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Probable E3 ubiquitin-protein ligase HECTD2

E3 ubiquitin-protein ligase which accepts ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates.

AlphaFold DB , UniProt , Accession X6R824, Species HUMAN (Homo sapiens, Human), Gene HECTD2, Length 426 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
1M77.9Confident76.3Confident79 Ų7972.5 Ų72.539%0.38937%0.369SS..  0-48.10-72-49.1-66.800112E3 Y4 H5 R36M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.24Å; M1-Y4 HydrophobicContact CE-CD1 4.12Å; M1-Y4 PolarHBondContact O-N 2.93Å; M1-Y4 VanDerWaalsContact O-N 3.1Å; M1-H5 PolarHBondContact O-CD2 3.32Å; M1-H5 PolarHBondContact O-N 2.68Å; M1-R36 HydrophobicContact CE-CB 3.51Å; M1-R36 HydrophobicContact CG-CB 4.22Å; M1-R36 HydrophobicContact CG-CG 4.24Å; M1-R36 HydrophobicContact SD-CB 3.46Å; M1-R36 WeakPolarHBondContact SD-CB 3.37Å; M1-R36 HydrophobicContact SD-CG 3.95Å
2E80.5Confident74.3Confident168 Ų16881.1 Ų81.179%0.78542%0.417SS*.Hα-helixtrans-55.4-44.8175.9-66.7177.8175.800113.4Y4 H5 T6E2-Y4 VanDerWaalsContact C-N 3.35Å; E2-Y4 PolarHBondContact O-N 3.4Å; E2-H5 PolarHBondContact O-N 3.37Å; E2-T6 WeakPolarHBondContact O-CB 3.42Å; E2-T6 PolarHBondContact O-N 3.43Å; E2-T6 PolarHBondContact O-OG1 2.79Å
3E80.4Confident73.3Confident79 Ų7977.7 Ų77.737%0.36940%0.404SS..Hα-helixtrans-53-48.8171.8-78.6-67.7147.400112.8M1 T6 W7 S17 F18M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.24Å; E3-T6 WeakPolarHBondContact O-CB 3.5Å; E3-T6 PolarHBondContact O-N 2.82Å; E3-W7 PolarHBondContact O-N 3.27Å; E3-S17 PolarHBondContact O-OG 3.03Å; E3-S17 VanDerWaalsContact OE2-CA 3.23Å; E3-S17 WeakPolarHBondContact OE2-CA 2.77Å; E3-S17 WeakPolarHBondContact OE2-CB 3.47Å; E3-S17 PolarHBondContact OE2-OG 3.27Å; E3-F18 HydrophobicContact CG-CD2 4.44Å; E3-F18 PolarHBondContact OE2-N 3.11Å
4Y81.8Confident72.6Confident0 Ų086.9 Ų86.90%044%0.444CS..Hα-helixtrans-66.8-41.8-179174.5-108000112.4M1 E2 T6 W7 Q8 I33 D37 S296 A298 L301M1-Y4 HydrophobicContact CE-CD1 4.12Å; M1-Y4 PolarHBondContact O-N 2.93Å; M1-Y4 VanDerWaalsContact O-N 3.1Å; E2-Y4 VanDerWaalsContact C-N 3.35Å; E2-Y4 PolarHBondContact O-N 3.4Å; Y4-T6 VanDerWaalsContact C-N 3.31Å; Y4-T6 PolarHBondContact O-N 2.84Å; Y4-W7 AromaticContact CD2-CE3 3.92Å; Y4-W7 HydrophobicContact CD2-CE3 3.92Å; Y4-W7 HydrophobicContact CD2-CZ3 4.26Å; Y4-W7 AromaticContact CE2-CE3 3.93Å; Y4-W7 HydrophobicContact CE2-CE3 3.93Å; Y4-W7 AromaticContact CE2-CZ3 3.83Å; Y4-W7 HydrophobicContact CE2-CZ3 3.83Å; Y4-W7 PolarHBondContact O-N 2.87Å; Y4-Q8 HydrophobicContact CD1-CG 4.49Å; Y4-Q8 HydrophobicContact CD2-CG 4.49Å; Y4-Q8 VanDerWaalsContact CE1-CD 3.44Å; Y4-Q8 HydrophobicContact CE1-CG 4.07Å; Y4-Q8 VanDerWaalsContact CE1-NE2 3.31Å; Y4-Q8 HydrophobicContact CE2-CG 4.08Å; Y4-Q8 WeakPolarHBondContact O-CG 3.49Å; Y4-Q8 PolarHBondContact O-N 3.43Å; Y4-Q8 PolarHBondContact OH-NE2 2.94Å; Y4-I33 HydrophobicContact CD1-CG2 3.93Å; Y4-I33 HydrophobicContact CD2-CG2 3.49Å; Y4-I33 VanDerWaalsContact CD2-CG2 3.49Å; Y4-I33 HydrophobicContact CE1-CG2 4.18Å; Y4-I33 HydrophobicContact CE2-CG2 3.76Å; Y4-I33 HydrophobicContact CG-CG2 3.55Å; Y4-D37 HydrophobicContact CE1-CB 3.89Å; Y4-D37 VanDerWaalsContact CE1-OD1 3.23Å; Y4-D37 WeakPolarHBondContact CE1-OD1 3.41Å; Y4-D37 PolarHBondContact OH-OD1 3.22Å; Y4-S296 PolarHBondContact OH-OG 3.02Å; Y4-A298 HydrophobicContact CE2-CB 4.24Å; Y4-A298 WeakPolarHBondContact OH-CB 3.47Å; Y4-A298 PolarHBondContact OH-N 3.25Å; Y4-L301 HydrophobicContact CD2-CD1 4Å; Y4-L301 HydrophobicContact CE2-CD1 4.08Å
5H82.3Confident72.5Confident70 Ų7092.4 Ų92.432%0.32446%0.457SS..Hα-helixtrans-64.5-37.1173.8-68.6-51.2000112.2M1 E2 Q8 N9M1-H5 PolarHBondContact O-CD2 3.32Å; M1-H5 PolarHBondContact O-N 2.68Å; E2-H5 PolarHBondContact O-N 3.37Å; H5-Q8 PolarHBondContact O-N 2.93Å; H5-N9 WeakPolarHBondContact O-CB 3.4Å; H5-N9 PolarHBondContact O-N 3.4Å; H5-N9 PolarHBondContact O-ND2 2.97Å; H5-N9 VanDerWaalsContact O-ND2 3.12Å
6T80.4Confident73Confident45 Ų4594.2 Ų94.228%0.27646%0.461SS..Hα-helixtrans-63-46.9174.9-57.60000110.1E2 E3 Y4 N9 F10E2-T6 WeakPolarHBondContact O-CB 3.42Å; E2-T6 PolarHBondContact O-N 3.43Å; E2-T6 PolarHBondContact O-OG1 2.79Å; E3-T6 WeakPolarHBondContact O-CB 3.5Å; E3-T6 PolarHBondContact O-N 2.82Å; Y4-T6 VanDerWaalsContact C-N 3.31Å; Y4-T6 PolarHBondContact O-N 2.84Å; T6-N9 PolarHBondContact O-N 2.99Å; T6-F10 HydrophobicContact CG2-CD2 4.03Å; T6-F10 WeakPolarHBondContact O-CA 3.31Å; T6-F10 VanDerWaalsContact O-CB 3.3Å; T6-F10 WeakPolarHBondContact O-CB 3.47Å; T6-F10 VanDerWaalsContact O-CD2 3.32Å; T6-F10 WeakPolarHBondContact O-CD2 3.44Å; T6-F10 PolarHBondContact O-N 3.4Å
7W82.5Confident73.6Confident35 Ų3588.8 Ų88.813%0.13344%0.435CS..Hα-helixtrans-62.6-43.2176.2176.574.6000113.2E3 Y4 G11 C19 N297 M300 L301E3-W7 PolarHBondContact O-N 3.27Å; Y4-W7 AromaticContact CD2-CE3 3.92Å; Y4-W7 HydrophobicContact CD2-CE3 3.92Å; Y4-W7 HydrophobicContact CD2-CZ3 4.26Å; Y4-W7 AromaticContact CE2-CE3 3.93Å; Y4-W7 HydrophobicContact CE2-CE3 3.93Å; Y4-W7 AromaticContact CE2-CZ3 3.83Å; Y4-W7 HydrophobicContact CE2-CZ3 3.83Å; Y4-W7 PolarHBondContact O-N 2.87Å; W7-G11 VanDerWaalsContact O-CA 3.24Å; W7-G11 WeakPolarHBondContact O-CA 3.45Å; W7-G11 PolarHBondContact O-N 3.01Å; W7-C19 HydrophobicContact CB-CB 3.61Å; W7-C19 HydrophobicContact CD2-CB 3.7Å; W7-C19 HydrophobicContact CE3-CB 4.15Å; W7-C19 HydrophobicContact CG-CB 3.43Å; W7-C19 VanDerWaalsContact CG-CB 3.43Å; W7-N297 HydrophobicContact CH2-CB 3.69Å; W7-N297 WeakPolarHBondContact CH2-O 3.47Å; W7-N297 HydrophobicContact CZ3-CB 3.53Å; W7-M300 HydrophobicContact CH2-CB 4.14Å; W7-M300 HydrophobicContact CH2-SD 4.05Å; W7-M300 HydrophobicContact CZ2-SD 4.31Å; W7-L301 HydrophobicContact CH2-CD2 4.19Å; W7-L301 HydrophobicContact CZ2-CD2 4.41Å; W7-L301 HydrophobicContact CZ3-CD2 4.31Å
8Q79.7Confident74.1Confident59 Ų5989.5 Ų89.528%0.27644%0.436SS..Hα-helixtrans-61.8-45.1176.9-80.4-170.1-30.900112.8Y4 H5 D37Y4-Q8 HydrophobicContact CD1-CG 4.49Å; Y4-Q8 HydrophobicContact CD2-CG 4.49Å; Y4-Q8 VanDerWaalsContact CE1-CD 3.44Å; Y4-Q8 HydrophobicContact CE1-CG 4.07Å; Y4-Q8 VanDerWaalsContact CE1-NE2 3.31Å; Y4-Q8 HydrophobicContact CE2-CG 4.08Å; Y4-Q8 WeakPolarHBondContact O-CG 3.49Å; Y4-Q8 PolarHBondContact O-N 3.43Å; Y4-Q8 PolarHBondContact OH-NE2 2.94Å; H5-Q8 PolarHBondContact O-N 2.93Å; Q8-D37 PolarHBondContact NE2-OD1 3.03Å
9N73.5Confident74.7Confident118 Ų11884.9 Ų84.963%0.63141%0.414SS*.Hα-helixtrans-81.9-25.4-174.5-68.8-33.5000113.1H5 T6H5-N9 WeakPolarHBondContact O-CB 3.4Å; H5-N9 PolarHBondContact O-N 3.4Å; H5-N9 PolarHBondContact O-ND2 2.97Å; H5-N9 VanDerWaalsContact O-ND2 3.12Å; T6-N9 PolarHBondContact O-N 2.99Å
10F66.2Low75.2Confident103 Ų10384.1 Ų84.145%0.45241%0.409SS..  trans-12930.5-170.7-54.4-77000112.7T6 N12 S13T6-F10 HydrophobicContact CG2-CD2 4.03Å; T6-F10 WeakPolarHBondContact O-CA 3.31Å; T6-F10 VanDerWaalsContact O-CB 3.3Å; T6-F10 WeakPolarHBondContact O-CB 3.47Å; T6-F10 VanDerWaalsContact O-CD2 3.32Å; T6-F10 WeakPolarHBondContact O-CD2 3.44Å; T6-F10 PolarHBondContact O-N 3.4Å; F10-N12 PolarHBondContact O-N 3.08Å; F10-S13 WeakPolarHBondContact CB-OG 3.48Å; F10-S13 VanDerWaalsContact O-CB 3.31Å; F10-S13 WeakPolarHBondContact O-CB 3.4Å; F10-S13 PolarHBondContact O-N 3.3Å; F10-S13 PolarHBondContact O-OG 3Å
11G53.9Low75.8Confident41 Ų4185.1 Ų85.142%0.42341%0.409SS..THydrogen-bonded Turntrans-54.3-19.2-17500000115.9W7W7-G11 VanDerWaalsContact O-CA 3.24Å; W7-G11 WeakPolarHBondContact O-CA 3.45Å; W7-G11 PolarHBondContact O-N 3.01Å
12N52.8Low76.2Confident176 Ų17683 Ų8394%0.94140%0.401SS*.THydrogen-bonded Turntrans-104.610.9174.2-73.3-10.8000114.3F10F10-N12 PolarHBondContact O-N 3.08Å
13S61.3Low76.5Confident37 Ų3782.3 Ų82.326%0.25940%0.396SS..SBendtrans-91.6154.117980.90000112.1F10 R15F10-S13 WeakPolarHBondContact CB-OG 3.48Å; F10-S13 VanDerWaalsContact O-CB 3.31Å; F10-S13 WeakPolarHBondContact O-CB 3.4Å; F10-S13 PolarHBondContact O-N 3.3Å; F10-S13 PolarHBondContact O-OG 3Å; S13-R15 PolarHBondContact O-N 2.92Å; S13-R15 VanDerWaalsContact O-N 3.07Å; S13-R15 PolarHBondContact OG-N 3.08Å
14H63.2Low77Confident207 Ų20782.8 Ų82.896%0.95840%0.404SS*.SBendtrans-70.16.8172.4-64.4-62.1000114.2F16H14-F16 PolarHBondContact O-N 2.94Å
15R71.9Confident77.3Confident169 Ų16984 Ų8464%0.63841%0.41SS*.  trans-79.2123.6177.8-69.2-172.7174.4178.6-1.1109.2S13 S17 Q20S13-R15 PolarHBondContact O-N 2.92Å; S13-R15 VanDerWaalsContact O-N 3.07Å; S13-R15 PolarHBondContact OG-N 3.08Å; R15-S17 PolarHBondContact O-N 2.83Å; R15-Q20 PolarHBondContact O-NE2 2.83Å
16F80.1Confident77.7Confident121 Ų12184 Ų8453%0.53142%0.418SS..  trans-58.2134.6173.4175.3-95.6000110.3H14 F18 Y21H14-F16 PolarHBondContact O-N 2.94Å; F16-F18 HydrophobicContact CE1-CD1 4.27Å; F16-F18 HydrophobicContact CE1-CD2 4.04Å; F16-F18 HydrophobicContact CE1-CE1 4.11Å; F16-F18 AromaticContact CE1-CE2 3.88Å; F16-F18 HydrophobicContact CE1-CE2 3.88Å; F16-F18 HydrophobicContact CE1-CG 4.24Å; F16-F18 AromaticContact CE1-CZ 3.92Å; F16-F18 HydrophobicContact CE1-CZ 3.92Å; F16-F18 HydrophobicContact CZ-CD1 4.07Å; F16-F18 AromaticContact CZ-CE1 3.99Å; F16-F18 HydrophobicContact CZ-CE1 3.99Å; F16-F18 HydrophobicContact CZ-CG 4.41Å; F16-F18 HydrophobicContact CZ-CZ 4.24Å; F16-Y21 HydrophobicContact CD2-CE2 4.02Å; F16-Y21 AromaticContact CE2-CD2 3.92Å; F16-Y21 HydrophobicContact CE2-CD2 3.92Å; F16-Y21 AromaticContact CE2-CE2 3.68Å; F16-Y21 HydrophobicContact CE2-CE2 3.68Å
17S82.3Confident78Confident2 Ų283.5 Ų83.51%0.01442%0.415CS..  trans-141.4141.8164178.80000110.4E3 R15 C19 Q20E3-S17 PolarHBondContact O-OG 3.03Å; E3-S17 VanDerWaalsContact OE2-CA 3.23Å; E3-S17 WeakPolarHBondContact OE2-CA 2.77Å; E3-S17 WeakPolarHBondContact OE2-CB 3.47Å; E3-S17 PolarHBondContact OE2-OG 3.27Å; R15-S17 PolarHBondContact O-N 2.83Å; S17-C19 PolarHBondContact O-N 3.26Å; S17-C19 VanDerWaalsContact O-N 3.11Å; S17-C19 PolarHBondContact OG-N 3.42Å; S17-Q20 VanDerWaalsContact O-CB 3.28Å; S17-Q20 WeakPolarHBondContact O-CB 3.42Å; S17-Q20 PolarHBondContact O-N 3.2Å; S17-Q20 PolarHBondContact O-OE1 2.97Å
18F84Confident78.2Confident102 Ų10284.3 Ų84.345%0.44743%0.429SS..G310 helixtrans-58.8-25174.4-71-78.9000112.8E3 F16 Q20 Y21 I25E3-F18 HydrophobicContact CG-CD2 4.44Å; E3-F18 PolarHBondContact OE2-N 3.11Å; F16-F18 HydrophobicContact CE1-CD1 4.27Å; F16-F18 HydrophobicContact CE1-CD2 4.04Å; F16-F18 HydrophobicContact CE1-CE1 4.11Å; F16-F18 AromaticContact CE1-CE2 3.88Å; F16-F18 HydrophobicContact CE1-CE2 3.88Å; F16-F18 HydrophobicContact CE1-CG 4.24Å; F16-F18 AromaticContact CE1-CZ 3.92Å; F16-F18 HydrophobicContact CE1-CZ 3.92Å; F16-F18 HydrophobicContact CZ-CD1 4.07Å; F16-F18 AromaticContact CZ-CE1 3.99Å; F16-F18 HydrophobicContact CZ-CE1 3.99Å; F16-F18 HydrophobicContact CZ-CG 4.41Å; F16-F18 HydrophobicContact CZ-CZ 4.24Å; F18-Q20 PolarHBondContact O-N 3.1Å; F18-Y21 CarbonylContact O-C 3.27Å; F18-Y21 VanDerWaalsContact O-C 3.27Å; F18-Y21 PolarHBondContact O-N 2.88Å; F18-I25 HydrophobicContact CB-CD1 4.39Å; F18-I25 HydrophobicContact CB-CG1 4.44Å
19C84.3Confident78.6Confident3 Ų383.2 Ų83.22%0.0243%0.43CS..G310 helixtrans-68.1-16.4176.3-63.20000113.1W7 S17 L301W7-C19 HydrophobicContact CB-CB 3.61Å; W7-C19 HydrophobicContact CD2-CB 3.7Å; W7-C19 HydrophobicContact CE3-CB 4.15Å; W7-C19 HydrophobicContact CG-CB 3.43Å; W7-C19 VanDerWaalsContact CG-CB 3.43Å; S17-C19 PolarHBondContact O-N 3.26Å; S17-C19 VanDerWaalsContact O-N 3.11Å; S17-C19 PolarHBondContact OG-N 3.42Å; C19-L301 HydrophobicContact CB-CD2 3.94Å; C19-L301 WeakPolarHBondContact O-CD2 3.35Å
20Q84.2Confident79.4Confident68 Ų6877.6 Ų77.632%0.31840%0.4SS..G310 helixtrans-73.9-19169.9-62.8170.6-40.800112.3R15 S17 F18 P22R15-Q20 PolarHBondContact O-NE2 2.83Å; S17-Q20 VanDerWaalsContact O-CB 3.28Å; S17-Q20 WeakPolarHBondContact O-CB 3.42Å; S17-Q20 PolarHBondContact O-N 3.2Å; S17-Q20 PolarHBondContact O-OE1 2.97Å; F18-Q20 PolarHBondContact O-N 3.1Å; Q20-P22 VanDerWaalsContact C-CD 3.47Å; Q20-P22 WeakPolarHBondContact O-CD 3.49Å
21Y87.8Confident80.4Confident106 Ų10674.3 Ų74.342%0.41639%0.386SS..SBendtrans-124.967.6-179.6-55.9-80.1000110.4F16 F18 F23 V24F16-Y21 HydrophobicContact CD2-CE2 4.02Å; F16-Y21 AromaticContact CE2-CD2 3.92Å; F16-Y21 HydrophobicContact CE2-CD2 3.92Å; F16-Y21 AromaticContact CE2-CE2 3.68Å; F16-Y21 HydrophobicContact CE2-CE2 3.68Å; F18-Y21 CarbonylContact O-C 3.27Å; F18-Y21 VanDerWaalsContact O-C 3.27Å; F18-Y21 PolarHBondContact O-N 2.88Å; Y21-F23 AromaticContact CD1-CE1 3.8Å; Y21-F23 HydrophobicContact CD1-CE1 3.8Å; Y21-F23 HydrophobicContact CD1-CZ 4.06Å; Y21-F23 HydrophobicContact CG-CE1 4.26Å; Y21-F23 HydrophobicContact CG-CZ 4.44Å; Y21-F23 PolarHBondContact O-N 2.95Å; Y21-V24 PolarHBondContact O-N 3.36Å
22P86.8Confident82.1Confident33 Ų3377 Ų7721%0.21439%0.389CS..G310 helixtrans-59.7-19.4-171.3-22.732.7000114.7Q20 V24 I25 K30 L301Q20-P22 VanDerWaalsContact C-CD 3.47Å; Q20-P22 WeakPolarHBondContact O-CD 3.49Å; P22-V24 PolarHBondContact O-N 2.53Å; P22-I25 PolarHBondContact O-N 2.84Å; P22-K30 WeakPolarHBondContact O-CE 3.23Å; P22-K30 PolarHBondContact O-NZ 3.37Å; P22-L301 HydrophobicContact CB-CB 4.35Å; P22-L301 HydrophobicContact CB-CD2 4.34Å; P22-L301 WeakPolarHBondContact CB-O 3.14Å; P22-L301 HydrophobicContact CG-CD2 3.91Å
23F87.6Confident83.8Confident155 Ų15569.5 Ų69.568%0.6835%0.349SS*.G310 helixtrans-66.9-20177.464.1-95.4000113.9Y21Y21-F23 AromaticContact CD1-CE1 3.8Å; Y21-F23 HydrophobicContact CD1-CE1 3.8Å; Y21-F23 HydrophobicContact CD1-CZ 4.06Å; Y21-F23 HydrophobicContact CG-CE1 4.26Å; Y21-F23 HydrophobicContact CG-CZ 4.44Å; Y21-F23 PolarHBondContact O-N 2.95Å
24V89.9Confident85.1Confident88 Ų8868.2 Ų68.253%0.53334%0.339SS..G310 helixtrans-84.2-18.7177.3-168.30000111.5Y21 P22Y21-V24 PolarHBondContact O-N 3.36Å; P22-V24 PolarHBondContact O-N 2.53Å
25I89.6Confident86.3Confident25 Ų2561.3 Ų61.313%0.12831%0.307CS..SBendtrans-87.5128.3-177-51.5179000109.1F18 P22 A29 K30F18-I25 HydrophobicContact CB-CD1 4.39Å; F18-I25 HydrophobicContact CB-CG1 4.44Å; P22-I25 PolarHBondContact O-N 2.84Å; I25-A29 HydrophobicContact CG2-CB 3.65Å; I25-K30 HydrophobicContact CB-CG 4.12Å; I25-K30 HydrophobicContact CG2-CG 3.65Å; I25-K30 WeakPolarHBondContact O-CE 3.44Å
26S89.3Confident87.1Confident71 Ų7159.9 Ų59.950%0.49730%0.302SS..  trans-67.5154175.670.50000112.2A28 A29 K30S26-A28 PolarHBondContact O-N 3.43Å; S26-A29 PolarHBondContact O-N 2.81Å; S26-A29 WeakPolarHBondContact OG-CB 3.37Å; S26-A29 PolarHBondContact OG-N 2.96Å; S26-K30 WeakPolarHBondContact O-CG 3.07Å; S26-K30 PolarHBondContact O-N 2.85Å
27V87.1Confident87.6Confident35 Ų3554.7 Ų54.721%0.21228%0.28CS..Hα-helixtrans-57.3-39.1177.4-174.50000111.6A29 K30 K31 E306 I309 V368V27-A29 PolarHBondContact O-N 3.36Å; V27-K30 PolarHBondContact O-N 2.88Å; V27-K31 PolarHBondContact O-N 3.26Å; V27-E306 HydrophobicContact CG1-CB 4.4Å; V27-E306 HydrophobicContact CG1-CG 4.43Å; V27-E306 HydrophobicContact CG2-CG 3.74Å; V27-I309 HydrophobicContact CG1-CG2 4.12Å; V27-V368 HydrophobicContact CG1-CG1 4.18Å
28A86.1Confident87.9Confident51 Ų5154.9 Ų54.942%0.42128%0.281SS..Hα-helixtrans-61.7-41.8175.900000112.3S26 K31 I32S26-A28 PolarHBondContact O-N 3.43Å; A28-K31 WeakPolarHBondContact O-CB 3.49Å; A28-K31 PolarHBondContact O-N 2.91Å; A28-I32 WeakPolarHBondContact O-CG1 3.08Å; A28-I32 PolarHBondContact O-N 2.84Å
29A88.6Confident88.1Confident36 Ų3653.4 Ų53.430%0.29828%0.275SS..Hα-helixtrans-68.7-40.3175.800000111.8I25 S26 V27 K31 I32 I33I25-A29 HydrophobicContact CG2-CB 3.65Å; S26-A29 PolarHBondContact O-N 2.81Å; S26-A29 WeakPolarHBondContact OG-CB 3.37Å; S26-A29 PolarHBondContact OG-N 2.96Å; V27-A29 PolarHBondContact O-N 3.36Å; A29-K31 PolarHBondContact O-N 3.16Å; A29-I32 PolarHBondContact O-N 2.68Å; A29-I33 WeakPolarHBondContact O-CG1 3.19Å; A29-I33 PolarHBondContact O-N 3.09Å
30K90.1Very high88.3Confident1 Ų157.3 Ų57.30%0.00429%0.294CS..Hα-helixtrans-61-41.9174.3-66.7-179.9-172.9179.70112.1P22 I25 S26 V27 I32 I33 I34 L301 L302 E306P22-K30 WeakPolarHBondContact O-CE 3.23Å; P22-K30 PolarHBondContact O-NZ 3.37Å; I25-K30 HydrophobicContact CB-CG 4.12Å; I25-K30 HydrophobicContact CG2-CG 3.65Å; I25-K30 WeakPolarHBondContact O-CE 3.44Å; S26-K30 WeakPolarHBondContact O-CG 3.07Å; S26-K30 PolarHBondContact O-N 2.85Å; V27-K30 PolarHBondContact O-N 2.88Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 3.34Å; K30-I33 WeakPolarHBondContact O-CB 3.49Å; K30-I33 PolarHBondContact O-N 2.79Å; K30-I34 WeakPolarHBondContact O-CG1 3.49Å; K30-I34 PolarHBondContact O-N 3.4Å; K30-L301 WeakPolarHBondContact CD-O 3.49Å; K30-L301 WeakPolarHBondContact CE-O 3.27Å; K30-L301 PolarHBondContact NZ-O 2.97Å; K30-L302 HydrophobicContact CB-CD2 4.08Å; K30-L302 HydrophobicContact CD-CD2 4.03Å; K30-E306 WeakPolarHBondContact CD-OE2 3.15Å; K30-E306 VanDerWaalsContact NZ-CD 3.25Å; K30-E306 IonicContact NZ-OE1 3.95Å; K30-E306 PolarHBondContact NZ-OE1 3.13Å; K30-E306 IonicContact NZ-OE2 3.95Å; K30-E306 PolarHBondContact NZ-OE2 3.18Å
31K87.6Confident88.5Confident34 Ų3455.9 Ų55.915%0.14829%0.287CS..Hα-helixtrans-54.1-49.3172.1170.1176.8174.3-163.50111.3V27 A28 A29 I33 I34 Q35 L310 V368 D373V27-K31 PolarHBondContact O-N 3.26Å; A28-K31 WeakPolarHBondContact O-CB 3.49Å; A28-K31 PolarHBondContact O-N 2.91Å; A29-K31 PolarHBondContact O-N 3.16Å; K31-I33 VanDerWaalsContact C-N 3.29Å; K31-I33 PolarHBondContact O-N 3.35Å; K31-I34 PolarHBondContact O-N 3.37Å; K31-Q35 WeakPolarHBondContact O-CB 3.37Å; K31-Q35 PolarHBondContact O-N 3.2Å; K31-L310 HydrophobicContact CB-CD2 3.82Å; K31-L310 HydrophobicContact CG-CD2 4.09Å; K31-V368 HydrophobicContact CB-CG1 4.16Å; K31-V368 HydrophobicContact CD-CB 3.61Å; K31-V368 HydrophobicContact CD-CG1 3.64Å; K31-V368 HydrophobicContact CG-CG1 4.48Å; K31-D373 IonicContact NZ-OD2 3.43Å; K31-D373 PolarHBondContact NZ-OD2 3Å
32I88.6Confident88.5Confident96 Ų9651.9 Ų51.949%0.49227%0.272SS..Hα-helixtrans-60.9-41.7-179.6-66.3166.8000110.4A28 A29 K30 Q35 R36A28-I32 WeakPolarHBondContact O-CG1 3.08Å; A28-I32 PolarHBondContact O-N 2.84Å; A29-I32 PolarHBondContact O-N 2.68Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 3.34Å; I32-Q35 PolarHBondContact O-N 2.94Å; I32-R36 HydrophobicContact CG2-CG 4.22Å; I32-R36 WeakPolarHBondContact O-CB 3.22Å; I32-R36 WeakPolarHBondContact O-CG 3.3Å; I32-R36 PolarHBondContact O-N 2.94Å
33I90Very high88.6Confident19 Ų1955.1 Ų55.110%0.09729%0.287CS..Hα-helixtrans-59.6-50.5176.2-67167.9000110.6Y4 A29 K30 K31 Q35 R36 D37 L301Y4-I33 HydrophobicContact CD1-CG2 3.93Å; Y4-I33 HydrophobicContact CD2-CG2 3.49Å; Y4-I33 VanDerWaalsContact CD2-CG2 3.49Å; Y4-I33 HydrophobicContact CE1-CG2 4.18Å; Y4-I33 HydrophobicContact CE2-CG2 3.76Å; Y4-I33 HydrophobicContact CG-CG2 3.55Å; A29-I33 WeakPolarHBondContact O-CG1 3.19Å; A29-I33 PolarHBondContact O-N 3.09Å; K30-I33 WeakPolarHBondContact O-CB 3.49Å; K30-I33 PolarHBondContact O-N 2.79Å; K31-I33 VanDerWaalsContact C-N 3.29Å; K31-I33 PolarHBondContact O-N 3.35Å; I33-Q35 PolarHBondContact O-N 3.08Å; I33-R36 PolarHBondContact O-N 3.19Å; I33-D37 VanDerWaalsContact O-CB 3.29Å; I33-D37 WeakPolarHBondContact O-CB 3.33Å; I33-D37 PolarHBondContact O-N 3.11Å; I33-L301 HydrophobicContact CD1-CD1 4.34Å; I33-L301 HydrophobicContact CG2-CD1 4.06Å
34I89Confident88.6Confident11 Ų1151.5 Ų51.56%0.05627%0.274CS..Hα-helixtrans-63.1-43.9-179-69.3160.6000111.5K30 K31 D37 S38 V163 A298 L302 L310K30-I34 WeakPolarHBondContact O-CG1 3.49Å; K30-I34 PolarHBondContact O-N 3.4Å; K31-I34 PolarHBondContact O-N 3.37Å; I34-D37 PolarHBondContact O-N 3.45Å; I34-S38 VanDerWaalsContact O-CB 3.31Å; I34-S38 WeakPolarHBondContact O-CB 3.4Å; I34-S38 PolarHBondContact O-N 3.4Å; I34-S38 PolarHBondContact O-OG 3.3Å; I34-V163 HydrophobicContact CG2-CG1 4.04Å; I34-A298 HydrophobicContact CG1-CB 3.76Å; I34-L302 HydrophobicContact CD1-CD1 3.6Å; I34-L302 HydrophobicContact CD1-CD2 3.7Å; I34-L302 HydrophobicContact CD1-CG 3.84Å; I34-L310 HydrophobicContact CD1-CD1 3.47Å; I34-L310 VanDerWaalsContact CD1-CD1 3.47Å
35Q88.3Confident88.4Confident62 Ų6249.2 Ų49.229%0.2926%0.259SS..Hα-helixtrans-62.2-47.2179.2-177.1179.8-11.100110.6K31 I32 I33 S38 E39K31-Q35 WeakPolarHBondContact O-CB 3.37Å; K31-Q35 PolarHBondContact O-N 3.2Å; I32-Q35 PolarHBondContact O-N 2.94Å; I33-Q35 PolarHBondContact O-N 3.08Å; Q35-S38 PolarHBondContact O-N 3.27Å; Q35-E39 PolarHBondContact NE2-OE1 3.41Å; Q35-E39 WeakPolarHBondContact O-CB 3.35Å; Q35-E39 WeakPolarHBondContact O-CG 3.13Å; Q35-E39 PolarHBondContact O-N 3.12Å
36R88.4Confident88.2Confident139 Ų13948.7 Ų48.753%0.52526%0.258SS..Hα-helixtrans-67.2-39179.1-69.4-68.6-171.11611.9112.6M1 I32 I33 S38 Q40M1-R36 HydrophobicContact CE-CB 3.51Å; M1-R36 HydrophobicContact CG-CB 4.22Å; M1-R36 HydrophobicContact CG-CG 4.24Å; M1-R36 HydrophobicContact SD-CB 3.46Å; M1-R36 WeakPolarHBondContact SD-CB 3.37Å; M1-R36 HydrophobicContact SD-CG 3.95Å; I32-R36 HydrophobicContact CG2-CG 4.22Å; I32-R36 WeakPolarHBondContact O-CB 3.22Å; I32-R36 WeakPolarHBondContact O-CG 3.3Å; I32-R36 PolarHBondContact O-N 2.94Å; I33-R36 PolarHBondContact O-N 3.19Å; R36-S38 VanDerWaalsContact C-N 3.33Å; R36-Q40 WeakPolarHBondContact O-CB 3.44Å; R36-Q40 PolarHBondContact O-N 3.34Å
37D89.4Confident88.1Confident11 Ų1153.8 Ų53.86%0.05927%0.266CS..Hα-helixtrans-60.8-43.9173.1-177.279.8000110.9Y4 Q8 I33 I34 Q40 Q41 S296Y4-D37 HydrophobicContact CE1-CB 3.89Å; Y4-D37 VanDerWaalsContact CE1-OD1 3.23Å; Y4-D37 WeakPolarHBondContact CE1-OD1 3.41Å; Y4-D37 PolarHBondContact OH-OD1 3.22Å; Q8-D37 PolarHBondContact NE2-OD1 3.03Å; I33-D37 VanDerWaalsContact O-CB 3.29Å; I33-D37 WeakPolarHBondContact O-CB 3.33Å; I33-D37 PolarHBondContact O-N 3.11Å; I34-D37 PolarHBondContact O-N 3.45Å; D37-Q40 PolarHBondContact O-N 3.3Å; D37-Q41 WeakPolarHBondContact O-CB 3.34Å; D37-Q41 WeakPolarHBondContact O-CG 3.48Å; D37-Q41 PolarHBondContact O-N 3.19Å; D37-Q41 PolarHBondContact OD2-NE2 3.02Å; D37-S296 VanDerWaalsContact OD2-CB 3.26Å; D37-S296 WeakPolarHBondContact OD2-CB 3.29Å; D37-S296 PolarHBondContact OD2-OG 3.42Å
38S89Confident88.1Confident6 Ų658 Ų584%0.04228%0.284CS..Hα-helixtrans-64-48.7177.2-57.40000111.8I34 Q35 R36 Q40 Q41 M42 Y164I34-S38 VanDerWaalsContact O-CB 3.31Å; I34-S38 WeakPolarHBondContact O-CB 3.4Å; I34-S38 PolarHBondContact O-N 3.4Å; I34-S38 PolarHBondContact O-OG 3.3Å; Q35-S38 PolarHBondContact O-N 3.27Å; R36-S38 VanDerWaalsContact C-N 3.33Å; S38-Q40 VanDerWaalsContact C-N 3.32Å; S38-Q40 PolarHBondContact O-N 3.38Å; S38-Q41 PolarHBondContact O-N 3.44Å; S38-M42 WeakPolarHBondContact O-CG 3.01Å; S38-M42 PolarHBondContact O-N 2.83Å; S38-Y164 VanDerWaalsContact CB-CD2 3.45Å; S38-Y164 VanDerWaalsContact CB-CE2 3.44Å; S38-Y164 PolarHBondContact O-OH 3.12Å; S38-Y164 VanDerWaalsContact O-OH 3.12Å; S38-Y164 VanDerWaalsContact OG-CD2 3.25Å; S38-Y164 WeakPolarHBondContact OG-CD2 3.26Å
39E88.9Confident88.1Confident71 Ų7156.4 Ų56.433%0.33227%0.27SS..Hα-helixtrans-57.5-43.8176-75.1171-174.400111.9Q35 M42 I43Q35-E39 PolarHBondContact NE2-OE1 3.41Å; Q35-E39 WeakPolarHBondContact O-CB 3.35Å; Q35-E39 WeakPolarHBondContact O-CG 3.13Å; Q35-E39 PolarHBondContact O-N 3.12Å; E39-M42 PolarHBondContact O-N 3.34Å; E39-I43 VanDerWaalsContact O-CG1 3.3Å; E39-I43 WeakPolarHBondContact O-CG1 3.44Å; E39-I43 PolarHBondContact O-N 3.33Å
40Q88.3Confident87.9Confident86 Ų8657.8 Ų57.840%0.40227%0.272SS..Hα-helixtrans-65.1-42.1178-173.762.352.800111.7R36 D37 S38 I43 N44R36-Q40 WeakPolarHBondContact O-CB 3.44Å; R36-Q40 PolarHBondContact O-N 3.34Å; D37-Q40 PolarHBondContact O-N 3.3Å; S38-Q40 VanDerWaalsContact C-N 3.32Å; S38-Q40 PolarHBondContact O-N 3.38Å; Q40-I43 PolarHBondContact O-N 3.02Å; Q40-N44 PolarHBondContact NE2-OD1 3.49Å; Q40-N44 WeakPolarHBondContact O-CB 2.99Å; Q40-N44 PolarHBondContact O-N 2.84Å; Q40-N44 PolarHBondContact O-ND2 3.43Å
41Q88.1Confident87.8Confident37 Ų3761.2 Ų61.217%0.17329%0.293CS..Hα-helixtrans-62.4-43.4175.1-74.7-176.926.300111.5D37 S38 I43 N44 I45 Y164D37-Q41 WeakPolarHBondContact O-CB 3.34Å; D37-Q41 WeakPolarHBondContact O-CG 3.48Å; D37-Q41 PolarHBondContact O-N 3.19Å; D37-Q41 PolarHBondContact OD2-NE2 3.02Å; S38-Q41 PolarHBondContact O-N 3.44Å; Q41-I43 VanDerWaalsContact C-N 3.35Å; Q41-I43 PolarHBondContact O-N 3.22Å; Q41-N44 PolarHBondContact O-N 3.04Å; Q41-I45 WeakPolarHBondContact O-CB 3.48Å; Q41-I45 WeakPolarHBondContact O-CG1 3.2Å; Q41-I45 PolarHBondContact O-N 3.48Å; Q41-Y164 HydrophobicContact CB-CE2 4.48Å; Q41-Y164 WeakPolarHBondContact CB-OH 3.41Å
42M88.4Confident87.6Confident22 Ų2263.1 Ų63.111%0.10830%0.304CS..Hα-helixtrans-57.4-47.7175.6-71.4-179-16900111.5S38 E39 I45 A46 K92 K94 Y164S38-M42 WeakPolarHBondContact O-CG 3.01Å; S38-M42 PolarHBondContact O-N 2.83Å; E39-M42 PolarHBondContact O-N 3.34Å; M42-I45 PolarHBondContact O-N 2.86Å; M42-A46 WeakPolarHBondContact O-CB 3.33Å; M42-A46 PolarHBondContact O-N 3.31Å; M42-K92 WeakPolarHBondContact CA-O 3.35Å; M42-K92 WeakPolarHBondContact CG-O 3.37Å; M42-K94 HydrophobicContact SD-CB 4.08Å; M42-Y164 HydrophobicContact CE-CD1 3.22Å; M42-Y164 HydrophobicContact CE-CE1 3.19Å; M42-Y164 HydrophobicContact CE-CG 4.13Å; M42-Y164 WeakPolarHBondContact CE-O 3.23Å; M42-Y164 HydrophobicContact CG-CD1 4.43Å; M42-Y164 HydrophobicContact CG-CE1 3.42Å; M42-Y164 VanDerWaalsContact CG-CE1 3.42Å; M42-Y164 WeakPolarHBondContact CG-OH 3.31Å; M42-Y164 PolarHBondContact N-OH 2.7Å; M42-Y164 HydrophobicContact SD-CE1 4.14Å
43I87.4Confident87.3Confident102 Ų10261.2 Ų61.252%0.52329%0.293SS..Hα-helixtrans-62.1-45.5179.2-68.8165.9000110.6E39 Q40 Q41 A46 R47E39-I43 VanDerWaalsContact O-CG1 3.3Å; E39-I43 WeakPolarHBondContact O-CG1 3.44Å; E39-I43 PolarHBondContact O-N 3.33Å; Q40-I43 PolarHBondContact O-N 3.02Å; Q41-I43 VanDerWaalsContact C-N 3.35Å; Q41-I43 PolarHBondContact O-N 3.22Å; I43-A46 PolarHBondContact O-N 2.88Å; I43-R47 VanDerWaalsContact O-CB 3.29Å; I43-R47 WeakPolarHBondContact O-CB 3.42Å; I43-R47 PolarHBondContact O-N 3.47Å
44N88.2Confident87Confident79 Ų7964.5 Ų64.542%0.42231%0.313SS..Hα-helixtrans-62.6-45.7-178.9-72.3-13.2000111.7Q40 Q41 R47 Q48Q40-N44 PolarHBondContact NE2-OD1 3.49Å; Q40-N44 WeakPolarHBondContact O-CB 2.99Å; Q40-N44 PolarHBondContact O-N 2.84Å; Q40-N44 PolarHBondContact O-ND2 3.43Å; Q41-N44 PolarHBondContact O-N 3.04Å; N44-R47 PolarHBondContact O-N 3Å; N44-Q48 WeakPolarHBondContact O-CB 3.3Å; N44-Q48 PolarHBondContact O-N 3.43Å
45I87.1Confident86.9Confident39 Ų3968.2 Ų68.220%0.234%0.34CS..Hα-helixtrans-69.8-39.1-179.4-69171.9000111.4Q41 M42 Q48 S49 K92 K93Q41-I45 WeakPolarHBondContact O-CB 3.48Å; Q41-I45 WeakPolarHBondContact O-CG1 3.2Å; Q41-I45 PolarHBondContact O-N 3.48Å; M42-I45 PolarHBondContact O-N 2.86Å; I45-Q48 PolarHBondContact O-N 3.35Å; I45-S49 WeakPolarHBondContact O-CB 3.48Å; I45-S49 PolarHBondContact O-N 3.04Å; I45-S49 PolarHBondContact O-OG 3.11Å; I45-K92 HydrophobicContact CD1-CB 3.29Å; I45-K92 HydrophobicContact CD1-CD 3.81Å; I45-K92 HydrophobicContact CD1-CG 4.18Å; I45-K93 HydrophobicContact CG2-CG 3.85Å
46A85.4Confident86.8Confident14 Ų1473.9 Ų73.912%0.11636%0.359CS..Hα-helixtrans-63.3-43.9174.500000111.3M42 I43 S49 L50 L65M42-A46 WeakPolarHBondContact O-CB 3.33Å; M42-A46 PolarHBondContact O-N 3.31Å; I43-A46 PolarHBondContact O-N 2.88Å; A46-S49 PolarHBondContact O-N 3.33Å; A46-L50 PolarHBondContact O-N 3.33Å; A46-L65 HydrophobicContact CB-CB 4.38Å; A46-L65 HydrophobicContact CB-CD2 3.92Å
47R86.1Confident86.4Confident178 Ų17878.6 Ų78.667%0.67238%0.377SS*.Hα-helixtrans-62.4-46.2175.5-176179.7179.7179.50.2111.7I43 N44 S49 L50 V51I43-R47 VanDerWaalsContact O-CB 3.29Å; I43-R47 WeakPolarHBondContact O-CB 3.42Å; I43-R47 PolarHBondContact O-N 3.47Å; N44-R47 PolarHBondContact O-N 3Å; R47-S49 PolarHBondContact O-N 2.95Å; R47-L50 WeakPolarHBondContact O-CB 3.34Å; R47-L50 PolarHBondContact O-N 3.39Å; R47-V51 WeakPolarHBondContact O-CG2 3.32Å; R47-V51 PolarHBondContact O-N 2.95Å
48Q87.1Confident86Confident123 Ų12383 Ų8358%0.57540%0.397SS*.Hα-helixtrans-60.3-46177.8-173.2172.45.500111.2N44 I45 L50 V51 D52N44-Q48 WeakPolarHBondContact O-CB 3.3Å; N44-Q48 PolarHBondContact O-N 3.43Å; I45-Q48 PolarHBondContact O-N 3.35Å; Q48-L50 VanDerWaalsContact C-N 3.28Å; Q48-L50 PolarHBondContact O-N 3.29Å; Q48-V51 PolarHBondContact O-N 3.3Å; Q48-D52 VanDerWaalsContact O-CG 3.29Å; Q48-D52 PolarHBondContact O-N 3.04Å
49S86.4Confident85.2Confident19 Ų1993.9 Ų93.913%0.13344%0.437CS..Hα-helixtrans-58.9-38.6176.4-60.50000112.7I45 A46 R47 K53 I64 K93I45-S49 WeakPolarHBondContact O-CB 3.48Å; I45-S49 PolarHBondContact O-N 3.04Å; I45-S49 PolarHBondContact O-OG 3.11Å; A46-S49 PolarHBondContact O-N 3.33Å; R47-S49 PolarHBondContact O-N 2.95Å; S49-K53 PolarHBondContact O-N 3.01Å; S49-I64 WeakPolarHBondContact O-CD1 3.47Å; S49-K93 WeakPolarHBondContact OG-CE 3.34Å; S49-K93 PolarHBondContact OG-NZ 3.07Å
50L85.1Confident84.3Confident64 Ų6494 Ų9434%0.33544%0.444SS..Hα-helixtrans-66.5-48.1176.5-170.978.5000111.2A46 R47 Q48 D52 K53 V54 P60A46-L50 PolarHBondContact O-N 3.33Å; R47-L50 WeakPolarHBondContact O-CB 3.34Å; R47-L50 PolarHBondContact O-N 3.39Å; Q48-L50 VanDerWaalsContact C-N 3.28Å; Q48-L50 PolarHBondContact O-N 3.29Å; L50-D52 VanDerWaalsContact C-N 3.31Å; L50-D52 PolarHBondContact O-N 3.32Å; L50-K53 PolarHBondContact O-N 3.49Å; L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.15Å; L50-P60 HydrophobicContact CD1-CB 3.73Å
51V86.2Confident83.8Confident74 Ų7493.8 Ų93.845%0.44845%0.446SS..Hα-helixtrans-59.7-42.2178.6171.50000111R47 Q48 K53 V54 S55R47-V51 WeakPolarHBondContact O-CG2 3.32Å; R47-V51 PolarHBondContact O-N 2.95Å; Q48-V51 PolarHBondContact O-N 3.3Å; V51-K53 PolarHBondContact O-N 3.22Å; V51-V54 PolarHBondContact O-N 2.87Å; V51-S55 WeakPolarHBondContact O-CB 3.35Å; V51-S55 PolarHBondContact O-N 3.31Å; V51-S55 PolarHBondContact O-OG 3.01Å
52D84.6Confident83.4Confident73 Ų7398.2 Ų98.239%0.3947%0.468SS..Hα-helixtrans-62.6-41178.6-71.7-19.6000112.1Q48 L50 R56Q48-D52 VanDerWaalsContact O-CG 3.29Å; Q48-D52 PolarHBondContact O-N 3.04Å; L50-D52 VanDerWaalsContact C-N 3.31Å; L50-D52 PolarHBondContact O-N 3.32Å; D52-R56 VanDerWaalsContact O-CG 3.26Å; D52-R56 WeakPolarHBondContact O-CG 3.5Å; D52-R56 PolarHBondContact O-N 3.4Å; D52-R56 VanDerWaalsContact O-N 3.1Å
53K82.4Confident83Confident57 Ų57100.6 Ų100.625%0.24848%0.481CS..Hα-helixtrans-70.5-41.5177.1-83.9-153.8-174.5165.40113.4S49 L50 V51 S55 R56 R57 Q58 I64S49-K53 PolarHBondContact O-N 3.01Å; L50-K53 PolarHBondContact O-N 3.49Å; V51-K53 PolarHBondContact O-N 3.22Å; K53-S55 VanDerWaalsContact C-N 3.3Å; K53-S55 PolarHBondContact O-N 3.41Å; K53-R56 CarbonylContact O-C 3.5Å; K53-R56 PolarHBondContact O-N 2.73Å; K53-R56 VanDerWaalsContact O-N 3.16Å; K53-R57 PolarHBondContact O-N 3.29Å; K53-Q58 PolarHBondContact O-N 3.3Å; K53-I64 HydrophobicContact CB-CD1 4.47Å; K53-I64 HydrophobicContact CD-CD1 3.48Å; K53-I64 VanDerWaalsContact CD-CD1 3.48Å; K53-I64 HydrophobicContact CD-CG1 4.49Å; K53-I64 HydrophobicContact CG-CD1 3.63Å
54V84.2Confident82.8Confident87 Ų8796.9 Ų96.953%0.52746%0.462SS..Hα-helixtrans-61.8-43.1176172.80000110L50 V51 R56 R57L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.15Å; V51-V54 PolarHBondContact O-N 2.87Å; V54-R56 PolarHBondContact O-N 3.12Å; V54-R57 WeakPolarHBondContact O-CA 3.31Å; V54-R57 PolarHBondContact O-N 3.39Å
55S84.9Confident82.5Confident89 Ų8995.1 Ų95.162%0.62245%0.452SS*.Hα-helixtrans-60.8-34.4175.7-57.70000112.2V51 K53 R57V51-S55 WeakPolarHBondContact O-CB 3.35Å; V51-S55 PolarHBondContact O-N 3.31Å; V51-S55 PolarHBondContact O-OG 3.01Å; K53-S55 VanDerWaalsContact C-N 3.3Å; K53-S55 PolarHBondContact O-N 3.41Å; S55-R57 PolarHBondContact O-N 3.15Å
56R87Confident82.6Confident181 Ų18196.1 Ų96.168%0.68346%0.456SS*.THydrogen-bonded Turntrans-81.67.5173.7-66.8174.2-171.8-165.23.4114.2D52 K53 V54 Q58D52-R56 VanDerWaalsContact O-CG 3.26Å; D52-R56 WeakPolarHBondContact O-CG 3.5Å; D52-R56 PolarHBondContact O-N 3.4Å; D52-R56 VanDerWaalsContact O-N 3.1Å; K53-R56 CarbonylContact O-C 3.5Å; K53-R56 PolarHBondContact O-N 2.73Å; K53-R56 VanDerWaalsContact O-N 3.16Å; V54-R56 PolarHBondContact O-N 3.12Å; R56-Q58 HydrophobicContact CB-CG 4.26Å; R56-Q58 PolarHBondContact O-N 2.86Å; R56-Q58 VanDerWaalsContact O-N 3.14Å
57R81.1Confident82.9Confident238 Ų23895.5 Ų95.590%0.89845%0.45SS*.THydrogen-bonded Turntrans54.427-177.5-58.1-177.8178.6176.7-0.5114.3K53 V54 S55K53-R57 PolarHBondContact O-N 3.29Å; V54-R57 WeakPolarHBondContact O-CA 3.31Å; V54-R57 PolarHBondContact O-N 3.39Å; S55-R57 PolarHBondContact O-N 3.15Å
58Q79.3Confident83.1Confident103 Ų10388.1 Ų88.148%0.48142%0.424SS..PPolyproline II helixtrans-88.5142.6175.1-66-178.1-4.100109.8K53 R56 P60K53-Q58 PolarHBondContact O-N 3.3Å; R56-Q58 HydrophobicContact CB-CG 4.26Å; R56-Q58 PolarHBondContact O-N 2.86Å; R56-Q58 VanDerWaalsContact O-N 3.14Å; Q58-P60 WeakPolarHBondContact O-CD 3.19Å
59R73.6Confident83.4Confident235 Ų23582.3 Ų82.389%0.88740%0.397SS*.PPolyproline II helixtrans-62.8123.7173.4-73.3-174.8-178.6174.51109.2D61R59-D61 PolarHBondContact O-N 3.02Å
60P68.5Low83.8Confident75 Ų7587.5 Ų87.549%0.48742%0.417SS..PPolyproline II helixtrans-70.6124.2177.926.8-30.9000109.7L50 Q58L50-P60 HydrophobicContact CD1-CB 3.73Å; Q58-P60 WeakPolarHBondContact O-CD 3.19Å
61D78.5Confident84.3Confident81 Ų8184.4 Ų84.443%0.43340%0.401SS..PPolyproline II helixtrans-95.4130.8165.6177.21.3000107.7R59 N63 I64R59-D61 PolarHBondContact O-N 3.02Å; D61-N63 PolarHBondContact O-N 2.88Å; D61-N63 VanDerWaalsContact O-N 3.11Å; D61-N63 PolarHBondContact OD1-N 3.11Å; D61-N63 PolarHBondContact OD1-ND2 3.29Å; D61-N63 VanDerWaalsContact OD1-ND2 3.1Å; D61-N63 WeakPolarHBondContact OD2-CB 3.2Å; D61-N63 PolarHBondContact OD2-ND2 2.79Å; D61-I64 WeakPolarHBondContact O-CB 3.17Å; D61-I64 WeakPolarHBondContact O-CG2 3.41Å; D61-I64 PolarHBondContact O-N 2.92Å
62M78.9Confident84.6Confident130 Ų13086 Ų8664%0.6440%0.399SS*.G310 helixtrans-57.6-23.9178-67.1-60.8-77.600112.6I64 L65 F66M62-I64 PolarHBondContact O-N 3.2Å; M62-I64 VanDerWaalsContact O-N 3.13Å; M62-L65 HydrophobicContact CE-CD1 3.72Å; M62-L65 WeakPolarHBondContact O-CB 3.32Å; M62-L65 WeakPolarHBondContact O-CG 3.49Å; M62-L65 PolarHBondContact O-N 2.93Å; M62-L65 HydrophobicContact SD-CD1 4.09Å; M62-F66 WeakPolarHBondContact O-CD2 3.38Å
63N80.4Confident85Confident72 Ų7287.4 Ų87.439%0.38540%0.399SS..G310 helixtrans-59.1-23.1174.1-66.8-43.5000113D61 L65 F66 N68D61-N63 PolarHBondContact O-N 2.88Å; D61-N63 VanDerWaalsContact O-N 3.11Å; D61-N63 PolarHBondContact OD1-N 3.11Å; D61-N63 PolarHBondContact OD1-ND2 3.29Å; D61-N63 VanDerWaalsContact OD1-ND2 3.1Å; D61-N63 WeakPolarHBondContact OD2-CB 3.2Å; D61-N63 PolarHBondContact OD2-ND2 2.79Å; N63-L65 PolarHBondContact O-N 3.22Å; N63-F66 PolarHBondContact O-N 3.11Å; N63-N68 PolarHBondContact O-ND2 2.84Å
64I82.9Confident85.4Confident24 Ų2490.2 Ų90.212%0.12342%0.421CS..G310 helixtrans-64.2-21179.4-154.7-167.3000113.6S49 K53 D61 M62 F66 K93S49-I64 WeakPolarHBondContact O-CD1 3.47Å; K53-I64 HydrophobicContact CB-CD1 4.47Å; K53-I64 HydrophobicContact CD-CD1 3.48Å; K53-I64 VanDerWaalsContact CD-CD1 3.48Å; K53-I64 HydrophobicContact CD-CG1 4.49Å; K53-I64 HydrophobicContact CG-CD1 3.63Å; D61-I64 WeakPolarHBondContact O-CB 3.17Å; D61-I64 WeakPolarHBondContact O-CG2 3.41Å; D61-I64 PolarHBondContact O-N 2.92Å; M62-I64 PolarHBondContact O-N 3.2Å; M62-I64 VanDerWaalsContact O-N 3.13Å; I64-F66 PolarHBondContact O-N 3.49Å; I64-K93 WeakPolarHBondContact O-CD 3.38Å; I64-K93 WeakPolarHBondContact O-CE 3.43Å; I64-K93 PolarHBondContact O-NZ 2.8Å
65L83.8Confident85.8Confident41 Ų4190.2 Ų90.222%0.21542%0.415CS..G310 helixtrans-77.1-10.9-178.4-54.5175.5000112.3A46 M62 N63A46-L65 HydrophobicContact CB-CB 4.38Å; A46-L65 HydrophobicContact CB-CD2 3.92Å; M62-L65 HydrophobicContact CE-CD1 3.72Å; M62-L65 WeakPolarHBondContact O-CB 3.32Å; M62-L65 WeakPolarHBondContact O-CG 3.49Å; M62-L65 PolarHBondContact O-N 2.93Å; M62-L65 HydrophobicContact SD-CD1 4.09Å; N63-L65 PolarHBondContact O-N 3.22Å
66F88Confident86.2Confident61 Ų6186.1 Ų86.127%0.26839%0.386SS..EExtended strand (participates in β ladder)trans-121.6148.5-172.8-57-88.6000111.6M62 N63 I64 N68 K94 K96M62-F66 WeakPolarHBondContact O-CD2 3.38Å; N63-F66 PolarHBondContact O-N 3.11Å; I64-F66 PolarHBondContact O-N 3.49Å; F66-N68 PolarHBondContact O-N 3.48Å; F66-N68 PolarHBondContact O-ND2 3.19Å; F66-K94 CarbonylContact C-O 3.57Å; F66-K94 WeakPolarHBondContact CA-O 3.42Å; F66-K94 WeakPolarHBondContact CB-O 3.35Å; F66-K94 HydrophobicContact CD1-CB 3.88Å; F66-K94 HydrophobicContact CD1-CD 4.35Å; F66-K94 HydrophobicContact CD1-CG 4.02Å; F66-K94 HydrophobicContact CE1-CB 4.28Å; F66-K94 HydrophobicContact CE1-CD 3.99Å; F66-K94 HydrophobicContact CE1-CG 4.17Å; F66-K96 HydrophobicContact CB-CB 4.28Å; F66-K96 HydrophobicContact CD1-CB 4.47Å
67L91.3Very high86.5Confident0 Ų077.9 Ų77.90%036%0.356CS..EExtended strand (participates in β ladder)trans-79.291.7159.9177.363.6000107.4M69 L84 K87 D90 L91 K93 K94 L95 K96 L161L67-M69 HydrophobicContact CD1-SD 4.49Å; L67-M69 HydrophobicContact CG-SD 4.4Å; L67-M69 PolarHBondContact O-N 3.32Å; L67-L84 HydrophobicContact CD2-CD2 4.22Å; L67-K87 HydrophobicContact CD1-CB 3.75Å; L67-K87 HydrophobicContact CD1-CD 4.02Å; L67-K87 HydrophobicContact CD1-CG 4.5Å; L67-D90 HydrophobicContact CD1-CB 4.03Å; L67-L91 HydrophobicContact CD2-CD2 4.29Å; L67-K93 HydrophobicContact CB-CB 4.2Å; L67-K94 PolarHBondContact N-O 3.22Å; L67-L95 HydrophobicContact CD2-CD1 4.01Å; L67-L95 HydrophobicContact CG-CD1 4.18Å; L67-K96 PolarHBondContact O-N 2.99Å; L67-L161 HydrophobicContact CD2-CD1 4.49Å; L67-L161 HydrophobicContact CD2-CD2 4.05Å
68N91.4Very high87.1Confident24 Ų2469.1 Ų69.113%0.12833%0.331CS..EExtended strand (participates in β ladder)trans-82.5115.1-179.8-62.2-77.9000110N63 F66 K87 K96N63-N68 PolarHBondContact O-ND2 2.84Å; F66-N68 PolarHBondContact O-N 3.48Å; F66-N68 PolarHBondContact O-ND2 3.19Å; N68-K87 PolarHBondContact O-NZ 2.89Å; N68-K96 CarbonylContact C-O 3.59Å; N68-K96 WeakPolarHBondContact CA-O 3.41Å
69M93.7Very high87.9Confident0 Ų065 Ų650%031%0.312CS..EExtended strand (participates in β ladder)trans-97.7115.3175-66.9-60-64.100109.4L67 V71 E83 L84 L95 K96 V97 T98 W114L67-M69 HydrophobicContact CD1-SD 4.49Å; L67-M69 HydrophobicContact CG-SD 4.4Å; L67-M69 PolarHBondContact O-N 3.32Å; M69-V71 HydrophobicContact CE-CG1 4.44Å; M69-E83 HydrophobicContact CE-CB 3.51Å; M69-E83 HydrophobicContact CE-CG 4.39Å; M69-E83 HydrophobicContact SD-CB 3.88Å; M69-L84 HydrophobicContact CE-CD1 4.33Å; M69-L84 HydrophobicContact CE-CD2 4.09Å; M69-L84 HydrophobicContact CE-CG 3.75Å; M69-L84 HydrophobicContact SD-CD2 3.76Å; M69-L84 HydrophobicContact SD-CG 4.05Å; M69-L95 HydrophobicContact CB-CD1 4.47Å; M69-L95 HydrophobicContact CG-CD1 3.51Å; M69-K96 PolarHBondContact N-O 3.34Å; M69-V97 HydrophobicContact CB-CG1 4.48Å; M69-V97 HydrophobicContact CB-CG2 4.09Å; M69-V97 CarbonylContact O-C 3.39Å; M69-T98 PolarHBondContact O-N 3.43Å; M69-W114 HydrophobicContact CE-CH2 4.44Å; M69-W114 HydrophobicContact CE-CZ2 3.8Å
70K93.4Very high88.9Confident128 Ų12853.8 Ų53.856%0.55727%0.27SS*.EExtended strand (participates in β ladder)trans-108.9110.9175.9-68.1-175.8179.7-176.90109.2T98K70-T98 WeakPolarHBondContact CA-O 3.45Å
71V95.5Very high90.1Very high0 Ų051.4 Ų51.40%025%0.253CS..EExtended strand (participates in β ladder)trans-134.4147.9-170.2-63.20000111.6M69 L76 D79 V97 T98 F99 V100M69-V71 HydrophobicContact CE-CG1 4.44Å; V71-L76 HydrophobicContact CB-CD1 4.44Å; V71-L76 HydrophobicContact CG2-CD1 4.11Å; V71-D79 HydrophobicContact CB-CB 4.1Å; V71-D79 HydrophobicContact CG1-CB 3.96Å; V71-V97 HydrophobicContact CG2-CG1 4.21Å; V71-T98 PolarHBondContact N-O 2.81Å; V71-T98 VanDerWaalsContact N-O 3.11Å; V71-F99 HydrophobicContact CG2-CD1 3.81Å; V71-F99 HydrophobicContact CG2-CE1 3.76Å; V71-F99 WeakPolarHBondContact O-CA 3.35Å; V71-V100 PolarHBondContact O-N 3.08Å
72R94.4Very high90.8Very high107 Ų10751.6 Ų51.640%0.40425%0.254SS..  trans-96.9138.5171.5-64166.5-67.3172.62.3109.4T74 H75 L76 D79 V100R72-T74 PolarHBondContact O-N 2.82Å; R72-H75 HydrophobicContact CB-CB 4.42Å; R72-H75 CarbonylContact O-C 3.45Å; R72-H75 PolarHBondContact O-N 2.94Å; R72-H75 VanDerWaalsContact O-N 3.07Å; R72-L76 PolarHBondContact O-N 2.9Å; R72-D79 WeakPolarHBondContact CB-OD2 3.42Å; R72-D79 WeakPolarHBondContact CG-OD2 3.37Å; R72-D79 IonicContact CZ-OD1 3.38Å; R72-D79 IonicContact CZ-OD2 3.85Å; R72-D79 PolarHBondContact N-OD2 3.36Å; R72-D79 IonicContact NE-OD1 3.19Å; R72-D79 IonicContact NE-OD2 3.56Å; R72-D79 PolarHBondContact NE-OD2 2.97Å; R72-D79 IonicContact NH2-OD1 3.92Å; R72-D79 PolarHBondContact NH2-OD1 2.75Å; R72-D79 IonicContact NH2-OD2 2.87Å; R72-V100 HydrophobicContact CG-CB 3.88Å; R72-V100 HydrophobicContact CG-CG1 4.42Å; R72-V100 HydrophobicContact CG-CG2 4.04Å
73R91.2Very high91.6Very high102 Ų10246.2 Ų46.239%0.38523%0.227SC..G310 helixtrans-56.4-36.9177.4-68.5-172.5179.8-92.7-4.9113H75 F99 E102 E113R73-H75 VanDerWaalsContact C-N 3.3Å; R73-H75 PolarHBondContact O-N 2.85Å; R73-F99 HydrophobicContact CG-CD1 3.75Å; R73-F99 HydrophobicContact CG-CE1 4.03Å; R73-F99 HydrophobicContact CG-CG 4.39Å; R73-E102 WeakPolarHBondContact CD-OE1 3.48Å; R73-E102 IonicContact CZ-OE1 3.07Å; R73-E102 IonicContact CZ-OE2 2.78Å; R73-E102 IonicContact NE-OE1 3.23Å; R73-E102 PolarHBondContact NE-OE1 2.62Å; R73-E102 IonicContact NE-OE2 2.68Å; R73-E102 PolarHBondContact NE-OE2 2.86Å; R73-E102 IonicContact NH2-OE1 3.39Å; R73-E102 IonicContact NH2-OE2 2.78Å; R73-E102 PolarHBondContact NH2-OE2 3.47Å; R73-E113 IonicContact CZ-OE1 2.79Å; R73-E113 IonicContact NH1-OE1 3.17Å; R73-E113 PolarHBondContact NH1-OE1 3.02Å; R73-E113 IonicContact NH2-OE1 3.04Å; R73-E113 PolarHBondContact NH2-OE1 3.25Å; R73-E113 IonicContact NH2-OE2 3.56Å; R73-E113 PolarHBondContact NH2-OE2 2.91Å
74T91.6Very high92.2Very high117 Ų11742.8 Ų42.872%0.71821%0.209SC*.G310 helixtrans-73.4-18.5-179.549.60000114.2R72R72-T74 PolarHBondContact O-N 2.82Å
75H93.3Very high92.6Very high86 Ų8644.5 Ų44.540%0.39822%0.22SC..G310 helixtrans-131.641-173.9-6583.5000110.3R72 R73 V77 S78 D79R72-H75 HydrophobicContact CB-CB 4.42Å; R72-H75 CarbonylContact O-C 3.45Å; R72-H75 PolarHBondContact O-N 2.94Å; R72-H75 VanDerWaalsContact O-N 3.07Å; R73-H75 VanDerWaalsContact C-N 3.3Å; R73-H75 PolarHBondContact O-N 2.85Å; H75-V77 PolarHBondContact O-N 2.94Å; H75-S78 PolarHBondContact O-OG 2.76Å; H75-D79 VanDerWaalsContact O-CB 3.24Å; H75-D79 WeakPolarHBondContact O-CB 3.48Å; H75-D79 VanDerWaalsContact O-CG 3.23Å; H75-D79 PolarHBondContact O-N 3.04Å
76L93.1Very high92.9Very high4 Ų450.5 Ų50.52%0.02124%0.24CC..Hα-helixtrans-61.4-49.4-165.3-169.869.7000112.6V71 R72 S80 F99 L117 L118V71-L76 HydrophobicContact CB-CD1 4.44Å; V71-L76 HydrophobicContact CG2-CD1 4.11Å; R72-L76 PolarHBondContact O-N 2.9Å; L76-S80 WeakPolarHBondContact O-CB 3.4Å; L76-S80 PolarHBondContact O-N 2.74Å; L76-S80 VanDerWaalsContact O-N 3.08Å; L76-S80 PolarHBondContact O-OG 2.97Å; L76-F99 HydrophobicContact CD1-CE1 3.95Å; L76-L117 HydrophobicContact CD2-CB 3.36Å; L76-L118 HydrophobicContact CB-CD2 4.42Å; L76-L118 HydrophobicContact CD2-CB 4.39Å; L76-L118 HydrophobicContact CD2-CD2 3.91Å; L76-L118 HydrophobicContact CD2-CG 3.81Å; L76-L118 HydrophobicContact CG-CD2 3.65Å; L76-L118 HydrophobicContact CG-CG 3.85Å
77V92.6Very high93.1Very high8 Ų850 Ų505%0.04824%0.238CC..Hα-helixtrans-67.5-49.1-178.1178.80000111.2H75 S80 L81 L118 Q121 I122 Y127 L154H75-V77 PolarHBondContact O-N 2.94Å; V77-S80 PolarHBondContact O-N 2.95Å; V77-L81 WeakPolarHBondContact O-CB 3.5Å; V77-L81 PolarHBondContact O-N 2.96Å; V77-L118 HydrophobicContact CB-CD2 4.43Å; V77-L118 HydrophobicContact CG2-CD2 3.89Å; V77-Q121 HydrophobicContact CG2-CB 4.46Å; V77-Q121 HydrophobicContact CG2-CG 4.07Å; V77-I122 HydrophobicContact CG2-CG1 4.04Å; V77-Y127 WeakPolarHBondContact CG1-OH 3.27Å; V77-Y127 HydrophobicContact CG2-CE2 4.34Å; V77-L154 HydrophobicContact CG1-CD2 4.01Å
78S93.4Very high92.9Very high53 Ų5356.4 Ų56.437%0.37126%0.262SS..Hα-helixtrans-63.4-47.1-178.759.30000112.2H75 S80 L81 D82H75-S78 PolarHBondContact O-OG 2.76Å; S78-S80 VanDerWaalsContact C-N 3.3Å; S78-S80 PolarHBondContact O-N 3.47Å; S78-L81 PolarHBondContact O-N 2.8Å; S78-D82 WeakPolarHBondContact O-CB 3.25Å; S78-D82 PolarHBondContact O-N 2.79Å
79D95.7Very high92.6Very high16 Ų1659.6 Ų59.69%0.08629%0.292CS..Hα-helixtrans-64-39.7179.6-70.2-1.3000110.4V71 R72 H75 D82 E83V71-D79 HydrophobicContact CB-CB 4.1Å; V71-D79 HydrophobicContact CG1-CB 3.96Å; R72-D79 WeakPolarHBondContact CB-OD2 3.42Å; R72-D79 WeakPolarHBondContact CG-OD2 3.37Å; R72-D79 IonicContact CZ-OD1 3.38Å; R72-D79 IonicContact CZ-OD2 3.85Å; R72-D79 PolarHBondContact N-OD2 3.36Å; R72-D79 IonicContact NE-OD1 3.19Å; R72-D79 IonicContact NE-OD2 3.56Å; R72-D79 PolarHBondContact NE-OD2 2.97Å; R72-D79 IonicContact NH2-OD1 3.92Å; R72-D79 PolarHBondContact NH2-OD1 2.75Å; R72-D79 IonicContact NH2-OD2 2.87Å; H75-D79 VanDerWaalsContact O-CB 3.24Å; H75-D79 WeakPolarHBondContact O-CB 3.48Å; H75-D79 VanDerWaalsContact O-CG 3.23Å; H75-D79 PolarHBondContact O-N 3.04Å; D79-D82 PolarHBondContact O-N 3.41Å; D79-E83 VanDerWaalsContact O-CB 3.28Å; D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 WeakPolarHBondContact O-CG 3.44Å; D79-E83 PolarHBondContact O-N 2.88Å
80S95.3Very high92.4Very high0 Ų061.9 Ų61.90%030%0.304CS..Hα-helixtrans-65.1-43.3177.5-60.30000111.9L76 V77 S78 L84 W114L76-S80 WeakPolarHBondContact O-CB 3.4Å; L76-S80 PolarHBondContact O-N 2.74Å; L76-S80 VanDerWaalsContact O-N 3.08Å; L76-S80 PolarHBondContact O-OG 2.97Å; V77-S80 PolarHBondContact O-N 2.95Å; S78-S80 VanDerWaalsContact C-N 3.3Å; S78-S80 PolarHBondContact O-N 3.47Å; S80-L84 WeakPolarHBondContact O-CB 3.18Å; S80-L84 WeakPolarHBondContact O-CD1 3.45Å; S80-L84 VanDerWaalsContact O-CG 3.28Å; S80-L84 WeakPolarHBondContact O-CG 3.23Å; S80-L84 PolarHBondContact O-N 3.38Å; S80-W114 PolarHBondContact OG-NE1 3.36Å
81L93.7Very high92.2Very high26 Ų2656 Ų5614%0.13628%0.279CS..Hα-helixtrans-61.4-46.4176.7-176.267.7000111.4V77 S78 T85 S150 L154V77-L81 WeakPolarHBondContact O-CB 3.5Å; V77-L81 PolarHBondContact O-N 2.96Å; S78-L81 PolarHBondContact O-N 2.8Å; L81-T85 WeakPolarHBondContact O-CB 3.47Å; L81-T85 PolarHBondContact O-N 3.49Å; L81-T85 PolarHBondContact O-OG1 2.97Å; L81-S150 WeakPolarHBondContact CD1-O 3.44Å; L81-L154 HydrophobicContact CB-CD2 4.23Å; L81-L154 HydrophobicContact CD1-CB 3.83Å; L81-L154 HydrophobicContact CD1-CD2 4.36Å
82D93.8Very high91.9Very high84 Ų8458.2 Ų58.245%0.44929%0.288SS..Hα-helixtrans-66.6-42.7-178.9-75.2-17.6000112.1S78 D79 R86S78-D82 WeakPolarHBondContact O-CB 3.25Å; S78-D82 PolarHBondContact O-N 2.79Å; D79-D82 PolarHBondContact O-N 3.41Å; D82-R86 WeakPolarHBondContact O-CB 3.38Å; D82-R86 WeakPolarHBondContact O-CG 3.45Å; D82-R86 PolarHBondContact O-N 2.88Å; D82-R86 PolarHBondContact O-NE 3Å
83E94.7Very high91.7Very high17 Ų1753.3 Ų53.38%0.07927%0.27CS..Hα-helixtrans-65.9-47.1178.7-73.6-75.6120.300111.1M69 D79 T85 R86 K87M69-E83 HydrophobicContact CE-CB 3.51Å; M69-E83 HydrophobicContact CE-CG 4.39Å; M69-E83 HydrophobicContact SD-CB 3.88Å; D79-E83 VanDerWaalsContact O-CB 3.28Å; D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 WeakPolarHBondContact O-CG 3.44Å; D79-E83 PolarHBondContact O-N 2.88Å; E83-T85 VanDerWaalsContact C-N 3.33Å; E83-T85 PolarHBondContact O-N 3.16Å; E83-R86 PolarHBondContact O-N 3.12Å; E83-R86 IonicContact OE1-CZ 3.12Å; E83-R86 IonicContact OE1-NH1 2.7Å; E83-R86 PolarHBondContact OE1-NH1 2.79Å; E83-R86 VanDerWaalsContact OE1-NH1 3.17Å; E83-R86 IonicContact OE1-NH2 3.41Å; E83-R86 PolarHBondContact OE1-NH2 3.17Å; E83-K87 VanDerWaalsContact O-CB 3.24Å; E83-K87 WeakPolarHBondContact O-CB 3.33Å; E83-K87 WeakPolarHBondContact O-CG 3.39Å; E83-K87 PolarHBondContact O-N 3.05Å; E83-K87 IonicContact OE2-NZ 2.72Å; E83-K87 PolarHBondContact OE2-NZ 2.72Å
84L93.4Very high91.6Very high1 Ų154.3 Ų54.31%0.00528%0.277CS..Hα-helixtrans-68.1-33.4178.7-68.7167.9000112.1L67 M69 S80 K87 R88 L91 W114 L154 I157 L161L67-L84 HydrophobicContact CD2-CD2 4.22Å; M69-L84 HydrophobicContact CE-CD1 4.33Å; M69-L84 HydrophobicContact CE-CD2 4.09Å; M69-L84 HydrophobicContact CE-CG 3.75Å; M69-L84 HydrophobicContact SD-CD2 3.76Å; M69-L84 HydrophobicContact SD-CG 4.05Å; S80-L84 WeakPolarHBondContact O-CB 3.18Å; S80-L84 WeakPolarHBondContact O-CD1 3.45Å; S80-L84 VanDerWaalsContact O-CG 3.28Å; S80-L84 WeakPolarHBondContact O-CG 3.23Å; S80-L84 PolarHBondContact O-N 3.38Å; L84-K87 CarbonylContact O-C 3.44Å; L84-K87 PolarHBondContact O-N 2.85Å; L84-R88 WeakPolarHBondContact O-CG 3.17Å; L84-R88 PolarHBondContact O-N 2.94Å; L84-L91 HydrophobicContact CB-CD2 4.44Å; L84-L91 HydrophobicContact CD2-CD2 3.53Å; L84-W114 HydrophobicContact CD1-CH2 4.45Å; L84-L154 HydrophobicContact CD1-CD1 3.32Å; L84-I157 HydrophobicContact CD1-CG2 3.94Å; L84-I157 HydrophobicContact CD2-CG2 4.12Å; L84-I157 HydrophobicContact CG-CG2 4.47Å; L84-L161 HydrophobicContact CD2-CD1 3.93Å
85T90.7Very high91.5Very high59 Ų5949.3 Ų49.336%0.36225%0.246SC..Hα-helixtrans-68.9-41.7175.3-65.70000111.8L81 E83 K87 R88L81-T85 WeakPolarHBondContact O-CB 3.47Å; L81-T85 PolarHBondContact O-N 3.49Å; L81-T85 PolarHBondContact O-OG1 2.97Å; E83-T85 VanDerWaalsContact C-N 3.33Å; E83-T85 PolarHBondContact O-N 3.16Å; T85-K87 VanDerWaalsContact C-N 3.34Å; T85-R88 WeakPolarHBondContact O-CD 3.38Å; T85-R88 VanDerWaalsContact O-CG 3.31Å; T85-R88 WeakPolarHBondContact O-CG 3.29Å
86R91.5Very high91.4Very high167 Ų16747.9 Ų47.963%0.6324%0.238SC*.Hα-helixtrans-68.6-33.4175.2-78.2177.6-77.8154.7-4.1112.5D82 E83D82-R86 WeakPolarHBondContact O-CB 3.38Å; D82-R86 WeakPolarHBondContact O-CG 3.45Å; D82-R86 PolarHBondContact O-N 2.88Å; D82-R86 PolarHBondContact O-NE 3Å; E83-R86 PolarHBondContact O-N 3.12Å; E83-R86 IonicContact OE1-CZ 3.12Å; E83-R86 IonicContact OE1-NH1 2.7Å; E83-R86 PolarHBondContact OE1-NH1 2.79Å; E83-R86 VanDerWaalsContact OE1-NH1 3.17Å; E83-R86 IonicContact OE1-NH2 3.41Å; E83-R86 PolarHBondContact OE1-NH2 3.17Å
87K91.1Very high91.4Very high50 Ų5047.7 Ų47.722%0.21724%0.237CC..THydrogen-bonded Turntrans-104.130.1-172.9-65.4173.5178163.80113.7L67 N68 E83 L84 T85 A89 D90 L91L67-K87 HydrophobicContact CD1-CB 3.75Å; L67-K87 HydrophobicContact CD1-CD 4.02Å; L67-K87 HydrophobicContact CD1-CG 4.5Å; N68-K87 PolarHBondContact O-NZ 2.89Å; E83-K87 VanDerWaalsContact O-CB 3.24Å; E83-K87 WeakPolarHBondContact O-CB 3.33Å; E83-K87 WeakPolarHBondContact O-CG 3.39Å; E83-K87 PolarHBondContact O-N 3.05Å; E83-K87 IonicContact OE2-NZ 2.72Å; E83-K87 PolarHBondContact OE2-NZ 2.72Å; L84-K87 CarbonylContact O-C 3.44Å; L84-K87 PolarHBondContact O-N 2.85Å; T85-K87 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 3.46Å; K87-A89 VanDerWaalsContact O-N 3.15Å; K87-D90 HydrophobicContact CB-CB 4.25Å; K87-D90 WeakPolarHBondContact O-CA 3.46Å; K87-D90 PolarHBondContact O-N 3.39Å; K87-L91 PolarHBondContact O-N 2.94Å
88R87.4Confident91.4Very high136 Ų13649.3 Ų49.351%0.51325%0.247SC..G310 helixtrans-52.8-37.2-179.3-77173.6-175.3-161.84.6114.2L84 T85 D90 L91L84-R88 WeakPolarHBondContact O-CG 3.17Å; L84-R88 PolarHBondContact O-N 2.94Å; T85-R88 WeakPolarHBondContact O-CD 3.38Å; T85-R88 VanDerWaalsContact O-CG 3.31Å; T85-R88 WeakPolarHBondContact O-CG 3.29Å; R88-D90 VanDerWaalsContact C-N 3.26Å; R88-D90 PolarHBondContact O-N 3.28Å; R88-L91 WeakPolarHBondContact O-CG 3.43Å
89A85.4Confident91.4Very high90 Ų9047 Ų4774%0.74423%0.23SC*.G310 helixtrans-72.8-19.817800000113.5K87K87-A89 PolarHBondContact O-N 3.46Å; K87-A89 VanDerWaalsContact O-N 3.15Å
90D88.8Confident91.2Very high48 Ų4850.5 Ų50.526%0.25725%0.253SS..G310 helixtrans-99.71.1-175.9-68.6-25.1000112.5L67 K87 R88 K92 K93L67-D90 HydrophobicContact CD1-CB 4.03Å; K87-D90 HydrophobicContact CB-CB 4.25Å; K87-D90 WeakPolarHBondContact O-CA 3.46Å; K87-D90 PolarHBondContact O-N 3.39Å; R88-D90 VanDerWaalsContact C-N 3.26Å; R88-D90 PolarHBondContact O-N 3.28Å; D90-K92 PolarHBondContact O-N 2.92Å; D90-K93 HydrophobicContact CB-CD 3.93Å; D90-K93 HydrophobicContact CB-CG 4.44Å; D90-K93 WeakPolarHBondContact O-CB 3.46Å; D90-K93 PolarHBondContact O-N 2.93Å; D90-K93 WeakPolarHBondContact OD1-CE 3.32Å; D90-K93 IonicContact OD1-NZ 3.33Å; D90-K93 PolarHBondContact OD1-NZ 3.44Å; D90-K93 IonicContact OD2-NZ 3.26Å
91L89.8Confident90.8Very high5 Ų554.6 Ų54.63%0.02630%0.295CS..THydrogen-bonded Turntrans-56.3-25.9-176.2-70.7177.7000113.9L67 L84 K87 R88 I157 L161 V293L67-L91 HydrophobicContact CD2-CD2 4.29Å; L84-L91 HydrophobicContact CB-CD2 4.44Å; L84-L91 HydrophobicContact CD2-CD2 3.53Å; K87-L91 PolarHBondContact O-N 2.94Å; R88-L91 WeakPolarHBondContact O-CG 3.43Å; L91-I157 HydrophobicContact CD2-CG2 4.03Å; L91-L161 WeakPolarHBondContact O-CD2 3.33Å; L91-V293 HydrophobicContact CB-CG2 4.34Å; L91-V293 HydrophobicContact CD1-CG2 4.46Å
92K89.9Confident90.5Very high46 Ų4657.2 Ų57.220%0.231%0.306CS..THydrogen-bonded Turntrans-9615.8179.2-65.3-173.6175.3-161.60113.3M42 I45 D90 Y164 V293 A295M42-K92 WeakPolarHBondContact CA-O 3.35Å; M42-K92 WeakPolarHBondContact CG-O 3.37Å; I45-K92 HydrophobicContact CD1-CB 3.29Å; I45-K92 HydrophobicContact CD1-CD 3.81Å; I45-K92 HydrophobicContact CD1-CG 4.18Å; D90-K92 PolarHBondContact O-N 2.92Å; K92-Y164 HydrophobicContact CB-CE1 4.2Å; K92-Y164 PolarHBondContact O-OH 2.8Å; K92-Y164 VanDerWaalsContact O-OH 3.11Å; K92-V293 WeakPolarHBondContact CE-O 3.39Å; K92-A295 PolarHBondContact NZ-O 2.9Å
93K90Very high89.7Confident4 Ų458.7 Ų58.72%0.01733%0.33CS..SBendtrans-90.7164.1169.1-66-179.41791730110.3I45 S49 I64 L67 D90 L95I45-K93 HydrophobicContact CG2-CG 3.85Å; S49-K93 WeakPolarHBondContact OG-CE 3.34Å; S49-K93 PolarHBondContact OG-NZ 3.07Å; I64-K93 WeakPolarHBondContact O-CD 3.38Å; I64-K93 WeakPolarHBondContact O-CE 3.43Å; I64-K93 PolarHBondContact O-NZ 2.8Å; L67-K93 HydrophobicContact CB-CB 4.2Å; D90-K93 HydrophobicContact CB-CD 3.93Å; D90-K93 HydrophobicContact CB-CG 4.44Å; D90-K93 WeakPolarHBondContact O-CB 3.46Å; D90-K93 PolarHBondContact O-N 2.93Å; D90-K93 WeakPolarHBondContact OD1-CE 3.32Å; D90-K93 IonicContact OD1-NZ 3.33Å; D90-K93 PolarHBondContact OD1-NZ 3.44Å; D90-K93 IonicContact OD2-NZ 3.26Å; K93-L95 PolarHBondContact O-N 3.26Å
94K87.8Confident88.7Confident124 Ų12460.1 Ų60.154%0.53935%0.349SS..EExtended strand (participates in β ladder)trans-61.4124.8175.8-176.9164.1-179.7172.70110.1M42 F66 L67M42-K94 HydrophobicContact SD-CB 4.08Å; F66-K94 CarbonylContact C-O 3.57Å; F66-K94 WeakPolarHBondContact CA-O 3.42Å; F66-K94 WeakPolarHBondContact CB-O 3.35Å; F66-K94 HydrophobicContact CD1-CB 3.88Å; F66-K94 HydrophobicContact CD1-CD 4.35Å; F66-K94 HydrophobicContact CD1-CG 4.02Å; F66-K94 HydrophobicContact CE1-CB 4.28Å; F66-K94 HydrophobicContact CE1-CD 3.99Å; F66-K94 HydrophobicContact CE1-CG 4.17Å; L67-K94 PolarHBondContact N-O 3.22Å
95L91.1Very high87.9Confident11 Ų1166 Ų666%0.05838%0.38CS..EExtended strand (participates in β ladder)trans-70.8139-178.318061.5000111L67 M69 K93 V97 T111 W114 F115L67-L95 HydrophobicContact CD2-CD1 4.01Å; L67-L95 HydrophobicContact CG-CD1 4.18Å; M69-L95 HydrophobicContact CB-CD1 4.47Å; M69-L95 HydrophobicContact CG-CD1 3.51Å; K93-L95 PolarHBondContact O-N 3.26Å; L95-V97 HydrophobicContact CD1-CG2 4.3Å; L95-V97 HydrophobicContact CG-CG2 4.35Å; L95-T111 HydrophobicContact CD2-CG2 3.57Å; L95-T111 HydrophobicContact CG-CG2 4.12Å; L95-W114 HydrophobicContact CD2-CE3 4.38Å; L95-W114 HydrophobicContact CD2-CZ3 3.94Å; L95-F115 HydrophobicContact CD2-CE2 3.67Å; L95-F115 HydrophobicContact CD2-CZ 3.98Å
96K90.9Very high87.3Confident56 Ų5664 Ų6424%0.24337%0.367CS..EExtended strand (participates in β ladder)trans-143.1123.8171.9-173-179.8179-178.20109.2F66 L67 N68 M69 D106F66-K96 HydrophobicContact CB-CB 4.28Å; F66-K96 HydrophobicContact CD1-CB 4.47Å; L67-K96 PolarHBondContact O-N 2.99Å; N68-K96 CarbonylContact C-O 3.59Å; N68-K96 WeakPolarHBondContact CA-O 3.41Å; M69-K96 PolarHBondContact N-O 3.34Å; K96-D106 HydrophobicContact CG-CB 4.02Å
97V92.6Very high86.6Confident0 Ų064.1 Ų64.10%038%0.377CS..EExtended strand (participates in β ladder)trans-104.1145.7-179.2-176.50000111.2M69 V71 L95 D106 L110 T111 W114M69-V97 HydrophobicContact CB-CG1 4.48Å; M69-V97 HydrophobicContact CB-CG2 4.09Å; M69-V97 CarbonylContact O-C 3.39Å; V71-V97 HydrophobicContact CG2-CG1 4.21Å; L95-V97 HydrophobicContact CD1-CG2 4.3Å; L95-V97 HydrophobicContact CG-CG2 4.35Å; V97-D106 PolarHBondContact N-OD2 3.22Å; V97-D106 WeakPolarHBondContact O-CB 3.34Å; V97-L110 HydrophobicContact CB-CB 4.47Å; V97-T111 HydrophobicContact CG2-CG2 4.49Å; V97-W114 HydrophobicContact CB-CB 4.4Å; V97-W114 HydrophobicContact CG1-CB 3.84Å; V97-W114 HydrophobicContact CG1-CG 3.96Å; V97-W114 HydrophobicContact CG2-CB 4.06Å; V97-W114 HydrophobicContact CG2-CD2 3.99Å; V97-W114 HydrophobicContact CG2-CE3 4.01Å; V97-W114 HydrophobicContact CG2-CG 4.04Å
98T92.4Very high86.1Confident43 Ų4363.3 Ų63.326%0.26438%0.382SS..EExtended strand (participates in β ladder)trans-140.9122.3173.1-55.60000109.5M69 K70 V71M69-T98 PolarHBondContact O-N 3.43Å; K70-T98 WeakPolarHBondContact CA-O 3.45Å; V71-T98 PolarHBondContact N-O 2.81Å; V71-T98 VanDerWaalsContact N-O 3.11Å
99F93.2Very high85.9Confident3 Ų357.4 Ų57.41%0.01336%0.364CS..EExtended strand (participates in β ladder)trans-79.6127.3170.7-70.9-71.7000110.1V71 R73 L76 G101 E102 L110 E113 W114 L117V71-F99 HydrophobicContact CG2-CD1 3.81Å; V71-F99 HydrophobicContact CG2-CE1 3.76Å; V71-F99 WeakPolarHBondContact O-CA 3.35Å; R73-F99 HydrophobicContact CG-CD1 3.75Å; R73-F99 HydrophobicContact CG-CE1 4.03Å; R73-F99 HydrophobicContact CG-CG 4.39Å; L76-F99 HydrophobicContact CD1-CE1 3.95Å; F99-G101 PolarHBondContact O-N 2.93Å; F99-E102 HydrophobicContact CB-CB 4.1Å; F99-E102 HydrophobicContact CB-CG 4.23Å; F99-E102 PolarHBondContact O-N 2.89Å; F99-L110 HydrophobicContact CD2-CD2 4.35Å; F99-E113 HydrophobicContact CE2-CG 4.45Å; F99-W114 HydrophobicContact CZ-CB 4.25Å; F99-L117 HydrophobicContact CZ-CD1 4.21Å
100V92Very high86Confident91 Ų9154.8 Ų54.855%0.55234%0.337SS*.THydrogen-bonded Turntrans-64.8125.7-177.81780000109.8V71 R72V71-V100 PolarHBondContact O-N 3.08Å; R72-V100 HydrophobicContact CG-CB 3.88Å; R72-V100 HydrophobicContact CG-CG1 4.42Å; R72-V100 HydrophobicContact CG-CG2 4.04Å
101G87.5Confident86.1Confident86 Ų8652.8 Ų52.889%0.88733%0.327SS*.THydrogen-bonded Turntrans89.5-1.5-179.500000114.7F99F99-G101 PolarHBondContact O-N 2.93Å
102E86.3Confident85.9Confident81 Ų8156.7 Ų56.738%0.37934%0.343SS..  trans-107.7133.1179-71.1171.6-141.900111.3R73 F99 G104R73-E102 WeakPolarHBondContact CD-OE1 3.48Å; R73-E102 IonicContact CZ-OE1 3.07Å; R73-E102 IonicContact CZ-OE2 2.78Å; R73-E102 IonicContact NE-OE1 3.23Å; R73-E102 PolarHBondContact NE-OE1 2.62Å; R73-E102 IonicContact NE-OE2 2.68Å; R73-E102 PolarHBondContact NE-OE2 2.86Å; R73-E102 IonicContact NH2-OE1 3.39Å; R73-E102 IonicContact NH2-OE2 2.78Å; R73-E102 PolarHBondContact NH2-OE2 3.47Å; F99-E102 HydrophobicContact CB-CB 4.1Å; F99-E102 HydrophobicContact CB-CG 4.23Å; F99-E102 PolarHBondContact O-N 2.89Å; E102-G104 PolarHBondContact O-N 3.44Å
103A77.4Confident85.8Confident115 Ų11556.4 Ų56.495%0.9534%0.343SS*.  trans-79.7114.917200000109.1
104G73Confident85.9Confident46 Ų4656.2 Ų56.247%0.47434%0.342SS..  trans-169135.8177.100000112.5E102E102-G104 PolarHBondContact O-N 3.44Å
105L77.1Confident86.1Confident125 Ų12550.5 Ų50.565%0.65432%0.317SS*.  trans-97.8116.9168.7-168.7146.1000108M107L105-M107 HydrophobicContact CD2-CG 3.66Å; L105-M107 HydrophobicContact CD2-SD 3.33Å; L105-M107 WeakPolarHBondContact CD2-SD 3.28Å; L105-M107 PolarHBondContact O-N 3.3Å
106D78.7Confident86Confident18 Ų1851.4 Ų51.410%0.09632%0.322CS..  trans-70.6103.6-178.7-17217000111.3K96 V97 G108 L110 T111K96-D106 HydrophobicContact CG-CB 4.02Å; V97-D106 PolarHBondContact N-OD2 3.22Å; V97-D106 WeakPolarHBondContact O-CB 3.34Å; D106-G108 VanDerWaalsContact C-N 3.33Å; D106-G108 WeakPolarHBondContact OD1-CA 3.16Å; D106-G108 PolarHBondContact OD1-N 3.06Å; D106-L110 HydrophobicContact CB-CB 4.14Å; D106-L110 HydrophobicContact CB-CD1 4.13Å; D106-L110 HydrophobicContact CB-CG 4.37Å; D106-L110 PolarHBondContact OD1-N 3.36Å; D106-T111 PolarHBondContact OD1-N 3.23Å; D106-T111 PolarHBondContact OD2-OG1 3.39Å
107M76.4Confident85.9Confident169 Ų16951.3 Ų51.383%0.83332%0.324SS*.SBendtrans-98.419.9169-64.8-60.5-67.200111.7L105L105-M107 HydrophobicContact CD2-CG 3.66Å; L105-M107 HydrophobicContact CD2-SD 3.33Å; L105-M107 WeakPolarHBondContact CD2-SD 3.28Å; L105-M107 PolarHBondContact O-N 3.3Å
108G80.1Confident85.9Confident32 Ų3251.3 Ų51.333%0.3332%0.324SS..SBendtrans110.2-23.1-178.200000113.6D106 K112D106-G108 VanDerWaalsContact C-N 3.33Å; D106-G108 WeakPolarHBondContact OD1-CA 3.16Å; D106-G108 PolarHBondContact OD1-N 3.06Å; G108-K112 WeakPolarHBondContact O-CG 3.24Å; G108-K112 PolarHBondContact O-N 3.04Å
109G82.4Confident85.9Confident12 Ų1249.6 Ų49.612%0.12431%0.313CS..Hα-helixtrans-65.4-45.218000000113.3T111 K112 E113G109-T111 VanDerWaalsContact C-N 3.35Å; G109-K112 PolarHBondContact O-N 2.94Å; G109-E113 WeakPolarHBondContact O-CB 3.37Å; G109-E113 PolarHBondContact O-N 3.34Å
110L89Confident85.7Confident35 Ų3555.4 Ų55.418%0.18334%0.335CS..Hα-helixtrans-69.7-36.5179.2-58.3-177.2000111V97 F99 D106 E113 W114V97-L110 HydrophobicContact CB-CB 4.47Å; F99-L110 HydrophobicContact CD2-CD2 4.35Å; D106-L110 HydrophobicContact CB-CB 4.14Å; D106-L110 HydrophobicContact CB-CD1 4.13Å; D106-L110 HydrophobicContact CB-CG 4.37Å; D106-L110 PolarHBondContact OD1-N 3.36Å; L110-E113 PolarHBondContact O-N 2.77Å; L110-W114 WeakPolarHBondContact O-CB 3.46Å; L110-W114 PolarHBondContact O-N 3.42Å
111T90.3Very high85.7Confident7 Ų755 Ų554%0.04333%0.327CS..Hα-helixtrans-61-47.6172.8-71.40000111.5L95 V97 D106 G109 E113 W114 F115 I167L95-T111 HydrophobicContact CD2-CG2 3.57Å; L95-T111 HydrophobicContact CG-CG2 4.12Å; V97-T111 HydrophobicContact CG2-CG2 4.49Å; D106-T111 PolarHBondContact OD1-N 3.23Å; D106-T111 PolarHBondContact OD2-OG1 3.39Å; G109-T111 VanDerWaalsContact C-N 3.35Å; T111-E113 PolarHBondContact O-N 3.07Å; T111-W114 PolarHBondContact O-N 3.38Å; T111-F115 HydrophobicContact CG2-CD2 3.94Å; T111-F115 HydrophobicContact CG2-CE2 3.78Å; T111-F115 VanDerWaalsContact O-CD2 3.28Å; T111-F115 WeakPolarHBondContact O-CD2 3.17Å; T111-F115 PolarHBondContact O-N 2.94Å; T111-F115 VanDerWaalsContact O-N 3.14Å; T111-I167 HydrophobicContact CG2-CD1 3.51Å
112K85.8Confident85.9Confident86 Ų8651 Ų5137%0.37429%0.285SS..Hα-helixtrans-60-44.7176.1-78.6-175.9175.1-173.20112G108 G109 W114 F115 L116G108-K112 WeakPolarHBondContact O-CG 3.24Å; G108-K112 PolarHBondContact O-N 3.04Å; G109-K112 PolarHBondContact O-N 2.94Å; K112-W114 VanDerWaalsContact C-N 3.34Å; K112-W114 PolarHBondContact O-N 3.45Å; K112-F115 PolarHBondContact O-N 3.34Å; K112-L116 WeakPolarHBondContact O-CB 3.45Å; K112-L116 PolarHBondContact O-N 3.03Å
113E87.3Confident86.1Confident40 Ų4047.9 Ų47.919%0.18727%0.271CS..Hα-helixtrans-60.1-45178-169.2-179.4-172.200111.6R73 F99 G109 L110 T111 F115 L116 L117R73-E113 IonicContact CZ-OE1 2.79Å; R73-E113 IonicContact NH1-OE1 3.17Å; R73-E113 PolarHBondContact NH1-OE1 3.02Å; R73-E113 IonicContact NH2-OE1 3.04Å; R73-E113 PolarHBondContact NH2-OE1 3.25Å; R73-E113 IonicContact NH2-OE2 3.56Å; R73-E113 PolarHBondContact NH2-OE2 2.91Å; F99-E113 HydrophobicContact CE2-CG 4.45Å; G109-E113 WeakPolarHBondContact O-CB 3.37Å; G109-E113 PolarHBondContact O-N 3.34Å; L110-E113 PolarHBondContact O-N 2.77Å; T111-E113 PolarHBondContact O-N 3.07Å; E113-F115 PolarHBondContact O-N 3.3Å; E113-L116 PolarHBondContact O-N 3.5Å; E113-L117 HydrophobicContact CG-CD1 3.95Å; E113-L117 HydrophobicContact CG-CG 4.28Å; E113-L117 WeakPolarHBondContact O-CG 3Å; E113-L117 PolarHBondContact O-N 2.99Å
114W92.6Very high86.7Confident0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-59.5-45.3178.3172.773.1000112.9M69 S80 L84 L95 V97 F99 L110 T111 K112 L118 L158 L161M69-W114 HydrophobicContact CE-CH2 4.44Å; M69-W114 HydrophobicContact CE-CZ2 3.8Å; S80-W114 PolarHBondContact OG-NE1 3.36Å; L84-W114 HydrophobicContact CD1-CH2 4.45Å; L95-W114 HydrophobicContact CD2-CE3 4.38Å; L95-W114 HydrophobicContact CD2-CZ3 3.94Å; V97-W114 HydrophobicContact CB-CB 4.4Å; V97-W114 HydrophobicContact CG1-CB 3.84Å; V97-W114 HydrophobicContact CG1-CG 3.96Å; V97-W114 HydrophobicContact CG2-CB 4.06Å; V97-W114 HydrophobicContact CG2-CD2 3.99Å; V97-W114 HydrophobicContact CG2-CE3 4.01Å; V97-W114 HydrophobicContact CG2-CG 4.04Å; F99-W114 HydrophobicContact CZ-CB 4.25Å; L110-W114 WeakPolarHBondContact O-CB 3.46Å; L110-W114 PolarHBondContact O-N 3.42Å; T111-W114 PolarHBondContact O-N 3.38Å; K112-W114 VanDerWaalsContact C-N 3.34Å; K112-W114 PolarHBondContact O-N 3.45Å; W114-L118 HydrophobicContact CD2-CD1 3.88Å; W114-L118 HydrophobicContact CE3-CD1 4.49Å; W114-L118 HydrophobicContact CG-CD1 4.36Å; W114-L118 HydrophobicContact CH2-CD1 4.09Å; W114-L118 HydrophobicContact CZ2-CD1 3.37Å; W114-L118 WeakPolarHBondContact O-CB 3.28Å; W114-L118 WeakPolarHBondContact O-CG 3.46Å; W114-L118 PolarHBondContact O-N 2.96Å; W114-L158 HydrophobicContact CH2-CD2 3.27Å; W114-L158 HydrophobicContact CZ2-CD2 3.81Å; W114-L158 HydrophobicContact CZ3-CD2 3.82Å; W114-L161 HydrophobicContact CH2-CD1 4.32Å
115F92Very high87.3Confident4 Ų449.1 Ų49.12%0.01825%0.252CS..Hα-helixtrans-60.1-48.9173-83.2-68.8000111.6L95 T111 K112 E113 L117 L118 I119 L158 L161 A162 I167 L169L95-F115 HydrophobicContact CD2-CE2 3.67Å; L95-F115 HydrophobicContact CD2-CZ 3.98Å; T111-F115 HydrophobicContact CG2-CD2 3.94Å; T111-F115 HydrophobicContact CG2-CE2 3.78Å; T111-F115 VanDerWaalsContact O-CD2 3.28Å; T111-F115 WeakPolarHBondContact O-CD2 3.17Å; T111-F115 PolarHBondContact O-N 2.94Å; T111-F115 VanDerWaalsContact O-N 3.14Å; K112-F115 PolarHBondContact O-N 3.34Å; E113-F115 PolarHBondContact O-N 3.3Å; F115-L117 PolarHBondContact O-N 3.32Å; F115-L118 PolarHBondContact O-N 2.69Å; F115-I119 WeakPolarHBondContact O-CB 3.37Å; F115-I119 VanDerWaalsContact O-CG1 3.31Å; F115-I119 WeakPolarHBondContact O-CG1 3.18Å; F115-I119 PolarHBondContact O-N 2.75Å; F115-L158 HydrophobicContact CD1-CD2 4.3Å; F115-L158 HydrophobicContact CE1-CB 4.17Å; F115-L158 HydrophobicContact CE1-CD2 3.98Å; F115-L158 WeakPolarHBondContact CE1-O 3.28Å; F115-L161 HydrophobicContact CE1-CB 4.36Å; F115-L161 HydrophobicContact CZ-CB 3.85Å; F115-A162 HydrophobicContact CE1-CB 4.38Å; F115-I167 HydrophobicContact CD2-CD1 3.94Å; F115-I167 HydrophobicContact CD2-CG2 4.02Å; F115-I167 HydrophobicContact CE2-CD1 3.57Å; F115-I167 HydrophobicContact CE2-CG2 4.38Å; F115-L169 HydrophobicContact CB-CD2 3.93Å; F115-L169 HydrophobicContact CD1-CD2 3.47Å; F115-L169 VanDerWaalsContact CD1-CD2 3.47Å; F115-L169 HydrophobicContact CE1-CD2 4.12Å; F115-L169 HydrophobicContact CG-CD2 3.84Å
116L87.9Confident87.7Confident31 Ų3150 Ų5016%0.16226%0.258CS..Hα-helixtrans-57.8-47.3-178.4-177.466.6000111.8K112 E113 R120K112-L116 WeakPolarHBondContact O-CB 3.45Å; K112-L116 PolarHBondContact O-N 3.03Å; E113-L116 PolarHBondContact O-N 3.5Å; L116-R120 WeakPolarHBondContact O-CB 3.42Å; L116-R120 VanDerWaalsContact O-CG 3.26Å; L116-R120 WeakPolarHBondContact O-CG 3.45Å; L116-R120 PolarHBondContact O-N 2.95Å; L116-R120 VanDerWaalsContact O-N 3.07Å
117L90.6Very high88.1Confident53 Ų5352.3 Ų52.328%0.27727%0.265SS..Hα-helixtrans-67.2-41.6-179.2-66.7175.2000112L76 F99 E113 F115 Q121L76-L117 HydrophobicContact CD2-CB 3.36Å; F99-L117 HydrophobicContact CZ-CD1 4.21Å; E113-L117 HydrophobicContact CG-CD1 3.95Å; E113-L117 HydrophobicContact CG-CG 4.28Å; E113-L117 WeakPolarHBondContact O-CG 3Å; E113-L117 PolarHBondContact O-N 2.99Å; F115-L117 PolarHBondContact O-N 3.32Å; L117-Q121 WeakPolarHBondContact O-CB 3.48Å; L117-Q121 PolarHBondContact O-N 3.4Å
118L92.4Very high88.6Confident0 Ų045.9 Ų45.90%024%0.242CC..Hα-helixtrans-63.9-47.6178.2-85.5176.3000112L76 V77 W114 F115 Q121 I122 L158L76-L118 HydrophobicContact CB-CD2 4.42Å; L76-L118 HydrophobicContact CD2-CB 4.39Å; L76-L118 HydrophobicContact CD2-CD2 3.91Å; L76-L118 HydrophobicContact CD2-CG 3.81Å; L76-L118 HydrophobicContact CG-CD2 3.65Å; L76-L118 HydrophobicContact CG-CG 3.85Å; V77-L118 HydrophobicContact CB-CD2 4.43Å; V77-L118 HydrophobicContact CG2-CD2 3.89Å; W114-L118 HydrophobicContact CD2-CD1 3.88Å; W114-L118 HydrophobicContact CE3-CD1 4.49Å; W114-L118 HydrophobicContact CG-CD1 4.36Å; W114-L118 HydrophobicContact CH2-CD1 4.09Å; W114-L118 HydrophobicContact CZ2-CD1 3.37Å; W114-L118 WeakPolarHBondContact O-CB 3.28Å; W114-L118 WeakPolarHBondContact O-CG 3.46Å; W114-L118 PolarHBondContact O-N 2.96Å; F115-L118 PolarHBondContact O-N 2.69Å; L118-Q121 PolarHBondContact O-N 2.97Å; L118-I122 HydrophobicContact CD2-CD1 4.49Å; L118-I122 WeakPolarHBondContact O-CB 3.43Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 2.79Å; L118-L158 HydrophobicContact CB-CD1 4.2Å; L118-L158 HydrophobicContact CD1-CD1 3.92Å; L118-L158 HydrophobicContact CD1-CD2 3.72Å; L118-L158 HydrophobicContact CD1-CG 4.48Å
119I91.5Very high89.1Confident8 Ų844.7 Ų44.74%0.04123%0.228CC..Hα-helixtrans-62.5-45.9-179.9-66.7-49.1000110.2F115 Q121 I122 F123 L158 L169 D170 I171F115-I119 WeakPolarHBondContact O-CB 3.37Å; F115-I119 VanDerWaalsContact O-CG1 3.31Å; F115-I119 WeakPolarHBondContact O-CG1 3.18Å; F115-I119 PolarHBondContact O-N 2.75Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 3.25Å; I119-I122 PolarHBondContact O-N 3.31Å; I119-F123 HydrophobicContact CD1-CD2 4.48Å; I119-F123 HydrophobicContact CD1-CE2 4.05Å; I119-F123 HydrophobicContact CG2-CD2 3.86Å; I119-F123 HydrophobicContact CG2-CE2 4.23Å; I119-F123 WeakPolarHBondContact O-CB 3.27Å; I119-F123 VanDerWaalsContact O-CD2 3.29Å; I119-F123 WeakPolarHBondContact O-CD2 3.27Å; I119-F123 PolarHBondContact O-N 2.79Å; I119-L158 HydrophobicContact CD1-CD1 4.29Å; I119-L169 HydrophobicContact CG1-CD2 4.37Å; I119-D170 WeakPolarHBondContact CG2-O 3.44Å; I119-I171 HydrophobicContact CD1-CD1 3.63Å; I119-I171 HydrophobicContact CD1-CG1 4.09Å; I119-I171 HydrophobicContact CG1-CD1 4.22Å; I119-I171 HydrophobicContact CG1-CG1 4.25Å; I119-I171 HydrophobicContact CG2-CD1 4.39Å; I119-I171 HydrophobicContact CG2-CG1 3.6Å
120R89.3Confident89.6Confident125 Ų12544.4 Ų44.447%0.47222%0.224SC..Hα-helixtrans-58.7-41.6176.6-75.5176.2176.3-175.9-3.9112.9L116 H124L116-R120 WeakPolarHBondContact O-CB 3.42Å; L116-R120 VanDerWaalsContact O-CG 3.26Å; L116-R120 WeakPolarHBondContact O-CG 3.45Å; L116-R120 PolarHBondContact O-N 2.95Å; L116-R120 VanDerWaalsContact O-N 3.07Å; R120-H124 PolarHBondContact O-N 2.98Å
121Q91.6Very high89.8Confident83 Ų8345.7 Ų45.739%0.38823%0.233SC..Hα-helixtrans-70.3-43.4-179.8-173.2174.1-0.500112.3V77 L117 L118 I119 H124 Y127V77-Q121 HydrophobicContact CG2-CB 4.46Å; V77-Q121 HydrophobicContact CG2-CG 4.07Å; L117-Q121 WeakPolarHBondContact O-CB 3.48Å; L117-Q121 PolarHBondContact O-N 3.4Å; L118-Q121 PolarHBondContact O-N 2.97Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 3.25Å; Q121-H124 WeakPolarHBondContact O-CB 3.33Å; Q121-H124 PolarHBondContact O-N 2.94Å; Q121-Y127 HydrophobicContact CG-CD2 4.43Å; Q121-Y127 WeakPolarHBondContact O-CB 3.42Å; Q121-Y127 WeakPolarHBondContact O-CD2 3.29Å
122I91.9Very high89.8Confident1 Ų149.8 Ų49.81%0.00525%0.248CC..Hα-helixtrans-72.9-36.2-175.8-69.4168000112.2V77 L118 I119 H124 M129 F130 L154 V155 L158V77-I122 HydrophobicContact CG2-CG1 4.04Å; L118-I122 HydrophobicContact CD2-CD1 4.49Å; L118-I122 WeakPolarHBondContact O-CB 3.43Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 2.79Å; I119-I122 PolarHBondContact O-N 3.31Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-M129 HydrophobicContact CG2-CE 4.36Å; I122-M129 HydrophobicContact CG2-SD 3.75Å; I122-F130 HydrophobicContact CG2-CD2 4.2Å; I122-F130 HydrophobicContact CG2-CE2 3.82Å; I122-L154 HydrophobicContact CD1-CD2 4.33Å; I122-V155 HydrophobicContact CD1-CG2 4.05Å; I122-V155 HydrophobicContact CG2-CG2 3.67Å; I122-L158 HydrophobicContact CD1-CD1 4.11Å
123F91Very high90.1Very high16 Ų1647.5 Ų47.57%0.0724%0.239CC..THydrogen-bonded Turntrans-88.63.3180-73.2-98.3000112.8I119 F130 H139 V155 I171 F173I119-F123 HydrophobicContact CD1-CD2 4.48Å; I119-F123 HydrophobicContact CD1-CE2 4.05Å; I119-F123 HydrophobicContact CG2-CD2 3.86Å; I119-F123 HydrophobicContact CG2-CE2 4.23Å; I119-F123 WeakPolarHBondContact O-CB 3.27Å; I119-F123 VanDerWaalsContact O-CD2 3.29Å; I119-F123 WeakPolarHBondContact O-CD2 3.27Å; I119-F123 PolarHBondContact O-N 2.79Å; F123-F130 HydrophobicContact CD1-CB 4.18Å; F123-F130 AromaticContact CD1-CD2 3.81Å; F123-F130 HydrophobicContact CD1-CD2 3.81Å; F123-F130 HydrophobicContact CD1-CE2 4.42Å; F123-F130 AromaticContact CD1-CG 4Å; F123-F130 HydrophobicContact CD1-CG 4Å; F123-F130 HydrophobicContact CD2-CD2 4.47Å; F123-F130 HydrophobicContact CE1-CB 4.41Å; F123-F130 HydrophobicContact CE1-CD1 4.16Å; F123-F130 AromaticContact CE1-CD2 3.71Å; F123-F130 HydrophobicContact CE1-CD2 3.71Å; F123-F130 HydrophobicContact CE1-CE1 4.37Å; F123-F130 AromaticContact CE1-CE2 3.95Å; F123-F130 HydrophobicContact CE1-CE2 3.95Å; F123-F130 AromaticContact CE1-CG 3.83Å; F123-F130 HydrophobicContact CE1-CG 3.83Å; F123-F130 HydrophobicContact CE1-CZ 4.28Å; F123-F130 HydrophobicContact CE2-CD2 4.37Å; F123-F130 HydrophobicContact CE2-CE2 4.1Å; F123-F130 HydrophobicContact CG-CD2 4.22Å; F123-F130 HydrophobicContact CZ-CD2 4.01Å; F123-F130 AromaticContact CZ-CE2 3.78Å; F123-F130 HydrophobicContact CZ-CE2 3.78Å; F123-F130 HydrophobicContact CZ-CG 4.49Å; F123-F130 HydrophobicContact CZ-CZ 4.06Å; F123-H139 HydrophobicContact CD1-CB 3.84Å; F123-H139 AromaticContact CD1-CD2 3.61Å; F123-H139 AromaticContact CD1-CG 3.56Å; F123-H139 HydrophobicContact CE1-CB 3.92Å; F123-V155 HydrophobicContact CE2-CG1 4.19Å; F123-V155 HydrophobicContact CZ-CG1 4.21Å; F123-I171 HydrophobicContact CD1-CG2 4.5Å; F123-I171 HydrophobicContact CE1-CG2 3.65Å; F123-I171 HydrophobicContact CE2-CD1 4.03Å; F123-I171 HydrophobicContact CE2-CG1 4.03Å; F123-I171 HydrophobicContact CE2-CG2 4.3Å; F123-I171 HydrophobicContact CZ-CB 4.45Å; F123-I171 HydrophobicContact CZ-CD1 4.06Å; F123-I171 HydrophobicContact CZ-CG1 4.07Å; F123-I171 HydrophobicContact CZ-CG2 3.52Å; F123-F173 AromaticContact CE1-CE1 3.81Å; F123-F173 HydrophobicContact CE1-CE1 3.81Å; F123-F173 HydrophobicContact CE1-CE2 4.34Å; F123-F173 AromaticContact CE1-CZ 3.58Å; F123-F173 HydrophobicContact CE1-CZ 3.58Å; F123-F173 HydrophobicContact CZ-CE1 4.21Å; F123-F173 HydrophobicContact CZ-CE2 4Å; F123-F173 AromaticContact CZ-CZ 3.49Å; F123-F173 HydrophobicContact CZ-CZ 3.49Å; F123-F173 VanDerWaalsContact CZ-CZ 3.49Å
124H89.4Confident90.2Very high95 Ų9553.3 Ų53.344%0.4426%0.263SS..SBendtrans-64.2136.2171.8-161.8-90.4000110R120 Q121 I122 D126 Y127R120-H124 PolarHBondContact O-N 2.98Å; Q121-H124 WeakPolarHBondContact O-CB 3.33Å; Q121-H124 PolarHBondContact O-N 2.94Å; I122-H124 VanDerWaalsContact C-N 3.28Å; H124-D126 IonicContact CE1-OD2 3.91Å; H124-D126 PolarHBondContact CE1-OD2 2.91Å; H124-D126 WeakPolarHBondContact ND1-CB 3.29Å; H124-D126 PolarHBondContact ND1-N 3.16Å; H124-D126 IonicContact ND1-OD2 2.61Å; H124-D126 PolarHBondContact ND1-OD2 3.39Å; H124-D126 PolarHBondContact O-N 3.35Å; H124-Y127 VanDerWaalsContact O-CB 3.25Å; H124-Y127 WeakPolarHBondContact O-CB 3.41Å; H124-Y127 PolarHBondContact O-N 3.47Å
125P85.2Confident89.9Confident91 Ų9158.4 Ų58.459%0.59129%0.291SS*.G310 helixtrans-52.8-40.9-179.7-29.135.8000113.5Y127 G128P125-Y127 PolarHBondContact O-N 3.48Å; P125-G128 PolarHBondContact O-N 3.19Å; P125-G128 VanDerWaalsContact O-N 3.11Å
126D85.6Confident89.8Confident145 Ų14559.8 Ų59.878%0.77530%0.301SS*.G310 helixtrans-64.9-19.9179.4-58.2-16.6000113.9H124 G128H124-D126 IonicContact CE1-OD2 3.91Å; H124-D126 PolarHBondContact CE1-OD2 2.91Å; H124-D126 WeakPolarHBondContact ND1-CB 3.29Å; H124-D126 PolarHBondContact ND1-N 3.16Å; H124-D126 IonicContact ND1-OD2 2.61Å; H124-D126 PolarHBondContact ND1-OD2 3.39Å; H124-D126 PolarHBondContact O-N 3.35Å; D126-G128 VanDerWaalsContact C-N 3.33Å
127Y87.2Confident89.8Confident65 Ų6563.4 Ų63.426%0.25532%0.317SS..G310 helixtrans-72.9-30.2177-160-80.1000111.3V77 Q121 H124 P125 M129 E151V77-Y127 WeakPolarHBondContact CG1-OH 3.27Å; V77-Y127 HydrophobicContact CG2-CE2 4.34Å; Q121-Y127 HydrophobicContact CG-CD2 4.43Å; Q121-Y127 WeakPolarHBondContact O-CB 3.42Å; Q121-Y127 WeakPolarHBondContact O-CD2 3.29Å; H124-Y127 VanDerWaalsContact O-CB 3.25Å; H124-Y127 WeakPolarHBondContact O-CB 3.41Å; H124-Y127 PolarHBondContact O-N 3.47Å; P125-Y127 PolarHBondContact O-N 3.48Å; Y127-M129 VanDerWaalsContact C-N 3.32Å; Y127-M129 HydrophobicContact CD1-CB 4.01Å; Y127-M129 HydrophobicContact CD1-CG 3.57Å; Y127-M129 HydrophobicContact CD1-SD 3.78Å; Y127-M129 HydrophobicContact CE1-CB 4.45Å; Y127-M129 HydrophobicContact CE1-CG 3.55Å; Y127-M129 HydrophobicContact CE1-SD 3.32Å; Y127-M129 WeakPolarHBondContact CE1-SD 3.33Å; Y127-M129 PolarHBondContact O-N 3.49Å; Y127-E151 WeakPolarHBondContact CE1-OE2 3.46Å; Y127-E151 PolarHBondContact OH-OE1 3.32Å; Y127-E151 PolarHBondContact OH-OE2 3.05Å
128G87.4Confident89.8Confident34 Ų3461.3 Ų61.335%0.35131%0.306SS..  trans77.33.117000000116.7P125 D126 S142P125-G128 PolarHBondContact O-N 3.19Å; P125-G128 VanDerWaalsContact O-N 3.11Å; D126-G128 VanDerWaalsContact C-N 3.33Å; G128-S142 WeakPolarHBondContact O-CB 3.49Å
129M91.2Very high89.9Confident8 Ų862.7 Ų62.74%0.03931%0.313CS..SBendtrans-75.3-36.6176.1-82.9-176.57400113.3I122 Y127 S142 E151 F152 V155I122-M129 HydrophobicContact CG2-CE 4.36Å; I122-M129 HydrophobicContact CG2-SD 3.75Å; Y127-M129 VanDerWaalsContact C-N 3.32Å; Y127-M129 HydrophobicContact CD1-CB 4.01Å; Y127-M129 HydrophobicContact CD1-CG 3.57Å; Y127-M129 HydrophobicContact CD1-SD 3.78Å; Y127-M129 HydrophobicContact CE1-CB 4.45Å; Y127-M129 HydrophobicContact CE1-CG 3.55Å; Y127-M129 HydrophobicContact CE1-SD 3.32Å; Y127-M129 WeakPolarHBondContact CE1-SD 3.33Å; Y127-M129 PolarHBondContact O-N 3.49Å; M129-S142 VanDerWaalsContact O-CB 3.32Å; M129-S142 WeakPolarHBondContact O-CB 3.35Å; M129-S142 PolarHBondContact O-N 2.94Å; M129-E151 HydrophobicContact CE-CB 3.79Å; M129-E151 HydrophobicContact SD-CB 3.61Å; M129-F152 HydrophobicContact CB-CE1 4.2Å; M129-F152 HydrophobicContact CB-CZ 4.16Å; M129-F152 HydrophobicContact CE-CB 4.23Å; M129-F152 HydrophobicContact CE-CD1 3.46Å; M129-F152 VanDerWaalsContact CE-CD1 3.46Å; M129-F152 HydrophobicContact CE-CD2 4.05Å; M129-F152 HydrophobicContact CE-CE1 3.68Å; M129-F152 HydrophobicContact CE-CE2 4.25Å; M129-F152 HydrophobicContact CE-CG 3.66Å; M129-F152 HydrophobicContact CE-CZ 4.08Å; M129-F152 VanDerWaalsContact CE-N 3.32Å; M129-F152 HydrophobicContact CG-CE1 4.44Å; M129-F152 HydrophobicContact CG-CZ 4.15Å; M129-F152 WeakPolarHBondContact O-CE1 3.49Å; M129-V155 HydrophobicContact CE-CG2 3.87Å
130F93.4Very high90.1Very high6 Ų662.7 Ų62.73%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-130.2142.2-177.2-59.3-81.8000110.1I122 F123 H139 W140 F141 F152 V155 F173I122-F130 HydrophobicContact CG2-CD2 4.2Å; I122-F130 HydrophobicContact CG2-CE2 3.82Å; F123-F130 HydrophobicContact CD1-CB 4.18Å; F123-F130 AromaticContact CD1-CD2 3.81Å; F123-F130 HydrophobicContact CD1-CD2 3.81Å; F123-F130 HydrophobicContact CD1-CE2 4.42Å; F123-F130 AromaticContact CD1-CG 4Å; F123-F130 HydrophobicContact CD1-CG 4Å; F123-F130 HydrophobicContact CD2-CD2 4.47Å; F123-F130 HydrophobicContact CE1-CB 4.41Å; F123-F130 HydrophobicContact CE1-CD1 4.16Å; F123-F130 AromaticContact CE1-CD2 3.71Å; F123-F130 HydrophobicContact CE1-CD2 3.71Å; F123-F130 HydrophobicContact CE1-CE1 4.37Å; F123-F130 AromaticContact CE1-CE2 3.95Å; F123-F130 HydrophobicContact CE1-CE2 3.95Å; F123-F130 AromaticContact CE1-CG 3.83Å; F123-F130 HydrophobicContact CE1-CG 3.83Å; F123-F130 HydrophobicContact CE1-CZ 4.28Å; F123-F130 HydrophobicContact CE2-CD2 4.37Å; F123-F130 HydrophobicContact CE2-CE2 4.1Å; F123-F130 HydrophobicContact CG-CD2 4.22Å; F123-F130 HydrophobicContact CZ-CD2 4.01Å; F123-F130 AromaticContact CZ-CE2 3.78Å; F123-F130 HydrophobicContact CZ-CE2 3.78Å; F123-F130 HydrophobicContact CZ-CG 4.49Å; F123-F130 HydrophobicContact CZ-CZ 4.06Å; F130-H139 HydrophobicContact CB-CB 4.28Å; F130-W140 CarbonylContact C-O 3.59Å; F130-W140 WeakPolarHBondContact CA-O 3.33Å; F130-W140 WeakPolarHBondContact CB-O 3.3Å; F130-F141 HydrophobicContact CD1-CD1 4.49Å; F130-F141 HydrophobicContact CD1-CG 4.39Å; F130-F141 AromaticContact CE1-CD1 3.8Å; F130-F141 HydrophobicContact CE1-CD1 3.8Å; F130-F141 HydrophobicContact CE1-CD2 4.26Å; F130-F141 AromaticContact CE1-CE1 3.75Å; F130-F141 HydrophobicContact CE1-CE1 3.75Å; F130-F141 HydrophobicContact CE1-CE2 4.19Å; F130-F141 HydrophobicContact CE1-CG 4.05Å; F130-F141 AromaticContact CE1-CZ 3.93Å; F130-F141 HydrophobicContact CE1-CZ 3.93Å; F130-F141 HydrophobicContact CZ-CE1 4.3Å; F130-F152 HydrophobicContact CE1-CE1 4.29Å; F130-F152 HydrophobicContact CZ-CD1 4.21Å; F130-F152 HydrophobicContact CZ-CE1 4.2Å; F130-V155 HydrophobicContact CE2-CG1 4.38Å; F130-V155 HydrophobicContact CE2-CG2 4.1Å; F130-V155 HydrophobicContact CZ-CB 4.49Å; F130-V155 HydrophobicContact CZ-CG1 4.09Å; F130-V155 HydrophobicContact CZ-CG2 4.31Å; F130-F173 AromaticContact CD1-CE1 3.84Å; F130-F173 HydrophobicContact CD1-CE1 3.84Å; F130-F173 HydrophobicContact CD1-CZ 4.2Å; F130-F173 AromaticContact CE1-CE1 3.68Å; F130-F173 HydrophobicContact CE1-CE1 3.68Å; F130-F173 AromaticContact CE1-CZ 3.65Å; F130-F173 HydrophobicContact CE1-CZ 3.65Å; F130-F173 HydrophobicContact CZ-CE1 4.48Å; F130-F173 HydrophobicContact CZ-CZ 4.03Å
131T91.4Very high90.4Very high62 Ų6257 Ų5738%0.3829%0.291SS..EExtended strand (participates in β ladder)trans-97.5129.3173.3-56.10000108.8H139 W140T131-H139 WeakPolarHBondContact O-CA 3.23Å; T131-W140 PolarHBondContact N-O 2.97Å; T131-W140 PolarHBondContact O-N 3.25Å
132Y92.1Very high90.3Very high92 Ų9253.2 Ų53.236%0.36127%0.274SS..EExtended strand (participates in β ladder)trans-85.9116.8172.1-177.2-107.5000110.3K134 H137 H139Y132-K134 HydrophobicContact CD1-CG 4.08Å; Y132-K134 HydrophobicContact CE1-CG 4.09Å; Y132-H137 PolarHBondContact OH-ND1 3.11Å; Y132-H139 AromaticContact CD2-CD2 3.89Å; Y132-H139 AromaticContact CD2-CE1 3.66Å; Y132-H139 AromaticContact CD2-NE2 3.53Å
133H90.8Very high89.9Confident39 Ų3954.4 Ų54.418%0.18128%0.282CS..EExtended strand (participates in β ladder)trans-88.9111.9174.9-70.3-91.7000109.1D135 S136 H137 C138H133-D135 PolarHBondContact O-N 3.22Å; H133-S136 WeakPolarHBondContact CB-OG 3.48Å; H133-H137 WeakPolarHBondContact O-CA 3.4Å; H133-H137 PolarHBondContact O-N 3.42Å; H133-C138 PolarHBondContact N-O 3.33Å; H133-C138 PolarHBondContact O-N 3.38Å
134K88.8Confident89.4Confident161 Ų16156 Ų5670%0.729%0.289SS*.THydrogen-bonded Turntrans-65.6-38.7-174.7-67.6-178.8-179.8177.80112.5Y132 S136 H137Y132-K134 HydrophobicContact CD1-CG 4.08Å; Y132-K134 HydrophobicContact CE1-CG 4.09Å; K134-S136 PolarHBondContact O-N 2.83Å; K134-H137 PolarHBondContact O-CE1 3.12Å; K134-H137 PolarHBondContact O-N 3.22Å; K134-H137 PolarHBondContact O-ND1 3.33Å
135D87.6Confident88.6Confident108 Ų10859.2 Ų59.258%0.57830%0.302SS*.THydrogen-bonded Turntrans-71-32.3-174.4-49.1-45.6000112.7H133 P210H133-D135 PolarHBondContact O-N 3.22Å; D135-P210 HydrophobicContact CB-CG 3.74Å
136S88.4Confident88.2Confident33 Ų3357.6 Ų57.623%0.23129%0.292CS..THydrogen-bonded Turntrans-102.8-4.2179.9510000113.3H133 K134 C138 Q207 I208H133-S136 WeakPolarHBondContact CB-OG 3.48Å; K134-S136 PolarHBondContact O-N 2.83Å; S136-C138 PolarHBondContact O-N 3.32Å; S136-C138 VanDerWaalsContact O-N 3.16Å; S136-C138 PolarHBondContact OG-SG 3.35Å; S136-Q207 VanDerWaalsContact CB-O 3.3Å; S136-Q207 WeakPolarHBondContact CB-O 3.4Å; S136-I208 PolarHBondContact OG-O 3.46Å
137H88.1Confident87.6Confident107 Ų10758.8 Ų58.850%0.49530%0.298SS..THydrogen-bonded Turntrans49.435.9-176.4-63.6-68.1000114.2Y132 H133 K134 R172Y132-H137 PolarHBondContact OH-ND1 3.11Å; H133-H137 WeakPolarHBondContact O-CA 3.4Å; H133-H137 PolarHBondContact O-N 3.42Å; K134-H137 PolarHBondContact O-CE1 3.12Å; K134-H137 PolarHBondContact O-N 3.22Å; K134-H137 PolarHBondContact O-ND1 3.33Å; H137-R172 WeakPolarHBondContact O-CD 3.49Å
138C92.1Very high87.5Confident8 Ų859.9 Ų59.95%0.05431%0.309CS..EExtended strand (participates in β ladder)trans-124.5160.7-178.978.80000112.1H133 S136H133-C138 PolarHBondContact N-O 3.33Å; H133-C138 PolarHBondContact O-N 3.38Å; S136-C138 PolarHBondContact O-N 3.32Å; S136-C138 VanDerWaalsContact O-N 3.16Å; S136-C138 PolarHBondContact OG-SG 3.35Å
139H94.4Very high87.7Confident30 Ų3061 Ų6114%0.13930%0.302CS..EExtended strand (participates in β ladder)trans-98.1140.1170.6-61.586.1000109.2F123 F130 T131 Y132 R172 F173 P174F123-H139 HydrophobicContact CD1-CB 3.84Å; F123-H139 AromaticContact CD1-CD2 3.61Å; F123-H139 AromaticContact CD1-CG 3.56Å; F123-H139 HydrophobicContact CE1-CB 3.92Å; F130-H139 HydrophobicContact CB-CB 4.28Å; T131-H139 WeakPolarHBondContact O-CA 3.23Å; Y132-H139 AromaticContact CD2-CD2 3.89Å; Y132-H139 AromaticContact CD2-CE1 3.66Å; Y132-H139 AromaticContact CD2-NE2 3.53Å; H139-R172 PolarHBondContact N-O 3.35Å; H139-F173 HydrophobicContact CB-CD1 4.46Å; H139-F173 HydrophobicContact CB-CE1 4.36Å; H139-F173 WeakPolarHBondContact O-CD1 3.48Å; H139-P174 WeakPolarHBondContact O-CD 3.37Å
140W95.5Very high87.8Confident8 Ų862 Ų623%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-129.9156.8171.8-167.2-117.9000111F130 T131 S142 P174 C177 K180 I208 L275 I279F130-W140 CarbonylContact C-O 3.59Å; F130-W140 WeakPolarHBondContact CA-O 3.33Å; F130-W140 WeakPolarHBondContact CB-O 3.3Å; T131-W140 PolarHBondContact N-O 2.97Å; T131-W140 PolarHBondContact O-N 3.25Å; W140-S142 PolarHBondContact O-N 3.28Å; W140-P174 HydrophobicContact CE3-CG 3.46Å; W140-P174 VanDerWaalsContact CE3-CG 3.46Å; W140-P174 HydrophobicContact CZ3-CG 3.52Å; W140-C177 HydrophobicContact CZ3-CB 4.09Å; W140-K180 HydrophobicContact CH2-CD 4.07Å; W140-I208 HydrophobicContact CB-CG2 3.91Å; W140-I208 HydrophobicContact CD2-CD1 3.74Å; W140-I208 HydrophobicContact CD2-CG2 4.48Å; W140-I208 HydrophobicContact CE3-CD1 3.77Å; W140-I208 HydrophobicContact CG-CD1 4.32Å; W140-I208 HydrophobicContact CG-CG2 3.99Å; W140-I208 HydrophobicContact CH2-CD1 4.15Å; W140-I208 HydrophobicContact CZ2-CD1 4.14Å; W140-I208 HydrophobicContact CZ3-CD1 3.98Å; W140-L275 HydrophobicContact CZ2-CB 4.47Å; W140-L275 HydrophobicContact CZ2-CD2 3.79Å; W140-I279 HydrophobicContact CH2-CD1 4.09Å; W140-I279 HydrophobicContact CZ2-CD1 3.44Å; W140-I279 VanDerWaalsContact CZ2-CD1 3.44Å
141F94.7Very high87.7Confident5 Ų564.5 Ų64.52%0.02232%0.322CS..EExtended strand (participates in β ladder)trans-64.2132.3-178.2-70.8-103.6000109.9F130 S143 F152 F173 I279 Q282 F283 F286F130-F141 HydrophobicContact CD1-CD1 4.49Å; F130-F141 HydrophobicContact CD1-CG 4.39Å; F130-F141 AromaticContact CE1-CD1 3.8Å; F130-F141 HydrophobicContact CE1-CD1 3.8Å; F130-F141 HydrophobicContact CE1-CD2 4.26Å; F130-F141 AromaticContact CE1-CE1 3.75Å; F130-F141 HydrophobicContact CE1-CE1 3.75Å; F130-F141 HydrophobicContact CE1-CE2 4.19Å; F130-F141 HydrophobicContact CE1-CG 4.05Å; F130-F141 AromaticContact CE1-CZ 3.93Å; F130-F141 HydrophobicContact CE1-CZ 3.93Å; F130-F141 HydrophobicContact CZ-CE1 4.3Å; F141-S143 PolarHBondContact O-N 3.48Å; F141-F152 AromaticContact CD1-CD1 3.73Å; F141-F152 HydrophobicContact CD1-CD1 3.73Å; F141-F152 AromaticContact CD1-CE1 3.66Å; F141-F152 HydrophobicContact CD1-CE1 3.66Å; F141-F152 AromaticContact CE1-CD1 3.8Å; F141-F152 HydrophobicContact CE1-CD1 3.8Å; F141-F152 HydrophobicContact CE1-CE1 4.18Å; F141-F173 HydrophobicContact CE2-CE1 4.22Å; F141-I279 HydrophobicContact CB-CB 3.97Å; F141-I279 HydrophobicContact CB-CD1 4Å; F141-I279 HydrophobicContact CB-CG2 3.72Å; F141-I279 HydrophobicContact CD2-CD1 4.09Å; F141-I279 HydrophobicContact CG-CD1 4.14Å; F141-Q282 HydrophobicContact CD1-CB 4.11Å; F141-F283 HydrophobicContact CD2-CD2 4.04Å; F141-F283 HydrophobicContact CE1-CD2 4.16Å; F141-F283 AromaticContact CE2-CD2 3.53Å; F141-F283 HydrophobicContact CE2-CD2 3.53Å; F141-F283 AromaticContact CE2-CE2 3.77Å; F141-F283 HydrophobicContact CE2-CE2 3.77Å; F141-F283 AromaticContact CZ-CD2 3.6Å; F141-F283 HydrophobicContact CZ-CD2 3.6Å; F141-F283 AromaticContact CZ-CE2 3.94Å; F141-F283 HydrophobicContact CZ-CE2 3.94Å; F141-F286 HydrophobicContact CE1-CB 3.91Å; F141-F286 HydrophobicContact CE1-CD1 4.21Å; F141-F286 AromaticContact CE1-CG 3.99Å; F141-F286 HydrophobicContact CE1-CG 3.99Å; F141-F286 HydrophobicContact CZ-CB 4.18Å; F141-F286 AromaticContact CZ-CD1 3.6Å; F141-F286 HydrophobicContact CZ-CD1 3.6Å; F141-F286 HydrophobicContact CZ-CD2 4.28Å; F141-F286 AromaticContact CZ-CE1 3.92Å; F141-F286 HydrophobicContact CZ-CE1 3.92Å; F141-F286 AromaticContact CZ-CG 3.77Å; F141-F286 HydrophobicContact CZ-CG 3.77Å; F141-F286 HydrophobicContact CZ-CZ 4.41Å
142S89.7Confident87.9Confident4 Ų462 Ų623%0.02831%0.306CS..  trans-65.2131.7169.3178.30000110G128 M129 W140 F144 Q282G128-S142 WeakPolarHBondContact O-CB 3.49Å; M129-S142 VanDerWaalsContact O-CB 3.32Å; M129-S142 WeakPolarHBondContact O-CB 3.35Å; M129-S142 PolarHBondContact O-N 2.94Å; W140-S142 PolarHBondContact O-N 3.28Å; S142-F144 PolarHBondContact O-N 2.92Å; S142-F144 WeakPolarHBondContact OG-CB 3.49Å; S142-F144 WeakPolarHBondContact OG-CD2 3.42Å; S142-F144 WeakPolarHBondContact OG-CG 3.42Å; S142-F144 PolarHBondContact OG-N 3.3Å; S142-Q282 PolarHBondContact O-NE2 3.46Å
143S83.9Confident88.1Confident25 Ų2561.6 Ų61.618%0.17530%0.304CS..  trans-78-2.4174.957.10000112.7F141 K145 Q238F141-S143 PolarHBondContact O-N 3.48Å; S143-K145 PolarHBondContact O-N 2.96Å; S143-Q238 PolarHBondContact OG-OE1 3Å
144F81.2Confident88.2Confident50 Ų5059.8 Ų59.822%0.21930%0.295CS..  trans-59.8132.5-178.1-58.9-19000111.2S142 C146 E240 F241 Q282S142-F144 PolarHBondContact O-N 2.92Å; S142-F144 WeakPolarHBondContact OG-CB 3.49Å; S142-F144 WeakPolarHBondContact OG-CD2 3.42Å; S142-F144 WeakPolarHBondContact OG-CG 3.42Å; S142-F144 PolarHBondContact OG-N 3.3Å; F144-C146 PolarHBondContact O-N 3.11Å; F144-C146 VanDerWaalsContact O-N 3.08Å; F144-E240 HydrophobicContact CD1-CB 3.84Å; F144-E240 HydrophobicContact CD1-CG 3.78Å; F144-E240 HydrophobicContact CE1-CB 3.92Å; F144-E240 HydrophobicContact CE1-CG 3.98Å; F144-F241 HydrophobicContact CB-CE2 3.79Å; F144-F241 HydrophobicContact CB-CZ 4.22Å; F144-F241 HydrophobicContact CD1-CD2 4.47Å; F144-F241 HydrophobicContact CD1-CE2 4.28Å; F144-F241 HydrophobicContact CD2-CD2 4.21Å; F144-F241 AromaticContact CD2-CE1 3.93Å; F144-F241 HydrophobicContact CD2-CE1 3.93Å; F144-F241 AromaticContact CD2-CE2 3.52Å; F144-F241 HydrophobicContact CD2-CE2 3.52Å; F144-F241 AromaticContact CD2-CZ 3.35Å; F144-F241 HydrophobicContact CD2-CZ 3.35Å; F144-F241 HydrophobicContact CE2-CD1 4.4Å; F144-F241 HydrophobicContact CE2-CE1 4.04Å; F144-F241 HydrophobicContact CE2-CE2 4.19Å; F144-F241 AromaticContact CE2-CZ 3.94Å; F144-F241 HydrophobicContact CE2-CZ 3.94Å; F144-F241 HydrophobicContact CG-CD2 4.19Å; F144-F241 AromaticContact CG-CE2 3.58Å; F144-F241 HydrophobicContact CG-CE2 3.58Å; F144-F241 AromaticContact CG-CZ 3.92Å; F144-F241 HydrophobicContact CG-CZ 3.92Å; F144-Q282 PolarHBondContact O-NE2 3.04Å
145K72.5Confident88.5Confident163 Ų16352.1 Ų52.171%0.70926%0.262SS*.  trans-65.6113173.6-71.3-173.7-179.6178.10108.7S143S143-K145 PolarHBondContact O-N 2.96Å
146C75.4Confident88.9Confident56 Ų5647 Ų4738%0.37824%0.235SC..  trans-108.9144.2167.7-171.80000109.2F144 N148 Y149F144-C146 PolarHBondContact O-N 3.11Å; F144-C146 VanDerWaalsContact O-N 3.08Å; C146-N148 VanDerWaalsContact C-N 3.32Å; C146-N148 PolarHBondContact SG-N 3.01Å; C146-N148 VanDerWaalsContact SG-N 3.45Å; C146-N148 PolarHBondContact SG-O 3.46Å; C146-Y149 PolarHBondContact O-OH 2.94Å
147D74.8Confident89.2Confident171 Ų17145.9 Ų45.991%0.91423%0.226SC*.SBendtrans-77.7-21.5175.7-67.2-34.1000112.2
148N84.4Confident89.5Confident88 Ų8840.8 Ų40.847%0.47120%0.202SC..  trans-123.4120-178.1-173.29.6000112.2C146 S150C146-N148 VanDerWaalsContact C-N 3.32Å; C146-N148 PolarHBondContact SG-N 3.01Å; C146-N148 VanDerWaalsContact SG-N 3.45Å; C146-N148 PolarHBondContact SG-O 3.46Å; N148-S150 VanDerWaalsContact CG-OG 3.27Å; N148-S150 PolarHBondContact ND2-OG 3.48Å; N148-S150 WeakPolarHBondContact OD1-CB 3.48Å; N148-S150 PolarHBondContact OD1-N 2.65Å; N148-S150 PolarHBondContact OD1-OG 3.11Å
149Y91.9Very high89.7Confident56 Ų5640.4 Ų40.422%0.2220%0.2CC..  trans-100.110.1177.8-50.8-76.5000113.2C146 E151 F152 R153 K281 Q282 A285C146-Y149 PolarHBondContact O-OH 2.94Å; Y149-E151 PolarHBondContact O-N 3.01Å; Y149-F152 HydrophobicContact CD1-CD2 4.32Å; Y149-F152 PolarHBondContact O-N 3.37Å; Y149-R153 PolarHBondContact O-N 2.68Å; Y149-R153 VanDerWaalsContact O-N 3.11Å; Y149-K281 HydrophobicContact CD1-CB 4.14Å; Y149-K281 HydrophobicContact CE1-CB 3.59Å; Y149-K281 HydrophobicContact CE1-CD 4.47Å; Y149-K281 HydrophobicContact CE2-CB 4Å; Y149-K281 HydrophobicContact CE2-CD 4.01Å; Y149-K281 WeakPolarHBondContact OH-CD 3.31Å; Y149-Q282 HydrophobicContact CD1-CG 4.13Å; Y149-Q282 HydrophobicContact CE1-CG 4.11Å; Y149-A285 WeakPolarHBondContact O-CB 3.36Å
150S91.9Very high89.6Confident29 Ų2939 Ų3920%0.20319%0.193CC..Hα-helixtrans-61.4-32.8-177.7650000112.9L81 N148 R153 L154L81-S150 WeakPolarHBondContact CD1-O 3.44Å; N148-S150 VanDerWaalsContact CG-OG 3.27Å; N148-S150 PolarHBondContact ND2-OG 3.48Å; N148-S150 WeakPolarHBondContact OD1-CB 3.48Å; N148-S150 PolarHBondContact OD1-N 2.65Å; N148-S150 PolarHBondContact OD1-OG 3.11Å; S150-R153 WeakPolarHBondContact O-CB 3.37Å; S150-R153 PolarHBondContact O-N 3.23Å; S150-L154 PolarHBondContact O-N 3.42Å
151E92.6Very high89.5Confident60 Ų6038.6 Ų38.628%0.2819%0.192SC..Hα-helixtrans-74-38.3179.8-60.1-178167.600111.4Y127 M129 Y149 R153 L154 V155Y127-E151 WeakPolarHBondContact CE1-OE2 3.46Å; Y127-E151 PolarHBondContact OH-OE1 3.32Å; Y127-E151 PolarHBondContact OH-OE2 3.05Å; M129-E151 HydrophobicContact CE-CB 3.79Å; M129-E151 HydrophobicContact SD-CB 3.61Å; Y149-E151 PolarHBondContact O-N 3.01Å; E151-R153 VanDerWaalsContact C-N 3.27Å; E151-R153 PolarHBondContact O-N 3.05Å; E151-L154 WeakPolarHBondContact O-CA 3.45Å; E151-L154 VanDerWaalsContact O-CB 3.28Å; E151-L154 WeakPolarHBondContact O-CB 3.35Å; E151-L154 PolarHBondContact O-N 3.32Å; E151-V155 WeakPolarHBondContact O-CG2 3.4Å; E151-V155 PolarHBondContact O-N 3.01Å
152F95.3Very high89.3Confident9 Ų938.3 Ų38.34%0.03919%0.191CC..Hα-helixtrans-60.7-41.3170.2-71.7-73.8000111.1M129 F130 F141 Y149 L154 V155 G156 Q282 A285 F286M129-F152 HydrophobicContact CB-CE1 4.2Å; M129-F152 HydrophobicContact CB-CZ 4.16Å; M129-F152 HydrophobicContact CE-CB 4.23Å; M129-F152 HydrophobicContact CE-CD1 3.46Å; M129-F152 VanDerWaalsContact CE-CD1 3.46Å; M129-F152 HydrophobicContact CE-CD2 4.05Å; M129-F152 HydrophobicContact CE-CE1 3.68Å; M129-F152 HydrophobicContact CE-CE2 4.25Å; M129-F152 HydrophobicContact CE-CG 3.66Å; M129-F152 HydrophobicContact CE-CZ 4.08Å; M129-F152 VanDerWaalsContact CE-N 3.32Å; M129-F152 HydrophobicContact CG-CE1 4.44Å; M129-F152 HydrophobicContact CG-CZ 4.15Å; M129-F152 WeakPolarHBondContact O-CE1 3.49Å; F130-F152 HydrophobicContact CE1-CE1 4.29Å; F130-F152 HydrophobicContact CZ-CD1 4.21Å; F130-F152 HydrophobicContact CZ-CE1 4.2Å; F141-F152 AromaticContact CD1-CD1 3.73Å; F141-F152 HydrophobicContact CD1-CD1 3.73Å; F141-F152 AromaticContact CD1-CE1 3.66Å; F141-F152 HydrophobicContact CD1-CE1 3.66Å; F141-F152 AromaticContact CE1-CD1 3.8Å; F141-F152 HydrophobicContact CE1-CD1 3.8Å; F141-F152 HydrophobicContact CE1-CE1 4.18Å; Y149-F152 HydrophobicContact CD1-CD2 4.32Å; Y149-F152 PolarHBondContact O-N 3.37Å; F152-L154 VanDerWaalsContact C-N 3.32Å; F152-L154 PolarHBondContact O-N 2.82Å; F152-V155 PolarHBondContact O-N 2.91Å; F152-G156 PolarHBondContact O-N 2.7Å; F152-Q282 WeakPolarHBondContact CB-O 3.34Å; F152-Q282 HydrophobicContact CD1-CB 3.98Å; F152-Q282 HydrophobicContact CD2-CB 3.86Å; F152-Q282 HydrophobicContact CD2-CG 3.92Å; F152-Q282 HydrophobicContact CE1-CB 3.93Å; F152-Q282 HydrophobicContact CE1-CG 4.24Å; F152-Q282 HydrophobicContact CE2-CB 3.8Å; F152-Q282 HydrophobicContact CE2-CG 3.44Å; F152-Q282 VanDerWaalsContact CE2-CG 3.44Å; F152-Q282 HydrophobicContact CG-CB 3.95Å; F152-Q282 HydrophobicContact CG-CG 4.49Å; F152-Q282 HydrophobicContact CZ-CB 3.84Å; F152-Q282 HydrophobicContact CZ-CG 3.62Å; F152-A285 HydrophobicContact CB-CB 4.1Å; F152-F286 HydrophobicContact CB-CB 4.35Å; F152-F286 VanDerWaalsContact O-CA 3.27Å; F152-F286 WeakPolarHBondContact O-CA 3.32Å
153R95.3Very high89.3Confident83 Ų8338.6 Ų38.631%0.31319%0.192SC..Hα-helixtrans-61.1-40171.9-178.9-178.6-73.2-119.80.1112Y149 S150 E151 G156 I157 A285 G289Y149-R153 PolarHBondContact O-N 2.68Å; Y149-R153 VanDerWaalsContact O-N 3.11Å; S150-R153 WeakPolarHBondContact O-CB 3.37Å; S150-R153 PolarHBondContact O-N 3.23Å; E151-R153 VanDerWaalsContact C-N 3.27Å; E151-R153 PolarHBondContact O-N 3.05Å; R153-G156 PolarHBondContact O-N 3.26Å; R153-I157 HydrophobicContact CG-CD1 4.15Å; R153-I157 WeakPolarHBondContact O-CG1 3.47Å; R153-I157 PolarHBondContact O-N 2.94Å; R153-A285 VanDerWaalsContact CA-O 3.27Å; R153-A285 WeakPolarHBondContact CA-O 3.28Å; R153-A285 HydrophobicContact CB-CB 4.34Å; R153-A285 WeakPolarHBondContact CB-O 3.35Å; R153-G289 WeakPolarHBondContact O-CA 3.36Å
154L93.6Very high89.5Confident1 Ų137.7 Ų37.71%0.00519%0.185CC..Hα-helixtrans-58.4-49.8174.3170.565.2000111V77 L81 L84 I122 S150 E151 F152 G156 I157 L158V77-L154 HydrophobicContact CG1-CD2 4.01Å; L81-L154 HydrophobicContact CB-CD2 4.23Å; L81-L154 HydrophobicContact CD1-CB 3.83Å; L81-L154 HydrophobicContact CD1-CD2 4.36Å; L84-L154 HydrophobicContact CD1-CD1 3.32Å; I122-L154 HydrophobicContact CD1-CD2 4.33Å; S150-L154 PolarHBondContact O-N 3.42Å; E151-L154 WeakPolarHBondContact O-CA 3.45Å; E151-L154 VanDerWaalsContact O-CB 3.28Å; E151-L154 WeakPolarHBondContact O-CB 3.35Å; E151-L154 PolarHBondContact O-N 3.32Å; F152-L154 VanDerWaalsContact C-N 3.32Å; F152-L154 PolarHBondContact O-N 2.82Å; L154-G156 PolarHBondContact O-N 3.31Å; L154-I157 CarbonylContact O-C 3.59Å; L154-I157 WeakPolarHBondContact O-CA 3.4Å; L154-I157 WeakPolarHBondContact O-CB 3.35Å; L154-I157 PolarHBondContact O-N 3.23Å; L154-L158 HydrophobicContact CD1-CD1 4.38Å; L154-L158 HydrophobicContact CD1-CD2 4.35Å; L154-L158 HydrophobicContact CD1-CG 4.11Å; L154-L158 HydrophobicContact CG-CD1 4.18Å; L154-L158 HydrophobicContact CG-CG 4.34Å; L154-L158 WeakPolarHBondContact O-CG 3.32Å; L154-L158 PolarHBondContact O-N 3.45Å
155V95.4Very high89.8Confident0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-58.3-39.8178-177.30000111.1I122 F123 M129 F130 E151 F152 L158 M159 F286I122-V155 HydrophobicContact CD1-CG2 4.05Å; I122-V155 HydrophobicContact CG2-CG2 3.67Å; F123-V155 HydrophobicContact CE2-CG1 4.19Å; F123-V155 HydrophobicContact CZ-CG1 4.21Å; M129-V155 HydrophobicContact CE-CG2 3.87Å; F130-V155 HydrophobicContact CE2-CG1 4.38Å; F130-V155 HydrophobicContact CE2-CG2 4.1Å; F130-V155 HydrophobicContact CZ-CB 4.49Å; F130-V155 HydrophobicContact CZ-CG1 4.09Å; F130-V155 HydrophobicContact CZ-CG2 4.31Å; E151-V155 WeakPolarHBondContact O-CG2 3.4Å; E151-V155 PolarHBondContact O-N 3.01Å; F152-V155 PolarHBondContact O-N 2.91Å; V155-L158 PolarHBondContact O-N 3.26Å; V155-M159 WeakPolarHBondContact O-CB 3.47Å; V155-M159 PolarHBondContact O-N 2.89Å; V155-F286 HydrophobicContact CB-CD2 4.16Å; V155-F286 HydrophobicContact CB-CE2 4.42Å; V155-F286 HydrophobicContact CG1-CD2 4.1Å; V155-F286 HydrophobicContact CG1-CE2 3.9Å
156G96Very high90.3Very high0 Ų032.2 Ų32.20%017%0.171CC..Hα-helixtrans-58.1-50.4171.900000112.2F152 R153 L154 L158 M159 G160 F286 F290F152-G156 PolarHBondContact O-N 2.7Å; R153-G156 PolarHBondContact O-N 3.26Å; L154-G156 PolarHBondContact O-N 3.31Å; G156-L158 VanDerWaalsContact C-N 3.32Å; G156-L158 PolarHBondContact O-N 2.98Å; G156-M159 PolarHBondContact O-N 3.28Å; G156-G160 PolarHBondContact O-N 3.27Å; G156-F286 VanDerWaalsContact CA-CD2 3.49Å; G156-F286 VanDerWaalsContact CA-O 3.32Å; G156-F286 WeakPolarHBondContact CA-O 3.41Å; G156-F286 VanDerWaalsContact N-CD2 3.34Å; G156-F290 WeakPolarHBondContact O-CA 3.48Å; G156-F290 PolarHBondContact O-N 2.95Å
157I95.4Very high90.8Very high10 Ų1030.8 Ų30.85%0.05116%0.159CC..Hα-helixtrans-59.5-43.2177.5-66.4166000110.7L84 L91 R153 L154 M159 G160 L161 V293L84-I157 HydrophobicContact CD1-CG2 3.94Å; L84-I157 HydrophobicContact CD2-CG2 4.12Å; L84-I157 HydrophobicContact CG-CG2 4.47Å; L91-I157 HydrophobicContact CD2-CG2 4.03Å; R153-I157 HydrophobicContact CG-CD1 4.15Å; R153-I157 WeakPolarHBondContact O-CG1 3.47Å; R153-I157 PolarHBondContact O-N 2.94Å; L154-I157 CarbonylContact O-C 3.59Å; L154-I157 WeakPolarHBondContact O-CA 3.4Å; L154-I157 WeakPolarHBondContact O-CB 3.35Å; L154-I157 PolarHBondContact O-N 3.23Å; I157-M159 VanDerWaalsContact C-N 3.35Å; I157-M159 PolarHBondContact O-N 2.61Å; I157-G160 PolarHBondContact O-N 2.96Å; I157-L161 HydrophobicContact CG2-CD1 3.85Å; I157-L161 HydrophobicContact CG2-CG 4.09Å; I157-L161 WeakPolarHBondContact O-CB 3.24Å; I157-L161 VanDerWaalsContact O-CG 3.32Å; I157-L161 WeakPolarHBondContact O-CG 3.23Å; I157-L161 PolarHBondContact O-N 2.96Å; I157-V293 HydrophobicContact CG2-CG2 4.06Å
158L94.4Very high91.4Very high0 Ų025.2 Ų25.20%013%0.131CC..Hα-helixtrans-60.2-46.1178-66.8176000111.1W114 F115 L118 I119 I122 L154 V155 G156 G160 L161 A162W114-L158 HydrophobicContact CH2-CD2 3.27Å; W114-L158 HydrophobicContact CZ2-CD2 3.81Å; W114-L158 HydrophobicContact CZ3-CD2 3.82Å; F115-L158 HydrophobicContact CD1-CD2 4.3Å; F115-L158 HydrophobicContact CE1-CB 4.17Å; F115-L158 HydrophobicContact CE1-CD2 3.98Å; F115-L158 WeakPolarHBondContact CE1-O 3.28Å; L118-L158 HydrophobicContact CB-CD1 4.2Å; L118-L158 HydrophobicContact CD1-CD1 3.92Å; L118-L158 HydrophobicContact CD1-CD2 3.72Å; L118-L158 HydrophobicContact CD1-CG 4.48Å; I119-L158 HydrophobicContact CD1-CD1 4.29Å; I122-L158 HydrophobicContact CD1-CD1 4.11Å; L154-L158 HydrophobicContact CD1-CD1 4.38Å; L154-L158 HydrophobicContact CD1-CD2 4.35Å; L154-L158 HydrophobicContact CD1-CG 4.11Å; L154-L158 HydrophobicContact CG-CD1 4.18Å; L154-L158 HydrophobicContact CG-CG 4.34Å; L154-L158 WeakPolarHBondContact O-CG 3.32Å; L154-L158 PolarHBondContact O-N 3.45Å; V155-L158 PolarHBondContact O-N 3.26Å; G156-L158 VanDerWaalsContact C-N 3.32Å; G156-L158 PolarHBondContact O-N 2.98Å; L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 3.33Å; L158-L161 PolarHBondContact O-N 3.22Å; L158-A162 WeakPolarHBondContact O-CB 3.14Å; L158-A162 PolarHBondContact O-N 2.95Å
159M94.9Very high91.6Very high0 Ų021.2 Ų21.20%011%0.109CC..Hα-helixtrans-63.1-39.5176.7-170.6172.1162.100111.9V155 G156 I157 A162 V163 L169 Y178 L181 F286 F290 V307 V311V155-M159 WeakPolarHBondContact O-CB 3.47Å; V155-M159 PolarHBondContact O-N 2.89Å; G156-M159 PolarHBondContact O-N 3.28Å; I157-M159 VanDerWaalsContact C-N 3.35Å; I157-M159 PolarHBondContact O-N 2.61Å; M159-A162 PolarHBondContact O-N 3.39Å; M159-V163 PolarHBondContact O-N 3.07Å; M159-L169 HydrophobicContact CB-CD1 4.39Å; M159-Y178 HydrophobicContact CE-CD1 3.77Å; M159-Y178 HydrophobicContact CE-CE1 3.49Å; M159-Y178 VanDerWaalsContact CE-CE1 3.49Å; M159-L181 HydrophobicContact CE-CD1 3.28Å; M159-L181 HydrophobicContact SD-CD1 3.98Å; M159-F286 HydrophobicContact SD-CE2 3.98Å; M159-F286 HydrophobicContact SD-CZ 3.49Å; M159-F286 WeakPolarHBondContact SD-CZ 3.43Å; M159-F290 HydrophobicContact CB-CD2 4.06Å; M159-F290 HydrophobicContact CE-CD2 4.45Å; M159-F290 HydrophobicContact CE-CE2 4.24Å; M159-F290 HydrophobicContact CG-CD2 3.86Å; M159-F290 HydrophobicContact CG-CE2 4.02Å; M159-F290 HydrophobicContact SD-CD2 4.34Å; M159-V307 HydrophobicContact CE-CG1 4.37Å; M159-V311 HydrophobicContact CE-CB 4.19Å; M159-V311 HydrophobicContact CE-CG1 3.99Å; M159-V311 HydrophobicContact CE-CG2 3.55Å; M159-V311 HydrophobicContact CG-CB 4.45Å; M159-V311 HydrophobicContact CG-CG1 3.67Å; M159-V311 HydrophobicContact CG-CG2 3.88Å; M159-V311 HydrophobicContact SD-CG1 4.24Å
160G93.6Very high91.3Very high0 Ų020.8 Ų20.80%011%0.111CC..Hα-helixtrans-66.2-45.3174.400000112.9G156 I157 L158 A162 V163 Y164 C294G156-G160 PolarHBondContact O-N 3.27Å; I157-G160 PolarHBondContact O-N 2.96Å; L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 3.33Å; G160-A162 VanDerWaalsContact C-N 3.27Å; G160-A162 PolarHBondContact O-N 3Å; G160-V163 PolarHBondContact O-N 3.4Å; G160-Y164 VanDerWaalsContact O-CB 3.23Å; G160-Y164 WeakPolarHBondContact O-CB 3.15Å; G160-Y164 PolarHBondContact O-N 2.91Å; G160-C294 WeakPolarHBondContact CA-SG 3.35Å; G160-C294 PolarHBondContact O-SG 3.29Å
161L93Very high91.1Very high0 Ų019.6 Ų19.60%010%0.102CC..Hα-helixtrans-61.5-36.5175.6-74174000111.6L67 L84 L91 W114 F115 I157 L158 Y164 N165 V293L67-L161 HydrophobicContact CD2-CD1 4.49Å; L67-L161 HydrophobicContact CD2-CD2 4.05Å; L84-L161 HydrophobicContact CD2-CD1 3.93Å; L91-L161 WeakPolarHBondContact O-CD2 3.33Å; W114-L161 HydrophobicContact CH2-CD1 4.32Å; F115-L161 HydrophobicContact CE1-CB 4.36Å; F115-L161 HydrophobicContact CZ-CB 3.85Å; I157-L161 HydrophobicContact CG2-CD1 3.85Å; I157-L161 HydrophobicContact CG2-CG 4.09Å; I157-L161 WeakPolarHBondContact O-CB 3.24Å; I157-L161 VanDerWaalsContact O-CG 3.32Å; I157-L161 WeakPolarHBondContact O-CG 3.23Å; I157-L161 PolarHBondContact O-N 2.96Å; L158-L161 PolarHBondContact O-N 3.22Å; L161-Y164 PolarHBondContact O-N 3.4Å; L161-N165 WeakPolarHBondContact O-CB 3.47Å; L161-N165 PolarHBondContact O-N 3.2Å; L161-N165 PolarHBondContact O-ND2 3.09Å; L161-V293 HydrophobicContact CD2-CG1 3.99Å; L161-V293 HydrophobicContact CD2-CG2 4.26Å; L161-V293 HydrophobicContact CG-CG1 4.43Å; L161-V293 HydrophobicContact CG-CG2 4.16Å
162A90.4Very high91Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-62.2-50.6177.200000111.3F115 L158 M159 G160 Y164 N165 S166 I167 L169F115-A162 HydrophobicContact CE1-CB 4.38Å; L158-A162 WeakPolarHBondContact O-CB 3.14Å; L158-A162 PolarHBondContact O-N 2.95Å; M159-A162 PolarHBondContact O-N 3.39Å; G160-A162 VanDerWaalsContact C-N 3.27Å; G160-A162 PolarHBondContact O-N 3Å; A162-Y164 PolarHBondContact O-N 3.17Å; A162-N165 CarbonylContact O-C 3.59Å; A162-N165 PolarHBondContact O-N 2.93Å; A162-S166 PolarHBondContact O-N 3.16Å; A162-I167 CarbonylContact C-O 3.59Å; A162-I167 WeakPolarHBondContact CB-O 3.32Å; A162-I167 PolarHBondContact O-N 3.31Å; A162-L169 HydrophobicContact CB-CD1 3.59Å; A162-L169 HydrophobicContact CB-CD2 3.79Å; A162-L169 HydrophobicContact CB-CG 3.51Å
163V89.9Confident91Very high9 Ų920.8 Ų20.86%0.05510%0.104CC..Hα-helixtrans-59.6-47174.3176.10000111I34 M159 G160 N165 S166 F290 V311I34-V163 HydrophobicContact CG2-CG1 4.04Å; M159-V163 PolarHBondContact O-N 3.07Å; G160-V163 PolarHBondContact O-N 3.4Å; V163-N165 VanDerWaalsContact C-N 3.29Å; V163-N165 PolarHBondContact O-N 2.74Å; V163-S166 PolarHBondContact O-N 2.97Å; V163-F290 HydrophobicContact CG2-CE2 4.33Å; V163-V311 HydrophobicContact CG2-CG2 3.4Å
164Y88.4Confident91Very high7 Ų717 Ų173%0.0279%0.09CC..Hα-helixtrans-64.2-30.9-176.4-163.3-110.3000113.4S38 Q41 M42 K92 G160 L161 A162 V293S38-Y164 VanDerWaalsContact CB-CD2 3.45Å; S38-Y164 VanDerWaalsContact CB-CE2 3.44Å; S38-Y164 PolarHBondContact O-OH 3.12Å; S38-Y164 VanDerWaalsContact O-OH 3.12Å; S38-Y164 VanDerWaalsContact OG-CD2 3.25Å; S38-Y164 WeakPolarHBondContact OG-CD2 3.26Å; Q41-Y164 HydrophobicContact CB-CE2 4.48Å; Q41-Y164 WeakPolarHBondContact CB-OH 3.41Å; M42-Y164 HydrophobicContact CE-CD1 3.22Å; M42-Y164 HydrophobicContact CE-CE1 3.19Å; M42-Y164 HydrophobicContact CE-CG 4.13Å; M42-Y164 WeakPolarHBondContact CE-O 3.23Å; M42-Y164 HydrophobicContact CG-CD1 4.43Å; M42-Y164 HydrophobicContact CG-CE1 3.42Å; M42-Y164 VanDerWaalsContact CG-CE1 3.42Å; M42-Y164 WeakPolarHBondContact CG-OH 3.31Å; M42-Y164 PolarHBondContact N-OH 2.7Å; M42-Y164 HydrophobicContact SD-CE1 4.14Å; K92-Y164 HydrophobicContact CB-CE1 4.2Å; K92-Y164 PolarHBondContact O-OH 2.8Å; K92-Y164 VanDerWaalsContact O-OH 3.11Å; G160-Y164 VanDerWaalsContact O-CB 3.23Å; G160-Y164 WeakPolarHBondContact O-CB 3.15Å; G160-Y164 PolarHBondContact O-N 2.91Å; L161-Y164 PolarHBondContact O-N 3.4Å; A162-Y164 PolarHBondContact O-N 3.17Å; Y164-V293 HydrophobicContact CD1-CG1 4.15Å; Y164-V293 HydrophobicContact CD2-CG1 4.28Å; Y164-V293 HydrophobicContact CG-CG1 3.81Å
165N85.7Confident91Very high37 Ų3719.2 Ų19.220%0.19811%0.105CC..THydrogen-bonded Turntrans-102.68178.3-66-89.3000113.1L161 A162 V163 I167L161-N165 WeakPolarHBondContact O-CB 3.47Å; L161-N165 PolarHBondContact O-N 3.2Å; L161-N165 PolarHBondContact O-ND2 3.09Å; A162-N165 CarbonylContact O-C 3.59Å; A162-N165 PolarHBondContact O-N 2.93Å; V163-N165 VanDerWaalsContact C-N 3.29Å; V163-N165 PolarHBondContact O-N 2.74Å; N165-I167 VanDerWaalsContact C-N 3.3Å; N165-I167 HydrophobicContact CB-CD1 3.86Å; N165-I167 HydrophobicContact CB-CG1 4.19Å; N165-I167 PolarHBondContact O-N 3.43Å
166S84.9Confident91Very high61 Ų6119.2 Ų19.243%0.42711%0.105SC..THydrogen-bonded Turntrans55.441.1-177.5-570000113.7A162 V163A162-S166 PolarHBondContact O-N 3.16Å; V163-S166 PolarHBondContact O-N 2.97Å
167I84.9Confident91Very high25 Ų2519.2 Ų19.213%0.12811%0.105CC..  trans-106136176.7-64.2167.9000108.3T111 F115 A162 N165T111-I167 HydrophobicContact CG2-CD1 3.51Å; F115-I167 HydrophobicContact CD2-CD1 3.94Å; F115-I167 HydrophobicContact CD2-CG2 4.02Å; F115-I167 HydrophobicContact CE2-CD1 3.57Å; F115-I167 HydrophobicContact CE2-CG2 4.38Å; A162-I167 CarbonylContact C-O 3.59Å; A162-I167 WeakPolarHBondContact CB-O 3.32Å; A162-I167 PolarHBondContact O-N 3.31Å; N165-I167 VanDerWaalsContact C-N 3.3Å; N165-I167 HydrophobicContact CB-CD1 3.86Å; N165-I167 HydrophobicContact CB-CG1 4.19Å; N165-I167 PolarHBondContact O-N 3.43Å
168T86.4Confident91Very high54 Ų5418.8 Ų18.833%0.33110%0.103SC..  trans-89140.8173.352.50000110.8V311T168-V311 CarbonylContact C-O 3.56Å; T168-V311 VanDerWaalsContact CA-O 3.27Å; T168-V311 WeakPolarHBondContact CA-O 3.36Å
169L89.1Confident91.1Very high4 Ų421.6 Ų21.62%0.02112%0.115CC..  trans-107140.3176.1-57.8-178.3000110.4F115 I119 M159 A162 I171 V311 C312F115-L169 HydrophobicContact CB-CD2 3.93Å; F115-L169 HydrophobicContact CD1-CD2 3.47Å; F115-L169 VanDerWaalsContact CD1-CD2 3.47Å; F115-L169 HydrophobicContact CE1-CD2 4.12Å; F115-L169 HydrophobicContact CG-CD2 3.84Å; I119-L169 HydrophobicContact CG1-CD2 4.37Å; M159-L169 HydrophobicContact CB-CD1 4.39Å; A162-L169 HydrophobicContact CB-CD1 3.59Å; A162-L169 HydrophobicContact CB-CD2 3.79Å; A162-L169 HydrophobicContact CB-CG 3.51Å; L169-I171 HydrophobicContact CB-CD1 3.85Å; L169-I171 HydrophobicContact CB-CG1 3.97Å; L169-I171 HydrophobicContact CD1-CD1 3.69Å; L169-I171 HydrophobicContact CG-CD1 4.42Å; L169-I171 PolarHBondContact O-N 3.05Å; L169-V311 HydrophobicContact CB-CG1 4.46Å; L169-V311 HydrophobicContact CD1-CG1 4.31Å; L169-V311 PolarHBondContact N-O 3.09Å; L169-C312 WeakPolarHBondContact O-CA 3.45Å
170D85.1Confident91.2Very high48 Ų4821.6 Ų21.626%0.25712%0.115SC..  trans-83.366.8173.3-168.132.5000110.4I119 H358I119-D170 WeakPolarHBondContact CG2-O 3.44Å; D170-H358 IonicContact OD2-CE1 3.64Å; D170-H358 PolarHBondContact OD2-CE1 3.25Å
171I88.9Confident91.3Very high3 Ų321.6 Ų21.62%0.01512%0.115CC..  trans-121.1141.8177.7-55.9168.1000108.5I119 F123 L169 F173 C312I119-I171 HydrophobicContact CD1-CD1 3.63Å; I119-I171 HydrophobicContact CD1-CG1 4.09Å; I119-I171 HydrophobicContact CG1-CD1 4.22Å; I119-I171 HydrophobicContact CG1-CG1 4.25Å; I119-I171 HydrophobicContact CG2-CD1 4.39Å; I119-I171 HydrophobicContact CG2-CG1 3.6Å; F123-I171 HydrophobicContact CD1-CG2 4.5Å; F123-I171 HydrophobicContact CE1-CG2 3.65Å; F123-I171 HydrophobicContact CE2-CD1 4.03Å; F123-I171 HydrophobicContact CE2-CG1 4.03Å; F123-I171 HydrophobicContact CE2-CG2 4.3Å; F123-I171 HydrophobicContact CZ-CB 4.45Å; F123-I171 HydrophobicContact CZ-CD1 4.06Å; F123-I171 HydrophobicContact CZ-CG1 4.07Å; F123-I171 HydrophobicContact CZ-CG2 3.52Å; L169-I171 HydrophobicContact CB-CD1 3.85Å; L169-I171 HydrophobicContact CB-CG1 3.97Å; L169-I171 HydrophobicContact CD1-CD1 3.69Å; L169-I171 HydrophobicContact CG-CD1 4.42Å; L169-I171 PolarHBondContact O-N 3.05Å; I171-F173 HydrophobicContact CG2-CD2 3.5Å; I171-F173 HydrophobicContact CG2-CE1 4.46Å; I171-F173 HydrophobicContact CG2-CE2 3.47Å; I171-F173 VanDerWaalsContact CG2-CE2 3.47Å; I171-F173 HydrophobicContact CG2-CG 4.05Å; I171-F173 HydrophobicContact CG2-CZ 3.97Å; I171-C312 PolarHBondContact O-SG 2.74Å
172R89.9Confident91.3Very high87 Ų8722.7 Ų22.733%0.32812%0.12SC..  trans-119.393.4174.7-61.7-174.2-172.3-136.5-4.5109.9H137 H139 D364H137-R172 WeakPolarHBondContact O-CD 3.49Å; H139-R172 PolarHBondContact N-O 3.35Å; R172-D364 IonicContact CZ-OD1 3.36Å; R172-D364 IonicContact CZ-OD2 3.57Å; R172-D364 IonicContact NH1-OD2 3.56Å; R172-D364 IonicContact NH2-OD1 2.73Å; R172-D364 PolarHBondContact NH2-OD1 2.92Å; R172-D364 IonicContact NH2-OD2 2.85Å; R172-D364 PolarHBondContact NH2-OD2 3.36Å
173F95.1Very high91.5Very high8 Ų824 Ų244%0.03513%0.13CC..  trans-100.1150.2168.4-74.1-54.2000110.5F123 F130 H139 F141 I171 C177 Y178 F286F123-F173 AromaticContact CE1-CE1 3.81Å; F123-F173 HydrophobicContact CE1-CE1 3.81Å; F123-F173 HydrophobicContact CE1-CE2 4.34Å; F123-F173 AromaticContact CE1-CZ 3.58Å; F123-F173 HydrophobicContact CE1-CZ 3.58Å; F123-F173 HydrophobicContact CZ-CE1 4.21Å; F123-F173 HydrophobicContact CZ-CE2 4Å; F123-F173 AromaticContact CZ-CZ 3.49Å; F123-F173 HydrophobicContact CZ-CZ 3.49Å; F123-F173 VanDerWaalsContact CZ-CZ 3.49Å; F130-F173 AromaticContact CD1-CE1 3.84Å; F130-F173 HydrophobicContact CD1-CE1 3.84Å; F130-F173 HydrophobicContact CD1-CZ 4.2Å; F130-F173 AromaticContact CE1-CE1 3.68Å; F130-F173 HydrophobicContact CE1-CE1 3.68Å; F130-F173 AromaticContact CE1-CZ 3.65Å; F130-F173 HydrophobicContact CE1-CZ 3.65Å; F130-F173 HydrophobicContact CZ-CE1 4.48Å; F130-F173 HydrophobicContact CZ-CZ 4.03Å; H139-F173 HydrophobicContact CB-CD1 4.46Å; H139-F173 HydrophobicContact CB-CE1 4.36Å; H139-F173 WeakPolarHBondContact O-CD1 3.48Å; F141-F173 HydrophobicContact CE2-CE1 4.22Å; I171-F173 HydrophobicContact CG2-CD2 3.5Å; I171-F173 HydrophobicContact CG2-CE1 4.46Å; I171-F173 HydrophobicContact CG2-CE2 3.47Å; I171-F173 VanDerWaalsContact CG2-CE2 3.47Å; I171-F173 HydrophobicContact CG2-CG 4.05Å; I171-F173 HydrophobicContact CG2-CZ 3.97Å; F173-C177 HydrophobicContact CB-CB 3.7Å; F173-C177 HydrophobicContact CG-CB 4.18Å; F173-Y178 HydrophobicContact CB-CE2 3.96Å; F173-F286 HydrophobicContact CE2-CZ 4.24Å
174P94.9Very high91.7Very high3 Ų325.6 Ų25.62%0.01914%0.14CC..  trans-67.8156.317232.6-40000111.1H139 W140 C176 C177 Q207 I208H139-P174 WeakPolarHBondContact O-CD 3.37Å; W140-P174 HydrophobicContact CE3-CG 3.46Å; W140-P174 VanDerWaalsContact CE3-CG 3.46Å; W140-P174 HydrophobicContact CZ3-CG 3.52Å; P174-C176 PolarHBondContact O-N 3.13Å; P174-C176 VanDerWaalsContact O-N 3.09Å; P174-C177 HydrophobicContact CG-CB 4.44Å; P174-C177 WeakPolarHBondContact O-CB 3.5Å; P174-C177 PolarHBondContact O-N 3.46Å; P174-Q207 HydrophobicContact CB-CB 4.34Å; P174-I208 HydrophobicContact CB-CD1 4.2Å; P174-I208 HydrophobicContact CB-CG1 3.64Å; P174-I208 HydrophobicContact CG-CD1 3.75Å; P174-I208 HydrophobicContact CG-CG1 3.61Å
175P93.7Very high91.7Very high47 Ų4727.2 Ų27.231%0.30515%0.152SC..Hα-helixtrans-52-35.8-179.8-3036.5000114.5C177 Y178 K179P175-C177 PolarHBondContact O-N 2.8Å; P175-Y178 PolarHBondContact O-N 2.7Å; P175-Y178 VanDerWaalsContact O-N 3.12Å; P175-K179 PolarHBondContact O-N 2.72Å
176C95.4Very high91.8Very high1 Ų128.7 Ų28.71%0.00716%0.159CC..Hα-helixtrans-63-24.5179.167.30000113.2P174 K179 K180 D204P174-C176 PolarHBondContact O-N 3.13Å; P174-C176 VanDerWaalsContact O-N 3.09Å; C176-K179 PolarHBondContact O-N 2.64Å; C176-K180 VanDerWaalsContact O-CG 3.23Å; C176-K180 WeakPolarHBondContact O-CG 3.2Å; C176-K180 PolarHBondContact O-N 2.61Å; C176-D204 HydrophobicContact CB-CB 4.09Å
177C97.1Very high92Very high0 Ų028.7 Ų28.70%015%0.153CC..Hα-helixtrans-60.4-47173.3-173.70000111W140 F173 P174 P175 K180 L181W140-C177 HydrophobicContact CZ3-CB 4.09Å; F173-C177 HydrophobicContact CB-CB 3.7Å; F173-C177 HydrophobicContact CG-CB 4.18Å; P174-C177 HydrophobicContact CG-CB 4.44Å; P174-C177 WeakPolarHBondContact O-CB 3.5Å; P174-C177 PolarHBondContact O-N 3.46Å; P175-C177 PolarHBondContact O-N 2.8Å; C177-K180 PolarHBondContact O-N 3.44Å; C177-L181 PolarHBondContact O-N 3.19Å
178Y95.9Very high92.2Very high0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-71.3-33.8-179.9-53.6-81.1000111.8M159 F173 P175 L181 L182 P304 V307 E308 C312M159-Y178 HydrophobicContact CE-CD1 3.77Å; M159-Y178 HydrophobicContact CE-CE1 3.49Å; M159-Y178 VanDerWaalsContact CE-CE1 3.49Å; F173-Y178 HydrophobicContact CB-CE2 3.96Å; P175-Y178 PolarHBondContact O-N 2.7Å; P175-Y178 VanDerWaalsContact O-N 3.12Å; Y178-L181 HydrophobicContact CD1-CD1 4.42Å; Y178-L181 WeakPolarHBondContact O-CB 3.31Å; Y178-L181 PolarHBondContact O-N 2.79Å; Y178-L182 PolarHBondContact O-N 2.82Å; Y178-L182 VanDerWaalsContact O-N 3.15Å; Y178-P304 VanDerWaalsContact CB-O 3.29Å; Y178-P304 WeakPolarHBondContact CB-O 3.47Å; Y178-V307 HydrophobicContact CD1-CB 4.14Å; Y178-V307 HydrophobicContact CD1-CG1 3.86Å; Y178-E308 HydrophobicContact CD1-CB 4.15Å; Y178-E308 HydrophobicContact CD2-CB 3.83Å; Y178-E308 HydrophobicContact CD2-CG 4.36Å; Y178-E308 HydrophobicContact CE1-CB 3.91Å; Y178-E308 HydrophobicContact CE1-CG 4.35Å; Y178-E308 HydrophobicContact CE2-CB 3.6Å; Y178-E308 HydrophobicContact CE2-CG 3.65Å; Y178-E308 HydrophobicContact CG-CB 4.1Å; Y178-C312 PolarHBondContact OH-SG 3.27Å
179K95.9Very high92.2Very high60 Ų6032.5 Ų32.526%0.26118%0.184SC..Hα-helixtrans-60.2-45.3171.3-172.7-175.5-175.6-1760111.4P175 C176 L182 S183 C198 N199 D204 P304P175-K179 PolarHBondContact O-N 2.72Å; C176-K179 PolarHBondContact O-N 2.64Å; K179-L182 CarbonylContact O-C 3.6Å; K179-L182 PolarHBondContact O-N 3.46Å; K179-S183 PolarHBondContact O-N 3.35Å; K179-S183 PolarHBondContact O-OG 2.87Å; K179-C198 HydrophobicContact CD-CB 4.44Å; K179-C198 HydrophobicContact CG-CB 4.17Å; K179-N199 VanDerWaalsContact CE-O 3.23Å; K179-N199 WeakPolarHBondContact CE-O 3.32Å; K179-N199 PolarHBondContact NZ-O 3.48Å; K179-D204 IonicContact NZ-OD1 3.91Å; K179-D204 IonicContact NZ-OD2 2.95Å; K179-D204 PolarHBondContact NZ-OD2 3.14Å; K179-D204 VanDerWaalsContact NZ-OD2 3.09Å; K179-P304 HydrophobicContact CB-CB 4.32Å; K179-P304 HydrophobicContact CB-CG 4.09Å; K179-P304 HydrophobicContact CG-CG 4.47Å
180K96.9Very high92.1Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-64.9-40.7175.2-68.5167.666.970.70111.8W140 C176 C177 L182 S183 G196 C198 L275 N276 F283W140-K180 HydrophobicContact CH2-CD 4.07Å; C176-K180 VanDerWaalsContact O-CG 3.23Å; C176-K180 WeakPolarHBondContact O-CG 3.2Å; C176-K180 PolarHBondContact O-N 2.61Å; C177-K180 PolarHBondContact O-N 3.44Å; K180-L182 PolarHBondContact O-N 2.86Å; K180-S183 WeakPolarHBondContact O-CB 3.34Å; K180-S183 PolarHBondContact O-N 3.15Å; K180-G196 VanDerWaalsContact CE-O 3.27Å; K180-G196 WeakPolarHBondContact CE-O 3.34Å; K180-G196 WeakPolarHBondContact CG-O 3.46Å; K180-G196 PolarHBondContact NZ-O 3.07Å; K180-G196 WeakPolarHBondContact O-CA 3.24Å; K180-C198 WeakPolarHBondContact CG-SG 3.37Å; K180-L275 VanDerWaalsContact CE-O 3.23Å; K180-L275 WeakPolarHBondContact CE-O 3.4Å; K180-L275 PolarHBondContact NZ-O 2.96Å; K180-N276 PolarHBondContact NZ-OD1 3.44Å; K180-F283 HydrophobicContact CB-CD1 4.32Å; K180-F283 HydrophobicContact CB-CE1 3.45Å; K180-F283 VanDerWaalsContact CB-CE1 3.45Å; K180-F283 HydrophobicContact CB-CE2 3.88Å; K180-F283 HydrophobicContact CB-CZ 3.19Å; K180-F283 HydrophobicContact CD-CD2 4.41Å; K180-F283 HydrophobicContact CD-CE2 4.08Å; K180-F283 HydrophobicContact CD-CZ 4.24Å; K180-F283 HydrophobicContact CG-CZ 4.32Å
181L95.4Very high92Very high0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-58.1-31.1175.1-83.9176000113.5M159 C177 Y178 S183 F283 F286 Y287 F290 H291M159-L181 HydrophobicContact CE-CD1 3.28Å; M159-L181 HydrophobicContact SD-CD1 3.98Å; C177-L181 PolarHBondContact O-N 3.19Å; Y178-L181 HydrophobicContact CD1-CD1 4.42Å; Y178-L181 WeakPolarHBondContact O-CB 3.31Å; Y178-L181 PolarHBondContact O-N 2.79Å; L181-S183 VanDerWaalsContact C-N 3.34Å; L181-F283 HydrophobicContact CD2-CZ 4.35Å; L181-F283 HydrophobicContact CG-CZ 4.13Å; L181-F286 HydrophobicContact CD1-CE1 3.8Å; L181-F286 HydrophobicContact CD1-CZ 4.04Å; L181-F286 HydrophobicContact CD2-CD1 3.85Å; L181-F286 HydrophobicContact CD2-CE1 3.43Å; L181-F286 VanDerWaalsContact CD2-CE1 3.43Å; L181-F286 HydrophobicContact CD2-CZ 4.21Å; L181-F286 HydrophobicContact CG-CD1 4.49Å; L181-F286 HydrophobicContact CG-CE1 3.71Å; L181-F286 HydrophobicContact CG-CZ 4.44Å; L181-Y287 VanDerWaalsContact O-CE2 3.24Å; L181-Y287 WeakPolarHBondContact O-CE2 3.42Å; L181-F290 HydrophobicContact CD2-CB 3.95Å; L181-F290 HydrophobicContact CD2-CD1 4.02Å; L181-F290 HydrophobicContact CD2-CG 3.99Å; L181-H291 PolarHBondContact O-NE2 2.93Å
182L94.2Very high91.8Very high22 Ų2248.6 Ų48.612%0.11526%0.264CS..THydrogen-bonded Turntrans-92.514.5175.8-61.7-178.6000113.5Y178 K179 K180 P184 P185 P304 V307Y178-L182 PolarHBondContact O-N 2.82Å; Y178-L182 VanDerWaalsContact O-N 3.15Å; K179-L182 CarbonylContact O-C 3.6Å; K179-L182 PolarHBondContact O-N 3.46Å; K180-L182 PolarHBondContact O-N 2.86Å; L182-P184 CarbonylContact C-O 3.6Å; L182-P184 CarbonylContact O-C 3.55Å; L182-P184 WeakPolarHBondContact O-CA 3.37Å; L182-P185 HydrophobicContact CB-CB 4.37Å; L182-P185 HydrophobicContact CD2-CB 3.99Å; L182-P185 WeakPolarHBondContact O-CD 3.41Å; L182-P304 HydrophobicContact CD1-CG 4.2Å; L182-V307 HydrophobicContact CD1-CG2 3.82Å; L182-V307 HydrophobicContact CD2-CG2 4.04Å; L182-V307 HydrophobicContact CG-CG2 4.12Å
183S94.1Very high91.8Very high29 Ų2948.2 Ų48.220%0.20327%0.268CS..SBendtrans-118.582.9-177.9-610000111.7K179 K180 L181 G196 I197 C198K179-S183 PolarHBondContact O-N 3.35Å; K179-S183 PolarHBondContact O-OG 2.87Å; K180-S183 WeakPolarHBondContact O-CB 3.34Å; K180-S183 PolarHBondContact O-N 3.15Å; L181-S183 VanDerWaalsContact C-N 3.34Å; S183-G196 PolarHBondContact O-N 3.44Å; S183-I197 VanDerWaalsContact CB-O 3.29Å; S183-I197 WeakPolarHBondContact CB-O 3.36Å; S183-C198 WeakPolarHBondContact OG-CB 3.42Å
184P92.9Very high91.7Very high41 Ų4151.1 Ų51.127%0.26629%0.288SS..SBendcis-84.6165.4-4.829.7-28000113.3L182 I186 P188 Y287L182-P184 CarbonylContact C-O 3.6Å; L182-P184 CarbonylContact O-C 3.55Å; L182-P184 WeakPolarHBondContact O-CA 3.37Å; P184-I186 WeakPolarHBondContact CG-O 3.23Å; P184-I186 PolarHBondContact O-N 3.39Å; P184-P188 HydrophobicContact CG-CG 3.64Å; P184-Y287 VanDerWaalsContact O-CE2 3.23Å; P184-Y287 WeakPolarHBondContact O-CE2 3.46Å; P184-Y287 PolarHBondContact O-OH 2.86Å
185P88.5Confident91.8Very high41 Ų4151 Ų5127%0.26629%0.287SS..SBendtrans-78-6.1-178.632.8-35.5000113.4L182 H291 M300L182-P185 HydrophobicContact CB-CB 4.37Å; L182-P185 HydrophobicContact CD2-CB 3.99Å; L182-P185 WeakPolarHBondContact O-CD 3.41Å; P185-H291 PolarHBondContact O-CE1 3.39Å; P185-M300 HydrophobicContact CG-CG 4.39Å
186I88.8Confident91.8Very high69 Ų6948.8 Ų48.835%0.35427%0.273SS..SBendtrans-132.1137.2174.2-63.4177000107.4P184 P188 M300P184-I186 WeakPolarHBondContact CG-O 3.23Å; P184-I186 PolarHBondContact O-N 3.39Å; I186-P188 WeakPolarHBondContact O-CD 3.2Å; I186-M300 HydrophobicContact CD1-CG 3.76Å; I186-M300 HydrophobicContact CD1-SD 3.4Å; I186-M300 WeakPolarHBondContact CD1-SD 3.44Å; I186-M300 HydrophobicContact CG1-CG 4.12Å; I186-M300 HydrophobicContact CG1-SD 4.38Å
187I89.6Confident91.8Very high60 Ų6052.2 Ų52.231%0.30829%0.29SS..  trans-56.6123.7175.7-60.8172.2000109.3Y287 Y288 H291I187-Y287 HydrophobicContact CG1-CE1 4.11Å; I187-Y288 HydrophobicContact CD1-CD1 4.38Å; I187-Y288 HydrophobicContact CG2-CE1 4.1Å; I187-H291 HydrophobicContact CD1-CB 3.5Å; I187-H291 VanDerWaalsContact CD1-CB 3.5Å; I187-H291 HydrophobicContact CG1-CB 3.49Å; I187-H291 VanDerWaalsContact CG1-CB 3.49Å
188P88.4Confident91.6Very high27 Ų2752.9 Ų52.918%0.17530%0.295CS..  trans-61.5142.7174.4-21.833.6000111.7P184 I186 D190 I193 V195P184-P188 HydrophobicContact CG-CG 3.64Å; I186-P188 WeakPolarHBondContact O-CD 3.2Å; P188-D190 PolarHBondContact O-N 3.08Å; P188-I193 HydrophobicContact CB-CB 3.95Å; P188-I193 HydrophobicContact CB-CD1 3.96Å; P188-I193 HydrophobicContact CB-CG1 4.48Å; P188-I193 HydrophobicContact CB-CG2 4.2Å; P188-I193 HydrophobicContact CG-CB 4.07Å; P188-I193 HydrophobicContact CG-CG2 3.87Å; P188-V195 HydrophobicContact CG-CG1 4.1Å
189S86.4Confident91.5Very high133 Ų13358.8 Ų58.893%0.9333%0.326SS*.SBendtrans-63.7-31.4174.3-530000112.3
190D88.1Confident91.5Very high78 Ų7856.5 Ų56.542%0.41732%0.317SS..SBendtrans-88.7117.2174.5-176.8-0.6000110.3P188 N192 I193P188-D190 PolarHBondContact O-N 3.08Å; D190-N192 PolarHBondContact O-N 3.17Å; D190-N192 WeakPolarHBondContact OD1-CB 3.4Å; D190-N192 PolarHBondContact OD1-N 3.31Å; D190-N192 PolarHBondContact OD1-ND2 3.33Å; D190-I193 HydrophobicContact CB-CD1 3.88Å; D190-I193 HydrophobicContact CB-CG1 4.03Å; D190-I193 PolarHBondContact O-N 2.94Å
191Q81.6Confident91.4Very high173 Ų17359.2 Ų59.281%0.80833%0.334SS*.THydrogen-bonded Turntrans-69-12.7-179-63.7-178500113.5I193Q191-I193 VanDerWaalsContact C-N 3.33Å
192N86Confident91.4Very high141 Ų14160.3 Ų60.375%0.75434%0.34SS*.THydrogen-bonded Turntrans-81.6-14.2176.8-58.6-59.6000112.9D190D190-N192 PolarHBondContact O-N 3.17Å; D190-N192 WeakPolarHBondContact OD1-CB 3.4Å; D190-N192 PolarHBondContact OD1-N 3.31Å; D190-N192 PolarHBondContact OD1-ND2 3.33Å
193I89.9Confident91.5Very high80 Ų8065 Ų6541%0.4137%0.366SS..SBendtrans-74.7122.3178.3-63174.7000108.5P188 D190 Q191P188-I193 HydrophobicContact CB-CB 3.95Å; P188-I193 HydrophobicContact CB-CD1 3.96Å; P188-I193 HydrophobicContact CB-CG1 4.48Å; P188-I193 HydrophobicContact CB-CG2 4.2Å; P188-I193 HydrophobicContact CG-CB 4.07Å; P188-I193 HydrophobicContact CG-CG2 3.87Å; D190-I193 HydrophobicContact CB-CD1 3.88Å; D190-I193 HydrophobicContact CB-CG1 4.03Å; D190-I193 PolarHBondContact O-N 2.94Å; Q191-I193 VanDerWaalsContact C-N 3.33Å
194P92.9Very high91.6Very high69 Ų6964.8 Ų64.845%0.44836%0.362SS..  trans-65.8144.1179.527.6-34.1000111.1I197 Y280P194-I197 HydrophobicContact CB-CD1 3.68Å; P194-I197 HydrophobicContact CB-CG1 4.35Å; P194-I197 HydrophobicContact CG-CD1 4.3Å; P194-Y280 WeakPolarHBondContact CA-OH 3.35Å; P194-Y280 HydrophobicContact CB-CE2 4.21Å; P194-Y280 WeakPolarHBondContact CB-OH 3.25Å
195V95.5Very high91.8Very high0 Ų062.8 Ų62.80%035%0.35CS..  trans-121.3156.5180-61.30000110.2P188 I197 Y280 A284 Y287 Y288P188-V195 HydrophobicContact CG-CG1 4.1Å; V195-I197 PolarHBondContact O-N 3.23Å; V195-Y280 WeakPolarHBondContact O-CE2 3.39Å; V195-A284 HydrophobicContact CG2-CB 4.22Å; V195-Y287 HydrophobicContact CB-CD1 3.64Å; V195-Y287 HydrophobicContact CB-CD2 4.26Å; V195-Y287 HydrophobicContact CB-CE1 3.52Å; V195-Y287 HydrophobicContact CB-CE2 4.14Å; V195-Y287 HydrophobicContact CB-CG 4.04Å; V195-Y287 HydrophobicContact CG1-CD1 4.16Å; V195-Y287 HydrophobicContact CG1-CE1 3.62Å; V195-Y287 HydrophobicContact CG2-CD1 3.44Å; V195-Y287 VanDerWaalsContact CG2-CD1 3.44Å; V195-Y287 HydrophobicContact CG2-CE1 3.82Å; V195-Y287 HydrophobicContact CG2-CG 3.9Å; V195-Y288 HydrophobicContact CG2-CE1 4.4Å; V195-Y288 HydrophobicContact CG2-CE2 3.98Å
196G94.6Very high92.1Very high0 Ų063.4 Ų63.40%035%0.354CS..SBendtrans71.713.4-179.300000114.3K180 S183K180-G196 VanDerWaalsContact CE-O 3.27Å; K180-G196 WeakPolarHBondContact CE-O 3.34Å; K180-G196 WeakPolarHBondContact CG-O 3.46Å; K180-G196 PolarHBondContact NZ-O 3.07Å; K180-G196 WeakPolarHBondContact O-CA 3.24Å; S183-G196 PolarHBondContact O-N 3.44Å
197I94.7Very high92.4Very high74 Ų7465.1 Ų65.138%0.37936%0.361SS..  trans-104.9124176.4-56-173.5000108S183 P194 V195 N276 Y280S183-I197 VanDerWaalsContact CB-O 3.29Å; S183-I197 WeakPolarHBondContact CB-O 3.36Å; P194-I197 HydrophobicContact CB-CD1 3.68Å; P194-I197 HydrophobicContact CB-CG1 4.35Å; P194-I197 HydrophobicContact CG-CD1 4.3Å; V195-I197 PolarHBondContact O-N 3.23Å; I197-N276 HydrophobicContact CG2-CB 4.47Å; I197-Y280 HydrophobicContact CD1-CD2 3.92Å; I197-Y280 HydrophobicContact CD1-CE2 3.71Å; I197-Y280 HydrophobicContact CG1-CD2 3.91Å; I197-Y280 HydrophobicContact CG1-CE2 3.8Å
198C94.2Very high92.7Very high14 Ų1462.3 Ų62.310%0.09535%0.346CS..  trans-131.8163.617569.60000110.6K179 K180 S183 V200 N276K179-C198 HydrophobicContact CD-CB 4.44Å; K179-C198 HydrophobicContact CG-CB 4.17Å; K180-C198 WeakPolarHBondContact CG-SG 3.37Å; S183-C198 WeakPolarHBondContact OG-CB 3.42Å; C198-V200 PolarHBondContact O-N 2.93Å; C198-N276 PolarHBondContact O-ND2 3.09Å
199N93.9Very high93Very high123 Ų12362.8 Ų62.866%0.65835%0.346SS*.  trans-63.2131.3167.1-171.921.1000109K179K179-N199 VanDerWaalsContact CE-O 3.23Å; K179-N199 WeakPolarHBondContact CE-O 3.32Å; K179-N199 PolarHBondContact NZ-O 3.48Å
200V94.3Very high93.5Very high13 Ų1358.2 Ų58.28%0.07931%0.314CS..  trans-125.8142.4-177.1-710000110.1C198 D204 T271 D272 L275C198-V200 PolarHBondContact O-N 2.93Å; V200-D204 WeakPolarHBondContact CA-OD2 3Å; V200-T271 HydrophobicContact CB-CG2 4.09Å; V200-T271 HydrophobicContact CG2-CG2 3.8Å; V200-D272 HydrophobicContact CG2-CB 4.42Å; V200-L275 HydrophobicContact CB-CB 4.34Å; V200-L275 HydrophobicContact CB-CD1 3.99Å; V200-L275 HydrophobicContact CG1-CB 3.94Å; V200-L275 HydrophobicContact CG1-CD1 4.1Å; V200-L275 HydrophobicContact CG2-CB 4.32Å
201T95.4Very high93.8Very high56 Ų5661.7 Ų61.734%0.34433%0.328SS..  trans-117.8170.7-18066.20000111.7D203 D204 L205 T271T201-D203 PolarHBondContact O-N 3.34Å; T201-D203 PolarHBondContact OG1-N 3.42Å; T201-D204 PolarHBondContact N-OD2 3.39Å; T201-D204 WeakPolarHBondContact O-CB 3.28Å; T201-D204 PolarHBondContact O-N 2.97Å; T201-D204 VanDerWaalsContact O-N 3.12Å; T201-D204 PolarHBondContact OG1-N 3.48Å; T201-L205 PolarHBondContact O-N 3.46Å; T201-L205 VanDerWaalsContact O-N 3.11Å; T201-T271 WeakPolarHBondContact O-CG2 3.25Å
202V96.3Very high94.4Very high23 Ų2356 Ų5614%0.13930%0.302CS..Hα-helixtrans-61-30.2172-1780000111L205 C206 A213 L220 V267V202-L205 CarbonylContact O-C 3.5Å; V202-L205 WeakPolarHBondContact O-CB 3.39Å; V202-L205 PolarHBondContact O-N 3.38Å; V202-C206 WeakPolarHBondContact O-CB 3.45Å; V202-C206 PolarHBondContact O-N 3.44Å; V202-A213 HydrophobicContact CG1-CB 3.95Å; V202-L220 HydrophobicContact CG2-CD1 4.43Å; V202-V267 HydrophobicContact CG2-CG1 3.4Å; V202-V267 VanDerWaalsContact CG2-CG1 3.4Å
203D95.9Very high94.9Very high122 Ų12249.3 Ų49.365%0.65227%0.266SS*.Hα-helixtrans-65.2-41.7173.5-55.1-43000111.7T201 L205 C206 Q207T201-D203 PolarHBondContact O-N 3.34Å; T201-D203 PolarHBondContact OG1-N 3.42Å; D203-L205 VanDerWaalsContact C-N 3.26Å; D203-L205 PolarHBondContact O-N 2.88Å; D203-C206 WeakPolarHBondContact O-CB 3.49Å; D203-C206 PolarHBondContact O-N 3.34Å; D203-Q207 WeakPolarHBondContact O-CG 3.33Å; D203-Q207 PolarHBondContact O-N 2.78Å
204D96.2Very high95.2Very high23 Ų2351 Ų5112%0.12327%0.272CS..Hα-helixtrans-60.6-39.3173.6-70.3-49.7000110.5C176 K179 V200 T201 L275C176-D204 HydrophobicContact CB-CB 4.09Å; K179-D204 IonicContact NZ-OD1 3.91Å; K179-D204 IonicContact NZ-OD2 2.95Å; K179-D204 PolarHBondContact NZ-OD2 3.14Å; K179-D204 VanDerWaalsContact NZ-OD2 3.09Å; V200-D204 WeakPolarHBondContact CA-OD2 3Å; T201-D204 PolarHBondContact N-OD2 3.39Å; T201-D204 WeakPolarHBondContact O-CB 3.28Å; T201-D204 PolarHBondContact O-N 2.97Å; T201-D204 VanDerWaalsContact O-N 3.12Å; T201-D204 PolarHBondContact OG1-N 3.48Å; D204-L275 HydrophobicContact CB-CD1 4.01Å
205L96.3Very high95.4Very high0 Ų049.1 Ų49.10%027%0.266CS..Hα-helixtrans-67.6-38.7175.8-176.865.4000112.3T201 V202 D203 Q207 I208 M209 L212 A213 L216 T271 L274 L275T201-L205 PolarHBondContact O-N 3.46Å; T201-L205 VanDerWaalsContact O-N 3.11Å; V202-L205 CarbonylContact O-C 3.5Å; V202-L205 WeakPolarHBondContact O-CB 3.39Å; V202-L205 PolarHBondContact O-N 3.38Å; D203-L205 VanDerWaalsContact C-N 3.26Å; D203-L205 PolarHBondContact O-N 2.88Å; L205-Q207 PolarHBondContact O-N 2.9Å; L205-I208 PolarHBondContact O-N 3.35Å; L205-M209 HydrophobicContact CD1-CB 4.19Å; L205-M209 HydrophobicContact CD1-CE 3.83Å; L205-M209 HydrophobicContact CD1-SD 4.18Å; L205-M209 PolarHBondContact O-N 3.23Å; L205-L212 HydrophobicContact CD2-CD2 4.25Å; L205-L212 HydrophobicContact CD2-CG 4.24Å; L205-A213 HydrophobicContact CB-CB 4.41Å; L205-A213 HydrophobicContact CD2-CB 4.37Å; L205-A213 HydrophobicContact CG-CB 4.25Å; L205-L216 HydrophobicContact CD2-CD1 3.62Å; L205-T271 HydrophobicContact CB-CG2 4.33Å; L205-L274 HydrophobicContact CD1-CD1 3.97Å; L205-L275 HydrophobicContact CB-CD1 4.25Å; L205-L275 HydrophobicContact CD1-CD2 4.16Å; L205-L275 HydrophobicContact CD1-CG 4.4Å
206C96.2Very high95.5Very high53 Ų5349.5 Ų49.536%0.35827%0.268SS..Hα-helixtrans-59.8-32.1179.9-171.50000112.3V202 D203 I208 A213V202-C206 WeakPolarHBondContact O-CB 3.45Å; V202-C206 PolarHBondContact O-N 3.44Å; D203-C206 WeakPolarHBondContact O-CB 3.49Å; D203-C206 PolarHBondContact O-N 3.34Å; C206-I208 PolarHBondContact O-N 3.28Å; C206-A213 VanDerWaalsContact CA-CB 3.45Å; C206-A213 HydrophobicContact CB-CB 3.61Å
207Q94.4Very high95.6Very high106 Ų10651.9 Ų51.950%0.49528%0.284SS..THydrogen-bonded Turntrans-67.6-11.4174.9-60.3-60-38.100114S136 P174 D203 L205S136-Q207 VanDerWaalsContact CB-O 3.3Å; S136-Q207 WeakPolarHBondContact CB-O 3.4Å; P174-Q207 HydrophobicContact CB-CB 4.34Å; D203-Q207 WeakPolarHBondContact O-CG 3.33Å; D203-Q207 PolarHBondContact O-N 2.78Å; L205-Q207 PolarHBondContact O-N 2.9Å
208I95.2Very high95.7Very high1 Ų153 Ų531%0.00529%0.288CS..THydrogen-bonded Turntrans-117.8-53-178.7-54.3167.8000110.2S136 W140 P174 L205 C206 P210 L275S136-I208 PolarHBondContact OG-O 3.46Å; W140-I208 HydrophobicContact CB-CG2 3.91Å; W140-I208 HydrophobicContact CD2-CD1 3.74Å; W140-I208 HydrophobicContact CD2-CG2 4.48Å; W140-I208 HydrophobicContact CE3-CD1 3.77Å; W140-I208 HydrophobicContact CG-CD1 4.32Å; W140-I208 HydrophobicContact CG-CG2 3.99Å; W140-I208 HydrophobicContact CH2-CD1 4.15Å; W140-I208 HydrophobicContact CZ2-CD1 4.14Å; W140-I208 HydrophobicContact CZ3-CD1 3.98Å; P174-I208 HydrophobicContact CB-CD1 4.2Å; P174-I208 HydrophobicContact CB-CG1 3.64Å; P174-I208 HydrophobicContact CG-CD1 3.75Å; P174-I208 HydrophobicContact CG-CG1 3.61Å; L205-I208 PolarHBondContact O-N 3.35Å; C206-I208 PolarHBondContact O-N 3.28Å; I208-P210 WeakPolarHBondContact O-CD 3.41Å; I208-L275 HydrophobicContact CD1-CD2 3.44Å; I208-L275 VanDerWaalsContact CD1-CD2 3.44Å
209M95.1Very high95.8Very high36 Ų3652.7 Ų52.718%0.17729%0.285CS..  trans-125.675.4-174-62.2174.7-11800109.1L205 E211 L212 A213 L274L205-M209 HydrophobicContact CD1-CB 4.19Å; L205-M209 HydrophobicContact CD1-CE 3.83Å; L205-M209 HydrophobicContact CD1-SD 4.18Å; L205-M209 PolarHBondContact O-N 3.23Å; M209-E211 PolarHBondContact O-N 3.32Å; M209-L212 HydrophobicContact CB-CB 4.03Å; M209-L212 PolarHBondContact O-N 3.22Å; M209-L212 HydrophobicContact SD-CD2 4.09Å; M209-A213 WeakPolarHBondContact O-CB 3.23Å; M209-A213 PolarHBondContact O-N 3.48Å; M209-L274 HydrophobicContact CE-CB 4.42Å; M209-L274 HydrophobicContact CE-CD1 4.32Å; M209-L274 HydrophobicContact SD-CD1 4.33Å
210P95.9Very high96Very high38 Ų3849.4 Ų49.425%0.24727%0.267CS..Hα-helixtrans-61.9-40.2-173.322.7-33000113D135 I208 A213 H214D135-P210 HydrophobicContact CB-CG 3.74Å; I208-P210 WeakPolarHBondContact O-CD 3.41Å; P210-A213 PolarHBondContact O-N 2.9Å; P210-H214 WeakPolarHBondContact O-CB 3.48Å; P210-H214 PolarHBondContact O-N 3.14Å
211E94.6Very high96.1Very high151 Ų15152.8 Ų52.871%0.70629%0.292SS*.Hα-helixtrans-63.4-44.3178.3-62.9-169.315600112.2M209 H214 G215M209-E211 PolarHBondContact O-N 3.32Å; E211-H214 WeakPolarHBondContact O-CB 3.34Å; E211-H214 PolarHBondContact O-N 3.21Å; E211-G215 PolarHBondContact O-N 3Å
212L95.1Very high96.1Very high52 Ų5252.7 Ų52.727%0.27229%0.287SS..Hα-helixtrans-65.6-43.3176.9179.560.6000111.2L205 M209 H214 G215 L216 Y270 L274L205-L212 HydrophobicContact CD2-CD2 4.25Å; L205-L212 HydrophobicContact CD2-CG 4.24Å; M209-L212 HydrophobicContact CB-CB 4.03Å; M209-L212 PolarHBondContact O-N 3.22Å; M209-L212 HydrophobicContact SD-CD2 4.09Å; L212-H214 VanDerWaalsContact C-N 3.26Å; L212-H214 PolarHBondContact O-N 3.15Å; L212-G215 PolarHBondContact O-N 3.27Å; L212-L216 HydrophobicContact CD1-CD1 4.46Å; L212-L216 HydrophobicContact CD1-CG 4.3Å; L212-L216 HydrophobicContact CG-CD1 4.25Å; L212-L216 HydrophobicContact CG-CG 4.48Å; L212-L216 WeakPolarHBondContact O-CG 3.1Å; L212-L216 PolarHBondContact O-N 2.82Å; L212-Y270 HydrophobicContact CD1-CE1 4.22Å; L212-L274 HydrophobicContact CD2-CD1 3.49Å; L212-L274 VanDerWaalsContact CD2-CD1 3.49Å
213A96.8Very high96.1Very high1 Ų160.8 Ų60.81%0.00832%0.323CS..Hα-helixtrans-61.9-36.7176.900000111.9V202 L205 C206 M209 P210 S217V202-A213 HydrophobicContact CG1-CB 3.95Å; L205-A213 HydrophobicContact CB-CB 4.41Å; L205-A213 HydrophobicContact CD2-CB 4.37Å; L205-A213 HydrophobicContact CG-CB 4.25Å; C206-A213 VanDerWaalsContact CA-CB 3.45Å; C206-A213 HydrophobicContact CB-CB 3.61Å; M209-A213 WeakPolarHBondContact O-CB 3.23Å; M209-A213 PolarHBondContact O-N 3.48Å; P210-A213 PolarHBondContact O-N 2.9Å; A213-S217 WeakPolarHBondContact O-CB 3.48Å; A213-S217 PolarHBondContact O-N 3.5Å; A213-S217 PolarHBondContact O-OG 2.77Å
214H96.8Very high96Very high115 Ų11556.5 Ų56.553%0.53231%0.308SS..Hα-helixtrans-61.4-52.7173.1-177.263.1000111.4P210 E211 L212 L216 S217 E218P210-H214 WeakPolarHBondContact O-CB 3.48Å; P210-H214 PolarHBondContact O-N 3.14Å; E211-H214 WeakPolarHBondContact O-CB 3.34Å; E211-H214 PolarHBondContact O-N 3.21Å; L212-H214 VanDerWaalsContact C-N 3.26Å; L212-H214 PolarHBondContact O-N 3.15Å; H214-L216 VanDerWaalsContact C-N 3.32Å; H214-L216 PolarHBondContact O-N 3.33Å; H214-S217 CarbonylContact O-C 3.46Å; H214-S217 WeakPolarHBondContact O-CA 3.18Å; H214-S217 VanDerWaalsContact O-CB 3.32Å; H214-S217 WeakPolarHBondContact O-CB 3.39Å; H214-S217 PolarHBondContact O-N 3.47Å; H214-E218 IonicContact CE1-OE1 3.73Å; H214-E218 IonicContact NE2-OE1 3.54Å; H214-E218 PolarHBondContact NE2-OE1 2.78Å; H214-E218 PolarHBondContact O-N 3.26Å
215G96.7Very high96Very high30 Ų3058.1 Ų58.131%0.30932%0.317SS..Hα-helixtrans-60.9-37.1178.300000113.7E211 L212 S217 E218 L219E211-G215 PolarHBondContact O-N 3Å; L212-G215 PolarHBondContact O-N 3.27Å; G215-S217 VanDerWaalsContact C-N 3.31Å; G215-S217 PolarHBondContact O-N 3.19Å; G215-E218 PolarHBondContact O-N 3.14Å; G215-L219 PolarHBondContact O-N 3.09Å
216L97.1Very high96Very high8 Ų858.1 Ų58.14%0.04232%0.317CS..Hα-helixtrans-68-32.4173.4-65.8178.2000112.2L205 L212 H214 L220 Y266 V267 Y270L205-L216 HydrophobicContact CD2-CD1 3.62Å; L212-L216 HydrophobicContact CD1-CD1 4.46Å; L212-L216 HydrophobicContact CD1-CG 4.3Å; L212-L216 HydrophobicContact CG-CD1 4.25Å; L212-L216 HydrophobicContact CG-CG 4.48Å; L212-L216 WeakPolarHBondContact O-CG 3.1Å; L212-L216 PolarHBondContact O-N 2.82Å; H214-L216 VanDerWaalsContact C-N 3.32Å; H214-L216 PolarHBondContact O-N 3.33Å; L216-L220 WeakPolarHBondContact O-CG 3.15Å; L216-L220 PolarHBondContact O-N 3.08Å; L216-L220 VanDerWaalsContact O-N 3.16Å; L216-Y266 HydrophobicContact CD2-CE1 4.08Å; L216-V267 HydrophobicContact CB-CG1 4.2Å; L216-V267 HydrophobicContact CB-CG2 4.28Å; L216-V267 HydrophobicContact CD1-CG1 4.45Å; L216-V267 HydrophobicContact CD2-CG2 4.19Å; L216-Y270 HydrophobicContact CD1-CD1 4.28Å; L216-Y270 HydrophobicContact CD2-CD1 3.82Å; L216-Y270 HydrophobicContact CD2-CE1 4.28Å
217S97.1Very high95.9Very high50 Ų5059.6 Ų59.635%0.3532%0.319SS..Hα-helixtrans-69.8-41.6174.7-58.90000111.3A213 H214 G215 L219 L220 S221A213-S217 WeakPolarHBondContact O-CB 3.48Å; A213-S217 PolarHBondContact O-N 3.5Å; A213-S217 PolarHBondContact O-OG 2.77Å; H214-S217 CarbonylContact O-C 3.46Å; H214-S217 WeakPolarHBondContact O-CA 3.18Å; H214-S217 VanDerWaalsContact O-CB 3.32Å; H214-S217 WeakPolarHBondContact O-CB 3.39Å; H214-S217 PolarHBondContact O-N 3.47Å; G215-S217 VanDerWaalsContact C-N 3.31Å; G215-S217 PolarHBondContact O-N 3.19Å; S217-L219 VanDerWaalsContact C-N 3.35Å; S217-L219 PolarHBondContact O-N 2.86Å; S217-L220 WeakPolarHBondContact O-CB 3.41Å; S217-L220 PolarHBondContact O-N 3.47Å; S217-L220 VanDerWaalsContact O-N 3.12Å; S217-S221 PolarHBondContact O-N 3.34Å; S217-S221 PolarHBondContact O-OG 3.46Å; S217-S221 VanDerWaalsContact O-OG 3.12Å
218E96.8Very high95.9Very high99 Ų9960 Ų6046%0.46332%0.321SS..Hα-helixtrans-59.5-44.9173.5-69.4-173.4137.100111.5H214 G215 L220 S221 H222H214-E218 IonicContact CE1-OE1 3.73Å; H214-E218 IonicContact NE2-OE1 3.54Å; H214-E218 PolarHBondContact NE2-OE1 2.78Å; H214-E218 PolarHBondContact O-N 3.26Å; G215-E218 PolarHBondContact O-N 3.14Å; E218-L220 VanDerWaalsContact C-N 3.26Å; E218-L220 PolarHBondContact O-N 3.4Å; E218-S221 CarbonylContact O-C 3.52Å; E218-S221 PolarHBondContact O-N 2.84Å; E218-S221 VanDerWaalsContact O-N 3.15Å; E218-S221 PolarHBondContact O-OG 3.21Å; E218-H222 WeakPolarHBondContact O-CB 3.25Å; E218-H222 PolarHBondContact O-N 3.15Å
219L96.8Very high95.9Very high6 Ų664.2 Ų64.23%0.03134%0.343CS..Hα-helixtrans-55.7-41.6173.7178.167.3000111.9G215 S217 V226 F230 V258 R263 Y266 V267G215-L219 PolarHBondContact O-N 3.09Å; S217-L219 VanDerWaalsContact C-N 3.35Å; S217-L219 PolarHBondContact O-N 2.86Å; L219-V226 HydrophobicContact CD1-CG1 3.53Å; L219-V226 HydrophobicContact CD1-CG2 4.45Å; L219-F230 HydrophobicContact CB-CE1 4.22Å; L219-F230 HydrophobicContact CB-CZ 4.4Å; L219-F230 HydrophobicContact CD1-CD1 3.84Å; L219-F230 HydrophobicContact CD1-CD2 3.91Å; L219-F230 HydrophobicContact CD1-CE1 3.93Å; L219-F230 HydrophobicContact CD1-CE2 4.01Å; L219-F230 HydrophobicContact CD1-CG 3.82Å; L219-F230 HydrophobicContact CD1-CZ 4.02Å; L219-V258 HydrophobicContact CD2-CG1 4.45Å; L219-R263 HydrophobicContact CG-CB 4.46Å; L219-R263 VanDerWaalsContact O-CD 3.31Å; L219-R263 WeakPolarHBondContact O-CD 3.08Å; L219-R263 PolarHBondContact O-NH1 3.44Å; L219-Y266 HydrophobicContact CD2-CD1 3.61Å; L219-Y266 HydrophobicContact CD2-CE1 3.83Å; L219-V267 HydrophobicContact CD2-CG2 3.98Å
220L96.6Very high95.8Very high54 Ų5465.8 Ų65.828%0.28335%0.349SS..Hα-helixtrans-69.6-33.2178.6-72.8174000113.5V202 L216 S217 E218 R263 K264 V267V202-L220 HydrophobicContact CG2-CD1 4.43Å; L216-L220 WeakPolarHBondContact O-CG 3.15Å; L216-L220 PolarHBondContact O-N 3.08Å; L216-L220 VanDerWaalsContact O-N 3.16Å; S217-L220 WeakPolarHBondContact O-CB 3.41Å; S217-L220 PolarHBondContact O-N 3.47Å; S217-L220 VanDerWaalsContact O-N 3.12Å; E218-L220 VanDerWaalsContact C-N 3.26Å; E218-L220 PolarHBondContact O-N 3.4Å; L220-R263 HydrophobicContact CD2-CG 4.44Å; L220-R263 PolarHBondContact O-NE 2.9Å; L220-R263 PolarHBondContact O-NH1 3.4Å; L220-R263 PolarHBondContact O-NH2 2.98Å; L220-K264 HydrophobicContact CD2-CG 3.94Å; L220-V267 HydrophobicContact CD1-CG1 4.04Å; L220-V267 HydrophobicContact CD1-CG2 4.44Å; L220-V267 HydrophobicContact CD2-CB 4.22Å; L220-V267 HydrophobicContact CD2-CG2 3.92Å; L220-V267 HydrophobicContact CG-CB 4.45Å; L220-V267 HydrophobicContact CG-CG1 4.45Å; L220-V267 HydrophobicContact CG-CG2 3.96Å
221S96.4Very high95.7Very high84 Ų8473 Ų7359%0.58737%0.372SS*.Hα-helixtrans-92.4-8.2-179.556.40000113.9S217 E218 E223S217-S221 PolarHBondContact O-N 3.34Å; S217-S221 PolarHBondContact O-OG 3.46Å; S217-S221 VanDerWaalsContact O-OG 3.12Å; E218-S221 CarbonylContact O-C 3.52Å; E218-S221 PolarHBondContact O-N 2.84Å; E218-S221 VanDerWaalsContact O-N 3.15Å; E218-S221 PolarHBondContact O-OG 3.21Å; S221-E223 PolarHBondContact O-N 2.95Å
222H96.3Very high95.7Very high54 Ų5467.5 Ų67.525%0.2535%0.351CS..  trans-56.3131.7-176.1-168.961.1000112.8E218 G224 V226 D229 F230 R263E218-H222 WeakPolarHBondContact O-CB 3.25Å; E218-H222 PolarHBondContact O-N 3.15Å; H222-G224 PolarHBondContact CD2-N 3.2Å; H222-G224 WeakPolarHBondContact NE2-CA 3.48Å; H222-G224 PolarHBondContact NE2-N 2.78Å; H222-V226 HydrophobicContact CB-CG2 4.32Å; H222-D229 IonicContact CD2-OD2 2.7Å; H222-D229 IonicContact CE1-OD2 3.67Å; H222-D229 IonicContact NE2-OD2 3.09Å; H222-D229 PolarHBondContact NE2-OD2 2.9Å; H222-F230 HydrophobicContact CB-CE2 4.07Å; H222-F230 HydrophobicContact CB-CZ 4.37Å; H222-F230 AromaticContact CD2-CE2 3.68Å; H222-F230 AromaticContact CG-CE2 3.69Å; H222-F230 AromaticContact NE2-CE2 3.99Å; H222-R263 PolarHBondContact O-NH1 3.18Å
223E95.3Very high95.8Very high193 Ų19367 Ų6790%0.90235%0.35SS*.  trans-93-20.5-179-63-172.6169.400112.9S221S221-E223 PolarHBondContact O-N 2.95Å
224G95.1Very high95.9Very high32 Ų3266.9 Ų66.933%0.3335%0.349SS..SBendtrans-80.5-163.2-179.600000114.6H222 V226 N260H222-G224 PolarHBondContact CD2-N 3.2Å; H222-G224 WeakPolarHBondContact NE2-CA 3.48Å; H222-G224 PolarHBondContact NE2-N 2.78Å; G224-V226 PolarHBondContact O-N 2.78Å; G224-N260 PolarHBondContact O-ND2 3.39Å
225N95.6Very high95.9Very high58 Ų5863.5 Ų63.531%0.3133%0.334SS..  trans-85.3103179-175.5-19.7000109.6E227 E228 D229N225-E227 PolarHBondContact O-N 2.98Å; N225-E227 PolarHBondContact OD1-N 2.82Å; N225-E227 VanDerWaalsContact OD1-N 3.1Å; N225-E228 HydrophobicContact CB-CB 4.16Å; N225-E228 WeakPolarHBondContact ND2-CG 3.27Å; N225-E228 PolarHBondContact ND2-OE1 3Å; N225-E228 PolarHBondContact ND2-OE2 3.44Å; N225-E228 PolarHBondContact O-N 2.88Å; N225-E228 PolarHBondContact OD1-N 3.21Å; N225-D229 PolarHBondContact N-OD2 2.93Å; N225-D229 VanDerWaalsContact N-OD2 3.09Å; N225-D229 VanDerWaalsContact O-CB 3.23Å; N225-D229 WeakPolarHBondContact O-CB 3.44Å; N225-D229 PolarHBondContact O-N 2.97Å; N225-D229 VanDerWaalsContact O-OD2 3.06Å
226V96.3Very high95.9Very high0 Ų062.2 Ų62.20%032%0.32CS..Hα-helixtrans-59.1-35.9-175.4169.90000112.5L219 H222 G224 F230 V258 N260L219-V226 HydrophobicContact CD1-CG1 3.53Å; L219-V226 HydrophobicContact CD1-CG2 4.45Å; H222-V226 HydrophobicContact CB-CG2 4.32Å; G224-V226 PolarHBondContact O-N 2.78Å; V226-F230 HydrophobicContact CG1-CD2 4.25Å; V226-F230 WeakPolarHBondContact O-CB 3.47Å; V226-F230 PolarHBondContact O-N 3.47Å; V226-F230 VanDerWaalsContact O-N 3.11Å; V226-V258 HydrophobicContact CG1-CG1 3.95Å; V226-N260 PolarHBondContact N-OD1 3.4Å
227E95.1Very high95.6Very high84 Ų8467.5 Ų67.539%0.39334%0.343SS..Hα-helixtrans-68.9-43.8-178-177.2165.7-161.100111.7N225 Y231 S257 V258 T259N225-E227 PolarHBondContact O-N 2.98Å; N225-E227 PolarHBondContact OD1-N 2.82Å; N225-E227 VanDerWaalsContact OD1-N 3.1Å; E227-Y231 PolarHBondContact O-N 3.42Å; E227-S257 WeakPolarHBondContact OE1-CB 3.36Å; E227-S257 PolarHBondContact OE1-OG 3.29Å; E227-V258 VanDerWaalsContact CA-O 3.3Å; E227-V258 WeakPolarHBondContact CA-O 3.39Å; E227-T259 HydrophobicContact CB-CG2 4.26Å
228E94.4Very high95.2Very high115 Ų11566.2 Ų66.254%0.53733%0.331SS..Hα-helixtrans-81.6-22.7-179-67.7173.917400113.5N225 Y231N225-E228 HydrophobicContact CB-CB 4.16Å; N225-E228 WeakPolarHBondContact ND2-CG 3.27Å; N225-E228 PolarHBondContact ND2-OE1 3Å; N225-E228 PolarHBondContact ND2-OE2 3.44Å; N225-E228 PolarHBondContact O-N 2.88Å; N225-E228 PolarHBondContact OD1-N 3.21Å; E228-Y231 WeakPolarHBondContact O-CE2 3.46Å; E228-Y231 PolarHBondContact O-OH 3.49Å
229D94.2Very high94.6Very high88 Ų8868 Ų6847%0.47134%0.34SS..Hα-helixtrans-92.1-36-177-64.9-31.6000111.8H222 N225H222-D229 IonicContact CD2-OD2 2.7Å; H222-D229 IonicContact CE1-OD2 3.67Å; H222-D229 IonicContact NE2-OD2 3.09Å; H222-D229 PolarHBondContact NE2-OD2 2.9Å; N225-D229 PolarHBondContact N-OD2 2.93Å; N225-D229 VanDerWaalsContact N-OD2 3.09Å; N225-D229 VanDerWaalsContact O-CB 3.23Å; N225-D229 WeakPolarHBondContact O-CB 3.44Å; N225-D229 PolarHBondContact O-N 2.97Å; N225-D229 VanDerWaalsContact O-OD2 3.06Å
230F93.1Very high93.8Very high69 Ų6968 Ų6830%0.30334%0.339SS..Hα-helixtrans-104.2-19.3-174.8-69.8-101.3000114.4L219 H222 V226 S232L219-F230 HydrophobicContact CB-CE1 4.22Å; L219-F230 HydrophobicContact CB-CZ 4.4Å; L219-F230 HydrophobicContact CD1-CD1 3.84Å; L219-F230 HydrophobicContact CD1-CD2 3.91Å; L219-F230 HydrophobicContact CD1-CE1 3.93Å; L219-F230 HydrophobicContact CD1-CE2 4.01Å; L219-F230 HydrophobicContact CD1-CG 3.82Å; L219-F230 HydrophobicContact CD1-CZ 4.02Å; H222-F230 HydrophobicContact CB-CE2 4.07Å; H222-F230 HydrophobicContact CB-CZ 4.37Å; H222-F230 AromaticContact CD2-CE2 3.68Å; H222-F230 AromaticContact CG-CE2 3.69Å; H222-F230 AromaticContact NE2-CE2 3.99Å; V226-F230 HydrophobicContact CG1-CD2 4.25Å; V226-F230 WeakPolarHBondContact O-CB 3.47Å; V226-F230 PolarHBondContact O-N 3.47Å; V226-F230 VanDerWaalsContact O-N 3.11Å; F230-S232 PolarHBondContact O-N 3.44Å; F230-S232 PolarHBondContact O-OG 3.16Å; F230-S232 VanDerWaalsContact O-OG 3.08Å
231Y93.7Very high92.8Very high189 Ų18973 Ų7374%0.74136%0.359SS*.  trans44.635-177.3-63.6-81.2000114.4E227 E228E227-Y231 PolarHBondContact O-N 3.42Å; E228-Y231 WeakPolarHBondContact O-CE2 3.46Å; E228-Y231 PolarHBondContact O-OH 3.49Å
232S94.7Very high92.1Very high37 Ų3771.8 Ų71.826%0.25936%0.36SS..  trans-96150.4-175.4-67.20000111F230 V258F230-S232 PolarHBondContact O-N 3.44Å; F230-S232 PolarHBondContact O-OG 3.16Å; F230-S232 VanDerWaalsContact O-OG 3.08Å; S232-V258 PolarHBondContact O-N 3.24Å
233T97.6Very high91.6Very high40 Ų4074.4 Ų74.425%0.24538%0.375CS..BIsolated β-bridgetrans-119.5174.2172.3660000110.2Q235 G253 I256 Y266T233-Q235 PolarHBondContact O-N 2.91Å; T233-Q235 PolarHBondContact OG1-N 3.45Å; T233-G253 WeakPolarHBondContact CB-O 3.34Å; T233-I256 CarbonylContact C-O 3.47Å; T233-I256 WeakPolarHBondContact CA-O 3.26Å; T233-I256 WeakPolarHBondContact CB-O 3.47Å; T233-Y266 WeakPolarHBondContact O-CE2 3.2Å
234F98.2Very high91.3Very high0 Ų071 Ų710%036%0.362CS..SBendtrans-74.424172.3-80-107.7000113.2L249 K250 G253 I256 V258 N262 E265 Y266 L269F234-L249 HydrophobicContact CB-CB 4.49Å; F234-L249 HydrophobicContact CD1-CB 4.41Å; F234-L249 WeakPolarHBondContact O-CB 3.25Å; F234-L249 PolarHBondContact O-N 3.21Å; F234-K250 HydrophobicContact CB-CG 4.07Å; F234-K250 HydrophobicContact CD1-CD 3.7Å; F234-K250 HydrophobicContact CD1-CG 3.89Å; F234-K250 HydrophobicContact CE1-CD 3.97Å; F234-K250 VanDerWaalsContact CE1-CE 3.49Å; F234-K250 HydrophobicContact CG-CD 4.16Å; F234-K250 VanDerWaalsContact CG-CE 3.48Å; F234-K250 HydrophobicContact CG-CG 4.15Å; F234-G253 CarbonylContact C-O 3.59Å; F234-G253 WeakPolarHBondContact CA-O 3.25Å; F234-G253 PolarHBondContact N-O 2.83Å; F234-I256 HydrophobicContact CD2-CB 4.15Å; F234-I256 HydrophobicContact CD2-CG2 3.73Å; F234-I256 WeakPolarHBondContact CD2-O 3.39Å; F234-I256 HydrophobicContact CE2-CG2 4.03Å; F234-I256 PolarHBondContact N-O 3.02Å; F234-V258 HydrophobicContact CD2-CG2 4.11Å; F234-V258 HydrophobicContact CE2-CG2 4.15Å; F234-N262 HydrophobicContact CE2-CB 4.35Å; F234-N262 HydrophobicContact CZ-CB 4.12Å; F234-E265 HydrophobicContact CE1-CB 4.34Å; F234-E265 HydrophobicContact CE1-CG 4.1Å; F234-E265 HydrophobicContact CZ-CB 4.36Å; F234-E265 HydrophobicContact CZ-CG 4.48Å; F234-Y266 HydrophobicContact CD1-CD2 4.12Å; F234-Y266 HydrophobicContact CD2-CD2 4.4Å; F234-Y266 HydrophobicContact CE1-CD2 4.38Å; F234-Y266 HydrophobicContact CG-CD2 4.15Å; F234-L269 HydrophobicContact CD1-CD1 4.02Å; F234-L269 HydrophobicContact CE1-CD1 3.97Å
235Q97.6Very high91.2Very high44 Ų4473.2 Ų73.221%0.20636%0.362CS..EExtended strand (participates in β ladder)trans-109.3128.7170-179.2173.282.800109.9T233 F237 Y247 N248 D254T233-Q235 PolarHBondContact O-N 2.91Å; T233-Q235 PolarHBondContact OG1-N 3.45Å; Q235-F237 HydrophobicContact CG-CZ 4.24Å; Q235-Y247 WeakPolarHBondContact CA-O 3.29Å; Q235-N248 WeakPolarHBondContact CB-OD1 3.45Å; Q235-N248 WeakPolarHBondContact CG-OD1 3.49Å; Q235-N248 PolarHBondContact NE2-OD1 3.17Å; Q235-D254 HydrophobicContact CB-CB 4.4Å
236V95.5Very high91.1Very high3 Ų373.5 Ų73.52%0.01837%0.369CS..EExtended strand (participates in β ladder)trans-116.4160.3178-59.60000110.7S246 Y247 L249 Y266 Y270 F273V236-S246 CarbonylContact O-C 3.57Å; V236-S246 WeakPolarHBondContact O-CA 3.32Å; V236-Y247 PolarHBondContact N-O 3.1Å; V236-Y247 PolarHBondContact O-N 2.98Å; V236-L249 HydrophobicContact CG1-CD1 3.73Å; V236-L249 HydrophobicContact CG1-CD2 4.11Å; V236-L249 HydrophobicContact CG1-CG 3.93Å; V236-L249 HydrophobicContact CG2-CD2 3.74Å; V236-L249 HydrophobicContact CG2-CG 4.23Å; V236-Y266 HydrophobicContact CG1-CE2 4.28Å; V236-Y270 HydrophobicContact CB-CD2 4.36Å; V236-Y270 HydrophobicContact CB-CE1 4.49Å; V236-Y270 HydrophobicContact CB-CE2 3.86Å; V236-Y270 HydrophobicContact CG1-CD1 3.89Å; V236-Y270 HydrophobicContact CG1-CD2 3.84Å; V236-Y270 HydrophobicContact CG1-CE1 3.78Å; V236-Y270 HydrophobicContact CG1-CE2 3.73Å; V236-Y270 HydrophobicContact CG1-CG 3.94Å; V236-Y270 HydrophobicContact CG2-CD2 4.33Å; V236-Y270 HydrophobicContact CG2-CE2 4.04Å; V236-F273 HydrophobicContact CG2-CD1 3.75Å; V236-F273 HydrophobicContact CG2-CE1 3.59Å
237F92.3Very high91.1Very high119 Ų11976.1 Ų76.152%0.52238%0.379SS..EExtended strand (participates in β ladder)trans-120.6137.3-175.6-56.8-87000110.4Q235 I244 K245Q235-F237 HydrophobicContact CG-CZ 4.24Å; F237-I244 HydrophobicContact CB-CG2 3.92Å; F237-I244 HydrophobicContact CD1-CG2 4.01Å; F237-I244 HydrophobicContact CG-CG2 4.36Å; F237-K245 CarbonylContact C-O 3.55Å; F237-K245 VanDerWaalsContact CA-O 3.31Å; F237-K245 WeakPolarHBondContact CA-O 3.23Å
238Q87.1Confident91.2Very high22 Ų2275.5 Ų75.510%0.10338%0.378CS..EExtended strand (participates in β ladder)trans-128.1141.4170.4-70.2-17117.400109.9S143 I244 K245 Y247 F273S143-Q238 PolarHBondContact OG-OE1 3Å; Q238-I244 WeakPolarHBondContact O-CA 3.25Å; Q238-K245 PolarHBondContact N-O 3.14Å; Q238-K245 PolarHBondContact O-N 3.49Å; Q238-Y247 HydrophobicContact CB-CD2 4.45Å; Q238-Y247 HydrophobicContact CB-CE2 4.12Å; Q238-Y247 HydrophobicContact CG-CD2 4.47Å; Q238-Y247 HydrophobicContact CG-CE2 4.48Å; Q238-F273 HydrophobicContact CG-CE1 4.33Å
239E83.9Confident91.3Very high138 Ų13870.8 Ų70.865%0.64536%0.357SS*.EExtended strand (participates in β ladder)trans-86.9123.4171.6-171.9178.4176.500110.1G242E239-G242 WeakPolarHBondContact OE1-CA 3.41Å
240E81.1Confident91.5Very high4 Ų468.7 Ų68.72%0.01934%0.343CS..EExtended strand (participates in β ladder)trans-126.4111.9176.1-60.3-178.7-15700110.1F144 G242 I243 K245 Y247F144-E240 HydrophobicContact CD1-CB 3.84Å; F144-E240 HydrophobicContact CD1-CG 3.78Å; F144-E240 HydrophobicContact CE1-CB 3.92Å; F144-E240 HydrophobicContact CE1-CG 3.98Å; E240-G242 VanDerWaalsContact C-N 3.29Å; E240-G242 PolarHBondContact O-N 3.43Å; E240-I243 PolarHBondContact N-O 2.98Å; E240-I243 WeakPolarHBondContact O-CB 3.04Å; E240-I243 PolarHBondContact O-N 2.99Å; E240-K245 HydrophobicContact CG-CD 4.43Å; E240-K245 WeakPolarHBondContact OE2-CD 3.5Å; E240-K245 WeakPolarHBondContact OE2-CE 3.48Å; E240-K245 IonicContact OE2-NZ 2.68Å; E240-K245 PolarHBondContact OE2-NZ 2.87Å; E240-Y247 PolarHBondContact OE1-OH 3.37Å
241F75.8Confident91.7Very high160 Ų16071.3 Ų71.370%0.70237%0.368SS*.THydrogen-bonded Turntrans51.143.4-176.5-60.1-77.8000113.7F144 I243F144-F241 HydrophobicContact CB-CE2 3.79Å; F144-F241 HydrophobicContact CB-CZ 4.22Å; F144-F241 HydrophobicContact CD1-CD2 4.47Å; F144-F241 HydrophobicContact CD1-CE2 4.28Å; F144-F241 HydrophobicContact CD2-CD2 4.21Å; F144-F241 AromaticContact CD2-CE1 3.93Å; F144-F241 HydrophobicContact CD2-CE1 3.93Å; F144-F241 AromaticContact CD2-CE2 3.52Å; F144-F241 HydrophobicContact CD2-CE2 3.52Å; F144-F241 AromaticContact CD2-CZ 3.35Å; F144-F241 HydrophobicContact CD2-CZ 3.35Å; F144-F241 HydrophobicContact CE2-CD1 4.4Å; F144-F241 HydrophobicContact CE2-CE1 4.04Å; F144-F241 HydrophobicContact CE2-CE2 4.19Å; F144-F241 AromaticContact CE2-CZ 3.94Å; F144-F241 HydrophobicContact CE2-CZ 3.94Å; F144-F241 HydrophobicContact CG-CD2 4.19Å; F144-F241 AromaticContact CG-CE2 3.58Å; F144-F241 HydrophobicContact CG-CE2 3.58Å; F144-F241 AromaticContact CG-CZ 3.92Å; F144-F241 HydrophobicContact CG-CZ 3.92Å; F241-I243 PolarHBondContact O-N 3.4Å
242G81Confident91.8Very high59 Ų5964 Ų6461%0.60835%0.349SS*.THydrogen-bonded Turntrans77.93-177.800000114.8E239 E240E239-G242 WeakPolarHBondContact OE1-CA 3.41Å; E240-G242 VanDerWaalsContact C-N 3.29Å; E240-G242 PolarHBondContact O-N 3.43Å
243I86.1Confident91.9Very high108 Ų10862.2 Ų62.255%0.55434%0.337SS*.EExtended strand (participates in β ladder)trans-109.3120.2178.5-56.4172.5000109.3E240 F241 K245E240-I243 PolarHBondContact N-O 2.98Å; E240-I243 WeakPolarHBondContact O-CB 3.04Å; E240-I243 PolarHBondContact O-N 2.99Å; F241-I243 PolarHBondContact O-N 3.4Å; I243-K245 PolarHBondContact O-N 3.11Å
244I90.1Very high91.9Very high123 Ų12363.4 Ų63.463%0.63134%0.342SS*.EExtended strand (participates in β ladder)trans-76.2120.8174.3-60.7170.3000109.2F237 Q238F237-I244 HydrophobicContact CB-CG2 3.92Å; F237-I244 HydrophobicContact CD1-CG2 4.01Å; F237-I244 HydrophobicContact CG-CG2 4.36Å; Q238-I244 WeakPolarHBondContact O-CA 3.25Å
245K91.1Very high91.8Very high77 Ų7771.7 Ų71.734%0.33538%0.378SS..EExtended strand (participates in β ladder)trans-111.2141.5174.5-67.7-175.8-172.2165.10110.7F237 Q238 E240 I243 Y247F237-K245 CarbonylContact C-O 3.55Å; F237-K245 VanDerWaalsContact CA-O 3.31Å; F237-K245 WeakPolarHBondContact CA-O 3.23Å; Q238-K245 PolarHBondContact N-O 3.14Å; Q238-K245 PolarHBondContact O-N 3.49Å; E240-K245 HydrophobicContact CG-CD 4.43Å; E240-K245 WeakPolarHBondContact OE2-CD 3.5Å; E240-K245 WeakPolarHBondContact OE2-CE 3.48Å; E240-K245 IonicContact OE2-NZ 2.68Å; E240-K245 PolarHBondContact OE2-NZ 2.87Å; I243-K245 PolarHBondContact O-N 3.11Å; K245-Y247 HydrophobicContact CB-CE2 3.76Å
246S94.4Very high91.8Very high65 Ų6572.1 Ų72.146%0.45538%0.381SS..EExtended strand (participates in β ladder)trans-98.4143.1176.3620000112V236V236-S246 CarbonylContact O-C 3.57Å; V236-S246 WeakPolarHBondContact O-CA 3.32Å
247Y95.3Very high91.9Very high55 Ų5574 Ų7422%0.21639%0.394CS..EExtended strand (participates in β ladder)trans-134.8118.6-177.1-68.3-81000110Q235 V236 Q238 E240 K245 L249 F273Q235-Y247 WeakPolarHBondContact CA-O 3.29Å; V236-Y247 PolarHBondContact N-O 3.1Å; V236-Y247 PolarHBondContact O-N 2.98Å; Q238-Y247 HydrophobicContact CB-CD2 4.45Å; Q238-Y247 HydrophobicContact CB-CE2 4.12Å; Q238-Y247 HydrophobicContact CG-CD2 4.47Å; Q238-Y247 HydrophobicContact CG-CE2 4.48Å; E240-Y247 PolarHBondContact OE1-OH 3.37Å; K245-Y247 HydrophobicContact CB-CE2 3.76Å; Y247-L249 PolarHBondContact O-N 2.8Å; Y247-F273 HydrophobicContact CD1-CE2 4.06Å; Y247-F273 AromaticContact CD1-CZ 3.84Å; Y247-F273 HydrophobicContact CD1-CZ 3.84Å; Y247-F273 HydrophobicContact CD2-CE1 4.3Å; Y247-F273 AromaticContact CD2-CZ 3.71Å; Y247-F273 HydrophobicContact CD2-CZ 3.71Å; Y247-F273 HydrophobicContact CE1-CZ 4.45Å; Y247-F273 HydrophobicContact CE2-CZ 4.31Å; Y247-F273 HydrophobicContact CG-CE1 4.22Å; Y247-F273 HydrophobicContact CG-CE2 4.05Å; Y247-F273 AromaticContact CG-CZ 3.43Å; Y247-F273 HydrophobicContact CG-CZ 3.43Å; Y247-F273 VanDerWaalsContact CG-CZ 3.43Å
248N97.5Very high92.2Very high70 Ų7068.3 Ų68.337%0.37437%0.369SS..EExtended strand (participates in β ladder)trans-78.5117.1173.5-76.3-2.9000109.5Q235 K250 D254Q235-N248 WeakPolarHBondContact CB-OD1 3.45Å; Q235-N248 WeakPolarHBondContact CG-OD1 3.49Å; Q235-N248 PolarHBondContact NE2-OD1 3.17Å; N248-K250 WeakPolarHBondContact CB-O 3.45Å; N248-K250 PolarHBondContact O-N 3.25Å; N248-D254 PolarHBondContact ND2-OD1 3.13Å; N248-D254 PolarHBondContact OD1-N 3.19Å
249L97.4Very high92.7Very high17 Ų1768.4 Ų68.49%0.08937%0.371CS..SBendtrans-66.5-26.4179.2-64.8-178.6000112.7F234 V236 Y247 Y266 L269 Y270 F273F234-L249 HydrophobicContact CB-CB 4.49Å; F234-L249 HydrophobicContact CD1-CB 4.41Å; F234-L249 WeakPolarHBondContact O-CB 3.25Å; F234-L249 PolarHBondContact O-N 3.21Å; V236-L249 HydrophobicContact CG1-CD1 3.73Å; V236-L249 HydrophobicContact CG1-CD2 4.11Å; V236-L249 HydrophobicContact CG1-CG 3.93Å; V236-L249 HydrophobicContact CG2-CD2 3.74Å; V236-L249 HydrophobicContact CG2-CG 4.23Å; Y247-L249 PolarHBondContact O-N 2.8Å; L249-Y266 HydrophobicContact CD1-CD2 3.8Å; L249-Y266 HydrophobicContact CD1-CE2 3.69Å; L249-L269 HydrophobicContact CB-CB 4.07Å; L249-L269 HydrophobicContact CB-CD1 4.38Å; L249-L269 HydrophobicContact CD1-CB 4.27Å; L249-Y270 HydrophobicContact CD1-CG 4.36Å; L249-F273 HydrophobicContact CD2-CB 3.65Å; L249-F273 HydrophobicContact CD2-CD1 4.01Å; L249-F273 HydrophobicContact CD2-CG 3.88Å
250K97.3Very high93.4Very high43 Ų4364.4 Ų64.419%0.18735%0.354CS..SBendtrans-143.9163.7172.165.7-177.9176.6-174.90110.7F234 N248 G252 G253 I256 E265 L269F234-K250 HydrophobicContact CB-CG 4.07Å; F234-K250 HydrophobicContact CD1-CD 3.7Å; F234-K250 HydrophobicContact CD1-CG 3.89Å; F234-K250 HydrophobicContact CE1-CD 3.97Å; F234-K250 VanDerWaalsContact CE1-CE 3.49Å; F234-K250 HydrophobicContact CG-CD 4.16Å; F234-K250 VanDerWaalsContact CG-CE 3.48Å; F234-K250 HydrophobicContact CG-CG 4.15Å; N248-K250 WeakPolarHBondContact CB-O 3.45Å; N248-K250 PolarHBondContact O-N 3.25Å; K250-G252 PolarHBondContact O-N 2.84Å; K250-G253 WeakPolarHBondContact O-CA 3.5Å; K250-G253 PolarHBondContact O-N 3.42Å; K250-I256 HydrophobicContact CD-CD1 4.3Å; K250-I256 HydrophobicContact CG-CD1 4.23Å; K250-E265 WeakPolarHBondContact CD-OE1 3.38Å; K250-E265 VanDerWaalsContact NZ-CD 3.26Å; K250-E265 IonicContact NZ-OE1 2.96Å; K250-E265 PolarHBondContact NZ-OE1 2.95Å; K250-E265 IonicContact NZ-OE2 2.85Å; K250-E265 PolarHBondContact NZ-OE2 2.68Å; K250-L269 HydrophobicContact CB-CD1 4.18Å; K250-L269 HydrophobicContact CD-CD1 4.29Å
251P97.5Very high94.2Very high125 Ų12572.2 Ų72.281%0.81239%0.391SS*.THydrogen-bonded Turntrans-53.3127.5-179.4-27.236.1000112.2G253P251-G253 VanDerWaalsContact C-N 3.28Å; P251-G253 PolarHBondContact O-N 2.98Å
252G96.6Very high95.2Very high34 Ų3465.9 Ų65.935%0.35136%0.364SS..THydrogen-bonded Turntrans68.321.4-176.700000115.1K250 D254 K255 I256K250-G252 PolarHBondContact O-N 2.84Å; G252-D254 VanDerWaalsContact C-OD1 3.29Å; G252-D254 PolarHBondContact O-N 2.94Å; G252-D254 VanDerWaalsContact O-N 3.08Å; G252-K255 PolarHBondContact O-N 2.9Å; G252-I256 WeakPolarHBondContact O-CG1 3.46Å
253G96.7Very high96Very high0 Ų065.1 Ų65.10%034%0.343CS..G310 helixtrans-55.2-26.7-174.700000115.2T233 F234 K250 P251 K255 I256T233-G253 WeakPolarHBondContact CB-O 3.34Å; F234-G253 CarbonylContact C-O 3.59Å; F234-G253 WeakPolarHBondContact CA-O 3.25Å; F234-G253 PolarHBondContact N-O 2.83Å; K250-G253 WeakPolarHBondContact O-CA 3.5Å; K250-G253 PolarHBondContact O-N 3.42Å; P251-G253 VanDerWaalsContact C-N 3.28Å; P251-G253 PolarHBondContact O-N 2.98Å; G253-K255 PolarHBondContact O-N 3.11Å; G253-I256 PolarHBondContact O-N 3.27Å
254D96.9Very high96.6Very high65 Ų6567.5 Ų67.535%0.34835%0.349SS..G310 helixtrans-61.7-20.9173.555.3-60.9000114.2Q235 N248 G252Q235-D254 HydrophobicContact CB-CB 4.4Å; N248-D254 PolarHBondContact ND2-OD1 3.13Å; N248-D254 PolarHBondContact OD1-N 3.19Å; G252-D254 VanDerWaalsContact C-OD1 3.29Å; G252-D254 PolarHBondContact O-N 2.94Å; G252-D254 VanDerWaalsContact O-N 3.08Å
255K97.1Very high97Very high175 Ų17565.3 Ų65.376%0.76134%0.336SS*.G310 helixtrans-110.30.6-177.8-59.4177-173.81770113.2G252 G253G252-K255 PolarHBondContact O-N 2.9Å; G253-K255 PolarHBondContact O-N 3.11Å
256I97.9Very high97.3Very high53 Ų5362.6 Ų62.627%0.27232%0.324SS..  trans-109.2107.3-175.6-57.2170.5000107.6T233 F234 K250 G252 G253T233-I256 CarbonylContact C-O 3.47Å; T233-I256 WeakPolarHBondContact CA-O 3.26Å; T233-I256 WeakPolarHBondContact CB-O 3.47Å; F234-I256 HydrophobicContact CD2-CB 4.15Å; F234-I256 HydrophobicContact CD2-CG2 3.73Å; F234-I256 WeakPolarHBondContact CD2-O 3.39Å; F234-I256 HydrophobicContact CE2-CG2 4.03Å; F234-I256 PolarHBondContact N-O 3.02Å; K250-I256 HydrophobicContact CD-CD1 4.3Å; K250-I256 HydrophobicContact CG-CD1 4.23Å; G252-I256 WeakPolarHBondContact O-CG1 3.46Å; G253-I256 PolarHBondContact O-N 3.27Å
257S97.7Very high97.5Very high42 Ų4259.8 Ų59.829%0.29430%0.304SS..BIsolated β-bridgetrans-63.7147.4174.4-51.90000111.8E227 N262E227-S257 WeakPolarHBondContact OE1-CB 3.36Å; E227-S257 PolarHBondContact OE1-OG 3.29Å; S257-N262 PolarHBondContact O-ND2 2.87Å
258V98.1Very high97.6Very high0 Ų063.2 Ų63.20%032%0.322CS..  trans-82.1127.1167.5-175.10000108.5L219 V226 E227 S232 F234 N262 R263 Y266L219-V258 HydrophobicContact CD2-CG1 4.45Å; V226-V258 HydrophobicContact CG1-CG1 3.95Å; E227-V258 VanDerWaalsContact CA-O 3.3Å; E227-V258 WeakPolarHBondContact CA-O 3.39Å; S232-V258 PolarHBondContact O-N 3.24Å; F234-V258 HydrophobicContact CD2-CG2 4.11Å; F234-V258 HydrophobicContact CE2-CG2 4.15Å; V258-N262 WeakPolarHBondContact CA-OD1 3.39Å; V258-R263 HydrophobicContact CG1-CB 4.16Å; V258-Y266 HydrophobicContact CG1-CD1 4.31Å; V258-Y266 HydrophobicContact CG1-CG 4.13Å; V258-Y266 HydrophobicContact CG2-CD1 4.24Å; V258-Y266 HydrophobicContact CG2-CD2 3.48Å; V258-Y266 VanDerWaalsContact CG2-CD2 3.48Å; V258-Y266 HydrophobicContact CG2-CE2 3.9Å; V258-Y266 HydrophobicContact CG2-CG 3.68Å
259T97.9Very high97.7Very high23 Ų2361.5 Ų61.514%0.14131%0.313CS..  trans-130.1169.4-176.277.10000110.5E227 Q261 N262 R263E227-T259 HydrophobicContact CB-CG2 4.26Å; T259-Q261 PolarHBondContact O-N 2.69Å; T259-Q261 VanDerWaalsContact O-N 3.13Å; T259-Q261 PolarHBondContact OG1-N 3.35Å; T259-Q261 PolarHBondContact OG1-OE1 2.81Å; T259-N262 PolarHBondContact N-OD1 3.32Å; T259-N262 PolarHBondContact O-N 2.59Å; T259-N262 VanDerWaalsContact O-N 3.16Å; T259-N262 PolarHBondContact O-OD1 3.36Å; T259-R263 WeakPolarHBondContact O-CB 3.42Å; T259-R263 PolarHBondContact O-N 2.88Å
260N97.8Very high97.7Very high54 Ų5462.1 Ų62.129%0.28931%0.314SS..THydrogen-bonded Turntrans-56.4-31176.9-63.672.8000112.9G224 V226G224-N260 PolarHBondContact O-ND2 3.39Å; V226-N260 PolarHBondContact N-OD1 3.4Å
261Q97.6Very high97.7Very high168 Ų16860.2 Ų60.279%0.78531%0.306SS*.THydrogen-bonded Turntrans-77.8-34.5-179.8-67.374.426.800112.8T259T259-Q261 PolarHBondContact O-N 2.69Å; T259-Q261 VanDerWaalsContact O-N 3.13Å; T259-Q261 PolarHBondContact OG1-N 3.35Å; T259-Q261 PolarHBondContact OG1-OE1 2.81Å
262N97.9Very high97.7Very high28 Ų2856 Ų5615%0.1528%0.277CS..THydrogen-bonded Turntrans-107.7-3.7-172.973.923.6000114.3F234 S257 V258 T259 K264 E265 Y266F234-N262 HydrophobicContact CE2-CB 4.35Å; F234-N262 HydrophobicContact CZ-CB 4.12Å; S257-N262 PolarHBondContact O-ND2 2.87Å; V258-N262 WeakPolarHBondContact CA-OD1 3.39Å; T259-N262 PolarHBondContact N-OD1 3.32Å; T259-N262 PolarHBondContact O-N 2.59Å; T259-N262 VanDerWaalsContact O-N 3.16Å; T259-N262 PolarHBondContact O-OD1 3.36Å; N262-K264 PolarHBondContact O-N 2.97Å; N262-K264 VanDerWaalsContact O-N 3.11Å; N262-E265 WeakPolarHBondContact O-CA 3.13Å; N262-E265 VanDerWaalsContact O-CB 3.3Å; N262-E265 WeakPolarHBondContact O-CB 3.4Å; N262-E265 PolarHBondContact O-N 2.84Å; N262-Y266 PolarHBondContact O-N 3.21Å
263R97.6Very high97.7Very high42 Ų4255.4 Ų55.416%0.15827%0.265CS..Hα-helixtrans-53.5-34.9-179.267.4-178.4-175.4-174.5-5.4114.7L219 L220 H222 V258 T259 Y266 V267L219-R263 HydrophobicContact CG-CB 4.46Å; L219-R263 VanDerWaalsContact O-CD 3.31Å; L219-R263 WeakPolarHBondContact O-CD 3.08Å; L219-R263 PolarHBondContact O-NH1 3.44Å; L220-R263 HydrophobicContact CD2-CG 4.44Å; L220-R263 PolarHBondContact O-NE 2.9Å; L220-R263 PolarHBondContact O-NH1 3.4Å; L220-R263 PolarHBondContact O-NH2 2.98Å; H222-R263 PolarHBondContact O-NH1 3.18Å; V258-R263 HydrophobicContact CG1-CB 4.16Å; T259-R263 WeakPolarHBondContact O-CB 3.42Å; T259-R263 PolarHBondContact O-N 2.88Å; R263-Y266 PolarHBondContact O-N 3.03Å; R263-V267 WeakPolarHBondContact O-CG2 3.33Å; R263-V267 PolarHBondContact O-N 3Å
264K97.9Very high97.7Very high158 Ų15856.1 Ų56.169%0.68727%0.268SS*.Hα-helixtrans-65.2-41.1177.2-70-177.3178.6-1800111.5L220 N262 Q268L220-K264 HydrophobicContact CD2-CG 3.94Å; N262-K264 PolarHBondContact O-N 2.97Å; N262-K264 VanDerWaalsContact O-N 3.11Å; K264-Q268 WeakPolarHBondContact O-CB 3.35Å; K264-Q268 PolarHBondContact O-N 3.11Å
265E98.3Very high97.7Very high77 Ų7753 Ų5336%0.3625%0.252SS..Hα-helixtrans-65.2-44.5175-172.6-159.8168.600110.5F234 K250 N262 V267 Q268 L269F234-E265 HydrophobicContact CE1-CB 4.34Å; F234-E265 HydrophobicContact CE1-CG 4.1Å; F234-E265 HydrophobicContact CZ-CB 4.36Å; F234-E265 HydrophobicContact CZ-CG 4.48Å; K250-E265 WeakPolarHBondContact CD-OE1 3.38Å; K250-E265 VanDerWaalsContact NZ-CD 3.26Å; K250-E265 IonicContact NZ-OE1 2.96Å; K250-E265 PolarHBondContact NZ-OE1 2.95Å; K250-E265 IonicContact NZ-OE2 2.85Å; K250-E265 PolarHBondContact NZ-OE2 2.68Å; N262-E265 WeakPolarHBondContact O-CA 3.13Å; N262-E265 VanDerWaalsContact O-CB 3.3Å; N262-E265 WeakPolarHBondContact O-CB 3.4Å; N262-E265 PolarHBondContact O-N 2.84Å; E265-V267 PolarHBondContact O-N 3.22Å; E265-Q268 PolarHBondContact O-N 3.09Å; E265-L269 HydrophobicContact CG-CD1 3.99Å; E265-L269 HydrophobicContact CG-CG 4.35Å; E265-L269 WeakPolarHBondContact O-CB 3.39Å; E265-L269 WeakPolarHBondContact O-CG 3.36Å; E265-L269 PolarHBondContact O-N 3.21Å
266Y98.3Very high97.7Very high21 Ų2144.8 Ų44.88%0.08222%0.216CC..Hα-helixtrans-55.6-52.2176.5174.7-100.6000111.5L216 L219 T233 F234 V236 L249 V258 N262 R263 Q268 L269 Y270L216-Y266 HydrophobicContact CD2-CE1 4.08Å; L219-Y266 HydrophobicContact CD2-CD1 3.61Å; L219-Y266 HydrophobicContact CD2-CE1 3.83Å; T233-Y266 WeakPolarHBondContact O-CE2 3.2Å; F234-Y266 HydrophobicContact CD1-CD2 4.12Å; F234-Y266 HydrophobicContact CD2-CD2 4.4Å; F234-Y266 HydrophobicContact CE1-CD2 4.38Å; F234-Y266 HydrophobicContact CG-CD2 4.15Å; V236-Y266 HydrophobicContact CG1-CE2 4.28Å; L249-Y266 HydrophobicContact CD1-CD2 3.8Å; L249-Y266 HydrophobicContact CD1-CE2 3.69Å; V258-Y266 HydrophobicContact CG1-CD1 4.31Å; V258-Y266 HydrophobicContact CG1-CG 4.13Å; V258-Y266 HydrophobicContact CG2-CD1 4.24Å; V258-Y266 HydrophobicContact CG2-CD2 3.48Å; V258-Y266 VanDerWaalsContact CG2-CD2 3.48Å; V258-Y266 HydrophobicContact CG2-CE2 3.9Å; V258-Y266 HydrophobicContact CG2-CG 3.68Å; N262-Y266 PolarHBondContact O-N 3.21Å; R263-Y266 PolarHBondContact O-N 3.03Å; Y266-Q268 PolarHBondContact O-N 3.08Å; Y266-L269 PolarHBondContact O-N 3.32Å; Y266-Y270 HydrophobicContact CE1-CD1 4.01Å; Y266-Y270 AromaticContact CZ-CD1 3.86Å; Y266-Y270 WeakPolarHBondContact O-CB 3.32Å; Y266-Y270 PolarHBondContact O-N 3.36Å
267V98.1Very high97.5Very high5 Ų547.5 Ų47.53%0.0323%0.226CC..Hα-helixtrans-63.5-40.8-179.51740000111.9V202 L216 L219 L220 R263 E265 Y270 T271V202-V267 HydrophobicContact CG2-CG1 3.4Å; V202-V267 VanDerWaalsContact CG2-CG1 3.4Å; L216-V267 HydrophobicContact CB-CG1 4.2Å; L216-V267 HydrophobicContact CB-CG2 4.28Å; L216-V267 HydrophobicContact CD1-CG1 4.45Å; L216-V267 HydrophobicContact CD2-CG2 4.19Å; L219-V267 HydrophobicContact CD2-CG2 3.98Å; L220-V267 HydrophobicContact CD1-CG1 4.04Å; L220-V267 HydrophobicContact CD1-CG2 4.44Å; L220-V267 HydrophobicContact CD2-CB 4.22Å; L220-V267 HydrophobicContact CD2-CG2 3.92Å; L220-V267 HydrophobicContact CG-CB 4.45Å; L220-V267 HydrophobicContact CG-CG1 4.45Å; L220-V267 HydrophobicContact CG-CG2 3.96Å; R263-V267 WeakPolarHBondContact O-CG2 3.33Å; R263-V267 PolarHBondContact O-N 3Å; E265-V267 PolarHBondContact O-N 3.22Å; V267-Y270 PolarHBondContact O-N 2.85Å; V267-T271 WeakPolarHBondContact O-CB 3.46Å; V267-T271 PolarHBondContact O-N 3.23Å; V267-T271 PolarHBondContact O-OG1 3.12Å
268Q98.1Very high97.3Very high127 Ų12746.6 Ų46.659%0.59322%0.22SC*.Hα-helixtrans-62.6-48176.1-176.1-179.92.900111.6K264 E265 Y266 Y270 T271 D272K264-Q268 WeakPolarHBondContact O-CB 3.35Å; K264-Q268 PolarHBondContact O-N 3.11Å; E265-Q268 PolarHBondContact O-N 3.09Å; Y266-Q268 PolarHBondContact O-N 3.08Å; Q268-Y270 VanDerWaalsContact C-N 3.35Å; Q268-T271 PolarHBondContact O-N 3.21Å; Q268-D272 WeakPolarHBondContact O-CB 3.26Å; Q268-D272 PolarHBondContact O-N 2.88Å
269L98.3Very high97.2Very high35 Ų3546.7 Ų46.718%0.18322%0.22CC..Hα-helixtrans-67.3-36179.9-70.6177.4000112.1F234 L249 K250 E265 Y266 F273F234-L269 HydrophobicContact CD1-CD1 4.02Å; F234-L269 HydrophobicContact CE1-CD1 3.97Å; L249-L269 HydrophobicContact CB-CB 4.07Å; L249-L269 HydrophobicContact CB-CD1 4.38Å; L249-L269 HydrophobicContact CD1-CB 4.27Å; K250-L269 HydrophobicContact CB-CD1 4.18Å; K250-L269 HydrophobicContact CD-CD1 4.29Å; E265-L269 HydrophobicContact CG-CD1 3.99Å; E265-L269 HydrophobicContact CG-CG 4.35Å; E265-L269 WeakPolarHBondContact O-CB 3.39Å; E265-L269 WeakPolarHBondContact O-CG 3.36Å; E265-L269 PolarHBondContact O-N 3.21Å; Y266-L269 PolarHBondContact O-N 3.32Å; L269-F273 WeakPolarHBondContact O-CB 3.43Å; L269-F273 PolarHBondContact O-N 3.27Å
270Y97.9Very high97.1Very high30 Ų3049.4 Ų49.412%0.11823%0.228CC..Hα-helixtrans-68.2-45.1177.5-163.2176.8000110.9L212 L216 V236 L249 Y266 V267 Q268 D272 F273 L274L212-Y270 HydrophobicContact CD1-CE1 4.22Å; L216-Y270 HydrophobicContact CD1-CD1 4.28Å; L216-Y270 HydrophobicContact CD2-CD1 3.82Å; L216-Y270 HydrophobicContact CD2-CE1 4.28Å; V236-Y270 HydrophobicContact CB-CD2 4.36Å; V236-Y270 HydrophobicContact CB-CE1 4.49Å; V236-Y270 HydrophobicContact CB-CE2 3.86Å; V236-Y270 HydrophobicContact CG1-CD1 3.89Å; V236-Y270 HydrophobicContact CG1-CD2 3.84Å; V236-Y270 HydrophobicContact CG1-CE1 3.78Å; V236-Y270 HydrophobicContact CG1-CE2 3.73Å; V236-Y270 HydrophobicContact CG1-CG 3.94Å; V236-Y270 HydrophobicContact CG2-CD2 4.33Å; V236-Y270 HydrophobicContact CG2-CE2 4.04Å; L249-Y270 HydrophobicContact CD1-CG 4.36Å; Y266-Y270 HydrophobicContact CE1-CD1 4.01Å; Y266-Y270 AromaticContact CZ-CD1 3.86Å; Y266-Y270 WeakPolarHBondContact O-CB 3.32Å; Y266-Y270 PolarHBondContact O-N 3.36Å; V267-Y270 PolarHBondContact O-N 2.85Å; Q268-Y270 VanDerWaalsContact C-N 3.35Å; Y270-D272 PolarHBondContact O-N 3.23Å; Y270-F273 HydrophobicContact CD2-CD1 4.34Å; Y270-F273 WeakPolarHBondContact O-CB 3.34Å; Y270-F273 PolarHBondContact O-N 3.01Å; Y270-L274 HydrophobicContact CD2-CD1 3.84Å; Y270-L274 HydrophobicContact CD2-CG 3.92Å; Y270-L274 HydrophobicContact CE2-CD1 3.63Å; Y270-L274 HydrophobicContact CE2-CD2 4.14Å; Y270-L274 HydrophobicContact CE2-CG 3.83Å; Y270-L274 PolarHBondContact O-N 3.02Å
271T97.8Very high96.9Very high3 Ų353 Ų532%0.01824%0.241CC..Hα-helixtrans-60.6-47.5175.5-550000111.3V200 T201 L205 V267 Q268 F273 L274 L275V200-T271 HydrophobicContact CB-CG2 4.09Å; V200-T271 HydrophobicContact CG2-CG2 3.8Å; T201-T271 WeakPolarHBondContact O-CG2 3.25Å; L205-T271 HydrophobicContact CB-CG2 4.33Å; V267-T271 WeakPolarHBondContact O-CB 3.46Å; V267-T271 PolarHBondContact O-N 3.23Å; V267-T271 PolarHBondContact O-OG1 3.12Å; Q268-T271 PolarHBondContact O-N 3.21Å; T271-F273 VanDerWaalsContact C-N 3.31Å; T271-F273 PolarHBondContact O-N 3.48Å; T271-L274 PolarHBondContact O-N 3.08Å; T271-L275 HydrophobicContact CG2-CD1 3.96Å; T271-L275 HydrophobicContact CG2-CG 4.49Å; T271-L275 WeakPolarHBondContact O-CB 3.4Å; T271-L275 PolarHBondContact O-N 3.22Å
272D97.9Very high96.9Very high36 Ų3645.3 Ų45.319%0.19321%0.206CC..Hα-helixtrans-62.9-37.3176.2177.964.2000112.3V200 Q268 Y270 N276 K277V200-D272 HydrophobicContact CG2-CB 4.42Å; Q268-D272 WeakPolarHBondContact O-CB 3.26Å; Q268-D272 PolarHBondContact O-N 2.88Å; Y270-D272 PolarHBondContact O-N 3.23Å; D272-N276 WeakPolarHBondContact O-CA 3.29Å; D272-N276 VanDerWaalsContact O-CB 3.29Å; D272-N276 WeakPolarHBondContact O-CB 3.46Å; D272-N276 PolarHBondContact O-N 2.86Å; D272-N276 WeakPolarHBondContact OD1-CB 3.38Å; D272-N276 PolarHBondContact OD1-ND2 3Å; D272-K277 PolarHBondContact O-N 3.34Å; D272-K277 WeakPolarHBondContact OD2-CD 3.34Å; D272-K277 WeakPolarHBondContact OD2-CE 3.18Å; D272-K277 IonicContact OD2-NZ 2.68Å; D272-K277 PolarHBondContact OD2-NZ 3.1Å
273F96.8Very high96.8Very high22 Ų2244 Ų4410%0.09620%0.199CC..Iπ-helixtrans-60.9-49.3175.4171.2-114.7000111.6V236 Q238 Y247 L249 L269 Y270 T271 K277 S278V236-F273 HydrophobicContact CG2-CD1 3.75Å; V236-F273 HydrophobicContact CG2-CE1 3.59Å; Q238-F273 HydrophobicContact CG-CE1 4.33Å; Y247-F273 HydrophobicContact CD1-CE2 4.06Å; Y247-F273 AromaticContact CD1-CZ 3.84Å; Y247-F273 HydrophobicContact CD1-CZ 3.84Å; Y247-F273 HydrophobicContact CD2-CE1 4.3Å; Y247-F273 AromaticContact CD2-CZ 3.71Å; Y247-F273 HydrophobicContact CD2-CZ 3.71Å; Y247-F273 HydrophobicContact CE1-CZ 4.45Å; Y247-F273 HydrophobicContact CE2-CZ 4.31Å; Y247-F273 HydrophobicContact CG-CE1 4.22Å; Y247-F273 HydrophobicContact CG-CE2 4.05Å; Y247-F273 AromaticContact CG-CZ 3.43Å; Y247-F273 HydrophobicContact CG-CZ 3.43Å; Y247-F273 VanDerWaalsContact CG-CZ 3.43Å; L249-F273 HydrophobicContact CD2-CB 3.65Å; L249-F273 HydrophobicContact CD2-CD1 4.01Å; L249-F273 HydrophobicContact CD2-CG 3.88Å; L269-F273 WeakPolarHBondContact O-CB 3.43Å; L269-F273 PolarHBondContact O-N 3.27Å; Y270-F273 HydrophobicContact CD2-CD1 4.34Å; Y270-F273 WeakPolarHBondContact O-CB 3.34Å; Y270-F273 PolarHBondContact O-N 3.01Å; T271-F273 VanDerWaalsContact C-N 3.31Å; T271-F273 PolarHBondContact O-N 3.48Å; F273-K277 HydrophobicContact CD2-CB 4.18Å; F273-K277 PolarHBondContact O-N 3.44Å; F273-S278 VanDerWaalsContact O-CB 3.23Å; F273-S278 WeakPolarHBondContact O-CB 3.07Å; F273-S278 PolarHBondContact O-N 2.74Å; F273-S278 PolarHBondContact O-OG 2.85Å; F273-S278 VanDerWaalsContact O-OG 3.04Å
274L95.6Very high96.7Very high14 Ų1442.5 Ų42.57%0.07320%0.195CC..Iπ-helixtrans-70.3-40.5-177.6-69.4174.4000113.6L205 M209 L212 Y270 T271 S278L205-L274 HydrophobicContact CD1-CD1 3.97Å; M209-L274 HydrophobicContact CE-CB 4.42Å; M209-L274 HydrophobicContact CE-CD1 4.32Å; M209-L274 HydrophobicContact SD-CD1 4.33Å; L212-L274 HydrophobicContact CD2-CD1 3.49Å; L212-L274 VanDerWaalsContact CD2-CD1 3.49Å; Y270-L274 HydrophobicContact CD2-CD1 3.84Å; Y270-L274 HydrophobicContact CD2-CG 3.92Å; Y270-L274 HydrophobicContact CE2-CD1 3.63Å; Y270-L274 HydrophobicContact CE2-CD2 4.14Å; Y270-L274 HydrophobicContact CE2-CG 3.83Å; Y270-L274 PolarHBondContact O-N 3.02Å; T271-L274 PolarHBondContact O-N 3.08Å; L274-S278 PolarHBondContact O-OG 3.27Å
275L96.6Very high96.6Very high0 Ų035.5 Ų35.50%017%0.166CC..Iπ-helixtrans-97-19.3-170.7-57.7-173.5000113.8W140 K180 V200 D204 L205 I208 T271W140-L275 HydrophobicContact CZ2-CB 4.47Å; W140-L275 HydrophobicContact CZ2-CD2 3.79Å; K180-L275 VanDerWaalsContact CE-O 3.23Å; K180-L275 WeakPolarHBondContact CE-O 3.4Å; K180-L275 PolarHBondContact NZ-O 2.96Å; V200-L275 HydrophobicContact CB-CB 4.34Å; V200-L275 HydrophobicContact CB-CD1 3.99Å; V200-L275 HydrophobicContact CG1-CB 3.94Å; V200-L275 HydrophobicContact CG1-CD1 4.1Å; V200-L275 HydrophobicContact CG2-CB 4.32Å; D204-L275 HydrophobicContact CB-CD1 4.01Å; L205-L275 HydrophobicContact CB-CD1 4.25Å; L205-L275 HydrophobicContact CD1-CD2 4.16Å; L205-L275 HydrophobicContact CD1-CG 4.4Å; I208-L275 HydrophobicContact CD1-CD2 3.44Å; I208-L275 VanDerWaalsContact CD1-CD2 3.44Å; T271-L275 HydrophobicContact CG2-CD1 3.96Å; T271-L275 HydrophobicContact CG2-CG 4.49Å; T271-L275 WeakPolarHBondContact O-CB 3.4Å; T271-L275 PolarHBondContact O-N 3.22Å
276N96.8Very high96.6Very high3 Ų331.8 Ų31.82%0.01615%0.149CC..Iπ-helixtrans-119.1-62.6177.7-66.7-40.7000112.7K180 I197 C198 D272 Y280K180-N276 PolarHBondContact NZ-OD1 3.44Å; I197-N276 HydrophobicContact CG2-CB 4.47Å; C198-N276 PolarHBondContact O-ND2 3.09Å; D272-N276 WeakPolarHBondContact O-CA 3.29Å; D272-N276 VanDerWaalsContact O-CB 3.29Å; D272-N276 WeakPolarHBondContact O-CB 3.46Å; D272-N276 PolarHBondContact O-N 2.86Å; D272-N276 WeakPolarHBondContact OD1-CB 3.38Å; D272-N276 PolarHBondContact OD1-ND2 3Å; N276-Y280 WeakPolarHBondContact O-CA 3.11Å; N276-Y280 WeakPolarHBondContact O-CB 3.24Å; N276-Y280 PolarHBondContact O-N 2.79Å
277K95.3Very high96.5Very high109 Ų10930.8 Ų30.847%0.47415%0.145SC..Iπ-helixtrans-71.9-44.8-164.6-64.4171.7168.3138.60113.8D272 F273 I279 Y280D272-K277 PolarHBondContact O-N 3.34Å; D272-K277 WeakPolarHBondContact OD2-CD 3.34Å; D272-K277 WeakPolarHBondContact OD2-CE 3.18Å; D272-K277 IonicContact OD2-NZ 2.68Å; D272-K277 PolarHBondContact OD2-NZ 3.1Å; F273-K277 HydrophobicContact CD2-CB 4.18Å; F273-K277 PolarHBondContact O-N 3.44Å; K277-I279 PolarHBondContact O-N 3.07Å; K277-Y280 PolarHBondContact O-N 3.09Å
278S93.8Very high96.4Very high24 Ų2433.4 Ų33.417%0.16816%0.155CC..THydrogen-bonded Turntrans-63.2-31.1-174.463.60000112.9F273 L274F273-S278 VanDerWaalsContact O-CB 3.23Å; F273-S278 WeakPolarHBondContact O-CB 3.07Å; F273-S278 PolarHBondContact O-N 2.74Å; F273-S278 PolarHBondContact O-OG 2.85Å; F273-S278 VanDerWaalsContact O-OG 3.04Å; L274-S278 PolarHBondContact O-OG 3.27Å
279I95Very high96.2Very high1 Ų127.3 Ų27.31%0.00513%0.127CC..THydrogen-bonded Turntrans-110.47.8-176.362.4154.9000113.3W140 F141 K277 K281 Q282 F283W140-I279 HydrophobicContact CH2-CD1 4.09Å; W140-I279 HydrophobicContact CZ2-CD1 3.44Å; W140-I279 VanDerWaalsContact CZ2-CD1 3.44Å; F141-I279 HydrophobicContact CB-CB 3.97Å; F141-I279 HydrophobicContact CB-CD1 4Å; F141-I279 HydrophobicContact CB-CG2 3.72Å; F141-I279 HydrophobicContact CD2-CD1 4.09Å; F141-I279 HydrophobicContact CG-CD1 4.14Å; K277-I279 PolarHBondContact O-N 3.07Å; I279-K281 VanDerWaalsContact C-N 3.31Å; I279-K281 PolarHBondContact O-N 2.72Å; I279-Q282 VanDerWaalsContact C-OE1 3.25Å; I279-Q282 PolarHBondContact O-N 2.72Å; I279-Q282 PolarHBondContact O-OE1 3.3Å; I279-F283 HydrophobicContact CD1-CB 4.16Å; I279-F283 HydrophobicContact CD1-CD2 4.11Å; I279-F283 HydrophobicContact CD1-CG 4.46Å; I279-F283 WeakPolarHBondContact O-CB 3.03Å; I279-F283 PolarHBondContact O-N 2.99Å
280Y95.6Very high96.1Very high80 Ų8025.7 Ų25.731%0.31412%0.118SC..Hα-helixtrans-55.5-44-166.6174.7-108.7000112.9P194 V195 I197 N276 K277 F283 A284P194-Y280 WeakPolarHBondContact CA-OH 3.35Å; P194-Y280 HydrophobicContact CB-CE2 4.21Å; P194-Y280 WeakPolarHBondContact CB-OH 3.25Å; V195-Y280 WeakPolarHBondContact O-CE2 3.39Å; I197-Y280 HydrophobicContact CD1-CD2 3.92Å; I197-Y280 HydrophobicContact CD1-CE2 3.71Å; I197-Y280 HydrophobicContact CG1-CD2 3.91Å; I197-Y280 HydrophobicContact CG1-CE2 3.8Å; N276-Y280 WeakPolarHBondContact O-CA 3.11Å; N276-Y280 WeakPolarHBondContact O-CB 3.24Å; N276-Y280 PolarHBondContact O-N 2.79Å; K277-Y280 PolarHBondContact O-N 3.09Å; Y280-F283 PolarHBondContact O-N 3.2Å; Y280-A284 WeakPolarHBondContact O-CB 3.48Å; Y280-A284 PolarHBondContact O-N 3.07Å
281K94.9Very high95.9Very high130 Ų13024.3 Ų24.357%0.56511%0.113SC*.Hα-helixtrans-69.3-42.9-176.8-65.4-176.9177.3-176.60112Y149 I279 A285Y149-K281 HydrophobicContact CD1-CB 4.14Å; Y149-K281 HydrophobicContact CE1-CB 3.59Å; Y149-K281 HydrophobicContact CE1-CD 4.47Å; Y149-K281 HydrophobicContact CE2-CB 4Å; Y149-K281 HydrophobicContact CE2-CD 4.01Å; Y149-K281 WeakPolarHBondContact OH-CD 3.31Å; I279-K281 VanDerWaalsContact C-N 3.31Å; I279-K281 PolarHBondContact O-N 2.72Å; K281-A285 PolarHBondContact O-N 2.88Å; K281-A285 VanDerWaalsContact O-N 3.11Å
282Q95.7Very high95.6Very high7 Ų726.1 Ų26.13%0.03313%0.125CC..Hα-helixtrans-60.9-50.1175.6-61.285.1-25.900109.7F141 S142 F144 Y149 F152 I279 A285 F286F141-Q282 HydrophobicContact CD1-CB 4.11Å; S142-Q282 PolarHBondContact O-NE2 3.46Å; F144-Q282 PolarHBondContact O-NE2 3.04Å; Y149-Q282 HydrophobicContact CD1-CG 4.13Å; Y149-Q282 HydrophobicContact CE1-CG 4.11Å; F152-Q282 WeakPolarHBondContact CB-O 3.34Å; F152-Q282 HydrophobicContact CD1-CB 3.98Å; F152-Q282 HydrophobicContact CD2-CB 3.86Å; F152-Q282 HydrophobicContact CD2-CG 3.92Å; F152-Q282 HydrophobicContact CE1-CB 3.93Å; F152-Q282 HydrophobicContact CE1-CG 4.24Å; F152-Q282 HydrophobicContact CE2-CB 3.8Å; F152-Q282 HydrophobicContact CE2-CG 3.44Å; F152-Q282 VanDerWaalsContact CE2-CG 3.44Å; F152-Q282 HydrophobicContact CG-CB 3.95Å; F152-Q282 HydrophobicContact CG-CG 4.49Å; F152-Q282 HydrophobicContact CZ-CB 3.84Å; F152-Q282 HydrophobicContact CZ-CG 3.62Å; I279-Q282 VanDerWaalsContact C-OE1 3.25Å; I279-Q282 PolarHBondContact O-N 2.72Å; I279-Q282 PolarHBondContact O-OE1 3.3Å; Q282-A285 PolarHBondContact O-N 2.83Å; Q282-F286 PolarHBondContact O-N 3.32Å
283F96.9Very high95.2Very high1 Ų124.4 Ų24.40%0.00412%0.116CC..Hα-helixtrans-67-40.4-179.2-163.9-81.5000112.4F141 K180 L181 I279 Y280 A285 F286 Y287F141-F283 HydrophobicContact CD2-CD2 4.04Å; F141-F283 HydrophobicContact CE1-CD2 4.16Å; F141-F283 AromaticContact CE2-CD2 3.53Å; F141-F283 HydrophobicContact CE2-CD2 3.53Å; F141-F283 AromaticContact CE2-CE2 3.77Å; F141-F283 HydrophobicContact CE2-CE2 3.77Å; F141-F283 AromaticContact CZ-CD2 3.6Å; F141-F283 HydrophobicContact CZ-CD2 3.6Å; F141-F283 AromaticContact CZ-CE2 3.94Å; F141-F283 HydrophobicContact CZ-CE2 3.94Å; K180-F283 HydrophobicContact CB-CD1 4.32Å; K180-F283 HydrophobicContact CB-CE1 3.45Å; K180-F283 VanDerWaalsContact CB-CE1 3.45Å; K180-F283 HydrophobicContact CB-CE2 3.88Å; K180-F283 HydrophobicContact CB-CZ 3.19Å; K180-F283 HydrophobicContact CD-CD2 4.41Å; K180-F283 HydrophobicContact CD-CE2 4.08Å; K180-F283 HydrophobicContact CD-CZ 4.24Å; K180-F283 HydrophobicContact CG-CZ 4.32Å; L181-F283 HydrophobicContact CD2-CZ 4.35Å; L181-F283 HydrophobicContact CG-CZ 4.13Å; I279-F283 HydrophobicContact CD1-CB 4.16Å; I279-F283 HydrophobicContact CD1-CD2 4.11Å; I279-F283 HydrophobicContact CD1-CG 4.46Å; I279-F283 WeakPolarHBondContact O-CB 3.03Å; I279-F283 PolarHBondContact O-N 2.99Å; Y280-F283 PolarHBondContact O-N 3.2Å; F283-A285 VanDerWaalsContact C-N 3.34Å; F283-A285 PolarHBondContact O-N 3.04Å; F283-F286 HydrophobicContact CD2-CD1 4.31Å; F283-F286 HydrophobicContact CE2-CD1 4.02Å; F283-F286 HydrophobicContact CE2-CE1 4.15Å; F283-F286 HydrophobicContact CZ-CD1 4.12Å; F283-F286 HydrophobicContact CZ-CE1 4.23Å; F283-F286 WeakPolarHBondContact O-CB 3.48Å; F283-F286 PolarHBondContact O-N 3.16Å; F283-Y287 WeakPolarHBondContact O-CB 3.44Å; F283-Y287 PolarHBondContact O-N 3.05Å
284A96.1Very high94.6Very high9 Ų923.8 Ų23.87%0.07412%0.115CC..Hα-helixtrans-62-42.3176.900000111.3V195 Y280 F286 Y287 Y288V195-A284 HydrophobicContact CG2-CB 4.22Å; Y280-A284 WeakPolarHBondContact O-CB 3.48Å; Y280-A284 PolarHBondContact O-N 3.07Å; A284-F286 PolarHBondContact O-N 2.84Å; A284-Y287 WeakPolarHBondContact O-CB 3.41Å; A284-Y287 PolarHBondContact O-N 3.28Å; A284-Y288 HydrophobicContact CB-CE2 4.46Å; A284-Y288 WeakPolarHBondContact O-CD2 3.49Å; A284-Y288 PolarHBondContact O-N 2.85Å
285A95.8Very high93.4Very high11 Ų1125.3 Ų25.39%0.09113%0.129CC..Hα-helixtrans-61.7-44.4174.900000112.1Y149 F152 R153 K281 Q282 F283 Y288 G289Y149-A285 WeakPolarHBondContact O-CB 3.36Å; F152-A285 HydrophobicContact CB-CB 4.1Å; R153-A285 VanDerWaalsContact CA-O 3.27Å; R153-A285 WeakPolarHBondContact CA-O 3.28Å; R153-A285 HydrophobicContact CB-CB 4.34Å; R153-A285 WeakPolarHBondContact CB-O 3.35Å; K281-A285 PolarHBondContact O-N 2.88Å; K281-A285 VanDerWaalsContact O-N 3.11Å; Q282-A285 PolarHBondContact O-N 2.83Å; F283-A285 VanDerWaalsContact C-N 3.34Å; F283-A285 PolarHBondContact O-N 3.04Å; A285-Y288 PolarHBondContact O-N 2.96Å; A285-G289 PolarHBondContact O-N 3.1Å
286F96.9Very high92.6Very high0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-59.2-47.1173.2169.1-103.1000112.6F141 F152 V155 G156 M159 F173 L181 Q282 F283 A284 Y288 G289 F290F141-F286 HydrophobicContact CE1-CB 3.91Å; F141-F286 HydrophobicContact CE1-CD1 4.21Å; F141-F286 AromaticContact CE1-CG 3.99Å; F141-F286 HydrophobicContact CE1-CG 3.99Å; F141-F286 HydrophobicContact CZ-CB 4.18Å; F141-F286 AromaticContact CZ-CD1 3.6Å; F141-F286 HydrophobicContact CZ-CD1 3.6Å; F141-F286 HydrophobicContact CZ-CD2 4.28Å; F141-F286 AromaticContact CZ-CE1 3.92Å; F141-F286 HydrophobicContact CZ-CE1 3.92Å; F141-F286 AromaticContact CZ-CG 3.77Å; F141-F286 HydrophobicContact CZ-CG 3.77Å; F141-F286 HydrophobicContact CZ-CZ 4.41Å; F152-F286 HydrophobicContact CB-CB 4.35Å; F152-F286 VanDerWaalsContact O-CA 3.27Å; F152-F286 WeakPolarHBondContact O-CA 3.32Å; V155-F286 HydrophobicContact CB-CD2 4.16Å; V155-F286 HydrophobicContact CB-CE2 4.42Å; V155-F286 HydrophobicContact CG1-CD2 4.1Å; V155-F286 HydrophobicContact CG1-CE2 3.9Å; G156-F286 VanDerWaalsContact CA-CD2 3.49Å; G156-F286 VanDerWaalsContact CA-O 3.32Å; G156-F286 WeakPolarHBondContact CA-O 3.41Å; G156-F286 VanDerWaalsContact N-CD2 3.34Å; M159-F286 HydrophobicContact SD-CE2 3.98Å; M159-F286 HydrophobicContact SD-CZ 3.49Å; M159-F286 WeakPolarHBondContact SD-CZ 3.43Å; F173-F286 HydrophobicContact CE2-CZ 4.24Å; L181-F286 HydrophobicContact CD1-CE1 3.8Å; L181-F286 HydrophobicContact CD1-CZ 4.04Å; L181-F286 HydrophobicContact CD2-CD1 3.85Å; L181-F286 HydrophobicContact CD2-CE1 3.43Å; L181-F286 VanDerWaalsContact CD2-CE1 3.43Å; L181-F286 HydrophobicContact CD2-CZ 4.21Å; L181-F286 HydrophobicContact CG-CD1 4.49Å; L181-F286 HydrophobicContact CG-CE1 3.71Å; L181-F286 HydrophobicContact CG-CZ 4.44Å; Q282-F286 PolarHBondContact O-N 3.32Å; F283-F286 HydrophobicContact CD2-CD1 4.31Å; F283-F286 HydrophobicContact CE2-CD1 4.02Å; F283-F286 HydrophobicContact CE2-CE1 4.15Å; F283-F286 HydrophobicContact CZ-CD1 4.12Å; F283-F286 HydrophobicContact CZ-CE1 4.23Å; F283-F286 WeakPolarHBondContact O-CB 3.48Å; F283-F286 PolarHBondContact O-N 3.16Å; A284-F286 PolarHBondContact O-N 2.84Å; F286-Y288 PolarHBondContact O-N 3.44Å; F286-G289 WeakPolarHBondContact O-CA 3.38Å; F286-G289 PolarHBondContact O-N 3.16Å; F286-G289 VanDerWaalsContact O-N 3.11Å; F286-F290 PolarHBondContact O-N 2.96Å
287Y96.7Very high91.9Very high0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-55.2-51175.2173.6-81.7000111.5L181 P184 I187 V195 F283 A284 G289 F290 H291L181-Y287 VanDerWaalsContact O-CE2 3.24Å; L181-Y287 WeakPolarHBondContact O-CE2 3.42Å; P184-Y287 VanDerWaalsContact O-CE2 3.23Å; P184-Y287 WeakPolarHBondContact O-CE2 3.46Å; P184-Y287 PolarHBondContact O-OH 2.86Å; I187-Y287 HydrophobicContact CG1-CE1 4.11Å; V195-Y287 HydrophobicContact CB-CD1 3.64Å; V195-Y287 HydrophobicContact CB-CD2 4.26Å; V195-Y287 HydrophobicContact CB-CE1 3.52Å; V195-Y287 HydrophobicContact CB-CE2 4.14Å; V195-Y287 HydrophobicContact CB-CG 4.04Å; V195-Y287 HydrophobicContact CG1-CD1 4.16Å; V195-Y287 HydrophobicContact CG1-CE1 3.62Å; V195-Y287 HydrophobicContact CG2-CD1 3.44Å; V195-Y287 VanDerWaalsContact CG2-CD1 3.44Å; V195-Y287 HydrophobicContact CG2-CE1 3.82Å; V195-Y287 HydrophobicContact CG2-CG 3.9Å; F283-Y287 WeakPolarHBondContact O-CB 3.44Å; F283-Y287 PolarHBondContact O-N 3.05Å; A284-Y287 WeakPolarHBondContact O-CB 3.41Å; A284-Y287 PolarHBondContact O-N 3.28Å; Y287-G289 VanDerWaalsContact C-N 3.25Å; Y287-G289 PolarHBondContact O-N 3.33Å; Y287-F290 PolarHBondContact O-N 3.17Å; Y287-H291 AromaticContact CD1-CD2 3.79Å; Y287-H291 AromaticContact CD2-CD2 3.61Å; Y287-H291 AromaticContact CD2-NE2 3.7Å; Y287-H291 AromaticContact CE1-CD2 3.51Å; Y287-H291 AromaticContact CE2-CD2 3.35Å; Y287-H291 WeakPolarHBondContact CE2-CD2 3.5Å; Y287-H291 AromaticContact CE2-NE2 3.15Å; Y287-H291 WeakPolarHBondContact CE2-NE2 3.42Å; Y287-H291 AromaticContact CG-CD2 3.81Å; Y287-H291 AromaticContact CZ-CD2 3.27Å; Y287-H291 AromaticContact CZ-NE2 3.37Å; Y287-H291 PolarHBondContact O-CD2 3.04Å; Y287-H291 VanDerWaalsContact O-CD2 3.26Å; Y287-H291 PolarHBondContact O-N 3.39Å
288Y95.3Very high91.4Very high59 Ų5923.8 Ų23.823%0.23113%0.128CC..Hα-helixtrans-64.9-31.5178.7-71.8-59.3000112.5I187 V195 A284 A285 F286 S292I187-Y288 HydrophobicContact CD1-CD1 4.38Å; I187-Y288 HydrophobicContact CG2-CE1 4.1Å; V195-Y288 HydrophobicContact CG2-CE1 4.4Å; V195-Y288 HydrophobicContact CG2-CE2 3.98Å; A284-Y288 HydrophobicContact CB-CE2 4.46Å; A284-Y288 WeakPolarHBondContact O-CD2 3.49Å; A284-Y288 PolarHBondContact O-N 2.85Å; A285-Y288 PolarHBondContact O-N 2.96Å; F286-Y288 PolarHBondContact O-N 3.44Å; Y288-S292 WeakPolarHBondContact O-CB 3.27Å; Y288-S292 PolarHBondContact O-N 3.17Å
289G95.2Very high91Very high0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-61.5-5317200000111.8R153 A285 F286 Y287 H291 S292R153-G289 WeakPolarHBondContact O-CA 3.36Å; A285-G289 PolarHBondContact O-N 3.1Å; F286-G289 WeakPolarHBondContact O-CA 3.38Å; F286-G289 PolarHBondContact O-N 3.16Å; F286-G289 VanDerWaalsContact O-N 3.11Å; Y287-G289 VanDerWaalsContact C-N 3.25Å; Y287-G289 PolarHBondContact O-N 3.33Å; G289-H291 PolarHBondContact O-N 3Å; G289-S292 PolarHBondContact O-N 3.34Å; G289-S292 PolarHBondContact O-OG 3.31Å
290F95.5Very high90.7Very high1 Ų127.1 Ų27.10%0.00414%0.142CC..Hα-helixtrans-58-50.6179.8178.1-99000112G156 M159 V163 L181 F286 Y287 S292 V293 C294 L299 V307G156-F290 WeakPolarHBondContact O-CA 3.48Å; G156-F290 PolarHBondContact O-N 2.95Å; M159-F290 HydrophobicContact CB-CD2 4.06Å; M159-F290 HydrophobicContact CE-CD2 4.45Å; M159-F290 HydrophobicContact CE-CE2 4.24Å; M159-F290 HydrophobicContact CG-CD2 3.86Å; M159-F290 HydrophobicContact CG-CE2 4.02Å; M159-F290 HydrophobicContact SD-CD2 4.34Å; V163-F290 HydrophobicContact CG2-CE2 4.33Å; L181-F290 HydrophobicContact CD2-CB 3.95Å; L181-F290 HydrophobicContact CD2-CD1 4.02Å; L181-F290 HydrophobicContact CD2-CG 3.99Å; F286-F290 PolarHBondContact O-N 2.96Å; Y287-F290 PolarHBondContact O-N 3.17Å; F290-S292 VanDerWaalsContact C-N 3.28Å; F290-S292 PolarHBondContact O-N 3.22Å; F290-V293 PolarHBondContact O-N 3.1Å; F290-C294 HydrophobicContact CE1-CB 4.16Å; F290-C294 HydrophobicContact CZ-CB 4.17Å; F290-C294 PolarHBondContact O-N 2.91Å; F290-C294 VanDerWaalsContact O-N 3.08Å; F290-L299 HydrophobicContact CE1-CD1 3.8Å; F290-L299 HydrophobicContact CE1-CD2 4.28Å; F290-L299 HydrophobicContact CZ-CD2 4.24Å; F290-V307 HydrophobicContact CZ-CG1 4.25Å
291H93.4Very high90.4Very high1 Ų123.5 Ų23.51%0.00513%0.128CC..Hα-helixtrans-71.1-20.1-178.7-75.4-77.1000113.5L181 P185 I187 Y287 G289 V293 A295L181-H291 PolarHBondContact O-NE2 2.93Å; P185-H291 PolarHBondContact O-CE1 3.39Å; I187-H291 HydrophobicContact CD1-CB 3.5Å; I187-H291 VanDerWaalsContact CD1-CB 3.5Å; I187-H291 HydrophobicContact CG1-CB 3.49Å; I187-H291 VanDerWaalsContact CG1-CB 3.49Å; Y287-H291 AromaticContact CD1-CD2 3.79Å; Y287-H291 AromaticContact CD2-CD2 3.61Å; Y287-H291 AromaticContact CD2-NE2 3.7Å; Y287-H291 AromaticContact CE1-CD2 3.51Å; Y287-H291 AromaticContact CE2-CD2 3.35Å; Y287-H291 WeakPolarHBondContact CE2-CD2 3.5Å; Y287-H291 AromaticContact CE2-NE2 3.15Å; Y287-H291 WeakPolarHBondContact CE2-NE2 3.42Å; Y287-H291 AromaticContact CG-CD2 3.81Å; Y287-H291 AromaticContact CZ-CD2 3.27Å; Y287-H291 AromaticContact CZ-NE2 3.37Å; Y287-H291 PolarHBondContact O-CD2 3.04Å; Y287-H291 VanDerWaalsContact O-CD2 3.26Å; Y287-H291 PolarHBondContact O-N 3.39Å; G289-H291 PolarHBondContact O-N 3Å; H291-V293 PolarHBondContact O-N 3.16Å; H291-A295 WeakPolarHBondContact O-CA 3.15Å; H291-A295 WeakPolarHBondContact O-CB 3.37Å; H291-A295 PolarHBondContact O-N 3.5Å
292S92Very high90.3Very high40 Ų4018 Ų1828%0.2810%0.104SC..Hα-helixtrans-62.1-25.1175.372.80000113.5Y288 G289 F290Y288-S292 WeakPolarHBondContact O-CB 3.27Å; Y288-S292 PolarHBondContact O-N 3.17Å; G289-S292 PolarHBondContact O-N 3.34Å; G289-S292 PolarHBondContact O-OG 3.31Å; F290-S292 VanDerWaalsContact C-N 3.28Å; F290-S292 PolarHBondContact O-N 3.22Å
293V89.4Confident90.1Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-101.3-48.8176.7-169.50000110.3L91 K92 I157 L161 Y164 F290 H291 A295L91-V293 HydrophobicContact CB-CG2 4.34Å; L91-V293 HydrophobicContact CD1-CG2 4.46Å; K92-V293 WeakPolarHBondContact CE-O 3.39Å; I157-V293 HydrophobicContact CG2-CG2 4.06Å; L161-V293 HydrophobicContact CD2-CG1 3.99Å; L161-V293 HydrophobicContact CD2-CG2 4.26Å; L161-V293 HydrophobicContact CG-CG1 4.43Å; L161-V293 HydrophobicContact CG-CG2 4.16Å; Y164-V293 HydrophobicContact CD1-CG1 4.15Å; Y164-V293 HydrophobicContact CD2-CG1 4.28Å; Y164-V293 HydrophobicContact CG-CG1 3.81Å; F290-V293 PolarHBondContact O-N 3.1Å; H291-V293 PolarHBondContact O-N 3.16Å; V293-A295 PolarHBondContact O-N 3.35Å
294C84.1Confident90Very high10 Ų1025.3 Ų25.37%0.06814%0.135CC..Hα-helixtrans-89.712.6-173.1-66.40000115.1G160 F290 S296 L299G160-C294 WeakPolarHBondContact CA-SG 3.35Å; G160-C294 PolarHBondContact O-SG 3.29Å; F290-C294 HydrophobicContact CE1-CB 4.16Å; F290-C294 HydrophobicContact CZ-CB 4.17Å; F290-C294 PolarHBondContact O-N 2.91Å; F290-C294 VanDerWaalsContact O-N 3.08Å; C294-S296 PolarHBondContact O-N 2.75Å; C294-L299 HydrophobicContact CB-CD1 3.8Å; C294-L299 HydrophobicContact CB-CD2 4.3Å; C294-L299 HydrophobicContact CB-CG 4.27Å; C294-L299 WeakPolarHBondContact O-CD1 3.21Å; C294-L299 WeakPolarHBondContact O-CG 3.25Å
295A70.8Confident89.8Confident45 Ų4529.3 Ų29.337%0.37215%0.152SC..  trans-64.578.3175.700000112.2K92 H291 V293K92-A295 PolarHBondContact NZ-O 2.9Å; H291-A295 WeakPolarHBondContact O-CA 3.15Å; H291-A295 WeakPolarHBondContact O-CB 3.37Å; H291-A295 PolarHBondContact O-N 3.5Å; V293-A295 PolarHBondContact O-N 3.35Å
296S79.1Confident89.6Confident14 Ų1428.9 Ų28.910%0.09815%0.149CC..SBendtrans-138.5148.6173.8-179.40000108.8Y4 D37 C294 A298 L299Y4-S296 PolarHBondContact OH-OG 3.02Å; D37-S296 VanDerWaalsContact OD2-CB 3.26Å; D37-S296 WeakPolarHBondContact OD2-CB 3.29Å; D37-S296 PolarHBondContact OD2-OG 3.42Å; C294-S296 PolarHBondContact O-N 2.75Å; S296-A298 PolarHBondContact O-N 3.41Å; S296-A298 PolarHBondContact OG-N 3.45Å; S296-L299 PolarHBondContact O-N 2.91Å; S296-L299 VanDerWaalsContact O-N 3.09Å
297N82.9Confident89.4Confident64 Ų6429 Ų2934%0.34215%0.149SC..G310 helixtrans-59.5-17.6174.1-64.3-10.9000111.8W7 L299 M300W7-N297 HydrophobicContact CH2-CB 3.69Å; W7-N297 WeakPolarHBondContact CH2-O 3.47Å; W7-N297 HydrophobicContact CZ3-CB 3.53Å; N297-L299 PolarHBondContact O-N 3.11Å; N297-M300 HydrophobicContact CB-SD 4.43Å; N297-M300 VanDerWaalsContact O-CB 3.29Å; N297-M300 WeakPolarHBondContact O-CB 3.44Å; N297-M300 PolarHBondContact O-N 3.26Å
298A84.6Confident89.2Confident3 Ų330.4 Ų30.43%0.02516%0.156CC..G310 helixtrans-54.9-33.217300000113.2Y4 I34 S296 M300 L301Y4-A298 HydrophobicContact CE2-CB 4.24Å; Y4-A298 WeakPolarHBondContact OH-CB 3.47Å; Y4-A298 PolarHBondContact OH-N 3.25Å; I34-A298 HydrophobicContact CG1-CB 3.76Å; S296-A298 PolarHBondContact O-N 3.41Å; S296-A298 PolarHBondContact OG-N 3.45Å; A298-M300 PolarHBondContact O-N 3.19Å; A298-L301 WeakPolarHBondContact O-CB 3.41Å; A298-L301 PolarHBondContact O-N 3.42Å; A298-L301 VanDerWaalsContact O-N 3.13Å
299L86.2Confident89Confident6 Ų629.5 Ų29.53%0.03116%0.155CC..G310 helixtrans-63.9-28.1176.9-74.1-175.3000112.7F290 C294 S296 N297 L301 L302F290-L299 HydrophobicContact CE1-CD1 3.8Å; F290-L299 HydrophobicContact CE1-CD2 4.28Å; F290-L299 HydrophobicContact CZ-CD2 4.24Å; C294-L299 HydrophobicContact CB-CD1 3.8Å; C294-L299 HydrophobicContact CB-CD2 4.3Å; C294-L299 HydrophobicContact CB-CG 4.27Å; C294-L299 WeakPolarHBondContact O-CD1 3.21Å; C294-L299 WeakPolarHBondContact O-CG 3.25Å; S296-L299 PolarHBondContact O-N 2.91Å; S296-L299 VanDerWaalsContact O-N 3.09Å; N297-L299 PolarHBondContact O-N 3.11Å; L299-L301 PolarHBondContact O-N 2.99Å; L299-L302 HydrophobicContact CD2-CD1 3.88Å; L299-L302 PolarHBondContact O-N 3.3Å; L299-L302 VanDerWaalsContact O-N 3.11Å
300M87.6Confident88.7Confident89 Ų8930.4 Ų30.444%0.43816%0.16SC..G310 helixtrans-66.6-17.6177.2-58.217964.600112.9W7 P185 I186 N297 A298 L302W7-M300 HydrophobicContact CH2-CB 4.14Å; W7-M300 HydrophobicContact CH2-SD 4.05Å; W7-M300 HydrophobicContact CZ2-SD 4.31Å; P185-M300 HydrophobicContact CG-CG 4.39Å; I186-M300 HydrophobicContact CD1-CG 3.76Å; I186-M300 HydrophobicContact CD1-SD 3.4Å; I186-M300 WeakPolarHBondContact CD1-SD 3.44Å; I186-M300 HydrophobicContact CG1-CG 4.12Å; I186-M300 HydrophobicContact CG1-SD 4.38Å; N297-M300 HydrophobicContact CB-SD 4.43Å; N297-M300 VanDerWaalsContact O-CB 3.29Å; N297-M300 WeakPolarHBondContact O-CB 3.44Å; N297-M300 PolarHBondContact O-N 3.26Å; A298-M300 PolarHBondContact O-N 3.19Å; M300-L302 VanDerWaalsContact C-N 3.27Å
301L89.6Confident88.5Confident3 Ų330.4 Ų30.42%0.01616%0.159CC..G310 helixtrans-80-14.6177.6-54.7178.3000112.1Y4 W7 C19 P22 K30 I33 A298 L299Y4-L301 HydrophobicContact CD2-CD1 4Å; Y4-L301 HydrophobicContact CE2-CD1 4.08Å; W7-L301 HydrophobicContact CH2-CD2 4.19Å; W7-L301 HydrophobicContact CZ2-CD2 4.41Å; W7-L301 HydrophobicContact CZ3-CD2 4.31Å; C19-L301 HydrophobicContact CB-CD2 3.94Å; C19-L301 WeakPolarHBondContact O-CD2 3.35Å; P22-L301 HydrophobicContact CB-CB 4.35Å; P22-L301 HydrophobicContact CB-CD2 4.34Å; P22-L301 WeakPolarHBondContact CB-O 3.14Å; P22-L301 HydrophobicContact CG-CD2 3.91Å; K30-L301 WeakPolarHBondContact CD-O 3.49Å; K30-L301 WeakPolarHBondContact CE-O 3.27Å; K30-L301 PolarHBondContact NZ-O 2.97Å; I33-L301 HydrophobicContact CD1-CD1 4.34Å; I33-L301 HydrophobicContact CG2-CD1 4.06Å; A298-L301 WeakPolarHBondContact O-CB 3.41Å; A298-L301 PolarHBondContact O-N 3.42Å; A298-L301 VanDerWaalsContact O-N 3.13Å; L299-L301 PolarHBondContact O-N 2.99Å
302L91.8Very high88.3Confident14 Ų1430.4 Ų30.47%0.07316%0.159CC..  trans-95143.3-171.5-62.7174.8000112.6K30 I34 L299 M300 E306 V307 L310K30-L302 HydrophobicContact CB-CD2 4.08Å; K30-L302 HydrophobicContact CD-CD2 4.03Å; I34-L302 HydrophobicContact CD1-CD1 3.6Å; I34-L302 HydrophobicContact CD1-CD2 3.7Å; I34-L302 HydrophobicContact CD1-CG 3.84Å; L299-L302 HydrophobicContact CD2-CD1 3.88Å; L299-L302 PolarHBondContact O-N 3.3Å; L299-L302 VanDerWaalsContact O-N 3.11Å; M300-L302 VanDerWaalsContact C-N 3.27Å; L302-E306 WeakPolarHBondContact CA-OE2 3.26Å; L302-E306 HydrophobicContact CB-CB 4.45Å; L302-E306 HydrophobicContact CD2-CB 3.88Å; L302-V307 HydrophobicContact CB-CG2 3.93Å; L302-V307 HydrophobicContact CD1-CG2 3.86Å; L302-L310 HydrophobicContact CD1-CD1 3.51Å; L302-L310 HydrophobicContact CD2-CD1 3.68Å; L302-L310 HydrophobicContact CG-CD1 4.25Å
303R93.3Very high88.2Confident132 Ų13228.5 Ų28.550%0.49815%0.146SC..  trans-89.3159.9161.7-64.1178.2-69.8169.92.9110.5E305 E306 V307R303-E305 VanDerWaalsContact C-N 3.27Å; R303-E305 WeakPolarHBondContact CB-OE2 3.33Å; R303-E305 PolarHBondContact O-N 3.04Å; R303-E306 HydrophobicContact CB-CG 4.11Å; R303-E306 IonicContact CZ-OE1 3.39Å; R303-E306 PolarHBondContact N-OE2 3.22Å; R303-E306 IonicContact NE-OE1 2.7Å; R303-E306 PolarHBondContact NE-OE1 3.42Å; R303-E306 IonicContact NE-OE2 2.97Å; R303-E306 IonicContact NH2-OE1 2.84Å; R303-E306 PolarHBondContact NH2-OE1 2.9Å; R303-E306 WeakPolarHBondContact O-CA 3.41Å; R303-E306 WeakPolarHBondContact O-CB 3.37Å; R303-E306 PolarHBondContact O-N 3.49Å; R303-V307 PolarHBondContact O-N 2.9Å; R303-V307 VanDerWaalsContact O-N 3.08Å
304P93.1Very high88Confident30 Ų3029.3 Ų29.320%0.19515%0.152CC..Hα-helixtrans-50.3-44.1179.2-29.737.8000114Y178 K179 L182 E306 V307 E308Y178-P304 VanDerWaalsContact CB-O 3.29Å; Y178-P304 WeakPolarHBondContact CB-O 3.47Å; K179-P304 HydrophobicContact CB-CB 4.32Å; K179-P304 HydrophobicContact CB-CG 4.09Å; K179-P304 HydrophobicContact CG-CG 4.47Å; L182-P304 HydrophobicContact CD1-CG 4.2Å; P304-E306 PolarHBondContact O-N 2.93Å; P304-V307 WeakPolarHBondContact O-CB 3.46Å; P304-V307 PolarHBondContact O-N 3.45Å; P304-E308 PolarHBondContact O-N 3.39Å; P304-E308 VanDerWaalsContact O-N 3.08Å
305E92.2Very high87.9Confident93 Ų9332.2 Ų32.244%0.43517%0.171SC..Hα-helixtrans-67.9-28.9-178.9-49.974-154.400111.4R303 E308 I309R303-E305 VanDerWaalsContact C-N 3.27Å; R303-E305 WeakPolarHBondContact CB-OE2 3.33Å; R303-E305 PolarHBondContact O-N 3.04Å; E305-E308 WeakPolarHBondContact O-CB 3.36Å; E305-E308 PolarHBondContact O-N 3.46Å; E305-I309 WeakPolarHBondContact O-CD1 3.47Å; E305-I309 VanDerWaalsContact O-CG1 3.27Å; E305-I309 WeakPolarHBondContact O-CG1 3.46Å; E305-I309 PolarHBondContact O-N 3.49Å
306E92.3Very high88.4Confident2 Ų236 Ų361%0.00919%0.185CC..Hα-helixtrans-76.3-32.6177-56.6174.4160.200111.2V27 K30 L302 R303 P304 I309 L310V27-E306 HydrophobicContact CG1-CB 4.4Å; V27-E306 HydrophobicContact CG1-CG 4.43Å; V27-E306 HydrophobicContact CG2-CG 3.74Å; K30-E306 WeakPolarHBondContact CD-OE2 3.15Å; K30-E306 VanDerWaalsContact NZ-CD 3.25Å; K30-E306 IonicContact NZ-OE1 3.95Å; K30-E306 PolarHBondContact NZ-OE1 3.13Å; K30-E306 IonicContact NZ-OE2 3.95Å; K30-E306 PolarHBondContact NZ-OE2 3.18Å; L302-E306 WeakPolarHBondContact CA-OE2 3.26Å; L302-E306 HydrophobicContact CB-CB 4.45Å; L302-E306 HydrophobicContact CD2-CB 3.88Å; R303-E306 HydrophobicContact CB-CG 4.11Å; R303-E306 IonicContact CZ-OE1 3.39Å; R303-E306 PolarHBondContact N-OE2 3.22Å; R303-E306 IonicContact NE-OE1 2.7Å; R303-E306 PolarHBondContact NE-OE1 3.42Å; R303-E306 IonicContact NE-OE2 2.97Å; R303-E306 IonicContact NH2-OE1 2.84Å; R303-E306 PolarHBondContact NH2-OE1 2.9Å; R303-E306 WeakPolarHBondContact O-CA 3.41Å; R303-E306 WeakPolarHBondContact O-CB 3.37Å; R303-E306 PolarHBondContact O-N 3.49Å; P304-E306 PolarHBondContact O-N 2.93Å; E306-I309 PolarHBondContact O-N 3.02Å; E306-L310 VanDerWaalsContact O-CG 3.24Å; E306-L310 WeakPolarHBondContact O-CG 3.2Å; E306-L310 PolarHBondContact O-N 3.44Å
307V92.6Very high88.8Confident2 Ų236.9 Ų36.91%0.01219%0.188CC..Hα-helixtrans-64.3-43.8170.2-1770000110M159 Y178 L182 F290 L302 R303 P304 I309 L310 V311M159-V307 HydrophobicContact CE-CG1 4.37Å; Y178-V307 HydrophobicContact CD1-CB 4.14Å; Y178-V307 HydrophobicContact CD1-CG1 3.86Å; L182-V307 HydrophobicContact CD1-CG2 3.82Å; L182-V307 HydrophobicContact CD2-CG2 4.04Å; L182-V307 HydrophobicContact CG-CG2 4.12Å; F290-V307 HydrophobicContact CZ-CG1 4.25Å; L302-V307 HydrophobicContact CB-CG2 3.93Å; L302-V307 HydrophobicContact CD1-CG2 3.86Å; R303-V307 PolarHBondContact O-N 2.9Å; R303-V307 VanDerWaalsContact O-N 3.08Å; P304-V307 WeakPolarHBondContact O-CB 3.46Å; P304-V307 PolarHBondContact O-N 3.45Å; V307-I309 PolarHBondContact O-N 3.39Å; V307-L310 PolarHBondContact O-N 3.35Å; V307-V311 HydrophobicContact CG1-CG2 4.21Å; V307-V311 WeakPolarHBondContact O-CB 3.48Å; V307-V311 WeakPolarHBondContact O-CG2 3.42Å; V307-V311 PolarHBondContact O-N 3.28Å
308E92.9Very high89.2Confident31 Ų3137.1 Ų37.115%0.14519%0.19CC..Hα-helixtrans-56.1-50.9173.9-179.6-176.9172.300111.2Y178 P304 E305 L310 V311 C312 R365Y178-E308 HydrophobicContact CD1-CB 4.15Å; Y178-E308 HydrophobicContact CD2-CB 3.83Å; Y178-E308 HydrophobicContact CD2-CG 4.36Å; Y178-E308 HydrophobicContact CE1-CB 3.91Å; Y178-E308 HydrophobicContact CE1-CG 4.35Å; Y178-E308 HydrophobicContact CE2-CB 3.6Å; Y178-E308 HydrophobicContact CE2-CG 3.65Å; Y178-E308 HydrophobicContact CG-CB 4.1Å; P304-E308 PolarHBondContact O-N 3.39Å; P304-E308 VanDerWaalsContact O-N 3.08Å; E305-E308 WeakPolarHBondContact O-CB 3.36Å; E305-E308 PolarHBondContact O-N 3.46Å; E308-L310 VanDerWaalsContact C-N 3.28Å; E308-L310 PolarHBondContact O-N 2.94Å; E308-V311 PolarHBondContact O-N 2.95Å; E308-V311 VanDerWaalsContact O-N 3.14Å; E308-C312 WeakPolarHBondContact O-CB 3.33Å; E308-C312 PolarHBondContact O-N 2.89Å; E308-R365 IonicContact OE1-CZ 3.72Å; E308-R365 VanDerWaalsContact OE1-CZ 3.26Å; E308-R365 IonicContact OE1-NH1 2.68Å; E308-R365 PolarHBondContact OE1-NH1 2.91Å; E308-R365 IonicContact OE1-NH2 3.62Å; E308-R365 PolarHBondContact OE1-NH2 2.87Å
309I90.6Very high89.5Confident40 Ų4037.3 Ų37.321%0.20519%0.19CC..Hα-helixtrans-59.6-40.5-179.7-71.3165.2000111V27 E305 E306 V307 G313 V368V27-I309 HydrophobicContact CG1-CG2 4.12Å; E305-I309 WeakPolarHBondContact O-CD1 3.47Å; E305-I309 VanDerWaalsContact O-CG1 3.27Å; E305-I309 WeakPolarHBondContact O-CG1 3.46Å; E305-I309 PolarHBondContact O-N 3.49Å; E306-I309 PolarHBondContact O-N 3.02Å; V307-I309 PolarHBondContact O-N 3.39Å; I309-G313 CarbonylContact O-C 3.52Å; I309-G313 WeakPolarHBondContact O-CA 3.41Å; I309-G313 PolarHBondContact O-N 2.96Å; I309-V368 HydrophobicContact CG2-CB 4.18Å; I309-V368 HydrophobicContact CG2-CG1 3.88Å; I309-V368 HydrophobicContact CG2-CG2 3.51Å; I309-V368 WeakPolarHBondContact O-CG2 3.47Å
310L89.8Confident89.8Confident19 Ų1941.7 Ų41.710%0.09921%0.21CC..Hα-helixtrans-67.3-34.2177.7-72170.6000113.5K31 I34 L302 E306 V307 E308 V368K31-L310 HydrophobicContact CB-CD2 3.82Å; K31-L310 HydrophobicContact CG-CD2 4.09Å; I34-L310 HydrophobicContact CD1-CD1 3.47Å; I34-L310 VanDerWaalsContact CD1-CD1 3.47Å; L302-L310 HydrophobicContact CD1-CD1 3.51Å; L302-L310 HydrophobicContact CD2-CD1 3.68Å; L302-L310 HydrophobicContact CG-CD1 4.25Å; E306-L310 VanDerWaalsContact O-CG 3.24Å; E306-L310 WeakPolarHBondContact O-CG 3.2Å; E306-L310 PolarHBondContact O-N 3.44Å; V307-L310 PolarHBondContact O-N 3.35Å; E308-L310 VanDerWaalsContact C-N 3.28Å; E308-L310 PolarHBondContact O-N 2.94Å; L310-V368 HydrophobicContact CD2-CG1 4.49Å; L310-V368 HydrophobicContact CD2-CG2 4.37Å
311V90.9Very high90.1Very high0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-84.5-46.9-176.9173.30000111M159 V163 T168 L169 V307 E308M159-V311 HydrophobicContact CE-CB 4.19Å; M159-V311 HydrophobicContact CE-CG1 3.99Å; M159-V311 HydrophobicContact CE-CG2 3.55Å; M159-V311 HydrophobicContact CG-CB 4.45Å; M159-V311 HydrophobicContact CG-CG1 3.67Å; M159-V311 HydrophobicContact CG-CG2 3.88Å; M159-V311 HydrophobicContact SD-CG1 4.24Å; V163-V311 HydrophobicContact CG2-CG2 3.4Å; T168-V311 CarbonylContact C-O 3.56Å; T168-V311 VanDerWaalsContact CA-O 3.27Å; T168-V311 WeakPolarHBondContact CA-O 3.36Å; L169-V311 HydrophobicContact CB-CG1 4.46Å; L169-V311 HydrophobicContact CD1-CG1 4.31Å; L169-V311 PolarHBondContact N-O 3.09Å; V307-V311 HydrophobicContact CG1-CG2 4.21Å; V307-V311 WeakPolarHBondContact O-CB 3.48Å; V307-V311 WeakPolarHBondContact O-CG2 3.42Å; V307-V311 PolarHBondContact O-N 3.28Å; E308-V311 PolarHBondContact O-N 2.95Å; E308-V311 VanDerWaalsContact O-N 3.14Å
312C89.5Confident90.2Very high1 Ų138.3 Ų38.31%0.00720%0.196CC..Hα-helixtrans-104.6-14.7-169.1-58.40000112.7L169 I171 Y178 E308 R365L169-C312 WeakPolarHBondContact O-CA 3.45Å; I171-C312 PolarHBondContact O-SG 2.74Å; Y178-C312 PolarHBondContact OH-SG 3.27Å; E308-C312 WeakPolarHBondContact O-CB 3.33Å; E308-C312 PolarHBondContact O-N 2.89Å; C312-R365 WeakPolarHBondContact O-CB 3.47Å; C312-R365 WeakPolarHBondContact O-CD 3.17Å
313G88.6Confident90.4Very high0 Ų040 Ų400%020%0.204CC..  trans89168.3-169.800000113I309 R365 V366I309-G313 CarbonylContact O-C 3.52Å; I309-G313 WeakPolarHBondContact O-CA 3.41Å; I309-G313 PolarHBondContact O-N 2.96Å; G313-R365 PolarHBondContact O-NH1 3.05Å; G313-V366 CarbonylContact C-O 3.48Å; G313-V366 WeakPolarHBondContact CA-O 3.46Å
314S85.8Confident90.4Very high18 Ų1841.4 Ų41.413%0.12621%0.209CC..BIsolated β-bridgetrans-78.8140.1177.7-178.80000111.6D316 V366S314-D316 PolarHBondContact O-N 3.21Å; S314-D316 WeakPolarHBondContact OG-CB 3.37Å; S314-D316 PolarHBondContact OG-N 3.03Å; S314-D316 VanDerWaalsContact OG-N 3.13Å; S314-V366 PolarHBondContact N-O 2.96Å; S314-V366 PolarHBondContact O-N 3.39Å
315P81.1Confident90.4Very high70 Ų7041.5 Ų41.546%0.45521%0.21SC..  trans-74.5-11.4170.533-36.2000113.4L317P315-L317 PolarHBondContact O-N 3.12Å; P315-L317 VanDerWaalsContact O-N 3.16Å
316D82.7Confident90.6Very high126 Ų12637.6 Ų37.667%0.67419%0.193SC*.  trans-76.3104.3-173.1-64.1-31.7000111.8S314 V366S314-D316 PolarHBondContact O-N 3.21Å; S314-D316 WeakPolarHBondContact OG-CB 3.37Å; S314-D316 PolarHBondContact OG-N 3.03Å; S314-D316 VanDerWaalsContact OG-N 3.13Å; D316-V366 WeakPolarHBondContact O-CG2 3.42Å
317L86.9Confident90.8Very high32 Ų3242.6 Ų42.617%0.16822%0.216CC..  trans-95.1109.7-174.1-16084.1000111.6P315 M319 L350 Q353 L357 V366 M371P315-L317 PolarHBondContact O-N 3.12Å; P315-L317 VanDerWaalsContact O-N 3.16Å; L317-M319 HydrophobicContact CD1-SD 4.28Å; L317-M319 HydrophobicContact CD2-CG 4.04Å; L317-M319 HydrophobicContact CD2-SD 3.78Å; L317-M319 HydrophobicContact CG-CG 4.28Å; L317-M319 HydrophobicContact CG-SD 3.86Å; L317-L350 HydrophobicContact CB-CD1 4.19Å; L317-L350 HydrophobicContact CD2-CD1 3.77Å; L317-Q353 HydrophobicContact CD2-CB 3.46Å; L317-Q353 VanDerWaalsContact CD2-CB 3.46Å; L317-L357 HydrophobicContact CD1-CD2 3.68Å; L317-V366 HydrophobicContact CD1-CG2 3.88Å; L317-M371 HydrophobicContact CB-CE 4.36Å; L317-M371 HydrophobicContact CD1-CE 3.15Å; L317-M371 HydrophobicContact CG-CE 3.5Å
318D90.1Very high91Very high69 Ų6944.8 Ų44.837%0.36923%0.225SC..  trans-11089.1170.7-179.2-2.4000111.3H320 A321 L322 R324 M371D318-H320 PolarHBondContact O-N 2.87Å; D318-H320 WeakPolarHBondContact OD1-CA 3.33Å; D318-H320 WeakPolarHBondContact OD1-CB 3.5Å; D318-H320 PolarHBondContact OD1-N 3.39Å; D318-A321 HydrophobicContact CB-CB 3.94Å; D318-A321 WeakPolarHBondContact O-CB 3.37Å; D318-A321 PolarHBondContact O-N 3.29Å; D318-A321 VanDerWaalsContact O-N 3.07Å; D318-A321 PolarHBondContact OD1-N 2.57Å; D318-A321 VanDerWaalsContact OD2-CB 3.27Å; D318-A321 WeakPolarHBondContact OD2-CB 3.31Å; D318-L322 PolarHBondContact O-N 3.35Å; D318-R324 IonicContact OD2-NH2 3.57Å; D318-M371 WeakPolarHBondContact O-CG 3.38Å
319M92.2Very high91.1Very high6 Ų647.3 Ų47.33%0.0324%0.239CC..Hα-helixtrans-64-21.7179.3-61.5-56.4-93.700113.4L317 L322 Q323 V345 L346 Q353 L356 M371L317-M319 HydrophobicContact CD1-SD 4.28Å; L317-M319 HydrophobicContact CD2-CG 4.04Å; L317-M319 HydrophobicContact CD2-SD 3.78Å; L317-M319 HydrophobicContact CG-CG 4.28Å; L317-M319 HydrophobicContact CG-SD 3.86Å; M319-L322 HydrophobicContact CE-CD2 4.05Å; M319-L322 PolarHBondContact O-N 3.25Å; M319-L322 HydrophobicContact SD-CD2 3.96Å; M319-Q323 PolarHBondContact O-N 2.87Å; M319-V345 HydrophobicContact CE-CG1 3.31Å; M319-L346 HydrophobicContact CB-CD2 3.73Å; M319-Q353 HydrophobicContact CE-CB 3.95Å; M319-Q353 HydrophobicContact CE-CG 4.26Å; M319-Q353 HydrophobicContact CG-CB 4.22Å; M319-Q353 HydrophobicContact CG-CG 4.13Å; M319-Q353 HydrophobicContact SD-CB 4.29Å; M319-L356 HydrophobicContact CE-CD2 3.91Å; M319-M371 HydrophobicContact SD-CE 3.84Å
320H93.1Very high91.3Very high99 Ų9948 Ų4846%0.45826%0.256SS..Hα-helixtrans-73.5-38.8172.9-68.8-76.9000111.4D318 L322 Q323 R324D318-H320 PolarHBondContact O-N 2.87Å; D318-H320 WeakPolarHBondContact OD1-CA 3.33Å; D318-H320 WeakPolarHBondContact OD1-CB 3.5Å; D318-H320 PolarHBondContact OD1-N 3.39Å; H320-L322 VanDerWaalsContact C-N 3.3Å; H320-Q323 PolarHBondContact O-N 2.73Å; H320-R324 WeakPolarHBondContact O-CG 3.23Å; H320-R324 PolarHBondContact O-N 2.97Å; H320-R324 PolarHBondContact O-NH1 2.88Å
321A92.1Very high91.6Very high18 Ų1848.1 Ų48.115%0.14926%0.256CS..Hα-helixtrans-62.8-39.1171.100000111.8D318 R324 S325 M371D318-A321 HydrophobicContact CB-CB 3.94Å; D318-A321 WeakPolarHBondContact O-CB 3.37Å; D318-A321 PolarHBondContact O-N 3.29Å; D318-A321 VanDerWaalsContact O-N 3.07Å; D318-A321 PolarHBondContact OD1-N 2.57Å; D318-A321 VanDerWaalsContact OD2-CB 3.27Å; D318-A321 WeakPolarHBondContact OD2-CB 3.31Å; A321-R324 VanDerWaalsContact CA-NH2 3.28Å; A321-R324 PolarHBondContact O-N 3.41Å; A321-S325 PolarHBondContact O-N 3.38Å; A321-S325 PolarHBondContact O-OG 3.5Å; A321-M371 HydrophobicContact CB-CB 3.88Å; A321-M371 HydrophobicContact CB-CG 4.49Å
322L92.9Very high91.8Very high3 Ų350.2 Ų50.22%0.01627%0.272CS..Hα-helixtrans-59.8-49.8173.6-172.166000111D318 M319 H320 R324 S325 T326 W342 M371 L374 F376D318-L322 PolarHBondContact O-N 3.35Å; M319-L322 HydrophobicContact CE-CD2 4.05Å; M319-L322 PolarHBondContact O-N 3.25Å; M319-L322 HydrophobicContact SD-CD2 3.96Å; H320-L322 VanDerWaalsContact C-N 3.3Å; L322-R324 VanDerWaalsContact C-N 3.29Å; L322-R324 PolarHBondContact O-N 3.19Å; L322-S325 PolarHBondContact O-N 2.74Å; L322-S325 VanDerWaalsContact O-N 3.16Å; L322-S325 PolarHBondContact O-OG 2.84Å; L322-S325 VanDerWaalsContact O-OG 3.12Å; L322-T326 PolarHBondContact O-N 3.44Å; L322-T326 PolarHBondContact O-OG1 3.28Å; L322-W342 HydrophobicContact CB-CH2 4.43Å; L322-W342 HydrophobicContact CD2-CH2 4.15Å; L322-W342 HydrophobicContact CD2-CZ3 4.47Å; L322-W342 HydrophobicContact CG-CH2 4Å; L322-M371 HydrophobicContact CB-CB 4.05Å; L322-M371 HydrophobicContact CB-CE 4.45Å; L322-M371 HydrophobicContact CB-CG 4.2Å; L322-M371 HydrophobicContact CB-SD 4.12Å; L322-M371 HydrophobicContact CD1-CB 4.4Å; L322-M371 HydrophobicContact CD1-SD 4.03Å; L322-M371 HydrophobicContact CG-SD 4.45Å; L322-L374 HydrophobicContact CD1-CD2 3.69Å; L322-F376 HydrophobicContact CD1-CB 3.54Å; L322-F376 HydrophobicContact CD1-CD1 4.07Å; L322-F376 HydrophobicContact CD1-CG 3.88Å; L322-F376 HydrophobicContact CD2-CD1 4.33Å; L322-F376 HydrophobicContact CG-CB 4.48Å; L322-F376 HydrophobicContact CG-CD1 4.13Å; L322-F376 HydrophobicContact CG-CG 4.42Å
323Q95.1Very high92Very high49 Ų4956 Ų5623%0.22930%0.297CS..Hα-helixtrans-55.7-41.9177-179.8-177.739.900113M319 H320 S325 W342M319-Q323 PolarHBondContact O-N 2.87Å; H320-Q323 PolarHBondContact O-N 2.73Å; Q323-S325 VanDerWaalsContact C-N 3.33Å; Q323-S325 PolarHBondContact O-N 3.49Å; Q323-W342 HydrophobicContact CB-CD2 3.74Å; Q323-W342 HydrophobicContact CB-CE3 3.66Å; Q323-W342 HydrophobicContact CB-CG 4.46Å; Q323-W342 HydrophobicContact CB-CH2 3.97Å; Q323-W342 HydrophobicContact CB-CZ2 4.04Å; Q323-W342 HydrophobicContact CB-CZ3 3.77Å; Q323-W342 HydrophobicContact CG-CD2 3.52Å; Q323-W342 HydrophobicContact CG-CE3 3.96Å; Q323-W342 HydrophobicContact CG-CG 3.75Å; Q323-W342 HydrophobicContact CG-CZ2 4.28Å; Q323-W342 HydrophobicContact CG-CZ3 4.49Å
324R94.4Very high92.3Very high162 Ų16260.7 Ų60.761%0.61133%0.326SS*.Hα-helixtrans-65.9-35.1-179.4-74-173.9-62.7-91.43.5112.7D318 H320 A321 L322D318-R324 IonicContact OD2-NH2 3.57Å; H320-R324 WeakPolarHBondContact O-CG 3.23Å; H320-R324 PolarHBondContact O-N 2.97Å; H320-R324 PolarHBondContact O-NH1 2.88Å; A321-R324 VanDerWaalsContact CA-NH2 3.28Å; A321-R324 PolarHBondContact O-N 3.41Å; L322-R324 VanDerWaalsContact C-N 3.29Å; L322-R324 PolarHBondContact O-N 3.19Å
325S93Very high92.8Very high32 Ų3262.6 Ų62.622%0.22434%0.335CS..Hα-helixtrans-96.6-5.9-174.954.10000114.3A321 L322 Q323 Q327A321-S325 PolarHBondContact O-N 3.38Å; A321-S325 PolarHBondContact O-OG 3.5Å; L322-S325 PolarHBondContact O-N 2.74Å; L322-S325 VanDerWaalsContact O-N 3.16Å; L322-S325 PolarHBondContact O-OG 2.84Å; L322-S325 VanDerWaalsContact O-OG 3.12Å; Q323-S325 VanDerWaalsContact C-N 3.33Å; Q323-S325 PolarHBondContact O-N 3.49Å; S325-Q327 PolarHBondContact O-N 3Å
326T95.9Very high93.5Very high11 Ų1164 Ų647%0.06734%0.338CS..  trans-65131-177.8-61.10000111.9L322 Y328 W342 F376 I378L322-T326 PolarHBondContact O-N 3.44Å; L322-T326 PolarHBondContact O-OG1 3.28Å; T326-Y328 HydrophobicContact CG2-CD1 4.46Å; T326-Y328 HydrophobicContact CG2-CE1 3.89Å; T326-Y328 HydrophobicContact CG2-CE2 4.22Å; T326-Y328 VanDerWaalsContact O-CE2 3.27Å; T326-Y328 WeakPolarHBondContact O-CE2 3.38Å; T326-W342 HydrophobicContact CG2-CZ2 4.06Å; T326-W342 WeakPolarHBondContact OG1-CZ2 3.29Å; T326-F376 WeakPolarHBondContact CA-O 3.3Å; T326-F376 HydrophobicContact CG2-CD1 3.75Å; T326-F376 HydrophobicContact CG2-CE1 4.23Å; T326-F376 WeakPolarHBondContact OG1-CD1 3.32Å; T326-I378 HydrophobicContact CG2-CB 4.48Å; T326-I378 HydrophobicContact CG2-CD1 3.95Å; T326-I378 HydrophobicContact CG2-CG1 3.83Å
327Q95.8Very high94.1Very high106 Ų10658.7 Ų58.750%0.49531%0.31SS..EExtended strand (participates in β ladder)trans-91.8144173-59.8179.421.500110.3S325 F376 K377 I378S325-Q327 PolarHBondContact O-N 3Å; Q327-F376 PolarHBondContact N-O 3.5Å; Q327-K377 HydrophobicContact CB-CG 4.44Å; Q327-K377 CarbonylContact O-C 3.56Å; Q327-K377 WeakPolarHBondContact O-CA 3.48Å; Q327-I378 PolarHBondContact O-N 2.95Å
328Y96.8Very high94.6Very high49 Ų4957.2 Ų57.219%0.19230%0.303CS..EExtended strand (participates in β ladder)trans-119.4137.8-180-56.4-85.6000110.2T326 Y331 K333 I338 W342 I378T326-Y328 HydrophobicContact CG2-CD1 4.46Å; T326-Y328 HydrophobicContact CG2-CE1 3.89Å; T326-Y328 HydrophobicContact CG2-CE2 4.22Å; T326-Y328 VanDerWaalsContact O-CE2 3.27Å; T326-Y328 WeakPolarHBondContact O-CE2 3.38Å; Y328-Y331 WeakPolarHBondContact CB-O 3.4Å; Y328-K333 HydrophobicContact CD2-CB 4.37Å; Y328-K333 HydrophobicContact CE2-CB 4.07Å; Y328-K333 HydrophobicContact CE2-CG 4.19Å; Y328-I338 HydrophobicContact CD1-CD1 3.73Å; Y328-I338 HydrophobicContact CD1-CG1 3.95Å; Y328-I338 HydrophobicContact CD1-CG2 4.16Å; Y328-I338 HydrophobicContact CE1-CB 4.3Å; Y328-I338 HydrophobicContact CE1-CD1 3.75Å; Y328-I338 HydrophobicContact CE1-CG1 3.95Å; Y328-I338 HydrophobicContact CE1-CG2 3.36Å; Y328-W342 AromaticContact CZ-NE1 3.91Å; Y328-W342 PolarHBondContact OH-NE1 3.34Å; Y328-I378 WeakPolarHBondContact CA-O 3.35Å; Y328-I378 HydrophobicContact CD1-CB 4.07Å; Y328-I378 HydrophobicContact CE1-CB 4.3Å; Y328-I378 HydrophobicContact CE1-CD1 4.07Å
329D95.4Very high95Very high83 Ų8359 Ų5944%0.44431%0.307SS..EExtended strand (participates in β ladder)trans-130.7122.5177.5-173.89.3000109.3Y331 K377 I378 S379 K380D329-Y331 PolarHBondContact O-N 3.4Å; D329-Y331 VanDerWaalsContact O-N 3.14Å; D329-K377 WeakPolarHBondContact OD2-CE 3.35Å; D329-K377 IonicContact OD2-NZ 2.73Å; D329-K377 PolarHBondContact OD2-NZ 2.94Å; D329-I378 PolarHBondContact N-O 3.25Å; D329-S379 CarbonylContact O-C 3.56Å; D329-S379 VanDerWaalsContact O-CA 3.29Å; D329-S379 WeakPolarHBondContact O-CA 3.35Å; D329-K380 PolarHBondContact O-N 2.73Å
330G94.5Very high95.2Very high55 Ų5561.5 Ų61.557%0.56732%0.317SS*.SBendtrans67.51.3-168.600000115.4K380G330-K380 VanDerWaalsContact O-CD 3.26Å; G330-K380 WeakPolarHBondContact O-CD 3.31Å
331Y96.1Very high95.4Very high22 Ų2256.8 Ų56.89%0.08630%0.295CS..  trans-124.7151169.9-76.4-58.5000110.9Y328 D329 D335 T337 I338 I378 K380 L400 P401 P402Y328-Y331 WeakPolarHBondContact CB-O 3.4Å; D329-Y331 PolarHBondContact O-N 3.4Å; D329-Y331 VanDerWaalsContact O-N 3.14Å; Y331-D335 WeakPolarHBondContact CA-OD2 3.29Å; Y331-D335 HydrophobicContact CD1-CB 4.3Å; Y331-D335 WeakPolarHBondContact CD1-OD2 3.48Å; Y331-T337 HydrophobicContact CE1-CG2 4.5Å; Y331-I338 HydrophobicContact CD1-CD1 4.48Å; Y331-I338 HydrophobicContact CD1-CG1 4.31Å; Y331-I338 HydrophobicContact CD2-CD1 3.73Å; Y331-I338 HydrophobicContact CD2-CG1 4.35Å; Y331-I338 HydrophobicContact CE2-CD1 4.28Å; Y331-I338 HydrophobicContact CG-CD1 3.84Å; Y331-I338 HydrophobicContact CG-CG1 3.94Å; Y331-I378 HydrophobicContact CD2-CG2 4.26Å; Y331-K380 HydrophobicContact CD1-CB 4.35Å; Y331-K380 HydrophobicContact CD1-CD 4.29Å; Y331-K380 HydrophobicContact CD1-CG 4.44Å; Y331-K380 HydrophobicContact CD2-CB 3.73Å; Y331-K380 HydrophobicContact CD2-CG 4.45Å; Y331-K380 HydrophobicContact CE1-CB 4.2Å; Y331-K380 HydrophobicContact CE1-CD 3.94Å; Y331-K380 HydrophobicContact CE1-CG 3.91Å; Y331-K380 HydrophobicContact CE2-CB 3.57Å; Y331-K380 HydrophobicContact CE2-CG 3.94Å; Y331-K380 HydrophobicContact CG-CB 4.12Å; Y331-L400 HydrophobicContact CE2-CB 4.24Å; Y331-L400 WeakPolarHBondContact CE2-O 3.4Å; Y331-L400 PolarHBondContact OH-O 2.96Å; Y331-P401 VanDerWaalsContact OH-C 3.22Å; Y331-P401 PolarHBondContact OH-O 3.45Å; Y331-P402 WeakPolarHBondContact OH-CA 3.45Å; Y331-P402 VanDerWaalsContact OH-N 3.14Å
332A95.4Very high95.7Very high43 Ų4356.1 Ų56.136%0.35529%0.289SS..  trans-98.4151.2162.700000110.6T334 D335A332-T334 PolarHBondContact O-N 3.48Å; A332-D335 PolarHBondContact N-OD2 3.48Å; A332-D335 VanDerWaalsContact O-CB 3.3Å; A332-D335 WeakPolarHBondContact O-CB 3.37Å; A332-D335 PolarHBondContact O-N 2.87Å
333K94.6Very high95.9Very high122 Ų12260.1 Ų60.153%0.5331%0.31SS..THydrogen-bonded Turntrans-56.5-25.1174.9-172175.7-179.7176.70112.9Y328Y328-K333 HydrophobicContact CD2-CB 4.37Å; Y328-K333 HydrophobicContact CE2-CB 4.07Å; Y328-K333 HydrophobicContact CE2-CG 4.19Å
334T95.4Very high96Very high99 Ų9958.2 Ų58.261%0.60730%0.302SS*.THydrogen-bonded Turntrans-81.9-12.6179.146.60000114.2A332 K339A332-T334 PolarHBondContact O-N 3.48Å; T334-K339 WeakPolarHBondContact O-CE 3.45Å; T334-K339 PolarHBondContact O-NZ 3.49Å; T334-K339 VanDerWaalsContact O-NZ 3.09Å
335D96Very high96.1Very high58 Ų5850.5 Ų50.531%0.3127%0.272SS..SBendtrans-64.2145-175.8-69.6-14.7000111.5Y331 A332 T337 I338 K339Y331-D335 WeakPolarHBondContact CA-OD2 3.29Å; Y331-D335 HydrophobicContact CD1-CB 4.3Å; Y331-D335 WeakPolarHBondContact CD1-OD2 3.48Å; A332-D335 PolarHBondContact N-OD2 3.48Å; A332-D335 VanDerWaalsContact O-CB 3.3Å; A332-D335 WeakPolarHBondContact O-CB 3.37Å; A332-D335 PolarHBondContact O-N 2.87Å; D335-T337 VanDerWaalsContact C-N 3.32Å; D335-T337 PolarHBondContact O-N 3.18Å; D335-I338 HydrophobicContact CB-CG1 4.31Å; D335-I338 PolarHBondContact O-N 3.42Å; D335-I338 VanDerWaalsContact O-N 3.13Å; D335-K339 PolarHBondContact O-N 3.07Å
336L95.4Very high96.3Very high99 Ų9951.3 Ų51.352%0.51827%0.274SS..Hα-helixtrans-61.8-41.2-173.9-167.864.6000111.9I338 K339 Y340L336-I338 VanDerWaalsContact C-N 3.33Å; L336-I338 PolarHBondContact O-N 3.13Å; L336-K339 PolarHBondContact O-N 3.2Å; L336-Y340 HydrophobicContact CD1-CD1 4.42Å; L336-Y340 HydrophobicContact CD1-CE1 3.69Å; L336-Y340 HydrophobicContact CD1-CE2 4.27Å; L336-Y340 HydrophobicContact CD2-CE2 3.87Å; L336-Y340 WeakPolarHBondContact CD2-OH 3.5Å; L336-Y340 HydrophobicContact CG-CD2 4.22Å; L336-Y340 HydrophobicContact CG-CE1 3.94Å; L336-Y340 HydrophobicContact CG-CE2 3.59Å; L336-Y340 VanDerWaalsContact CG-CZ 3.43Å; L336-Y340 WeakPolarHBondContact O-CB 3.35Å; L336-Y340 PolarHBondContact O-N 2.73Å
337T95.4Very high96.3Very high15 Ų1553.7 Ų53.79%0.09230%0.301CS..Hα-helixtrans-61.1-39.2176.3-53.10000112Y331 D335 Y340 F341 L400 Y403 L409Y331-T337 HydrophobicContact CE1-CG2 4.5Å; D335-T337 VanDerWaalsContact C-N 3.32Å; D335-T337 PolarHBondContact O-N 3.18Å; T337-Y340 PolarHBondContact O-N 3.31Å; T337-F341 WeakPolarHBondContact O-CB 3.4Å; T337-F341 PolarHBondContact O-N 3.36Å; T337-L400 HydrophobicContact CG2-CD2 3.9Å; T337-L400 HydrophobicContact CG2-CG 4.37Å; T337-Y403 PolarHBondContact OG1-O 3.19Å; T337-L409 HydrophobicContact CG2-CD1 4.03Å; T337-L409 WeakPolarHBondContact O-CD1 3.25Å
338I97.7Very high96.3Very high1 Ų149.2 Ų49.21%0.00528%0.28CS..Hα-helixtrans-70.5-41.4177.8-63.9-51000111.6Y328 Y331 D335 L336 Y340 F341 W342 I378 L400Y328-I338 HydrophobicContact CD1-CD1 3.73Å; Y328-I338 HydrophobicContact CD1-CG1 3.95Å; Y328-I338 HydrophobicContact CD1-CG2 4.16Å; Y328-I338 HydrophobicContact CE1-CB 4.3Å; Y328-I338 HydrophobicContact CE1-CD1 3.75Å; Y328-I338 HydrophobicContact CE1-CG1 3.95Å; Y328-I338 HydrophobicContact CE1-CG2 3.36Å; Y331-I338 HydrophobicContact CD1-CD1 4.48Å; Y331-I338 HydrophobicContact CD1-CG1 4.31Å; Y331-I338 HydrophobicContact CD2-CD1 3.73Å; Y331-I338 HydrophobicContact CD2-CG1 4.35Å; Y331-I338 HydrophobicContact CE2-CD1 4.28Å; Y331-I338 HydrophobicContact CG-CD1 3.84Å; Y331-I338 HydrophobicContact CG-CG1 3.94Å; D335-I338 HydrophobicContact CB-CG1 4.31Å; D335-I338 PolarHBondContact O-N 3.42Å; D335-I338 VanDerWaalsContact O-N 3.13Å; L336-I338 VanDerWaalsContact C-N 3.33Å; L336-I338 PolarHBondContact O-N 3.13Å; I338-Y340 VanDerWaalsContact C-N 3.34Å; I338-F341 WeakPolarHBondContact O-CB 3.18Å; I338-F341 PolarHBondContact O-N 3.29Å; I338-W342 VanDerWaalsContact O-CD1 3.29Å; I338-W342 PolarHBondContact O-N 2.93Å; I338-W342 VanDerWaalsContact O-N 3.09Å; I338-I378 HydrophobicContact CD1-CG2 3.85Å; I338-L400 HydrophobicContact CD1-CD2 4.46Å
339K97Very high96.2Very high108 Ų10850.7 Ų50.747%0.4730%0.295SS..Hα-helixtrans-60-46.1173.2-70175.2177165.30111.2T334 D335 L336 F341 W342 D343T334-K339 WeakPolarHBondContact O-CE 3.45Å; T334-K339 PolarHBondContact O-NZ 3.49Å; T334-K339 VanDerWaalsContact O-NZ 3.09Å; D335-K339 PolarHBondContact O-N 3.07Å; L336-K339 PolarHBondContact O-N 3.2Å; K339-F341 VanDerWaalsContact C-N 3.33Å; K339-F341 PolarHBondContact O-N 3.47Å; K339-W342 PolarHBondContact O-N 2.95Å; K339-D343 WeakPolarHBondContact O-CB 3.36Å; K339-D343 PolarHBondContact O-N 3.02Å
340Y97.4Very high96Very high57 Ų5750.8 Ų50.822%0.22430%0.295CS..Hα-helixtrans-60.7-41.6175.5-68.3-15.1000112.7L336 T337 I338 V344 K406L336-Y340 HydrophobicContact CD1-CD1 4.42Å; L336-Y340 HydrophobicContact CD1-CE1 3.69Å; L336-Y340 HydrophobicContact CD1-CE2 4.27Å; L336-Y340 HydrophobicContact CD2-CE2 3.87Å; L336-Y340 WeakPolarHBondContact CD2-OH 3.5Å; L336-Y340 HydrophobicContact CG-CD2 4.22Å; L336-Y340 HydrophobicContact CG-CE1 3.94Å; L336-Y340 HydrophobicContact CG-CE2 3.59Å; L336-Y340 VanDerWaalsContact CG-CZ 3.43Å; L336-Y340 WeakPolarHBondContact O-CB 3.35Å; L336-Y340 PolarHBondContact O-N 2.73Å; T337-Y340 PolarHBondContact O-N 3.31Å; I338-Y340 VanDerWaalsContact C-N 3.34Å; Y340-V344 WeakPolarHBondContact O-CB 3.33Å; Y340-V344 WeakPolarHBondContact O-CG2 3.32Å; Y340-V344 PolarHBondContact O-N 3Å; Y340-K406 HydrophobicContact CD1-CB 3.93Å; Y340-K406 HydrophobicContact CD1-CD 4.32Å; Y340-K406 HydrophobicContact CD1-CG 4.32Å; Y340-K406 HydrophobicContact CD2-CB 4.14Å; Y340-K406 HydrophobicContact CE1-CB 4.27Å; Y340-K406 HydrophobicContact CE2-CB 4.46Å; Y340-K406 HydrophobicContact CG-CB 3.85Å; Y340-K406 HydrophobicContact CG-CG 4.33Å
341F97.8Very high95.8Very high0 Ų053.5 Ų53.50%030%0.297CS..Hα-helixtrans-56.9-54.4176.5174.7-94.5000111.2T337 I338 K339 D343 V344 V345 L356 F376 I378 L398 L400 L409 L413T337-F341 WeakPolarHBondContact O-CB 3.4Å; T337-F341 PolarHBondContact O-N 3.36Å; I338-F341 WeakPolarHBondContact O-CB 3.18Å; I338-F341 PolarHBondContact O-N 3.29Å; K339-F341 VanDerWaalsContact C-N 3.33Å; K339-F341 PolarHBondContact O-N 3.47Å; F341-D343 PolarHBondContact O-N 2.73Å; F341-V344 PolarHBondContact O-N 2.84Å; F341-V344 VanDerWaalsContact O-N 3.16Å; F341-V345 HydrophobicContact CD1-CG2 4.3Å; F341-V345 HydrophobicContact CD2-CG2 4.12Å; F341-V345 HydrophobicContact CE1-CG2 3.94Å; F341-V345 HydrophobicContact CE2-CG2 3.75Å; F341-V345 HydrophobicContact CG-CG2 4.38Å; F341-V345 HydrophobicContact CZ-CG2 3.68Å; F341-V345 WeakPolarHBondContact O-CB 3.38Å; F341-V345 VanDerWaalsContact O-CG2 3.31Å; F341-V345 WeakPolarHBondContact O-CG2 3.35Å; F341-V345 PolarHBondContact O-N 2.97Å; F341-L356 HydrophobicContact CZ-CD2 4.08Å; F341-F376 HydrophobicContact CZ-CE1 4.49Å; F341-I378 HydrophobicContact CD1-CD1 3.65Å; F341-I378 HydrophobicContact CE1-CD1 3.43Å; F341-I378 VanDerWaalsContact CE1-CD1 3.43Å; F341-I378 HydrophobicContact CG-CD1 4.31Å; F341-I378 HydrophobicContact CZ-CD1 3.92Å; F341-L398 HydrophobicContact CD2-CD2 4.26Å; F341-L398 HydrophobicContact CE2-CD2 3.39Å; F341-L398 HydrophobicContact CZ-CD2 3.75Å; F341-L400 HydrophobicContact CB-CD2 4.15Å; F341-L400 HydrophobicContact CD2-CD1 4.47Å; F341-L400 HydrophobicContact CD2-CD2 4.04Å; F341-L400 HydrophobicContact CG-CD2 4.29Å; F341-L409 HydrophobicContact CB-CD1 4.13Å; F341-L409 HydrophobicContact CB-CD2 4.49Å; F341-L413 HydrophobicContact CD2-CD2 4.08Å; F341-L413 HydrophobicContact CE2-CD1 4.33Å; F341-L413 HydrophobicContact CE2-CD2 3.9Å
342W97.7Very high95.7Very high5 Ų554 Ų542%0.01930%0.301CS..Hα-helixtrans-67.7-38.8-177.4-73.4114000113.5L322 Q323 T326 Y328 I338 K339 V344 V345 L346 F376 I378L322-W342 HydrophobicContact CB-CH2 4.43Å; L322-W342 HydrophobicContact CD2-CH2 4.15Å; L322-W342 HydrophobicContact CD2-CZ3 4.47Å; L322-W342 HydrophobicContact CG-CH2 4Å; Q323-W342 HydrophobicContact CB-CD2 3.74Å; Q323-W342 HydrophobicContact CB-CE3 3.66Å; Q323-W342 HydrophobicContact CB-CG 4.46Å; Q323-W342 HydrophobicContact CB-CH2 3.97Å; Q323-W342 HydrophobicContact CB-CZ2 4.04Å; Q323-W342 HydrophobicContact CB-CZ3 3.77Å; Q323-W342 HydrophobicContact CG-CD2 3.52Å; Q323-W342 HydrophobicContact CG-CE3 3.96Å; Q323-W342 HydrophobicContact CG-CG 3.75Å; Q323-W342 HydrophobicContact CG-CZ2 4.28Å; Q323-W342 HydrophobicContact CG-CZ3 4.49Å; T326-W342 HydrophobicContact CG2-CZ2 4.06Å; T326-W342 WeakPolarHBondContact OG1-CZ2 3.29Å; Y328-W342 AromaticContact CZ-NE1 3.91Å; Y328-W342 PolarHBondContact OH-NE1 3.34Å; I338-W342 VanDerWaalsContact O-CD1 3.29Å; I338-W342 PolarHBondContact O-N 2.93Å; I338-W342 VanDerWaalsContact O-N 3.09Å; K339-W342 PolarHBondContact O-N 2.95Å; W342-V344 PolarHBondContact O-N 3.24Å; W342-V345 HydrophobicContact CE3-CB 4.44Å; W342-V345 HydrophobicContact CE3-CG1 4.36Å; W342-V345 HydrophobicContact CZ3-CG1 4.2Å; W342-V345 PolarHBondContact O-N 3.13Å; W342-L346 HydrophobicContact CB-CD1 4.49Å; W342-L346 VanDerWaalsContact O-CB 3.25Å; W342-L346 WeakPolarHBondContact O-CB 3.21Å; W342-L346 WeakPolarHBondContact O-CG 3.46Å; W342-L346 PolarHBondContact O-N 2.82Å; W342-F376 HydrophobicContact CH2-CE1 4.31Å; W342-F376 HydrophobicContact CZ2-CE1 4.45Å; W342-I378 HydrophobicContact CZ2-CD1 4.19Å
343D96.9Very high95.6Very high87 Ų8753.2 Ų53.247%0.46529%0.29SS..Hα-helixtrans-56.8-39.6172.6-83.29.4000112.4K339 F341 G347 K406K339-D343 WeakPolarHBondContact O-CB 3.36Å; K339-D343 PolarHBondContact O-N 3.02Å; F341-D343 PolarHBondContact O-N 2.73Å; D343-G347 PolarHBondContact O-N 2.83Å; D343-K406 HydrophobicContact CB-CD 4.48Å; D343-K406 IonicContact OD2-NZ 2.82Å; D343-K406 PolarHBondContact OD2-NZ 3.01Å
344V97.3Very high95.4Very high8 Ų850.2 Ų50.25%0.04828%0.277CS..Hα-helixtrans-72.6-47.6179.9166.20000110.6Y340 F341 W342 G347 F348 K406 L409 K410 L413Y340-V344 WeakPolarHBondContact O-CB 3.33Å; Y340-V344 WeakPolarHBondContact O-CG2 3.32Å; Y340-V344 PolarHBondContact O-N 3Å; F341-V344 PolarHBondContact O-N 2.84Å; F341-V344 VanDerWaalsContact O-N 3.16Å; W342-V344 PolarHBondContact O-N 3.24Å; V344-G347 CarbonylContact O-C 3.52Å; V344-G347 PolarHBondContact O-N 2.82Å; V344-F348 HydrophobicContact CG1-CD1 4.19Å; V344-F348 HydrophobicContact CG1-CE1 3.39Å; V344-F348 HydrophobicContact CG1-CE2 4.21Å; V344-F348 HydrophobicContact CG1-CZ 3.4Å; V344-F348 VanDerWaalsContact CG1-CZ 3.4Å; V344-F348 VanDerWaalsContact O-CD1 3.26Å; V344-F348 WeakPolarHBondContact O-CD1 3.33Å; V344-F348 PolarHBondContact O-N 2.81Å; V344-F348 VanDerWaalsContact O-N 3.17Å; V344-K406 HydrophobicContact CG2-CD 4.48Å; V344-K406 HydrophobicContact CG2-CG 3.73Å; V344-L409 HydrophobicContact CB-CD2 4.22Å; V344-L409 HydrophobicContact CG1-CD2 4.35Å; V344-L409 HydrophobicContact CG2-CD2 4.18Å; V344-K410 HydrophobicContact CG1-CB 3.92Å; V344-K410 HydrophobicContact CG1-CD 4.4Å; V344-K410 HydrophobicContact CG1-CG 3.87Å; V344-K410 HydrophobicContact CG2-CB 3.93Å; V344-K410 HydrophobicContact CG2-CG 4.48Å; V344-L413 HydrophobicContact CG1-CD2 4.4Å
345V96.7Very high95.2Very high0 Ų050.3 Ų50.30%027%0.269CS..Hα-helixtrans-68.9-41.8-175.6170.10000112.3M319 F341 W342 G347 F348 Q353 L356 L413M319-V345 HydrophobicContact CE-CG1 3.31Å; F341-V345 HydrophobicContact CD1-CG2 4.3Å; F341-V345 HydrophobicContact CD2-CG2 4.12Å; F341-V345 HydrophobicContact CE1-CG2 3.94Å; F341-V345 HydrophobicContact CE2-CG2 3.75Å; F341-V345 HydrophobicContact CG-CG2 4.38Å; F341-V345 HydrophobicContact CZ-CG2 3.68Å; F341-V345 WeakPolarHBondContact O-CB 3.38Å; F341-V345 VanDerWaalsContact O-CG2 3.31Å; F341-V345 WeakPolarHBondContact O-CG2 3.35Å; F341-V345 PolarHBondContact O-N 2.97Å; W342-V345 HydrophobicContact CE3-CB 4.44Å; W342-V345 HydrophobicContact CE3-CG1 4.36Å; W342-V345 HydrophobicContact CZ3-CG1 4.2Å; W342-V345 PolarHBondContact O-N 3.13Å; V345-G347 PolarHBondContact O-N 3.39Å; V345-F348 HydrophobicContact CG2-CD2 4.47Å; V345-F348 HydrophobicContact CG2-CE2 4.32Å; V345-F348 WeakPolarHBondContact O-CB 2.97Å; V345-F348 PolarHBondContact O-N 2.76Å; V345-F348 VanDerWaalsContact O-N 3.15Å; V345-Q353 PolarHBondContact O-NE2 2.85Å; V345-L356 HydrophobicContact CB-CD2 4.25Å; V345-L356 HydrophobicContact CG1-CD2 3.55Å; V345-L356 HydrophobicContact CG2-CD2 3.59Å; V345-L413 HydrophobicContact CG2-CD2 3.86Å
346L96.6Very high95Very high50 Ų5047.7 Ų47.726%0.26226%0.255SS..Hα-helixtrans-67.1-26.1175.3-66.3172000112M319 W342M319-L346 HydrophobicContact CB-CD2 3.73Å; W342-L346 HydrophobicContact CB-CD1 4.49Å; W342-L346 VanDerWaalsContact O-CB 3.25Å; W342-L346 WeakPolarHBondContact O-CB 3.21Å; W342-L346 WeakPolarHBondContact O-CG 3.46Å; W342-L346 PolarHBondContact O-N 2.82Å
347G95.6Very high94.8Very high61 Ų6143 Ų4363%0.62923%0.23SC*.THydrogen-bonded Turntrans-86.90.417400000114.9D343 V344 V345D343-G347 PolarHBondContact O-N 2.83Å; V344-G347 CarbonylContact O-C 3.52Å; V344-G347 PolarHBondContact O-N 2.82Å; V345-G347 PolarHBondContact O-N 3.39Å
348F96.4Very high94.5Very high12 Ų1244.1 Ų44.15%0.05323%0.234CC..SBendtrans-75.2146.9176.1-79.1-14.5000112.1V344 V345 L352 Q353 K410 L413 I414 I417V344-F348 HydrophobicContact CG1-CD1 4.19Å; V344-F348 HydrophobicContact CG1-CE1 3.39Å; V344-F348 HydrophobicContact CG1-CE2 4.21Å; V344-F348 HydrophobicContact CG1-CZ 3.4Å; V344-F348 VanDerWaalsContact CG1-CZ 3.4Å; V344-F348 VanDerWaalsContact O-CD1 3.26Å; V344-F348 WeakPolarHBondContact O-CD1 3.33Å; V344-F348 PolarHBondContact O-N 2.81Å; V344-F348 VanDerWaalsContact O-N 3.17Å; V345-F348 HydrophobicContact CG2-CD2 4.47Å; V345-F348 HydrophobicContact CG2-CE2 4.32Å; V345-F348 WeakPolarHBondContact O-CB 2.97Å; V345-F348 PolarHBondContact O-N 2.76Å; V345-F348 VanDerWaalsContact O-N 3.15Å; F348-L352 HydrophobicContact CB-CB 3.9Å; F348-L352 HydrophobicContact CD1-CD1 4.16Å; F348-L352 HydrophobicContact CD2-CB 3.89Å; F348-L352 HydrophobicContact CE1-CD1 4.41Å; F348-L352 HydrophobicContact CG-CB 3.88Å; F348-L352 HydrophobicContact CG-CD1 4.36Å; F348-Q353 HydrophobicContact CB-CG 3.74Å; F348-Q353 PolarHBondContact O-NE2 3.49Å; F348-K410 HydrophobicContact CE1-CG 4.27Å; F348-L413 HydrophobicContact CE2-CD2 3.9Å; F348-L413 HydrophobicContact CE2-CG 4.43Å; F348-L413 HydrophobicContact CZ-CD2 4.06Å; F348-I414 HydrophobicContact CE1-CD1 4.06Å; F348-I414 HydrophobicContact CE1-CG1 3.99Å; F348-I414 HydrophobicContact CZ-CD1 4.34Å; F348-I414 HydrophobicContact CZ-CG1 3.77Å; F348-I417 HydrophobicContact CE2-CD1 4.09Å
349P95.3Very high94.1Very high79 Ų7945.2 Ų45.251%0.51324%0.239SC..  trans-62156.2163.629.9-35.5000110.3D351 L352 Q353P349-D351 PolarHBondContact O-N 3.13Å; P349-D351 VanDerWaalsContact O-N 3.11Å; P349-L352 HydrophobicContact CG-CB 4.13Å; P349-L352 HydrophobicContact CG-CD1 3.9Å; P349-L352 HydrophobicContact CG-CG 4Å; P349-L352 PolarHBondContact O-N 3.33Å; P349-Q353 PolarHBondContact O-N 3.4Å; P349-Q353 VanDerWaalsContact O-N 3.1Å
350L91.2Very high93.8Very high86 Ų8640 Ų4045%0.4522%0.217SC..Hα-helixtrans-51.4-40.4-175.6-17861.8000112.6L317 L352 Q353 K354L317-L350 HydrophobicContact CB-CD1 4.19Å; L317-L350 HydrophobicContact CD2-CD1 3.77Å; L350-L352 VanDerWaalsContact C-N 3.35Å; L350-L352 PolarHBondContact O-N 2.82Å; L350-Q353 WeakPolarHBondContact O-CB 3.22Å; L350-Q353 PolarHBondContact O-N 3.29Å; L350-Q353 VanDerWaalsContact O-N 3.17Å; L350-K354 HydrophobicContact CD1-CG 4.47Å; L350-K354 HydrophobicContact CG-CD 4.38Å; L350-K354 WeakPolarHBondContact O-CG 3.43Å; L350-K354 PolarHBondContact O-N 3.16Å
351D90.4Very high93.1Very high112 Ų11238.3 Ų38.360%0.59921%0.212SC*.Hα-helixtrans-62.8-38.7-179.9-58.4-36000113P349 K354 K355P349-D351 PolarHBondContact O-N 3.13Å; P349-D351 VanDerWaalsContact O-N 3.11Å; D351-K354 PolarHBondContact O-N 2.84Å; D351-K355 WeakPolarHBondContact O-CG 3.29Å; D351-K355 PolarHBondContact O-N 3.28Å
352L92.9Very high92.3Very high33 Ų3338.5 Ų38.517%0.17321%0.214CC..Hα-helixtrans-74.4-31.7176.1-74.2-179.8000111.7F348 P349 L350 K355 L356 I417F348-L352 HydrophobicContact CB-CB 3.9Å; F348-L352 HydrophobicContact CD1-CD1 4.16Å; F348-L352 HydrophobicContact CD2-CB 3.89Å; F348-L352 HydrophobicContact CE1-CD1 4.41Å; F348-L352 HydrophobicContact CG-CB 3.88Å; F348-L352 HydrophobicContact CG-CD1 4.36Å; P349-L352 HydrophobicContact CG-CB 4.13Å; P349-L352 HydrophobicContact CG-CD1 3.9Å; P349-L352 HydrophobicContact CG-CG 4Å; P349-L352 PolarHBondContact O-N 3.33Å; L350-L352 VanDerWaalsContact C-N 3.35Å; L350-L352 PolarHBondContact O-N 2.82Å; L352-K355 HydrophobicContact CD2-CD 4.26Å; L352-K355 PolarHBondContact O-N 2.9Å; L352-L356 PolarHBondContact O-N 3.05Å; L352-I417 HydrophobicContact CD2-CD1 4.07Å
353Q93.8Very high91.5Very high26 Ų2638.6 Ų38.612%0.12122%0.215CC..Hα-helixtrans-65.9-41.9172.3-61.6-179.4-8.800111.2L317 M319 V345 F348 P349 L350 L356 L357L317-Q353 HydrophobicContact CD2-CB 3.46Å; L317-Q353 VanDerWaalsContact CD2-CB 3.46Å; M319-Q353 HydrophobicContact CE-CB 3.95Å; M319-Q353 HydrophobicContact CE-CG 4.26Å; M319-Q353 HydrophobicContact CG-CB 4.22Å; M319-Q353 HydrophobicContact CG-CG 4.13Å; M319-Q353 HydrophobicContact SD-CB 4.29Å; V345-Q353 PolarHBondContact O-NE2 2.85Å; F348-Q353 HydrophobicContact CB-CG 3.74Å; F348-Q353 PolarHBondContact O-NE2 3.49Å; P349-Q353 PolarHBondContact O-N 3.4Å; P349-Q353 VanDerWaalsContact O-N 3.1Å; L350-Q353 WeakPolarHBondContact O-CB 3.22Å; L350-Q353 PolarHBondContact O-N 3.29Å; L350-Q353 VanDerWaalsContact O-N 3.17Å; Q353-L356 WeakPolarHBondContact O-CB 3.37Å; Q353-L356 PolarHBondContact O-N 2.87Å; Q353-L357 PolarHBondContact O-N 3.36Å
354K90.4Very high90.6Very high59 Ų5935.4 Ų35.426%0.25720%0.198SC..Hα-helixtrans-62-44.5172.5-77.4-177.3177.7-178.40112.3L350 D351 L356 L357 H358 D364L350-K354 HydrophobicContact CD1-CG 4.47Å; L350-K354 HydrophobicContact CG-CD 4.38Å; L350-K354 WeakPolarHBondContact O-CG 3.43Å; L350-K354 PolarHBondContact O-N 3.16Å; D351-K354 PolarHBondContact O-N 2.84Å; K354-L356 VanDerWaalsContact C-N 3.32Å; K354-L356 PolarHBondContact O-N 2.89Å; K354-L357 WeakPolarHBondContact O-CB 3.35Å; K354-L357 PolarHBondContact O-N 3.44Å; K354-L357 VanDerWaalsContact O-N 3.16Å; K354-H358 PolarHBondContact O-N 3.26Å; K354-D364 HydrophobicContact CB-CB 3.99Å; K354-D364 HydrophobicContact CG-CB 4.32Å
355K91.3Very high90Very high101 Ų10136.9 Ų36.944%0.43920%0.203SC..Hα-helixtrans-61.5-38174.6-76.6-180178.3-1730112.7D351 L352 H358 F359 I417D351-K355 WeakPolarHBondContact O-CG 3.29Å; D351-K355 PolarHBondContact O-N 3.28Å; L352-K355 HydrophobicContact CD2-CD 4.26Å; L352-K355 PolarHBondContact O-N 2.9Å; K355-H358 PolarHBondContact O-N 3.36Å; K355-F359 VanDerWaalsContact O-CB 3.25Å; K355-F359 WeakPolarHBondContact O-CB 3.45Å; K355-F359 PolarHBondContact O-N 3.42Å; K355-I417 HydrophobicContact CB-CB 4.38Å; K355-I417 HydrophobicContact CB-CD1 4.33Å; K355-I417 HydrophobicContact CB-CG1 4.33Å
356L92.9Very high89.4Confident2 Ų236.9 Ų36.91%0.0120%0.203CC..Hα-helixtrans-63.2-43.9173.3175.968.3000111.5M319 F341 V345 L352 Q353 K354 F359 T360 L413 I417M319-L356 HydrophobicContact CE-CD2 3.91Å; F341-L356 HydrophobicContact CZ-CD2 4.08Å; V345-L356 HydrophobicContact CB-CD2 4.25Å; V345-L356 HydrophobicContact CG1-CD2 3.55Å; V345-L356 HydrophobicContact CG2-CD2 3.59Å; L352-L356 PolarHBondContact O-N 3.05Å; Q353-L356 WeakPolarHBondContact O-CB 3.37Å; Q353-L356 PolarHBondContact O-N 2.87Å; K354-L356 VanDerWaalsContact C-N 3.32Å; K354-L356 PolarHBondContact O-N 2.89Å; L356-F359 PolarHBondContact O-N 2.97Å; L356-T360 HydrophobicContact CD1-CG2 4.18Å; L356-T360 WeakPolarHBondContact O-CB 3.26Å; L356-T360 WeakPolarHBondContact O-CG2 3.24Å; L356-T360 PolarHBondContact O-N 3.41Å; L356-T360 PolarHBondContact O-OG1 3Å; L356-L413 HydrophobicContact CD1-CD1 4.01Å; L356-I417 HydrophobicContact CB-CD1 4.49Å; L356-I417 HydrophobicContact CB-CG2 4.28Å; L356-I417 HydrophobicContact CD1-CG2 3.83Å
357L90.7Very high88.6Confident2 Ų235.5 Ų35.51%0.0120%0.197CC..Hα-helixtrans-62.9-46.1177.8-166.166000110.6L317 Q353 K354 F359 T360 T361 S363 V366 L374L317-L357 HydrophobicContact CD1-CD2 3.68Å; Q353-L357 PolarHBondContact O-N 3.36Å; K354-L357 WeakPolarHBondContact O-CB 3.35Å; K354-L357 PolarHBondContact O-N 3.44Å; K354-L357 VanDerWaalsContact O-N 3.16Å; L357-F359 PolarHBondContact O-N 3.01Å; L357-T360 PolarHBondContact O-N 2.96Å; L357-T360 PolarHBondContact O-OG1 3.45Å; L357-T361 HydrophobicContact CD1-CG2 3.74Å; L357-T361 HydrophobicContact CG-CG2 4.28Å; L357-T361 WeakPolarHBondContact O-CB 3.45Å; L357-T361 WeakPolarHBondContact O-CG2 3.49Å; L357-T361 PolarHBondContact O-N 3.46Å; L357-T361 PolarHBondContact O-OG1 3.15Å; L357-S363 CarbonylContact C-O 3.5Å; L357-S363 WeakPolarHBondContact CG-O 3.46Å; L357-V366 HydrophobicContact CD2-CG2 4.18Å; L357-L374 HydrophobicContact CD1-CD2 3.48Å; L357-L374 VanDerWaalsContact CD1-CD2 3.48Å
358H88.4Confident87.5Confident38 Ų3833.7 Ų33.718%0.17617%0.174CC..Hα-helixtrans-60.6-46.3176.1-171.179.3000111.8D170 K354 K355 T360 G362 S363 D364D170-H358 IonicContact OD2-CE1 3.64Å; D170-H358 PolarHBondContact OD2-CE1 3.25Å; K354-H358 PolarHBondContact O-N 3.26Å; K355-H358 PolarHBondContact O-N 3.36Å; H358-T360 PolarHBondContact O-N 3.35Å; H358-G362 PolarHBondContact CE1-O 3.12Å; H358-G362 VanDerWaalsContact O-CA 3.25Å; H358-G362 WeakPolarHBondContact O-CA 3.31Å; H358-G362 PolarHBondContact O-N 2.87Å; H358-S363 VanDerWaalsContact CA-O 3.23Å; H358-S363 WeakPolarHBondContact CA-O 3.28Å; H358-S363 PolarHBondContact N-O 3.06Å; H358-S363 VanDerWaalsContact N-O 3.09Å; H358-D364 HydrophobicContact CB-CB 4.42Å
359F90.1Very high86.3Confident23 Ų2335.1 Ų35.110%0.10119%0.192CC..Hα-helixtrans-55-40.1177175.9-127.2000112.5K355 L356 L357 P389 A391 T393 L398 I417 S420K355-F359 VanDerWaalsContact O-CB 3.25Å; K355-F359 WeakPolarHBondContact O-CB 3.45Å; K355-F359 PolarHBondContact O-N 3.42Å; L356-F359 PolarHBondContact O-N 2.97Å; L357-F359 PolarHBondContact O-N 3.01Å; F359-P389 HydrophobicContact CE1-CG 4.43Å; F359-P389 WeakPolarHBondContact CZ-O 3.46Å; F359-A391 HydrophobicContact CD1-CB 4.07Å; F359-A391 HydrophobicContact CD2-CB 4.05Å; F359-A391 HydrophobicContact CE1-CB 3.87Å; F359-A391 HydrophobicContact CE2-CB 3.89Å; F359-A391 HydrophobicContact CG-CB 4.2Å; F359-A391 HydrophobicContact CZ-CB 3.81Å; F359-A391 WeakPolarHBondContact O-CB 3.5Å; F359-T393 WeakPolarHBondContact O-CG2 3.28Å; F359-L398 HydrophobicContact CD1-CD1 4.09Å; F359-L398 HydrophobicContact CE1-CD1 3.62Å; F359-I417 HydrophobicContact CB-CB 4.23Å; F359-I417 HydrophobicContact CB-CG2 3.94Å; F359-I417 HydrophobicContact CD1-CG2 3.67Å; F359-I417 HydrophobicContact CE1-CG2 4.43Å; F359-I417 HydrophobicContact CG-CB 4.49Å; F359-I417 HydrophobicContact CG-CG2 3.98Å; F359-S420 WeakPolarHBondContact CD2-OG 3.49Å
360T89.3Confident85.6Confident0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-96.4-19.9-170.6550000114.8L356 L357 H358 F376 A391 T393 N396 L398L356-T360 HydrophobicContact CD1-CG2 4.18Å; L356-T360 WeakPolarHBondContact O-CB 3.26Å; L356-T360 WeakPolarHBondContact O-CG2 3.24Å; L356-T360 PolarHBondContact O-N 3.41Å; L356-T360 PolarHBondContact O-OG1 3Å; L357-T360 PolarHBondContact O-N 2.96Å; L357-T360 PolarHBondContact O-OG1 3.45Å; H358-T360 PolarHBondContact O-N 3.35Å; T360-F376 HydrophobicContact CG2-CE2 3.83Å; T360-F376 HydrophobicContact CG2-CZ 4.25Å; T360-F376 WeakPolarHBondContact OG1-CE2 3.34Å; T360-A391 HydrophobicContact CG2-CB 4.39Å; T360-T393 WeakPolarHBondContact O-CA 3.43Å; T360-N396 WeakPolarHBondContact O-CA 3.19Å; T360-L398 HydrophobicContact CG2-CB 3.93Å; T360-L398 HydrophobicContact CG2-CD1 3.9Å; T360-L398 HydrophobicContact CG2-CG 4.36Å
361T84.3Confident85.2Confident21 Ų2128.9 Ų28.913%0.12916%0.161CC..Hα-helixtrans-126-14.5-173.773.10000113.4L357 S363 L374 N396L357-T361 HydrophobicContact CD1-CG2 3.74Å; L357-T361 HydrophobicContact CG-CG2 4.28Å; L357-T361 WeakPolarHBondContact O-CB 3.45Å; L357-T361 WeakPolarHBondContact O-CG2 3.49Å; L357-T361 PolarHBondContact O-N 3.46Å; L357-T361 PolarHBondContact O-OG1 3.15Å; T361-S363 VanDerWaalsContact C-N 3.28Å; T361-S363 PolarHBondContact OG1-N 3.03Å; T361-S363 VanDerWaalsContact OG1-N 3.15Å; T361-S363 PolarHBondContact OG1-O 2.96Å; T361-L374 HydrophobicContact CG2-CD1 3.82Å; T361-L374 HydrophobicContact CG2-CD2 3.8Å; T361-L374 HydrophobicContact CG2-CG 4.1Å; T361-N396 WeakPolarHBondContact CB-OD1 3.34Å; T361-N396 HydrophobicContact CG2-CB 4.3Å
362G79.2Confident84.7Confident3 Ų326.2 Ų26.23%0.03116%0.155CC..SBendtrans78.56.7-171.300000114.2H358H358-G362 PolarHBondContact CE1-O 3.12Å; H358-G362 VanDerWaalsContact O-CA 3.25Å; H358-G362 WeakPolarHBondContact O-CA 3.31Å; H358-G362 PolarHBondContact O-N 2.87Å
363S80.9Confident84.1Confident8 Ų828.4 Ų28.46%0.05617%0.167CC..  trans-142.9149.1174.3-173.90000110.9L357 H358 T361 R365L357-S363 CarbonylContact C-O 3.5Å; L357-S363 WeakPolarHBondContact CG-O 3.46Å; H358-S363 VanDerWaalsContact CA-O 3.23Å; H358-S363 WeakPolarHBondContact CA-O 3.28Å; H358-S363 PolarHBondContact N-O 3.06Å; H358-S363 VanDerWaalsContact N-O 3.09Å; T361-S363 VanDerWaalsContact C-N 3.28Å; T361-S363 PolarHBondContact OG1-N 3.03Å; T361-S363 VanDerWaalsContact OG1-N 3.15Å; T361-S363 PolarHBondContact OG1-O 2.96Å; S363-R365 VanDerWaalsContact C-N 3.31Å; S363-R365 PolarHBondContact OG-N 2.77Å
364D79.5Confident83.6Confident20 Ų2027.6 Ų27.611%0.10716%0.164CC..SBendtrans-92.48.3170.770.4-27.8000113.1R172 K354 H358R172-D364 IonicContact CZ-OD1 3.36Å; R172-D364 IonicContact CZ-OD2 3.57Å; R172-D364 IonicContact NH1-OD2 3.56Å; R172-D364 IonicContact NH2-OD1 2.73Å; R172-D364 PolarHBondContact NH2-OD1 2.92Å; R172-D364 IonicContact NH2-OD2 2.85Å; R172-D364 PolarHBondContact NH2-OD2 3.36Å; K354-D364 HydrophobicContact CB-CB 3.99Å; K354-D364 HydrophobicContact CG-CB 4.32Å; H358-D364 HydrophobicContact CB-CB 4.42Å
365R83.8Confident83.4Confident38 Ų3829.6 Ų29.614%0.14318%0.177CC..SBendtrans-109.4154.1178.8-65.9-178.3176.3-141.87.8112.2E308 C312 G313 S363E308-R365 IonicContact OE1-CZ 3.72Å; E308-R365 VanDerWaalsContact OE1-CZ 3.26Å; E308-R365 IonicContact OE1-NH1 2.68Å; E308-R365 PolarHBondContact OE1-NH1 2.91Å; E308-R365 IonicContact OE1-NH2 3.62Å; E308-R365 PolarHBondContact OE1-NH2 2.87Å; C312-R365 WeakPolarHBondContact O-CB 3.47Å; C312-R365 WeakPolarHBondContact O-CD 3.17Å; G313-R365 PolarHBondContact O-NH1 3.05Å; S363-R365 VanDerWaalsContact C-N 3.31Å; S363-R365 PolarHBondContact OG-N 2.77Å
366V83.8Confident83.4Confident1 Ų124.8 Ų24.81%0.00616%0.156CC..BIsolated β-bridgetrans-97.6144.4-175.9-173.80000110G313 S314 D316 L317 L357 M371G313-V366 CarbonylContact C-O 3.48Å; G313-V366 WeakPolarHBondContact CA-O 3.46Å; S314-V366 PolarHBondContact N-O 2.96Å; S314-V366 PolarHBondContact O-N 3.39Å; D316-V366 WeakPolarHBondContact O-CG2 3.42Å; L317-V366 HydrophobicContact CD1-CG2 3.88Å; L357-V366 HydrophobicContact CD2-CG2 4.18Å; V366-M371 HydrophobicContact CB-SD 4.32Å; V366-M371 HydrophobicContact CG1-CB 4.41Å; V366-M371 HydrophobicContact CG1-CG 3.8Å; V366-M371 HydrophobicContact CG1-SD 3.7Å; V366-M371 HydrophobicContact CG2-CE 3.6Å; V366-M371 HydrophobicContact CG2-CG 4.29Å; V366-M371 HydrophobicContact CG2-SD 3.64Å
367P79.9Confident83.5Confident20 Ų2027.1 Ų27.113%0.1317%0.166CC..  trans-54.9149.1169.6-24.634000111.6G369 G370 D373 L374P367-G369 PolarHBondContact O-N 2.9Å; P367-G370 WeakPolarHBondContact O-CA 3.21Å; P367-G370 PolarHBondContact O-N 3.31Å; P367-D373 HydrophobicContact CB-CB 3.98Å; P367-D373 HydrophobicContact CG-CB 4.42Å; P367-L374 HydrophobicContact CG-CB 4.35Å; P367-L374 HydrophobicContact CG-CD1 3.93Å
368V74.2Confident83.8Confident23 Ų2327 Ų2714%0.13917%0.165CC..THydrogen-bonded Turntrans-60.9-17.1-175.8-179.90000114.4V27 K31 I309 L310 G370V27-V368 HydrophobicContact CG1-CG1 4.18Å; K31-V368 HydrophobicContact CB-CG1 4.16Å; K31-V368 HydrophobicContact CD-CB 3.61Å; K31-V368 HydrophobicContact CD-CG1 3.64Å; K31-V368 HydrophobicContact CG-CG1 4.48Å; I309-V368 HydrophobicContact CG2-CB 4.18Å; I309-V368 HydrophobicContact CG2-CG1 3.88Å; I309-V368 HydrophobicContact CG2-CG2 3.51Å; I309-V368 WeakPolarHBondContact O-CG2 3.47Å; L310-V368 HydrophobicContact CD2-CG1 4.49Å; L310-V368 HydrophobicContact CD2-CG2 4.37Å; V368-G370 VanDerWaalsContact C-N 3.29Å
369G70.4Confident84.2Confident43 Ų4325.5 Ų25.544%0.44316%0.159SC..THydrogen-bonded Turntrans-88.25.8172.200000114.1P367 D373P367-G369 PolarHBondContact O-N 2.9Å; G369-D373 VanDerWaalsContact CA-OD2 3.27Å; G369-D373 WeakPolarHBondContact CA-OD2 3.39Å
370G79.9Confident84.4Confident29 Ų2927.9 Ų27.930%0.29917%0.17SC..  trans90.1-177.2-178.400000113.2P367 V368 A372 D373P367-G370 WeakPolarHBondContact O-CA 3.21Å; P367-G370 PolarHBondContact O-N 3.31Å; V368-G370 VanDerWaalsContact C-N 3.29Å; G370-A372 PolarHBondContact O-N 3.34Å; G370-A372 VanDerWaalsContact O-N 3.15Å; G370-D373 PolarHBondContact O-N 2.96Å; G370-D373 VanDerWaalsContact O-N 3.15Å
371M82.6Confident84.4Confident4 Ų429.7 Ų29.72%0.0218%0.179CC..G310 helixtrans-62-24.7-173.7-73.2-72.1-152.200114.4L317 D318 M319 A321 L322 V366 D373 L374L317-M371 HydrophobicContact CB-CE 4.36Å; L317-M371 HydrophobicContact CD1-CE 3.15Å; L317-M371 HydrophobicContact CG-CE 3.5Å; D318-M371 WeakPolarHBondContact O-CG 3.38Å; M319-M371 HydrophobicContact SD-CE 3.84Å; A321-M371 HydrophobicContact CB-CB 3.88Å; A321-M371 HydrophobicContact CB-CG 4.49Å; L322-M371 HydrophobicContact CB-CB 4.05Å; L322-M371 HydrophobicContact CB-CE 4.45Å; L322-M371 HydrophobicContact CB-CG 4.2Å; L322-M371 HydrophobicContact CB-SD 4.12Å; L322-M371 HydrophobicContact CD1-CB 4.4Å; L322-M371 HydrophobicContact CD1-SD 4.03Å; L322-M371 HydrophobicContact CG-SD 4.45Å; V366-M371 HydrophobicContact CB-SD 4.32Å; V366-M371 HydrophobicContact CG1-CB 4.41Å; V366-M371 HydrophobicContact CG1-CG 3.8Å; V366-M371 HydrophobicContact CG1-SD 3.7Å; V366-M371 HydrophobicContact CG2-CE 3.6Å; V366-M371 HydrophobicContact CG2-CG 4.29Å; V366-M371 HydrophobicContact CG2-SD 3.64Å; M371-D373 VanDerWaalsContact C-N 3.26Å; M371-D373 PolarHBondContact O-N 3.07Å; M371-L374 VanDerWaalsContact O-CB 3.28Å; M371-L374 WeakPolarHBondContact O-CB 3.29Å; M371-L374 PolarHBondContact O-N 3.04Å
372A80.9Confident84.2Confident56 Ų5635.3 Ų35.346%0.46320%0.204SC..G310 helixtrans-64.3-31.8178.300000112.7G370 L374G370-A372 PolarHBondContact O-N 3.34Å; G370-A372 VanDerWaalsContact O-N 3.15Å; A372-L374 PolarHBondContact O-N 3.19Å
373D80.9Confident84.1Confident79 Ų7937.9 Ų37.942%0.42222%0.219SC..G310 helixtrans-75.5-11179.7-77.37.1000112.7K31 P367 G369 G370 M371 N375K31-D373 IonicContact NZ-OD2 3.43Å; K31-D373 PolarHBondContact NZ-OD2 3Å; P367-D373 HydrophobicContact CB-CB 3.98Å; P367-D373 HydrophobicContact CG-CB 4.42Å; G369-D373 VanDerWaalsContact CA-OD2 3.27Å; G369-D373 WeakPolarHBondContact CA-OD2 3.39Å; G370-D373 PolarHBondContact O-N 2.96Å; G370-D373 VanDerWaalsContact O-N 3.15Å; M371-D373 VanDerWaalsContact C-N 3.26Å; M371-D373 PolarHBondContact O-N 3.07Å; D373-N375 PolarHBondContact O-N 3.31Å
374L82.3Confident84Confident10 Ų1040.7 Ų40.75%0.05224%0.239CC..G310 helixtrans-70.3-20.8-177.5-167.670.7000112.3L322 L357 T361 P367 M371 A372 F376 N396L322-L374 HydrophobicContact CD1-CD2 3.69Å; L357-L374 HydrophobicContact CD1-CD2 3.48Å; L357-L374 VanDerWaalsContact CD1-CD2 3.48Å; T361-L374 HydrophobicContact CG2-CD1 3.82Å; T361-L374 HydrophobicContact CG2-CD2 3.8Å; T361-L374 HydrophobicContact CG2-CG 4.1Å; P367-L374 HydrophobicContact CG-CB 4.35Å; P367-L374 HydrophobicContact CG-CD1 3.93Å; M371-L374 VanDerWaalsContact O-CB 3.28Å; M371-L374 WeakPolarHBondContact O-CB 3.29Å; M371-L374 PolarHBondContact O-N 3.04Å; A372-L374 PolarHBondContact O-N 3.19Å; L374-F376 HydrophobicContact CD2-CB 4.18Å; L374-F376 PolarHBondContact O-N 3.21Å; L374-N396 PolarHBondContact O-ND2 2.82Å
375N85.3Confident84.1Confident100 Ų10041.3 Ų41.354%0.53524%0.243SC..  trans50.643.9-174.1-64.1-52.1000112.5D373 K377D373-N375 PolarHBondContact O-N 3.31Å; N375-K377 PolarHBondContact O-N 3.11Å
376F93.1Very high84.1Confident0 Ų045.1 Ų45.10%027%0.266CS..  trans-65.4132.7-177.4-175.7-115.1000111.6L322 T326 Q327 F341 W342 T360 L374 I378 N396 L398L322-F376 HydrophobicContact CD1-CB 3.54Å; L322-F376 HydrophobicContact CD1-CD1 4.07Å; L322-F376 HydrophobicContact CD1-CG 3.88Å; L322-F376 HydrophobicContact CD2-CD1 4.33Å; L322-F376 HydrophobicContact CG-CB 4.48Å; L322-F376 HydrophobicContact CG-CD1 4.13Å; L322-F376 HydrophobicContact CG-CG 4.42Å; T326-F376 WeakPolarHBondContact CA-O 3.3Å; T326-F376 HydrophobicContact CG2-CD1 3.75Å; T326-F376 HydrophobicContact CG2-CE1 4.23Å; T326-F376 WeakPolarHBondContact OG1-CD1 3.32Å; Q327-F376 PolarHBondContact N-O 3.5Å; F341-F376 HydrophobicContact CZ-CE1 4.49Å; W342-F376 HydrophobicContact CH2-CE1 4.31Å; W342-F376 HydrophobicContact CZ2-CE1 4.45Å; T360-F376 HydrophobicContact CG2-CE2 3.83Å; T360-F376 HydrophobicContact CG2-CZ 4.25Å; T360-F376 WeakPolarHBondContact OG1-CE2 3.34Å; L374-F376 HydrophobicContact CD2-CB 4.18Å; L374-F376 PolarHBondContact O-N 3.21Å; F376-I378 HydrophobicContact CD1-CG1 4.39Å; F376-I378 HydrophobicContact CE1-CD1 3.92Å; F376-I378 HydrophobicContact CE1-CG1 3.69Å; F376-I378 HydrophobicContact CZ-CG1 4.16Å; F376-N396 VanDerWaalsContact CD2-O 3.32Å; F376-N396 WeakPolarHBondContact CD2-O 3.33Å; F376-L398 HydrophobicContact CE2-CB 4.4Å; F376-L398 HydrophobicContact CZ-CB 4.11Å; F376-L398 HydrophobicContact CZ-CD2 4.44Å
377K94.8Very high84.3Confident51 Ų5147.6 Ų47.622%0.22228%0.284CS..EExtended strand (participates in β ladder)trans-124.5132.2-175.7-172.2-178.4178.7-168.40111.3Q327 D329 N375 S379 N396 Q397 L398Q327-K377 HydrophobicContact CB-CG 4.44Å; Q327-K377 CarbonylContact O-C 3.56Å; Q327-K377 WeakPolarHBondContact O-CA 3.48Å; D329-K377 WeakPolarHBondContact OD2-CE 3.35Å; D329-K377 IonicContact OD2-NZ 2.73Å; D329-K377 PolarHBondContact OD2-NZ 2.94Å; N375-K377 PolarHBondContact O-N 3.11Å; K377-S379 WeakPolarHBondContact CE-OG 3.48Å; K377-N396 PolarHBondContact N-O 3.15Å; K377-Q397 HydrophobicContact CB-CB 4.35Å; K377-Q397 HydrophobicContact CB-CG 4.38Å; K377-Q397 HydrophobicContact CD-CG 4.37Å; K377-Q397 HydrophobicContact CG-CG 4.45Å; K377-Q397 CarbonylContact O-C 3.11Å; K377-Q397 WeakPolarHBondContact O-CA 3.27Å; K377-L398 PolarHBondContact O-N 3.28Å
378I97.3Very high84.9Confident0 Ų050 Ų500%030%0.295CS..EExtended strand (participates in β ladder)trans-109.9117.9168.7-57.9178.2000108.6T326 Q327 Y328 D329 Y331 I338 F341 W342 F376 L398 L400T326-I378 HydrophobicContact CG2-CB 4.48Å; T326-I378 HydrophobicContact CG2-CD1 3.95Å; T326-I378 HydrophobicContact CG2-CG1 3.83Å; Q327-I378 PolarHBondContact O-N 2.95Å; Y328-I378 WeakPolarHBondContact CA-O 3.35Å; Y328-I378 HydrophobicContact CD1-CB 4.07Å; Y328-I378 HydrophobicContact CE1-CB 4.3Å; Y328-I378 HydrophobicContact CE1-CD1 4.07Å; D329-I378 PolarHBondContact N-O 3.25Å; Y331-I378 HydrophobicContact CD2-CG2 4.26Å; I338-I378 HydrophobicContact CD1-CG2 3.85Å; F341-I378 HydrophobicContact CD1-CD1 3.65Å; F341-I378 HydrophobicContact CE1-CD1 3.43Å; F341-I378 VanDerWaalsContact CE1-CD1 3.43Å; F341-I378 HydrophobicContact CG-CD1 4.31Å; F341-I378 HydrophobicContact CZ-CD1 3.92Å; W342-I378 HydrophobicContact CZ2-CD1 4.19Å; F376-I378 HydrophobicContact CD1-CG1 4.39Å; F376-I378 HydrophobicContact CE1-CD1 3.92Å; F376-I378 HydrophobicContact CE1-CG1 3.69Å; F376-I378 HydrophobicContact CZ-CG1 4.16Å; I378-L398 CarbonylContact C-O 3.14Å; I378-L398 WeakPolarHBondContact CA-O 3.27Å; I378-L398 HydrophobicContact CG1-CB 4.47Å; I378-L400 HydrophobicContact CG2-CB 3.9Å; I378-L400 HydrophobicContact CG2-CD2 4.14Å
379S96.1Very high85.7Confident7 Ų749.1 Ų49.15%0.04929%0.29CS..EExtended strand (participates in β ladder)trans-109.4140.1179.3-52.90000110.7D329 K377 N381 Q397 L398 C399 L400D329-S379 CarbonylContact O-C 3.56Å; D329-S379 VanDerWaalsContact O-CA 3.29Å; D329-S379 WeakPolarHBondContact O-CA 3.35Å; K377-S379 WeakPolarHBondContact CE-OG 3.48Å; S379-N381 PolarHBondContact O-N 2.99Å; S379-Q397 PolarHBondContact OG-NE2 2.97Å; S379-Q397 VanDerWaalsContact OG-NE2 3.07Å; S379-L398 PolarHBondContact N-O 3.27Å; S379-C399 CarbonylContact O-C 3.37Å; S379-C399 WeakPolarHBondContact O-CA 3.45Å; S379-L400 PolarHBondContact O-N 3.07Å
380K94.4Very high86.7Confident73 Ų7350.4 Ų50.432%0.31729%0.289SS..EExtended strand (participates in β ladder)trans-67.8125.5173.4-174.5173.7179.1-142.80110.1D329 G330 Y331 E382D329-K380 PolarHBondContact O-N 2.73Å; G330-K380 VanDerWaalsContact O-CD 3.26Å; G330-K380 WeakPolarHBondContact O-CD 3.31Å; Y331-K380 HydrophobicContact CD1-CB 4.35Å; Y331-K380 HydrophobicContact CD1-CD 4.29Å; Y331-K380 HydrophobicContact CD1-CG 4.44Å; Y331-K380 HydrophobicContact CD2-CB 3.73Å; Y331-K380 HydrophobicContact CD2-CG 4.45Å; Y331-K380 HydrophobicContact CE1-CB 4.2Å; Y331-K380 HydrophobicContact CE1-CD 3.94Å; Y331-K380 HydrophobicContact CE1-CG 3.91Å; Y331-K380 HydrophobicContact CE2-CB 3.57Å; Y331-K380 HydrophobicContact CE2-CG 3.94Å; Y331-K380 HydrophobicContact CG-CB 4.12Å; K380-E382 WeakPolarHBondContact CD-OE1 3.39Å; K380-E382 VanDerWaalsContact CE-OE1 3.27Å; K380-E382 WeakPolarHBondContact CE-OE1 3.49Å; K380-E382 WeakPolarHBondContact CE-OE2 3.32Å; K380-E382 VanDerWaalsContact NZ-CD 3.25Å; K380-E382 IonicContact NZ-OE1 2.71Å; K380-E382 PolarHBondContact NZ-OE1 3.34Å; K380-E382 IonicContact NZ-OE2 3.01Å; K380-E382 PolarHBondContact NZ-OE2 3.22Å
381N89.4Confident87.3Confident37 Ų3750 Ų5020%0.19828%0.283CS..  trans-102.2110.6172-168.9-2.7000109.1S379 T383 C399 L400 P401 P402S379-N381 PolarHBondContact O-N 2.99Å; N381-T383 PolarHBondContact ND2-OG1 2.94Å; N381-T383 VanDerWaalsContact ND2-OG1 3.09Å; N381-T383 PolarHBondContact O-N 3.39Å; N381-T383 VanDerWaalsContact O-N 3.09Å; N381-T383 VanDerWaalsContact OD1-CG2 3.25Å; N381-T383 WeakPolarHBondContact OD1-CG2 3.32Å; N381-T383 PolarHBondContact OD1-N 3.15Å; N381-T383 PolarHBondContact OD1-OG1 3.27Å; N381-T383 VanDerWaalsContact OD1-OG1 3.07Å; N381-C399 HydrophobicContact CB-CB 4.22Å; N381-L400 PolarHBondContact N-O 3.34Å; N381-L400 VanDerWaalsContact N-O 3.13Å; N381-P401 HydrophobicContact CB-CG 4.43Å; N381-P402 VanDerWaalsContact O-CD 3.22Å; N381-P402 WeakPolarHBondContact O-CD 3.3Å
382E80.4Confident87.5Confident140 Ų14054 Ų5465%0.65430%0.301SS*.  trans-71.62.9-178.3-61-68176.700113.4K380K380-E382 WeakPolarHBondContact CD-OE1 3.39Å; K380-E382 VanDerWaalsContact CE-OE1 3.27Å; K380-E382 WeakPolarHBondContact CE-OE1 3.49Å; K380-E382 WeakPolarHBondContact CE-OE2 3.32Å; K380-E382 VanDerWaalsContact NZ-CD 3.25Å; K380-E382 IonicContact NZ-OE1 2.71Å; K380-E382 PolarHBondContact NZ-OE1 3.34Å; K380-E382 IonicContact NZ-OE2 3.01Å; K380-E382 PolarHBondContact NZ-OE2 3.22Å
383T76.4Confident87.7Confident57 Ų5753 Ų5335%0.3529%0.289SS..SBendtrans-60.9159169.653.90000112.4N381N381-T383 PolarHBondContact ND2-OG1 2.94Å; N381-T383 VanDerWaalsContact ND2-OG1 3.09Å; N381-T383 PolarHBondContact O-N 3.39Å; N381-T383 VanDerWaalsContact O-N 3.09Å; N381-T383 VanDerWaalsContact OD1-CG2 3.25Å; N381-T383 WeakPolarHBondContact OD1-CG2 3.32Å; N381-T383 PolarHBondContact OD1-N 3.15Å; N381-T383 PolarHBondContact OD1-OG1 3.27Å; N381-T383 VanDerWaalsContact OD1-OG1 3.07Å
384S79.3Confident87.5Confident66 Ų6650.5 Ų50.546%0.46228%0.278SS..  trans-48.7143.4175.9178.50000112.7N386 C387S384-N386 PolarHBondContact O-N 3.06Å; S384-N386 PolarHBondContact OG-N 3.27Å; S384-C387 WeakPolarHBondContact O-CB 3.32Å; S384-C387 PolarHBondContact O-N 2.98Å
385T81.3Confident87.5Confident34 Ų3456.5 Ų56.521%0.20930%0.304CS..THydrogen-bonded Turntrans-62.3-8.7174.355.90000113.5P402 Y403T385-P402 HydrophobicContact CG2-CG 4.41Å; T385-P402 VanDerWaalsContact CG2-O 3.26Å; T385-P402 WeakPolarHBondContact CG2-O 3.17Å; T385-Y403 WeakPolarHBondContact O-CD1 3.38Å; T385-Y403 WeakPolarHBondContact O-CE1 3.47Å
386N84.1Confident87.7Confident117 Ų11752.3 Ų52.363%0.62628%0.281SS*.THydrogen-bonded Turntrans-79.3-19.8173.5-66.9-17.6000113S384 K412S384-N386 PolarHBondContact O-N 3.06Å; S384-N386 PolarHBondContact OG-N 3.27Å; N386-K412 PolarHBondContact O-NZ 3.04Å
387C87.4Confident87.7Confident54 Ų5453.9 Ų53.937%0.36529%0.289SS..SBendtrans-70.2155.4179.4-64.80000111.3S384 Y403S384-C387 WeakPolarHBondContact O-CB 3.32Å; S384-C387 PolarHBondContact O-N 2.98Å; C387-Y403 PolarHBondContact O-OH 2.71Å
388L91.9Very high87.7Confident70 Ų7051.5 Ų51.537%0.36628%0.278SS..PPolyproline II helixtrans-78.1157170.7-66.3176.2000110.2K412 I415L388-K412 HydrophobicContact CD2-CB 4.25Å; L388-K412 HydrophobicContact CD2-CD 3.72Å; L388-I415 HydrophobicContact CD1-CG2 3.85Å; L388-I415 HydrophobicContact CD2-CB 3.91Å; L388-I415 HydrophobicContact CD2-CG2 3.65Å; L388-I415 HydrophobicContact CG-CG2 4.44Å
389P92.6Very high87.6Confident5 Ų552.1 Ų52.13%0.03228%0.283CS..PPolyproline II helixtrans-63.7150.816730.3-32.6000110.2F359 L398 C399 L400 Y403 K412 L413F359-P389 HydrophobicContact CE1-CG 4.43Å; F359-P389 WeakPolarHBondContact CZ-O 3.46Å; P389-L398 HydrophobicContact CB-CD1 3.98Å; P389-C399 WeakPolarHBondContact CA-O 3.35Å; P389-L400 HydrophobicContact CB-CD1 4.23Å; P389-Y403 VanDerWaalsContact CD-OH 3.29Å; P389-Y403 WeakPolarHBondContact CD-OH 3.27Å; P389-K412 WeakPolarHBondContact CD-O 3.24Å; P389-L413 HydrophobicContact CG-CD1 4.04Å
390V91.2Very high87.6Confident69 Ų6951.8 Ų51.842%0.41828%0.28SS..EExtended strand (participates in β ladder)trans-122148.7178.4178.70000108.4C399V390-C399 HydrophobicContact CB-CB 4.32Å; V390-C399 PolarHBondContact N-O 3.06Å; V390-C399 VanDerWaalsContact N-O 3.1Å; V390-C399 WeakPolarHBondContact O-CA 3.42Å; V390-C399 WeakPolarHBondContact O-CB 3.26Å; V390-C399 PolarHBondContact O-N 3.5Å
391A91Very high87.6Confident22 Ų2248.3 Ų48.318%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-120.5146.7177.100000112.1F359 T360 Q397F359-A391 HydrophobicContact CD1-CB 4.07Å; F359-A391 HydrophobicContact CD2-CB 4.05Å; F359-A391 HydrophobicContact CE1-CB 3.87Å; F359-A391 HydrophobicContact CE2-CB 3.89Å; F359-A391 HydrophobicContact CG-CB 4.2Å; F359-A391 HydrophobicContact CZ-CB 3.81Å; F359-A391 WeakPolarHBondContact O-CB 3.5Å; T360-A391 HydrophobicContact CG2-CB 4.39Å; A391-Q397 CarbonylContact C-O 3.51Å; A391-Q397 VanDerWaalsContact CA-O 3.29Å; A391-Q397 WeakPolarHBondContact CA-O 3.47Å
392H88Confident87.8Confident88 Ų8848.4 Ų48.441%0.40727%0.268SS..EExtended strand (participates in β ladder)trans-116.389.3166.6-58.9-68.4000108.1C394 F395 N396 Q397 C399H392-C394 PolarHBondContact O-N 2.91Å; H392-F395 HydrophobicContact CB-CD2 4.26Å; H392-F395 CarbonylContact O-C 3.57Å; H392-F395 PolarHBondContact O-N 3.44Å; H392-N396 PolarHBondContact O-N 3.14Å; H392-Q397 HydrophobicContact CB-CB 4.36Å; H392-Q397 PolarHBondContact N-O 3.37Å; H392-Q397 PolarHBondContact O-N 2.85Å; H392-C399 VanDerWaalsContact CD2-SG 3.58Å
393T84.4Confident88.4Confident34 Ų3441.9 Ų41.921%0.20924%0.237CC..G310 helixtrans-56.9-35.2-174.153.70000113.2F359 T360 F395 N396F359-T393 WeakPolarHBondContact O-CG2 3.28Å; T360-T393 WeakPolarHBondContact O-CA 3.43Å; T393-F395 PolarHBondContact O-N 2.65Å; T393-F395 VanDerWaalsContact O-N 3.08Å; T393-N396 PolarHBondContact O-N 2.97Å; T393-N396 VanDerWaalsContact O-N 3.12Å; T393-N396 PolarHBondContact O-OD1 3.12Å
394C76.7Confident89.1Confident27 Ų2747.4 Ų47.418%0.18226%0.256CS..G310 helixtrans-59.2-24.9178-60.70000113.3H392H392-C394 PolarHBondContact O-N 2.91Å
395F82.5Confident89.8Confident136 Ų13646.6 Ų46.660%0.59625%0.251SS*.G310 helixtrans-115.68.6-178.7-58.4-72.5000113.2H392 T393 Q397H392-F395 HydrophobicContact CB-CD2 4.26Å; H392-F395 CarbonylContact O-C 3.57Å; H392-F395 PolarHBondContact O-N 3.44Å; T393-F395 PolarHBondContact O-N 2.65Å; T393-F395 VanDerWaalsContact O-N 3.08Å; F395-Q397 HydrophobicContact CB-CB 4.18Å; F395-Q397 PolarHBondContact O-N 2.81Å
396N89.4Confident90.5Very high12 Ų1249 Ų496%0.06426%0.258CS..THydrogen-bonded Turntrans50.939.2-175.5-61.1-24.2000112.4T360 T361 L374 F376 K377 H392 T393T360-N396 WeakPolarHBondContact O-CA 3.19Å; T361-N396 WeakPolarHBondContact CB-OD1 3.34Å; T361-N396 HydrophobicContact CG2-CB 4.3Å; L374-N396 PolarHBondContact O-ND2 2.82Å; F376-N396 VanDerWaalsContact CD2-O 3.32Å; F376-N396 WeakPolarHBondContact CD2-O 3.33Å; K377-N396 PolarHBondContact N-O 3.15Å; H392-N396 PolarHBondContact O-N 3.14Å; T393-N396 PolarHBondContact O-N 2.97Å; T393-N396 VanDerWaalsContact O-N 3.12Å; T393-N396 PolarHBondContact O-OD1 3.12Å
397Q93Very high91Very high33 Ų3351.5 Ų51.515%0.15426%0.264CS..EExtended strand (participates in β ladder)trans-112.6128.8-168.9178.8178.8-30.500111.9K377 S379 A391 H392 F395 C399K377-Q397 HydrophobicContact CB-CB 4.35Å; K377-Q397 HydrophobicContact CB-CG 4.38Å; K377-Q397 HydrophobicContact CD-CG 4.37Å; K377-Q397 HydrophobicContact CG-CG 4.45Å; K377-Q397 CarbonylContact O-C 3.11Å; K377-Q397 WeakPolarHBondContact O-CA 3.27Å; S379-Q397 PolarHBondContact OG-NE2 2.97Å; S379-Q397 VanDerWaalsContact OG-NE2 3.07Å; A391-Q397 CarbonylContact C-O 3.51Å; A391-Q397 VanDerWaalsContact CA-O 3.29Å; A391-Q397 WeakPolarHBondContact CA-O 3.47Å; H392-Q397 HydrophobicContact CB-CB 4.36Å; H392-Q397 PolarHBondContact N-O 3.37Å; H392-Q397 PolarHBondContact O-N 2.85Å; F395-Q397 HydrophobicContact CB-CB 4.18Å; F395-Q397 PolarHBondContact O-N 2.81Å; Q397-C399 PolarHBondContact NE2-SG 3.33Å; Q397-C399 VanDerWaalsContact NE2-SG 3.36Å
398L95.8Very high91.3Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-103.1117.9169.5-17967.5000110.2F341 F359 T360 F376 K377 I378 S379 P389 L400F341-L398 HydrophobicContact CD2-CD2 4.26Å; F341-L398 HydrophobicContact CE2-CD2 3.39Å; F341-L398 HydrophobicContact CZ-CD2 3.75Å; F359-L398 HydrophobicContact CD1-CD1 4.09Å; F359-L398 HydrophobicContact CE1-CD1 3.62Å; T360-L398 HydrophobicContact CG2-CB 3.93Å; T360-L398 HydrophobicContact CG2-CD1 3.9Å; T360-L398 HydrophobicContact CG2-CG 4.36Å; F376-L398 HydrophobicContact CE2-CB 4.4Å; F376-L398 HydrophobicContact CZ-CB 4.11Å; F376-L398 HydrophobicContact CZ-CD2 4.44Å; K377-L398 PolarHBondContact O-N 3.28Å; I378-L398 CarbonylContact C-O 3.14Å; I378-L398 WeakPolarHBondContact CA-O 3.27Å; I378-L398 HydrophobicContact CG1-CB 4.47Å; S379-L398 PolarHBondContact N-O 3.27Å; P389-L398 HydrophobicContact CB-CD1 3.98Å; L398-L400 HydrophobicContact CD2-CD1 4.45Å
399C95.1Very high91.5Very high14 Ų1447.7 Ų47.710%0.09524%0.24CC..EExtended strand (participates in β ladder)trans-89.1103.8171.6-65.40000109.1S379 N381 P389 V390 H392 Q397S379-C399 CarbonylContact O-C 3.37Å; S379-C399 WeakPolarHBondContact O-CA 3.45Å; N381-C399 HydrophobicContact CB-CB 4.22Å; P389-C399 WeakPolarHBondContact CA-O 3.35Å; V390-C399 HydrophobicContact CB-CB 4.32Å; V390-C399 PolarHBondContact N-O 3.06Å; V390-C399 VanDerWaalsContact N-O 3.1Å; V390-C399 WeakPolarHBondContact O-CA 3.42Å; V390-C399 WeakPolarHBondContact O-CB 3.26Å; V390-C399 PolarHBondContact O-N 3.5Å; H392-C399 VanDerWaalsContact CD2-SG 3.58Å; Q397-C399 PolarHBondContact NE2-SG 3.33Å; Q397-C399 VanDerWaalsContact NE2-SG 3.36Å
400L95.3Very high91.7Very high0 Ų052.4 Ų52.40%026%0.26CS..EExtended strand (participates in β ladder)trans-107.5116.7-170.9-171.170.4000111Y331 T337 I338 F341 I378 S379 N381 P389 L398 Y403 L409Y331-L400 HydrophobicContact CE2-CB 4.24Å; Y331-L400 WeakPolarHBondContact CE2-O 3.4Å; Y331-L400 PolarHBondContact OH-O 2.96Å; T337-L400 HydrophobicContact CG2-CD2 3.9Å; T337-L400 HydrophobicContact CG2-CG 4.37Å; I338-L400 HydrophobicContact CD1-CD2 4.46Å; F341-L400 HydrophobicContact CB-CD2 4.15Å; F341-L400 HydrophobicContact CD2-CD1 4.47Å; F341-L400 HydrophobicContact CD2-CD2 4.04Å; F341-L400 HydrophobicContact CG-CD2 4.29Å; I378-L400 HydrophobicContact CG2-CB 3.9Å; I378-L400 HydrophobicContact CG2-CD2 4.14Å; S379-L400 PolarHBondContact O-N 3.07Å; N381-L400 PolarHBondContact N-O 3.34Å; N381-L400 VanDerWaalsContact N-O 3.13Å; P389-L400 HydrophobicContact CB-CD1 4.23Å; L398-L400 HydrophobicContact CD2-CD1 4.45Å; L400-Y403 HydrophobicContact CD1-CD2 4.23Å; L400-Y403 HydrophobicContact CD1-CE2 3.78Å; L400-Y403 HydrophobicContact CG-CE2 4.43Å; L400-L409 HydrophobicContact CD2-CD1 4.47Å
401P94.9Very high91.9Very high0 Ų054.1 Ų54.10%026%0.263CS..  trans-60.9151.6171.3-24.834.7000112.6Y331 N381 Y403Y331-P401 VanDerWaalsContact OH-C 3.22Å; Y331-P401 PolarHBondContact OH-O 3.45Å; N381-P401 HydrophobicContact CB-CG 4.43Å; P401-Y403 HydrophobicContact CB-CE1 4.06Å; P401-Y403 HydrophobicContact CB-CE2 4.14Å; P401-Y403 HydrophobicContact CG-CE1 4.39Å; P401-Y403 HydrophobicContact CG-CE2 4.26Å; P401-Y403 VanDerWaalsContact O-CD2 3.24Å; P401-Y403 WeakPolarHBondContact O-CD2 3.18Å; P401-Y403 PolarHBondContact O-N 3.05Å
402P93.9Very high92.1Very high39 Ų3955.1 Ų55.125%0.25326%0.264SS..  trans-77.166-178.232-36.8000111.8Y331 N381 T385 K404Y331-P402 WeakPolarHBondContact OH-CA 3.45Å; Y331-P402 VanDerWaalsContact OH-N 3.14Å; N381-P402 VanDerWaalsContact O-CD 3.22Å; N381-P402 WeakPolarHBondContact O-CD 3.3Å; T385-P402 HydrophobicContact CG2-CG 4.41Å; T385-P402 VanDerWaalsContact CG2-O 3.26Å; T385-P402 WeakPolarHBondContact CG2-O 3.17Å; P402-K404 PolarHBondContact O-N 3.47Å
403Y93.3Very high92.4Very high2 Ų250.9 Ų50.91%0.00824%0.244CC..  trans-58.2133.6-179.6-59.2-69.2000111.2T337 T385 C387 P389 L400 P401 L409 K412T337-Y403 PolarHBondContact OG1-O 3.19Å; T385-Y403 WeakPolarHBondContact O-CD1 3.38Å; T385-Y403 WeakPolarHBondContact O-CE1 3.47Å; C387-Y403 PolarHBondContact O-OH 2.71Å; P389-Y403 VanDerWaalsContact CD-OH 3.29Å; P389-Y403 WeakPolarHBondContact CD-OH 3.27Å; L400-Y403 HydrophobicContact CD1-CD2 4.23Å; L400-Y403 HydrophobicContact CD1-CE2 3.78Å; L400-Y403 HydrophobicContact CG-CE2 4.43Å; P401-Y403 HydrophobicContact CB-CE1 4.06Å; P401-Y403 HydrophobicContact CB-CE2 4.14Å; P401-Y403 HydrophobicContact CG-CE1 4.39Å; P401-Y403 HydrophobicContact CG-CE2 4.26Å; P401-Y403 VanDerWaalsContact O-CD2 3.24Å; P401-Y403 WeakPolarHBondContact O-CD2 3.18Å; P401-Y403 PolarHBondContact O-N 3.05Å; Y403-L409 HydrophobicContact CD2-CB 3.91Å; Y403-L409 HydrophobicContact CD2-CD1 4.11Å; Y403-L409 HydrophobicContact CD2-CG 3.83Å; Y403-L409 HydrophobicContact CE2-CG 4.47Å; Y403-L409 HydrophobicContact CG-CB 4.14Å; Y403-K412 HydrophobicContact CD1-CG 4.43Å; Y403-K412 HydrophobicContact CE1-CB 3.87Å; Y403-K412 HydrophobicContact CE1-CG 3.71Å; Y403-K412 HydrophobicContact CE2-CB 4.41Å; Y403-K412 WeakPolarHBondContact OH-CB 3.47Å
404K89.9Confident92.9Very high173 Ų17351.7 Ų51.775%0.75225%0.247SC*.SBendtrans-79.8-20.5-175-61.9-178.4-178.6178.70113.6P402P402-K404 PolarHBondContact O-N 3.47Å
405S94.4Very high93.7Very high50 Ų5053.2 Ų53.235%0.3525%0.252SS..SBendtrans-134.6147.7-178.781.80000112.3K407 D408 L409S405-K407 VanDerWaalsContact C-N 3.25Å; S405-K407 PolarHBondContact O-N 2.9Å; S405-D408 PolarHBondContact O-N 3.33Å; S405-D408 VanDerWaalsContact OG-CB 3.27Å; S405-D408 WeakPolarHBondContact OG-CB 3.44Å; S405-D408 PolarHBondContact OG-N 3Å; S405-D408 VanDerWaalsContact OG-N 3.16Å; S405-L409 PolarHBondContact O-N 3.36Å
406K95.6Very high94.1Very high84 Ų8447.1 Ų47.137%0.36523%0.227SC..Hα-helixtrans-59.8-35175.5-173.1174.2178.3171.10112.7Y340 D343 V344 K410Y340-K406 HydrophobicContact CD1-CB 3.93Å; Y340-K406 HydrophobicContact CD1-CD 4.32Å; Y340-K406 HydrophobicContact CD1-CG 4.32Å; Y340-K406 HydrophobicContact CD2-CB 4.14Å; Y340-K406 HydrophobicContact CE1-CB 4.27Å; Y340-K406 HydrophobicContact CE2-CB 4.46Å; Y340-K406 HydrophobicContact CG-CB 3.85Å; Y340-K406 HydrophobicContact CG-CG 4.33Å; D343-K406 HydrophobicContact CB-CD 4.48Å; D343-K406 IonicContact OD2-NZ 2.82Å; D343-K406 PolarHBondContact OD2-NZ 3.01Å; V344-K406 HydrophobicContact CG2-CD 4.48Å; V344-K406 HydrophobicContact CG2-CG 3.73Å; K406-K410 WeakPolarHBondContact O-CB 3.32Å; K406-K410 PolarHBondContact O-N 3.09Å
407K95.7Very high94.2Very high170 Ų17046.8 Ų46.874%0.73923%0.226SC*.Hα-helixtrans-65.3-48178.4-175.8-179.1177.1-177.30111.3S405 K410 Q411S405-K407 VanDerWaalsContact C-N 3.25Å; S405-K407 PolarHBondContact O-N 2.9Å; K407-K410 PolarHBondContact O-N 2.99Å; K407-Q411 PolarHBondContact O-N 3.31Å
408D93.8Very high94Very high43 Ų4347.6 Ų47.623%0.2324%0.235CC..Hα-helixtrans-65-45.1179.8-167.332000110.9S405 K410 Q411 K412S405-D408 PolarHBondContact O-N 3.33Å; S405-D408 VanDerWaalsContact OG-CB 3.27Å; S405-D408 WeakPolarHBondContact OG-CB 3.44Å; S405-D408 PolarHBondContact OG-N 3Å; S405-D408 VanDerWaalsContact OG-N 3.16Å; D408-K410 PolarHBondContact O-N 3.42Å; D408-Q411 PolarHBondContact O-N 3.13Å; D408-K412 WeakPolarHBondContact O-CB 3.41Å; D408-K412 VanDerWaalsContact O-CG 3.25Å; D408-K412 WeakPolarHBondContact O-CG 3.42Å; D408-K412 PolarHBondContact O-N 3.27Å
409L95.8Very high93.4Very high0 Ų053 Ų530%026%0.264CS..Hα-helixtrans-54.8-50.4172.9-173.5154.6000111.5T337 F341 V344 L400 Y403 S405 Q411 K412 L413T337-L409 HydrophobicContact CG2-CD1 4.03Å; T337-L409 WeakPolarHBondContact O-CD1 3.25Å; F341-L409 HydrophobicContact CB-CD1 4.13Å; F341-L409 HydrophobicContact CB-CD2 4.49Å; V344-L409 HydrophobicContact CB-CD2 4.22Å; V344-L409 HydrophobicContact CG1-CD2 4.35Å; V344-L409 HydrophobicContact CG2-CD2 4.18Å; L400-L409 HydrophobicContact CD2-CD1 4.47Å; Y403-L409 HydrophobicContact CD2-CB 3.91Å; Y403-L409 HydrophobicContact CD2-CD1 4.11Å; Y403-L409 HydrophobicContact CD2-CG 3.83Å; Y403-L409 HydrophobicContact CE2-CG 4.47Å; Y403-L409 HydrophobicContact CG-CB 4.14Å; S405-L409 PolarHBondContact O-N 3.36Å; L409-Q411 PolarHBondContact O-N 3.39Å; L409-K412 PolarHBondContact O-N 2.88Å; L409-L413 HydrophobicContact CD2-CB 4.49Å; L409-L413 HydrophobicContact CD2-CD2 4.28Å; L409-L413 WeakPolarHBondContact O-CB 3.22Å; L409-L413 PolarHBondContact O-N 3.1Å
410K96.5Very high92Very high104 Ų10454.3 Ų54.345%0.45227%0.273SS..Hα-helixtrans-58.8-47.7-179.5-179.7172.9179.2177.60111.5V344 F348 K406 K407 D408 I414V344-K410 HydrophobicContact CG1-CB 3.92Å; V344-K410 HydrophobicContact CG1-CD 4.4Å; V344-K410 HydrophobicContact CG1-CG 3.87Å; V344-K410 HydrophobicContact CG2-CB 3.93Å; V344-K410 HydrophobicContact CG2-CG 4.48Å; F348-K410 HydrophobicContact CE1-CG 4.27Å; K406-K410 WeakPolarHBondContact O-CB 3.32Å; K406-K410 PolarHBondContact O-N 3.09Å; K407-K410 PolarHBondContact O-N 2.99Å; D408-K410 PolarHBondContact O-N 3.42Å; K410-I414 HydrophobicContact CG-CD1 3.79Å; K410-I414 WeakPolarHBondContact O-CB 3.45Å; K410-I414 VanDerWaalsContact O-CG1 3.25Å; K410-I414 WeakPolarHBondContact O-CG1 3.4Å; K410-I414 PolarHBondContact O-N 3.38Å
411Q95.3Very high90.2Very high105 Ų10561.9 Ų61.949%0.49131%0.309SS..Hα-helixtrans-62.7-50.5-179.4-177.8177.9-8.400111.3K407 D408 L409 L413 I414 I415K407-Q411 PolarHBondContact O-N 3.31Å; D408-Q411 PolarHBondContact O-N 3.13Å; L409-Q411 PolarHBondContact O-N 3.39Å; Q411-L413 VanDerWaalsContact C-N 3.34Å; Q411-L413 PolarHBondContact O-N 2.93Å; Q411-I414 PolarHBondContact O-N 2.82Å; Q411-I415 HydrophobicContact CG-CD1 3.91Å; Q411-I415 VanDerWaalsContact O-CG1 3.25Å; Q411-I415 WeakPolarHBondContact O-CG1 3.34Å; Q411-I415 PolarHBondContact O-N 3.18Å
412K94.5Very high87.4Confident43 Ų4364.7 Ų64.719%0.18734%0.338CS..Hα-helixtrans-65.3-37.5-179.1-65.2-76179.6175.70112.1N386 L388 P389 Y403 D408 L409 I415 G416N386-K412 PolarHBondContact O-NZ 3.04Å; L388-K412 HydrophobicContact CD2-CB 4.25Å; L388-K412 HydrophobicContact CD2-CD 3.72Å; P389-K412 WeakPolarHBondContact CD-O 3.24Å; Y403-K412 HydrophobicContact CD1-CG 4.43Å; Y403-K412 HydrophobicContact CE1-CB 3.87Å; Y403-K412 HydrophobicContact CE1-CG 3.71Å; Y403-K412 HydrophobicContact CE2-CB 4.41Å; Y403-K412 WeakPolarHBondContact OH-CB 3.47Å; D408-K412 WeakPolarHBondContact O-CB 3.41Å; D408-K412 VanDerWaalsContact O-CG 3.25Å; D408-K412 WeakPolarHBondContact O-CG 3.42Å; D408-K412 PolarHBondContact O-N 3.27Å; L409-K412 PolarHBondContact O-N 2.88Å; K412-I415 PolarHBondContact O-N 3.47Å; K412-G416 PolarHBondContact O-N 3.49Å
413L94.9Very high84.5Confident0 Ų072 Ų720%037%0.366CS..Hα-helixtrans-65.6-47.2176-173.163.4000111.5F341 V344 V345 F348 L356 P389 L409 Q411 I415 G416 I417F341-L413 HydrophobicContact CD2-CD2 4.08Å; F341-L413 HydrophobicContact CE2-CD1 4.33Å; F341-L413 HydrophobicContact CE2-CD2 3.9Å; V344-L413 HydrophobicContact CG1-CD2 4.4Å; V345-L413 HydrophobicContact CG2-CD2 3.86Å; F348-L413 HydrophobicContact CE2-CD2 3.9Å; F348-L413 HydrophobicContact CE2-CG 4.43Å; F348-L413 HydrophobicContact CZ-CD2 4.06Å; L356-L413 HydrophobicContact CD1-CD1 4.01Å; P389-L413 HydrophobicContact CG-CD1 4.04Å; L409-L413 HydrophobicContact CD2-CB 4.49Å; L409-L413 HydrophobicContact CD2-CD2 4.28Å; L409-L413 WeakPolarHBondContact O-CB 3.22Å; L409-L413 PolarHBondContact O-N 3.1Å; Q411-L413 VanDerWaalsContact C-N 3.34Å; Q411-L413 PolarHBondContact O-N 2.93Å; L413-I415 VanDerWaalsContact C-N 3.31Å; L413-I415 PolarHBondContact O-N 2.8Å; L413-G416 PolarHBondContact O-N 3.42Å; L413-I417 HydrophobicContact CD1-CG2 4.11Å; L413-I417 HydrophobicContact CG-CG2 4.44Å; L413-I417 WeakPolarHBondContact O-CG1 3.23Å; L413-I417 WeakPolarHBondContact O-CG2 3.39Å; L413-I417 PolarHBondContact O-N 3.33Å
414I94.8Very high81.4Confident51 Ų5175.6 Ų75.626%0.26240%0.403SS..Hα-helixtrans-59.4-44.7176.8-70.7168.9000110.6F348 K410 Q411 I417 S418F348-I414 HydrophobicContact CE1-CD1 4.06Å; F348-I414 HydrophobicContact CE1-CG1 3.99Å; F348-I414 HydrophobicContact CZ-CD1 4.34Å; F348-I414 HydrophobicContact CZ-CG1 3.77Å; K410-I414 HydrophobicContact CG-CD1 3.79Å; K410-I414 WeakPolarHBondContact O-CB 3.45Å; K410-I414 VanDerWaalsContact O-CG1 3.25Å; K410-I414 WeakPolarHBondContact O-CG1 3.4Å; K410-I414 PolarHBondContact O-N 3.38Å; Q411-I414 PolarHBondContact O-N 2.82Å; I414-I417 WeakPolarHBondContact O-CG1 3.16Å; I414-S418 WeakPolarHBondContact O-CB 3.27Å; I414-S418 PolarHBondContact O-N 3.46Å; I414-S418 PolarHBondContact O-OG 2.7Å
415I92.9Very high78.4Confident59 Ų5973.8 Ų73.830%0.30340%0.401SS..Hα-helixtrans-60.9-48.1176.6-66.4165000110L388 Q411 K412 L413 S418 N419L388-I415 HydrophobicContact CD1-CG2 3.85Å; L388-I415 HydrophobicContact CD2-CB 3.91Å; L388-I415 HydrophobicContact CD2-CG2 3.65Å; L388-I415 HydrophobicContact CG-CG2 4.44Å; Q411-I415 HydrophobicContact CG-CD1 3.91Å; Q411-I415 VanDerWaalsContact O-CG1 3.25Å; Q411-I415 WeakPolarHBondContact O-CG1 3.34Å; Q411-I415 PolarHBondContact O-N 3.18Å; K412-I415 PolarHBondContact O-N 3.47Å; L413-I415 VanDerWaalsContact C-N 3.31Å; L413-I415 PolarHBondContact O-N 2.8Å; I415-S418 PolarHBondContact O-N 3.42Å; I415-N419 WeakPolarHBondContact O-CB 3.3Å; I415-N419 PolarHBondContact O-N 2.78Å; I415-N419 VanDerWaalsContact O-N 3.13Å; I415-N419 PolarHBondContact O-ND2 3.27Å
416G90.8Very high75.2Confident7 Ų783.8 Ų83.87%0.07244%0.442CS..Hα-helixtrans-58.3-53179.400000112.6K412 L413 S418 S420K412-G416 PolarHBondContact O-N 3.49Å; L413-G416 PolarHBondContact O-N 3.42Å; G416-S418 PolarHBondContact O-N 3.22Å; G416-S420 VanDerWaalsContact O-CB 3.31Å; G416-S420 WeakPolarHBondContact O-CB 3.13Å; G416-S420 PolarHBondContact O-N 3.19Å
417I93.2Very high74.2Confident5 Ų583.8 Ų83.83%0.02645%0.446CS..Hα-helixtrans-69.6-31.8-176.969.5-174.3000112.5F348 L352 K355 L356 F359 L413 I414 S420F348-I417 HydrophobicContact CE2-CD1 4.09Å; L352-I417 HydrophobicContact CD2-CD1 4.07Å; K355-I417 HydrophobicContact CB-CB 4.38Å; K355-I417 HydrophobicContact CB-CD1 4.33Å; K355-I417 HydrophobicContact CB-CG1 4.33Å; L356-I417 HydrophobicContact CB-CD1 4.49Å; L356-I417 HydrophobicContact CB-CG2 4.28Å; L356-I417 HydrophobicContact CD1-CG2 3.83Å; F359-I417 HydrophobicContact CB-CB 4.23Å; F359-I417 HydrophobicContact CB-CG2 3.94Å; F359-I417 HydrophobicContact CD1-CG2 3.67Å; F359-I417 HydrophobicContact CE1-CG2 4.43Å; F359-I417 HydrophobicContact CG-CB 4.49Å; F359-I417 HydrophobicContact CG-CG2 3.98Å; L413-I417 HydrophobicContact CD1-CG2 4.11Å; L413-I417 HydrophobicContact CG-CG2 4.44Å; L413-I417 WeakPolarHBondContact O-CG1 3.23Å; L413-I417 WeakPolarHBondContact O-CG2 3.39Å; L413-I417 PolarHBondContact O-N 3.33Å; I414-I417 WeakPolarHBondContact O-CG1 3.16Å; I417-S420 PolarHBondContact O-OG 3.49Å
418S88.1Confident73.1Confident51 Ų5179.3 Ų79.336%0.35743%0.431SS..Hα-helixtrans-81.7-19.3-177.4-51.10000113.8I414 I415 G416I414-S418 WeakPolarHBondContact O-CB 3.27Å; I414-S418 PolarHBondContact O-N 3.46Å; I414-S418 PolarHBondContact O-OG 2.7Å; I415-S418 PolarHBondContact O-N 3.42Å; G416-S418 PolarHBondContact O-N 3.22Å
419N82.6Confident71.9Confident114 Ų11481.3 Ų81.361%0.6144%0.442SS*.THydrogen-bonded Turntrans-115.821.3-177.7-60.9-80.9000112.1I415I415-N419 WeakPolarHBondContact O-CB 3.3Å; I415-N419 PolarHBondContact O-N 2.78Å; I415-N419 VanDerWaalsContact O-N 3.13Å; I415-N419 PolarHBondContact O-ND2 3.27Å
420S66.8Low70.5Confident41 Ų4186.1 Ų86.129%0.28747%0.468SS..  trans-89.9-14.2-174.360.60000115.2F359 G416 I417 G422F359-S420 WeakPolarHBondContact CD2-OG 3.49Å; G416-S420 VanDerWaalsContact O-CB 3.31Å; G416-S420 WeakPolarHBondContact O-CB 3.13Å; G416-S420 PolarHBondContact O-N 3.19Å; I417-S420 PolarHBondContact O-OG 3.49Å; S420-G422 PolarHBondContact O-N 3.16Å
421E56.7Low68.9Low159 Ų15984.9 Ų84.974%0.74347%0.469SS*.SBendtrans-69.189.7157.4-68.8174.9-169.400105.7F423E421-F423 PolarHBondContact O-N 2.96Å
422G36.8Very low67.2Low59 Ų5983.6 Ų83.661%0.60847%0.468SS*.THydrogen-bonded Turntrans-49.4129.2-16900000111.5S420 G424S420-G422 PolarHBondContact O-N 3.16Å; G422-G424 VanDerWaalsContact C-N 3.27Å; G422-G424 PolarHBondContact O-N 3.04Å
423F31.7Very low65.2Low193 Ų19386.5 Ų86.585%0.84649%0.488SS*.THydrogen-bonded Turntrans36.555164.9-70.4-87.7000114.6E421 L425E421-F423 PolarHBondContact O-N 2.96Å; F423-L425 HydrophobicContact CD1-CD1 4.07Å; F423-L425 PolarHBondContact O-N 3.09Å
424G28.7Very low62.9Low77 Ų7793.2 Ų93.279%0.79453%0.525SS*.  trans-68.471.6145.900000108.2G422G422-G424 VanDerWaalsContact C-N 3.27Å; G422-G424 PolarHBondContact O-N 3.04Å
425L26.9Very low60.3Low134 Ų13496.7 Ų96.770%0.70255%0.547SS*.  trans-74.2122.6151.7-82.3159.9000105F423F423-L425 HydrophobicContact CD1-CD1 4.07Å; F423-L425 PolarHBondContact O-N 3.09Å
426E28Very low57.3Low261 Ų261100.1 Ų100.1100%1.2257%0.569SS**  trans120156.5-66177157.600118.5

Retrieved 426 of 426 residues in 277.7 ms (Link to these results)

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