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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 , UniProt , Accession A0A060WIK0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ssu72, Length 194 aa.

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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
1M39.6Very low80Confident233 Ų23366.7 Ų66.7100%1.14836%0.358SS*.  0132.10-71.5-149.8-17700105.6S3M1-S3 PolarHBondContact O-N 3.19Å
2P47.3Very low81.5Confident62 Ų6261.4 Ų61.440%0.40333%0.33SS..  trans-55.2139.5176.524.6-32000108.4H4 Q163P2-H4 PolarHBondContact O-N 3.32Å; P2-Q163 HydrophobicContact CG-CG 3.97Å
3S58.7Low82.8Confident111 Ų11158.2 Ų58.278%0.77632%0.315SS*.SBendtrans-62.1-25.8-171.249.90000112.4M1M1-S3 PolarHBondContact O-N 3.19Å
4H68.1Low83.9Confident154 Ų15454.9 Ų54.971%0.71330%0.299SS*.SBendtrans-145.8150.2170.9-68.5-60000112.1P2P2-H4 PolarHBondContact O-N 3.32Å
5P82.9Confident84.9Confident85 Ų8551.3 Ų51.355%0.55228%0.279SS*.  trans-69.9130.917727.7-32.4000111.4R7P5-R7 PolarHBondContact O-N 2.95Å
6L91.3Very high85.8Confident7 Ų748.4 Ų48.44%0.03726%0.263CS..  trans-56.5120.6178.8-173.673.3000111.4V8 F31 D106 L107 C159 I162 M168L6-V8 HydrophobicContact CD2-CG2 3.68Å; L6-V8 HydrophobicContact CG-CG2 3.74Å; L6-F31 HydrophobicContact CD2-CE1 4.38Å; L6-D106 HydrophobicContact CD1-CB 3.76Å; L6-L107 HydrophobicContact CD1-CB 4.36Å; L6-L107 HydrophobicContact CD2-CD2 4.15Å; L6-C159 HydrophobicContact CD2-CB 4.39Å; L6-I162 HydrophobicContact CD1-CG2 4.32Å; L6-I162 HydrophobicContact CD2-CG2 4.16Å; L6-M168 HydrophobicContact CD1-CE 3.41Å; L6-M168 VanDerWaalsContact CD1-CE 3.41Å; L6-M168 HydrophobicContact CD1-SD 4.36Å
7R96.8Very high86.5Confident82 Ų8246.1 Ų46.131%0.30925%0.25SS..EExtended strand (participates in β ladder)trans-91.9114.6174.6-57.5-171.272.3-137-7109.9P5 D32 Q104 D106 L107P5-R7 PolarHBondContact O-N 2.95Å; R7-D32 WeakPolarHBondContact CA-O 3.24Å; R7-D32 WeakPolarHBondContact CD-OD2 3.31Å; R7-D32 HydrophobicContact CG-CB 4.24Å; R7-D32 WeakPolarHBondContact CG-OD2 3.45Å; R7-D32 IonicContact CZ-OD2 3.21Å; R7-D32 IonicContact NE-OD2 2.65Å; R7-D32 PolarHBondContact NE-OD2 2.88Å; R7-D32 IonicContact NH2-OD2 3.48Å; R7-Q104 PolarHBondContact NH1-O 2.95Å; R7-D106 PolarHBondContact N-OD2 3.49Å; R7-D106 PolarHBondContact O-N 3.45Å; R7-L107 PolarHBondContact O-N 3.5Å
8V98.4Very high87.2Confident0 Ų043.8 Ų43.80%024%0.238CC..EExtended strand (participates in β ladder)trans-113.2135.8-170.8-174.90000111.2L6 V10 L26 F31 D32 V33 R34 L107 I109L6-V8 HydrophobicContact CD2-CG2 3.68Å; L6-V8 HydrophobicContact CG-CG2 3.74Å; V8-V10 HydrophobicContact CG1-CG2 4.22Å; V8-L26 HydrophobicContact CG1-CD1 4.18Å; V8-F31 HydrophobicContact CG2-CD1 4.37Å; V8-D32 PolarHBondContact N-O 3.3Å; V8-V33 CarbonylContact O-C 3.52Å; V8-V33 VanDerWaalsContact O-CA 3.29Å; V8-V33 WeakPolarHBondContact O-CA 3.44Å; V8-R34 PolarHBondContact O-N 3.3Å; V8-L107 CarbonylContact C-O 3.59Å; V8-L107 WeakPolarHBondContact CA-O 3.41Å; V8-I109 HydrophobicContact CG1-CD1 4.26Å
9A98.8Very high87.8Confident0 Ų041.5 Ų41.50%023%0.225CC..EExtended strand (participates in β ladder)trans-112.5129.3164.200000110.6R34 F36 F105 L107 V108 I109A9-R34 CarbonylContact C-O 3.56Å; A9-R34 WeakPolarHBondContact CA-O 3.27Å; A9-F36 HydrophobicContact CB-CD2 4.1Å; A9-F36 HydrophobicContact CB-CE2 3.97Å; A9-F105 HydrophobicContact CB-CB 4.38Å; A9-F105 HydrophobicContact CB-CD1 3.8Å; A9-F105 HydrophobicContact CB-CD2 3.65Å; A9-F105 HydrophobicContact CB-CE1 3.96Å; A9-F105 HydrophobicContact CB-CE2 3.82Å; A9-F105 HydrophobicContact CB-CG 3.65Å; A9-F105 HydrophobicContact CB-CZ 3.98Å; A9-L107 PolarHBondContact N-O 3.27Å; A9-V108 HydrophobicContact CB-CG2 4.22Å; A9-V108 CarbonylContact O-C 3.47Å; A9-V108 WeakPolarHBondContact O-CA 3.26Å; A9-I109 PolarHBondContact O-N 3.44Å
10V98.9Very high88.3Confident0 Ų039.5 Ų39.50%021%0.214CC..EExtended strand (participates in β ladder)trans-108.3127.9171.1-167.60000110.7V8 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 4.29Å; V10-A22 HydrophobicContact CG1-CB 3.81Å; V10-A22 HydrophobicContact CG2-CB 4.09Å; V10-L26 HydrophobicContact CG2-CD1 3.66Å; V10-V33 HydrophobicContact CG2-CG2 4.32Å; V10-R34 PolarHBondContact N-O 3.45Å; V10-S35 CarbonylContact O-C 3.54Å; V10-S35 WeakPolarHBondContact O-CA 3.46Å; V10-S35 WeakPolarHBondContact O-CB 3.33Å; V10-F36 PolarHBondContact O-N 3.04Å; V10-I109 CarbonylContact C-O 3.53Å; V10-I109 WeakPolarHBondContact CA-O 3.33Å; V10-I155 HydrophobicContact CG1-CD1 4.15Å; V10-I155 HydrophobicContact CG2-CG2 4.45Å
11V98.9Very high88.8Confident0 Ų039 Ų390%021%0.21CC..EExtended strand (participates in β ladder)trans-125.2127.4-168.7-165.30000110.5F36 T38 F98 V108 I109 T110 C111 V115 V119V11-F36 HydrophobicContact CG1-CB 4.14Å; V11-F36 HydrophobicContact CG2-CB 4.27Å; V11-F36 HydrophobicContact CG2-CD2 4.48Å; V11-T38 HydrophobicContact CG1-CG2 3.68Å; 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 3.79Å; V11-F98 HydrophobicContact CG2-CE2 4.11Å; V11-V108 HydrophobicContact CG2-CG1 3.73Å; V11-I109 PolarHBondContact N-O 3.14Å; V11-T110 HydrophobicContact CB-CG2 4.32Å; V11-T110 WeakPolarHBondContact O-CA 3.26Å; V11-C111 PolarHBondContact O-N 2.91Å; V11-C111 PolarHBondContact O-SG 2.86Å; V11-C111 VanDerWaalsContact O-SG 3.35Å; V11-V115 HydrophobicContact CB-CG1 4.06Å; V11-V115 HydrophobicContact CG1-CG1 3.69Å; V11-V119 HydrophobicContact CB-CG2 4.31Å; V11-V119 HydrophobicContact CG1-CG2 3.98Å; V11-V119 HydrophobicContact CG2-CG2 4.36Å
12C98.5Very high91.6Very high3 Ų327.9 Ų27.92%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-126.5-164.4168.677.80000110.3N15 R18 S19 F36 G37 T38 C111C12-N15 PolarHBondContact SG-N 2.94Å; C12-R18 HydrophobicContact CB-CB 4.21Å; C12-S19 PolarHBondContact SG-OG 3.24Å; C12-F36 PolarHBondContact N-O 3.47Å; C12-G37 CarbonylContact O-C 3.12Å; C12-G37 WeakPolarHBondContact O-CA 3.38Å; C12-T38 PolarHBondContact O-N 3.42Å; C12-C111 HydrophobicContact CB-CB 4.03Å
13S98.4Very high94.1Very high20 Ų2025.9 Ų25.914%0.1414%0.141CC..SBendtrans-73.7-56.7179.7-177.60000112.9G37 T38 G39S13-G37 CarbonylContact O-C 3.5Å; S13-G37 WeakPolarHBondContact O-CA 3.25Å; S13-T38 PolarHBondContact O-N 3.01Å; S13-G39 PolarHBondContact O-N 3.3Å
14S98.5Very high96Very high12 Ų1222 Ų228%0.08411%0.111CC..SBendtrans-102.7-4.9-171.1-67.10000115Q16 K43S14-Q16 VanDerWaalsContact C-N 3.3Å; S14-Q16 PolarHBondContact O-N 3.19Å; S14-K43 PolarHBondContact OG-N 3.42Å; S14-K43 PolarHBondContact OG-O 3.44Å
15N98.8Very high97.4Very high0 Ų015.3 Ų15.30%08%0.081CC..SBendtrans53.745.1-169.4-154.6-1.4000113C12 S19 M20 S35 F36 Y61 K92 P95 E96C12-N15 PolarHBondContact SG-N 2.94Å; N15-S19 PolarHBondContact OD1-OG 2.95Å; N15-M20 WeakPolarHBondContact O-CG 3.49Å; N15-M20 PolarHBondContact OD1-SD 2.97Å; N15-S35 PolarHBondContact ND2-O 3.25Å; N15-S35 PolarHBondContact OD1-OG 3.07Å; N15-F36 VanDerWaalsContact CG-C 3.48Å; N15-F36 WeakPolarHBondContact ND2-CA 2.9Å; N15-F36 PolarHBondContact ND2-N 3.26Å; N15-Y61 PolarHBondContact O-OH 2.91Å; N15-K92 PolarHBondContact ND2-NZ 2.87Å; N15-P95 HydrophobicContact CB-CB 3.79Å; N15-E96 PolarHBondContact ND2-N 3.04Å; N15-E96 PolarHBondContact ND2-O 3.43Å
16Q98.6Very high98.2Very high5 Ų511.3 Ų11.32%0.0236%0.055CC..SBendtrans-121-57.7-174.6-75.5-67.8-9.700112.5S14 M20 V42 L44 M64 M84 R87 N88S14-Q16 VanDerWaalsContact C-N 3.3Å; S14-Q16 PolarHBondContact O-N 3.19Å; 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 3.8Å; Q16-L44 HydrophobicContact CG-CG 4.39Å; Q16-M64 PolarHBondContact NE2-SD 2.94Å; Q16-M84 HydrophobicContact CB-SD 4.14Å; Q16-R87 PolarHBondContact O-NH2 2.78Å; Q16-N88 PolarHBondContact O-ND2 3.06Å; Q16-N88 PolarHBondContact O-OD1 3.01Å; Q16-N88 PolarHBondContact OE1-ND2 2.82Å
17N98.2Very high98.5Very high10 Ų1014 Ų145%0.0537%0.074CC..SBendtrans-100.8-87-170.6-175.529.4000111.5S19 M20 E21 M84 D143 N144 A148N17-S19 PolarHBondContact O-N 2.67Å; N17-M20 PolarHBondContact O-N 3.17Å; N17-E21 PolarHBondContact O-N 3.31Å; N17-M84 HydrophobicContact CB-CE 3.84Å; N17-M84 HydrophobicContact CB-SD 3.95Å; N17-D143 WeakPolarHBondContact CB-OD1 3.36Å; N17-D143 PolarHBondContact ND2-OD1 2.71Å; N17-N144 PolarHBondContact ND2-O 2.65Å; N17-N144 VanDerWaalsContact ND2-O 3.09Å; N17-A148 WeakPolarHBondContact OD1-CB 3.47Å
18R98.7Very high98.5Very high5 Ų517.5 Ų17.52%0.0199%0.092CC..Hα-helixtrans-52.7-58-172.5-63.9169.3-79.3170-2114.1C12 M20 E21 A22 C111 E112 I141 D143 A148C12-R18 HydrophobicContact CB-CB 4.21Å; R18-M20 VanDerWaalsContact C-N 3.3Å; R18-M20 PolarHBondContact O-N 3.49Å; R18-E21 PolarHBondContact O-N 3.47Å; R18-A22 PolarHBondContact O-N 3.39Å; R18-A22 VanDerWaalsContact O-N 3.08Å; R18-C111 HydrophobicContact CB-CB 3.92Å; R18-C111 PolarHBondContact NH1-O 3.39Å; R18-E112 IonicContact CZ-OE1 3.53Å; R18-E112 IonicContact CZ-OE2 3.34Å; R18-E112 IonicContact NH1-OE1 3.01Å; R18-E112 IonicContact NH1-OE2 3.73Å; R18-E112 PolarHBondContact NH1-OE2 2.99Å; R18-E112 IonicContact NH2-OE1 2.68Å; R18-E112 PolarHBondContact NH2-OE1 2.95Å; R18-E112 VanDerWaalsContact NH2-OE1 3.16Å; R18-E112 IonicContact NH2-OE2 3.96Å; R18-E112 PolarHBondContact NH2-OE2 3.48Å; R18-I141 WeakPolarHBondContact CD-O 3.46Å; R18-I141 HydrophobicContact CG-CB 4.39Å; R18-I141 HydrophobicContact CG-CG2 3.82Å; R18-I141 PolarHBondContact NH1-O 2.87Å; R18-D143 IonicContact CZ-OD1 3.07Å; R18-D143 IonicContact CZ-OD2 3.94Å; R18-D143 IonicContact NE-OD1 3.99Å; R18-D143 PolarHBondContact NE-OD1 3.49Å; R18-D143 IonicContact NE-OD2 2.64Å; R18-D143 PolarHBondContact NE-OD2 3.26Å; R18-D143 IonicContact NH2-OD2 3.44Å; R18-D143 PolarHBondContact NH2-OD2 3.32Å; R18-A148 HydrophobicContact CG-CB 4.06Å
19S98.8Very high98.3Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-65.6-30-178.764.20000113.9V10 C12 N15 N17 H23 F36V10-S19 WeakPolarHBondContact O-CB 3.49Å; C12-S19 PolarHBondContact SG-OG 3.24Å; N15-S19 PolarHBondContact OD1-OG 2.95Å; N17-S19 PolarHBondContact O-N 2.67Å; S19-H23 VanDerWaalsContact O-CB 3.28Å; S19-H23 WeakPolarHBondContact O-CB 3.28Å; S19-H23 PolarHBondContact O-N 3.19Å; S19-F36 PolarHBondContact OG-O 3.39Å
20M98.8Very high98.2Very high0 Ų028.1 Ų28.10%015%0.152CC..Hα-helixtrans-79.9-31.4179.1-72.2-61.4-67.200112.6N15 Q16 N17 R18 N24 S35 Y61 N88 I91 K92N15-M20 WeakPolarHBondContact O-CG 3.49Å; N15-M20 PolarHBondContact OD1-SD 2.97Å; Q16-M20 WeakPolarHBondContact O-CB 3.32Å; N17-M20 PolarHBondContact O-N 3.17Å; R18-M20 VanDerWaalsContact C-N 3.3Å; R18-M20 PolarHBondContact O-N 3.49Å; M20-N24 WeakPolarHBondContact O-CB 3.48Å; M20-N24 PolarHBondContact O-N 3.16Å; M20-S35 PolarHBondContact SD-OG 2.98Å; M20-Y61 HydrophobicContact CE-CE2 4.28Å; M20-N88 VanDerWaalsContact CB-OD1 3.27Å; M20-N88 WeakPolarHBondContact CB-OD1 3.48Å; M20-N88 HydrophobicContact CE-CB 3.9Å; M20-I91 HydrophobicContact CE-CB 3.79Å; M20-I91 HydrophobicContact CE-CD1 3.88Å; M20-I91 HydrophobicContact CE-CG1 4.44Å; M20-I91 HydrophobicContact CE-CG2 3.79Å; M20-K92 HydrophobicContact CE-CD 4.45Å; M20-K92 HydrophobicContact CE-CG 4.17Å; M20-K92 HydrophobicContact SD-CD 4.38Å
21E98.7Very high98Very high29 Ų2929 Ų2914%0.13616%0.156CC..Hα-helixtrans-67.4-45.3170.7-165.459.3-116.600110.4N17 R18 H23 N24 I25 R87 A148 A152N17-E21 PolarHBondContact O-N 3.31Å; R18-E21 PolarHBondContact O-N 3.47Å; E21-H23 PolarHBondContact O-N 3.47Å; E21-N24 WeakPolarHBondContact O-CB 3.29Å; E21-N24 PolarHBondContact O-N 3Å; E21-N24 PolarHBondContact OE1-ND2 3.04Å; E21-I25 PolarHBondContact O-N 3.21Å; E21-I25 VanDerWaalsContact O-N 3.11Å; E21-R87 IonicContact OE2-CZ 2.73Å; E21-R87 IonicContact OE2-NE 2.71Å; E21-R87 IonicContact OE2-NH1 3.69Å; E21-R87 PolarHBondContact OE2-NH1 3.34Å; E21-A148 HydrophobicContact CB-CB 4.42Å; E21-A152 HydrophobicContact CB-CB 4.24Å; E21-A152 HydrophobicContact CG-CB 3.93Å
22A98.8Very high98Very high0 Ų032.1 Ų32.10%017%0.173CC..Hα-helixtrans-59.5-4517300000112.4V10 R18 N24 I25 L26 A152 I155V10-A22 HydrophobicContact CB-CB 4.29Å; V10-A22 HydrophobicContact CG1-CB 3.81Å; V10-A22 HydrophobicContact CG2-CB 4.09Å; R18-A22 PolarHBondContact O-N 3.39Å; R18-A22 VanDerWaalsContact O-N 3.08Å; A22-N24 VanDerWaalsContact C-N 3.34Å; A22-N24 PolarHBondContact O-N 3.22Å; A22-I25 PolarHBondContact O-N 3.43Å; A22-L26 WeakPolarHBondContact O-CB 3.45Å; A22-L26 WeakPolarHBondContact O-CG 3.32Å; A22-L26 PolarHBondContact O-N 3.27Å; A22-A152 HydrophobicContact CB-CB 4.12Å; A22-I155 HydrophobicContact CB-CD1 4.1Å; A22-I155 HydrophobicContact CB-CG2 4.39Å
23H98.8Very high97.9Very high21 Ų2132.6 Ų32.610%0.09718%0.176CC..Hα-helixtrans-54.4-49.6174.2-171.7135.7000111.4S19 E21 I25 L26 S27 S35 I91S19-H23 VanDerWaalsContact O-CB 3.28Å; S19-H23 WeakPolarHBondContact O-CB 3.28Å; S19-H23 PolarHBondContact O-N 3.19Å; E21-H23 PolarHBondContact O-N 3.47Å; H23-I25 VanDerWaalsContact C-N 3.33Å; H23-I25 PolarHBondContact O-N 3.21Å; H23-L26 PolarHBondContact O-N 2.98Å; H23-S27 WeakPolarHBondContact O-CB 2.99Å; H23-S27 PolarHBondContact O-N 3.24Å; H23-S35 WeakPolarHBondContact ND1-CB 3.44Å; H23-S35 PolarHBondContact ND1-OG 2.62Å; H23-I91 WeakPolarHBondContact CD2-CG2 3.29Å; H23-I91 VanDerWaalsContact NE2-CG2 3.33Å; H23-I91 WeakPolarHBondContact NE2-CG2 3.44Å
24N98.6Very high98Very high28 Ų2834.3 Ų34.315%0.1518%0.179CC..Hα-helixtrans-57.2-45.2-179.7-178.543.7000112.1M20 E21 A22 K28 I91M20-N24 WeakPolarHBondContact O-CB 3.48Å; M20-N24 PolarHBondContact O-N 3.16Å; E21-N24 WeakPolarHBondContact O-CB 3.29Å; E21-N24 PolarHBondContact O-N 3Å; E21-N24 PolarHBondContact OE1-ND2 3.04Å; A22-N24 VanDerWaalsContact C-N 3.34Å; A22-N24 PolarHBondContact O-N 3.22Å; N24-K28 PolarHBondContact ND2-NZ 3.39Å; N24-K28 WeakPolarHBondContact O-CB 3.46Å; N24-K28 WeakPolarHBondContact O-CD 3.34Å; N24-K28 VanDerWaalsContact O-CG 3.27Å; N24-K28 WeakPolarHBondContact O-CG 3.47Å; N24-K28 PolarHBondContact O-N 3.37Å; N24-K28 WeakPolarHBondContact OD1-CE 3.17Å; N24-K28 PolarHBondContact OD1-NZ 3.04Å; N24-K28 VanDerWaalsContact OD1-NZ 3.09Å; N24-I91 HydrophobicContact CB-CD1 3.74Å
25I98.3Very high98Very high15 Ų1533.7 Ų33.78%0.07718%0.175CC..Hα-helixtrans-69.4-50.8-179.9-63.1-170.7000110.8E21 A22 H23 S27 K28 R29 A152 F153 C156E21-I25 PolarHBondContact O-N 3.21Å; E21-I25 VanDerWaalsContact O-N 3.11Å; A22-I25 PolarHBondContact O-N 3.43Å; H23-I25 VanDerWaalsContact C-N 3.33Å; H23-I25 PolarHBondContact O-N 3.21Å; I25-S27 PolarHBondContact O-N 2.93Å; I25-K28 PolarHBondContact O-N 3.23Å; I25-R29 VanDerWaalsContact O-CG 3.3Å; I25-R29 WeakPolarHBondContact O-CG 3.26Å; I25-R29 PolarHBondContact O-N 2.9Å; I25-R29 VanDerWaalsContact O-N 3.11Å; I25-A152 HydrophobicContact CD1-CB 3.53Å; I25-A152 HydrophobicContact CG1-CB 4.22Å; I25-F153 HydrophobicContact CD1-CD1 4Å; I25-F153 HydrophobicContact CD1-CD2 4.28Å; I25-F153 HydrophobicContact CD1-CE1 3.89Å; I25-F153 HydrophobicContact CD1-CE2 4.19Å; I25-F153 HydrophobicContact CD1-CG 4.19Å; I25-F153 HydrophobicContact CD1-CZ 3.99Å; I25-C156 HydrophobicContact CG2-CB 3.86Å
26L98Very high98Very high0 Ų033.8 Ų33.80%018%0.175CC..Hα-helixtrans-59.4-44.8-179.4-73.4172.2000111.7V8 V10 A22 H23 K28 R29 G30 F31 V33 I155 C156 C159V8-L26 HydrophobicContact CG1-CD1 4.18Å; V10-L26 HydrophobicContact CG2-CD1 3.66Å; A22-L26 WeakPolarHBondContact O-CB 3.45Å; A22-L26 WeakPolarHBondContact O-CG 3.32Å; A22-L26 PolarHBondContact O-N 3.27Å; H23-L26 PolarHBondContact O-N 2.98Å; L26-K28 PolarHBondContact O-N 3.43Å; L26-R29 CarbonylContact O-C 3.59Å; L26-R29 WeakPolarHBondContact O-CA 3.37Å; L26-R29 PolarHBondContact O-N 3.12Å; L26-G30 PolarHBondContact O-N 3.04Å; L26-G30 VanDerWaalsContact O-N 3.17Å; L26-F31 HydrophobicContact CB-CB 4.18Å; L26-F31 HydrophobicContact CB-CD2 4.28Å; L26-F31 HydrophobicContact CD2-CD2 3.59Å; L26-F31 HydrophobicContact CD2-CE2 3.87Å; L26-F31 HydrophobicContact CD2-CG 4Å; L26-F31 HydrophobicContact CD2-CZ 4.49Å; L26-F31 PolarHBondContact O-N 3.06Å; L26-V33 HydrophobicContact CB-CB 4.05Å; L26-V33 HydrophobicContact CB-CG1 3.94Å; L26-V33 HydrophobicContact CB-CG2 4.07Å; L26-V33 HydrophobicContact CD1-CB 4.45Å; L26-V33 HydrophobicContact CD1-CG2 3.76Å; L26-I155 HydrophobicContact CD1-CG2 3.94Å; L26-I155 HydrophobicContact CG-CG2 4.49Å; L26-C156 HydrophobicContact CD2-CB 4.17Å; L26-C159 HydrophobicContact CD2-CB 3.95Å
27S97.6Very high98Very high65 Ų6533.5 Ų33.546%0.45517%0.174SC..Hα-helixtrans-61-43.4177.9178.90000111.8H23 I25 R29 G30H23-S27 WeakPolarHBondContact O-CB 2.99Å; H23-S27 PolarHBondContact O-N 3.24Å; I25-S27 PolarHBondContact O-N 2.93Å; S27-R29 PolarHBondContact O-N 3.43Å; S27-G30 PolarHBondContact O-N 3.07Å
28K96.9Very high98Very high155 Ų15533.1 Ų33.167%0.67417%0.172SC*.Hα-helixtrans-65.1-21.6174.9-75.3172.5-179165.50113.7N24 I25 L26N24-K28 PolarHBondContact ND2-NZ 3.39Å; N24-K28 WeakPolarHBondContact O-CB 3.46Å; N24-K28 WeakPolarHBondContact O-CD 3.34Å; N24-K28 VanDerWaalsContact O-CG 3.27Å; N24-K28 WeakPolarHBondContact O-CG 3.47Å; N24-K28 PolarHBondContact O-N 3.37Å; N24-K28 WeakPolarHBondContact OD1-CE 3.17Å; N24-K28 PolarHBondContact OD1-NZ 3.04Å; N24-K28 VanDerWaalsContact OD1-NZ 3.09Å; I25-K28 PolarHBondContact O-N 3.23Å; L26-K28 PolarHBondContact O-N 3.43Å
29R95.7Very high98Very high157 Ų15733.2 Ų33.259%0.59217%0.174SC*.THydrogen-bonded Turntrans-92.21176.1-64.8-69.8-169.3164.74.3113I25 L26 S27 F31I25-R29 VanDerWaalsContact O-CG 3.3Å; I25-R29 WeakPolarHBondContact O-CG 3.26Å; I25-R29 PolarHBondContact O-N 2.9Å; I25-R29 VanDerWaalsContact O-N 3.11Å; L26-R29 CarbonylContact O-C 3.59Å; L26-R29 WeakPolarHBondContact O-CA 3.37Å; L26-R29 PolarHBondContact O-N 3.12Å; S27-R29 PolarHBondContact O-N 3.43Å; R29-F31 HydrophobicContact CB-CD2 3.95Å; R29-F31 HydrophobicContact CB-CE2 4.05Å
30G95.3Very high97.9Very high66 Ų6637.1 Ų37.168%0.6820%0.201SC*.THydrogen-bonded Turntrans87.412.517300000115.2L26 S27L26-G30 PolarHBondContact O-N 3.04Å; L26-G30 VanDerWaalsContact O-N 3.17Å; S27-G30 PolarHBondContact O-N 3.07Å
31F96.1Very high97.9Very high17 Ų1741.1 Ų41.18%0.07522%0.22CC..  trans-71.5145.7172.6-71.9-87.7000111.3L6 V8 L26 R29 V33 C159 Q160 Q163L6-F31 HydrophobicContact CD2-CE1 4.38Å; V8-F31 HydrophobicContact CG2-CD1 4.37Å; L26-F31 HydrophobicContact CB-CB 4.18Å; L26-F31 HydrophobicContact CB-CD2 4.28Å; L26-F31 HydrophobicContact CD2-CD2 3.59Å; L26-F31 HydrophobicContact CD2-CE2 3.87Å; L26-F31 HydrophobicContact CD2-CG 4Å; L26-F31 HydrophobicContact CD2-CZ 4.49Å; L26-F31 PolarHBondContact O-N 3.06Å; R29-F31 HydrophobicContact CB-CD2 3.95Å; R29-F31 HydrophobicContact CB-CE2 4.05Å; F31-V33 PolarHBondContact O-N 3.17Å; F31-V33 VanDerWaalsContact O-N 3.13Å; F31-C159 HydrophobicContact CD1-CB 4.29Å; F31-C159 HydrophobicContact CE1-CB 3.61Å; F31-C159 HydrophobicContact CE2-CB 4.37Å; F31-C159 HydrophobicContact CZ-CB 3.67Å; F31-Q160 HydrophobicContact CE2-CG 3.99Å; F31-Q160 HydrophobicContact CZ-CB 4.5Å; F31-Q160 HydrophobicContact CZ-CG 3.74Å; F31-Q163 HydrophobicContact CE1-CB 4.38Å
32D97.2Very high97.8Very high66 Ų6639.7 Ų39.735%0.35321%0.214SC..EExtended strand (participates in β ladder)trans-7694.8163.7-17811.8000108.2R7 V8R7-D32 WeakPolarHBondContact CA-O 3.24Å; R7-D32 WeakPolarHBondContact CD-OD2 3.31Å; R7-D32 HydrophobicContact CG-CB 4.24Å; R7-D32 WeakPolarHBondContact CG-OD2 3.45Å; R7-D32 IonicContact CZ-OD2 3.21Å; R7-D32 IonicContact NE-OD2 2.65Å; R7-D32 PolarHBondContact NE-OD2 2.88Å; R7-D32 IonicContact NH2-OD2 3.48Å; V8-D32 PolarHBondContact N-O 3.3Å
33V98.4Very high97.8Very high13 Ų1345.4 Ų45.48%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-118.9135.7-172.663.50000112.5V8 V10 L26 F31V8-V33 CarbonylContact O-C 3.52Å; V8-V33 VanDerWaalsContact O-CA 3.29Å; V8-V33 WeakPolarHBondContact O-CA 3.44Å; V10-V33 HydrophobicContact CG2-CG2 4.32Å; L26-V33 HydrophobicContact CB-CB 4.05Å; L26-V33 HydrophobicContact CB-CG1 3.94Å; L26-V33 HydrophobicContact CB-CG2 4.07Å; L26-V33 HydrophobicContact CD1-CB 4.45Å; L26-V33 HydrophobicContact CD1-CG2 3.76Å; F31-V33 PolarHBondContact O-N 3.17Å; F31-V33 VanDerWaalsContact O-N 3.13Å
34R98.8Very high97.8Very high56 Ų5644.7 Ų44.721%0.21124%0.235CC..EExtended strand (participates in β ladder)trans-120.3163.2163.4-63.1-163.763.4-170.3-4.8110.6V8 A9 V10 F36 E96 D103 F105V8-R34 PolarHBondContact O-N 3.3Å; A9-R34 CarbonylContact C-O 3.56Å; A9-R34 WeakPolarHBondContact CA-O 3.27Å; V10-R34 PolarHBondContact N-O 3.45Å; R34-F36 HydrophobicContact CB-CE2 3.63Å; R34-F36 HydrophobicContact CB-CZ 3.77Å; R34-E96 IonicContact CZ-OE1 2.59Å; R34-E96 VanDerWaalsContact NH2-CD 3.34Å; R34-E96 IonicContact NH2-OE1 3.83Å; R34-E96 PolarHBondContact NH2-OE1 2.73Å; R34-E96 IonicContact NH2-OE2 2.82Å; R34-E96 PolarHBondContact NH2-OE2 2.59Å; R34-D103 WeakPolarHBondContact CD-OD2 3.44Å; R34-D103 IonicContact CZ-OD2 3.48Å; R34-D103 IonicContact NE-OD2 2.8Å; R34-D103 IonicContact NH1-OD1 3.68Å; R34-D103 PolarHBondContact NH1-OD1 3.06Å; R34-D103 IonicContact NH1-OD2 2.79Å; R34-D103 PolarHBondContact NH1-OD2 3.33Å; R34-F105 HydrophobicContact CB-CE1 3.85Å; R34-F105 HydrophobicContact CB-CZ 4.06Å; R34-F105 HydrophobicContact CG-CE1 4.02Å; R34-F105 HydrophobicContact CG-CZ 4.4Å
35S98.8Very high97.7Very high0 Ų047.3 Ų47.30%025%0.254CS..EExtended strand (participates in β ladder)trans-138.8144.5179.461.10000113.4V10 N15 M20 H23 K92V10-S35 CarbonylContact O-C 3.54Å; V10-S35 WeakPolarHBondContact O-CA 3.46Å; V10-S35 WeakPolarHBondContact O-CB 3.33Å; N15-S35 PolarHBondContact ND2-O 3.25Å; N15-S35 PolarHBondContact OD1-OG 3.07Å; M20-S35 PolarHBondContact SD-OG 2.98Å; H23-S35 WeakPolarHBondContact ND1-CB 3.44Å; H23-S35 PolarHBondContact ND1-OG 2.62Å; S35-K92 PolarHBondContact O-NZ 3.3Å; S35-K92 PolarHBondContact OG-NZ 3.21Å
36F98.9Very high97.6Very high1 Ų147.3 Ų47.30%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-138.5167.6-171.7-56.6-80.9000113.7A9 V10 V11 C12 N15 S19 R34 E96 F98 C101 F105A9-F36 HydrophobicContact CB-CD2 4.1Å; A9-F36 HydrophobicContact CB-CE2 3.97Å; V10-F36 PolarHBondContact O-N 3.04Å; V11-F36 HydrophobicContact CG1-CB 4.14Å; V11-F36 HydrophobicContact CG2-CB 4.27Å; V11-F36 HydrophobicContact CG2-CD2 4.48Å; C12-F36 PolarHBondContact N-O 3.47Å; N15-F36 VanDerWaalsContact CG-C 3.48Å; N15-F36 WeakPolarHBondContact ND2-CA 2.9Å; N15-F36 PolarHBondContact ND2-N 3.26Å; S19-F36 PolarHBondContact OG-O 3.39Å; R34-F36 HydrophobicContact CB-CE2 3.63Å; R34-F36 HydrophobicContact CB-CZ 3.77Å; F36-E96 CarbonylContact C-O 3.48Å; F36-E96 WeakPolarHBondContact CA-O 3.29Å; F36-E96 HydrophobicContact CD1-CB 3.77Å; F36-E96 HydrophobicContact CE1-CB 4.04Å; F36-F98 HydrophobicContact CB-CB 3.74Å; F36-F98 HydrophobicContact CB-CD2 3.97Å; F36-F98 HydrophobicContact CB-CG 4.37Å; F36-F98 AromaticContact CD2-CD2 3.86Å; F36-F98 HydrophobicContact CD2-CD2 3.86Å; F36-F98 HydrophobicContact CD2-CE2 4.49Å; F36-F98 HydrophobicContact CG-CB 4.3Å; F36-F98 AromaticContact CG-CD2 3.95Å; F36-F98 HydrophobicContact CG-CD2 3.95Å; F36-C101 HydrophobicContact CD1-CB 4.28Å; F36-C101 HydrophobicContact CE1-CB 3.7Å; F36-C101 HydrophobicContact CZ-CB 4.12Å; F36-C101 VanDerWaalsContact CZ-SG 3.58Å; F36-F105 HydrophobicContact CE2-CE1 4.41Å; F36-F105 AromaticContact CE2-CE2 3.88Å; F36-F105 HydrophobicContact CE2-CE2 3.88Å; F36-F105 AromaticContact CE2-CZ 3.54Å; F36-F105 HydrophobicContact CE2-CZ 3.54Å; F36-F105 HydrophobicContact CZ-CE2 4.28Å; F36-F105 AromaticContact CZ-CZ 3.79Å; F36-F105 HydrophobicContact CZ-CZ 3.79Å
37G98.8Very high97.5Very high0 Ų051.6 Ų51.60%029%0.285CS..EExtended strand (participates in β ladder)trans-120.2140.6170.400000110C12 S13 E96 R97 F98C12-G37 CarbonylContact O-C 3.12Å; C12-G37 WeakPolarHBondContact O-CA 3.38Å; S13-G37 CarbonylContact O-C 3.5Å; S13-G37 WeakPolarHBondContact O-CA 3.25Å; G37-E96 PolarHBondContact N-O 3.28Å; G37-R97 CarbonylContact O-C 3.44Å; G37-R97 VanDerWaalsContact O-CA 3.25Å; G37-R97 WeakPolarHBondContact O-CA 3.35Å; G37-F98 PolarHBondContact O-N 2.96Å
38T98.7Very high97.4Very high2 Ų250 Ų501%0.01228%0.276CS..  trans-96.4-16171.752.10000113.6V11 C12 S13 F98 Q99 V115 Q118 V119V11-T38 HydrophobicContact CG1-CG2 3.68Å; C12-T38 PolarHBondContact O-N 3.42Å; S13-T38 PolarHBondContact O-N 3.01Å; T38-F98 HydrophobicContact CG2-CB 4.34Å; T38-Q99 PolarHBondContact O-NE2 3.27Å; T38-V115 HydrophobicContact CG2-CG1 3.84Å; T38-Q118 HydrophobicContact CG2-CB 3.94Å; T38-Q118 PolarHBondContact OG1-OE1 3.44Å; T38-V119 HydrophobicContact CG2-CG2 3.86Å
39G97.8Very high97.1Very high6 Ų649.2 Ų49.26%0.06229%0.287CS..SBendtrans-56.8157.1-177.800000112.8S13 H41 F57 R97S13-G39 PolarHBondContact O-N 3.3Å; G39-H41 VanDerWaalsContact C-N 3.28Å; G39-F57 WeakPolarHBondContact O-CE2 3.42Å; G39-R97 PolarHBondContact O-NE 3.05Å
40S97.1Very high97.1Very high82 Ų8247.6 Ų47.657%0.57329%0.29SS*.SBendtrans-69.3-31.2172.758.80000112.2
41H98Very high97.2Very high84 Ų8450.5 Ų50.539%0.38928%0.284SS..SBendtrans-140.4157.8179-62.677.9000109.7G39 V54G39-H41 VanDerWaalsContact C-N 3.28Å; H41-V54 HydrophobicContact CB-CG1 3.6Å
42V98.3Very high97.3Very high0 Ų052.4 Ų52.40%030%0.298CS..EExtended strand (participates in β ladder)trans-78.3123170.7177.70000108.1Q16 V54 Y55 F57 M64 P95Q16-V42 HydrophobicContact CG-CG1 3.78Å; V42-V54 WeakPolarHBondContact O-CA 3.27Å; V42-Y55 PolarHBondContact N-O 3.29Å; V42-Y55 PolarHBondContact O-N 3.24Å; V42-F57 HydrophobicContact CG2-CD1 3.84Å; V42-F57 HydrophobicContact CG2-CD2 4.06Å; V42-F57 HydrophobicContact CG2-CE1 3.89Å; V42-F57 HydrophobicContact CG2-CE2 4.07Å; V42-F57 HydrophobicContact CG2-CG 3.94Å; V42-F57 HydrophobicContact CG2-CZ 4Å; V42-M64 HydrophobicContact CB-CE 4.27Å; V42-M64 HydrophobicContact CG1-CE 3.93Å; V42-M64 HydrophobicContact CG1-SD 4.16Å; V42-M64 HydrophobicContact CG2-CE 4.35Å; V42-P95 HydrophobicContact CG2-CB 3.98Å; V42-P95 HydrophobicContact CG2-CG 3.55Å
43K97.9Very high97.3Very high120 Ų12049.9 Ų49.952%0.52228%0.284SS..EExtended strand (participates in β ladder)trans-116.1132.5177.2-60.6-175.8-179.2-178.10110.6S14 N53 V54S14-K43 PolarHBondContact OG-N 3.42Å; S14-K43 PolarHBondContact OG-O 3.44Å; K43-N53 WeakPolarHBondContact CA-O 3.38Å; K43-V54 HydrophobicContact CG-CG2 4.36Å
44L97.7Very high97.3Very high6 Ų652.7 Ų52.73%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-122.1148.1171.1-71170.2000109.5Q16 N53 Y55 M64 L68 I81 L85Q16-L44 HydrophobicContact CB-CD2 4.11Å; Q16-L44 HydrophobicContact CG-CD2 3.8Å; Q16-L44 HydrophobicContact CG-CG 4.39Å; L44-N53 HydrophobicContact CB-CB 4.25Å; L44-N53 PolarHBondContact N-O 3.43Å; L44-N53 PolarHBondContact O-N 3.11Å; L44-Y55 HydrophobicContact CD1-CE2 4.09Å; L44-M64 HydrophobicContact CD1-SD 4.48Å; L44-L68 HydrophobicContact CD1-CD1 4.12Å; L44-I81 HydrophobicContact CD1-CG2 4.18Å; L44-I81 HydrophobicContact CD2-CG2 4.29Å; L44-L85 HydrophobicContact CD1-CD1 4.18Å; L44-L85 HydrophobicContact CD1-CD2 4.2Å
45P97.2Very high97.3Very high83 Ų8351.3 Ų51.354%0.53930%0.296SS..  trans-54.8146172.8-22.430.6000111.9N53 I81P45-N53 PolarHBondContact O-ND2 2.94Å; P45-I81 HydrophobicContact CB-CD1 3.88Å; P45-I81 HydrophobicContact CG-CD1 3.93Å
46G96.9Very high97.3Very high15 Ų1554.9 Ų54.916%0.15532%0.316CS..  trans-121.2-161.2172.900000111.6A48 K51G46-A48 PolarHBondContact O-N 2.97Å; G46-K51 WeakPolarHBondContact CA-O 3.36Å
47P95.6Very high97.3Very high90 Ų9055.9 Ų55.958%0.58432%0.32SS*.SBendtrans-69.5-16.7-175.828.2-35.4000113.8K51 L75P47-K51 HydrophobicContact CG-CB 4.46Å; P47-L75 HydrophobicContact CB-CD2 3.99Å
48A94.8Very high97.2Very high31 Ų3163.9 Ų63.926%0.25636%0.355SS..SBendtrans-146.9156.7176.600000110.5G46 D50 K51G46-A48 PolarHBondContact O-N 2.97Å; A48-D50 WeakPolarHBondContact CB-OD1 3.38Å; A48-D50 PolarHBondContact O-N 2.92Å; A48-K51 HydrophobicContact CB-CB 4.43Å; A48-K51 HydrophobicContact CB-CD 4.45Å; A48-K51 HydrophobicContact CB-CG 4.49Å; A48-K51 CarbonylContact O-C 3.53Å; A48-K51 PolarHBondContact O-N 3.02Å
49P92.1Very high97.2Very high139 Ų13965.2 Ų65.290%0.90336%0.363SS*.THydrogen-bonded Turntrans-57.8-32.4-178.3-26.235.4000114.5K51P49-K51 VanDerWaalsContact C-N 3.32Å
50D95.6Very high97.3Very high123 Ų12366.5 Ų66.566%0.65837%0.369SS*.THydrogen-bonded Turntrans-83.8-4.3178.366.1-45.1000113.5A48 P52A48-D50 WeakPolarHBondContact CB-OD1 3.38Å; A48-D50 PolarHBondContact O-N 2.92Å; D50-P52 WeakPolarHBondContact O-CD 3.33Å
51K96.7Very high97.4Very high126 Ų12662.6 Ų62.655%0.54834%0.342SS..  trans-122.759.9-176.4-64-179.5-176.4175.70112.3G46 P47 A48 P49G46-K51 WeakPolarHBondContact CA-O 3.36Å; P47-K51 HydrophobicContact CG-CB 4.46Å; A48-K51 HydrophobicContact CB-CB 4.43Å; A48-K51 HydrophobicContact CB-CD 4.45Å; A48-K51 HydrophobicContact CB-CG 4.49Å; A48-K51 CarbonylContact O-C 3.53Å; A48-K51 PolarHBondContact O-N 3.02Å; P49-K51 VanDerWaalsContact C-N 3.32Å
52P97.6Very high97.4Very high58 Ų5864.1 Ų64.138%0.37735%0.349SS..  trans-68.8153.2176.431.3-35.7000111.5D50 V54D50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-V54 HydrophobicContact CB-CG2 4.34Å; P52-V54 HydrophobicContact CG-CG2 4.02Å
53N98.4Very high97.4Very high13 Ų1369.2 Ų69.27%0.0737%0.373CS..EExtended strand (participates in β ladder)trans-82.5119.9165.5-65.9-75.3000108.7K43 L44 P45 Y55 L68 K71 Y76K43-N53 WeakPolarHBondContact CA-O 3.38Å; L44-N53 HydrophobicContact CB-CB 4.25Å; L44-N53 PolarHBondContact N-O 3.43Å; L44-N53 PolarHBondContact O-N 3.11Å; P45-N53 PolarHBondContact O-ND2 2.94Å; N53-Y55 HydrophobicContact CB-CE2 3.63Å; N53-L68 HydrophobicContact CB-CD2 4.2Å; N53-K71 PolarHBondContact OD1-NZ 2.88Å; N53-Y76 WeakPolarHBondContact ND2-CE1 2.98Å; N53-Y76 PolarHBondContact ND2-OH 2.96Å
54V98.5Very high97.5Very high72 Ų7263.5 Ų63.544%0.43635%0.349SS..EExtended strand (participates in β ladder)trans-116.9130.5-175.4-173.10000109.7H41 V42 K43 P52H41-V54 HydrophobicContact CB-CG1 3.6Å; V42-V54 WeakPolarHBondContact O-CA 3.27Å; K43-V54 HydrophobicContact CG-CG2 4.36Å; P52-V54 HydrophobicContact CB-CG2 4.34Å; P52-V54 HydrophobicContact CG-CG2 4.02Å
55Y98.7Very high97.5Very high26 Ų2666.1 Ų66.110%0.10236%0.358CS..EExtended strand (participates in β ladder)trans-133.5151.9-178.9-53-86000111.3V42 L44 N53 T59 M64 D67 L68V42-Y55 PolarHBondContact N-O 3.29Å; V42-Y55 PolarHBondContact O-N 3.24Å; L44-Y55 HydrophobicContact CD1-CE2 4.09Å; N53-Y55 HydrophobicContact CB-CE2 3.63Å; Y55-T59 HydrophobicContact CD1-CG2 4.2Å; Y55-M64 HydrophobicContact CD1-CG 4.13Å; Y55-M64 HydrophobicContact CD2-CE 4.31Å; Y55-M64 HydrophobicContact CD2-CG 4Å; Y55-M64 HydrophobicContact CD2-SD 4.09Å; Y55-M64 HydrophobicContact CE1-CG 4.27Å; Y55-M64 HydrophobicContact CE2-CG 4.15Å; Y55-M64 HydrophobicContact CG-CE 4.09Å; Y55-M64 HydrophobicContact CG-CG 3.99Å; Y55-M64 HydrophobicContact CG-SD 4.35Å; Y55-D67 HydrophobicContact CE1-CB 4.49Å; Y55-D67 WeakPolarHBondContact CE1-OD2 3.42Å; Y55-D67 PolarHBondContact OH-OD2 3.13Å; Y55-L68 VanDerWaalsContact OH-CD2 3.26Å; Y55-L68 WeakPolarHBondContact OH-CD2 3.44Å
56D98.5Very high97.6Very high76 Ų7665.3 Ų65.341%0.40635%0.35SS..  trans-73.1147.5166.9-172.8-77.5000110.2K58 T59D56-K58 PolarHBondContact O-N 3.23Å; D56-K58 VanDerWaalsContact O-N 3.1Å; D56-K58 WeakPolarHBondContact OD1-CB 3.26Å; D56-K58 WeakPolarHBondContact OD1-CD 3.27Å; D56-K58 WeakPolarHBondContact OD1-CG 3.37Å; D56-K58 PolarHBondContact OD1-N 3.39Å; D56-T59 WeakPolarHBondContact O-CB 3.49Å; D56-T59 PolarHBondContact O-N 3.29Å; D56-T59 PolarHBondContact O-OG1 3.09Å
57F98.3Very high97.7Very high22 Ų2267 Ų6710%0.09636%0.355CS..THydrogen-bonded Turntrans-60.3-17.5177.5-82.1-93.2000113.8G39 V42 T59 P95 R97G39-F57 WeakPolarHBondContact O-CE2 3.42Å; V42-F57 HydrophobicContact CG2-CD1 3.84Å; V42-F57 HydrophobicContact CG2-CD2 4.06Å; V42-F57 HydrophobicContact CG2-CE1 3.89Å; V42-F57 HydrophobicContact CG2-CE2 4.07Å; V42-F57 HydrophobicContact CG2-CG 3.94Å; V42-F57 HydrophobicContact CG2-CZ 4Å; F57-T59 PolarHBondContact O-N 2.59Å; F57-P95 HydrophobicContact CD1-CB 4Å; F57-P95 HydrophobicContact CD1-CG 4.35Å; F57-P95 HydrophobicContact CE1-CB 4.25Å; F57-P95 VanDerWaalsContact O-O 3.08Å; F57-R97 HydrophobicContact CD1-CB 3.9Å; F57-R97 HydrophobicContact CD2-CB 4.19Å; F57-R97 HydrophobicContact CE1-CB 4.03Å; F57-R97 HydrophobicContact CE2-CB 4.33Å; F57-R97 HydrophobicContact CE2-CG 4.41Å; F57-R97 HydrophobicContact CG-CB 3.98Å; F57-R97 HydrophobicContact CZ-CB 4.24Å; F57-R97 HydrophobicContact CZ-CG 4.44Å
58K97.9Very high97.8Very high167 Ų16762.7 Ų62.773%0.72633%0.327SS*.THydrogen-bonded Turntrans-68.2-20.3171.7-66.7167.2-173.71740112.9D56D56-K58 PolarHBondContact O-N 3.23Å; D56-K58 VanDerWaalsContact O-N 3.1Å; D56-K58 WeakPolarHBondContact OD1-CB 3.26Å; D56-K58 WeakPolarHBondContact OD1-CD 3.27Å; D56-K58 WeakPolarHBondContact OD1-CG 3.37Å; D56-K58 PolarHBondContact OD1-N 3.39Å
59T98.6Very high98Very high30 Ų3063.4 Ų63.418%0.18433%0.328CS..SBendtrans-72.3129.5-178.1-45.60000110.4Y55 D56 F57 Q63 M64 P95Y55-T59 HydrophobicContact CD1-CG2 4.2Å; D56-T59 WeakPolarHBondContact O-CB 3.49Å; D56-T59 PolarHBondContact O-N 3.29Å; D56-T59 PolarHBondContact O-OG1 3.09Å; F57-T59 PolarHBondContact O-N 2.59Å; T59-Q63 HydrophobicContact CG2-CB 3.78Å; T59-M64 HydrophobicContact CG2-CE 4Å; T59-M64 HydrophobicContact CG2-CG 3.88Å; T59-M64 WeakPolarHBondContact O-CE 3.39Å; T59-P95 WeakPolarHBondContact O-CD 3.4Å
60T98.8Very high98.3Very high33 Ų3366.9 Ų66.920%0.20232%0.323CS..  trans-73.8155.2176.560.90000112E62 Q63 M64 S93 R94T60-E62 PolarHBondContact O-N 3.28Å; T60-Q63 PolarHBondContact O-N 3.46Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.43Å; T60-Q63 VanDerWaalsContact OG1-CD 3.25Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.45Å; T60-Q63 PolarHBondContact OG1-N 3.22Å; T60-Q63 VanDerWaalsContact OG1-N 3.12Å; T60-Q63 PolarHBondContact OG1-OE1 3.39Å; T60-M64 WeakPolarHBondContact O-CG 3.28Å; T60-M64 PolarHBondContact O-N 2.99Å; T60-S93 VanDerWaalsContact CA-O 3.31Å; T60-S93 WeakPolarHBondContact CA-O 3.21Å; T60-S93 VanDerWaalsContact CB-O 3.24Å; T60-S93 WeakPolarHBondContact CB-O 3.48Å; T60-R94 HydrophobicContact CG2-CB 4.41Å
61Y98.8Very high98.4Very high0 Ų066.2 Ų66.20%032%0.315CS..Hα-helixtrans-62.2-30.7174.3-64.3-68.6000112N15 M20 M64 Y65 L85 N88 K92 S93 P95N15-Y61 PolarHBondContact O-OH 2.91Å; M20-Y61 HydrophobicContact CE-CE2 4.28Å; Y61-M64 HydrophobicContact CD1-SD 4.43Å; Y61-M64 PolarHBondContact O-N 2.89Å; Y61-Y65 WeakPolarHBondContact O-CB 3.39Å; Y61-Y65 PolarHBondContact O-N 3.41Å; Y61-L85 HydrophobicContact CD1-CD2 3.84Å; Y61-N88 HydrophobicContact CD1-CB 3.61Å; Y61-N88 HydrophobicContact CD2-CB 3.82Å; Y61-N88 HydrophobicContact CE1-CB 3.69Å; Y61-N88 HydrophobicContact CE2-CB 3.89Å; Y61-N88 HydrophobicContact CG-CB 3.67Å; Y61-K92 VanDerWaalsContact CD2-O 3.27Å; Y61-K92 WeakPolarHBondContact CD2-O 3.34Å; Y61-K92 HydrophobicContact CE2-CG 3.89Å; Y61-S93 PolarHBondContact N-O 3.45Å; Y61-P95 HydrophobicContact CE1-CB 4.11Å; Y61-P95 HydrophobicContact CE1-CG 4.19Å; Y61-P95 VanDerWaalsContact OH-CA 3.3Å; Y61-P95 WeakPolarHBondContact OH-CA 3.38Å
62E98.8Very high98.5Very high116 Ų11663.6 Ų63.654%0.54231%0.307SS..Hα-helixtrans-66.3-42.7174-179.7171.9-155.600112.3T60 Y65 N66T60-E62 PolarHBondContact O-N 3.28Å; E62-Y65 PolarHBondContact O-N 3.35Å; E62-N66 WeakPolarHBondContact O-CB 3.41Å; E62-N66 PolarHBondContact O-N 3.08Å; E62-N66 PolarHBondContact O-ND2 3.26Å
63Q98.8Very high98.5Very high108 Ų10866.9 Ų66.951%0.50532%0.315SS..Hα-helixtrans-62.1-43.7174.1-76.5164.2-3800111.5T59 T60 N66 D67T59-Q63 HydrophobicContact CG2-CB 3.78Å; T60-Q63 PolarHBondContact O-N 3.46Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.43Å; T60-Q63 VanDerWaalsContact OG1-CD 3.25Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.45Å; T60-Q63 PolarHBondContact OG1-N 3.22Å; T60-Q63 VanDerWaalsContact OG1-N 3.12Å; T60-Q63 PolarHBondContact OG1-OE1 3.39Å; Q63-N66 PolarHBondContact O-N 2.83Å; Q63-D67 WeakPolarHBondContact O-CB 3.29Å; Q63-D67 PolarHBondContact O-N 2.98Å
64M98.8Very high98.5Very high0 Ų073.2 Ų73.20%034%0.344CS..Hα-helixtrans-60.7-45.9175-64176.9-166.900111.3Q16 V42 L44 Y55 T59 T60 Y61 N66 D67 L68 L85 P95Q16-M64 PolarHBondContact NE2-SD 2.94Å; V42-M64 HydrophobicContact CB-CE 4.27Å; V42-M64 HydrophobicContact CG1-CE 3.93Å; V42-M64 HydrophobicContact CG1-SD 4.16Å; V42-M64 HydrophobicContact CG2-CE 4.35Å; L44-M64 HydrophobicContact CD1-SD 4.48Å; Y55-M64 HydrophobicContact CD1-CG 4.13Å; Y55-M64 HydrophobicContact CD2-CE 4.31Å; Y55-M64 HydrophobicContact CD2-CG 4Å; Y55-M64 HydrophobicContact CD2-SD 4.09Å; Y55-M64 HydrophobicContact CE1-CG 4.27Å; Y55-M64 HydrophobicContact CE2-CG 4.15Å; Y55-M64 HydrophobicContact CG-CE 4.09Å; Y55-M64 HydrophobicContact CG-CG 3.99Å; Y55-M64 HydrophobicContact CG-SD 4.35Å; T59-M64 HydrophobicContact CG2-CE 4Å; T59-M64 HydrophobicContact CG2-CG 3.88Å; T59-M64 WeakPolarHBondContact O-CE 3.39Å; T60-M64 WeakPolarHBondContact O-CG 3.28Å; T60-M64 PolarHBondContact O-N 2.99Å; Y61-M64 HydrophobicContact CD1-SD 4.43Å; Y61-M64 PolarHBondContact O-N 2.89Å; M64-N66 PolarHBondContact O-N 2.82Å; M64-D67 PolarHBondContact O-N 3.23Å; M64-L68 WeakPolarHBondContact O-CG 3.28Å; M64-L68 PolarHBondContact O-N 3.21Å; M64-L85 HydrophobicContact CB-CD1 4.04Å; M64-L85 HydrophobicContact CB-CD2 4.07Å; M64-L85 HydrophobicContact SD-CD2 4.27Å; M64-P95 HydrophobicContact CE-CG 3.83Å
65Y98.8Very high98.5Very high60 Ų6072 Ų7224%0.23534%0.335CS..Hα-helixtrans-57-50.5178.1-178.1-81.9000111.2Y61 E62 D67 L68 V69 L82 L85 D86Y61-Y65 WeakPolarHBondContact O-CB 3.39Å; Y61-Y65 PolarHBondContact O-N 3.41Å; E62-Y65 PolarHBondContact O-N 3.35Å; Y65-D67 VanDerWaalsContact C-N 3.34Å; Y65-D67 PolarHBondContact O-N 3.18Å; Y65-L68 PolarHBondContact O-N 3.1Å; Y65-V69 HydrophobicContact CD1-CG2 3.95Å; Y65-V69 HydrophobicContact CE1-CG2 3.6Å; Y65-V69 VanDerWaalsContact O-CG2 3.32Å; Y65-V69 WeakPolarHBondContact O-CG2 3.43Å; Y65-V69 PolarHBondContact O-N 2.85Å; Y65-L82 HydrophobicContact CD2-CB 4.3Å; Y65-L82 HydrophobicContact CD2-CD2 3.92Å; Y65-L82 WeakPolarHBondContact CD2-O 3.49Å; Y65-L82 HydrophobicContact CE2-CB 3.81Å; Y65-L82 HydrophobicContact CE2-CD2 4.03Å; Y65-L82 HydrophobicContact CE2-CG 4.39Å; Y65-L82 WeakPolarHBondContact CE2-O 3.21Å; Y65-L82 HydrophobicContact CG-CD2 4.31Å; Y65-L85 HydrophobicContact CD2-CB 4.05Å; Y65-D86 HydrophobicContact CE2-CB 4.35Å
66N98.8Very high98.5Very high67 Ų6771 Ų7136%0.35833%0.331SS..Hα-helixtrans-65.6-36-179.1-71.6-33.1000112.6E62 Q63 M64 R70E62-N66 WeakPolarHBondContact O-CB 3.41Å; E62-N66 PolarHBondContact O-N 3.08Å; E62-N66 PolarHBondContact O-ND2 3.26Å; Q63-N66 PolarHBondContact O-N 2.83Å; M64-N66 PolarHBondContact O-N 2.82Å; N66-R70 VanDerWaalsContact O-CG 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.18Å; N66-R70 PolarHBondContact O-N 2.7Å; N66-R70 VanDerWaalsContact O-N 3.14Å
67D98.8Very high98.5Very high49 Ų4971.2 Ų71.226%0.26234%0.335SS..Hα-helixtrans-63.3-48.4173.9177.157.4000111.5Y55 Q63 M64 Y65 V69 R70 K71Y55-D67 HydrophobicContact CE1-CB 4.49Å; Y55-D67 WeakPolarHBondContact CE1-OD2 3.42Å; Y55-D67 PolarHBondContact OH-OD2 3.13Å; Q63-D67 WeakPolarHBondContact O-CB 3.29Å; Q63-D67 PolarHBondContact O-N 2.98Å; M64-D67 PolarHBondContact O-N 3.23Å; Y65-D67 VanDerWaalsContact C-N 3.34Å; Y65-D67 PolarHBondContact O-N 3.18Å; D67-V69 PolarHBondContact O-N 3.04Å; D67-R70 PolarHBondContact O-N 2.88Å; D67-K71 WeakPolarHBondContact O-CG 3.33Å; D67-K71 PolarHBondContact O-N 3.17Å; D67-K71 WeakPolarHBondContact OD1-CE 3.3Å; D67-K71 IonicContact OD1-NZ 3.71Å; D67-K71 VanDerWaalsContact OD2-CE 3.25Å; D67-K71 WeakPolarHBondContact OD2-CE 3.17Å; D67-K71 IonicContact OD2-NZ 3.87Å; D67-K71 PolarHBondContact OD2-NZ 2.93Å
68L98.6Very high98.5Very high0 Ų077.9 Ų77.90%037%0.367CS..Hα-helixtrans-66.2-39179.8-66.1-169.9000112.5L44 N53 Y55 M64 Y65 R70 K71 D72 Y76 I81 L82 L85L44-L68 HydrophobicContact CD1-CD1 4.12Å; N53-L68 HydrophobicContact CB-CD2 4.2Å; Y55-L68 VanDerWaalsContact OH-CD2 3.26Å; Y55-L68 WeakPolarHBondContact OH-CD2 3.44Å; M64-L68 WeakPolarHBondContact O-CG 3.28Å; M64-L68 PolarHBondContact O-N 3.21Å; Y65-L68 PolarHBondContact O-N 3.1Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 2.86Å; L68-K71 HydrophobicContact CD2-CD 4.27Å; L68-K71 PolarHBondContact O-N 3.42Å; L68-D72 CarbonylContact O-C 3.54Å; L68-D72 PolarHBondContact O-N 3.42Å; L68-Y76 HydrophobicContact CB-CD2 3.65Å; L68-Y76 HydrophobicContact CB-CE2 4.13Å; L68-Y76 HydrophobicContact CB-CG 3.93Å; L68-Y76 HydrophobicContact CD1-CD1 4Å; L68-Y76 HydrophobicContact CD1-CE1 4.34Å; L68-Y76 HydrophobicContact CD1-CG 4.13Å; L68-Y76 HydrophobicContact CD2-CD1 4.34Å; L68-Y76 HydrophobicContact CD2-CD2 4.12Å; L68-Y76 HydrophobicContact CD2-CE1 3.98Å; L68-Y76 HydrophobicContact CD2-CE2 3.78Å; L68-Y76 HydrophobicContact CD2-CG 4.43Å; L68-Y76 HydrophobicContact CG-CD2 4.3Å; L68-Y76 HydrophobicContact CG-CE2 4.45Å; L68-Y76 HydrophobicContact CG-CG 4.39Å; L68-Y76 VanDerWaalsContact O-CD2 3.28Å; L68-Y76 WeakPolarHBondContact O-CD2 3.41Å; L68-I81 HydrophobicContact CD1-CG2 3.44Å; L68-I81 VanDerWaalsContact CD1-CG2 3.44Å; L68-L82 HydrophobicContact CB-CD2 3.83Å; L68-L85 HydrophobicContact CD1-CD1 3.75Å
69V98.5Very high98.4Very high46 Ų4672.5 Ų72.528%0.27935%0.346SS..Hα-helixtrans-58.8-40.6172.6168.70000111.5Y65 D67 K73 L82Y65-V69 HydrophobicContact CD1-CG2 3.95Å; Y65-V69 HydrophobicContact CE1-CG2 3.6Å; Y65-V69 VanDerWaalsContact O-CG2 3.32Å; Y65-V69 WeakPolarHBondContact O-CG2 3.43Å; Y65-V69 PolarHBondContact O-N 2.85Å; D67-V69 PolarHBondContact O-N 3.04Å; V69-K73 HydrophobicContact CG1-CB 4.46Å; V69-K73 HydrophobicContact CG1-CD 4.39Å; V69-K73 HydrophobicContact CG1-CG 4.47Å; V69-K73 PolarHBondContact O-N 2.67Å; V69-L82 HydrophobicContact CG2-CD1 3.76Å; V69-L82 HydrophobicContact CG2-CD2 3.84Å; V69-L82 HydrophobicContact CG2-CG 4.48Å
70R98.6Very high98.3Very high213 Ų21371.8 Ų71.880%0.80435%0.345SS*.Hα-helixtrans-70.9-34.4178-73.2172.6-172.8-179.13112.7N66 D67 L68N66-R70 VanDerWaalsContact O-CG 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.18Å; N66-R70 PolarHBondContact O-N 2.7Å; N66-R70 VanDerWaalsContact O-N 3.14Å; D67-R70 PolarHBondContact O-N 2.88Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 2.86Å
71K98.1Very high98.3Very high109 Ų10970.4 Ų70.447%0.47434%0.336SS..Hα-helixtrans-72.1-55.4179.7-77.7171.1173.1168.90112.1N53 D67 L68 Y76N53-K71 PolarHBondContact OD1-NZ 2.88Å; D67-K71 WeakPolarHBondContact O-CG 3.33Å; D67-K71 PolarHBondContact O-N 3.17Å; D67-K71 WeakPolarHBondContact OD1-CE 3.3Å; D67-K71 IonicContact OD1-NZ 3.71Å; D67-K71 VanDerWaalsContact OD2-CE 3.25Å; D67-K71 WeakPolarHBondContact OD2-CE 3.17Å; D67-K71 IonicContact OD2-NZ 3.87Å; D67-K71 PolarHBondContact OD2-NZ 2.93Å; L68-K71 HydrophobicContact CD2-CD 4.27Å; L68-K71 PolarHBondContact O-N 3.42Å; K71-Y76 HydrophobicContact CB-CE2 4.09Å
72D98.2Very high98.3Very high71 Ų7170.7 Ų70.738%0.3834%0.337SS..Hα-helixtrans-165.887.1-178.8-168.7-27.4000111L68 E74 L75 Y76L68-D72 CarbonylContact O-C 3.54Å; L68-D72 PolarHBondContact O-N 3.42Å; D72-E74 VanDerWaalsContact C-N 3.26Å; D72-E74 PolarHBondContact O-N 3.39Å; D72-E74 PolarHBondContact OD1-N 3.26Å; D72-L75 HydrophobicContact CB-CB 3.96Å; D72-L75 HydrophobicContact CB-CD2 4.45Å; D72-L75 WeakPolarHBondContact OD1-CB 3.37Å; D72-L75 PolarHBondContact OD1-N 3.45Å; D72-L75 WeakPolarHBondContact OD2-CB 3.3Å; D72-Y76 HydrophobicContact CB-CD2 4.23Å; D72-Y76 HydrophobicContact CB-CE2 4.02Å; D72-Y76 WeakPolarHBondContact O-CD2 3.45Å; D72-Y76 PolarHBondContact O-N 3.03Å
73K98.3Very high98.3Very high127 Ų12772.2 Ų72.255%0.55234%0.344SS*.Hα-helixtrans-58.1-37.6-178.6-175.2-179.2177.1-176.30112.8V69 T77 L82V69-K73 HydrophobicContact CG1-CB 4.46Å; V69-K73 HydrophobicContact CG1-CD 4.39Å; V69-K73 HydrophobicContact CG1-CG 4.47Å; V69-K73 PolarHBondContact O-N 2.67Å; K73-T77 VanDerWaalsContact O-CB 3.26Å; K73-T77 WeakPolarHBondContact O-CB 3.36Å; K73-T77 PolarHBondContact O-N 2.9Å; K73-T77 PolarHBondContact O-OG1 3.04Å; K73-L82 HydrophobicContact CG-CD1 4.27Å
74E98.3Very high98.2Very high145 Ų14567.6 Ų67.668%0.67832%0.323SS*.Hα-helixtrans-68.8-50.7-175.3-68.1-175.5-179.500110.6D72 Y76 T77 Q78D72-E74 VanDerWaalsContact C-N 3.26Å; D72-E74 PolarHBondContact O-N 3.39Å; D72-E74 PolarHBondContact OD1-N 3.26Å; E74-Y76 PolarHBondContact O-N 3.45Å; E74-T77 PolarHBondContact O-N 3.32Å; E74-Q78 WeakPolarHBondContact O-CG 3.42Å; E74-Q78 PolarHBondContact O-N 3.45Å
75L98.2Very high98.2Very high46 Ų4667.6 Ų67.624%0.24132%0.323CS..Hα-helixtrans-54.8-52.5177.3175.266.1000111.9P47 D72 T77 Q78 N79P47-L75 HydrophobicContact CB-CD2 3.99Å; D72-L75 HydrophobicContact CB-CB 3.96Å; D72-L75 HydrophobicContact CB-CD2 4.45Å; D72-L75 WeakPolarHBondContact OD1-CB 3.37Å; D72-L75 PolarHBondContact OD1-N 3.45Å; D72-L75 WeakPolarHBondContact OD2-CB 3.3Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 3.21Å; L75-Q78 PolarHBondContact O-N 3.21Å; L75-N79 VanDerWaalsContact O-CG 3.22Å; L75-N79 PolarHBondContact O-N 3.11Å; L75-N79 PolarHBondContact O-ND2 3.39Å; L75-N79 PolarHBondContact O-OD1 3.23Å
76Y98.5Very high98.2Very high6 Ų666.3 Ų66.32%0.02432%0.32CS..Hα-helixtrans-76.2-13.8-175.1-60.2-64.6000113.7N53 L68 K71 D72 E74 N79 I81 L82N53-Y76 WeakPolarHBondContact ND2-CE1 2.98Å; N53-Y76 PolarHBondContact ND2-OH 2.96Å; L68-Y76 HydrophobicContact CB-CD2 3.65Å; L68-Y76 HydrophobicContact CB-CE2 4.13Å; L68-Y76 HydrophobicContact CB-CG 3.93Å; L68-Y76 HydrophobicContact CD1-CD1 4Å; L68-Y76 HydrophobicContact CD1-CE1 4.34Å; L68-Y76 HydrophobicContact CD1-CG 4.13Å; L68-Y76 HydrophobicContact CD2-CD1 4.34Å; L68-Y76 HydrophobicContact CD2-CD2 4.12Å; L68-Y76 HydrophobicContact CD2-CE1 3.98Å; L68-Y76 HydrophobicContact CD2-CE2 3.78Å; L68-Y76 HydrophobicContact CD2-CG 4.43Å; L68-Y76 HydrophobicContact CG-CD2 4.3Å; L68-Y76 HydrophobicContact CG-CE2 4.45Å; L68-Y76 HydrophobicContact CG-CG 4.39Å; L68-Y76 VanDerWaalsContact O-CD2 3.28Å; L68-Y76 WeakPolarHBondContact O-CD2 3.41Å; 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 3.45Å; D72-Y76 PolarHBondContact O-N 3.03Å; E74-Y76 PolarHBondContact O-N 3.45Å; Y76-N79 VanDerWaalsContact CA-OD1 3.29Å; Y76-N79 WeakPolarHBondContact CA-OD1 3.48Å; Y76-N79 PolarHBondContact O-OD1 2.92Å; Y76-I81 HydrophobicContact CD1-CB 4.45Å; Y76-I81 HydrophobicContact CD1-CD1 4.07Å; Y76-I81 PolarHBondContact O-N 3.08Å; Y76-L82 WeakPolarHBondContact O-CG 3.17Å; Y76-L82 PolarHBondContact O-N 3.33Å
77T97.9Very high98.2Very high81 Ų8164.6 Ų64.650%0.49731%0.308SS..Hα-helixtrans-78.1-48.7166.2-58.20000110.2K73 E74 L75 N79 G80K73-T77 VanDerWaalsContact O-CB 3.26Å; K73-T77 WeakPolarHBondContact O-CB 3.36Å; K73-T77 PolarHBondContact O-N 2.9Å; K73-T77 PolarHBondContact O-OG1 3.04Å; E74-T77 PolarHBondContact O-N 3.32Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 3.21Å; T77-N79 PolarHBondContact O-N 2.8Å; T77-G80 PolarHBondContact O-N 3.49Å
78Q97.6Very high98.2Very high162 Ų16262.3 Ų62.376%0.75730%0.296SS*.Hα-helixtrans-62.9-39.5-176.4-74176.64.200112.9E74 L75 G80E74-Q78 WeakPolarHBondContact O-CG 3.42Å; E74-Q78 PolarHBondContact O-N 3.45Å; L75-Q78 PolarHBondContact O-N 3.21Å; Q78-G80 VanDerWaalsContact C-N 3.26Å; Q78-G80 PolarHBondContact O-N 3.12Å
79N96Very high98.2Very high53 Ų5365.8 Ų65.828%0.28331%0.311SS..THydrogen-bonded Turntrans-83.30.7176.669.519.9000113.9L75 Y76 T77 I81 H145L75-N79 VanDerWaalsContact O-CG 3.22Å; L75-N79 PolarHBondContact O-N 3.11Å; L75-N79 PolarHBondContact O-ND2 3.39Å; L75-N79 PolarHBondContact O-OD1 3.23Å; Y76-N79 VanDerWaalsContact CA-OD1 3.29Å; Y76-N79 WeakPolarHBondContact CA-OD1 3.48Å; Y76-N79 PolarHBondContact O-OD1 2.92Å; T77-N79 PolarHBondContact O-N 2.8Å; N79-I81 VanDerWaalsContact C-N 3.32Å; N79-I81 PolarHBondContact O-N 2.95Å; N79-I81 WeakPolarHBondContact OD1-CB 3.44Å; N79-I81 VanDerWaalsContact OD1-CG1 3.28Å; N79-I81 WeakPolarHBondContact OD1-CG1 3.34Å; N79-I81 PolarHBondContact OD1-N 3.09Å; N79-I81 VanDerWaalsContact OD1-N 3.08Å; N79-H145 PolarHBondContact O-CE1 3.2Å; N79-H145 VanDerWaalsContact O-CE1 3.28Å
80G97.8Very high98.2Very high16 Ų1673 Ų7317%0.16533%0.333CS..SBendtrans772.1175.300000116.4T77 Q78 L82 H83 M84T77-G80 PolarHBondContact O-N 3.49Å; Q78-G80 VanDerWaalsContact C-N 3.26Å; Q78-G80 PolarHBondContact O-N 3.12Å; G80-L82 PolarHBondContact O-N 3.07Å; G80-H83 WeakPolarHBondContact O-CB 3.11Å; G80-H83 PolarHBondContact O-N 3.25Å; G80-M84 PolarHBondContact O-N 2.88Å
81I98.3Very high98.1Very high4 Ų465 Ų652%0.02131%0.306CS..Hα-helixtrans-63.6-39.7-178.4-69172.1000111.8L44 P45 L68 Y76 N79 H83 M84 L85L44-I81 HydrophobicContact CD1-CG2 4.18Å; L44-I81 HydrophobicContact CD2-CG2 4.29Å; P45-I81 HydrophobicContact CB-CD1 3.88Å; P45-I81 HydrophobicContact CG-CD1 3.93Å; L68-I81 HydrophobicContact CD1-CG2 3.44Å; L68-I81 VanDerWaalsContact CD1-CG2 3.44Å; Y76-I81 HydrophobicContact CD1-CB 4.45Å; Y76-I81 HydrophobicContact CD1-CD1 4.07Å; Y76-I81 PolarHBondContact O-N 3.08Å; N79-I81 VanDerWaalsContact C-N 3.32Å; N79-I81 PolarHBondContact O-N 2.95Å; N79-I81 WeakPolarHBondContact OD1-CB 3.44Å; N79-I81 VanDerWaalsContact OD1-CG1 3.28Å; N79-I81 WeakPolarHBondContact OD1-CG1 3.34Å; N79-I81 PolarHBondContact OD1-N 3.09Å; N79-I81 VanDerWaalsContact OD1-N 3.08Å; I81-H83 VanDerWaalsContact C-N 3.28Å; I81-H83 PolarHBondContact O-N 3.01Å; I81-M84 WeakPolarHBondContact O-CB 3.49Å; I81-M84 PolarHBondContact O-N 3.07Å; I81-L85 HydrophobicContact CG2-CD1 3.95Å; I81-L85 HydrophobicContact CG2-CG 4.29Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 3.36Å
82L98.6Very high98.2Very high6 Ų661.3 Ų61.33%0.03129%0.29CS..Hα-helixtrans-62.9-37.9177.1-68.3-176.6000111.8Y65 L68 V69 K73 Y76 G80 L85 D86Y65-L82 HydrophobicContact CD2-CB 4.3Å; Y65-L82 HydrophobicContact CD2-CD2 3.92Å; Y65-L82 WeakPolarHBondContact CD2-O 3.49Å; Y65-L82 HydrophobicContact CE2-CB 3.81Å; Y65-L82 HydrophobicContact CE2-CD2 4.03Å; Y65-L82 HydrophobicContact CE2-CG 4.39Å; Y65-L82 WeakPolarHBondContact CE2-O 3.21Å; Y65-L82 HydrophobicContact CG-CD2 4.31Å; L68-L82 HydrophobicContact CB-CD2 3.83Å; V69-L82 HydrophobicContact CG2-CD1 3.76Å; V69-L82 HydrophobicContact CG2-CD2 3.84Å; V69-L82 HydrophobicContact CG2-CG 4.48Å; K73-L82 HydrophobicContact CG-CD1 4.27Å; Y76-L82 WeakPolarHBondContact O-CG 3.17Å; Y76-L82 PolarHBondContact O-N 3.33Å; G80-L82 PolarHBondContact O-N 3.07Å; L82-L85 PolarHBondContact O-N 2.9Å; L82-D86 WeakPolarHBondContact O-CB 3.41Å; L82-D86 PolarHBondContact O-N 3.17Å
83H98.3Very high98.2Very high148 Ų14861.4 Ų61.469%0.68530%0.296SS*.Hα-helixtrans-65.8-43.4175-178.3-92.6000111.3G80 I81 L85 D86 R87G80-H83 WeakPolarHBondContact O-CB 3.11Å; G80-H83 PolarHBondContact O-N 3.25Å; I81-H83 VanDerWaalsContact C-N 3.28Å; I81-H83 PolarHBondContact O-N 3.01Å; H83-L85 PolarHBondContact O-N 3.4Å; H83-D86 PolarHBondContact O-N 3.42Å; H83-R87 PolarHBondContact O-N 2.64Å
84M98.4Very high98.2Very high11 Ų1161.2 Ų61.25%0.05429%0.292CS..Hα-helixtrans-58.8-45.7174.9-173.2-162.7-60.900112Q16 N17 G80 I81 D86 R87 N88 H145Q16-M84 HydrophobicContact CB-SD 4.14Å; N17-M84 HydrophobicContact CB-CE 3.84Å; N17-M84 HydrophobicContact CB-SD 3.95Å; G80-M84 PolarHBondContact O-N 2.88Å; I81-M84 WeakPolarHBondContact O-CB 3.49Å; I81-M84 PolarHBondContact O-N 3.07Å; M84-D86 VanDerWaalsContact C-N 3.34Å; M84-D86 PolarHBondContact O-N 2.9Å; M84-R87 VanDerWaalsContact CG-NH2 3.32Å; M84-R87 WeakPolarHBondContact O-CB 3.13Å; M84-R87 PolarHBondContact O-N 3.44Å; M84-N88 PolarHBondContact O-N 2.78Å; M84-N88 PolarHBondContact O-OD1 3.48Å; M84-H145 VanDerWaalsContact CE-CD2 3.44Å; M84-H145 WeakPolarHBondContact CE-CD2 3.18Å; M84-H145 WeakPolarHBondContact CE-NE2 3.17Å
85L98.7Very high98.2Very high0 Ų054.4 Ų54.40%026%0.26CS..Hα-helixtrans-66.2-36.2178.1-72.5173000112.3L44 Y61 M64 Y65 L68 I81 L82 H83 N88 K89L44-L85 HydrophobicContact CD1-CD1 4.18Å; L44-L85 HydrophobicContact CD1-CD2 4.2Å; Y61-L85 HydrophobicContact CD1-CD2 3.84Å; M64-L85 HydrophobicContact CB-CD1 4.04Å; M64-L85 HydrophobicContact CB-CD2 4.07Å; M64-L85 HydrophobicContact SD-CD2 4.27Å; Y65-L85 HydrophobicContact CD2-CB 4.05Å; L68-L85 HydrophobicContact CD1-CD1 3.75Å; I81-L85 HydrophobicContact CG2-CD1 3.95Å; I81-L85 HydrophobicContact CG2-CG 4.29Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 3.36Å; L82-L85 PolarHBondContact O-N 2.9Å; H83-L85 PolarHBondContact O-N 3.4Å; L85-N88 PolarHBondContact O-N 2.86Å; L85-K89 PolarHBondContact O-N 2.89Å
86D98.4Very high98.3Very high32 Ų3255.1 Ų55.117%0.17126%0.263CS..Hα-helixtrans-65.4-39.3174.5-165.381.3000112.1Y65 L82 H83 M84 K89 R90Y65-D86 HydrophobicContact CE2-CB 4.35Å; L82-D86 WeakPolarHBondContact O-CB 3.41Å; L82-D86 PolarHBondContact O-N 3.17Å; H83-D86 PolarHBondContact O-N 3.42Å; M84-D86 VanDerWaalsContact C-N 3.34Å; M84-D86 PolarHBondContact O-N 2.9Å; D86-K89 WeakPolarHBondContact O-CG 3.35Å; D86-K89 WeakPolarHBondContact OD1-CE 3.47Å; D86-K89 IonicContact OD1-NZ 2.67Å; D86-K89 PolarHBondContact OD1-NZ 2.88Å; D86-R90 WeakPolarHBondContact O-CG 3.19Å; D86-R90 IonicContact OD2-CZ 3.22Å; D86-R90 IonicContact OD2-NE 2.94Å; D86-R90 PolarHBondContact OD2-NE 3.3Å; D86-R90 IonicContact OD2-NH2 3.16Å; D86-R90 PolarHBondContact OD2-NH2 3.1Å
87R98.4Very high98.3Very high32 Ų3259.2 Ų59.212%0.12128%0.278CS..Hα-helixtrans-60-50.3169.4-179.8-158.467.3-156-0.6110.6Q16 E21 H83 M84 K89 R90 I91Q16-R87 PolarHBondContact O-NH2 2.78Å; E21-R87 IonicContact OE2-CZ 2.73Å; E21-R87 IonicContact OE2-NE 2.71Å; E21-R87 IonicContact OE2-NH1 3.69Å; E21-R87 PolarHBondContact OE2-NH1 3.34Å; H83-R87 PolarHBondContact O-N 2.64Å; M84-R87 VanDerWaalsContact CG-NH2 3.32Å; M84-R87 WeakPolarHBondContact O-CB 3.13Å; M84-R87 PolarHBondContact O-N 3.44Å; R87-K89 PolarHBondContact O-N 2.68Å; R87-R90 WeakPolarHBondContact O-CB 3.36Å; R87-R90 PolarHBondContact O-N 3.2Å; R87-I91 HydrophobicContact CG-CD1 4.11Å; R87-I91 PolarHBondContact O-N 2.83Å
88N98.7Very high98.3Very high0 Ų055.5 Ų55.50%026%0.255CS..Hα-helixtrans-61.5-44.2-173.9-70.1-7.4000112.9Q16 M20 Y61 M84 L85 R90 I91 K92Q16-N88 PolarHBondContact O-ND2 3.06Å; Q16-N88 PolarHBondContact O-OD1 3.01Å; Q16-N88 PolarHBondContact OE1-ND2 2.82Å; M20-N88 VanDerWaalsContact CB-OD1 3.27Å; M20-N88 WeakPolarHBondContact CB-OD1 3.48Å; M20-N88 HydrophobicContact CE-CB 3.9Å; Y61-N88 HydrophobicContact CD1-CB 3.61Å; Y61-N88 HydrophobicContact CD2-CB 3.82Å; Y61-N88 HydrophobicContact CE1-CB 3.69Å; Y61-N88 HydrophobicContact CE2-CB 3.89Å; Y61-N88 HydrophobicContact CG-CB 3.67Å; M84-N88 PolarHBondContact O-N 2.78Å; M84-N88 PolarHBondContact O-OD1 3.48Å; L85-N88 PolarHBondContact O-N 2.86Å; N88-R90 PolarHBondContact O-N 3.41Å; N88-I91 PolarHBondContact O-N 2.88Å; N88-K92 PolarHBondContact O-N 2.93Å; N88-K92 VanDerWaalsContact O-O 3.05Å
89K98Very high98.3Very high73 Ų7349.6 Ų49.632%0.31723%0.227SC..Hα-helixtrans-65.9-22.6179.774.6-177.1-176-164.30113.8L85 D86 R87 I91 K92L85-K89 PolarHBondContact O-N 2.89Å; D86-K89 WeakPolarHBondContact O-CG 3.35Å; D86-K89 WeakPolarHBondContact OD1-CE 3.47Å; D86-K89 IonicContact OD1-NZ 2.67Å; D86-K89 PolarHBondContact OD1-NZ 2.88Å; R87-K89 PolarHBondContact O-N 2.68Å; K89-I91 VanDerWaalsContact C-N 3.34Å; K89-K92 WeakPolarHBondContact CA-O 3.49Å
90R98.3Very high98.4Very high197 Ų19751.2 Ų51.274%0.74324%0.243SC*.Hα-helixtrans-76.5-23.5174-66.2171.9-168-143.84.8112.4D86 R87 N88D86-R90 WeakPolarHBondContact O-CG 3.19Å; D86-R90 IonicContact OD2-CZ 3.22Å; D86-R90 IonicContact OD2-NE 2.94Å; D86-R90 PolarHBondContact OD2-NE 3.3Å; D86-R90 IonicContact OD2-NH2 3.16Å; D86-R90 PolarHBondContact OD2-NH2 3.1Å; R87-R90 WeakPolarHBondContact O-CB 3.36Å; R87-R90 PolarHBondContact O-N 3.2Å; N88-R90 PolarHBondContact O-N 3.41Å
91I98.3Very high98.3Very high46 Ų4651.1 Ų51.124%0.23624%0.24CC..Hα-helixtrans-87.1-50.8179.8-63.8164.4000109.8M20 H23 N24 R87 N88 K89M20-I91 HydrophobicContact CE-CB 3.79Å; M20-I91 HydrophobicContact CE-CD1 3.88Å; M20-I91 HydrophobicContact CE-CG1 4.44Å; M20-I91 HydrophobicContact CE-CG2 3.79Å; H23-I91 WeakPolarHBondContact CD2-CG2 3.29Å; H23-I91 VanDerWaalsContact NE2-CG2 3.33Å; H23-I91 WeakPolarHBondContact NE2-CG2 3.44Å; N24-I91 HydrophobicContact CB-CD1 3.74Å; R87-I91 HydrophobicContact CG-CD1 4.11Å; R87-I91 PolarHBondContact O-N 2.83Å; N88-I91 PolarHBondContact O-N 2.88Å; K89-I91 VanDerWaalsContact C-N 3.34Å
92K98.5Very high98.2Very high32 Ų3258.5 Ų58.514%0.13927%0.272CS..  trans-155.7163.6178.169.5-171.6-169.7168.50111.9N15 M20 S35 Y61 N88 K89 R94 E96N15-K92 PolarHBondContact ND2-NZ 2.87Å; M20-K92 HydrophobicContact CE-CD 4.45Å; M20-K92 HydrophobicContact CE-CG 4.17Å; M20-K92 HydrophobicContact SD-CD 4.38Å; S35-K92 PolarHBondContact O-NZ 3.3Å; S35-K92 PolarHBondContact OG-NZ 3.21Å; Y61-K92 VanDerWaalsContact CD2-O 3.27Å; Y61-K92 WeakPolarHBondContact CD2-O 3.34Å; Y61-K92 HydrophobicContact CE2-CG 3.89Å; N88-K92 PolarHBondContact O-N 2.93Å; N88-K92 VanDerWaalsContact O-O 3.05Å; K89-K92 WeakPolarHBondContact CA-O 3.49Å; K92-R94 VanDerWaalsContact CE-O 3.29Å; K92-R94 WeakPolarHBondContact CE-O 3.14Å; K92-E96 IonicContact NZ-OE2 3.84Å; K92-E96 PolarHBondContact NZ-OE2 3.12Å
93S98.4Very high98.1Very high73 Ų7361 Ų6151%0.5129%0.285SS..SBendtrans-70.2-36.3-17162.10000114.8T60 Y61T60-S93 VanDerWaalsContact CA-O 3.31Å; T60-S93 WeakPolarHBondContact CA-O 3.21Å; T60-S93 VanDerWaalsContact CB-O 3.24Å; T60-S93 WeakPolarHBondContact CB-O 3.48Å; Y61-S93 PolarHBondContact N-O 3.45Å
94R98.8Very high98Very high123 Ų12357.3 Ų57.346%0.46427%0.268SS..SBendtrans-150155-172.572.5178.282.1104.81.6111.4T60 K92T60-R94 HydrophobicContact CG2-CB 4.41Å; K92-R94 VanDerWaalsContact CE-O 3.29Å; K92-R94 WeakPolarHBondContact CE-O 3.14Å
95P98.8Very high97.9Very high1 Ų157 Ų571%0.00627%0.267CS..  trans-63.9147.7167.727.5-32.4000110.4N15 V42 F57 T59 Y61 M64N15-P95 HydrophobicContact CB-CB 3.79Å; V42-P95 HydrophobicContact CG2-CB 3.98Å; V42-P95 HydrophobicContact CG2-CG 3.55Å; F57-P95 HydrophobicContact CD1-CB 4Å; F57-P95 HydrophobicContact CD1-CG 4.35Å; F57-P95 HydrophobicContact CE1-CB 4.25Å; F57-P95 VanDerWaalsContact O-O 3.08Å; T59-P95 WeakPolarHBondContact O-CD 3.4Å; Y61-P95 HydrophobicContact CE1-CB 4.11Å; Y61-P95 HydrophobicContact CE1-CG 4.19Å; Y61-P95 VanDerWaalsContact OH-CA 3.3Å; Y61-P95 WeakPolarHBondContact OH-CA 3.38Å; M64-P95 HydrophobicContact CE-CG 3.83Å
96E98.8Very high97.8Very high62 Ų6260 Ų6029%0.2928%0.283SS..  trans-122.7140.2-178-62173.510200109.8N15 R34 F36 G37 K92N15-E96 PolarHBondContact ND2-N 3.04Å; N15-E96 PolarHBondContact ND2-O 3.43Å; R34-E96 IonicContact CZ-OE1 2.59Å; R34-E96 VanDerWaalsContact NH2-CD 3.34Å; R34-E96 IonicContact NH2-OE1 3.83Å; R34-E96 PolarHBondContact NH2-OE1 2.73Å; R34-E96 IonicContact NH2-OE2 2.82Å; R34-E96 PolarHBondContact NH2-OE2 2.59Å; F36-E96 CarbonylContact C-O 3.48Å; F36-E96 WeakPolarHBondContact CA-O 3.29Å; F36-E96 HydrophobicContact CD1-CB 3.77Å; F36-E96 HydrophobicContact CE1-CB 4.04Å; G37-E96 PolarHBondContact N-O 3.28Å; K92-E96 IonicContact NZ-OE2 3.84Å; K92-E96 PolarHBondContact NZ-OE2 3.12Å
97R98.6Very high97.8Very high91 Ų9158.5 Ų58.534%0.34327%0.274SS..BIsolated β-bridgetrans-92128.3179.4-173.4168.4-177.5-124-7110.1G37 G39 F57 Q99 S100G37-R97 CarbonylContact O-C 3.44Å; G37-R97 VanDerWaalsContact O-CA 3.25Å; G37-R97 WeakPolarHBondContact O-CA 3.35Å; G39-R97 PolarHBondContact O-NE 3.05Å; F57-R97 HydrophobicContact CD1-CB 3.9Å; F57-R97 HydrophobicContact CD2-CB 4.19Å; F57-R97 HydrophobicContact CE1-CB 4.03Å; F57-R97 HydrophobicContact CE2-CB 4.33Å; F57-R97 HydrophobicContact CE2-CG 4.41Å; F57-R97 HydrophobicContact CG-CB 3.98Å; F57-R97 HydrophobicContact CZ-CB 4.24Å; F57-R97 HydrophobicContact CZ-CG 4.44Å; R97-Q99 VanDerWaalsContact C-N 3.34Å; R97-Q99 PolarHBondContact O-N 3.15Å; R97-S100 PolarHBondContact O-N 2.97Å; R97-S100 VanDerWaalsContact O-N 3.11Å
98F98.7Very high97.8Very high4 Ų457 Ų572%0.01827%0.269CS..G310 helixtrans-59.2-45.2-174-175.7-97.1000111.8V11 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 3.79Å; V11-F98 HydrophobicContact CG2-CE2 4.11Å; F36-F98 HydrophobicContact CB-CB 3.74Å; F36-F98 HydrophobicContact CB-CD2 3.97Å; F36-F98 HydrophobicContact CB-CG 4.37Å; F36-F98 AromaticContact CD2-CD2 3.86Å; F36-F98 HydrophobicContact CD2-CD2 3.86Å; F36-F98 HydrophobicContact CD2-CE2 4.49Å; F36-F98 HydrophobicContact CG-CB 4.3Å; F36-F98 AromaticContact CG-CD2 3.95Å; F36-F98 HydrophobicContact CG-CD2 3.95Å; G37-F98 PolarHBondContact O-N 2.96Å; T38-F98 HydrophobicContact CG2-CB 4.34Å; F98-S100 PolarHBondContact O-N 2.7Å; F98-C101 WeakPolarHBondContact O-CB 3.23Å; F98-C101 PolarHBondContact O-N 3.46Å; F98-V108 HydrophobicContact CE2-CG1 4.25Å; F98-V108 HydrophobicContact CE2-CG2 4.46Å; F98-V108 HydrophobicContact CZ-CG1 4.46Å; F98-V108 HydrophobicContact CZ-CG2 4.48Å; F98-V119 HydrophobicContact CD1-CG2 4.11Å; F98-V119 HydrophobicContact CE1-CB 4.42Å; F98-V119 HydrophobicContact CE1-CG1 3.95Å; F98-V119 HydrophobicContact CE1-CG2 4.19Å; F98-V119 HydrophobicContact CG-CG2 4.41Å; F98-V119 HydrophobicContact CZ-CG1 4.04Å; F98-D122 WeakPolarHBondContact CD1-OD2 3.37Å; F98-L123 HydrophobicContact CE1-CD2 4.15Å; F98-L123 HydrophobicContact CE1-CG 4.15Å; F98-L123 HydrophobicContact CZ-CD1 4.5Å; F98-L123 HydrophobicContact CZ-CD2 4.17Å; F98-L123 HydrophobicContact CZ-CG 4.38Å; F98-R126 PolarHBondContact O-NH2 3.35Å
99Q98.3Very high97.8Very high37 Ų3757 Ų5717%0.17327%0.269CS..G310 helixtrans-63.8-13.8-179-56.994.9-21.900113.7T38 R97 D122T38-Q99 PolarHBondContact O-NE2 3.27Å; R97-Q99 VanDerWaalsContact C-N 3.34Å; R97-Q99 PolarHBondContact O-N 3.15Å; Q99-D122 VanDerWaalsContact CB-OD1 3.32Å; Q99-D122 WeakPolarHBondContact CB-OD1 3.48Å; Q99-D122 HydrophobicContact CG-CB 3.79Å; Q99-D122 VanDerWaalsContact CG-CG 3.43Å; Q99-D122 VanDerWaalsContact CG-OD1 3.29Å; Q99-D122 WeakPolarHBondContact CG-OD1 3.24Å
100S97.3Very high97.8Very high88 Ų8853.5 Ų53.562%0.61525%0.254SS*.G310 helixtrans-98.4-6.7176.5-55.20000113.2R97 F98R97-S100 PolarHBondContact O-N 2.97Å; R97-S100 VanDerWaalsContact O-N 3.11Å; F98-S100 PolarHBondContact O-N 2.7Å
101C96.1Very high97.9Very high14 Ų1444.1 Ų44.110%0.09522%0.218CC..  trans-92.3137.4-179.3-169.10000111.2F36 F98 R126F36-C101 HydrophobicContact CD1-CB 4.28Å; F36-C101 HydrophobicContact CE1-CB 3.7Å; F36-C101 HydrophobicContact CZ-CB 4.12Å; F36-C101 VanDerWaalsContact CZ-SG 3.58Å; F98-C101 WeakPolarHBondContact O-CB 3.23Å; F98-C101 PolarHBondContact O-N 3.46Å; C101-R126 PolarHBondContact O-NH1 3.26Å; C101-R126 PolarHBondContact O-NH2 3.16Å; C101-R126 VanDerWaalsContact O-NH2 3.08Å
102K94.8Very high97.8Very high159 Ų15944.4 Ų44.469%0.69122%0.218SC*.  trans-110.42.7177.8-61.5-60.8-174178.60113.6
103D96.4Very high97.8Very high59 Ų5948 Ų4832%0.31624%0.236SC..  trans-64147172.8-72.730.1000110.9R34 F105R34-D103 WeakPolarHBondContact CD-OD2 3.44Å; R34-D103 IonicContact CZ-OD2 3.48Å; R34-D103 IonicContact NE-OD2 2.8Å; R34-D103 IonicContact NH1-OD1 3.68Å; R34-D103 PolarHBondContact NH1-OD1 3.06Å; R34-D103 IonicContact NH1-OD2 2.79Å; R34-D103 PolarHBondContact NH1-OD2 3.33Å; D103-F105 HydrophobicContact CB-CE1 4.36Å; D103-F105 HydrophobicContact CB-CE2 3.94Å; D103-F105 HydrophobicContact CB-CZ 3.65Å
104Q96.8Very high97.8Very high69 Ų6951.4 Ų51.432%0.32224%0.237SC..  trans-98.8145.3171.8-60.3-174.8-9.500110.4R7 T130 Y194R7-Q104 PolarHBondContact NH1-O 2.95Å; Q104-T130 PolarHBondContact NE2-OG1 2.98Å; Q104-Y194 HydrophobicContact CB-CD2 3.71Å; Q104-Y194 HydrophobicContact CB-CE2 3.56Å; Q104-Y194 HydrophobicContact CB-CG 4.25Å; Q104-Y194 HydrophobicContact CG-CD1 4.03Å; Q104-Y194 HydrophobicContact CG-CD2 3.63Å; Q104-Y194 HydrophobicContact CG-CE1 4.33Å; Q104-Y194 HydrophobicContact CG-CE2 3.94Å; Q104-Y194 HydrophobicContact CG-CG 3.68Å
105F97.5Very high97.8Very high6 Ų645.5 Ų45.53%0.02622%0.215CC..  trans-133152-179.2-56.5-77000109.6A9 R34 F36 D103 V108 V134 Y194A9-F105 HydrophobicContact CB-CB 4.38Å; A9-F105 HydrophobicContact CB-CD1 3.8Å; A9-F105 HydrophobicContact CB-CD2 3.65Å; A9-F105 HydrophobicContact CB-CE1 3.96Å; A9-F105 HydrophobicContact CB-CE2 3.82Å; A9-F105 HydrophobicContact CB-CG 3.65Å; A9-F105 HydrophobicContact CB-CZ 3.98Å; R34-F105 HydrophobicContact CB-CE1 3.85Å; R34-F105 HydrophobicContact CB-CZ 4.06Å; R34-F105 HydrophobicContact CG-CE1 4.02Å; R34-F105 HydrophobicContact CG-CZ 4.4Å; F36-F105 HydrophobicContact CE2-CE1 4.41Å; F36-F105 AromaticContact CE2-CE2 3.88Å; F36-F105 HydrophobicContact CE2-CE2 3.88Å; F36-F105 AromaticContact CE2-CZ 3.54Å; F36-F105 HydrophobicContact CE2-CZ 3.54Å; F36-F105 HydrophobicContact CZ-CE2 4.28Å; F36-F105 AromaticContact CZ-CZ 3.79Å; F36-F105 HydrophobicContact CZ-CZ 3.79Å; D103-F105 HydrophobicContact CB-CE1 4.36Å; D103-F105 HydrophobicContact CB-CE2 3.94Å; D103-F105 HydrophobicContact CB-CZ 3.65Å; F105-V108 HydrophobicContact CB-CG2 4.27Å; F105-V108 HydrophobicContact CD2-CG2 4.43Å; F105-V134 WeakPolarHBondContact O-CB 3.38Å; F105-V134 WeakPolarHBondContact O-CG2 3.45Å; F105-Y194 PolarHBondContact N-OH 2.9Å; F105-Y194 WeakPolarHBondContact O-CE2 3.48Å
106D96.3Very high97.8Very high63 Ų6346 Ų4634%0.33722%0.217SC..SBendtrans-78.7-35.1172.8-50.6-47.8000109.9L6 R7 H135L6-D106 HydrophobicContact CD1-CB 3.76Å; R7-D106 PolarHBondContact N-OD2 3.49Å; R7-D106 PolarHBondContact O-N 3.45Å; D106-H135 PolarHBondContact O-N 2.95Å; D106-H135 VanDerWaalsContact O-N 3.08Å
107L97.8Very high97.8Very high0 Ų047.1 Ų47.10%023%0.225CC..EExtended strand (participates in β ladder)trans-136.9127.3-176.3178.162.2000111.9L6 R7 V8 A9 I109 H135 I137 I162L6-L107 HydrophobicContact CD1-CB 4.36Å; L6-L107 HydrophobicContact CD2-CD2 4.15Å; R7-L107 PolarHBondContact O-N 3.5Å; V8-L107 CarbonylContact C-O 3.59Å; V8-L107 WeakPolarHBondContact CA-O 3.41Å; A9-L107 PolarHBondContact N-O 3.27Å; L107-I109 HydrophobicContact CD1-CG1 4.27Å; L107-I109 HydrophobicContact CD2-CD1 3.92Å; L107-I109 HydrophobicContact CD2-CG1 4.11Å; L107-I109 HydrophobicContact CG-CD1 4.31Å; L107-I109 HydrophobicContact CG-CG1 3.95Å; L107-H135 CarbonylContact C-O 3.56Å; L107-H135 WeakPolarHBondContact CA-O 3.44Å; L107-H135 HydrophobicContact CD1-CB 3.94Å; L107-I137 HydrophobicContact CD1-CB 4.46Å; L107-I137 HydrophobicContact CD1-CD1 3.56Å; L107-I137 HydrophobicContact CD1-CG1 3.96Å; L107-I162 HydrophobicContact CD2-CD1 3.74Å
108V98.7Very high97.8Very high0 Ų045 Ų450%022%0.219CC..EExtended strand (participates in β ladder)trans-112.6122.6171.2-178.50000109A9 V11 F98 F105 V119 V134 H135 V136 I137A9-V108 HydrophobicContact CB-CG2 4.22Å; A9-V108 CarbonylContact O-C 3.47Å; A9-V108 WeakPolarHBondContact O-CA 3.26Å; V11-V108 HydrophobicContact CG2-CG1 3.73Å; F98-V108 HydrophobicContact CE2-CG1 4.25Å; F98-V108 HydrophobicContact CE2-CG2 4.46Å; F98-V108 HydrophobicContact CZ-CG1 4.46Å; F98-V108 HydrophobicContact CZ-CG2 4.48Å; F105-V108 HydrophobicContact CB-CG2 4.27Å; F105-V108 HydrophobicContact CD2-CG2 4.43Å; V108-V119 HydrophobicContact CG1-CG1 4Å; V108-V134 HydrophobicContact CG2-CG2 3.66Å; V108-H135 PolarHBondContact N-O 3.21Å; V108-V136 HydrophobicContact CB-CG1 4.39Å; V108-V136 HydrophobicContact CB-CG2 4.36Å; V108-V136 HydrophobicContact CG1-CG1 4.42Å; V108-V136 CarbonylContact O-C 3.44Å; V108-V136 VanDerWaalsContact O-CA 3.31Å; V108-V136 WeakPolarHBondContact O-CA 3.18Å; V108-I137 PolarHBondContact O-N 3.13Å
109I98.8Very high97.8Very high0 Ų044.9 Ų44.90%022%0.218CC..EExtended strand (participates in β ladder)trans-110.1124178.3-60.6176.7000109.6V8 A9 V10 V11 L107 I137 V139 I155 C159V8-I109 HydrophobicContact CG1-CD1 4.26Å; A9-I109 PolarHBondContact O-N 3.44Å; V10-I109 CarbonylContact C-O 3.53Å; V10-I109 WeakPolarHBondContact CA-O 3.33Å; V11-I109 PolarHBondContact N-O 3.14Å; L107-I109 HydrophobicContact CD1-CG1 4.27Å; L107-I109 HydrophobicContact CD2-CD1 3.92Å; L107-I109 HydrophobicContact CD2-CG1 4.11Å; L107-I109 HydrophobicContact CG-CD1 4.31Å; L107-I109 HydrophobicContact CG-CG1 3.95Å; I109-I137 CarbonylContact C-O 3.56Å; I109-I137 VanDerWaalsContact CA-O 3.28Å; I109-I137 WeakPolarHBondContact CA-O 3.35Å; I109-V139 HydrophobicContact CG2-CG2 3.86Å; I109-I155 HydrophobicContact CD1-CG2 3.67Å; I109-I155 HydrophobicContact CG2-CD1 3.74Å; I109-I155 HydrophobicContact CG2-CG1 3.92Å; I109-C159 VanDerWaalsContact CD1-SG 3.52Å
110T98.9Very high97.8Very high0 Ų044.8 Ų44.80%022%0.219CC..EExtended strand (participates in β ladder)trans-102.7145175.861.70000111.5V11 V115 Y116 V119 V136 I137 N138 V139V11-T110 HydrophobicContact CB-CG2 4.32Å; V11-T110 WeakPolarHBondContact O-CA 3.26Å; T110-V115 HydrophobicContact CG2-CG1 4.04Å; T110-Y116 HydrophobicContact CG2-CD2 4.45Å; T110-Y116 WeakPolarHBondContact OG1-CB 3.38Å; T110-Y116 WeakPolarHBondContact OG1-CD2 3.33Å; T110-V119 HydrophobicContact CG2-CB 4.16Å; T110-V119 HydrophobicContact CG2-CG2 3.8Å; T110-V136 HydrophobicContact CG2-CG1 4.36Å; T110-I137 PolarHBondContact N-O 2.91Å; T110-N138 PolarHBondContact O-OD1 3.42Å; T110-N138 VanDerWaalsContact OG1-CA 3.32Å; T110-N138 WeakPolarHBondContact OG1-CA 3.1Å; T110-N138 WeakPolarHBondContact OG1-CB 3.41Å; T110-N138 PolarHBondContact OG1-OD1 3.04Å; T110-V139 PolarHBondContact O-N 3.14Å
111C98.6Very high97.9Very high0 Ų047.1 Ų47.10%022%0.22CC..SBendtrans-94.1-0.2-174.4-55.30000115.2V11 C12 R18 V139 I141V11-C111 PolarHBondContact O-N 2.91Å; V11-C111 PolarHBondContact O-SG 2.86Å; V11-C111 VanDerWaalsContact O-SG 3.35Å; C12-C111 HydrophobicContact CB-CB 4.03Å; R18-C111 HydrophobicContact CB-CB 3.92Å; R18-C111 PolarHBondContact NH1-O 3.39Å; C111-V139 CarbonylContact C-O 3.59Å; C111-V139 VanDerWaalsContact CA-O 3.24Å; C111-V139 WeakPolarHBondContact CA-O 3.49Å; C111-I141 HydrophobicContact CB-CB 4.46Å; C111-I141 HydrophobicContact CB-CD1 4.34Å; C111-I141 PolarHBondContact O-N 2.79Å
112E97.9Very high98Very high51 Ų5147.5 Ų47.524%0.23822%0.221CC..SBendtrans-166.9150.5175.362.6-165.1165.200110.5R18 R114 V115 Y116 N138 D140R18-E112 IonicContact CZ-OE1 3.53Å; R18-E112 IonicContact CZ-OE2 3.34Å; R18-E112 IonicContact NH1-OE1 3.01Å; R18-E112 IonicContact NH1-OE2 3.73Å; R18-E112 PolarHBondContact NH1-OE2 2.99Å; R18-E112 IonicContact NH2-OE1 2.68Å; R18-E112 PolarHBondContact NH2-OE1 2.95Å; R18-E112 VanDerWaalsContact NH2-OE1 3.16Å; R18-E112 IonicContact NH2-OE2 3.96Å; R18-E112 PolarHBondContact NH2-OE2 3.48Å; E112-R114 VanDerWaalsContact C-N 3.28Å; E112-R114 PolarHBondContact O-N 3.26Å; E112-V115 HydrophobicContact CG-CB 3.92Å; E112-V115 HydrophobicContact CG-CG2 3.45Å; E112-V115 VanDerWaalsContact CG-CG2 3.45Å; E112-V115 WeakPolarHBondContact O-CA 3.42Å; E112-V115 WeakPolarHBondContact O-CB 3.25Å; E112-V115 PolarHBondContact O-N 3.31Å; E112-V115 WeakPolarHBondContact OE1-CG2 3.14Å; E112-Y116 PolarHBondContact O-N 2.92Å; E112-N138 WeakPolarHBondContact CA-OD1 3.39Å; E112-N138 PolarHBondContact N-OD1 3.48Å; E112-N138 PolarHBondContact O-OD1 3.44Å; E112-N138 VanDerWaalsContact O-OD1 3.12Å; E112-D140 VanDerWaalsContact CA-OD1 3.3Å; E112-D140 WeakPolarHBondContact CA-OD1 3.22Å
113E98.4Very high98.1Very high108 Ų10840 Ų4051%0.50519%0.189SC..Hα-helixtrans-52.2-40.4-178.3-172.9178.5-174.900113.5V115 Y116 D117 N138 D140 L188E113-V115 PolarHBondContact O-N 3.47Å; E113-Y116 WeakPolarHBondContact O-CA 3.34Å; E113-Y116 WeakPolarHBondContact O-CB 3.39Å; E113-Y116 PolarHBondContact O-N 3.22Å; E113-Y116 VanDerWaalsContact O-N 3.08Å; E113-D117 PolarHBondContact O-N 3.41Å; E113-N138 PolarHBondContact N-OD1 3.25Å; E113-D140 PolarHBondContact N-OD1 3.33Å; E113-D140 VanDerWaalsContact N-OD1 3.17Å; E113-L188 HydrophobicContact CG-CD1 3.99Å
114R98.4Very high98.1Very high144 Ų14441.3 Ų41.354%0.54320%0.202SC..Hα-helixtrans-62.5-32.7177-159.5-171.189.2-179.52.7113.1E112 Q118E112-R114 VanDerWaalsContact C-N 3.28Å; E112-R114 PolarHBondContact O-N 3.26Å; R114-Q118 VanDerWaalsContact O-CG 3.22Å; R114-Q118 WeakPolarHBondContact O-CG 3.37Å; R114-Q118 PolarHBondContact O-N 2.8Å
115V98.8Very high98.1Very high0 Ų042.2 Ų42.20%022%0.216CC..Hα-helixtrans-76.2-36.6176.5173.50000109.8V11 T38 T110 E112 E113 Q118 V119V11-V115 HydrophobicContact CB-CG1 4.06Å; V11-V115 HydrophobicContact CG1-CG1 3.69Å; T38-V115 HydrophobicContact CG2-CG1 3.84Å; T110-V115 HydrophobicContact CG2-CG1 4.04Å; E112-V115 HydrophobicContact CG-CB 3.92Å; E112-V115 HydrophobicContact CG-CG2 3.45Å; E112-V115 VanDerWaalsContact CG-CG2 3.45Å; E112-V115 WeakPolarHBondContact O-CA 3.42Å; E112-V115 WeakPolarHBondContact O-CB 3.25Å; E112-V115 PolarHBondContact O-N 3.31Å; E112-V115 WeakPolarHBondContact OE1-CG2 3.14Å; E113-V115 PolarHBondContact O-N 3.47Å; V115-Q118 PolarHBondContact O-N 3.25Å; V115-V119 HydrophobicContact CG1-CG2 4.49Å; V115-V119 WeakPolarHBondContact O-CG2 3.34Å; V115-V119 PolarHBondContact O-N 3.08Å
116Y98.8Very high97.9Very high12 Ų1243.9 Ų43.95%0.04722%0.222CC..Hα-helixtrans-54.1-55.5171.4-175.8-103.1000111.6T110 E112 E113 Q118 V119 L120 V136 N138 L188 H189 T190T110-Y116 HydrophobicContact CG2-CD2 4.45Å; T110-Y116 WeakPolarHBondContact OG1-CB 3.38Å; T110-Y116 WeakPolarHBondContact OG1-CD2 3.33Å; E112-Y116 PolarHBondContact O-N 2.92Å; E113-Y116 WeakPolarHBondContact O-CA 3.34Å; E113-Y116 WeakPolarHBondContact O-CB 3.39Å; E113-Y116 PolarHBondContact O-N 3.22Å; E113-Y116 VanDerWaalsContact O-N 3.08Å; Y116-Q118 VanDerWaalsContact C-N 3.27Å; Y116-Q118 PolarHBondContact O-N 3.01Å; Y116-V119 WeakPolarHBondContact O-CB 3.14Å; Y116-V119 PolarHBondContact O-N 2.87Å; Y116-L120 HydrophobicContact CD1-CD1 3.81Å; Y116-L120 HydrophobicContact CD1-CG 4.29Å; Y116-L120 HydrophobicContact CE1-CD1 3.28Å; Y116-L120 HydrophobicContact CE1-CG 4.07Å; Y116-L120 HydrophobicContact CE2-CD1 4.46Å; Y116-L120 WeakPolarHBondContact O-CG 3.4Å; Y116-L120 PolarHBondContact O-N 3.11Å; Y116-V136 HydrophobicContact CD2-CG1 3.78Å; Y116-V136 HydrophobicContact CE2-CB 4.15Å; Y116-V136 HydrophobicContact CE2-CG1 3.67Å; Y116-N138 HydrophobicContact CD2-CB 3.68Å; Y116-N138 HydrophobicContact CE2-CB 4.29Å; Y116-N138 HydrophobicContact CG-CB 3.97Å; Y116-L188 HydrophobicContact CD1-CD1 4.04Å; Y116-L188 HydrophobicContact CE1-CB 4.08Å; Y116-L188 HydrophobicContact CE1-CD1 4.18Å; Y116-L188 HydrophobicContact CE2-CB 4.2Å; Y116-H189 VanDerWaalsContact OH-C 3.26Å; Y116-T190 WeakPolarHBondContact OH-CB 3.41Å; Y116-T190 PolarHBondContact OH-N 2.99Å; Y116-T190 PolarHBondContact OH-OG1 2.8Å
117D98.6Very high97.8Very high84 Ų8448.5 Ų48.545%0.44924%0.242SC..Hα-helixtrans-55.7-42.6178.6-67.2-24.3000112.2E113 V119 L120 E121E113-D117 PolarHBondContact O-N 3.41Å; D117-V119 VanDerWaalsContact C-N 3.34Å; D117-V119 PolarHBondContact O-N 2.93Å; D117-L120 PolarHBondContact O-N 3.02Å; D117-E121 WeakPolarHBondContact O-CB 3.35Å; D117-E121 PolarHBondContact O-N 2.96Å
118Q98.7Very high97.5Very high48 Ų4852.4 Ų52.422%0.22426%0.26CS..Hα-helixtrans-68.9-30.4179.7-72.8176.8-22.600113.4T38 R114 V115 Y116 D122T38-Q118 HydrophobicContact CG2-CB 3.94Å; T38-Q118 PolarHBondContact OG1-OE1 3.44Å; R114-Q118 VanDerWaalsContact O-CG 3.22Å; R114-Q118 WeakPolarHBondContact O-CG 3.37Å; R114-Q118 PolarHBondContact O-N 2.8Å; V115-Q118 PolarHBondContact O-N 3.25Å; Y116-Q118 VanDerWaalsContact C-N 3.27Å; Y116-Q118 PolarHBondContact O-N 3.01Å; Q118-D122 VanDerWaalsContact O-CB 3.31Å; Q118-D122 WeakPolarHBondContact O-CB 3.45Å; Q118-D122 PolarHBondContact O-N 3.19Å
119V98.8Very high97.1Very high0 Ų059.8 Ų59.80%030%0.295CS..Hα-helixtrans-71.8-45.3172.91650000109.8V11 T38 F98 V108 T110 V115 Y116 D117 D122 L123 V136V11-V119 HydrophobicContact CB-CG2 4.31Å; 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 4.11Å; F98-V119 HydrophobicContact CE1-CB 4.42Å; F98-V119 HydrophobicContact CE1-CG1 3.95Å; F98-V119 HydrophobicContact CE1-CG2 4.19Å; F98-V119 HydrophobicContact CG-CG2 4.41Å; F98-V119 HydrophobicContact CZ-CG1 4.04Å; V108-V119 HydrophobicContact CG1-CG1 4Å; T110-V119 HydrophobicContact CG2-CB 4.16Å; T110-V119 HydrophobicContact CG2-CG2 3.8Å; V115-V119 HydrophobicContact CG1-CG2 4.49Å; V115-V119 WeakPolarHBondContact O-CG2 3.34Å; V115-V119 PolarHBondContact O-N 3.08Å; Y116-V119 WeakPolarHBondContact O-CB 3.14Å; Y116-V119 PolarHBondContact O-N 2.87Å; D117-V119 VanDerWaalsContact C-N 3.34Å; D117-V119 PolarHBondContact O-N 2.93Å; V119-D122 PolarHBondContact O-N 2.79Å; V119-L123 HydrophobicContact CG1-CD1 3.86Å; V119-L123 HydrophobicContact CG1-CG 4.39Å; V119-L123 WeakPolarHBondContact O-CB 3.48Å; V119-L123 WeakPolarHBondContact O-CG 3.24Å; V119-L123 PolarHBondContact O-N 2.78Å; V119-V136 HydrophobicContact CG1-CG1 3.85Å; V119-V136 HydrophobicContact CG1-CG2 4.4Å
120L98.5Very high96.8Very high35 Ų3562.9 Ų62.918%0.18331%0.314CS..Hα-helixtrans-64-44.3178.6-64.9-171.6000112.4Y116 D117 D122 L123 S124 V136 T190 C192Y116-L120 HydrophobicContact CD1-CD1 3.81Å; Y116-L120 HydrophobicContact CD1-CG 4.29Å; Y116-L120 HydrophobicContact CE1-CD1 3.28Å; Y116-L120 HydrophobicContact CE1-CG 4.07Å; Y116-L120 HydrophobicContact CE2-CD1 4.46Å; Y116-L120 WeakPolarHBondContact O-CG 3.4Å; Y116-L120 PolarHBondContact O-N 3.11Å; D117-L120 PolarHBondContact O-N 3.02Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 2.86Å; L120-L123 PolarHBondContact O-N 2.77Å; L120-S124 VanDerWaalsContact O-CB 3.27Å; L120-S124 WeakPolarHBondContact O-CB 3.28Å; L120-S124 PolarHBondContact O-N 3.26Å; L120-S124 PolarHBondContact O-OG 3.39Å; L120-V136 HydrophobicContact CD2-CB 4.02Å; L120-V136 HydrophobicContact CD2-CG1 4.09Å; L120-V136 HydrophobicContact CD2-CG2 4.04Å; L120-T190 HydrophobicContact CD1-CG2 4.48Å; L120-T190 HydrophobicContact CD2-CG2 4Å; L120-C192 VanDerWaalsContact CD2-SG 3.56Å
121E98.3Very high96.5Very high138 Ų13869.1 Ų69.165%0.64534%0.341SS*.Hα-helixtrans-59.6-45.4175.6-175.2-177.4-166.300110.9D117 S124 S125D117-E121 WeakPolarHBondContact O-CB 3.35Å; D117-E121 PolarHBondContact O-N 2.96Å; E121-S124 WeakPolarHBondContact CA-OG 3.37Å; E121-S124 PolarHBondContact O-OG 2.97Å; E121-S124 VanDerWaalsContact O-OG 3.05Å; E121-S125 VanDerWaalsContact O-CB 3.28Å; E121-S125 WeakPolarHBondContact O-CB 3.42Å; E121-S125 PolarHBondContact O-N 2.84Å; E121-S125 PolarHBondContact O-OG 2.88Å
122D98.3Very high96.3Very high21 Ų2172 Ų7211%0.11236%0.358CS..Hα-helixtrans-65.6-47.7179179.768.8000112F98 Q99 Q118 V119 L120 S124 S125 R126F98-D122 WeakPolarHBondContact CD1-OD2 3.37Å; Q99-D122 VanDerWaalsContact CB-OD1 3.32Å; Q99-D122 WeakPolarHBondContact CB-OD1 3.48Å; Q99-D122 HydrophobicContact CG-CB 3.79Å; Q99-D122 VanDerWaalsContact CG-CG 3.43Å; Q99-D122 VanDerWaalsContact CG-OD1 3.29Å; Q99-D122 WeakPolarHBondContact CG-OD1 3.24Å; Q118-D122 VanDerWaalsContact O-CB 3.31Å; Q118-D122 WeakPolarHBondContact O-CB 3.45Å; Q118-D122 PolarHBondContact O-N 3.19Å; V119-D122 PolarHBondContact O-N 2.79Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 2.86Å; D122-S124 PolarHBondContact O-N 2.95Å; D122-S125 PolarHBondContact O-N 3.27Å; D122-S125 PolarHBondContact O-OG 3.26Å; D122-R126 WeakPolarHBondContact O-CG 3.23Å; D122-R126 PolarHBondContact O-N 3.24Å; D122-R126 IonicContact OD1-NE 3.41Å; D122-R126 IonicContact OD1-NH2 3.49Å; D122-R126 IonicContact OD2-CZ 3.47Å; D122-R126 IonicContact OD2-NE 4Å; D122-R126 PolarHBondContact OD2-NE 3.37Å; D122-R126 VanDerWaalsContact OD2-NE 3.07Å; D122-R126 IonicContact OD2-NH2 3.25Å; D122-R126 PolarHBondContact OD2-NH2 2.98Å
123L97.6Very high96.2Very high3 Ų371.5 Ų71.52%0.01636%0.36CS..Hα-helixtrans-63.3-42.2178.7-70175.5000112.2F98 V119 L120 S125 R126 V134 V136 C192 Y194F98-L123 HydrophobicContact CE1-CD2 4.15Å; F98-L123 HydrophobicContact CE1-CG 4.15Å; F98-L123 HydrophobicContact CZ-CD1 4.5Å; F98-L123 HydrophobicContact CZ-CD2 4.17Å; F98-L123 HydrophobicContact CZ-CG 4.38Å; V119-L123 HydrophobicContact CG1-CD1 3.86Å; V119-L123 HydrophobicContact CG1-CG 4.39Å; V119-L123 WeakPolarHBondContact O-CB 3.48Å; V119-L123 WeakPolarHBondContact O-CG 3.24Å; V119-L123 PolarHBondContact O-N 2.78Å; L120-L123 PolarHBondContact O-N 2.77Å; L123-S125 VanDerWaalsContact C-N 3.3Å; L123-S125 PolarHBondContact O-N 2.94Å; L123-R126 PolarHBondContact O-N 3.23Å; L123-V134 HydrophobicContact CD1-CG1 4.18Å; L123-V136 HydrophobicContact CD1-CG2 3.94Å; L123-C192 HydrophobicContact CB-CB 4.11Å; L123-C192 HydrophobicContact CD1-CB 3.78Å; L123-Y194 HydrophobicContact CD2-CD1 4.39Å; L123-Y194 HydrophobicContact CD2-CE1 3.87Å
124S95.6Very high96.1Very high85 Ų8566.4 Ų66.459%0.59434%0.336SS*.Hα-helixtrans-69.5-25.417860.50000113.8L120 E121 D122 R126L120-S124 VanDerWaalsContact O-CB 3.27Å; L120-S124 WeakPolarHBondContact O-CB 3.28Å; L120-S124 PolarHBondContact O-N 3.26Å; L120-S124 PolarHBondContact O-OG 3.39Å; E121-S124 WeakPolarHBondContact CA-OG 3.37Å; E121-S124 PolarHBondContact O-OG 2.97Å; E121-S124 VanDerWaalsContact O-OG 3.05Å; D122-S124 PolarHBondContact O-N 2.95Å; S124-R126 VanDerWaalsContact C-N 3.34Å
125S96.1Very high96.1Very high89 Ų8960.1 Ų60.162%0.62231%0.313SS*.Hα-helixtrans-79.4-15.3176.176.30000114.1E121 D122 L123E121-S125 VanDerWaalsContact O-CB 3.28Å; E121-S125 WeakPolarHBondContact O-CB 3.42Å; E121-S125 PolarHBondContact O-N 2.84Å; E121-S125 PolarHBondContact O-OG 2.88Å; D122-S125 PolarHBondContact O-N 3.27Å; D122-S125 PolarHBondContact O-OG 3.26Å; L123-S125 VanDerWaalsContact C-N 3.3Å; L123-S125 PolarHBondContact O-N 2.94Å
126R95.2Very high96Very high40 Ų4060.1 Ų60.115%0.15131%0.313CS..SBendtrans-77.7145.3176.7-67166.6-171.9-141.51.8109.6F98 C101 D122 L123 S124 Q128F98-R126 PolarHBondContact O-NH2 3.35Å; C101-R126 PolarHBondContact O-NH1 3.26Å; C101-R126 PolarHBondContact O-NH2 3.16Å; C101-R126 VanDerWaalsContact O-NH2 3.08Å; D122-R126 WeakPolarHBondContact O-CG 3.23Å; D122-R126 PolarHBondContact O-N 3.24Å; D122-R126 IonicContact OD1-NE 3.41Å; D122-R126 IonicContact OD1-NH2 3.49Å; D122-R126 IonicContact OD2-CZ 3.47Å; D122-R126 IonicContact OD2-NE 4Å; D122-R126 PolarHBondContact OD2-NE 3.37Å; D122-R126 VanDerWaalsContact OD2-NE 3.07Å; D122-R126 IonicContact OD2-NH2 3.25Å; D122-R126 PolarHBondContact OD2-NH2 2.98Å; L123-R126 PolarHBondContact O-N 3.23Å; S124-R126 VanDerWaalsContact C-N 3.34Å; R126-Q128 PolarHBondContact O-N 2.86Å
127E92.8Very high96Very high161 Ų16159.6 Ų59.675%0.75231%0.311SS*.  trans-67.1130.8168.4-172.5170.8-173.900108.8E129E127-E129 PolarHBondContact O-N 3.28Å
128Q92.1Very high96Very high81 Ų8155.7 Ų55.738%0.37929%0.29SS..  trans-81.4106.4179.7-66176.8-0.700108.9R126 F131 F193 Y194R126-Q128 PolarHBondContact O-N 2.86Å; Q128-F131 HydrophobicContact CB-CD1 4.22Å; Q128-F131 HydrophobicContact CB-CE1 3.88Å; Q128-F131 HydrophobicContact CB-CZ 4.11Å; Q128-F131 WeakPolarHBondContact O-CE2 3.32Å; Q128-F193 HydrophobicContact CG-CB 4.35Å; Q128-Y194 WeakPolarHBondContact CA-OXT 3.28Å
129E90.4Very high96Very high156 Ų15653.5 Ų53.573%0.72928%0.28SS*.SBendtrans-96.2-39.8-175.8-68.6-177.1-16900112E127 Y194E127-E129 PolarHBondContact O-N 3.28Å; E129-Y194 PolarHBondContact N-O 2.86Å; E129-Y194 PolarHBondContact N-OXT 3.24Å
130T93.1Very high95.9Very high65 Ų6557.4 Ų57.440%0.39930%0.301SS..SBendtrans-105-19.7-170.961.30000113.4Q104 T132 Y194Q104-T130 PolarHBondContact NE2-OG1 2.98Å; T130-T132 PolarHBondContact O-N 3.16Å; T130-T132 VanDerWaalsContact O-N 3.12Å; T130-T132 PolarHBondContact OG1-N 3.42Å; T130-T132 PolarHBondContact OG1-OG1 3.08Å; T130-Y194 CarbonylContact C-O 3.54Å; T130-Y194 WeakPolarHBondContact CA-O 3.37Å; T130-Y194 PolarHBondContact N-O 2.89Å; T130-Y194 WeakPolarHBondContact OG1-CB 3.45Å; T130-Y194 PolarHBondContact OG1-O 3.39Å
131F92.6Very high95.8Very high131 Ų13156.1 Ų56.158%0.57529%0.294SS*.  trans53.525-171.6-60.4-89.3000113Q128 Y194Q128-F131 HydrophobicContact CB-CD1 4.22Å; Q128-F131 HydrophobicContact CB-CE1 3.88Å; Q128-F131 HydrophobicContact CB-CZ 4.11Å; Q128-F131 WeakPolarHBondContact O-CE2 3.32Å; F131-Y194 PolarHBondContact N-O 3.47Å
132T94.1Very high95.8Very high59 Ų5955.7 Ų55.736%0.36229%0.292SS..  trans-78.9126176.6-58.90000108.3T130 F193 Y194T130-T132 PolarHBondContact O-N 3.16Å; T130-T132 VanDerWaalsContact O-N 3.12Å; T130-T132 PolarHBondContact OG1-N 3.42Å; T130-T132 PolarHBondContact OG1-OG1 3.08Å; T132-F193 WeakPolarHBondContact O-CA 3.4Å; T132-Y194 PolarHBondContact O-N 3Å
133P94.9Very high95.6Very high42 Ų4259.2 Ų59.227%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-69.2149.4-178.828.6-34.1000111.3V191 C192 F193P133-V191 HydrophobicContact CB-CG1 3.84Å; P133-C192 CarbonylContact C-O 3.55Å; P133-C192 WeakPolarHBondContact CA-O 3.29Å; P133-F193 HydrophobicContact CB-CD1 4.19Å; P133-F193 HydrophobicContact CB-CE1 3.94Å
134V96.8Very high95.6Very high0 Ų061.8 Ų61.80%032%0.324CS..EExtended strand (participates in β ladder)trans-135.4128168.255.50000109.4F105 V108 L123 V191 C192 Y194F105-V134 WeakPolarHBondContact O-CB 3.38Å; F105-V134 WeakPolarHBondContact O-CG2 3.45Å; V108-V134 HydrophobicContact CG2-CG2 3.66Å; L123-V134 HydrophobicContact CD1-CG1 4.18Å; V134-V191 WeakPolarHBondContact O-CA 3.2Å; V134-C192 HydrophobicContact CG1-CB 3.77Å; V134-C192 PolarHBondContact N-O 3.28Å; V134-C192 PolarHBondContact O-N 3Å; V134-Y194 HydrophobicContact CB-CD2 4.31Å; V134-Y194 HydrophobicContact CB-CE2 3.6Å; V134-Y194 HydrophobicContact CG1-CD2 4.3Å; V134-Y194 HydrophobicContact CG1-CE1 4.4Å; V134-Y194 HydrophobicContact CG1-CE2 3.82Å; V134-Y194 HydrophobicContact CG2-CE2 4.15Å
135H97.6Very high95.5Very high13 Ų1361.7 Ų61.76%0.0631%0.314CS..EExtended strand (participates in β ladder)trans-79.9130.1174.5-68.6-93.1000109.6D106 L107 V108 M172 H189D106-H135 PolarHBondContact O-N 2.95Å; D106-H135 VanDerWaalsContact O-N 3.08Å; L107-H135 CarbonylContact C-O 3.56Å; L107-H135 WeakPolarHBondContact CA-O 3.44Å; L107-H135 HydrophobicContact CD1-CB 3.94Å; V108-H135 PolarHBondContact N-O 3.21Å; H135-M172 HydrophobicContact CB-CE 4.46Å; H135-H189 AromaticContact CE1-NE2 3.88Å; H135-H189 AromaticContact CG-NE2 3.9Å; H135-H189 AromaticContact ND1-CE1 3.7Å; H135-H189 AromaticContact ND1-NE2 2.93Å; H135-H189 PolarHBondContact ND1-NE2 3.41Å
136V98.4Very high95.5Very high0 Ų064.8 Ų64.80%032%0.319CS..EExtended strand (participates in β ladder)trans-114.3119174.2-168.80000108V108 T110 Y116 V119 L120 L123 H189 T190 C192V108-V136 HydrophobicContact CB-CG1 4.39Å; V108-V136 HydrophobicContact CB-CG2 4.36Å; V108-V136 HydrophobicContact CG1-CG1 4.42Å; V108-V136 CarbonylContact O-C 3.44Å; V108-V136 VanDerWaalsContact O-CA 3.31Å; V108-V136 WeakPolarHBondContact O-CA 3.18Å; 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 3.67Å; V119-V136 HydrophobicContact CG1-CG1 3.85Å; V119-V136 HydrophobicContact CG1-CG2 4.4Å; L120-V136 HydrophobicContact CD2-CB 4.02Å; L120-V136 HydrophobicContact CD2-CG1 4.09Å; L120-V136 HydrophobicContact CD2-CG2 4.04Å; L123-V136 HydrophobicContact CD1-CG2 3.94Å; V136-H189 WeakPolarHBondContact O-CA 3.49Å; V136-T190 PolarHBondContact N-O 2.93Å; V136-T190 PolarHBondContact O-N 3.01Å; V136-C192 HydrophobicContact CG2-CB 4.42Å
137I98.4Very high95.7Very high0 Ų064.9 Ų64.90%032%0.321CS..EExtended strand (participates in β ladder)trans-122.3129.6-177.6-61173000109.8L107 V108 I109 T110 L158 I162 M172 L176 F187 L188L107-I137 HydrophobicContact CD1-CB 4.46Å; L107-I137 HydrophobicContact CD1-CD1 3.56Å; L107-I137 HydrophobicContact CD1-CG1 3.96Å; V108-I137 PolarHBondContact O-N 3.13Å; I109-I137 CarbonylContact C-O 3.56Å; I109-I137 VanDerWaalsContact CA-O 3.28Å; I109-I137 WeakPolarHBondContact CA-O 3.35Å; T110-I137 PolarHBondContact N-O 2.91Å; I137-L158 HydrophobicContact CG2-CD2 4.21Å; I137-I162 HydrophobicContact CD1-CD1 4.22Å; I137-M172 HydrophobicContact CD1-CE 4.47Å; I137-M172 HydrophobicContact CD1-SD 3.72Å; I137-L176 HydrophobicContact CD1-CD1 4.23Å; I137-L176 HydrophobicContact CD1-CD2 4.17Å; I137-L176 HydrophobicContact CG1-CD1 4.45Å; I137-L176 HydrophobicContact CG2-CD2 4.26Å; I137-F187 HydrophobicContact CG2-CB 4.36Å; I137-F187 HydrophobicContact CG2-CD1 4.15Å; I137-L188 CarbonylContact C-O 3.58Å; I137-L188 WeakPolarHBondContact CA-O 3.49Å
138N98.5Very high95.9Very high3 Ų357.3 Ų57.32%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-94.2132.3171.9-17160.6000111.8T110 E112 E113 Y116 D140 L188T110-N138 PolarHBondContact O-OD1 3.42Å; T110-N138 VanDerWaalsContact OG1-CA 3.32Å; T110-N138 WeakPolarHBondContact OG1-CA 3.1Å; T110-N138 WeakPolarHBondContact OG1-CB 3.41Å; T110-N138 PolarHBondContact OG1-OD1 3.04Å; E112-N138 WeakPolarHBondContact CA-OD1 3.39Å; E112-N138 PolarHBondContact N-OD1 3.48Å; E112-N138 PolarHBondContact O-OD1 3.44Å; E112-N138 VanDerWaalsContact O-OD1 3.12Å; E113-N138 PolarHBondContact N-OD1 3.25Å; Y116-N138 HydrophobicContact CD2-CB 3.68Å; Y116-N138 HydrophobicContact CE2-CB 4.29Å; Y116-N138 HydrophobicContact CG-CB 3.97Å; N138-D140 PolarHBondContact ND2-OD1 3.03Å; 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 2.98Å
139V97.4Very high96.2Very high1 Ų155.9 Ų55.91%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-122.9108.9168.4-169.60000107.6I109 T110 C111 I141 L154 I155 F187I109-V139 HydrophobicContact CG2-CG2 3.86Å; T110-V139 PolarHBondContact O-N 3.14Å; C111-V139 CarbonylContact C-O 3.59Å; C111-V139 VanDerWaalsContact CA-O 3.24Å; C111-V139 WeakPolarHBondContact CA-O 3.49Å; V139-I141 HydrophobicContact CB-CD1 4.41Å; V139-I141 HydrophobicContact CB-CG1 4.49Å; V139-I141 HydrophobicContact CG1-CD1 4.27Å; V139-I141 HydrophobicContact CG1-CG1 4.09Å; V139-I141 WeakPolarHBondContact O-CG1 3.22Å; V139-I141 PolarHBondContact O-N 2.8Å; V139-I141 VanDerWaalsContact O-N 3.13Å; V139-L154 HydrophobicContact CG1-CD2 3.87Å; V139-I155 HydrophobicContact CG2-CG1 4.21Å; V139-F187 HydrophobicContact CB-CE1 4.26Å; V139-F187 HydrophobicContact CG1-CE1 3.92Å; V139-F187 HydrophobicContact CG2-CD1 3.81Å; V139-F187 HydrophobicContact CG2-CE1 3.65Å
140D96.9Very high96.5Very high83 Ų8353 Ų5344%0.44427%0.272SS..  trans-68.2114.5178.2-85.3-10.2000110.9E112 E113 N138E112-D140 VanDerWaalsContact CA-OD1 3.3Å; E112-D140 WeakPolarHBondContact CA-OD1 3.22Å; E113-D140 PolarHBondContact N-OD1 3.33Å; E113-D140 VanDerWaalsContact N-OD1 3.17Å; N138-D140 PolarHBondContact ND2-OD1 3.03Å
141I97.3Very high96.7Very high7 Ų750 Ų504%0.03625%0.253CS..  trans-126121.4-179.7-60165000108.1R18 C111 V139 E147 I155R18-I141 WeakPolarHBondContact CD-O 3.46Å; R18-I141 HydrophobicContact CG-CB 4.39Å; R18-I141 HydrophobicContact CG-CG2 3.82Å; R18-I141 PolarHBondContact NH1-O 2.87Å; C111-I141 HydrophobicContact CB-CB 4.46Å; C111-I141 HydrophobicContact CB-CD1 4.34Å; C111-I141 PolarHBondContact O-N 2.79Å; V139-I141 HydrophobicContact CB-CD1 4.41Å; V139-I141 HydrophobicContact CB-CG1 4.49Å; V139-I141 HydrophobicContact CG1-CD1 4.27Å; V139-I141 HydrophobicContact CG1-CG1 4.09Å; V139-I141 WeakPolarHBondContact O-CG1 3.22Å; V139-I141 PolarHBondContact O-N 2.8Å; V139-I141 VanDerWaalsContact O-N 3.13Å; I141-E147 HydrophobicContact CG2-CB 4.49Å; I141-E147 WeakPolarHBondContact CG2-O 3.31Å; I141-I155 HydrophobicContact CD1-CD1 3.63Å; I141-I155 HydrophobicContact CD1-CG1 4.39Å
142Q97.1Very high96.9Very high130 Ų13043.8 Ų43.861%0.60723%0.226SC*.  trans-64.4143.8176.5-57.2-173.8700110.9N144 E147Q142-N144 VanDerWaalsContact C-N 3.25Å; Q142-N144 PolarHBondContact O-N 3.46Å; Q142-E147 HydrophobicContact CB-CB 3.94Å; Q142-E147 HydrophobicContact CB-CG 3.95Å; Q142-E147 HydrophobicContact CG-CG 4.36Å
143D95.6Very high97.1Very high94 Ų9446.1 Ų46.150%0.50323%0.232SC..SBendtrans-84.763.2-173.7-152-0.5000113.1N17 R18N17-D143 WeakPolarHBondContact CB-OD1 3.36Å; N17-D143 PolarHBondContact ND2-OD1 2.71Å; R18-D143 IonicContact CZ-OD1 3.07Å; R18-D143 IonicContact CZ-OD2 3.94Å; R18-D143 IonicContact NE-OD1 3.99Å; R18-D143 PolarHBondContact NE-OD1 3.49Å; R18-D143 IonicContact NE-OD2 2.64Å; R18-D143 PolarHBondContact NE-OD2 3.26Å; R18-D143 IonicContact NH2-OD2 3.44Å; R18-D143 PolarHBondContact NH2-OD2 3.32Å
144N96.3Very high97.2Very high57 Ų5745.1 Ų45.131%0.30522%0.224SC..SBendtrans-134.2171.9169.770.167000110N17 Q142 E146 E147 A148N17-N144 PolarHBondContact ND2-O 2.65Å; N17-N144 VanDerWaalsContact ND2-O 3.09Å; Q142-N144 VanDerWaalsContact C-N 3.25Å; Q142-N144 PolarHBondContact O-N 3.46Å; N144-E146 PolarHBondContact OD1-N 2.65Å; N144-E146 VanDerWaalsContact OD1-N 3.1Å; N144-E147 WeakPolarHBondContact ND2-CG 3.45Å; N144-E147 PolarHBondContact OD1-N 3.07Å; N144-A148 WeakPolarHBondContact O-CB 3.34Å; N144-A148 PolarHBondContact O-N 3.35Å
145H94.2Very high97.2Very high83 Ų8345.1 Ų45.138%0.38422%0.224SC..Hα-helixtrans-70.6-37.9-173.5-62160.2000113.8N79 M84 T149N79-H145 PolarHBondContact O-CE1 3.2Å; N79-H145 VanDerWaalsContact O-CE1 3.28Å; M84-H145 VanDerWaalsContact CE-CD2 3.44Å; M84-H145 WeakPolarHBondContact CE-CD2 3.18Å; M84-H145 WeakPolarHBondContact CE-NE2 3.17Å; H145-T149 PolarHBondContact O-N 3.08Å; H145-T149 VanDerWaalsContact O-N 3.17Å; H145-T149 PolarHBondContact O-OG1 2.97Å
146E96.9Very high97.2Very high155 Ų15544.7 Ų44.772%0.72422%0.223SC*.Hα-helixtrans-70.2-51.1-176.5-65.1177.5-177.700110N144 A148 T149 L150N144-E146 PolarHBondContact OD1-N 2.65Å; N144-E146 VanDerWaalsContact OD1-N 3.1Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.24Å; E146-T149 WeakPolarHBondContact O-CB 3.43Å; E146-T149 PolarHBondContact O-N 3.03Å; E146-T149 VanDerWaalsContact O-N 3.07Å; E146-L150 PolarHBondContact O-N 3.33Å
147E97.6Very high97Very high42 Ų4249.7 Ų49.720%0.19625%0.246CC..Hα-helixtrans-65.9-34.8177.5-70.9-63.6133.700112I141 Q142 N144 T149 L150 G151 R185I141-E147 HydrophobicContact CG2-CB 4.49Å; I141-E147 WeakPolarHBondContact CG2-O 3.31Å; Q142-E147 HydrophobicContact CB-CB 3.94Å; Q142-E147 HydrophobicContact CB-CG 3.95Å; Q142-E147 HydrophobicContact CG-CG 4.36Å; N144-E147 WeakPolarHBondContact ND2-CG 3.45Å; N144-E147 PolarHBondContact OD1-N 3.07Å; E147-T149 VanDerWaalsContact C-N 3.25Å; E147-T149 PolarHBondContact O-N 3.46Å; E147-L150 PolarHBondContact O-N 2.67Å; E147-G151 PolarHBondContact O-N 3.44Å; E147-R185 IonicContact OE2-NH2 3.87Å; E147-R185 PolarHBondContact OE2-NH2 2.98Å
148A97.9Very high96.9Very high1 Ų149.8 Ų49.81%0.00825%0.246CC..Hα-helixtrans-60.7-36.4172.200000112.3N17 R18 E21 N144 E146 A152N17-A148 WeakPolarHBondContact OD1-CB 3.47Å; R18-A148 HydrophobicContact CG-CB 4.06Å; E21-A148 HydrophobicContact CB-CB 4.42Å; N144-A148 WeakPolarHBondContact O-CB 3.34Å; N144-A148 PolarHBondContact O-N 3.35Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.24Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 2.78Å
149T97.9Very high96.7Very high51 Ų5149.6 Ų49.631%0.31325%0.246SC..Hα-helixtrans-71.7-47.4177.8-57.10000111.1H145 E146 E147 A152 F153H145-T149 PolarHBondContact O-N 3.08Å; H145-T149 VanDerWaalsContact O-N 3.17Å; H145-T149 PolarHBondContact O-OG1 2.97Å; E146-T149 WeakPolarHBondContact O-CB 3.43Å; E146-T149 PolarHBondContact O-N 3.03Å; E146-T149 VanDerWaalsContact O-N 3.07Å; E147-T149 VanDerWaalsContact C-N 3.25Å; E147-T149 PolarHBondContact O-N 3.46Å; T149-A152 PolarHBondContact O-N 2.8Å; T149-F153 HydrophobicContact CG2-CD2 4.1Å; T149-F153 HydrophobicContact CG2-CE2 3.69Å; T149-F153 WeakPolarHBondContact O-CD2 3.39Å; T149-F153 PolarHBondContact O-N 3.02Å; T149-F153 VanDerWaalsContact O-N 3.12Å
150L96.8Very high96.6Very high97 Ų9752.8 Ų52.851%0.50826%0.26SS..Hα-helixtrans-60.9-45.6176.4-67.2175.8000111.5E146 E147 A152 F153 L154E146-L150 PolarHBondContact O-N 3.33Å; E147-L150 PolarHBondContact O-N 2.67Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 2.78Å; L150-F153 PolarHBondContact O-N 3.08Å; L150-L154 PolarHBondContact O-N 3.23Å
151G97Very high96.3Very high0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-61.6-38.9175.500000112.7E147 F153 L154 I155E147-G151 PolarHBondContact O-N 3.44Å; G151-F153 VanDerWaalsContact C-N 3.33Å; G151-F153 PolarHBondContact O-N 2.87Å; G151-L154 PolarHBondContact O-N 2.86Å; G151-I155 WeakPolarHBondContact O-CB 3.44Å; G151-I155 VanDerWaalsContact O-CG1 3.26Å; G151-I155 WeakPolarHBondContact O-CG1 3.22Å; G151-I155 PolarHBondContact O-N 3.17Å
152A98.1Very high96.1Very high1 Ų150.8 Ų50.81%0.00825%0.253CS..Hα-helixtrans-64.4-35.6175.800000112.8E21 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 3.53Å; I25-A152 HydrophobicContact CG1-CB 4.22Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 2.78Å; T149-A152 PolarHBondContact O-N 2.8Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 2.78Å; A152-C156 WeakPolarHBondContact O-CB 3.22Å; A152-C156 PolarHBondContact O-N 2.85Å
153F97.3Very high95.8Very high108 Ų10847.3 Ų47.347%0.47424%0.237SC..Hα-helixtrans-68.8-44.4172.4-75.8-63.6000112.2I25 T149 L150 G151 I155 C156 E157I25-F153 HydrophobicContact CD1-CD1 4Å; I25-F153 HydrophobicContact CD1-CD2 4.28Å; I25-F153 HydrophobicContact CD1-CE1 3.89Å; I25-F153 HydrophobicContact CD1-CE2 4.19Å; I25-F153 HydrophobicContact CD1-CG 4.19Å; I25-F153 HydrophobicContact CD1-CZ 3.99Å; T149-F153 HydrophobicContact CG2-CD2 4.1Å; T149-F153 HydrophobicContact CG2-CE2 3.69Å; T149-F153 WeakPolarHBondContact O-CD2 3.39Å; T149-F153 PolarHBondContact O-N 3.02Å; T149-F153 VanDerWaalsContact O-N 3.12Å; L150-F153 PolarHBondContact O-N 3.08Å; G151-F153 VanDerWaalsContact C-N 3.33Å; G151-F153 PolarHBondContact O-N 2.87Å; F153-I155 PolarHBondContact O-N 3.12Å; F153-C156 WeakPolarHBondContact O-CB 3.31Å; F153-C156 PolarHBondContact O-N 3.17Å; F153-C156 VanDerWaalsContact O-N 3.14Å; F153-E157 PolarHBondContact O-N 3.35Å
154L96.1Very high95.5Very high21 Ų2150.1 Ų50.111%0.1125%0.246CC..Hα-helixtrans-59.7-45.5176.4-179.562.2000111.5V139 L150 G151 C156 E157 L158 F179 F187V139-L154 HydrophobicContact CG1-CD2 3.87Å; L150-L154 PolarHBondContact O-N 3.23Å; G151-L154 PolarHBondContact O-N 2.86Å; L154-C156 VanDerWaalsContact C-N 3.31Å; L154-C156 PolarHBondContact O-N 3.47Å; L154-E157 PolarHBondContact O-N 3.04Å; L154-L158 WeakPolarHBondContact O-CB 3.3Å; L154-L158 PolarHBondContact O-N 2.82Å; L154-F179 HydrophobicContact CD1-CD1 4.16Å; L154-F179 HydrophobicContact CD1-CE1 4.31Å; L154-F187 HydrophobicContact CD1-CZ 4.5Å; L154-F187 HydrophobicContact CD2-CE1 4.47Å; L154-F187 HydrophobicContact CD2-CZ 4.15Å; L154-F187 HydrophobicContact CG-CZ 4.48Å
155I97.4Very high95.1Very high0 Ų048.5 Ų48.50%024%0.239CC..Hα-helixtrans-58.4-44.3174-74.6174.7000110.9V10 A22 L26 I109 V139 I141 G151 F153 E157 L158 C159V10-I155 HydrophobicContact CG1-CD1 4.15Å; V10-I155 HydrophobicContact CG2-CG2 4.45Å; A22-I155 HydrophobicContact CB-CD1 4.1Å; A22-I155 HydrophobicContact CB-CG2 4.39Å; L26-I155 HydrophobicContact CD1-CG2 3.94Å; L26-I155 HydrophobicContact CG-CG2 4.49Å; I109-I155 HydrophobicContact CD1-CG2 3.67Å; I109-I155 HydrophobicContact CG2-CD1 3.74Å; I109-I155 HydrophobicContact CG2-CG1 3.92Å; V139-I155 HydrophobicContact CG2-CG1 4.21Å; I141-I155 HydrophobicContact CD1-CD1 3.63Å; I141-I155 HydrophobicContact CD1-CG1 4.39Å; G151-I155 WeakPolarHBondContact O-CB 3.44Å; G151-I155 VanDerWaalsContact O-CG1 3.26Å; G151-I155 WeakPolarHBondContact O-CG1 3.22Å; G151-I155 PolarHBondContact O-N 3.17Å; F153-I155 PolarHBondContact O-N 3.12Å; I155-E157 PolarHBondContact O-N 3.08Å; I155-L158 PolarHBondContact O-N 2.85Å; I155-C159 PolarHBondContact O-N 3.42Å; I155-C159 PolarHBondContact O-SG 3.02Å
156C97.3Very high94.5Very high5 Ų552.5 Ų52.53%0.03426%0.263CS..Hα-helixtrans-63.6-41.1178.9-1760000112.4I25 L26 A152 F153 L154 Q160I25-C156 HydrophobicContact CG2-CB 3.86Å; L26-C156 HydrophobicContact CD2-CB 4.17Å; A152-C156 WeakPolarHBondContact O-CB 3.22Å; A152-C156 PolarHBondContact O-N 2.85Å; F153-C156 WeakPolarHBondContact O-CB 3.31Å; F153-C156 PolarHBondContact O-N 3.17Å; F153-C156 VanDerWaalsContact O-N 3.14Å; L154-C156 VanDerWaalsContact C-N 3.31Å; L154-C156 PolarHBondContact O-N 3.47Å; C156-Q160 WeakPolarHBondContact O-CB 3.44Å; C156-Q160 VanDerWaalsContact O-CG 3.23Å; C156-Q160 WeakPolarHBondContact O-CG 3.5Å; C156-Q160 PolarHBondContact O-N 3.48Å
157E95.4Very high93.9Very high105 Ų10548.2 Ų48.249%0.49125%0.245SC..Hα-helixtrans-64.8-44.8176.7-167.4178.8-17800110.8F153 L154 I155 C159 Q160 C161 F179F153-E157 PolarHBondContact O-N 3.35Å; L154-E157 PolarHBondContact O-N 3.04Å; I155-E157 PolarHBondContact O-N 3.08Å; E157-C159 PolarHBondContact O-N 3.42Å; E157-Q160 WeakPolarHBondContact O-CB 3.3Å; E157-Q160 PolarHBondContact O-N 3.04Å; E157-Q160 VanDerWaalsContact O-N 3.16Å; E157-C161 PolarHBondContact O-N 2.83Å; E157-C161 PolarHBondContact O-SG 3.39Å; E157-F179 HydrophobicContact CB-CE1 4.25Å; E157-F179 HydrophobicContact CB-CZ 4.43Å; E157-F179 HydrophobicContact CG-CE1 4.04Å; E157-F179 HydrophobicContact CG-CZ 3.95Å
158L94.9Very high93.3Very high1 Ų148.4 Ų48.41%0.00525%0.246CC..Hα-helixtrans-57.8-50.6175.1179.563000111.7I137 L154 I155 Q160 C161 I162 L175 L176 F179 F187I137-L158 HydrophobicContact CG2-CD2 4.21Å; L154-L158 WeakPolarHBondContact O-CB 3.3Å; L154-L158 PolarHBondContact O-N 2.82Å; I155-L158 PolarHBondContact O-N 2.85Å; L158-Q160 VanDerWaalsContact C-N 3.27Å; L158-Q160 PolarHBondContact O-N 3.31Å; L158-C161 PolarHBondContact O-N 2.96Å; L158-I162 HydrophobicContact CD1-CD1 3.92Å; L158-I162 HydrophobicContact CD1-CG1 4.35Å; L158-I162 HydrophobicContact CG-CD1 3.85Å; L158-I162 WeakPolarHBondContact O-CG1 3.4Å; L158-I162 PolarHBondContact O-N 3.44Å; L158-L175 HydrophobicContact CD1-CD2 3.52Å; L158-L176 HydrophobicContact CD1-CD2 3.99Å; L158-F179 HydrophobicContact CB-CE1 4.16Å; L158-F179 HydrophobicContact CB-CZ 4.39Å; L158-F179 HydrophobicContact CD1-CD1 4.39Å; L158-F179 HydrophobicContact CD1-CD2 4.22Å; L158-F179 HydrophobicContact CD1-CE1 4.49Å; L158-F179 HydrophobicContact CD1-CE2 4.3Å; L158-F179 HydrophobicContact CD1-CG 4.25Å; L158-F179 HydrophobicContact CD1-CZ 4.43Å; L158-F187 HydrophobicContact CD2-CE1 4.44Å
159C95.6Very high92.6Very high0 Ų054.6 Ų54.60%028%0.275CS..Hα-helixtrans-60.9-36.1176.9-67.80000112.4L6 L26 F31 I109 I155 E157 Q163L6-C159 HydrophobicContact CD2-CB 4.39Å; L26-C159 HydrophobicContact CD2-CB 3.95Å; F31-C159 HydrophobicContact CD1-CB 4.29Å; F31-C159 HydrophobicContact CE1-CB 3.61Å; F31-C159 HydrophobicContact CE2-CB 4.37Å; F31-C159 HydrophobicContact CZ-CB 3.67Å; I109-C159 VanDerWaalsContact CD1-SG 3.52Å; I155-C159 PolarHBondContact O-N 3.42Å; I155-C159 PolarHBondContact O-SG 3.02Å; E157-C159 PolarHBondContact O-N 3.42Å; C159-Q163 VanDerWaalsContact O-CB 3.29Å; C159-Q163 WeakPolarHBondContact O-CB 3.5Å; C159-Q163 PolarHBondContact O-N 3.45Å
160Q93.9Very high92Very high68 Ų6858.2 Ų58.232%0.31829%0.293SS..Hα-helixtrans-65.2-48.4175.2-76.9171.2-400110.8F31 C156 E157 L158 I162 Q163 H164F31-Q160 HydrophobicContact CE2-CG 3.99Å; F31-Q160 HydrophobicContact CZ-CB 4.5Å; F31-Q160 HydrophobicContact CZ-CG 3.74Å; C156-Q160 WeakPolarHBondContact O-CB 3.44Å; C156-Q160 VanDerWaalsContact O-CG 3.23Å; C156-Q160 WeakPolarHBondContact O-CG 3.5Å; C156-Q160 PolarHBondContact O-N 3.48Å; E157-Q160 WeakPolarHBondContact O-CB 3.3Å; E157-Q160 PolarHBondContact O-N 3.04Å; E157-Q160 VanDerWaalsContact O-N 3.16Å; L158-Q160 VanDerWaalsContact C-N 3.27Å; L158-Q160 PolarHBondContact O-N 3.31Å; Q160-I162 PolarHBondContact O-N 2.8Å; Q160-Q163 PolarHBondContact O-N 3.44Å; Q160-H164 PolarHBondContact O-N 2.87Å; Q160-H164 PolarHBondContact O-ND1 3.03Å
161C92.3Very high91.7Very high46 Ų4657.1 Ų57.131%0.31129%0.285SS..Hα-helixtrans-59.1-47.4178.1-70.50000111.4E157 L158 Q163 H164 T165 L175 F179E157-C161 PolarHBondContact O-N 2.83Å; E157-C161 PolarHBondContact O-SG 3.39Å; L158-C161 PolarHBondContact O-N 2.96Å; C161-Q163 VanDerWaalsContact C-N 3.32Å; C161-Q163 PolarHBondContact O-N 2.73Å; C161-H164 PolarHBondContact O-N 2.77Å; C161-H164 VanDerWaalsContact O-N 3.08Å; C161-T165 PolarHBondContact O-N 3.36Å; C161-L175 HydrophobicContact CB-CD1 3.89Å; C161-L175 HydrophobicContact CB-CD2 4.28Å; C161-L175 HydrophobicContact CB-CG 4.34Å; C161-F179 HydrophobicContact CB-CE2 3.7Å; C161-F179 HydrophobicContact CB-CZ 4Å; C161-F179 VanDerWaalsContact SG-CE2 3.58Å; C161-F179 VanDerWaalsContact SG-CZ 3.56Å
162I92.8Very high91.5Very high2 Ų257.3 Ų57.31%0.0129%0.286CS..Hα-helixtrans-60.6-39.5177.1-66.6166.7000111.6L6 L107 I137 L158 Q160 H164 T165 M168 M172 L175L6-I162 HydrophobicContact CD1-CG2 4.32Å; L6-I162 HydrophobicContact CD2-CG2 4.16Å; L107-I162 HydrophobicContact CD2-CD1 3.74Å; I137-I162 HydrophobicContact CD1-CD1 4.22Å; L158-I162 HydrophobicContact CD1-CD1 3.92Å; L158-I162 HydrophobicContact CD1-CG1 4.35Å; L158-I162 HydrophobicContact CG-CD1 3.85Å; L158-I162 WeakPolarHBondContact O-CG1 3.4Å; L158-I162 PolarHBondContact O-N 3.44Å; Q160-I162 PolarHBondContact O-N 2.8Å; I162-H164 PolarHBondContact O-N 3.36Å; I162-T165 PolarHBondContact O-N 3.36Å; I162-T165 PolarHBondContact O-OG1 3.12Å; I162-M168 HydrophobicContact CG2-CE 3.81Å; I162-M168 HydrophobicContact CG2-CG 3.95Å; I162-M168 HydrophobicContact CG2-SD 3.86Å; I162-M172 HydrophobicContact CD1-CE 3.93Å; I162-M172 HydrophobicContact CD1-SD 3.85Å; I162-M172 HydrophobicContact CG1-CE 4.09Å; I162-M172 HydrophobicContact CG1-SD 4.1Å; I162-M172 HydrophobicContact CG2-CE 4.07Å; I162-L175 HydrophobicContact CG1-CD1 4.06Å; I162-L175 HydrophobicContact CG1-CD2 4.08Å
163Q91.1Very high91.2Very high57 Ų5762.5 Ų62.527%0.26631%0.313SS..Hα-helixtrans-67.8-19.3179-178.7172.1-18.700113.5P2 F31 C159 Q160 C161P2-Q163 HydrophobicContact CG-CG 3.97Å; F31-Q163 HydrophobicContact CE1-CB 4.38Å; C159-Q163 VanDerWaalsContact O-CB 3.29Å; C159-Q163 WeakPolarHBondContact O-CB 3.5Å; C159-Q163 PolarHBondContact O-N 3.45Å; Q160-Q163 PolarHBondContact O-N 3.44Å; C161-Q163 VanDerWaalsContact C-N 3.32Å; C161-Q163 PolarHBondContact O-N 2.73Å
164H89.1Confident90.9Very high153 Ų15363.8 Ų63.871%0.70832%0.321SS*.THydrogen-bonded Turntrans-93.9-4.9178-69.387.4000113.5Q160 C161 I162Q160-H164 PolarHBondContact O-N 2.87Å; Q160-H164 PolarHBondContact O-ND1 3.03Å; C161-H164 PolarHBondContact O-N 2.77Å; C161-H164 VanDerWaalsContact O-N 3.08Å; I162-H164 PolarHBondContact O-N 3.36Å
165T87.3Confident90.8Very high23 Ų2363.8 Ų63.814%0.14132%0.321CS..  trans-75.2143.417363.40000110.2C161 I162 E171 L175C161-T165 PolarHBondContact O-N 3.36Å; I162-T165 PolarHBondContact O-N 3.36Å; I162-T165 PolarHBondContact O-OG1 3.12Å; T165-E171 VanDerWaalsContact CB-OE2 3.22Å; T165-E171 WeakPolarHBondContact CB-OE2 3.38Å; T165-E171 HydrophobicContact CG2-CB 4.18Å; T165-E171 VanDerWaalsContact CG2-OE2 3.22Å; T165-E171 WeakPolarHBondContact CG2-OE2 3.41Å; T165-L175 HydrophobicContact CG2-CD1 3.68Å
166D82.1Confident90.6Very high166 Ų16664.2 Ų64.289%0.88832%0.323SS*.SBendtrans-82.7-29176.4-74.9-36.3000110.7
167D85Confident90.4Very high65 Ų6568.7 Ų68.735%0.34834%0.343SS..  trans-132.191178.1-167.5-26.3000111.4E169 N170 E171D167-E169 VanDerWaalsContact C-N 3.29Å; D167-E169 PolarHBondContact O-N 3.5Å; D167-E169 PolarHBondContact OD1-N 2.9Å; D167-N170 HydrophobicContact CB-CB 4.44Å; D167-N170 VanDerWaalsContact CG-ND2 3.3Å; D167-N170 PolarHBondContact O-N 3.46Å; D167-N170 PolarHBondContact OD1-N 2.91Å; D167-N170 PolarHBondContact OD1-ND2 3.35Å; D167-N170 PolarHBondContact OD2-ND2 2.83Å; D167-E171 PolarHBondContact N-OE1 3.3Å; D167-E171 VanDerWaalsContact O-CB 3.28Å; D167-E171 WeakPolarHBondContact O-CB 3.45Å; D167-E171 WeakPolarHBondContact O-CG 3.42Å; D167-E171 PolarHBondContact O-N 2.79Å
168M84.7Confident90.3Very high47 Ų4768 Ų6823%0.23234%0.34CS..Hα-helixtrans-59.5-37.9-179.5-174-174.9-41.800112.8L6 I162 N170 M172L6-M168 HydrophobicContact CD1-CE 3.41Å; L6-M168 VanDerWaalsContact CD1-CE 3.41Å; L6-M168 HydrophobicContact CD1-SD 4.36Å; I162-M168 HydrophobicContact CG2-CE 3.81Å; I162-M168 HydrophobicContact CG2-CG 3.95Å; I162-M168 HydrophobicContact CG2-SD 3.86Å; M168-N170 PolarHBondContact O-N 3.3Å; M168-M172 HydrophobicContact CG-CE 3.36Å; M168-M172 WeakPolarHBondContact O-CB 3.22Å; M168-M172 PolarHBondContact O-N 3.42Å; M168-M172 HydrophobicContact SD-CE 3.85Å
169E82.3Confident90.1Very high130 Ų13068.4 Ų68.461%0.60734%0.342SS*.Hα-helixtrans-68.9-37.4-174.5-66.6-174176.600111.6D167D167-E169 VanDerWaalsContact C-N 3.29Å; D167-E169 PolarHBondContact O-N 3.5Å; D167-E169 PolarHBondContact OD1-N 2.9Å
170N86.3Confident89.9Confident128 Ų12870.8 Ų70.868%0.68435%0.353SS*.Hα-helixtrans-87.7-28.5-179.1-72.1-51.1000113.7D167 M168D167-N170 HydrophobicContact CB-CB 4.44Å; D167-N170 VanDerWaalsContact CG-ND2 3.3Å; D167-N170 PolarHBondContact O-N 3.46Å; D167-N170 PolarHBondContact OD1-N 2.91Å; D167-N170 PolarHBondContact OD1-ND2 3.35Å; D167-N170 PolarHBondContact OD2-ND2 2.83Å; M168-N170 PolarHBondContact O-N 3.3Å
171E90.3Very high89.8Confident74 Ų7473.3 Ų73.335%0.34637%0.369SS..Hα-helixtrans-95.1-10.7-174.3-64.2176.4-142.700113.9T165 D167 D173 E174 L175T165-E171 VanDerWaalsContact CB-OE2 3.22Å; T165-E171 WeakPolarHBondContact CB-OE2 3.38Å; T165-E171 HydrophobicContact CG2-CB 4.18Å; T165-E171 VanDerWaalsContact CG2-OE2 3.22Å; T165-E171 WeakPolarHBondContact CG2-OE2 3.41Å; D167-E171 PolarHBondContact N-OE1 3.3Å; D167-E171 VanDerWaalsContact O-CB 3.28Å; D167-E171 WeakPolarHBondContact O-CB 3.45Å; D167-E171 WeakPolarHBondContact O-CG 3.42Å; D167-E171 PolarHBondContact O-N 2.79Å; E171-D173 PolarHBondContact O-N 3.05Å; E171-E174 PolarHBondContact O-N 3.47Å; E171-L175 VanDerWaalsContact O-CB 3.31Å; E171-L175 WeakPolarHBondContact O-CB 3.34Å; E171-L175 PolarHBondContact O-N 3.36Å
172M92Very high89.6Confident3 Ų378 Ų782%0.01538%0.384CS..Hα-helixtrans-58.1-47.3-173.6-170.961.967.100113.2H135 I137 I162 M168 L175 L176H135-M172 HydrophobicContact CB-CE 4.46Å; I137-M172 HydrophobicContact CD1-CE 4.47Å; I137-M172 HydrophobicContact CD1-SD 3.72Å; I162-M172 HydrophobicContact CD1-CE 3.93Å; I162-M172 HydrophobicContact CD1-SD 3.85Å; I162-M172 HydrophobicContact CG1-CE 4.09Å; I162-M172 HydrophobicContact CG1-SD 4.1Å; I162-M172 HydrophobicContact CG2-CE 4.07Å; M168-M172 HydrophobicContact CG-CE 3.36Å; M168-M172 WeakPolarHBondContact O-CB 3.22Å; M168-M172 PolarHBondContact O-N 3.42Å; M168-M172 HydrophobicContact SD-CE 3.85Å; M172-L175 PolarHBondContact O-N 3.23Å; M172-L176 HydrophobicContact CG-CD1 3.97Å; M172-L176 HydrophobicContact CG-CG 4.35Å; M172-L176 WeakPolarHBondContact O-CB 3.4Å; M172-L176 VanDerWaalsContact O-CG 3.3Å; M172-L176 WeakPolarHBondContact O-CG 3.42Å; M172-L176 PolarHBondContact O-N 3.02Å; M172-L176 HydrophobicContact SD-CD1 4.29Å; M172-L176 HydrophobicContact SD-CG 4.25Å
173D91.5Very high89.3Confident110 Ų11079.6 Ų79.659%0.58840%0.395SS*.Hα-helixtrans-68.7-38.1-174.7-68.6-26.7000111.8E171 Q177 H189E171-D173 PolarHBondContact O-N 3.05Å; D173-Q177 WeakPolarHBondContact O-CB 3.37Å; D173-Q177 PolarHBondContact O-N 2.77Å; D173-H189 IonicContact OD1-CE1 3.24Å; D173-H189 IonicContact OD1-ND1 2.89Å; D173-H189 PolarHBondContact OD1-ND1 3.39Å
174E92.4Very high89.2Confident136 Ų13684.2 Ų84.264%0.63642%0.422SS*.Hα-helixtrans-66.7-44.3174.9-176.6172.7-172.600111.1E171 L176 Q177 E178E171-E174 PolarHBondContact O-N 3.47Å; E174-L176 PolarHBondContact O-N 3.24Å; E174-Q177 PolarHBondContact O-N 2.9Å; E174-E178 PolarHBondContact O-N 2.86Å
175L93.1Very high89.1Confident21 Ų2180.7 Ų80.711%0.1140%0.402CS..Hα-helixtrans-61.3-44.8177.3-171.4156.7000111.2L158 C161 I162 T165 E171 M172 E178 F179L158-L175 HydrophobicContact CD1-CD2 3.52Å; C161-L175 HydrophobicContact CB-CD1 3.89Å; C161-L175 HydrophobicContact CB-CD2 4.28Å; C161-L175 HydrophobicContact CB-CG 4.34Å; I162-L175 HydrophobicContact CG1-CD1 4.06Å; I162-L175 HydrophobicContact CG1-CD2 4.08Å; T165-L175 HydrophobicContact CG2-CD1 3.68Å; E171-L175 VanDerWaalsContact O-CB 3.31Å; E171-L175 WeakPolarHBondContact O-CB 3.34Å; E171-L175 PolarHBondContact O-N 3.36Å; M172-L175 PolarHBondContact O-N 3.23Å; L175-E178 PolarHBondContact O-N 2.95Å; L175-F179 HydrophobicContact CD2-CD2 3.67Å; L175-F179 HydrophobicContact CD2-CE2 3.8Å; L175-F179 HydrophobicContact CG-CD2 4.36Å; L175-F179 HydrophobicContact CG-CE2 4.42Å; L175-F179 WeakPolarHBondContact O-CD2 3.31Å; L175-F179 PolarHBondContact O-N 3.33Å
176L93.9Very high89.3Confident9 Ų984.1 Ų84.15%0.04743%0.425CS..Hα-helixtrans-63.2-43.6176.9-74.8178.3000111.7I137 L158 M172 E174 E178 F179 E180 F187 H189I137-L176 HydrophobicContact CD1-CD1 4.23Å; I137-L176 HydrophobicContact CD1-CD2 4.17Å; I137-L176 HydrophobicContact CG1-CD1 4.45Å; I137-L176 HydrophobicContact CG2-CD2 4.26Å; L158-L176 HydrophobicContact CD1-CD2 3.99Å; M172-L176 HydrophobicContact CG-CD1 3.97Å; M172-L176 HydrophobicContact CG-CG 4.35Å; M172-L176 WeakPolarHBondContact O-CB 3.4Å; M172-L176 VanDerWaalsContact O-CG 3.3Å; M172-L176 WeakPolarHBondContact O-CG 3.42Å; M172-L176 PolarHBondContact O-N 3.02Å; M172-L176 HydrophobicContact SD-CD1 4.29Å; M172-L176 HydrophobicContact SD-CG 4.25Å; E174-L176 PolarHBondContact O-N 3.24Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 3.39Å; L176-F179 CarbonylContact O-C 3.51Å; L176-F179 WeakPolarHBondContact O-CB 3.48Å; L176-F179 PolarHBondContact O-N 3.2Å; L176-F179 VanDerWaalsContact O-N 3.08Å; L176-E180 WeakPolarHBondContact O-CG 3.37Å; L176-E180 PolarHBondContact O-N 2.71Å; L176-F187 HydrophobicContact CD2-CB 3.98Å; L176-F187 HydrophobicContact CD2-CD2 4.48Å; L176-F187 HydrophobicContact CD2-CG 4.1Å; L176-H189 HydrophobicContact CD1-CB 3.55Å
177Q93.5Very high89.9Confident99 Ų9976.9 Ų76.946%0.46339%0.385SS..Hα-helixtrans-59.2-42.8176.3-170.164.168.900112D173 E174 F179 E180 D181D173-Q177 WeakPolarHBondContact O-CB 3.37Å; D173-Q177 PolarHBondContact O-N 2.77Å; E174-Q177 PolarHBondContact O-N 2.9Å; Q177-F179 VanDerWaalsContact C-N 3.31Å; Q177-F179 PolarHBondContact O-N 3.44Å; Q177-E180 PolarHBondContact NE2-OE2 3.27Å; Q177-E180 PolarHBondContact O-N 3.5Å; Q177-D181 PolarHBondContact O-N 3.35Å
178E91.7Very high90.4Very high91 Ų9177 Ų7743%0.42539%0.385SS..Hα-helixtrans-62.2-38.4174.6-73.8-164.6-174.100112.8E174 L175 L176 K182E174-E178 PolarHBondContact O-N 2.86Å; L175-E178 PolarHBondContact O-N 2.95Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 3.39Å; E178-K182 WeakPolarHBondContact O-CB 3.27Å; E178-K182 WeakPolarHBondContact O-CD 3.5Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.34Å; E178-K182 PolarHBondContact O-N 3.43Å; E178-K182 IonicContact OE2-NZ 2.78Å; E178-K182 PolarHBondContact OE2-NZ 2.93Å
179F91Very high91Very high9 Ų977 Ų774%0.03939%0.385CS..Hα-helixtrans-69.8-37.5177-96.6-97.5000111.9L154 E157 L158 C161 L175 L176 Q177 D181 K182 S183 F187L154-F179 HydrophobicContact CD1-CD1 4.16Å; L154-F179 HydrophobicContact CD1-CE1 4.31Å; E157-F179 HydrophobicContact CB-CE1 4.25Å; E157-F179 HydrophobicContact CB-CZ 4.43Å; E157-F179 HydrophobicContact CG-CE1 4.04Å; E157-F179 HydrophobicContact CG-CZ 3.95Å; L158-F179 HydrophobicContact CB-CE1 4.16Å; L158-F179 HydrophobicContact CB-CZ 4.39Å; L158-F179 HydrophobicContact CD1-CD1 4.39Å; L158-F179 HydrophobicContact CD1-CD2 4.22Å; L158-F179 HydrophobicContact CD1-CE1 4.49Å; L158-F179 HydrophobicContact CD1-CE2 4.3Å; L158-F179 HydrophobicContact CD1-CG 4.25Å; L158-F179 HydrophobicContact CD1-CZ 4.43Å; C161-F179 HydrophobicContact CB-CE2 3.7Å; C161-F179 HydrophobicContact CB-CZ 4Å; C161-F179 VanDerWaalsContact SG-CE2 3.58Å; C161-F179 VanDerWaalsContact SG-CZ 3.56Å; L175-F179 HydrophobicContact CD2-CD2 3.67Å; L175-F179 HydrophobicContact CD2-CE2 3.8Å; L175-F179 HydrophobicContact CG-CD2 4.36Å; L175-F179 HydrophobicContact CG-CE2 4.42Å; L175-F179 WeakPolarHBondContact O-CD2 3.31Å; L175-F179 PolarHBondContact O-N 3.33Å; L176-F179 CarbonylContact O-C 3.51Å; L176-F179 WeakPolarHBondContact O-CB 3.48Å; L176-F179 PolarHBondContact O-N 3.2Å; L176-F179 VanDerWaalsContact O-N 3.08Å; Q177-F179 VanDerWaalsContact C-N 3.31Å; Q177-F179 PolarHBondContact O-N 3.44Å; F179-D181 VanDerWaalsContact C-N 3.34Å; F179-K182 PolarHBondContact O-N 3.02Å; F179-S183 VanDerWaalsContact O-CB 3.23Å; F179-S183 WeakPolarHBondContact O-CB 3.46Å; F179-S183 PolarHBondContact O-N 3Å; F179-S183 PolarHBondContact O-OG 2.84Å; F179-F187 HydrophobicContact CB-CD2 4.37Å; F179-F187 HydrophobicContact CB-CE2 3.78Å; F179-F187 HydrophobicContact CB-CZ 4.29Å
180E92.6Very high91.8Very high49 Ų4973.4 Ų73.423%0.22937%0.372CS..Hα-helixtrans-58.6-48172.4-70.2-167.715400110.6L176 Q177 K182 N184 R185 P186 F187L176-E180 WeakPolarHBondContact O-CG 3.37Å; L176-E180 PolarHBondContact O-N 2.71Å; Q177-E180 PolarHBondContact NE2-OE2 3.27Å; Q177-E180 PolarHBondContact O-N 3.5Å; E180-K182 PolarHBondContact O-N 3.19Å; E180-N184 WeakPolarHBondContact O-CA 3.47Å; E180-N184 PolarHBondContact O-N 3.38Å; E180-R185 WeakPolarHBondContact CA-O 3.34Å; E180-R185 WeakPolarHBondContact CG-O 3.28Å; E180-P186 WeakPolarHBondContact OE1-CA 3.33Å; E180-F187 HydrophobicContact CG-CD2 3.56Å; E180-F187 HydrophobicContact CG-CE2 4.26Å; E180-F187 PolarHBondContact OE1-N 2.88Å
181D91.2Very high92.3Very high122 Ų12270 Ų7065%0.65236%0.356SS*.Hα-helixtrans-64.6-40.6-179.5-71.6-13.6000112.2Q177 F179Q177-D181 PolarHBondContact O-N 3.35Å; F179-D181 VanDerWaalsContact C-N 3.34Å
182K87.9Confident92.6Very high144 Ų14467.2 Ų67.263%0.62634%0.344SS*.Hα-helixtrans-73.6-40.1179.6-72.5167.9-167.9157.10112.8E178 F179 E180E178-K182 WeakPolarHBondContact O-CB 3.27Å; E178-K182 WeakPolarHBondContact O-CD 3.5Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.34Å; E178-K182 PolarHBondContact O-N 3.43Å; E178-K182 IonicContact OE2-NZ 2.78Å; E178-K182 PolarHBondContact OE2-NZ 2.93Å; F179-K182 PolarHBondContact O-N 3.02Å; E180-K182 PolarHBondContact O-N 3.19Å
183S85.7Confident92.8Very high35 Ų3571.2 Ų71.225%0.24536%0.362CS..Hα-helixtrans-94.1-14.4-173.670.60000113.7F179 R185F179-S183 VanDerWaalsContact O-CB 3.23Å; F179-S183 WeakPolarHBondContact O-CB 3.46Å; F179-S183 PolarHBondContact O-N 3Å; F179-S183 PolarHBondContact O-OG 2.84Å; S183-R185 PolarHBondContact O-N 3.24Å; S183-R185 PolarHBondContact OG-N 2.94Å
184N88.8Confident92.9Very high154 Ų15467 Ų6782%0.82434%0.338SS*.THydrogen-bonded Turntrans51.440.8-171.3-167.964.8000111.8E180E180-N184 WeakPolarHBondContact O-CA 3.47Å; E180-N184 PolarHBondContact O-N 3.38Å
185R87Confident93Very high80 Ų8063.6 Ų63.630%0.30232%0.323SS..  trans-132.8133.5178-66.8179.7179.5-149.8-2108.8E147 E180 S183 F187E147-R185 IonicContact OE2-NH2 3.87Å; E147-R185 PolarHBondContact OE2-NH2 2.98Å; E180-R185 WeakPolarHBondContact CA-O 3.34Å; E180-R185 WeakPolarHBondContact CG-O 3.28Å; S183-R185 PolarHBondContact O-N 3.24Å; S183-R185 PolarHBondContact OG-N 2.94Å; R185-F187 WeakPolarHBondContact O-CE2 3.09Å
186P91.5Very high93Very high95 Ų9565.8 Ų65.862%0.61733%0.334SS*.  trans-73.4146.2175.131.1-34000111E180E180-P186 WeakPolarHBondContact OE1-CA 3.33Å
187F94.7Very high92.9Very high13 Ų1369 Ų696%0.05735%0.35CS..EExtended strand (participates in β ladder)trans-117.1123.5171.1-64.7-86.7000109.4I137 V139 L154 L158 L176 F179 E180 R185I137-F187 HydrophobicContact CG2-CB 4.36Å; I137-F187 HydrophobicContact CG2-CD1 4.15Å; V139-F187 HydrophobicContact CB-CE1 4.26Å; V139-F187 HydrophobicContact CG1-CE1 3.92Å; V139-F187 HydrophobicContact CG2-CD1 3.81Å; V139-F187 HydrophobicContact CG2-CE1 3.65Å; L154-F187 HydrophobicContact CD1-CZ 4.5Å; L154-F187 HydrophobicContact CD2-CE1 4.47Å; L154-F187 HydrophobicContact CD2-CZ 4.15Å; L154-F187 HydrophobicContact CG-CZ 4.48Å; L158-F187 HydrophobicContact CD2-CE1 4.44Å; L176-F187 HydrophobicContact CD2-CB 3.98Å; L176-F187 HydrophobicContact CD2-CD2 4.48Å; L176-F187 HydrophobicContact CD2-CG 4.1Å; F179-F187 HydrophobicContact CB-CD2 4.37Å; F179-F187 HydrophobicContact CB-CE2 3.78Å; F179-F187 HydrophobicContact CB-CZ 4.29Å; E180-F187 HydrophobicContact CG-CD2 3.56Å; E180-F187 HydrophobicContact CG-CE2 4.26Å; E180-F187 PolarHBondContact OE1-N 2.88Å; R185-F187 WeakPolarHBondContact O-CE2 3.09Å
188L97.3Very high92.9Very high67 Ų6767.2 Ų67.235%0.35134%0.344SS..EExtended strand (participates in β ladder)trans-82138.9169.1-53177000108.4E113 Y116 I137 N138E113-L188 HydrophobicContact CG-CD1 3.99Å; Y116-L188 HydrophobicContact CD1-CD1 4.04Å; Y116-L188 HydrophobicContact CE1-CB 4.08Å; Y116-L188 HydrophobicContact CE1-CD1 4.18Å; Y116-L188 HydrophobicContact CE2-CB 4.2Å; I137-L188 CarbonylContact C-O 3.58Å; I137-L188 WeakPolarHBondContact CA-O 3.49Å; 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 2.98Å
189H97.4Very high93Very high48 Ų4865.8 Ų65.822%0.22234%0.339CS..EExtended strand (participates in β ladder)trans-136.4135.2-179.7174.3-135.9000110.5Y116 H135 V136 D173 L176Y116-H189 VanDerWaalsContact OH-C 3.26Å; H135-H189 AromaticContact CE1-NE2 3.88Å; H135-H189 AromaticContact CG-NE2 3.9Å; H135-H189 AromaticContact ND1-CE1 3.7Å; H135-H189 AromaticContact ND1-NE2 2.93Å; H135-H189 PolarHBondContact ND1-NE2 3.41Å; V136-H189 WeakPolarHBondContact O-CA 3.49Å; D173-H189 IonicContact OD1-CE1 3.24Å; D173-H189 IonicContact OD1-ND1 2.89Å; D173-H189 PolarHBondContact OD1-ND1 3.39Å; L176-H189 HydrophobicContact CD1-CB 3.55Å
190T97.3Very high93.1Very high55 Ų5569.5 Ų69.534%0.33736%0.358SS..EExtended strand (participates in β ladder)trans-151.9147.5171.8-72.20000109.7Y116 L120 V136Y116-T190 WeakPolarHBondContact OH-CB 3.41Å; Y116-T190 PolarHBondContact OH-N 2.99Å; Y116-T190 PolarHBondContact OH-OG1 2.8Å; L120-T190 HydrophobicContact CD1-CG2 4.48Å; L120-T190 HydrophobicContact CD2-CG2 4Å; V136-T190 PolarHBondContact N-O 2.93Å; V136-T190 PolarHBondContact O-N 3.01Å
191V96.9Very high93.1Very high56 Ų5671 Ų7134%0.33937%0.368SS..EExtended strand (participates in β ladder)trans-97.8130.5171.8-178.60000109.4P133 V134 F193P133-V191 HydrophobicContact CB-CG1 3.84Å; V134-V191 WeakPolarHBondContact O-CA 3.2Å; V191-F193 HydrophobicContact CG1-CE1 4.38Å; V191-F193 HydrophobicContact CG1-CE2 4.3Å; V191-F193 HydrophobicContact CG1-CZ 3.99Å
192C97Very high93.3Very high16 Ų1667.1 Ų67.111%0.10835%0.346CS..EExtended strand (participates in β ladder)trans-114172.5170.2-72.80000109.8L120 L123 P133 V134 V136L120-C192 VanDerWaalsContact CD2-SG 3.56Å; L123-C192 HydrophobicContact CB-CB 4.11Å; L123-C192 HydrophobicContact CD1-CB 3.78Å; P133-C192 CarbonylContact C-O 3.55Å; P133-C192 WeakPolarHBondContact CA-O 3.29Å; V134-C192 HydrophobicContact CG1-CB 3.77Å; V134-C192 PolarHBondContact N-O 3.28Å; V134-C192 PolarHBondContact O-N 3Å; V136-C192 HydrophobicContact CG2-CB 4.42Å
193F96.4Very high93.7Very high86 Ų8660.7 Ų60.738%0.37732%0.322SS..EExtended strand (participates in β ladder)trans-132.5137.8-178.8-59.9-88.1000110.5Q128 T132 P133 V191Q128-F193 HydrophobicContact CG-CB 4.35Å; T132-F193 WeakPolarHBondContact O-CA 3.4Å; P133-F193 HydrophobicContact CB-CD1 4.19Å; P133-F193 HydrophobicContact CB-CE1 3.94Å; V191-F193 HydrophobicContact CG1-CE1 4.38Å; V191-F193 HydrophobicContact CG1-CE2 4.3Å; V191-F193 HydrophobicContact CG1-CZ 3.99Å
194Y94.5Very high94.4Very high23 Ų2363 Ų639%0.0933%0.33CS..  trans-86.10175.4-67.9-63.5000113.9Q104 F105 L123 Q128 E129 T130 F131 T132 V134Q104-Y194 HydrophobicContact CB-CD2 3.71Å; Q104-Y194 HydrophobicContact CB-CE2 3.56Å; Q104-Y194 HydrophobicContact CB-CG 4.25Å; Q104-Y194 HydrophobicContact CG-CD1 4.03Å; Q104-Y194 HydrophobicContact CG-CD2 3.63Å; Q104-Y194 HydrophobicContact CG-CE1 4.33Å; Q104-Y194 HydrophobicContact CG-CE2 3.94Å; Q104-Y194 HydrophobicContact CG-CG 3.68Å; F105-Y194 PolarHBondContact N-OH 2.9Å; F105-Y194 WeakPolarHBondContact O-CE2 3.48Å; L123-Y194 HydrophobicContact CD2-CD1 4.39Å; L123-Y194 HydrophobicContact CD2-CE1 3.87Å; Q128-Y194 WeakPolarHBondContact CA-OXT 3.28Å; E129-Y194 PolarHBondContact N-O 2.86Å; E129-Y194 PolarHBondContact N-OXT 3.24Å; T130-Y194 CarbonylContact C-O 3.54Å; T130-Y194 WeakPolarHBondContact CA-O 3.37Å; T130-Y194 PolarHBondContact N-O 2.89Å; T130-Y194 WeakPolarHBondContact OG1-CB 3.45Å; T130-Y194 PolarHBondContact OG1-O 3.39Å; F131-Y194 PolarHBondContact N-O 3.47Å; T132-Y194 PolarHBondContact O-N 3Å; V134-Y194 HydrophobicContact CB-CD2 4.31Å; V134-Y194 HydrophobicContact CB-CE2 3.6Å; V134-Y194 HydrophobicContact CG1-CD2 4.3Å; V134-Y194 HydrophobicContact CG1-CE1 4.4Å; V134-Y194 HydrophobicContact CG1-CE2 3.82Å; V134-Y194 HydrophobicContact CG2-CE2 4.15Å

Retrieved 194 of 194 residues in 83 ms (Link to these results)

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