContact CG2-CD2 4.25Å; L154-L158 WeakPolarHBondContact O-CB 3.22Å; L154-L158 PolarHBondContact O-N 3.26Å; I155-L158 PolarHBondContact O-N 3.17Å; L158-Q160 VanDerWaalsContact C-N 3.27Å; L158-Q160 PolarHBondContact O-N 3.39Å; L158-C161 PolarHBondContact O-N 3.49Å; L158-I162 HydrophobicContact CD1-CD1 3.9Å; L158-I162 HydrophobicContact CD1-CG1 4.33Å; L158-I162 HydrophobicContact CG-CD1 3.84Å; L158-I162 WeakPolarHBondContact O-CG1 3.2Å; L158-I162 PolarHBondContact O-N 2.81Å; L158-L175 HydrophobicContact CD1-CD2 3.47Å; L158-L175 VanDerWaalsContact CD1-CD2 3.47Å; L158-L176 HydrophobicContact CD1-CD2 3.91Å; L158-L176 HydrophobicContact CD2-CD2 4.41Å; L158-F179 HydrophobicContact CB-CE1 4.15Å; L158-F179 HydrophobicContact CB-CZ 4.37Å; L158-F179 HydrophobicContact CD1-CD1 4.42Å; L158-F179 HydrophobicContact CD1-CD2 4.19Å; L158-F179 HydrophobicContact CD1-CE1 4.49Å; L158-F179 HydrophobicContact CD1-CE2 4.26Å; L158-F179 HydrophobicContact CD1-CG 4.26Å; L158-F179 HydrophobicContact CD1-CZ 4.4Å; L158-F187 HydrophobicContact CD2-CE1 4.33Å
159C95.4Very high92.5Very high0 Ų053.9 Ų53.90%027%0.272CS..Hα-helixtrans-60.8-36.1177-68.30000112.3L6 L26 F31 I109 I155 E157 Q163L6-C159 HydrophobicContact CD2-CB 4.45Å; L26-C159 HydrophobicContact CD2-CB 3.94Å; F31-C159 HydrophobicContact CD1-CB 4.28Å; F31-C159 HydrophobicContact CE1-CB 3.61Å; F31-C159 HydrophobicContact CE2-CB 4.34Å; F31-C159 HydrophobicContact CZ-CB 3.66Å; I109-C159 VanDerWaalsContact CD1-SG 3.52Å; I155-C159 WeakPolarHBondContact O-CB 3.42Å; I155-C159 PolarHBondContact O-N 3.42Å; I155-C159 PolarHBondContact O-SG 2.99Å; E157-C159 PolarHBondContact O-N 3.02Å; C159-Q163 VanDerWaalsContact O-CB 3.27Å; C159-Q163 WeakPolarHBondContact O-CB 3.31Å; C159-Q163 PolarHBondContact O-N 3.38Å
160Q93.9Very high91.9Very high65 Ų6557.5 Ų57.530%0.30429%0.289SS..Hα-helixtrans-65.5-48.5175.3-77.1171.9-6.100110.8F31 C156 E157 L158 I162 Q163 H164F31-Q160 HydrophobicContact CE2-CG 3.96Å; F31-Q160 HydrophobicContact CZ-CB 4.49Å; F31-Q160 HydrophobicContact CZ-CG 3.74Å; C156-Q160 WeakPolarHBondContact O-CB 3.31Å; C156-Q160 VanDerWaalsContact O-CG 3.23Å; C156-Q160 WeakPolarHBondContact O-CG 3.43Å; C156-Q160 PolarHBondContact O-N 2.89Å; E157-Q160 WeakPolarHBondContact O-CB 3.39Å; E157-Q160 PolarHBondContact O-N 3.47Å; E157-Q160 VanDerWaalsContact O-N 3.17Å; L158-Q160 VanDerWaalsContact C-N 3.27Å; L158-Q160 PolarHBondContact O-N 3.39Å; Q160-I162 PolarHBondContact O-N 2.87Å; Q160-Q163 PolarHBondContact O-N 3.42Å; Q160-H164 PolarHBondContact O-N 3.31Å; Q160-H164 PolarHBondContact O-ND1 3.28Å
161C92.3Very high91.6Very high48 Ų4856.4 Ų56.432%0.32428%0.281SS..Hα-helixtrans-59-47.5178.1-70.40000111.3E157 L158 Q163 H164 T165 L175 F179E157-C161 PolarHBondContact O-N 3.15Å; E157-C161 PolarHBondContact O-SG 2.85Å; L158-C161 PolarHBondContact O-N 3.49Å; C161-Q163 VanDerWaalsContact C-N 3.32Å; C161-Q163 PolarHBondContact O-N 3.09Å; C161-H164 PolarHBondContact O-N 3.01Å; C161-H164 VanDerWaalsContact O-N 3.07Å; C161-T165 PolarHBondContact O-N 3Å; C161-L175 HydrophobicContact CB-CD1 3.85Å; C161-L175 HydrophobicContact CB-CD2 4.28Å; C161-L175 HydrophobicContact CB-CG 4.32Å; C161-F179 HydrophobicContact CB-CE2 3.72Å; C161-F179 HydrophobicContact CB-CZ 3.98Å; C161-F179 VanDerWaalsContact SG-CZ 3.56Å
162I92.7Very high91.3Very high2 Ų256.6 Ų56.61%0.0128%0.282CS..Hα-helixtrans-60.4-39.7176.9-66.6166.5000111.6L6 L107 I137 L158 Q160 H164 T165 M168 M172 L175L6-I162 HydrophobicContact CD1-CG2 4.38Å; L6-I162 HydrophobicContact CD2-CG2 4.13Å; L107-I162 HydrophobicContact CD2-CD1 3.76Å; I137-I162 HydrophobicContact CD1-CD1 4.21Å; L158-I162 HydrophobicContact CD1-CD1 3.9Å; L158-I162 HydrophobicContact CD1-CG1 4.33Å; L158-I162 HydrophobicContact CG-CD1 3.84Å; L158-I162 WeakPolarHBondContact O-CG1 3.2Å; L158-I162 PolarHBondContact O-N 2.81Å; Q160-I162 PolarHBondContact O-N 2.87Å; I162-H164 PolarHBondContact O-N 3.4Å; I162-T165 PolarHBondContact O-N 2.82Å; I162-T165 PolarHBondContact O-OG1 3.05Å; I162-M168 HydrophobicContact CG2-CE 3.76Å; I162-M168 HydrophobicContact CG2-CG 3.96Å; I162-M168 HydrophobicContact CG2-SD 3.85Å; I162-M172 HydrophobicContact CD1-CE 3.94Å; I162-M172 HydrophobicContact CD1-SD 3.83Å; I162-M172 HydrophobicContact CG1-CE 4.18Å; I162-M172 HydrophobicContact CG1-SD 4.09Å; I162-M172 HydrophobicContact CG2-CE 4.16Å; I162-L175 HydrophobicContact CG1-CD1 4.08Å; I162-L175 HydrophobicContact CG1-CD2 4.1Å
163Q90.9Very high91Very high55 Ų5561.9 Ų61.926%0.25731%0.311SS..Hα-helixtrans-67.2-20178.8-178172.4-1.900113.3P2 F31 C159 Q160 C161P2-Q163 HydrophobicContact CG-CG 3.84Å; P2-Q163 WeakPolarHBondContact CG-O 2.9Å; F31-Q163 HydrophobicContact CE1-CB 4.33Å; C159-Q163 VanDerWaalsContact O-CB 3.27Å; C159-Q163 WeakPolarHBondContact O-CB 3.31Å; C159-Q163 PolarHBondContact O-N 3.38Å; Q160-Q163 PolarHBondContact O-N 3.42Å; C161-Q163 VanDerWaalsContact C-N 3.32Å; C161-Q163 PolarHBondContact O-N 3.09Å
164H89Confident90.8Very high149 Ų14963.3 Ų63.369%0.6932%0.318SS*.THydrogen-bonded Turntrans-94-4.7178.2-69.486.5000113.5Q160 C161 I162Q160-H164 PolarHBondContact O-N 3.31Å; Q160-H164 PolarHBondContact O-ND1 3.28Å; C161-H164 PolarHBondContact O-N 3.01Å; C161-H164 VanDerWaalsContact O-N 3.07Å; I162-H164 PolarHBondContact O-N 3.4Å
165T87.3Confident90.6Very high23 Ų2363.2 Ų63.214%0.14132%0.318CS..  trans-75.6142.4173.163.20000110.1C161 I162 E171 L175C161-T165 PolarHBondContact O-N 3Å; I162-T165 PolarHBondContact O-N 2.82Å; I162-T165 PolarHBondContact O-OG1 3.05Å; T165-E171 VanDerWaalsContact CB-OE2 3.22Å; T165-E171 WeakPolarHBondContact CB-OE2 3.3Å; T165-E171 HydrophobicContact CG2-CB 4.2Å; T165-E171 WeakPolarHBondContact CG2-OE2 3.45Å; T165-L175 HydrophobicContact CG2-CD1 3.71Å
166D81.9Confident90.5Very high161 Ų16163.6 Ų63.686%0.86132%0.32SS*.SBendtrans-82.8-26.7176.3-74.4-36.4000110.8
167D84.7Confident90.3Very high65 Ų6568 Ų6835%0.34834%0.34SS..  trans-134.189.4178.6-167.5-25.5000111.3E169 N170 E171D167-E169 VanDerWaalsContact C-N 3.29Å; D167-E169 PolarHBondContact O-N 3.3Å; D167-E169 PolarHBondContact OD1-N 3.44Å; D167-N170 HydrophobicContact CB-CB 4.48Å; D167-N170 VanDerWaalsContact CG-ND2 3.29Å; D167-N170 PolarHBondContact O-N 2.83Å; D167-N170 PolarHBondContact OD1-N 3.33Å; D167-N170 PolarHBondContact OD1-ND2 3.38Å; D167-N170 PolarHBondContact OD2-ND2 3.11Å; D167-E171 VanDerWaalsContact O-CB 3.29Å; D167-E171 WeakPolarHBondContact O-CB 3.44Å; D167-E171 WeakPolarHBondContact O-CG 3.3Å; D167-E171 PolarHBondContact O-N 3.02Å
168M84.1Confident90.1Very high46 Ų4667.4 Ų67.423%0.22734%0.337CS..Hα-helixtrans-59.5-37.7-179.4-175.3-174.6-41.100112.8L6 I162 N170 M172L6-M168 HydrophobicContact CD1-CE 3.41Å; L6-M168 VanDerWaalsContact CD1-CE 3.41Å; L6-M168 HydrophobicContact CD1-SD 4.44Å; I162-M168 HydrophobicContact CG2-CE 3.76Å; I162-M168 HydrophobicContact CG2-CG 3.96Å; I162-M168 HydrophobicContact CG2-SD 3.85Å; M168-N170 PolarHBondContact O-N 2.87Å; M168-M172 HydrophobicContact CG-CE 3.41Å; M168-M172 VanDerWaalsContact CG-CE 3.41Å; M168-M172 WeakPolarHBondContact O-CB 3.47Å; M168-M172 PolarHBondContact O-N 2.97Å; M168-M172 VanDerWaalsContact O-N 3.17Å; M168-M172 HydrophobicContact SD-CE 3.8Å
169E81.4Confident89.9Confident133 Ų13367.8 Ų67.862%0.62134%0.339SS*.Hα-helixtrans-68.4-37.1-174.5-66.9-174175.100111.7D167D167-E169 VanDerWaalsContact C-N 3.29Å; D167-E169 PolarHBondContact O-N 3.3Å; D167-E169 PolarHBondContact OD1-N 3.44Å
170N86Confident89.8Confident126 Ų12670.2 Ų70.267%0.67435%0.35SS*.Hα-helixtrans-88.5-27.8-179.2-71.2-52.7000113.7D167 M168D167-N170 HydrophobicContact CB-CB 4.48Å; D167-N170 VanDerWaalsContact CG-ND2 3.29Å; D167-N170 PolarHBondContact O-N 2.83Å; D167-N170 PolarHBondContact OD1-N 3.33Å; D167-N170 PolarHBondContact OD1-ND2 3.38Å; D167-N170 PolarHBondContact OD2-ND2 3.11Å; M168-N170 PolarHBondContact O-N 2.87Å
171E90.1Very high89.7Confident74 Ų7473 Ų7335%0.34637%0.367SS..Hα-helixtrans-95.7-10.7-174.4-64.3177.1-147.800113.9T165 D167 D173 E174 L175T165-E171 VanDerWaalsContact CB-OE2 3.22Å; T165-E171 WeakPolarHBondContact CB-OE2 3.3Å; T165-E171 HydrophobicContact CG2-CB 4.2Å; T165-E171 WeakPolarHBondContact CG2-OE2 3.45Å; D167-E171 VanDerWaalsContact O-CB 3.29Å; D167-E171 WeakPolarHBondContact O-CB 3.44Å; D167-E171 WeakPolarHBondContact O-CG 3.3Å; D167-E171 PolarHBondContact O-N 3.02Å; E171-D173 PolarHBondContact O-N 3.45Å; E171-E174 PolarHBondContact O-N 2.73Å; E171-L175 VanDerWaalsContact O-CB 3.31Å; E171-L175 WeakPolarHBondContact O-CB 3.4Å; E171-L175 PolarHBondContact O-N 2.78Å
172M91.8Very high89.5Confident4 Ų477.7 Ų77.72%0.0238%0.382CS..Hα-helixtrans-58-47.4-173.9-171.163.472.700113.2H135 I137 I162 M168 L175 L176H135-M172 HydrophobicContact CB-CE 4.28Å; I137-M172 HydrophobicContact CD1-CE 4.34Å; I137-M172 HydrophobicContact CD1-SD 3.72Å; I162-M172 HydrophobicContact CD1-CE 3.94Å; I162-M172 HydrophobicContact CD1-SD 3.83Å; I162-M172 HydrophobicContact CG1-CE 4.18Å; I162-M172 HydrophobicContact CG1-SD 4.09Å; I162-M172 HydrophobicContact CG2-CE 4.16Å; M168-M172 HydrophobicContact CG-CE 3.41Å; M168-M172 VanDerWaalsContact CG-CE 3.41Å; M168-M172 WeakPolarHBondContact O-CB 3.47Å; M168-M172 PolarHBondContact O-N 2.97Å; M168-M172 VanDerWaalsContact O-N 3.17Å; M168-M172 HydrophobicContact SD-CE 3.8Å; M172-L175 PolarHBondContact O-N 3.03Å; M172-L176 HydrophobicContact CG-CD1 3.92Å; M172-L176 HydrophobicContact CG-CG 4.35Å; M172-L176 WeakPolarHBondContact O-CB 3.44Å; M172-L176 VanDerWaalsContact O-CG 3.3Å; M172-L176 WeakPolarHBondContact O-CG 3.39Å; M172-L176 PolarHBondContact O-N 3.35Å; M172-L176 HydrophobicContact SD-CD1 4.26Å; M172-L176 HydrophobicContact SD-CG 4.26Å
173D91.3Very high89.1Confident113 Ų11379.3 Ų79.360%0.60439%0.394SS*.Hα-helixtrans-68.5-38.5-174.7-68.8-26.3000111.9E171 Q177 H189E171-D173 PolarHBondContact O-N 3.45Å; D173-Q177 WeakPolarHBondContact O-CB 3.23Å; D173-Q177 PolarHBondContact O-N 2.78Å; D173-H189 IonicContact OD1-CE1 3.28Å; D173-H189 IonicContact OD1-ND1 3.42Å; D173-H189 PolarHBondContact OD1-ND1 3Å
174E92.3Very high89Confident135 Ų13584 Ų8463%0.63142%0.42SS*.Hα-helixtrans-66.2-44.3175-176.6172.7-171.700111.1E171 L176 Q177 E178E171-E174 PolarHBondContact O-N 2.73Å; E174-L176 PolarHBondContact O-N 3.3Å; E174-Q177 PolarHBondContact O-N 3.36Å; E174-E178 PolarHBondContact O-N 3.27Å
175L93Very high88.9Confident20 Ų2080.6 Ų80.611%0.10540%0.402CS..Hα-helixtrans-61.2-45.4177.3-171.3156.2000111.1L158 C161 I162 T165 E171 M172 E178 F179L158-L175 HydrophobicContact CD1-CD2 3.47Å; L158-L175 VanDerWaalsContact CD1-CD2 3.47Å; C161-L175 HydrophobicContact CB-CD1 3.85Å; C161-L175 HydrophobicContact CB-CD2 4.28Å; C161-L175 HydrophobicContact CB-CG 4.32Å; I162-L175 HydrophobicContact CG1-CD1 4.08Å; I162-L175 HydrophobicContact CG1-CD2 4.1Å; T165-L175 HydrophobicContact CG2-CD1 3.71Å; E171-L175 VanDerWaalsContact O-CB 3.31Å; E171-L175 WeakPolarHBondContact O-CB 3.4Å; E171-L175 PolarHBondContact O-N 2.78Å; M172-L175 PolarHBondContact O-N 3.03Å; L175-E178 PolarHBondContact O-N 3.49Å; L175-F179 HydrophobicContact CD2-CD2 3.63Å; L175-F179 HydrophobicContact CD2-CE2 3.71Å; L175-F179 HydrophobicContact CG-CD2 4.32Å; L175-F179 HydrophobicContact CG-CE2 4.32Å; L175-F179 WeakPolarHBondContact O-CD2 3.38Å; L175-F179 PolarHBondContact O-N 3.43Å
176L93.9Very high89.1Confident8 Ų883.9 Ų83.94%0.04242%0.423CS..Hα-helixtrans-63.6-42177.4-72.2175.8000111.8I137 L158 M172 E174 E178 F179 E180 F187 H189I137-L176 HydrophobicContact CD1-CD1 4.22Å; I137-L176 HydrophobicContact CD1-CD2 4.12Å; I137-L176 HydrophobicContact CG2-CD2 4.17Å; L158-L176 HydrophobicContact CD1-CD2 3.91Å; L158-L176 HydrophobicContact CD2-CD2 4.41Å; M172-L176 HydrophobicContact CG-CD1 3.92Å; M172-L176 HydrophobicContact CG-CG 4.35Å; M172-L176 WeakPolarHBondContact O-CB 3.44Å; M172-L176 VanDerWaalsContact O-CG 3.3Å; M172-L176 WeakPolarHBondContact O-CG 3.39Å; M172-L176 PolarHBondContact O-N 3.35Å; M172-L176 HydrophobicContact SD-CD1 4.26Å; M172-L176 HydrophobicContact SD-CG 4.26Å; E174-L176 PolarHBondContact O-N 3.3Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 2.84Å; L176-F179 CarbonylContact O-C 3.44Å; L176-F179 PolarHBondContact O-N 2.91Å; L176-F179 VanDerWaalsContact O-N 3.09Å; L176-E180 WeakPolarHBondContact O-CG 3.39Å; L176-E180 PolarHBondContact O-N 2.79Å; L176-F187 HydrophobicContact CD2-CB 4.03Å; L176-F187 HydrophobicContact CD2-CD1 4.43Å; L176-F187 HydrophobicContact CD2-CG 4.12Å; L176-H189 HydrophobicContact CD1-CB 3.53Å
177Q93.5Very high89.8Confident98 Ų9876.8 Ų76.846%0.45839%0.385SS..Hα-helixtrans-59.4-42.5175.7-170.463.369.500112D173 E174 F179 E180 D181D173-Q177 WeakPolarHBondContact O-CB 3.23Å; D173-Q177 PolarHBondContact O-N 2.78Å; E174-Q177 PolarHBondContact O-N 3.36Å; Q177-F179 VanDerWaalsContact C-N 3.31Å; Q177-F179 PolarHBondContact O-N 3.44Å; Q177-E180 PolarHBondContact NE2-OE2 2.86Å; Q177-E180 PolarHBondContact O-N 2.92Å; Q177-D181 PolarHBondContact NE2-OD1 3.3Å; Q177-D181 PolarHBondContact O-N 2.96Å
178E91.7Very high90.4Very high90 Ų9076.9 Ų76.942%0.42139%0.385SS..Hα-helixtrans-62.5-38.3174.7-72.7-164.3-175.300112.7E174 L175 L176 K182E174-E178 PolarHBondContact O-N 3.27Å; L175-E178 PolarHBondContact O-N 3.49Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 2.84Å; E178-K182 WeakPolarHBondContact O-CB 3.36Å; E178-K182 WeakPolarHBondContact O-CD 3.33Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.48Å; E178-K182 PolarHBondContact O-N 3.2Å; E178-K182 IonicContact OE2-NZ 2.99Å; E178-K182 PolarHBondContact OE2-NZ 2.9Å
179F91.1Very high91Very high8 Ų877.1 Ų77.14%0.03539%0.385CS..Hα-helixtrans-69.6-37.6176.9-94.4-97.6000111.8L154 E157 L158 C161 L175 L176 Q177 D181 K182 S183 F187L154-F179 HydrophobicContact CD1-CD1 4.1Å; L154-F179 HydrophobicContact CD1-CE1 4.3Å; E157-F179 HydrophobicContact CB-CE1 4.2Å; E157-F179 HydrophobicContact CB-CZ 4.43Å; E157-F179 HydrophobicContact CG-CE1 3.97Å; E157-F179 HydrophobicContact CG-CZ 3.93Å; L158-F179 HydrophobicContact CB-CE1 4.15Å; L158-F179 HydrophobicContact CB-CZ 4.37Å; L158-F179 HydrophobicContact CD1-CD1 4.42Å; L158-F179 HydrophobicContact CD1-CD2 4.19Å; L158-F179 HydrophobicContact CD1-CE1 4.49Å; L158-F179 HydrophobicContact CD1-CE2 4.26Å; L158-F179 HydrophobicContact CD1-CG 4.26Å; L158-F179 HydrophobicContact CD1-CZ 4.4Å; C161-F179 HydrophobicContact CB-CE2 3.72Å; C161-F179 HydrophobicContact CB-CZ 3.98Å; C161-F179 VanDerWaalsContact SG-CZ 3.56Å; L175-F179 HydrophobicContact CD2-CD2 3.63Å; L175-F179 HydrophobicContact CD2-CE2 3.71Å; L175-F179 HydrophobicContact CG-CD2 4.32Å; L175-F179 HydrophobicContact CG-CE2 4.32Å; L175-F179 WeakPolarHBondContact O-CD2 3.38Å; L175-F179 PolarHBondContact O-N 3.43Å; L176-F179 CarbonylContact O-C 3.44Å; L176-F179 PolarHBondContact O-N 2.91Å; L176-F179 VanDerWaalsContact O-N 3.09Å; Q177-F179 VanDerWaalsContact C-N 3.31Å; Q177-F179 PolarHBondContact O-N 3.44Å; F179-D181 VanDerWaalsContact C-N 3.35Å; F179-K182 PolarHBondContact O-N 3.36Å; F179-S183 VanDerWaalsContact O-CB 3.23Å; F179-S183 WeakPolarHBondContact O-CB 3.42Å; F179-S183 PolarHBondContact O-N 3.24Å; F179-S183 PolarHBondContact O-OG 3.06Å; F179-F187 HydrophobicContact CB-CD2 4.39Å; F179-F187 HydrophobicContact CB-CE2 3.78Å; F179-F187 HydrophobicContact CB-CZ 4.22Å
180E92.7Very high91.7Very high51 Ų5173.1 Ų73.124%0.23837%0.37CS..Hα-helixtrans-58.5-48.5172.2-71.4-167.7156.400110.6L176 Q177 K182 S183 N184 R185 P186 F187L176-E180 WeakPolarHBondContact O-CG 3.39Å; L176-E180 PolarHBondContact O-N 2.79Å; Q177-E180 PolarHBondContact NE2-OE2 2.86Å; Q177-E180 PolarHBondContact O-N 2.92Å; E180-K182 PolarHBondContact O-N 3.33Å; E180-S183 PolarHBondContact O-N 2.71Å; E180-N184 VanDerWaalsContact O-CA 3.23Å; E180-N184 WeakPolarHBondContact O-CA 3.36Å; E180-N184 PolarHBondContact O-N 3.3Å; E180-R185 WeakPolarHBondContact CA-O 3.39Å; E180-R185 WeakPolarHBondContact CG-O 3.43Å; E180-P186 WeakPolarHBondContact OE1-CA 3.28Å; E180-F187 HydrophobicContact CG-CD2 3.57Å; E180-F187 HydrophobicContact CG-CE2 4.27Å; E180-F187 PolarHBondContact OE1-N 2.99Å
181D91.3Very high92.3Very high124 Ų12469.7 Ų69.766%0.66335%0.354SS*.Hα-helixtrans-64.3-39.8-179.2-71.2-12.7000112.2Q177 F179Q177-D181 PolarHBondContact NE2-OD1 3.3Å; Q177-D181 PolarHBondContact O-N 2.96Å; F179-D181 VanDerWaalsContact C-N 3.35Å
182K88.1Confident92.6Very high146 Ų14667 Ų6764%0.63534%0.343SS*.Hα-helixtrans-74.4-40.3179.5-73.4166.8-172155.30112.8E178 F179 E180E178-K182 WeakPolarHBondContact O-CB 3.36Å; E178-K182 WeakPolarHBondContact O-CD 3.33Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.48Å; E178-K182 PolarHBondContact O-N 3.2Å; E178-K182 IonicContact OE2-NZ 2.99Å; E178-K182 PolarHBondContact OE2-NZ 2.9Å; F179-K182 PolarHBondContact O-N 3.36Å; E180-K182 PolarHBondContact O-N 3.33Å
183S85.9Confident92.8Very high36 Ų3670.9 Ų70.925%0.25236%0.36SS..Hα-helixtrans-94.2-14.4-173.470.40000113.6F179 E180 R185F179-S183 VanDerWaalsContact O-CB 3.23Å; F179-S183 WeakPolarHBondContact O-CB 3.42Å; F179-S183 PolarHBondContact O-N 3.24Å; F179-S183 PolarHBondContact O-OG 3.06Å; E180-S183 PolarHBondContact O-N 2.71Å; S183-R185 PolarHBondContact O-N 3.37Å; S183-R185 PolarHBondContact OG-N 3.2Å
184N88.8Confident92.9Very high153 Ų15366.6 Ų66.682%0.81834%0.335SS*.THydrogen-bonded Turntrans51.639.5-171.1-16761000111.9E180E180-N184 VanDerWaalsContact O-CA 3.23Å; E180-N184 WeakPolarHBondContact O-CA 3.36Å; E180-N184 PolarHBondContact O-N 3.3Å
185R87Confident93Very high78 Ų7863.2 Ų63.229%0.29432%0.32SS..  trans-131.4133177.8-66.6179.7179.4-152.3-2.3108.8E147 E180 S183 F187E147-R185 IonicContact OE2-NH2 3.49Å; E147-R185 PolarHBondContact OE2-NH2 2.93Å; E180-R185 WeakPolarHBondContact CA-O 3.39Å; E180-R185 WeakPolarHBondContact CG-O 3.43Å; S183-R185 PolarHBondContact O-N 3.37Å; S183-R185 PolarHBondContact OG-N 3.2Å; R185-F187 WeakPolarHBondContact O-CE2 3.37Å
186P91.5Very high93Very high92 Ų9265.4 Ų65.460%0.59733%0.332SS*.  trans-72.9146.2175.431-34000111E180E180-P186 WeakPolarHBondContact OE1-CA 3.28Å
187F94.9Very high92.9Very high12 Ų1268.6 Ų68.65%0.05335%0.348CS..EExtended strand (participates in β ladder)trans-116.5122.9171-65.1-90.6000109.2I137 V139 L154 L158 L176 F179 E180 R185I137-F187 HydrophobicContact CG2-CB 4.32Å; I137-F187 HydrophobicContact CG2-CD1 4.12Å; V139-F187 HydrophobicContact CB-CE1 4.29Å; V139-F187 HydrophobicContact CG1-CE1 3.95Å; V139-F187 HydrophobicContact CG2-CD1 3.79Å; V139-F187 HydrophobicContact CG2-CE1 3.64Å; L154-F187 HydrophobicContact CD1-CZ 4.45Å; L154-F187 HydrophobicContact CD2-CE1 4.46Å; L154-F187 HydrophobicContact CD2-CZ 4.1Å; L154-F187 HydrophobicContact CG-CZ 4.42Å; L158-F187 HydrophobicContact CD2-CE1 4.33Å; L176-F187 HydrophobicContact CD2-CB 4.03Å; L176-F187 HydrophobicContact CD2-CD1 4.43Å; L176-F187 HydrophobicContact CD2-CG 4.12Å; F179-F187 HydrophobicContact CB-CD2 4.39Å; F179-F187 HydrophobicContact CB-CE2 3.78Å; F179-F187 HydrophobicContact CB-CZ 4.22Å; E180-F187 HydrophobicContact CG-CD2 3.57Å; E180-F187 HydrophobicContact CG-CE2 4.27Å; E180-F187 PolarHBondContact OE1-N 2.99Å; R185-F187 WeakPolarHBondContact O-CE2 3.37Å
188L97.3Very high92.9Very high67 Ų6766.9 Ų66.935%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-81.2137.2168.7-52.6176.8000108.2E113 Y116 I137 N138E113-L188 HydrophobicContact CG-CD1 3.99Å; Y116-L188 HydrophobicContact CD1-CD1 4.03Å; Y116-L188 HydrophobicContact CE1-CB 4.09Å; Y116-L188 HydrophobicContact CE1-CD1 4.15Å; Y116-L188 HydrophobicContact CE2-CB 4.25Å; I137-L188 CarbonylContact C-O 3.58Å; I137-L188 WeakPolarHBondContact CA-O 3.17Å; N138-L188 HydrophobicContact CB-CB 3.79Å; N138-L188 HydrophobicContact CB-CD1 4.14Å; N138-L188 HydrophobicContact CB-CG 4.12Å; N138-L188 PolarHBondContact N-O 2.95Å
189H97.3Very high93Very high51 Ų5165.4 Ų65.424%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-135.6135.3179.6172.9-134000110.5H135 V136 D173 L176H135-H189 AromaticContact CE1-NE2 3.87Å; H135-H189 AromaticContact CG-NE2 3.91Å; H135-H189 AromaticContact ND1-CE1 3.73Å; H135-H189 AromaticContact ND1-NE2 2.93Å; H135-H189 PolarHBondContact ND1-NE2 3.13Å; V136-H189 WeakPolarHBondContact O-CA 3.46Å; D173-H189 IonicContact OD1-CE1 3.28Å; D173-H189 IonicContact OD1-ND1 3.42Å; D173-H189 PolarHBondContact OD1-ND1 3Å; L176-H189 HydrophobicContact CD1-CB 3.53Å
190T97.3Very high93.1Very high50 Ų5069.3 Ų69.331%0.30736%0.357SS..EExtended strand (participates in β ladder)trans-150.6164.7166.9-158.60000110.9Y116 L120 V136Y116-T190 HydrophobicContact CE2-CG2 4.44Å; Y116-T190 VanDerWaalsContact OH-CB 3.27Å; Y116-T190 WeakPolarHBondContact OH-CB 3.22Å; Y116-T190 WeakPolarHBondContact OH-CG2 3.42Å; Y116-T190 PolarHBondContact OH-N 3.34Å; L120-T190 HydrophobicContact CD1-CG2 3.86Å; L120-T190 HydrophobicContact CD2-CG2 3.31Å; L120-T190 HydrophobicContact CG-CG2 4.23Å; V136-T190 HydrophobicContact CB-CG2 4.17Å; V136-T190 PolarHBondContact N-O 3.26Å; V136-T190 PolarHBondContact O-N 2.93Å
191V96.9Very high93.1Very high54 Ų5470.6 Ų70.633%0.32737%0.365SS..EExtended strand (participates in β ladder)trans-111.8128.8174.9-179.30000109P133 V134 F193P133-V191 HydrophobicContact CB-CG1 3.84Å; V134-V191 WeakPolarHBondContact O-CA 3.27Å; V191-F193 HydrophobicContact CG1-CE1 4.39Å; V191-F193 HydrophobicContact CG1-CE2 4.28Å; V191-F193 HydrophobicContact CG1-CZ 4Å
192C97Very high93.3Very high17 Ų1766.5 Ų66.512%0.11534%0.342CS..EExtended strand (participates in β ladder)trans-111.1172170.1-71.80000109.9L123 P133 V134 V136L123-C192 HydrophobicContact CB-CB 4.09Å; L123-C192 HydrophobicContact CD1-CB 3.76Å; P133-C192 CarbonylContact C-O 3.59Å; P133-C192 WeakPolarHBondContact CA-O 3.34Å; V134-C192 HydrophobicContact CG1-CB 3.78Å; V134-C192 PolarHBondContact N-O 3.48Å; V134-C192 PolarHBondContact O-N 3.39Å; V136-C192 HydrophobicContact CG2-CB 4.42Å
193F96.3Very high93.7Very high86 Ų8659.8 Ų59.838%0.37732%0.318SS..EExtended strand (participates in β ladder)trans-131.8137.2-179.6-60.3-88.6000110.3Q128 T132 P133 V191Q128-F193 HydrophobicContact CG-CB 4.37Å; T132-F193 WeakPolarHBondContact O-CA 3.43Å; P133-F193 HydrophobicContact CB-CD1 4.2Å; P133-F193 HydrophobicContact CB-CE1 3.94Å; V191-F193 HydrophobicContact CG1-CE1 4.39Å; V191-F193 HydrophobicContact CG1-CE2 4.28Å; V191-F193 HydrophobicContact CG1-CZ 4Å
194Y94.3Very high94.4Very high22 Ų2262 Ų629%0.08632%0.324CS..  trans-85.20175.4-68.1-63.5000113.8Q104 F105 L123 Q128 E129 T130 F131 T132 V134Q104-Y194 HydrophobicContact CB-CD2 3.7Å; Q104-Y194 HydrophobicContact CB-CE2 3.56Å; Q104-Y194 HydrophobicContact CB-CG 4.23Å; Q104-Y194 HydrophobicContact CG-CD1 4.05Å; Q104-Y194 HydrophobicContact CG-CD2 3.65Å; Q104-Y194 HydrophobicContact CG-CE1 4.37Å; Q104-Y194 HydrophobicContact CG-CE2 3.97Å; Q104-Y194 HydrophobicContact CG-CG 3.69Å; F105-Y194 WeakPolarHBondContact CD2-OH 3.34Å; F105-Y194 PolarHBondContact N-OH 3.17Å; F105-Y194 WeakPolarHBondContact O-CE2 3.44Å; L123-Y194 HydrophobicContact CD2-CD1 4.38Å; L123-Y194 HydrophobicContact CD2-CE1 3.86Å; Q128-Y194 WeakPolarHBondContact CA-OXT 3.28Å; E129-Y194 PolarHBondContact N-O 3.37Å; E129-Y194 PolarHBondContact N-OXT 3.22Å; T130-Y194 CarbonylContact C-O 3.55Å; T130-Y194 WeakPolarHBondContact CA-O 3.24Å; T130-Y194 PolarHBondContact N-O 2.86Å; T130-Y194 WeakPolarHBondContact OG1-CB 3.46Å; T130-Y194 PolarHBondContact OG1-O 3.04Å; F131-Y194 PolarHBondContact N-O 3.43Å; T132-Y194 PolarHBondContact O-N 3.47Å; V134-Y194 HydrophobicContact CB-CD2 4.3Å; V134-Y194 HydrophobicContact CB-CE2 3.58Å; V134-Y194 HydrophobicContact CG1-CD2 4.28Å; V134-Y194 HydrophobicContact CG1-CE1 4.39Å; V134-Y194 HydrophobicContact CG1-CE2 3.79Å; V134-Y194 HydrophobicContact CG2-CE2 4.14Å

Retrieved 194 of 194 residues in 1454 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).