A0A087XYS8_POEFO Loading...

Alpha-N-acetylglucosaminidase

AlphaFold DB , UniProt , Accession A0A087XYS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 621 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
1F28.3Very low70.2Confident252 Ų25284.6 Ų84.6100%1.10538%0.383SS*.  0109.80-86.8-99.5000107.9
2Y31.1Very low72.5Confident191 Ų19177.7 Ų77.775%0.74935%0.352SS*.  trans24.198.8172.7-55.4-83.6000119.8V4Y2-V4 VanDerWaalsContact C-N 3.27Å; Y2-V4 PolarHBondContact O-N 2.91Å
3L34.9Very low74.5Confident152 Ų15271.9 Ų71.980%0.79633%0.326SS*.  trans-60.390150.7-88.2149.2000107.8V5L3-V5 PolarHBondContact O-N 2.74Å
4V47.3Very low76.1Confident54 Ų5467.2 Ų67.233%0.32731%0.305SS..  trans-71117.1167.9-168.30000106.6Y2 S6 W342Y2-V4 VanDerWaalsContact C-N 3.27Å; Y2-V4 PolarHBondContact O-N 2.91Å; V4-S6 WeakPolarHBondContact CG1-O 3.43Å; V4-S6 PolarHBondContact O-N 2.88Å; V4-W342 HydrophobicContact CG1-CZ3 4.41Å; V4-W342 HydrophobicContact CG2-CH2 4.4Å; V4-W342 HydrophobicContact CG2-CZ3 3.95Å
5V66.2Low77.6Confident56 Ų5663.1 Ų63.134%0.33929%0.287SS..SBendtrans-63-30.2-171.6178.80000111.5L3 L310 K344L3-V5 PolarHBondContact O-N 2.74Å; V5-L310 HydrophobicContact CG1-CD2 4.17Å; V5-K344 HydrophobicContact CG2-CG 3.63Å
6S77.8Confident78.9Confident13 Ų1359.1 Ų59.19%0.09127%0.269CS..  trans-104134.8175.9-55.20000111.1V4 R9V4-S6 WeakPolarHBondContact CG1-O 3.43Å; V4-S6 PolarHBondContact O-N 2.88Å; S6-R9 PolarHBondContact O-NH1 3Å
7R92.8Very high80Confident174 Ų17456.7 Ų56.766%0.65726%0.26SS*.SBendtrans-70.6-43.6171.8179.5-179.3179176.1-0.9110.4R9 N42 V318R7-R9 PolarHBondContact O-NH2 3.01Å; R7-N42 PolarHBondContact O-ND2 3.29Å; R7-V318 WeakPolarHBondContact CA-O 3.28Å; R7-V318 VanDerWaalsContact CB-O 3.26Å; R7-V318 WeakPolarHBondContact CB-O 3.25Å; R7-V318 PolarHBondContact N-O 2.98Å
8F97.8Very high81Confident8 Ų853.6 Ų53.64%0.03525%0.245CC..EExtended strand (participates in β ladder)trans-114.3140.5179-60-64.7000112.6N42 L43 I118 I187 I258 I282 V318 G319 I320F8-N42 WeakPolarHBondContact CA-OD1 3.46Å; F8-L43 HydrophobicContact CB-CB 4.41Å; F8-L43 HydrophobicContact CB-CD2 4.04Å; F8-L43 HydrophobicContact CD1-CB 4.09Å; F8-L43 HydrophobicContact CD1-CD1 4.21Å; F8-L43 HydrophobicContact CD1-CD2 3.87Å; F8-L43 HydrophobicContact CD1-CG 4.29Å; F8-L43 HydrophobicContact CE1-CD1 4.29Å; F8-L43 HydrophobicContact CE1-CD2 4.45Å; F8-L43 HydrophobicContact CG-CD2 3.9Å; F8-I118 HydrophobicContact CE1-CD1 4.19Å; F8-I187 HydrophobicContact CE1-CD1 4.36Å; F8-I187 HydrophobicContact CZ-CD1 4.3Å; F8-I258 HydrophobicContact CD2-CD1 4.29Å; F8-I258 HydrophobicContact CE2-CD1 3.69Å; F8-I258 HydrophobicContact CZ-CD1 4.24Å; F8-I282 HydrophobicContact CB-CD1 3.88Å; F8-I282 HydrophobicContact CD2-CD1 4.43Å; F8-I282 HydrophobicContact CG-CD1 4.42Å; F8-V318 HydrophobicContact CD2-CB 4.24Å; F8-V318 HydrophobicContact CD2-CG2 4Å; F8-V318 HydrophobicContact CE2-CG2 4.41Å; F8-V318 PolarHBondContact N-O 3.48Å; F8-G319 CarbonylContact O-C 3.6Å; F8-G319 WeakPolarHBondContact O-CA 3.12Å; F8-I320 PolarHBondContact O-N 3.46Å
9R98.3Very high82Confident24 Ų2451.1 Ų51.19%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-120.797.3165.4-72.3147.9-63.1-77.5-7.6106.3S6 R7 G40 I41 N42 L43 I320 A341S6-R9 PolarHBondContact O-NH1 3Å; R7-R9 PolarHBondContact O-NH2 3.01Å; R9-G40 WeakPolarHBondContact CD-O 3.17Å; R9-G40 PolarHBondContact NE-O 3.27Å; R9-I41 HydrophobicContact CB-CD1 4.12Å; R9-N42 PolarHBondContact N-OD1 3.36Å; R9-N42 VanDerWaalsContact NH2-CG 3.27Å; R9-N42 PolarHBondContact NH2-ND2 2.91Å; R9-N42 PolarHBondContact NH2-OD1 3.49Å; R9-N42 PolarHBondContact O-N 3.19Å; R9-N42 PolarHBondContact O-OD1 3.32Å; R9-L43 PolarHBondContact O-N 2.97Å; R9-L43 VanDerWaalsContact O-N 3.17Å; R9-I320 VanDerWaalsContact CA-O 3.29Å; R9-I320 WeakPolarHBondContact CA-O 3.37Å; R9-A341 HydrophobicContact CG-CB 3.6Å
10Y98.8Very high82.8Confident2 Ų249.1 Ų49.11%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-88.4145.6-172.3171.9-89.7000111.1Q12 L43 L45 L227 L260 I320 G321 M322 T323Y10-Q12 WeakPolarHBondContact CE1-O 3.44Å; Y10-Q12 PolarHBondContact OH-O 2.96Å; Y10-L43 WeakPolarHBondContact CA-O 3.48Å; Y10-L43 HydrophobicContact CD2-CD2 4.05Å; Y10-L43 HydrophobicContact CD2-CG 4.15Å; Y10-L43 WeakPolarHBondContact CD2-O 3.43Å; Y10-L45 HydrophobicContact CE2-CD2 3.88Å; Y10-L45 HydrophobicContact CE2-CG 4.06Å; Y10-L45 VanDerWaalsContact OH-CD1 3.23Å; Y10-L45 WeakPolarHBondContact OH-CD1 3.46Å; Y10-L45 WeakPolarHBondContact OH-CD2 3.44Å; Y10-L45 WeakPolarHBondContact OH-CG 3.42Å; Y10-L227 HydrophobicContact CD2-CD2 4.02Å; Y10-L227 HydrophobicContact CE2-CD2 3.58Å; Y10-L260 HydrophobicContact CD1-CD2 3.97Å; Y10-L260 HydrophobicContact CD2-CD2 4.05Å; Y10-L260 HydrophobicContact CE1-CD1 3.91Å; Y10-L260 HydrophobicContact CE1-CD2 4.12Å; Y10-L260 HydrophobicContact CE2-CD1 4Å; Y10-L260 HydrophobicContact CE2-CD2 4.17Å; Y10-L260 HydrophobicContact CG-CD2 3.93Å; Y10-I320 PolarHBondContact N-O 3.07Å; Y10-G321 CarbonylContact O-C 3.42Å; Y10-G321 WeakPolarHBondContact O-CA 3.42Å; Y10-M322 PolarHBondContact O-N 3.27Å; Y10-T323 HydrophobicContact CD1-CG2 3.96Å; Y10-T323 HydrophobicContact CE1-CG2 3.48Å; Y10-T323 VanDerWaalsContact CE1-CG2 3.48Å
11Y98.8Very high83.5Confident5 Ų547.1 Ų47.12%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-141.7145.4175.2-179-134000111.9E32 W35 M36 L43 L45 M322 P324 I327Y11-E32 HydrophobicContact CE1-CG 4.28Å; Y11-E32 WeakPolarHBondContact CE1-OE1 3.5Å; Y11-E32 PolarHBondContact OH-OE1 3.25Å; Y11-W35 HydrophobicContact CD1-CZ3 4.31Å; Y11-W35 HydrophobicContact CE1-CE3 4.34Å; Y11-W35 AromaticContact CE1-CZ3 3.89Å; Y11-W35 HydrophobicContact CE1-CZ3 3.89Å; Y11-W35 HydrophobicContact CE2-CZ3 4.19Å; Y11-W35 AromaticContact CZ-CZ3 3.83Å; Y11-M36 HydrophobicContact CD1-CE 3.75Å; Y11-M36 HydrophobicContact CD1-CG 3.61Å; Y11-M36 HydrophobicContact CD1-SD 3.88Å; Y11-M36 HydrophobicContact CE1-CE 3.78Å; Y11-M36 HydrophobicContact CE1-CG 3.94Å; Y11-M36 HydrophobicContact CE1-SD 4.39Å; Y11-L43 PolarHBondContact N-O 3.34Å; Y11-L45 PolarHBondContact O-N 2.9Å; Y11-M322 WeakPolarHBondContact CA-O 3.25Å; Y11-M322 HydrophobicContact CD2-CB 4Å; Y11-M322 HydrophobicContact CD2-CE 4.29Å; Y11-P324 HydrophobicContact CE2-CG 4.45Å; Y11-I327 HydrophobicContact CE2-CG2 4.47Å; Y11-I327 WeakPolarHBondContact OH-CG2 3.32Å
12Q98Very high86.9Confident1 Ų135.4 Ų35.41%0.00517%0.166CC..  trans96.7148.1173.9-52.7164.141.200113.8Y10 F21 L45 M322Y10-Q12 WeakPolarHBondContact CE1-O 3.44Å; Y10-Q12 PolarHBondContact OH-O 2.96Å; Q12-F21 HydrophobicContact CB-CE2 4.44Å; Q12-F21 HydrophobicContact CG-CE2 3.88Å; Q12-F21 HydrophobicContact CG-CZ 4.03Å; Q12-L45 HydrophobicContact CB-CB 4.19Å; Q12-L45 HydrophobicContact CB-CD1 4.18Å; Q12-L45 HydrophobicContact CB-CG 4.25Å; Q12-L45 PolarHBondContact NE2-O 3.46Å; Q12-L45 PolarHBondContact OE1-O 3.25Å; Q12-L45 VanDerWaalsContact OE1-O 3.11Å; Q12-M322 PolarHBondContact N-O 2.94Å
13N98.4Very high90.1Very high3 Ų326.5 Ų26.52%0.01613%0.131CC..  trans-100.1155.5163.6-162.9-60.8000108.2C15 T16 T323 P324N13-C15 HydrophobicContact CB-CB 4.39Å; N13-C15 PolarHBondContact O-N 2.82Å; N13-C15 WeakPolarHBondContact OD1-CB 3.34Å; N13-C15 PolarHBondContact OD1-N 3.36Å; N13-C15 PolarHBondContact OD1-SG 3.11Å; N13-T16 WeakPolarHBondContact CA-OG1 3.32Å; N13-T16 VanDerWaalsContact CB-OG1 3.3Å; N13-T16 WeakPolarHBondContact CB-OG1 3.43Å; N13-T16 PolarHBondContact N-OG1 3.11Å; N13-T16 WeakPolarHBondContact O-CB 3.31Å; N13-T16 PolarHBondContact O-N 2.67Å; N13-T16 PolarHBondContact O-OG1 3.43Å; N13-T323 WeakPolarHBondContact CB-O 3.49Å; N13-T323 PolarHBondContact ND2-O 2.9Å; N13-P324 VanDerWaalsContact CB-O 3.26Å; N13-P324 WeakPolarHBondContact CB-O 3.5Å
14V97.4Very high93.1Very high6 Ų619.4 Ų19.44%0.0369%0.094CC..THydrogen-bonded Turntrans-58.3-27.6167.5-59.50000111.6V17 L45 F47 A79 M83V14-V17 WeakPolarHBondContact O-CG2 3.49Å; V14-L45 HydrophobicContact CG1-CD1 4.12Å; V14-F47 HydrophobicContact CG1-CE2 3.81Å; V14-A79 VanDerWaalsContact O-CB 3.25Å; V14-A79 WeakPolarHBondContact O-CB 3.27Å; V14-M83 HydrophobicContact CG2-CE 3.99Å; V14-M83 HydrophobicContact CG2-CG 4.18Å; V14-M83 HydrophobicContact CG2-SD 3.42Å; V14-M83 WeakPolarHBondContact CG2-SD 3.48Å
15C98.4Very high95.5Very high5 Ų520.5 Ų20.53%0.03410%0.098CC..THydrogen-bonded Turntrans-70.5-30.2174.1-64.10000113.8N13 V17 S18 Y19 E325N13-C15 HydrophobicContact CB-CB 4.39Å; N13-C15 PolarHBondContact O-N 2.82Å; N13-C15 WeakPolarHBondContact OD1-CB 3.34Å; N13-C15 PolarHBondContact OD1-N 3.36Å; N13-C15 PolarHBondContact OD1-SG 3.11Å; C15-V17 PolarHBondContact O-N 3.32Å; C15-V17 VanDerWaalsContact O-N 3.16Å; C15-S18 PolarHBondContact O-N 3.35Å; C15-Y19 HydrophobicContact CB-CD2 4.03Å; C15-Y19 HydrophobicContact CB-CE2 4.17Å; C15-Y19 PolarHBondContact O-N 3.03Å; C15-Y19 VanDerWaalsContact O-N 3.08Å; C15-E325 CarbonylContact C-O 3.54Å; C15-E325 HydrophobicContact CB-CB 3.81Å; C15-E325 HydrophobicContact CB-CG 3.8Å
16T98.6Very high97Very high0 Ų020.2 Ų20.20%09%0.09CC..Hα-helixtrans-61.7-30.2-174.9-29.50000112.5N13 S18 S20 F21 P324 E325 I327N13-T16 WeakPolarHBondContact CA-OG1 3.32Å; N13-T16 VanDerWaalsContact CB-OG1 3.3Å; N13-T16 WeakPolarHBondContact CB-OG1 3.43Å; N13-T16 PolarHBondContact N-OG1 3.11Å; N13-T16 WeakPolarHBondContact O-CB 3.31Å; N13-T16 PolarHBondContact O-N 2.67Å; N13-T16 PolarHBondContact O-OG1 3.43Å; T16-S18 PolarHBondContact O-N 3.46Å; T16-S20 PolarHBondContact O-N 3.32Å; T16-F21 HydrophobicContact CG2-CD1 4.29Å; T16-F21 HydrophobicContact CG2-CE1 3.51Å; T16-F21 HydrophobicContact CG2-CE2 3.77Å; T16-F21 HydrophobicContact CG2-CZ 3.21Å; T16-F21 WeakPolarHBondContact O-CG 3.23Å; T16-F21 PolarHBondContact O-N 3.34Å; T16-P324 PolarHBondContact OG1-O 3.38Å; T16-E325 WeakPolarHBondContact CA-O 3.3Å; T16-E325 PolarHBondContact N-O 3.37Å; T16-I327 HydrophobicContact CG2-CG1 4.45Å; T16-I327 HydrophobicContact CG2-CG2 3.86Å
17V97Very high98Very high18 Ų1823.2 Ų23.211%0.10911%0.11CC..Hα-helixtrans-59.5-30.1175.8-50.40000112.6V14 C15 F21 V22 F47 A79V14-V17 WeakPolarHBondContact O-CG2 3.49Å; C15-V17 PolarHBondContact O-N 3.32Å; C15-V17 VanDerWaalsContact O-N 3.16Å; V17-F21 HydrophobicContact CB-CD2 4.44Å; V17-F21 HydrophobicContact CG1-CD2 4.22Å; V17-V22 WeakPolarHBondContact O-CA 3.14Å; V17-V22 WeakPolarHBondContact O-CB 3.25Å; V17-V22 PolarHBondContact O-N 3.04Å; V17-F47 HydrophobicContact CG1-CB 4.29Å; V17-A79 HydrophobicContact CG2-CB 4.12Å
18S98.5Very high98.3Very high0 Ų016.7 Ų16.70%09%0.085CC..Hα-helixtrans-96.9-47.2-177.8-64.40000111.1C15 T16 S20 V22 A76 A79 Q523C15-S18 PolarHBondContact O-N 3.35Å; T16-S18 PolarHBondContact O-N 3.46Å; S18-S20 VanDerWaalsContact C-N 3.33Å; S18-S20 PolarHBondContact O-N 3.08Å; S18-V22 WeakPolarHBondContact O-CG1 3.5Å; S18-A76 WeakPolarHBondContact CB-O 3.4Å; S18-A79 VanDerWaalsContact OG-CB 3.28Å; S18-A79 WeakPolarHBondContact OG-CB 3.42Å; S18-A79 PolarHBondContact OG-N 2.77Å; S18-Q523 PolarHBondContact O-NE2 2.61Å
19Y98.7Very high98.3Very high6 Ų616.6 Ų16.62%0.0249%0.085CC..Hα-helixtrans-78.7-13.3-176.1-67.8-49.2000114.9C15 W80 E325 Q523 W527 Y536 A537C15-Y19 HydrophobicContact CB-CD2 4.03Å; C15-Y19 HydrophobicContact CB-CE2 4.17Å; C15-Y19 PolarHBondContact O-N 3.03Å; C15-Y19 VanDerWaalsContact O-N 3.08Å; Y19-W80 HydrophobicContact CD1-CH2 4.11Å; Y19-W80 HydrophobicContact CD2-CH2 4.12Å; Y19-W80 HydrophobicContact CD2-CZ2 4.29Å; Y19-W80 AromaticContact CE1-CH2 3.42Å; Y19-W80 HydrophobicContact CE1-CH2 3.42Å; Y19-W80 VanDerWaalsContact CE1-CH2 3.42Å; Y19-W80 HydrophobicContact CE1-CZ2 4.07Å; Y19-W80 HydrophobicContact CE1-CZ3 4.36Å; Y19-W80 AromaticContact CE2-CH2 3.5Å; Y19-W80 HydrophobicContact CE2-CH2 3.5Å; Y19-W80 VanDerWaalsContact CE2-CH2 3.5Å; Y19-W80 AromaticContact CE2-CZ2 3.38Å; Y19-W80 HydrophobicContact CE2-CZ2 3.38Å; Y19-W80 HydrophobicContact CG-CH2 4.41Å; Y19-W80 AromaticContact CZ-CH2 3.1Å; Y19-W80 AromaticContact CZ-CZ2 3.25Å; Y19-W80 VanDerWaalsContact OH-CH2 3.23Å; Y19-W80 WeakPolarHBondContact OH-CH2 3.25Å; Y19-W80 WeakPolarHBondContact OH-CZ2 3.27Å; Y19-E325 HydrophobicContact CD2-CB 4.03Å; Y19-E325 WeakPolarHBondContact CD2-O 3.22Å; Y19-E325 HydrophobicContact CE2-CB 4.29Å; Y19-Q523 HydrophobicContact CD1-CG 3.96Å; Y19-Q523 HydrophobicContact CE1-CG 3.91Å; Y19-W527 AromaticContact CE1-NE1 3.88Å; Y19-W527 AromaticContact CZ-NE1 3.8Å; Y19-W527 PolarHBondContact OH-NE1 3.5Å; Y19-Y536 HydrophobicContact CE2-CE1 4.09Å; Y19-Y536 AromaticContact CZ-CD1 3.92Å; Y19-Y536 AromaticContact CZ-CE1 3.89Å; Y19-Y536 WeakPolarHBondContact OH-CD1 3.34Å; Y19-Y536 WeakPolarHBondContact OH-CE1 3.48Å; Y19-A537 HydrophobicContact CD1-CB 3.7Å; Y19-A537 HydrophobicContact CE1-CB 3.23Å
20S98.6Very high98.3Very high11 Ų1119 Ų198%0.07710%0.097CC..THydrogen-bonded Turntrans-134.9-48.7-178.4-57.70000112.9T16 S18 W24 G326 I327T16-S20 PolarHBondContact O-N 3.32Å; S18-S20 VanDerWaalsContact C-N 3.33Å; S18-S20 PolarHBondContact O-N 3.08Å; S20-W24 PolarHBondContact O-NE1 3.28Å; S20-G326 WeakPolarHBondContact OG-CA 3.43Å; S20-I327 PolarHBondContact OG-N 3.38Å; S20-I327 VanDerWaalsContact OG-N 3.11Å
21F98.4Very high98.3Very high9 Ų926 Ų264%0.03913%0.127CC..SBendtrans-88.4-15.7-165.9-45.6-26.2000114.8Q12 T16 V17 W23 W24 W29 I327Q12-F21 HydrophobicContact CB-CE2 4.44Å; Q12-F21 HydrophobicContact CG-CE2 3.88Å; Q12-F21 HydrophobicContact CG-CZ 4.03Å; T16-F21 HydrophobicContact CG2-CD1 4.29Å; T16-F21 HydrophobicContact CG2-CE1 3.51Å; T16-F21 HydrophobicContact CG2-CE2 3.77Å; T16-F21 HydrophobicContact CG2-CZ 3.21Å; T16-F21 WeakPolarHBondContact O-CG 3.23Å; T16-F21 PolarHBondContact O-N 3.34Å; V17-F21 HydrophobicContact CB-CD2 4.44Å; V17-F21 HydrophobicContact CG1-CD2 4.22Å; F21-W23 PolarHBondContact O-N 3.01Å; F21-W24 HydrophobicContact CB-CD2 4.1Å; F21-W24 HydrophobicContact CB-CE3 4.07Å; F21-W24 HydrophobicContact CB-CG 4.46Å; F21-W24 HydrophobicContact CB-CZ3 4.5Å; F21-W24 AromaticContact CD1-CD2 3.95Å; F21-W24 HydrophobicContact CD1-CD2 3.95Å; F21-W24 AromaticContact CD1-CE2 3.78Å; F21-W24 AromaticContact CD1-CE3 3.72Å; F21-W24 HydrophobicContact CD1-CE3 3.72Å; F21-W24 AromaticContact CD1-CH2 3.2Å; F21-W24 HydrophobicContact CD1-CH2 3.2Å; F21-W24 AromaticContact CD1-CZ2 3.43Å; F21-W24 HydrophobicContact CD1-CZ2 3.43Å; F21-W24 VanDerWaalsContact CD1-CZ2 3.43Å; F21-W24 AromaticContact CD1-CZ3 3.33Å; F21-W24 HydrophobicContact CD1-CZ3 3.33Å; F21-W24 HydrophobicContact CE1-CE3 4.44Å; F21-W24 AromaticContact CE1-CH2 3.25Å; F21-W24 HydrophobicContact CE1-CH2 3.25Å; F21-W24 AromaticContact CE1-CZ2 3.79Å; F21-W24 HydrophobicContact CE1-CZ2 3.79Å; F21-W24 AromaticContact CE1-CZ3 3.61Å; F21-W24 HydrophobicContact CE1-CZ3 3.61Å; F21-W24 HydrophobicContact CG-CD2 4.39Å; F21-W24 HydrophobicContact CG-CE3 4.06Å; F21-W24 HydrophobicContact CG-CH2 4.27Å; F21-W24 AromaticContact CG-CZ3 3.99Å; F21-W24 HydrophobicContact CG-CZ3 3.99Å; F21-W24 HydrophobicContact CZ-CH2 4.34Å; F21-W24 HydrophobicContact CZ-CZ3 4.45Å; F21-W24 VanDerWaalsContact O-CB 3.29Å; F21-W24 WeakPolarHBondContact O-CB 3.37Å; F21-W24 PolarHBondContact O-N 3.23Å; F21-W29 HydrophobicContact CB-CZ2 3.93Å; F21-W29 AromaticContact CD2-CH2 3.77Å; F21-W29 HydrophobicContact CD2-CH2 3.77Å; F21-W29 AromaticContact CD2-CZ2 3.82Å; F21-W29 HydrophobicContact CD2-CZ2 3.82Å; F21-W29 HydrophobicContact CE2-CH2 4.11Å; F21-W29 HydrophobicContact CG-CH2 4.31Å; F21-W29 HydrophobicContact CG-CZ2 4.02Å; F21-I327 HydrophobicContact CE1-CD1 3.79Å; F21-I327 HydrophobicContact CE1-CG1 4.09Å
22V98.4Very high98.3Very high6 Ų626.3 Ų26.34%0.03613%0.129CC..THydrogen-bonded Turntrans-51.6-34.4-168.659.40000113.4V17 S18 P75 W97 W499V17-V22 WeakPolarHBondContact O-CA 3.14Å; V17-V22 WeakPolarHBondContact O-CB 3.25Å; V17-V22 PolarHBondContact O-N 3.04Å; S18-V22 WeakPolarHBondContact O-CG1 3.5Å; V22-P75 VanDerWaalsContact CG2-C 3.45Å; V22-P75 HydrophobicContact CG2-CB 3.6Å; V22-P75 VanDerWaalsContact CG2-O 3.29Å; V22-P75 WeakPolarHBondContact CG2-O 3.43Å; V22-W97 HydrophobicContact CG2-CH2 3.81Å; V22-W97 VanDerWaalsContact O-CH2 3.3Å; V22-W97 WeakPolarHBondContact O-CH2 3.4Å; V22-W499 HydrophobicContact CG1-CH2 3.54Å; V22-W499 HydrophobicContact CG1-CZ2 4.05Å; V22-W499 HydrophobicContact CG1-CZ3 4.42Å
23W98.3Very high98.4Very high3 Ų326.2 Ų26.21%0.01113%0.129CC..THydrogen-bonded Turntrans-104.812.8-179.1-46.1127.6000114.1F21 P75 A76 W97 W499 R502 A503 K506 Y516 N519 A520F21-W23 PolarHBondContact O-N 3.01Å; W23-P75 HydrophobicContact CH2-CB 3.67Å; W23-P75 HydrophobicContact CH2-CG 4.09Å; W23-P75 HydrophobicContact CZ3-CB 3.79Å; W23-P75 HydrophobicContact CZ3-CG 4.18Å; W23-A76 HydrophobicContact CZ2-CB 4.31Å; W23-W97 HydrophobicContact CE3-CZ3 4.3Å; W23-W97 HydrophobicContact CZ3-CZ3 4Å; W23-W499 AromaticContact CD1-CD2 3.79Å; W23-W499 AromaticContact CD1-CE2 3.66Å; W23-W499 AromaticContact CD1-CE3 3.71Å; W23-W499 AromaticContact CD1-CH2 3.44Å; W23-W499 VanDerWaalsContact CD1-CH2 3.44Å; W23-W499 AromaticContact CD1-CZ2 3.5Å; W23-W499 VanDerWaalsContact CD1-CZ2 3.5Å; W23-W499 AromaticContact CD1-CZ3 3.54Å; W23-W499 AromaticContact NE1-CE2 3.48Å; W23-W499 AromaticContact NE1-CH2 3.62Å; W23-W499 AromaticContact NE1-CZ2 3.23Å; W23-R502 HydrophobicContact CB-CB 3.71Å; W23-A503 HydrophobicContact CD2-CB 3.57Å; W23-A503 VanDerWaalsContact CE2-CB 3.47Å; W23-A503 HydrophobicContact CE3-CB 4.05Å; W23-A503 HydrophobicContact CG-CB 3.88Å; W23-A503 HydrophobicContact CH2-CB 4.31Å; W23-A503 HydrophobicContact CZ2-CB 3.88Å; W23-A503 HydrophobicContact CZ3-CB 4.39Å; W23-K506 VanDerWaalsContact C-CE 3.46Å; W23-K506 HydrophobicContact CE3-CG 4.22Å; W23-K506 WeakPolarHBondContact O-CE 3.13Å; W23-Y516 HydrophobicContact CH2-CD1 4.03Å; W23-Y516 HydrophobicContact CH2-CG 4.01Å; W23-Y516 HydrophobicContact CZ3-CD1 4.04Å; W23-Y516 HydrophobicContact CZ3-CD2 4.27Å; W23-Y516 AromaticContact CZ3-CG 3.85Å; W23-Y516 HydrophobicContact CZ3-CG 3.85Å; W23-N519 HydrophobicContact CH2-CB 4.19Å; W23-N519 HydrophobicContact CZ2-CB 4.13Å; W23-A520 HydrophobicContact CZ2-CB 4.1Å
24W98.3Very high98.4Very high4 Ų428.8 Ų28.82%0.01514%0.142CC..  trans-74.2140.4-179-72.27.7000112.5S20 F21 R28 W29 E32 I327 K506S20-W24 PolarHBondContact O-NE1 3.28Å; F21-W24 HydrophobicContact CB-CD2 4.1Å; F21-W24 HydrophobicContact CB-CE3 4.07Å; F21-W24 HydrophobicContact CB-CG 4.46Å; F21-W24 HydrophobicContact CB-CZ3 4.5Å; F21-W24 AromaticContact CD1-CD2 3.95Å; F21-W24 HydrophobicContact CD1-CD2 3.95Å; F21-W24 AromaticContact CD1-CE2 3.78Å; F21-W24 AromaticContact CD1-CE3 3.72Å; F21-W24 HydrophobicContact CD1-CE3 3.72Å; F21-W24 AromaticContact CD1-CH2 3.2Å; F21-W24 HydrophobicContact CD1-CH2 3.2Å; F21-W24 AromaticContact CD1-CZ2 3.43Å; F21-W24 HydrophobicContact CD1-CZ2 3.43Å; F21-W24 VanDerWaalsContact CD1-CZ2 3.43Å; F21-W24 AromaticContact CD1-CZ3 3.33Å; F21-W24 HydrophobicContact CD1-CZ3 3.33Å; F21-W24 HydrophobicContact CE1-CE3 4.44Å; F21-W24 AromaticContact CE1-CH2 3.25Å; F21-W24 HydrophobicContact CE1-CH2 3.25Å; F21-W24 AromaticContact CE1-CZ2 3.79Å; F21-W24 HydrophobicContact CE1-CZ2 3.79Å; F21-W24 AromaticContact CE1-CZ3 3.61Å; F21-W24 HydrophobicContact CE1-CZ3 3.61Å; F21-W24 HydrophobicContact CG-CD2 4.39Å; F21-W24 HydrophobicContact CG-CE3 4.06Å; F21-W24 HydrophobicContact CG-CH2 4.27Å; F21-W24 AromaticContact CG-CZ3 3.99Å; F21-W24 HydrophobicContact CG-CZ3 3.99Å; F21-W24 HydrophobicContact CZ-CH2 4.34Å; F21-W24 HydrophobicContact CZ-CZ3 4.45Å; F21-W24 VanDerWaalsContact O-CB 3.29Å; F21-W24 WeakPolarHBondContact O-CB 3.37Å; F21-W24 PolarHBondContact O-N 3.23Å; W24-R28 HydrophobicContact CB-CB 4.22Å; W24-R28 HydrophobicContact CB-CG 4.17Å; W24-R28 HydrophobicContact CD2-CB 4.3Å; W24-R28 HydrophobicContact CD2-CG 3.39Å; W24-R28 HydrophobicContact CE3-CG 3.95Å; W24-R28 HydrophobicContact CG-CB 4.08Å; W24-R28 HydrophobicContact CG-CG 3.5Å; W24-R28 VanDerWaalsContact CG-CG 3.5Å; W24-R28 VanDerWaalsContact CH2-NH2 3.33Å; W24-R28 HydrophobicContact CZ2-CG 4.13Å; W24-W29 AromaticContact CE3-CD1 3.99Å; W24-W29 AromaticContact CE3-CD2 3.85Å; W24-W29 HydrophobicContact CE3-CD2 3.85Å; W24-W29 AromaticContact CE3-CE2 3.79Å; W24-W29 HydrophobicContact CE3-CE3 4.41Å; W24-W29 HydrophobicContact CE3-CG 4.02Å; W24-W29 HydrophobicContact CE3-CZ2 4.32Å; W24-W29 AromaticContact CE3-NE1 3.86Å; W24-W29 HydrophobicContact CZ3-CD2 4.29Å; W24-W29 HydrophobicContact CZ3-CE3 4.4Å; W24-E32 HydrophobicContact CH2-CB 4.11Å; W24-E32 HydrophobicContact CH2-CG 3.86Å; W24-E32 WeakPolarHBondContact CH2-OE2 3.43Å; W24-E32 HydrophobicContact CZ3-CB 3.71Å; W24-E32 HydrophobicContact CZ3-CG 3.74Å; W24-I327 HydrophobicContact CH2-CD1 3.71Å; W24-I327 HydrophobicContact CZ2-CD1 3.85Å; W24-K506 WeakPolarHBondContact O-CE 3.23Å; W24-K506 PolarHBondContact O-NZ 3.2Å
25D97.6Very high98.4Very high76 Ų7632 Ų3241%0.40615%0.154SC..  trans-95.7-178.4166.363.40.8000110.8R28 W29 K506D25-R28 PolarHBondContact O-N 3.05Å; D25-R28 WeakPolarHBondContact OD1-CB 3.48Å; D25-R28 PolarHBondContact OD1-N 3.27Å; D25-W29 PolarHBondContact O-N 2.78Å; D25-W29 VanDerWaalsContact O-N 3.13Å; D25-K506 VanDerWaalsContact N-NZ 3.17Å
26W98.4Very high98.5Very high50 Ų5031.8 Ų31.819%0.18915%0.152CC..Hα-helixtrans-60.1-49.6178.4171.2-108.5000113R28 W29 E30 I33 L104 K107 I108 R111W26-R28 VanDerWaalsContact C-N 3.27Å; W26-R28 PolarHBondContact O-N 3.36Å; W26-W29 HydrophobicContact CE3-CB 4.15Å; W26-W29 HydrophobicContact CZ3-CB 4.34Å; W26-W29 CarbonylContact O-C 3.53Å; W26-W29 PolarHBondContact O-N 2.96Å; W26-E30 HydrophobicContact CD2-CB 4.45Å; W26-E30 HydrophobicContact CH2-CB 4.28Å; W26-E30 HydrophobicContact CZ2-CB 3.87Å; W26-E30 HydrophobicContact CZ2-CG 4.08Å; W26-E30 WeakPolarHBondContact O-CB 3.43Å; W26-E30 PolarHBondContact O-N 3.14Å; W26-I33 HydrophobicContact CH2-CD1 4.4Å; W26-I33 HydrophobicContact CZ3-CD1 4.29Å; W26-L104 HydrophobicContact CB-CD1 4.08Å; W26-L104 HydrophobicContact CE3-CD1 4.16Å; W26-K107 HydrophobicContact CB-CD 4.1Å; W26-K107 HydrophobicContact CD2-CB 3.83Å; W26-K107 HydrophobicContact CD2-CD 3.54Å; W26-K107 HydrophobicContact CD2-CG 4.36Å; W26-K107 HydrophobicContact CE3-CB 3.38Å; W26-K107 HydrophobicContact CE3-CD 3.93Å; W26-K107 HydrophobicContact CE3-CG 4.33Å; W26-K107 HydrophobicContact CG-CD 3.59Å; W26-K107 HydrophobicContact CH2-CB 3.89Å; W26-K107 WeakPolarHBondContact CH2-O 3.23Å; W26-K107 HydrophobicContact CZ2-CB 4.29Å; W26-K107 VanDerWaalsContact CZ3-C 3.46Å; W26-K107 HydrophobicContact CZ3-CB 3.43Å; W26-K107 VanDerWaalsContact CZ3-CB 3.43Å; W26-I108 HydrophobicContact CZ3-CG1 4.18Å; W26-R111 HydrophobicContact CH2-CB 3.66Å; W26-R111 HydrophobicContact CH2-CG 4.06Å; W26-R111 HydrophobicContact CZ2-CB 4.44Å
27P98.6Very high98.5Very high77 Ų7733.4 Ų33.450%0.517%0.166SC..Hα-helixtrans-52.3-40.9176.9-30.334.6000114.5K31P27-K31 PolarHBondContact O-N 3.44Å
28R98.2Very high98.5Very high37 Ų3739.8 Ų39.814%0.1420%0.198CC..Hα-helixtrans-69.4-39.2176.5-178.661.3-170.584.8-3.7112.4W24 D25 W26 E32 E328W24-R28 HydrophobicContact CB-CB 4.22Å; W24-R28 HydrophobicContact CB-CG 4.17Å; W24-R28 HydrophobicContact CD2-CB 4.3Å; W24-R28 HydrophobicContact CD2-CG 3.39Å; W24-R28 HydrophobicContact CE3-CG 3.95Å; W24-R28 HydrophobicContact CG-CB 4.08Å; W24-R28 HydrophobicContact CG-CG 3.5Å; W24-R28 VanDerWaalsContact CG-CG 3.5Å; W24-R28 VanDerWaalsContact CH2-NH2 3.33Å; W24-R28 HydrophobicContact CZ2-CG 4.13Å; D25-R28 PolarHBondContact O-N 3.05Å; D25-R28 WeakPolarHBondContact OD1-CB 3.48Å; D25-R28 PolarHBondContact OD1-N 3.27Å; W26-R28 VanDerWaalsContact C-N 3.27Å; W26-R28 PolarHBondContact O-N 3.36Å; R28-E32 IonicContact CZ-OE2 3.52Å; R28-E32 VanDerWaalsContact CZ-OE2 3.23Å; R28-E32 IonicContact NH1-OE2 3.97Å; R28-E32 PolarHBondContact NH1-OE2 3.12Å; R28-E32 IonicContact NH2-OE2 3.43Å; R28-E32 PolarHBondContact NH2-OE2 3.48Å; R28-E32 PolarHBondContact O-N 3.22Å; R28-E32 VanDerWaalsContact O-N 3.13Å; R28-E328 IonicContact CZ-OE1 3.25Å; R28-E328 IonicContact NE-OE1 2.61Å; R28-E328 PolarHBondContact NE-OE1 2.95Å; R28-E328 IonicContact NH2-OE1 2.85Å; R28-E328 PolarHBondContact NH2-OE1 3.03Å
29W98.7Very high98.5Very high6 Ų641.2 Ų41.22%0.02321%0.206CC..Hα-helixtrans-65.4-42.1174.9-93.9105.3000112.8F21 W24 D25 W26 K31 E32 I33 M36 L104 I108 M112F21-W29 HydrophobicContact CB-CZ2 3.93Å; F21-W29 AromaticContact CD2-CH2 3.77Å; F21-W29 HydrophobicContact CD2-CH2 3.77Å; F21-W29 AromaticContact CD2-CZ2 3.82Å; F21-W29 HydrophobicContact CD2-CZ2 3.82Å; F21-W29 HydrophobicContact CE2-CH2 4.11Å; F21-W29 HydrophobicContact CG-CH2 4.31Å; F21-W29 HydrophobicContact CG-CZ2 4.02Å; W24-W29 AromaticContact CE3-CD1 3.99Å; W24-W29 AromaticContact CE3-CD2 3.85Å; W24-W29 HydrophobicContact CE3-CD2 3.85Å; W24-W29 AromaticContact CE3-CE2 3.79Å; W24-W29 HydrophobicContact CE3-CE3 4.41Å; W24-W29 HydrophobicContact CE3-CG 4.02Å; W24-W29 HydrophobicContact CE3-CZ2 4.32Å; W24-W29 AromaticContact CE3-NE1 3.86Å; W24-W29 HydrophobicContact CZ3-CD2 4.29Å; W24-W29 HydrophobicContact CZ3-CE3 4.4Å; D25-W29 PolarHBondContact O-N 2.78Å; D25-W29 VanDerWaalsContact O-N 3.13Å; W26-W29 HydrophobicContact CE3-CB 4.15Å; W26-W29 HydrophobicContact CZ3-CB 4.34Å; W26-W29 CarbonylContact O-C 3.53Å; W26-W29 PolarHBondContact O-N 2.96Å; W29-K31 VanDerWaalsContact C-N 3.32Å; W29-K31 PolarHBondContact O-N 2.85Å; W29-E32 WeakPolarHBondContact O-CB 3.49Å; W29-E32 PolarHBondContact O-N 3.24Å; W29-E32 VanDerWaalsContact O-N 3.09Å; W29-I33 HydrophobicContact CE3-CG1 4.43Å; W29-I33 WeakPolarHBondContact O-CG1 3.39Å; W29-I33 PolarHBondContact O-N 3.23Å; W29-M36 HydrophobicContact CZ3-CE 4.11Å; W29-L104 HydrophobicContact CG-CD1 4.44Å; W29-I108 HydrophobicContact CB-CG1 4.21Å; W29-I108 HydrophobicContact CD2-CD1 3.46Å; W29-I108 VanDerWaalsContact CD2-CD1 3.46Å; W29-I108 HydrophobicContact CD2-CG1 3.85Å; W29-I108 VanDerWaalsContact CE2-CD1 3.49Å; W29-I108 HydrophobicContact CE3-CD1 3.92Å; W29-I108 HydrophobicContact CE3-CG1 4.04Å; W29-I108 HydrophobicContact CE3-CG2 4.44Å; W29-I108 HydrophobicContact CG-CD1 3.76Å; W29-I108 HydrophobicContact CG-CG1 3.94Å; W29-I108 HydrophobicContact CH2-CD1 4.38Å; W29-I108 HydrophobicContact CZ2-CD1 3.97Å; W29-I108 HydrophobicContact CZ3-CD1 4.35Å; W29-I108 HydrophobicContact CZ3-CG2 4.48Å; W29-M112 HydrophobicContact CZ3-CE 4.32Å
30E98.8Very high98.4Very high74 Ų7441.6 Ų41.635%0.34621%0.211SC..Hα-helixtrans-57.4-47.1176.3-177173.2-119.300110.7W26 E32 I33 D34W26-E30 HydrophobicContact CD2-CB 4.45Å; W26-E30 HydrophobicContact CH2-CB 4.28Å; W26-E30 HydrophobicContact CZ2-CB 3.87Å; W26-E30 HydrophobicContact CZ2-CG 4.08Å; W26-E30 WeakPolarHBondContact O-CB 3.43Å; W26-E30 PolarHBondContact O-N 3.14Å; E30-E32 VanDerWaalsContact C-N 3.31Å; E30-E32 PolarHBondContact O-N 2.89Å; E30-I33 PolarHBondContact O-N 3.3Å; E30-D34 PolarHBondContact O-N 2.89Å
31K98.7Very high98.4Very high149 Ų14941.5 Ų41.565%0.64821%0.21SC*.Hα-helixtrans-59.2-40.2174.1-174.9179.5179.4-177.70112.6P27 W29 W35P27-K31 PolarHBondContact O-N 3.44Å; W29-K31 VanDerWaalsContact C-N 3.32Å; W29-K31 PolarHBondContact O-N 2.85Å; K31-W35 WeakPolarHBondContact O-CB 3.46Å; K31-W35 PolarHBondContact O-N 3.3Å
32E98.8Very high98.4Very high11 Ų1142.5 Ų42.55%0.05122%0.216CC..Hα-helixtrans-66.6-42.8177.6-16369.2-168.400111.4Y11 W24 R28 W29 E30 D34 W35 M36Y11-E32 HydrophobicContact CE1-CG 4.28Å; Y11-E32 WeakPolarHBondContact CE1-OE1 3.5Å; Y11-E32 PolarHBondContact OH-OE1 3.25Å; W24-E32 HydrophobicContact CH2-CB 4.11Å; W24-E32 HydrophobicContact CH2-CG 3.86Å; W24-E32 WeakPolarHBondContact CH2-OE2 3.43Å; W24-E32 HydrophobicContact CZ3-CB 3.71Å; W24-E32 HydrophobicContact CZ3-CG 3.74Å; R28-E32 IonicContact CZ-OE2 3.52Å; R28-E32 VanDerWaalsContact CZ-OE2 3.23Å; R28-E32 IonicContact NH1-OE2 3.97Å; R28-E32 PolarHBondContact NH1-OE2 3.12Å; R28-E32 IonicContact NH2-OE2 3.43Å; R28-E32 PolarHBondContact NH2-OE2 3.48Å; R28-E32 PolarHBondContact O-N 3.22Å; R28-E32 VanDerWaalsContact O-N 3.13Å; W29-E32 WeakPolarHBondContact O-CB 3.49Å; W29-E32 PolarHBondContact O-N 3.24Å; W29-E32 VanDerWaalsContact O-N 3.09Å; E30-E32 VanDerWaalsContact C-N 3.31Å; E30-E32 PolarHBondContact O-N 2.89Å; E32-D34 VanDerWaalsContact C-N 3.33Å; E32-D34 PolarHBondContact O-N 3.06Å; E32-W35 CarbonylContact O-C 3.43Å; E32-W35 WeakPolarHBondContact O-CB 3.35Å; E32-W35 PolarHBondContact O-N 2.98Å; E32-M36 HydrophobicContact CB-CE 4.26Å; E32-M36 HydrophobicContact CG-CE 3.55Å; E32-M36 VanDerWaalsContact O-CG 3.27Å; E32-M36 WeakPolarHBondContact O-CG 3.45Å; E32-M36 PolarHBondContact O-N 3.49Å
33I98.9Very high98.5Very high0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-67.7-36.8179.8-62.5163.6000110.7W26 W29 E30 M36 A37 I108 R111 M112 F115 M117W26-I33 HydrophobicContact CH2-CD1 4.4Å; W26-I33 HydrophobicContact CZ3-CD1 4.29Å; W29-I33 HydrophobicContact CE3-CG1 4.43Å; W29-I33 WeakPolarHBondContact O-CG1 3.39Å; W29-I33 PolarHBondContact O-N 3.23Å; E30-I33 PolarHBondContact O-N 3.3Å; I33-M36 HydrophobicContact CG1-CE 4.46Å; I33-M36 WeakPolarHBondContact O-CB 3.3Å; I33-M36 PolarHBondContact O-N 2.91Å; I33-A37 WeakPolarHBondContact O-CB 3.46Å; I33-A37 PolarHBondContact O-N 2.94Å; I33-I108 HydrophobicContact CD1-CB 4.48Å; I33-I108 HydrophobicContact CD1-CG2 4.23Å; I33-R111 HydrophobicContact CB-CG 4.25Å; I33-R111 HydrophobicContact CD1-CB 4.07Å; I33-R111 HydrophobicContact CD1-CG 4.1Å; I33-R111 HydrophobicContact CG2-CG 3.76Å; I33-M112 HydrophobicContact CD1-CG 4.12Å; I33-M112 HydrophobicContact CG1-CE 4.23Å; I33-M112 HydrophobicContact CG1-CG 4.2Å; I33-M112 HydrophobicContact CG2-CG 4.22Å; I33-F115 HydrophobicContact CG2-CD2 3.83Å; I33-F115 HydrophobicContact CG2-CE2 4.06Å; I33-M117 HydrophobicContact CG2-CE 4.11Å; I33-M117 HydrophobicContact CG2-SD 4.28Å
34D98.9Very high98.5Very high56 Ų5642.1 Ų42.130%0.29921%0.214SC..Hα-helixtrans-62.7-42.6171.5-73.7-6.2000111.1E30 E32 A37 L38 R111 F115E30-D34 PolarHBondContact O-N 2.89Å; E32-D34 VanDerWaalsContact C-N 3.33Å; E32-D34 PolarHBondContact O-N 3.06Å; D34-A37 PolarHBondContact O-N 2.85Å; D34-L38 WeakPolarHBondContact O-CG 3.44Å; D34-L38 PolarHBondContact O-N 2.84Å; D34-R111 IonicContact OD1-CZ 2.65Å; D34-R111 IonicContact OD1-NE 3.75Å; D34-R111 IonicContact OD1-NH2 3.26Å; D34-R111 PolarHBondContact OD1-NH2 3.27Å; D34-R111 IonicContact OD2-NH2 2.84Å; D34-F115 WeakPolarHBondContact OD1-CE2 3.29Å
35W98.7Very high98.5Very high75 Ų7541.9 Ų41.928%0.28421%0.213SC..Hα-helixtrans-62.5-42.9173.3179.592.4000112.1Y11 K31 E32 A37 L38 N39 M322Y11-W35 HydrophobicContact CD1-CZ3 4.31Å; Y11-W35 HydrophobicContact CE1-CE3 4.34Å; Y11-W35 AromaticContact CE1-CZ3 3.89Å; Y11-W35 HydrophobicContact CE1-CZ3 3.89Å; Y11-W35 HydrophobicContact CE2-CZ3 4.19Å; Y11-W35 AromaticContact CZ-CZ3 3.83Å; K31-W35 WeakPolarHBondContact O-CB 3.46Å; K31-W35 PolarHBondContact O-N 3.3Å; E32-W35 CarbonylContact O-C 3.43Å; E32-W35 WeakPolarHBondContact O-CB 3.35Å; E32-W35 PolarHBondContact O-N 2.98Å; W35-A37 VanDerWaalsContact C-N 3.33Å; W35-A37 PolarHBondContact O-N 3.06Å; W35-L38 PolarHBondContact O-N 3.45Å; W35-N39 PolarHBondContact NE1-ND2 3.32Å; W35-N39 PolarHBondContact O-N 3.27Å; W35-N39 PolarHBondContact O-ND2 3.45Å; W35-M322 HydrophobicContact CH2-CE 3.77Å; W35-M322 HydrophobicContact CH2-SD 4.44Å; W35-M322 HydrophobicContact CZ3-CE 4.29Å
36M98.8Very high98.5Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-56.5-48.1174.7-73.9-179-149.200110.6Y11 W29 E32 I33 N39 G40 I41 P44 M112 M117Y11-M36 HydrophobicContact CD1-CE 3.75Å; Y11-M36 HydrophobicContact CD1-CG 3.61Å; Y11-M36 HydrophobicContact CD1-SD 3.88Å; Y11-M36 HydrophobicContact CE1-CE 3.78Å; Y11-M36 HydrophobicContact CE1-CG 3.94Å; Y11-M36 HydrophobicContact CE1-SD 4.39Å; W29-M36 HydrophobicContact CZ3-CE 4.11Å; E32-M36 HydrophobicContact CB-CE 4.26Å; E32-M36 HydrophobicContact CG-CE 3.55Å; E32-M36 VanDerWaalsContact O-CG 3.27Å; E32-M36 WeakPolarHBondContact O-CG 3.45Å; E32-M36 PolarHBondContact O-N 3.49Å; I33-M36 HydrophobicContact CG1-CE 4.46Å; I33-M36 WeakPolarHBondContact O-CB 3.3Å; I33-M36 PolarHBondContact O-N 2.91Å; M36-N39 CarbonylContact O-C 3.57Å; M36-N39 PolarHBondContact O-N 2.72Å; M36-G40 PolarHBondContact O-N 2.73Å; M36-G40 VanDerWaalsContact O-N 3.1Å; M36-I41 HydrophobicContact CB-CB 3.88Å; M36-I41 HydrophobicContact CB-CG1 4.22Å; M36-I41 HydrophobicContact CB-CG2 4.23Å; M36-I41 HydrophobicContact CG-CB 4.37Å; M36-I41 HydrophobicContact CG-CG1 4.45Å; M36-I41 HydrophobicContact CG-CG2 4.33Å; M36-I41 WeakPolarHBondContact O-CB 3.23Å; M36-I41 PolarHBondContact O-N 2.7Å; M36-I41 HydrophobicContact SD-CG2 4.5Å; M36-P44 HydrophobicContact SD-CB 3.83Å; M36-P44 HydrophobicContact SD-CG 4.43Å; M36-M112 HydrophobicContact CE-CE 4.1Å; M36-M112 HydrophobicContact SD-CE 4.05Å; M36-M117 HydrophobicContact CB-CE 3.67Å; M36-M117 HydrophobicContact CB-SD 4.42Å
37A98.6Very high98.3Very high34 Ų3436.4 Ų36.428%0.28119%0.187SC..Hα-helixtrans-62.7-44.6179.400000112I33 D34 W35 N39 G40 F115 M117I33-A37 WeakPolarHBondContact O-CB 3.46Å; I33-A37 PolarHBondContact O-N 2.94Å; D34-A37 PolarHBondContact O-N 2.85Å; W35-A37 VanDerWaalsContact C-N 3.33Å; W35-A37 PolarHBondContact O-N 3.06Å; A37-N39 VanDerWaalsContact C-N 3.25Å; A37-N39 PolarHBondContact O-N 3.08Å; A37-G40 PolarHBondContact O-N 3.45Å; A37-F115 HydrophobicContact CB-CD1 4.13Å; A37-F115 HydrophobicContact CB-CD2 4.14Å; A37-F115 HydrophobicContact CB-CE1 4.28Å; A37-F115 HydrophobicContact CB-CE2 4.25Å; A37-F115 HydrophobicContact CB-CG 4.06Å; A37-F115 HydrophobicContact CB-CZ 4.32Å; A37-M117 HydrophobicContact CB-CE 3.79Å
38L98.3Very high98.3Very high152 Ų15233.3 Ų33.380%0.79617%0.167SC*.Hα-helixtrans-62.1-32.2176.8-73.1170000112.9D34 W35 G40D34-L38 WeakPolarHBondContact O-CG 3.44Å; D34-L38 PolarHBondContact O-N 2.84Å; W35-L38 PolarHBondContact O-N 3.45Å; L38-G40 VanDerWaalsContact C-N 3.3Å
39N97.8Very high98.1Very high30 Ų3031.7 Ų31.716%0.1616%0.161CC..THydrogen-bonded Turntrans-89.34.8176.4-71.7-82000113.1W35 M36 A37 I41 S338W35-N39 PolarHBondContact NE1-ND2 3.32Å; W35-N39 PolarHBondContact O-N 3.27Å; W35-N39 PolarHBondContact O-ND2 3.45Å; M36-N39 CarbonylContact O-C 3.57Å; M36-N39 PolarHBondContact O-N 2.72Å; A37-N39 VanDerWaalsContact C-N 3.25Å; A37-N39 PolarHBondContact O-N 3.08Å; N39-I41 VanDerWaalsContact C-N 3.3Å; N39-I41 PolarHBondContact O-N 3.07Å; N39-S338 VanDerWaalsContact OD1-CB 3.3Å; N39-S338 WeakPolarHBondContact OD1-CB 3.08Å; N39-S338 PolarHBondContact OD1-OG 3.15Å
40G97.5Very high98Very high13 Ų1331.8 Ų31.813%0.13416%0.162CC..THydrogen-bonded Turntrans75.512175.900000115R9 M36 A37 L38 N42R9-G40 WeakPolarHBondContact CD-O 3.17Å; R9-G40 PolarHBondContact NE-O 3.27Å; M36-G40 PolarHBondContact O-N 2.73Å; M36-G40 VanDerWaalsContact O-N 3.1Å; A37-G40 PolarHBondContact O-N 3.45Å; L38-G40 VanDerWaalsContact C-N 3.3Å; G40-N42 PolarHBondContact O-N 3.47Å
41I98.6Very high98Very high10 Ų1028.4 Ų28.45%0.05115%0.146CC..  trans-58.7131.9176.5-60-53000109.7R9 M36 N39 P44 M322R9-I41 HydrophobicContact CB-CD1 4.12Å; M36-I41 HydrophobicContact CB-CB 3.88Å; M36-I41 HydrophobicContact CB-CG1 4.22Å; M36-I41 HydrophobicContact CB-CG2 4.23Å; M36-I41 HydrophobicContact CG-CB 4.37Å; M36-I41 HydrophobicContact CG-CG1 4.45Å; M36-I41 HydrophobicContact CG-CG2 4.33Å; M36-I41 WeakPolarHBondContact O-CB 3.23Å; M36-I41 PolarHBondContact O-N 2.7Å; M36-I41 HydrophobicContact SD-CG2 4.5Å; N39-I41 VanDerWaalsContact C-N 3.3Å; N39-I41 PolarHBondContact O-N 3.07Å; I41-P44 HydrophobicContact CG2-CB 4.27Å; I41-M322 HydrophobicContact CD1-CE 3.77Å
42N98.6Very high98Very high30 Ų3021.7 Ų21.716%0.1612%0.118CC..  trans-133.4-0.6178.175-28.1000114.2R7 F8 R9 G40 I118R7-N42 PolarHBondContact O-ND2 3.29Å; F8-N42 WeakPolarHBondContact CA-OD1 3.46Å; R9-N42 PolarHBondContact N-OD1 3.36Å; R9-N42 VanDerWaalsContact NH2-CG 3.27Å; R9-N42 PolarHBondContact NH2-ND2 2.91Å; R9-N42 PolarHBondContact NH2-OD1 3.49Å; R9-N42 PolarHBondContact O-N 3.19Å; R9-N42 PolarHBondContact O-OD1 3.32Å; G40-N42 PolarHBondContact O-N 3.47Å; N42-I118 PolarHBondContact O-N 3.21Å
43L98.8Very high98Very high0 Ų021.3 Ų21.30%012%0.116CC..EExtended strand (participates in β ladder)trans-133.267.3176.3-169.173.1000110.8F8 R9 Y10 Y11 I118 V120 I187 I282F8-L43 HydrophobicContact CB-CB 4.41Å; F8-L43 HydrophobicContact CB-CD2 4.04Å; F8-L43 HydrophobicContact CD1-CB 4.09Å; F8-L43 HydrophobicContact CD1-CD1 4.21Å; F8-L43 HydrophobicContact CD1-CD2 3.87Å; F8-L43 HydrophobicContact CD1-CG 4.29Å; F8-L43 HydrophobicContact CE1-CD1 4.29Å; F8-L43 HydrophobicContact CE1-CD2 4.45Å; F8-L43 HydrophobicContact CG-CD2 3.9Å; R9-L43 PolarHBondContact O-N 2.97Å; R9-L43 VanDerWaalsContact O-N 3.17Å; Y10-L43 WeakPolarHBondContact CA-O 3.48Å; Y10-L43 HydrophobicContact CD2-CD2 4.05Å; Y10-L43 HydrophobicContact CD2-CG 4.15Å; Y10-L43 WeakPolarHBondContact CD2-O 3.43Å; Y11-L43 PolarHBondContact N-O 3.34Å; L43-I118 HydrophobicContact CD1-CB 3.98Å; L43-I118 HydrophobicContact CD1-CG2 3.9Å; L43-V120 HydrophobicContact CD1-CG2 3.76Å; L43-V120 HydrophobicContact CG-CG2 3.88Å; L43-I187 HydrophobicContact CD1-CD1 3.66Å; L43-I282 HydrophobicContact CD2-CD1 3.73Å
44P98.6Very high97.9Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-82.8150.117733.9-35.4000112.6M36 I41 M112 M117 V120M36-P44 HydrophobicContact SD-CB 3.83Å; M36-P44 HydrophobicContact SD-CG 4.43Å; I41-P44 HydrophobicContact CG2-CB 4.27Å; P44-M112 HydrophobicContact CB-CE 3.72Å; P44-M112 HydrophobicContact CB-SD 4.29Å; P44-M112 HydrophobicContact CG-CE 3.67Å; P44-M112 HydrophobicContact CG-CG 4.28Å; P44-M112 HydrophobicContact CG-SD 3.6Å; P44-M117 HydrophobicContact CG-CB 4.19Å; P44-M117 HydrophobicContact CG-SD 4.01Å; P44-V120 PolarHBondContact O-N 2.89Å
45L98.4Very high97.9Very high0 Ų020 Ų200%011%0.108CC..BIsolated β-bridgetrans-67.9147.1164.3-62.1-178.1000111.4Y10 Y11 Q12 V14 F47 V120 N189 L227Y10-L45 HydrophobicContact CE2-CD2 3.88Å; Y10-L45 HydrophobicContact CE2-CG 4.06Å; Y10-L45 VanDerWaalsContact OH-CD1 3.23Å; Y10-L45 WeakPolarHBondContact OH-CD1 3.46Å; Y10-L45 WeakPolarHBondContact OH-CD2 3.44Å; Y10-L45 WeakPolarHBondContact OH-CG 3.42Å; Y11-L45 PolarHBondContact O-N 2.9Å; Q12-L45 HydrophobicContact CB-CB 4.19Å; Q12-L45 HydrophobicContact CB-CD1 4.18Å; Q12-L45 HydrophobicContact CB-CG 4.25Å; Q12-L45 PolarHBondContact NE2-O 3.46Å; Q12-L45 PolarHBondContact OE1-O 3.25Å; Q12-L45 VanDerWaalsContact OE1-O 3.11Å; V14-L45 HydrophobicContact CG1-CD1 4.12Å; L45-F47 HydrophobicContact CD2-CE1 4.46Å; L45-V120 HydrophobicContact CD2-CB 3.8Å; L45-V120 HydrophobicContact CD2-CG1 3.9Å; L45-V120 HydrophobicContact CD2-CG2 4.34Å; L45-N189 HydrophobicContact CD2-CB 4.35Å; L45-L227 HydrophobicContact CD2-CD2 4.43Å
46A98.1Very high97.8Very high0 Ų021 Ų210%012%0.115CC..  trans-139.477.7176.200000111Q105 L109 M112 P119 V120A46-Q105 PolarHBondContact O-NE2 3.04Å; A46-L109 HydrophobicContact CB-CD2 3.74Å; A46-M112 HydrophobicContact CB-SD 4.31Å; A46-P119 HydrophobicContact CB-CB 3.82Å; A46-V120 PolarHBondContact N-O 2.99Å
47F94.6Very high97.8Very high10 Ų1021.5 Ų21.54%0.04412%0.118CC..  trans-100.4-2.4-170-85.814.9000115.1V14 V17 L45 G49 Q50 P122 N189V14-F47 HydrophobicContact CG1-CE2 3.81Å; V17-F47 HydrophobicContact CG1-CB 4.29Å; L45-F47 HydrophobicContact CD2-CE1 4.46Å; F47-G49 PolarHBondContact O-N 3.35Å; F47-Q50 VanDerWaalsContact CB-NE2 3.29Å; F47-Q50 PolarHBondContact O-NE2 3.46Å; F47-P122 HydrophobicContact CD1-CB 4.21Å; F47-P122 HydrophobicContact CE1-CB 3.93Å; F47-P122 HydrophobicContact CZ-CB 4.35Å; F47-N189 HydrophobicContact CE1-CB 4.26Å; F47-N189 HydrophobicContact CZ-CB 3.93Å; F47-N189 WeakPolarHBondContact CZ-OD1 3.25Å
48T97.4Very high97.8Very high13 Ų1319.9 Ų19.98%0.0811%0.105CC..THydrogen-bonded Turntrans-61.4133.6-175.3-47.60000110.4Q50 Q101 L104 Q105 I108T48-Q50 VanDerWaalsContact C-N 3.33Å; T48-Q50 PolarHBondContact O-N 3.37Å; T48-Q101 HydrophobicContact CG2-CB 4.21Å; T48-Q101 WeakPolarHBondContact CG2-O 3.38Å; T48-L104 HydrophobicContact CG2-CB 4.18Å; T48-L104 HydrophobicContact CG2-CD2 3.93Å; T48-L104 HydrophobicContact CG2-CG 4.08Å; T48-Q105 HydrophobicContact CG2-CB 4.38Å; T48-Q105 VanDerWaalsContact O-CB 3.29Å; T48-Q105 WeakPolarHBondContact O-CB 3.3Å; T48-Q105 WeakPolarHBondContact O-CG 3.5Å; T48-Q105 PolarHBondContact OG1-OE1 3.25Å; T48-I108 HydrophobicContact CG2-CD1 4.24Å; T48-I108 WeakPolarHBondContact OG1-CD1 3.49Å
49G94.6Very high97.8Very high2 Ų216.1 Ų16.12%0.0218%0.08CC..THydrogen-bonded Turntrans78.43.7173.900000116.4F47 E51 A52F47-G49 PolarHBondContact O-N 3.35Å; G49-E51 PolarHBondContact O-N 2.91Å; G49-A52 VanDerWaalsContact O-CB 3.29Å; G49-A52 WeakPolarHBondContact O-CB 3.48Å; G49-A52 PolarHBondContact O-N 2.9Å
50Q97.4Very high97.7Very high9 Ų919 Ų194%0.04211%0.108CC..Hα-helixtrans-61.3-27.9-177.375.5-177.3-87.600114F47 T48 A52 L53 W54 R82 P122F47-Q50 VanDerWaalsContact CB-NE2 3.29Å; F47-Q50 PolarHBondContact O-NE2 3.46Å; T48-Q50 VanDerWaalsContact C-N 3.33Å; T48-Q50 PolarHBondContact O-N 3.37Å; Q50-A52 VanDerWaalsContact C-N 3.26Å; Q50-A52 PolarHBondContact O-N 2.61Å; Q50-L53 PolarHBondContact O-N 3.44Å; Q50-L53 VanDerWaalsContact O-N 3.16Å; Q50-W54 PolarHBondContact O-N 3.4Å; Q50-R82 VanDerWaalsContact CD-NE 3.35Å; Q50-P122 HydrophobicContact CB-CG 3.87Å
51E98.4Very high97.7Very high3 Ų319.5 Ų19.51%0.01411%0.108CC..Hα-helixtrans-64.5-30.5174.9-6868.8-131.800112.2G49 L53 W54 Q55 F72 L78 R82 L93G49-E51 PolarHBondContact O-N 2.91Å; E51-L53 VanDerWaalsContact C-N 3.32Å; E51-W54 PolarHBondContact O-N 2.77Å; E51-Q55 VanDerWaalsContact O-CB 3.31Å; E51-Q55 WeakPolarHBondContact O-CB 3.42Å; E51-Q55 PolarHBondContact O-N 2.73Å; E51-F72 HydrophobicContact CB-CD1 4.14Å; E51-F72 HydrophobicContact CB-CE1 3.84Å; E51-F72 HydrophobicContact CB-CZ 4.16Å; E51-F72 HydrophobicContact CG-CD1 3.68Å; E51-F72 HydrophobicContact CG-CE1 3.71Å; E51-F72 HydrophobicContact CG-CG 4.48Å; E51-L78 HydrophobicContact CG-CD1 4.47Å; E51-L78 HydrophobicContact CG-CD2 3.95Å; E51-R82 VanDerWaalsContact CD-NH2 3.25Å; E51-R82 IonicContact OE1-CZ 3.86Å; E51-R82 VanDerWaalsContact OE1-CZ 3.24Å; E51-R82 IonicContact OE1-NE 3.78Å; E51-R82 PolarHBondContact OE1-NE 2.9Å; E51-R82 IonicContact OE1-NH2 3.46Å; E51-R82 PolarHBondContact OE1-NH2 2.85Å; E51-R82 IonicContact OE2-CZ 2.74Å; E51-R82 IonicContact OE2-NE 2.84Å; E51-R82 IonicContact OE2-NH2 3.23Å; E51-R82 PolarHBondContact OE2-NH2 3.35Å; E51-L93 HydrophobicContact CB-CD1 3.96Å; E51-L93 HydrophobicContact CG-CD1 3.79Å
52A98.1Very high97.7Very high7 Ų720.7 Ų20.76%0.05812%0.123CC..Hα-helixtrans-64.8-39.2174.700000111.1G49 Q50 Q55 E56 H98 L102G49-A52 VanDerWaalsContact O-CB 3.29Å; G49-A52 WeakPolarHBondContact O-CB 3.48Å; G49-A52 PolarHBondContact O-N 2.9Å; Q50-A52 VanDerWaalsContact C-N 3.26Å; Q50-A52 PolarHBondContact O-N 2.61Å; A52-Q55 WeakPolarHBondContact O-CB 3.42Å; A52-Q55 PolarHBondContact O-N 2.65Å; A52-E56 WeakPolarHBondContact O-CG 3.43Å; A52-E56 PolarHBondContact O-N 3.24Å; A52-H98 WeakPolarHBondContact CA-ND1 3.27Å; A52-H98 HydrophobicContact CB-CB 3.83Å; A52-H98 PolarHBondContact N-ND1 2.97Å; A52-L102 HydrophobicContact CB-CB 4.41Å
53L98.3Very high97.7Very high4 Ų419.8 Ų19.82%0.02112%0.118CC..Hα-helixtrans-70.5-41.2177.6-54.2-170.5000111.5Q50 E51 Q55 E56 V57 L102 Y174 E177 V178 Q181 F182Q50-L53 PolarHBondContact O-N 3.44Å; Q50-L53 VanDerWaalsContact O-N 3.16Å; E51-L53 VanDerWaalsContact C-N 3.32Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 2.95Å; L53-E56 PolarHBondContact O-N 3.16Å; L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.45Å; L53-V57 PolarHBondContact O-N 3.11Å; L53-L102 HydrophobicContact CD2-CD1 4.25Å; L53-Y174 HydrophobicContact CB-CE2 3.96Å; L53-E177 HydrophobicContact CD2-CG 4.27Å; L53-V178 HydrophobicContact CD1-CB 4.19Å; L53-V178 HydrophobicContact CD1-CG2 3.61Å; L53-Q181 HydrophobicContact CD2-CB 4.29Å; L53-Q181 HydrophobicContact CD2-CG 3.81Å; L53-F182 HydrophobicContact CD1-CD2 4.02Å; L53-F182 HydrophobicContact CD1-CE2 3.49Å; L53-F182 VanDerWaalsContact CD1-CE2 3.49Å; L53-F182 HydrophobicContact CD1-CZ 4.2Å; L53-F182 HydrophobicContact CG-CE2 4.29Å
54W98.4Very high97.6Very high21 Ų2123 Ų238%0.0814%0.135CC..Hα-helixtrans-61.2-40.7172.6-81.8121.7000112.5Q50 E51 E56 V57 Y58 F72 F124 I170 Y174Q50-W54 PolarHBondContact O-N 3.4Å; E51-W54 PolarHBondContact O-N 2.77Å; W54-E56 VanDerWaalsContact C-N 3.33Å; W54-E56 PolarHBondContact O-N 3.49Å; W54-V57 HydrophobicContact CE3-CB 4.41Å; W54-V57 HydrophobicContact CE3-CG1 4.35Å; W54-V57 HydrophobicContact CZ3-CG1 4.26Å; W54-V57 PolarHBondContact O-N 2.93Å; W54-Y58 HydrophobicContact CB-CD2 4.12Å; W54-Y58 HydrophobicContact CB-CE2 3.94Å; W54-Y58 AromaticContact CD2-CE2 3.93Å; W54-Y58 HydrophobicContact CD2-CE2 3.93Å; W54-Y58 HydrophobicContact CE3-CD2 4.16Å; W54-Y58 HydrophobicContact CE3-CE1 4.07Å; W54-Y58 AromaticContact CE3-CE2 3.46Å; W54-Y58 HydrophobicContact CE3-CE2 3.46Å; W54-Y58 VanDerWaalsContact CE3-CE2 3.46Å; W54-Y58 AromaticContact CE3-CZ 3.39Å; W54-Y58 HydrophobicContact CG-CE2 4.16Å; W54-Y58 HydrophobicContact CZ3-CE1 4.17Å; W54-Y58 HydrophobicContact CZ3-CE2 4.28Å; W54-Y58 AromaticContact CZ3-CZ 3.73Å; W54-Y58 WeakPolarHBondContact O-CB 3.28Å; W54-Y58 WeakPolarHBondContact O-CD2 3.4Å; W54-Y58 PolarHBondContact O-N 2.84Å; W54-F72 HydrophobicContact CB-CE1 4.04Å; W54-F72 HydrophobicContact CB-CZ 3.71Å; W54-F124 HydrophobicContact CH2-CB 3.97Å; W54-F124 AromaticContact CH2-CD2 3.33Å; W54-F124 HydrophobicContact CH2-CD2 3.33Å; W54-F124 HydrophobicContact CH2-CE2 4.09Å; W54-F124 AromaticContact CH2-CG 3.97Å; W54-F124 HydrophobicContact CH2-CG 3.97Å; W54-F124 HydrophobicContact CZ2-CB 4.26Å; W54-F124 AromaticContact CZ2-CD2 3.85Å; W54-F124 HydrophobicContact CZ2-CD2 3.85Å; W54-F124 HydrophobicContact CZ3-CD2 4.29Å; W54-I170 HydrophobicContact CH2-CG2 4.31Å; W54-I170 HydrophobicContact CZ3-CG2 3.99Å; W54-Y174 AromaticContact CD1-CE2 3.55Å; W54-Y174 AromaticContact CD1-CZ 3.91Å; W54-Y174 AromaticContact CD2-CD2 3.39Å; W54-Y174 HydrophobicContact CD2-CD2 3.39Å; W54-Y174 AromaticContact CD2-CE2 3.46Å; W54-Y174 HydrophobicContact CD2-CE2 3.46Å; W54-Y174 VanDerWaalsContact CD2-CE2 3.46Å; W54-Y174 HydrophobicContact CD2-CG 4.09Å; W54-Y174 AromaticContact CE2-CD1 3.98Å; W54-Y174 AromaticContact CE2-CD2 3.38Å; W54-Y174 AromaticContact CE2-CE1 3.86Å; W54-Y174 AromaticContact CE2-CE2 3.24Å; W54-Y174 AromaticContact CE2-CG 3.74Å; W54-Y174 AromaticContact CE2-CZ 3.48Å; W54-Y174 VanDerWaalsContact CE2-CZ 3.48Å; W54-Y174 AromaticContact CE3-CD2 3.56Å; W54-Y174 HydrophobicContact CE3-CD2 3.56Å; W54-Y174 HydrophobicContact CE3-CE2 4.13Å; W54-Y174 HydrophobicContact CE3-CG 4.05Å; W54-Y174 HydrophobicContact CG-CD2 4.02Å; W54-Y174 AromaticContact CG-CE2 3.65Å; W54-Y174 HydrophobicContact CG-CE2 3.65Å; W54-Y174 AromaticContact CH2-CD1 3.68Å; W54-Y174 HydrophobicContact CH2-CD1 3.68Å; W54-Y174 AromaticContact CH2-CD2 3.66Å; W54-Y174 HydrophobicContact CH2-CD2 3.66Å; W54-Y174 HydrophobicContact CH2-CE1 4.35Å; W54-Y174 HydrophobicContact CH2-CE2 4.33Å; W54-Y174 AromaticContact CH2-CG 3.27Å; W54-Y174 HydrophobicContact CH2-CG 3.27Å; W54-Y174 AromaticContact CZ2-CD1 3.39Å; W54-Y174 HydrophobicContact CZ2-CD1 3.39Å; W54-Y174 AromaticContact CZ2-CD2 3.52Å; W54-Y174 HydrophobicContact CZ2-CD2 3.52Å; W54-Y174 AromaticContact CZ2-CE1 3.59Å; W54-Y174 HydrophobicContact CZ2-CE1 3.59Å; W54-Y174 AromaticContact CZ2-CE2 3.73Å; W54-Y174 HydrophobicContact CZ2-CE2 3.73Å; W54-Y174 AromaticContact CZ2-CG 3.33Å; W54-Y174 HydrophobicContact CZ2-CG 3.33Å; W54-Y174 AromaticContact CZ2-CZ 3.75Å; W54-Y174 AromaticContact CZ3-CD2 3.7Å; W54-Y174 HydrophobicContact CZ3-CD2 3.7Å; W54-Y174 AromaticContact CZ3-CG 3.67Å; W54-Y174 HydrophobicContact CZ3-CG 3.67Å; W54-Y174 AromaticContact NE1-CD2 3.96Å; W54-Y174 AromaticContact NE1-CE1 3.99Å; W54-Y174 AromaticContact NE1-CE2 3.31Å; W54-Y174 VanDerWaalsContact NE1-CE2 3.31Å; W54-Y174 AromaticContact NE1-CZ 3.31Å; W54-Y174 VanDerWaalsContact NE1-CZ 3.31Å; W54-Y174 PolarHBondContact NE1-OH 3.24Å
55Q97.9Very high97.4Very high8 Ų827.1 Ų27.14%0.03715%0.154CC..Hα-helixtrans-56.5-47.5175.9-175.5-176.471.100110.9E51 A52 L53 R59 L68 F72 Q95 H98E51-Q55 VanDerWaalsContact O-CB 3.31Å; E51-Q55 WeakPolarHBondContact O-CB 3.42Å; E51-Q55 PolarHBondContact O-N 2.73Å; A52-Q55 WeakPolarHBondContact O-CB 3.42Å; A52-Q55 PolarHBondContact O-N 2.65Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 2.95Å; Q55-R59 VanDerWaalsContact CD-NH2 3.25Å; Q55-R59 VanDerWaalsContact CG-CZ 3.49Å; Q55-R59 WeakPolarHBondContact O-CB 3.29Å; Q55-R59 VanDerWaalsContact O-CG 3.29Å; Q55-R59 WeakPolarHBondContact O-CG 3.39Å; Q55-R59 PolarHBondContact O-N 3.37Å; Q55-L68 HydrophobicContact CG-CD1 4.15Å; Q55-F72 HydrophobicContact CB-CE2 4.41Å; Q55-Q95 VanDerWaalsContact OE1-OE1 3.1Å; Q55-H98 PolarHBondContact NE2-NE2 3.41Å
56E97.2Very high97.3Very high95 Ų9530.3 Ų30.344%0.44418%0.176SC..Hα-helixtrans-63.8-46177.7-67.2-55.9128.100112.4A52 L53 W54 Y58 R59 A60A52-E56 WeakPolarHBondContact O-CG 3.43Å; A52-E56 PolarHBondContact O-N 3.24Å; L53-E56 PolarHBondContact O-N 3.16Å; W54-E56 VanDerWaalsContact C-N 3.33Å; W54-E56 PolarHBondContact O-N 3.49Å; E56-Y58 PolarHBondContact O-N 3.43Å; E56-R59 PolarHBondContact O-N 2.87Å; E56-R59 IonicContact OE1-NH1 3.5Å; E56-R59 PolarHBondContact OE1-NH1 3.05Å; E56-A60 WeakPolarHBondContact O-CB 3.33Å; E56-A60 PolarHBondContact O-N 3.26Å
57V98.3Very high97.2Very high10 Ų1031.4 Ų31.46%0.06118%0.182CC..Hα-helixtrans-60.5-48.3178.6170.70000111.2L53 W54 A60 L61 L173 Y174 E177L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.45Å; L53-V57 PolarHBondContact O-N 3.11Å; W54-V57 HydrophobicContact CE3-CB 4.41Å; W54-V57 HydrophobicContact CE3-CG1 4.35Å; W54-V57 HydrophobicContact CZ3-CG1 4.26Å; W54-V57 PolarHBondContact O-N 2.93Å; V57-A60 WeakPolarHBondContact O-CB 3.46Å; V57-A60 PolarHBondContact O-N 3.11Å; V57-L61 HydrophobicContact CG1-CD1 4.27Å; V57-L61 WeakPolarHBondContact O-CG 3.37Å; V57-L61 PolarHBondContact O-N 2.9Å; V57-L173 HydrophobicContact CG1-CB 4.2Å; V57-Y174 HydrophobicContact CG2-CD2 4.3Å; V57-E177 HydrophobicContact CG2-CB 4.22Å
58Y98.4Very high97.4Very high1 Ų131.1 Ų31.10%0.00418%0.18CC..Hα-helixtrans-70.4-35.5-178.1-70.7-45.4000112.7W54 E56 A60 L61 G62 L63 L68 F71 P129W54-Y58 HydrophobicContact CB-CD2 4.12Å; W54-Y58 HydrophobicContact CB-CE2 3.94Å; W54-Y58 AromaticContact CD2-CE2 3.93Å; W54-Y58 HydrophobicContact CD2-CE2 3.93Å; W54-Y58 HydrophobicContact CE3-CD2 4.16Å; W54-Y58 HydrophobicContact CE3-CE1 4.07Å; W54-Y58 AromaticContact CE3-CE2 3.46Å; W54-Y58 HydrophobicContact CE3-CE2 3.46Å; W54-Y58 VanDerWaalsContact CE3-CE2 3.46Å; W54-Y58 AromaticContact CE3-CZ 3.39Å; W54-Y58 HydrophobicContact CG-CE2 4.16Å; W54-Y58 HydrophobicContact CZ3-CE1 4.17Å; W54-Y58 HydrophobicContact CZ3-CE2 4.28Å; W54-Y58 AromaticContact CZ3-CZ 3.73Å; W54-Y58 WeakPolarHBondContact O-CB 3.28Å; W54-Y58 WeakPolarHBondContact O-CD2 3.4Å; W54-Y58 PolarHBondContact O-N 2.84Å; E56-Y58 PolarHBondContact O-N 3.43Å; Y58-A60 VanDerWaalsContact C-N 3.34Å; Y58-L61 HydrophobicContact CD1-CD1 4.15Å; Y58-L61 PolarHBondContact O-N 3.39Å; Y58-G62 PolarHBondContact O-N 2.91Å; Y58-G62 VanDerWaalsContact O-N 3.16Å; Y58-L63 HydrophobicContact CD1-CD1 4.24Å; Y58-L63 HydrophobicContact CG-CD2 4.38Å; Y58-L63 WeakPolarHBondContact O-CB 2.91Å; Y58-L63 PolarHBondContact O-N 2.83Å; Y58-L68 HydrophobicContact CD2-CD2 4.11Å; Y58-L68 HydrophobicContact CG-CD2 4.26Å; Y58-F71 HydrophobicContact CE2-CD1 4.15Å; Y58-F71 AromaticContact CE2-CE1 3.75Å; Y58-F71 HydrophobicContact CE2-CE1 3.75Å; Y58-F71 HydrophobicContact CE2-CZ 4.32Å; Y58-P129 HydrophobicContact CD1-CG 3.95Å; Y58-P129 HydrophobicContact CD2-CG 4.29Å; Y58-P129 HydrophobicContact CE1-CG 3.8Å; Y58-P129 HydrophobicContact CE2-CG 4.14Å; Y58-P129 HydrophobicContact CG-CG 4.22Å; Y58-P129 WeakPolarHBondContact OH-CD 3.34Å
59R97.7Very high97.2Very high73 Ų7335.3 Ų35.328%0.27520%0.199SC..Hα-helixtrans-60.9-44169.8-78.3-178.9178.3140.45.1111.4Q55 E56 L61 G62 E65 L68Q55-R59 VanDerWaalsContact CD-NH2 3.25Å; Q55-R59 VanDerWaalsContact CG-CZ 3.49Å; Q55-R59 WeakPolarHBondContact O-CB 3.29Å; Q55-R59 VanDerWaalsContact O-CG 3.29Å; Q55-R59 WeakPolarHBondContact O-CG 3.39Å; Q55-R59 PolarHBondContact O-N 3.37Å; E56-R59 PolarHBondContact O-N 2.87Å; E56-R59 IonicContact OE1-NH1 3.5Å; E56-R59 PolarHBondContact OE1-NH1 3.05Å; R59-L61 PolarHBondContact O-N 2.74Å; R59-G62 WeakPolarHBondContact O-CA 3.23Å; R59-G62 PolarHBondContact O-N 2.67Å; R59-E65 IonicContact CZ-OE1 3.65Å; R59-E65 VanDerWaalsContact CZ-OE1 3.28Å; R59-E65 IonicContact CZ-OE2 3.18Å; R59-E65 IonicContact NE-OE1 3.24Å; R59-E65 PolarHBondContact NE-OE1 2.85Å; R59-E65 IonicContact NE-OE2 2.82Å; R59-E65 VanDerWaalsContact NH2-CD 3.3Å; R59-E65 IonicContact NH2-OE1 2.71Å; R59-E65 PolarHBondContact NH2-OE1 3.41Å; R59-E65 IonicContact NH2-OE2 2.68Å; R59-E65 PolarHBondContact NH2-OE2 3.19Å; R59-L68 HydrophobicContact CG-CD1 3.9Å
60A97.3Very high97.2Very high91 Ų9139.6 Ų39.675%0.75222%0.219SC*.Hα-helixtrans-62.8-30.5177.400000112.8E56 V57 Y58 G62E56-A60 WeakPolarHBondContact O-CB 3.33Å; E56-A60 PolarHBondContact O-N 3.26Å; V57-A60 WeakPolarHBondContact O-CB 3.46Å; V57-A60 PolarHBondContact O-N 3.11Å; Y58-A60 VanDerWaalsContact C-N 3.34Å; A60-G62 VanDerWaalsContact C-N 3.31Å
61L97.6Very high97.2Very high22 Ų2239.9 Ų39.912%0.11522%0.22CC..Hα-helixtrans-76.1-16.1172.4-67172.4000113.4V57 Y58 R59 L63 I132 L135 I170 L173V57-L61 HydrophobicContact CG1-CD1 4.27Å; V57-L61 WeakPolarHBondContact O-CG 3.37Å; V57-L61 PolarHBondContact O-N 2.9Å; Y58-L61 HydrophobicContact CD1-CD1 4.15Å; Y58-L61 PolarHBondContact O-N 3.39Å; R59-L61 PolarHBondContact O-N 2.74Å; L61-L63 HydrophobicContact CB-CD1 4.45Å; L61-I132 HydrophobicContact CD1-CD1 4.18Å; L61-L135 WeakPolarHBondContact O-CD1 3.45Å; L61-I170 HydrophobicContact CD1-CD1 4.37Å; L61-I170 HydrophobicContact CD1-CG1 4.06Å; L61-L173 HydrophobicContact CD2-CD1 3.75Å; L61-L173 HydrophobicContact CG-CD1 4.42Å
62G97.9Very high97.2Very high36 Ų3640 Ų4037%0.37122%0.22SC..THydrogen-bonded Turntrans102.920.7177.200000115.3Y58 R59 A60 R134Y58-G62 PolarHBondContact O-N 2.91Å; Y58-G62 VanDerWaalsContact O-N 3.16Å; R59-G62 WeakPolarHBondContact O-CA 3.23Å; R59-G62 PolarHBondContact O-N 2.67Å; A60-G62 VanDerWaalsContact C-N 3.31Å; G62-R134 PolarHBondContact O-NH2 2.93Å
63L98.1Very high97.2Very high10 Ų1039.7 Ų39.75%0.05222%0.218CC..  trans-69.8143.7168.2-84.882000110.4Y58 L61 E67 L68 P129 I132 L135Y58-L63 HydrophobicContact CD1-CD1 4.24Å; Y58-L63 HydrophobicContact CG-CD2 4.38Å; Y58-L63 WeakPolarHBondContact O-CB 2.91Å; Y58-L63 PolarHBondContact O-N 2.83Å; L61-L63 HydrophobicContact CB-CD1 4.45Å; L63-E67 WeakPolarHBondContact CA-OE2 3.24Å; L63-E67 HydrophobicContact CB-CB 4.45Å; L63-E67 HydrophobicContact CD2-CB 3.98Å; L63-E67 HydrophobicContact CG-CB 4.33Å; L63-L68 HydrophobicContact CB-CD2 4.33Å; L63-L68 HydrophobicContact CB-CG 4.44Å; L63-L68 HydrophobicContact CD2-CD2 4.22Å; L63-P129 HydrophobicContact CD2-CB 3.73Å; L63-P129 HydrophobicContact CD2-CG 3.34Å; L63-I132 HydrophobicContact CD1-CD1 3.85Å; L63-I132 HydrophobicContact CD1-CG1 4.42Å; L63-L135 HydrophobicContact CD1-CD1 3.41Å; L63-L135 VanDerWaalsContact CD1-CD1 3.41Å; L63-L135 HydrophobicContact CG-CD1 4.18Å
64N96.3Very high97.2Very high67 Ų6739.5 Ų39.536%0.35822%0.217SC..  trans-91.2167.3172.465.955.7000111.3S66 E67 L68N64-S66 VanDerWaalsContact C-N 3.34Å; N64-S66 PolarHBondContact O-N 3.04Å; N64-S66 PolarHBondContact OD1-N 2.96Å; N64-S66 VanDerWaalsContact OD1-N 3.12Å; N64-S66 PolarHBondContact OD1-OG 3.46Å; N64-E67 PolarHBondContact N-OE2 2.98Å; N64-E67 VanDerWaalsContact ND2-CD 3.34Å; N64-E67 PolarHBondContact ND2-OE2 3.25Å; N64-E67 PolarHBondContact O-N 3.11Å; N64-E67 VanDerWaalsContact O-N 3.13Å; N64-E67 WeakPolarHBondContact OD1-CG 3.12Å; N64-E67 PolarHBondContact OD1-N 3.29Å; N64-L68 PolarHBondContact O-N 2.99Å
65E95.3Very high97.2Very high87 Ų8738.5 Ų38.541%0.40721%0.213SC..Hα-helixtrans-58.5-41.8-178-63-56.1131.800112.8R59 E67 L68 E69R59-E65 IonicContact CZ-OE1 3.65Å; R59-E65 VanDerWaalsContact CZ-OE1 3.28Å; R59-E65 IonicContact CZ-OE2 3.18Å; R59-E65 IonicContact NE-OE1 3.24Å; R59-E65 PolarHBondContact NE-OE1 2.85Å; R59-E65 IonicContact NE-OE2 2.82Å; R59-E65 VanDerWaalsContact NH2-CD 3.3Å; R59-E65 IonicContact NH2-OE1 2.71Å; R59-E65 PolarHBondContact NH2-OE1 3.41Å; R59-E65 IonicContact NH2-OE2 2.68Å; R59-E65 PolarHBondContact NH2-OE2 3.19Å; E65-E67 VanDerWaalsContact C-N 3.26Å; E65-E67 PolarHBondContact O-N 2.91Å; E65-L68 WeakPolarHBondContact O-CB 3.25Å; E65-L68 PolarHBondContact O-N 3.45Å; E65-E69 WeakPolarHBondContact O-CG 3.35Å; E65-E69 PolarHBondContact O-N 3.08Å
66S95.9Very high97.2Very high67 Ų6738.1 Ų38.147%0.46921%0.211SC..Hα-helixtrans-62.5-32.617960.70000113.1N64 L68 E70N64-S66 VanDerWaalsContact C-N 3.34Å; N64-S66 PolarHBondContact O-N 3.04Å; N64-S66 PolarHBondContact OD1-N 2.96Å; N64-S66 VanDerWaalsContact OD1-N 3.12Å; N64-S66 PolarHBondContact OD1-OG 3.46Å; S66-L68 VanDerWaalsContact C-N 3.34Å; S66-E70 WeakPolarHBondContact O-CB 3.49Å; S66-E70 WeakPolarHBondContact O-CG 3.41Å; S66-E70 PolarHBondContact O-N 3.4Å
67E97.1Very high97.3Very high23 Ų2333.6 Ų33.611%0.10719%0.19CC..Hα-helixtrans-72.4-29.2175.6-69.5168.5147.300112.3L63 N64 E65 F71 G131 R134L63-E67 WeakPolarHBondContact CA-OE2 3.24Å; L63-E67 HydrophobicContact CB-CB 4.45Å; L63-E67 HydrophobicContact CD2-CB 3.98Å; L63-E67 HydrophobicContact CG-CB 4.33Å; N64-E67 PolarHBondContact N-OE2 2.98Å; N64-E67 VanDerWaalsContact ND2-CD 3.34Å; N64-E67 PolarHBondContact ND2-OE2 3.25Å; N64-E67 PolarHBondContact O-N 3.11Å; N64-E67 VanDerWaalsContact O-N 3.13Å; N64-E67 WeakPolarHBondContact OD1-CG 3.12Å; N64-E67 PolarHBondContact OD1-N 3.29Å; E65-E67 VanDerWaalsContact C-N 3.26Å; E65-E67 PolarHBondContact O-N 2.91Å; E67-F71 PolarHBondContact O-N 3.37Å; E67-G131 WeakPolarHBondContact OE1-CA 3.1Å; E67-R134 IonicContact OE1-CZ 3.45Å; E67-R134 IonicContact OE1-NE 2.83Å; E67-R134 PolarHBondContact OE1-NE 2.79Å; E67-R134 IonicContact OE1-NH2 2.8Å; E67-R134 PolarHBondContact OE1-NH2 3.41Å; E67-R134 IonicContact OE2-CZ 2.81Å; E67-R134 IonicContact OE2-NE 3.71Å; E67-R134 IonicContact OE2-NH2 3.65Å; E67-R134 PolarHBondContact OE2-NH2 3.24Å
68L97.1Very high97.3Very high4 Ų433.3 Ų33.32%0.02119%0.188CC..Hα-helixtrans-75.5-40.7173.9-62.8169.4000111.2Q55 Y58 R59 L63 N64 E65 S66 E70 F71 F72Q55-L68 HydrophobicContact CG-CD1 4.15Å; Y58-L68 HydrophobicContact CD2-CD2 4.11Å; Y58-L68 HydrophobicContact CG-CD2 4.26Å; R59-L68 HydrophobicContact CG-CD1 3.9Å; L63-L68 HydrophobicContact CB-CD2 4.33Å; L63-L68 HydrophobicContact CB-CG 4.44Å; L63-L68 HydrophobicContact CD2-CD2 4.22Å; N64-L68 PolarHBondContact O-N 2.99Å; E65-L68 WeakPolarHBondContact O-CB 3.25Å; E65-L68 PolarHBondContact O-N 3.45Å; S66-L68 VanDerWaalsContact C-N 3.34Å; L68-E70 VanDerWaalsContact C-N 3.26Å; L68-E70 PolarHBondContact O-N 3.4Å; L68-F71 PolarHBondContact O-N 3Å; L68-F72 HydrophobicContact CD2-CE2 4.38Å; L68-F72 WeakPolarHBondContact O-CD2 3.08Å; L68-F72 PolarHBondContact O-N 3.48Å; L68-F72 VanDerWaalsContact O-N 3.07Å
69E94.5Very high97.3Very high101 Ų10133.3 Ų33.347%0.47219%0.188SC..Hα-helixtrans-63.5-31173.9-69.3-176.8168.600112.4E65 F71 P92E65-E69 WeakPolarHBondContact O-CG 3.35Å; E65-E69 PolarHBondContact O-N 3.08Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-P92 HydrophobicContact CB-CB 3.92Å; E69-P92 HydrophobicContact CG-CB 3.62Å; E69-P92 HydrophobicContact CG-CG 4.43Å
70E94.6Very high97.3Very high92 Ų9230.2 Ų30.243%0.4318%0.177SC..THydrogen-bonded Turntrans-75.7-19.2171.9-76.9-172.3166.900113.5S66 L68S66-E70 WeakPolarHBondContact O-CB 3.49Å; S66-E70 WeakPolarHBondContact O-CG 3.41Å; S66-E70 PolarHBondContact O-N 3.4Å; L68-E70 VanDerWaalsContact C-N 3.26Å; L68-E70 PolarHBondContact O-N 3.4Å
71F97Very high97.3Very high15 Ų1526.1 Ų26.17%0.06614%0.142CC..THydrogen-bonded Turntrans-91.9-50-176.3-178.5-113.5000112.8Y58 E67 L68 E69 N81 D87 P129Y58-F71 HydrophobicContact CE2-CD1 4.15Å; Y58-F71 AromaticContact CE2-CE1 3.75Å; Y58-F71 HydrophobicContact CE2-CE1 3.75Å; Y58-F71 HydrophobicContact CE2-CZ 4.32Å; E67-F71 PolarHBondContact O-N 3.37Å; L68-F71 PolarHBondContact O-N 3Å; E69-F71 VanDerWaalsContact C-N 3.33Å; F71-N81 PolarHBondContact O-ND2 2.91Å; F71-D87 WeakPolarHBondContact O-CB 3.2Å; F71-P129 HydrophobicContact CB-CB 3.9Å; F71-P129 HydrophobicContact CD2-CB 3.61Å; F71-P129 HydrophobicContact CD2-CG 4.38Å; F71-P129 HydrophobicContact CE2-CB 4.25Å; F71-P129 HydrophobicContact CG-CB 3.77Å; F71-P129 HydrophobicContact CG-CG 4.45Å
72F97.8Very high97.3Very high6 Ų627.1 Ų27.13%0.02614%0.144CC..  trans-78.5134.4-176.5-63.1-59.6000111.6E51 W54 Q55 L68 K88 L93E51-F72 HydrophobicContact CB-CD1 4.14Å; E51-F72 HydrophobicContact CB-CE1 3.84Å; E51-F72 HydrophobicContact CB-CZ 4.16Å; E51-F72 HydrophobicContact CG-CD1 3.68Å; E51-F72 HydrophobicContact CG-CE1 3.71Å; E51-F72 HydrophobicContact CG-CG 4.48Å; W54-F72 HydrophobicContact CB-CE1 4.04Å; W54-F72 HydrophobicContact CB-CZ 3.71Å; Q55-F72 HydrophobicContact CB-CE2 4.41Å; L68-F72 HydrophobicContact CD2-CE2 4.38Å; L68-F72 WeakPolarHBondContact O-CD2 3.08Å; L68-F72 PolarHBondContact O-N 3.48Å; L68-F72 VanDerWaalsContact O-N 3.07Å; F72-K88 WeakPolarHBondContact O-CA 3.42Å; F72-L93 HydrophobicContact CB-CD1 3.61Å; F72-L93 HydrophobicContact CB-CG 3.93Å; F72-L93 HydrophobicContact CD1-CD1 4.34Å; F72-L93 HydrophobicContact CD2-CD1 4.41Å; F72-L93 HydrophobicContact CG-CD1 3.9Å
73S97.9Very high97.3Very high0 Ų025.8 Ų25.80%013%0.128CC..  trans-77.5175167.967.40000111.1F77 N81 F89 L93S73-F77 PolarHBondContact OG-O 2.88Å; S73-N81 VanDerWaalsContact OG-CB 3.26Å; S73-N81 WeakPolarHBondContact OG-CB 3.26Å; S73-F89 CarbonylContact C-O 3.52Å; S73-F89 WeakPolarHBondContact CA-O 3.42Å; S73-F89 VanDerWaalsContact CB-O 3.31Å; S73-F89 WeakPolarHBondContact CB-O 3.2Å; S73-L93 VanDerWaalsContact O-CD2 3.28Å; S73-L93 WeakPolarHBondContact O-CD2 3.5Å; S73-L93 VanDerWaalsContact O-CG 3.25Å; S73-L93 WeakPolarHBondContact O-CG 3.5Å
74G98.3Very high97.2Very high0 Ų025.3 Ų25.30%013%0.126CC..  trans-66.9161.8170.500000112.5A76 F77 F89 G90 N519G74-A76 PolarHBondContact O-N 3.3Å; G74-A76 VanDerWaalsContact O-N 3.08Å; G74-F77 PolarHBondContact O-N 3.47Å; G74-F89 PolarHBondContact N-O 2.9Å; G74-G90 WeakPolarHBondContact CA-O 3.4Å; G74-G90 VanDerWaalsContact N-C 3.35Å; G74-N519 WeakPolarHBondContact CA-OD1 3.47Å
75P98.4Very high97.2Very high1 Ų122.1 Ų22.11%0.00611%0.109CC..G310 helixtrans-52.8-38.7-173.8-29.937.5000114.7V22 W23 F77 L93 W97 Y516V22-P75 VanDerWaalsContact CG2-C 3.45Å; V22-P75 HydrophobicContact CG2-CB 3.6Å; V22-P75 VanDerWaalsContact CG2-O 3.29Å; V22-P75 WeakPolarHBondContact CG2-O 3.43Å; W23-P75 HydrophobicContact CH2-CB 3.67Å; W23-P75 HydrophobicContact CH2-CG 4.09Å; W23-P75 HydrophobicContact CZ3-CB 3.79Å; W23-P75 HydrophobicContact CZ3-CG 4.18Å; P75-F77 PolarHBondContact O-N 3.44Å; P75-L93 HydrophobicContact CG-CD2 3.81Å; P75-W97 HydrophobicContact CB-CD2 4.34Å; P75-W97 HydrophobicContact CB-CE3 4.11Å; P75-W97 HydrophobicContact CB-CH2 3.57Å; P75-W97 HydrophobicContact CB-CZ2 3.78Å; P75-W97 HydrophobicContact CB-CZ3 3.73Å; P75-W97 HydrophobicContact CG-CD2 4.05Å; P75-W97 HydrophobicContact CG-CE3 3.89Å; P75-W97 HydrophobicContact CG-CH2 4.26Å; P75-W97 HydrophobicContact CG-CZ2 4.38Å; P75-W97 HydrophobicContact CG-CZ3 4Å; P75-Y516 HydrophobicContact CG-CD1 3.94Å; P75-Y516 HydrophobicContact CG-CE1 3.61Å
76A98.5Very high97.3Very high0 Ų018 Ų180%09%0.089CC..G310 helixtrans-73.8-5-177.300000113.6S18 W23 G74 N519 Q523S18-A76 WeakPolarHBondContact CB-O 3.4Å; W23-A76 HydrophobicContact CZ2-CB 4.31Å; G74-A76 PolarHBondContact O-N 3.3Å; G74-A76 VanDerWaalsContact O-N 3.08Å; A76-N519 HydrophobicContact CB-CB 3.83Å; A76-N519 PolarHBondContact N-OD1 3.02Å; A76-Q523 HydrophobicContact CB-CB 4.06Å; A76-Q523 HydrophobicContact CB-CG 4.35Å; A76-Q523 PolarHBondContact O-NE2 3.02Å
77F98.6Very high97.2Very high0 Ų015.9 Ų15.90%07%0.073CC..G310 helixtrans-123.211.8-175.5-55.3-75.5000112.9S73 G74 P75 A79 W80 N81 M86 F89 N522 Q523 W527S73-F77 PolarHBondContact OG-O 2.88Å; G74-F77 PolarHBondContact O-N 3.47Å; P75-F77 PolarHBondContact O-N 3.44Å; F77-A79 VanDerWaalsContact C-N 3.32Å; F77-A79 PolarHBondContact O-N 2.81Å; F77-W80 HydrophobicContact CB-CE3 4.35Å; F77-W80 HydrophobicContact CD1-CE3 4.34Å; F77-W80 HydrophobicContact CD1-CZ3 4.32Å; F77-W80 PolarHBondContact O-N 3.28Å; F77-N81 PolarHBondContact O-N 3.26Å; F77-M86 HydrophobicContact CB-CE 3.94Å; F77-M86 HydrophobicContact CB-SD 3.94Å; F77-M86 HydrophobicContact CD1-CE 4.33Å; F77-M86 HydrophobicContact CD1-SD 4.43Å; F77-M86 HydrophobicContact CG-CE 4.2Å; F77-F89 HydrophobicContact CD1-CD1 4.32Å; F77-F89 HydrophobicContact CD1-CE1 4.44Å; F77-F89 AromaticContact CD2-CD1 3.94Å; F77-F89 HydrophobicContact CD2-CD1 3.94Å; F77-F89 HydrophobicContact CD2-CE1 4.15Å; F77-F89 HydrophobicContact CE1-CD1 4.24Å; F77-F89 AromaticContact CE1-CE1 3.9Å; F77-F89 HydrophobicContact CE1-CE1 3.9Å; F77-F89 AromaticContact CE2-CD1 3.85Å; F77-F89 HydrophobicContact CE2-CD1 3.85Å; F77-F89 AromaticContact CE2-CE1 3.57Å; F77-F89 HydrophobicContact CE2-CE1 3.57Å; F77-F89 HydrophobicContact CG-CD1 4.19Å; F77-F89 HydrophobicContact CZ-CD1 4.02Å; F77-F89 AromaticContact CZ-CE1 3.44Å; F77-F89 HydrophobicContact CZ-CE1 3.44Å; F77-F89 VanDerWaalsContact CZ-CE1 3.44Å; F77-F89 HydrophobicContact CZ-CZ 4.46Å; F77-N522 HydrophobicContact CZ-CB 4.33Å; F77-N522 WeakPolarHBondContact CZ-OD1 3.49Å; F77-Q523 HydrophobicContact CE1-CB 4.32Å; F77-Q523 HydrophobicContact CZ-CB 4.22Å; F77-W527 WeakPolarHBondContact CE1-O 3.45Å
78L98.5Very high97.2Very high3 Ų318.9 Ų18.92%0.0169%0.086CC..Hα-helixtrans-69-27.6-173.4-70174.5000113.4E51 W80 N81 R82 L93 W97E51-L78 HydrophobicContact CG-CD1 4.47Å; E51-L78 HydrophobicContact CG-CD2 3.95Å; L78-W80 VanDerWaalsContact C-N 3.35Å; L78-W80 PolarHBondContact O-N 2.84Å; L78-N81 PolarHBondContact O-N 3.26Å; L78-R82 WeakPolarHBondContact O-CB 3.5Å; L78-R82 WeakPolarHBondContact O-CD 3.39Å; L78-R82 WeakPolarHBondContact O-CG 3.41Å; L78-R82 PolarHBondContact O-N 3.21Å; L78-L93 HydrophobicContact CD1-CD2 4.48Å; L78-L93 HydrophobicContact CD2-CD1 3.98Å; L78-L93 HydrophobicContact CD2-CD2 4.43Å; L78-W97 HydrophobicContact CD1-CZ2 3.82Å
79A98.1Very high97.3Very high1 Ų119.4 Ų19.41%0.0089%0.088CC..Hα-helixtrans-54.9-51.7174.200000111.3V14 V17 S18 F77 R82 M83V14-A79 VanDerWaalsContact O-CB 3.25Å; V14-A79 WeakPolarHBondContact O-CB 3.27Å; V17-A79 HydrophobicContact CG2-CB 4.12Å; S18-A79 VanDerWaalsContact OG-CB 3.28Å; S18-A79 WeakPolarHBondContact OG-CB 3.42Å; S18-A79 PolarHBondContact OG-N 2.77Å; F77-A79 VanDerWaalsContact C-N 3.32Å; F77-A79 PolarHBondContact O-N 2.81Å; A79-R82 PolarHBondContact O-N 3.11Å; A79-M83 HydrophobicContact CB-CE 4.43Å; A79-M83 WeakPolarHBondContact O-CE 3.36Å; A79-M83 WeakPolarHBondContact O-CG 3.36Å; A79-M83 PolarHBondContact O-N 2.93Å; A79-M83 VanDerWaalsContact O-N 3.08Å
80W98.2Very high97.4Very high8 Ų815 Ų153%0.037%0.069CC..Hα-helixtrans-74.2-25.3-179.4-58.8-77.2000113.2Y19 F77 L78 M83 A84 N85 M86 W147 W527Y19-W80 HydrophobicContact CD1-CH2 4.11Å; Y19-W80 HydrophobicContact CD2-CH2 4.12Å; Y19-W80 HydrophobicContact CD2-CZ2 4.29Å; Y19-W80 AromaticContact CE1-CH2 3.42Å; Y19-W80 HydrophobicContact CE1-CH2 3.42Å; Y19-W80 VanDerWaalsContact CE1-CH2 3.42Å; Y19-W80 HydrophobicContact CE1-CZ2 4.07Å; Y19-W80 HydrophobicContact CE1-CZ3 4.36Å; Y19-W80 AromaticContact CE2-CH2 3.5Å; Y19-W80 HydrophobicContact CE2-CH2 3.5Å; Y19-W80 VanDerWaalsContact CE2-CH2 3.5Å; Y19-W80 AromaticContact CE2-CZ2 3.38Å; Y19-W80 HydrophobicContact CE2-CZ2 3.38Å; Y19-W80 HydrophobicContact CG-CH2 4.41Å; Y19-W80 AromaticContact CZ-CH2 3.1Å; Y19-W80 AromaticContact CZ-CZ2 3.25Å; Y19-W80 VanDerWaalsContact OH-CH2 3.23Å; Y19-W80 WeakPolarHBondContact OH-CH2 3.25Å; Y19-W80 WeakPolarHBondContact OH-CZ2 3.27Å; F77-W80 HydrophobicContact CB-CE3 4.35Å; F77-W80 HydrophobicContact CD1-CE3 4.34Å; F77-W80 HydrophobicContact CD1-CZ3 4.32Å; F77-W80 PolarHBondContact O-N 3.28Å; L78-W80 VanDerWaalsContact C-N 3.35Å; L78-W80 PolarHBondContact O-N 2.84Å; W80-M83 HydrophobicContact CG-CE 4.21Å; W80-A84 PolarHBondContact O-N 2.99Å; W80-N85 HydrophobicContact CB-CB 4.04Å; W80-N85 WeakPolarHBondContact O-CB 3.39Å; W80-N85 PolarHBondContact O-N 3.37Å; W80-M86 HydrophobicContact CB-CG 3.58Å; W80-M86 HydrophobicContact CB-SD 3.62Å; W80-M86 HydrophobicContact CE3-SD 4.46Å; W80-M86 HydrophobicContact CG-SD 4.36Å; W80-M86 PolarHBondContact O-N 2.74Å; W80-W147 AromaticContact CD1-CH2 3.77Å; W80-W147 AromaticContact CD1-CZ2 3.93Å; W80-W147 HydrophobicContact CG-CH2 4.31Å; W80-W527 HydrophobicContact CB-CH2 4.39Å; W80-W527 AromaticContact CD2-CH2 3.58Å; W80-W527 HydrophobicContact CD2-CH2 3.58Å; W80-W527 AromaticContact CD2-CZ2 3.32Å; W80-W527 HydrophobicContact CD2-CZ2 3.32Å; W80-W527 AromaticContact CE2-CZ2 3.37Å; W80-W527 AromaticContact CE3-CH2 3.85Å; W80-W527 HydrophobicContact CE3-CH2 3.85Å; W80-W527 AromaticContact CE3-CZ2 3.52Å; W80-W527 HydrophobicContact CE3-CZ2 3.52Å; W80-W527 AromaticContact CG-CH2 3.75Å; W80-W527 HydrophobicContact CG-CH2 3.75Å; W80-W527 AromaticContact CG-CZ2 3.94Å; W80-W527 HydrophobicContact CG-CZ2 3.94Å; W80-W527 AromaticContact CH2-CZ2 3.92Å; W80-W527 HydrophobicContact CH2-CZ2 3.92Å; W80-W527 AromaticContact CZ2-CZ2 3.7Å; W80-W527 HydrophobicContact CZ2-CZ2 3.7Å; W80-W527 AromaticContact CZ3-CZ2 3.8Å; W80-W527 HydrophobicContact CZ3-CZ2 3.8Å; W80-W527 AromaticContact NE1-CZ2 3.79Å
81N97.7Very high97.5Very high5 Ų511.5 Ų11.53%0.0276%0.058CC..Hα-helixtrans-69.7-43.2171-178.7-125000112.6F71 S73 F77 L78 M83 A84 M86F71-N81 PolarHBondContact O-ND2 2.91Å; S73-N81 VanDerWaalsContact OG-CB 3.26Å; S73-N81 WeakPolarHBondContact OG-CB 3.26Å; F77-N81 PolarHBondContact O-N 3.26Å; L78-N81 PolarHBondContact O-N 3.26Å; N81-M83 VanDerWaalsContact C-N 3.33Å; N81-M83 PolarHBondContact O-N 3.33Å; N81-A84 WeakPolarHBondContact O-CA 3.5Å; N81-A84 PolarHBondContact O-N 3.06Å; N81-M86 VanDerWaalsContact CA-O 3.24Å; N81-M86 WeakPolarHBondContact CA-O 2.98Å; N81-M86 PolarHBondContact ND2-O 3.01Å
82R97.6Very high97.5Very high44 Ų4413.1 Ų13.117%0.1667%0.07CC..Hα-helixtrans-63.4-39.2175.7-67.2157.9-175.9171.4-2.1112.2Q50 E51 L78 A79 A84Q50-R82 VanDerWaalsContact CD-NE 3.35Å; E51-R82 VanDerWaalsContact CD-NH2 3.25Å; E51-R82 IonicContact OE1-CZ 3.86Å; E51-R82 VanDerWaalsContact OE1-CZ 3.24Å; E51-R82 IonicContact OE1-NE 3.78Å; E51-R82 PolarHBondContact OE1-NE 2.9Å; E51-R82 IonicContact OE1-NH2 3.46Å; E51-R82 PolarHBondContact OE1-NH2 2.85Å; E51-R82 IonicContact OE2-CZ 2.74Å; E51-R82 IonicContact OE2-NE 2.84Å; E51-R82 IonicContact OE2-NH2 3.23Å; E51-R82 PolarHBondContact OE2-NH2 3.35Å; L78-R82 WeakPolarHBondContact O-CB 3.5Å; L78-R82 WeakPolarHBondContact O-CD 3.39Å; L78-R82 WeakPolarHBondContact O-CG 3.41Å; L78-R82 PolarHBondContact O-N 3.21Å; A79-R82 PolarHBondContact O-N 3.11Å; R82-A84 PolarHBondContact O-N 3.4Å
83M97.2Very high97.4Very high7 Ų713.7 Ų13.73%0.0347%0.073CC..THydrogen-bonded Turntrans-76.72.6173.1-68.8-173.3-67.800113.8V14 A79 W80 N81 N85 N194 M196V14-M83 HydrophobicContact CG2-CE 3.99Å; V14-M83 HydrophobicContact CG2-CG 4.18Å; V14-M83 HydrophobicContact CG2-SD 3.42Å; V14-M83 WeakPolarHBondContact CG2-SD 3.48Å; A79-M83 HydrophobicContact CB-CE 4.43Å; A79-M83 WeakPolarHBondContact O-CE 3.36Å; A79-M83 WeakPolarHBondContact O-CG 3.36Å; A79-M83 PolarHBondContact O-N 2.93Å; A79-M83 VanDerWaalsContact O-N 3.08Å; W80-M83 HydrophobicContact CG-CE 4.21Å; N81-M83 VanDerWaalsContact C-N 3.33Å; N81-M83 PolarHBondContact O-N 3.33Å; M83-N85 WeakPolarHBondContact CB-OD1 3.47Å; M83-N85 PolarHBondContact O-N 2.92Å; M83-N194 HydrophobicContact CB-CB 4.45Å; M83-N194 HydrophobicContact CG-CB 4.43Å; M83-N194 HydrophobicContact SD-CB 3.99Å; M83-N194 PolarHBondContact SD-ND2 3.49Å; M83-M196 VanDerWaalsContact O-CE 3.23Å; M83-M196 WeakPolarHBondContact O-CE 3.45Å
84A96.2Very high97.3Very high0 Ų014.7 Ų14.70%08%0.08CC..THydrogen-bonded Turntrans61.923.6178.200000115.1W80 N81 R82 N127 S157 I159 M196W80-A84 PolarHBondContact O-N 2.99Å; N81-A84 WeakPolarHBondContact O-CA 3.5Å; N81-A84 PolarHBondContact O-N 3.06Å; R82-A84 PolarHBondContact O-N 3.4Å; A84-N127 HydrophobicContact CB-CB 3.44Å; A84-N127 VanDerWaalsContact CB-CB 3.44Å; A84-N127 VanDerWaalsContact CB-ND2 3.31Å; A84-N127 WeakPolarHBondContact CB-ND2 3.44Å; A84-S157 WeakPolarHBondContact O-CB 3.16Å; A84-S157 PolarHBondContact O-OG 3.3Å; A84-I159 HydrophobicContact CB-CD1 4.26Å; A84-M196 HydrophobicContact CB-CE 3.88Å
85N97.6Very high97.2Very high0 Ų018.9 Ų18.90%010%0.099CC..SBendtrans-77.5-33.7173.9-57.7116.1000111.9W80 M83 W147 S155 N194W80-N85 HydrophobicContact CB-CB 4.04Å; W80-N85 WeakPolarHBondContact O-CB 3.39Å; W80-N85 PolarHBondContact O-N 3.37Å; M83-N85 WeakPolarHBondContact CB-OD1 3.47Å; M83-N85 PolarHBondContact O-N 2.92Å; N85-W147 HydrophobicContact CB-CB 4.26Å; N85-W147 HydrophobicContact CB-CD2 3.61Å; N85-W147 HydrophobicContact CB-CE3 3.91Å; N85-W147 HydrophobicContact CB-CG 3.76Å; N85-W147 HydrophobicContact CB-CZ3 4.47Å; N85-W147 PolarHBondContact ND2-NE1 3.25Å; N85-W147 WeakPolarHBondContact O-CB 3.14Å; N85-S155 WeakPolarHBondContact O-CB 3.31Å; N85-S155 PolarHBondContact O-OG 2.87Å; N85-N194 PolarHBondContact ND2-O 3.28Å
86M95.9Very high97.2Very high0 Ų019.3 Ų19.30%010%0.103CC..  trans-147.2161.5-174.766.5-177-62.800113.1F77 W80 N81 F89 F150 F154 W527F77-M86 HydrophobicContact CB-CE 3.94Å; F77-M86 HydrophobicContact CB-SD 3.94Å; F77-M86 HydrophobicContact CD1-CE 4.33Å; F77-M86 HydrophobicContact CD1-SD 4.43Å; F77-M86 HydrophobicContact CG-CE 4.2Å; W80-M86 HydrophobicContact CB-CG 3.58Å; W80-M86 HydrophobicContact CB-SD 3.62Å; W80-M86 HydrophobicContact CE3-SD 4.46Å; W80-M86 HydrophobicContact CG-SD 4.36Å; W80-M86 PolarHBondContact O-N 2.74Å; N81-M86 VanDerWaalsContact CA-O 3.24Å; N81-M86 WeakPolarHBondContact CA-O 2.98Å; N81-M86 PolarHBondContact ND2-O 3.01Å; M86-F89 HydrophobicContact CE-CB 3.65Å; M86-F89 HydrophobicContact CE-CD1 3.82Å; M86-F89 HydrophobicContact CE-CG 4.18Å; M86-F150 HydrophobicContact CE-CE1 4.26Å; M86-F150 HydrophobicContact CE-CZ 4.36Å; M86-F154 CarbonylContact C-O 3.58Å; M86-F154 WeakPolarHBondContact CA-O 3.22Å; M86-F154 WeakPolarHBondContact CB-O 3.44Å; M86-W527 HydrophobicContact SD-CH2 3.94Å; M86-W527 HydrophobicContact SD-CZ3 4.05Å
87D95.4Very high97.2Very high24 Ų2419.7 Ų19.713%0.12810%0.104CC..  trans-140.5166.2175.350.841.8000109.9F71 F89 F154 S155F71-D87 WeakPolarHBondContact O-CB 3.2Å; D87-F89 PolarHBondContact O-N 3.4Å; D87-F154 PolarHBondContact N-O 2.88Å; D87-F154 CarbonylContact O-C 2.89Å; D87-F154 WeakPolarHBondContact O-CA 3.44Å; D87-F154 WeakPolarHBondContact OD1-CA 3.2Å; D87-S155 PolarHBondContact OD1-N 2.98Å
88K96.4Very high97.1Very high86 Ų8620 Ų2037%0.37411%0.105SC..SBendtrans63.1-39.9169.2-172.1176.3-176.2166.80118.6F72 G90 G91 F154F72-K88 WeakPolarHBondContact O-CA 3.42Å; K88-G90 PolarHBondContact O-N 3.45Å; K88-G91 PolarHBondContact O-N 2.93Å; K88-F154 HydrophobicContact CB-CD1 4.2Å; K88-F154 HydrophobicContact CD-CD1 4.45Å; K88-F154 HydrophobicContact CD-CE1 4.38Å; K88-F154 HydrophobicContact CG-CD1 4.35Å; K88-F154 HydrophobicContact CG-CE1 4.39Å
89F97.9Very high97.1Very high15 Ų1523.8 Ų23.87%0.06613%0.129CC..THydrogen-bonded Turntrans-62.1134.8-171.9178.5-107.9000111.4S73 G74 F77 M86 D87 G91 F150 F154 G528 P529S73-F89 CarbonylContact C-O 3.52Å; S73-F89 WeakPolarHBondContact CA-O 3.42Å; S73-F89 VanDerWaalsContact CB-O 3.31Å; S73-F89 WeakPolarHBondContact CB-O 3.2Å; G74-F89 PolarHBondContact N-O 2.9Å; F77-F89 HydrophobicContact CD1-CD1 4.32Å; F77-F89 HydrophobicContact CD1-CE1 4.44Å; F77-F89 AromaticContact CD2-CD1 3.94Å; F77-F89 HydrophobicContact CD2-CD1 3.94Å; F77-F89 HydrophobicContact CD2-CE1 4.15Å; F77-F89 HydrophobicContact CE1-CD1 4.24Å; F77-F89 AromaticContact CE1-CE1 3.9Å; F77-F89 HydrophobicContact CE1-CE1 3.9Å; F77-F89 AromaticContact CE2-CD1 3.85Å; F77-F89 HydrophobicContact CE2-CD1 3.85Å; F77-F89 AromaticContact CE2-CE1 3.57Å; F77-F89 HydrophobicContact CE2-CE1 3.57Å; F77-F89 HydrophobicContact CG-CD1 4.19Å; F77-F89 HydrophobicContact CZ-CD1 4.02Å; F77-F89 AromaticContact CZ-CE1 3.44Å; F77-F89 HydrophobicContact CZ-CE1 3.44Å; F77-F89 VanDerWaalsContact CZ-CE1 3.44Å; F77-F89 HydrophobicContact CZ-CZ 4.46Å; M86-F89 HydrophobicContact CE-CB 3.65Å; M86-F89 HydrophobicContact CE-CD1 3.82Å; M86-F89 HydrophobicContact CE-CG 4.18Å; D87-F89 PolarHBondContact O-N 3.4Å; F89-G91 PolarHBondContact O-N 3.15Å; F89-F150 HydrophobicContact CD1-CE1 4.48Å; F89-F150 HydrophobicContact CG-CE1 4.45Å; F89-F154 HydrophobicContact CB-CB 4.28Å; F89-F154 HydrophobicContact CB-CD1 3.79Å; F89-F154 HydrophobicContact CB-CE1 4.37Å; F89-F154 HydrophobicContact CB-CG 4.13Å; F89-F154 HydrophobicContact CD2-CE1 4.47Å; F89-G528 VanDerWaalsContact CZ-C 3.44Å; F89-P529 HydrophobicContact CD2-CB 4.45Å; F89-P529 HydrophobicContact CD2-CG 4.23Å; F89-P529 HydrophobicContact CE2-CB 3.89Å; F89-P529 VanDerWaalsContact CE2-CD 3.41Å; F89-P529 HydrophobicContact CE2-CG 4.06Å
90G97.3Very high97.1Very high7 Ų727 Ų277%0.07215%0.146CC..THydrogen-bonded Turntrans77.1-5.5-176.100000114.9G74 K88 L515 N519G74-G90 WeakPolarHBondContact CA-O 3.4Å; G74-G90 VanDerWaalsContact N-C 3.35Å; K88-G90 PolarHBondContact O-N 3.45Å; G90-L515 VanDerWaalsContact O-CD1 3.31Å; G90-L515 WeakPolarHBondContact O-CD1 3.32Å; G90-N519 PolarHBondContact O-ND2 2.89Å
91G96.4Very high97.1Very high20 Ų2027.4 Ų27.421%0.20615%0.148CC..  trans-86.8-171.117700000113.6K88 F89K88-G91 PolarHBondContact O-N 2.93Å; F89-G91 PolarHBondContact O-N 3.15Å
92P96.7Very high97.1Very high49 Ų4929.1 Ų29.132%0.31816%0.157SC..PPolyproline II helixcis-74.2156.80.930.6-35.7000113E69 P94 L515E69-P92 HydrophobicContact CB-CB 3.92Å; E69-P92 HydrophobicContact CG-CB 3.62Å; E69-P92 HydrophobicContact CG-CG 4.43Å; P92-P94 VanDerWaalsContact O-CD 3.3Å; P92-P94 WeakPolarHBondContact O-CD 3.23Å; P92-L515 WeakPolarHBondContact O-CD2 3.35Å
93L95.8Very high97.1Very high17 Ų1733.8 Ų33.89%0.08918%0.176CC..PPolyproline II helixtrans-70.4120.9169.9-70.2179.4000110.3E51 F72 S73 P75 L78 W97E51-L93 HydrophobicContact CB-CD1 3.96Å; E51-L93 HydrophobicContact CG-CD1 3.79Å; F72-L93 HydrophobicContact CB-CD1 3.61Å; F72-L93 HydrophobicContact CB-CG 3.93Å; F72-L93 HydrophobicContact CD1-CD1 4.34Å; F72-L93 HydrophobicContact CD2-CD1 4.41Å; F72-L93 HydrophobicContact CG-CD1 3.9Å; S73-L93 VanDerWaalsContact O-CD2 3.28Å; S73-L93 WeakPolarHBondContact O-CD2 3.5Å; S73-L93 VanDerWaalsContact O-CG 3.25Å; S73-L93 WeakPolarHBondContact O-CG 3.5Å; P75-L93 HydrophobicContact CG-CD2 3.81Å; L78-L93 HydrophobicContact CD1-CD2 4.48Å; L78-L93 HydrophobicContact CD2-CD1 3.98Å; L78-L93 HydrophobicContact CD2-CD2 4.43Å; L93-W97 HydrophobicContact CD2-CG 4.2Å
94P96.9Very high97.1Very high21 Ų2134 Ų3414%0.13618%0.177CC..PPolyproline II helixtrans-67.4151.9176.5-2033.2000112.1P92 S96 W97 H98 E512 L515 Y516P92-P94 VanDerWaalsContact O-CD 3.3Å; P92-P94 WeakPolarHBondContact O-CD 3.23Å; P94-S96 WeakPolarHBondContact CB-OG 3.43Å; P94-S96 PolarHBondContact O-N 2.88Å; P94-S96 VanDerWaalsContact O-N 3.14Å; P94-W97 WeakPolarHBondContact O-CB 3.19Å; P94-W97 PolarHBondContact O-N 3.4Å; P94-H98 PolarHBondContact O-CD2 3.2Å; P94-E512 HydrophobicContact CB-CG 3.96Å; P94-E512 HydrophobicContact CG-CG 3.77Å; P94-L515 HydrophobicContact CG-CD2 3.96Å; P94-Y516 HydrophobicContact CG-CE1 4.25Å
95Q96.8Very high97.3Very high88 Ų8834 Ų3441%0.41118%0.177SC..Hα-helixtrans-58.7-30.3176.2-164.86126.900113Q55 W97 H98 V99Q55-Q95 VanDerWaalsContact OE1-OE1 3.1Å; Q95-W97 VanDerWaalsContact C-N 3.25Å; Q95-W97 PolarHBondContact O-N 3.12Å; Q95-H98 PolarHBondContact O-N 3.15Å; Q95-V99 PolarHBondContact O-N 3.44Å
96S97.4Very high97.3Very high10 Ų1038.1 Ų38.17%0.0720%0.195CC..Hα-helixtrans-57.5-38173.663.70000112.5P94 N100 E512P94-S96 WeakPolarHBondContact CB-OG 3.43Å; P94-S96 PolarHBondContact O-N 2.88Å; P94-S96 VanDerWaalsContact O-N 3.14Å; S96-N100 VanDerWaalsContact O-CB 3.24Å; S96-N100 WeakPolarHBondContact O-CB 3.46Å; S96-N100 PolarHBondContact O-N 3.28Å; S96-N100 PolarHBondContact O-ND2 3.11Å; S96-E512 PolarHBondContact OG-OE1 3.4Å; S96-E512 PolarHBondContact OG-OE2 3.09Å
97W98.1Very high97.4Very high9 Ų940.7 Ų40.73%0.03421%0.206CC..Hα-helixtrans-60.4-53.1175.8179.6-98.4000110.8V22 W23 P75 L78 L93 P94 Q95 V99 N100 Q101V22-W97 HydrophobicContact CG2-CH2 3.81Å; V22-W97 VanDerWaalsContact O-CH2 3.3Å; V22-W97 WeakPolarHBondContact O-CH2 3.4Å; W23-W97 HydrophobicContact CE3-CZ3 4.3Å; W23-W97 HydrophobicContact CZ3-CZ3 4Å; P75-W97 HydrophobicContact CB-CD2 4.34Å; P75-W97 HydrophobicContact CB-CE3 4.11Å; P75-W97 HydrophobicContact CB-CH2 3.57Å; P75-W97 HydrophobicContact CB-CZ2 3.78Å; P75-W97 HydrophobicContact CB-CZ3 3.73Å; P75-W97 HydrophobicContact CG-CD2 4.05Å; P75-W97 HydrophobicContact CG-CE3 3.89Å; P75-W97 HydrophobicContact CG-CH2 4.26Å; P75-W97 HydrophobicContact CG-CZ2 4.38Å; P75-W97 HydrophobicContact CG-CZ3 4Å; L78-W97 HydrophobicContact CD1-CZ2 3.82Å; L93-W97 HydrophobicContact CD2-CG 4.2Å; P94-W97 WeakPolarHBondContact O-CB 3.19Å; P94-W97 PolarHBondContact O-N 3.4Å; Q95-W97 VanDerWaalsContact C-N 3.25Å; Q95-W97 PolarHBondContact O-N 3.12Å; W97-V99 VanDerWaalsContact C-N 3.34Å; W97-V99 PolarHBondContact O-N 2.98Å; W97-N100 PolarHBondContact O-N 3.33Å; W97-Q101 HydrophobicContact CD2-CG 3.71Å; W97-Q101 VanDerWaalsContact CE2-CG 3.44Å; W97-Q101 HydrophobicContact CE3-CG 4.21Å; W97-Q101 HydrophobicContact CG-CG 4.11Å; W97-Q101 HydrophobicContact CH2-CG 4.15Å; W97-Q101 VanDerWaalsContact CH2-NE2 3.34Å; W97-Q101 HydrophobicContact CZ2-CG 3.69Å; W97-Q101 HydrophobicContact CZ3-CG 4.41Å; W97-Q101 WeakPolarHBondContact O-CB 3.35Å; W97-Q101 WeakPolarHBondContact O-CG 3.47Å; W97-Q101 PolarHBondContact O-N 3.44Å
98H97.9Very high97.6Very high5 Ų539.5 Ų39.52%0.02320%0.2CC..Hα-helixtrans-55.8-47.8-179.1-65.9-77.4000111.8A52 Q55 P94 Q95 L102A52-H98 WeakPolarHBondContact CA-ND1 3.27Å; A52-H98 HydrophobicContact CB-CB 3.83Å; A52-H98 PolarHBondContact N-ND1 2.97Å; Q55-H98 PolarHBondContact NE2-NE2 3.41Å; P94-H98 PolarHBondContact O-CD2 3.2Å; Q95-H98 PolarHBondContact O-N 3.15Å; H98-L102 WeakPolarHBondContact O-CB 3.16Å; H98-L102 PolarHBondContact O-N 2.57Å
99V97.6Very high97.7Very high84 Ų8435.6 Ų35.651%0.50918%0.183SC..Hα-helixtrans-64.7-48.1179.9175.70000111.7Q95 W97 L102 Y103Q95-V99 PolarHBondContact O-N 3.44Å; W97-V99 VanDerWaalsContact C-N 3.34Å; W97-V99 PolarHBondContact O-N 2.98Å; V99-L102 PolarHBondContact O-N 3.03Å; V99-Y103 PolarHBondContact O-N 3.07Å
100N97.2Very high97.8Very high69 Ų6941.8 Ų41.837%0.36921%0.212SC..Hα-helixtrans-66.8-41.3-176.4-72.3-23000112.2S96 W97 Y103 L104S96-N100 VanDerWaalsContact O-CB 3.24Å; S96-N100 WeakPolarHBondContact O-CB 3.46Å; S96-N100 PolarHBondContact O-N 3.28Å; S96-N100 PolarHBondContact O-ND2 3.11Å; W97-N100 PolarHBondContact O-N 3.33Å; N100-Y103 PolarHBondContact O-N 3.37Å; N100-L104 WeakPolarHBondContact O-CB 3.44Å; N100-L104 PolarHBondContact O-N 3.48Å
101Q98.2Very high97.8Very high16 Ų1645.2 Ų45.28%0.07522%0.223CC..Hα-helixtrans-70.6-36.9179.1-64.6-60.6-44.500111.7T48 W97 L104 Q105T48-Q101 HydrophobicContact CG2-CB 4.21Å; T48-Q101 WeakPolarHBondContact CG2-O 3.38Å; W97-Q101 HydrophobicContact CD2-CG 3.71Å; W97-Q101 VanDerWaalsContact CE2-CG 3.44Å; W97-Q101 HydrophobicContact CE3-CG 4.21Å; W97-Q101 HydrophobicContact CG-CG 4.11Å; W97-Q101 HydrophobicContact CH2-CG 4.15Å; W97-Q101 VanDerWaalsContact CH2-NE2 3.34Å; W97-Q101 HydrophobicContact CZ2-CG 3.69Å; W97-Q101 HydrophobicContact CZ3-CG 4.41Å; W97-Q101 WeakPolarHBondContact O-CB 3.35Å; W97-Q101 WeakPolarHBondContact O-CG 3.47Å; W97-Q101 PolarHBondContact O-N 3.44Å; Q101-L104 PolarHBondContact O-N 2.82Å; Q101-Q105 WeakPolarHBondContact O-CB 3.42Å; Q101-Q105 PolarHBondContact O-N 3.37Å
102L97.6Very high98Very high41 Ų4144.2 Ų44.222%0.21521%0.213CC..Hα-helixtrans-61.8-47.2174.1-177.859.9000111.1A52 L53 H98 V99 L104 Q105 F106 F182A52-L102 HydrophobicContact CB-CB 4.41Å; L53-L102 HydrophobicContact CD2-CD1 4.25Å; H98-L102 WeakPolarHBondContact O-CB 3.16Å; H98-L102 PolarHBondContact O-N 2.57Å; V99-L102 PolarHBondContact O-N 3.03Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L102-L104 PolarHBondContact O-N 2.97Å; L102-Q105 PolarHBondContact O-N 3.01Å; L102-F106 HydrophobicContact CD1-CE2 3.93Å; L102-F106 HydrophobicContact CG-CD2 4.45Å; L102-F106 HydrophobicContact CG-CE2 3.91Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 PolarHBondContact O-N 3.07Å; L102-F182 HydrophobicContact CD1-CE1 3.53Å; L102-F182 HydrophobicContact CD1-CZ 3.39Å
103Y97.9Very high98.1Very high142 Ų14245.6 Ų45.656%0.55721%0.212SC*.Hα-helixtrans-59.7-42.3175.1176.6-102.6000112.6V99 N100 F106 K107V99-Y103 PolarHBondContact O-N 3.07Å; N100-Y103 PolarHBondContact O-N 3.37Å; Y103-F106 PolarHBondContact O-N 3.38Å; Y103-K107 HydrophobicContact CE1-CD 4.19Å; Y103-K107 VanDerWaalsContact CE1-CE 3.41Å; Y103-K107 WeakPolarHBondContact OH-CE 3.32Å; Y103-K107 PolarHBondContact OH-NZ 2.79Å
104L98.6Very high98.2Very high11 Ų1148.5 Ų48.56%0.05824%0.238CC..Hα-helixtrans-63.3-41.9178.5-178.758.7000111.7W26 W29 T48 N100 Q101 L102 F106 K107 I108W26-L104 HydrophobicContact CB-CD1 4.08Å; W26-L104 HydrophobicContact CE3-CD1 4.16Å; W29-L104 HydrophobicContact CG-CD1 4.44Å; T48-L104 HydrophobicContact CG2-CB 4.18Å; T48-L104 HydrophobicContact CG2-CD2 3.93Å; T48-L104 HydrophobicContact CG2-CG 4.08Å; N100-L104 WeakPolarHBondContact O-CB 3.44Å; N100-L104 PolarHBondContact O-N 3.48Å; Q101-L104 PolarHBondContact O-N 2.82Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L102-L104 PolarHBondContact O-N 2.97Å; L104-F106 VanDerWaalsContact C-N 3.34Å; L104-F106 PolarHBondContact O-N 2.8Å; L104-K107 PolarHBondContact O-N 3.08Å; L104-I108 HydrophobicContact CD1-CD1 4.31Å; L104-I108 HydrophobicContact CD1-CG1 4.46Å; L104-I108 HydrophobicContact CG-CD1 3.83Å; L104-I108 HydrophobicContact CG-CG1 4.45Å; L104-I108 WeakPolarHBondContact O-CG1 3.31Å; L104-I108 PolarHBondContact O-N 3.13Å
105Q98.8Very high98.3Very high1 Ų151.9 Ų51.91%0.00525%0.251CS..Hα-helixtrans-61.3-39.7179.1-178.665.2-5.400112.6A46 T48 Q101 L102 K107 I108 L109 F182A46-Q105 PolarHBondContact O-NE2 3.04Å; T48-Q105 HydrophobicContact CG2-CB 4.38Å; T48-Q105 VanDerWaalsContact O-CB 3.29Å; T48-Q105 WeakPolarHBondContact O-CB 3.3Å; T48-Q105 WeakPolarHBondContact O-CG 3.5Å; T48-Q105 PolarHBondContact OG1-OE1 3.25Å; Q101-Q105 WeakPolarHBondContact O-CB 3.42Å; Q101-Q105 PolarHBondContact O-N 3.37Å; L102-Q105 PolarHBondContact O-N 3.01Å; Q105-K107 VanDerWaalsContact C-N 3.31Å; Q105-K107 PolarHBondContact O-N 3.21Å; Q105-I108 PolarHBondContact O-N 3.22Å; Q105-L109 HydrophobicContact CG-CD1 3.93Å; Q105-L109 HydrophobicContact CG-CG 4.23Å; Q105-L109 WeakPolarHBondContact O-CB 3.42Å; Q105-L109 WeakPolarHBondContact O-CG 3.5Å; Q105-L109 PolarHBondContact O-N 3.2Å; Q105-F182 HydrophobicContact CB-CE1 4.16Å; Q105-F182 HydrophobicContact CB-CZ 4.02Å; Q105-F182 HydrophobicContact CG-CD1 4.22Å; Q105-F182 HydrophobicContact CG-CD2 4.35Å; Q105-F182 HydrophobicContact CG-CE1 3.7Å; Q105-F182 HydrophobicContact CG-CE2 3.82Å; Q105-F182 HydrophobicContact CG-CZ 3.47Å; Q105-F182 VanDerWaalsContact CG-CZ 3.47Å
106F98.8Very high98.4Very high86 Ų8650.4 Ų50.438%0.37726%0.259SS..Hα-helixtrans-55.9-45.8175.1-79.6-68.7000112.2L102 Y103 L104 E110 Q181 F182L102-F106 HydrophobicContact CD1-CE2 3.93Å; L102-F106 HydrophobicContact CG-CD2 4.45Å; L102-F106 HydrophobicContact CG-CE2 3.91Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 PolarHBondContact O-N 3.07Å; Y103-F106 PolarHBondContact O-N 3.38Å; L104-F106 VanDerWaalsContact C-N 3.34Å; L104-F106 PolarHBondContact O-N 2.8Å; F106-E110 WeakPolarHBondContact O-CB 3.2Å; F106-E110 PolarHBondContact O-N 2.77Å; F106-Q181 WeakPolarHBondContact CE1-O 3.3Å; F106-F182 HydrophobicContact CD1-CD1 4.22Å; F106-F182 HydrophobicContact CD1-CE1 4.42Å; F106-F182 HydrophobicContact CD2-CE1 4.41Å; F106-F182 AromaticContact CE1-CD1 3.91Å; F106-F182 HydrophobicContact CE1-CD1 3.91Å; F106-F182 HydrophobicContact CE1-CE1 4.16Å; F106-F182 HydrophobicContact CE2-CE1 4.13Å; F106-F182 HydrophobicContact CZ-CD1 4.13Å; F106-F182 AromaticContact CZ-CE1 3.99Å; F106-F182 HydrophobicContact CZ-CE1 3.99Å
107K98.8Very high98.4Very high53 Ų5350.2 Ų50.223%0.2326%0.258CS..Hα-helixtrans-66.8-41.2178-64.1-169.6173.4-179.70112.8W26 Y103 L104 Q105 E110 R111W26-K107 HydrophobicContact CB-CD 4.1Å; W26-K107 HydrophobicContact CD2-CB 3.83Å; W26-K107 HydrophobicContact CD2-CD 3.54Å; W26-K107 HydrophobicContact CD2-CG 4.36Å; W26-K107 HydrophobicContact CE3-CB 3.38Å; W26-K107 HydrophobicContact CE3-CD 3.93Å; W26-K107 HydrophobicContact CE3-CG 4.33Å; W26-K107 HydrophobicContact CG-CD 3.59Å; W26-K107 HydrophobicContact CH2-CB 3.89Å; W26-K107 WeakPolarHBondContact CH2-O 3.23Å; W26-K107 HydrophobicContact CZ2-CB 4.29Å; W26-K107 VanDerWaalsContact CZ3-C 3.46Å; W26-K107 HydrophobicContact CZ3-CB 3.43Å; W26-K107 VanDerWaalsContact CZ3-CB 3.43Å; Y103-K107 HydrophobicContact CE1-CD 4.19Å; Y103-K107 VanDerWaalsContact CE1-CE 3.41Å; Y103-K107 WeakPolarHBondContact OH-CE 3.32Å; Y103-K107 PolarHBondContact OH-NZ 2.79Å; L104-K107 PolarHBondContact O-N 3.08Å; Q105-K107 VanDerWaalsContact C-N 3.31Å; Q105-K107 PolarHBondContact O-N 3.21Å; K107-E110 PolarHBondContact O-N 2.83Å; K107-R111 WeakPolarHBondContact O-CB 3.14Å; K107-R111 PolarHBondContact O-N 2.98Å
108I98.9Very high98.5Very high0 Ų052.2 Ų52.20%027%0.268CS..Hα-helixtrans-58.3-52177.6-70.4167000109.8W26 W29 I33 T48 L104 Q105 R111 M112W26-I108 HydrophobicContact CZ3-CG1 4.18Å; W29-I108 HydrophobicContact CB-CG1 4.21Å; W29-I108 HydrophobicContact CD2-CD1 3.46Å; W29-I108 VanDerWaalsContact CD2-CD1 3.46Å; W29-I108 HydrophobicContact CD2-CG1 3.85Å; W29-I108 VanDerWaalsContact CE2-CD1 3.49Å; W29-I108 HydrophobicContact CE3-CD1 3.92Å; W29-I108 HydrophobicContact CE3-CG1 4.04Å; W29-I108 HydrophobicContact CE3-CG2 4.44Å; W29-I108 HydrophobicContact CG-CD1 3.76Å; W29-I108 HydrophobicContact CG-CG1 3.94Å; W29-I108 HydrophobicContact CH2-CD1 4.38Å; W29-I108 HydrophobicContact CZ2-CD1 3.97Å; W29-I108 HydrophobicContact CZ3-CD1 4.35Å; W29-I108 HydrophobicContact CZ3-CG2 4.48Å; I33-I108 HydrophobicContact CD1-CB 4.48Å; I33-I108 HydrophobicContact CD1-CG2 4.23Å; T48-I108 HydrophobicContact CG2-CD1 4.24Å; T48-I108 WeakPolarHBondContact OG1-CD1 3.49Å; L104-I108 HydrophobicContact CD1-CD1 4.31Å; L104-I108 HydrophobicContact CD1-CG1 4.46Å; L104-I108 HydrophobicContact CG-CD1 3.83Å; L104-I108 HydrophobicContact CG-CG1 4.45Å; L104-I108 WeakPolarHBondContact O-CG1 3.31Å; L104-I108 PolarHBondContact O-N 3.13Å; Q105-I108 PolarHBondContact O-N 3.22Å; I108-R111 PolarHBondContact O-N 3.44Å; I108-M112 HydrophobicContact CG2-CE 3.68Å; I108-M112 HydrophobicContact CG2-CG 4.31Å; I108-M112 HydrophobicContact CG2-SD 3.7Å; I108-M112 WeakPolarHBondContact O-CB 3.4Å; I108-M112 VanDerWaalsContact O-CG 3.3Å; I108-M112 WeakPolarHBondContact O-CG 3.49Å; I108-M112 PolarHBondContact O-N 2.98Å
109L98.9Very high98.5Very high3 Ų352 Ų522%0.01627%0.267CS..Hα-helixtrans-64.3-43.6-178.1-68.6175.1000112.2A46 Q105 R111 M112 R113 P119 L121 F182A46-L109 HydrophobicContact CB-CD2 3.74Å; Q105-L109 HydrophobicContact CG-CD1 3.93Å; Q105-L109 HydrophobicContact CG-CG 4.23Å; Q105-L109 WeakPolarHBondContact O-CB 3.42Å; Q105-L109 WeakPolarHBondContact O-CG 3.5Å; Q105-L109 PolarHBondContact O-N 3.2Å; L109-R111 VanDerWaalsContact C-N 3.34Å; L109-R111 PolarHBondContact O-N 2.87Å; L109-M112 PolarHBondContact O-N 3.4Å; L109-R113 WeakPolarHBondContact O-CB 3.44Å; L109-R113 VanDerWaalsContact O-CG 3.27Å; L109-R113 WeakPolarHBondContact O-CG 3.45Å; L109-R113 PolarHBondContact O-N 3.01Å; L109-P119 HydrophobicContact CD2-CB 3.46Å; L109-P119 VanDerWaalsContact CD2-CB 3.46Å; L109-P119 HydrophobicContact CD2-CG 3.76Å; L109-L121 HydrophobicContact CD1-CD2 4.35Å; L109-L121 HydrophobicContact CD2-CD2 4.03Å; L109-F182 HydrophobicContact CD1-CB 3.54Å; L109-F182 HydrophobicContact CD1-CD1 3.8Å; L109-F182 HydrophobicContact CD1-CD2 4.31Å; L109-F182 HydrophobicContact CD1-CG 3.63Å
110E98.8Very high98.6Very high145 Ų14548 Ų4868%0.67824%0.243SC*.Hα-helixtrans-56.4-49.1176.2-177.5178.7-161.900111F106 K107 A114F106-E110 WeakPolarHBondContact O-CB 3.2Å; F106-E110 PolarHBondContact O-N 2.77Å; K107-E110 PolarHBondContact O-N 2.83Å; E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 3.49Å
111R98.8Very high98.6Very high79 Ų7944.7 Ų44.730%0.29823%0.225SC..Hα-helixtrans-69.9-41.2-178.3-174.965.9173177.2-0.4113.1W26 I33 D34 K107 I108 L109 A114 F115W26-R111 HydrophobicContact CH2-CB 3.66Å; W26-R111 HydrophobicContact CH2-CG 4.06Å; W26-R111 HydrophobicContact CZ2-CB 4.44Å; I33-R111 HydrophobicContact CB-CG 4.25Å; I33-R111 HydrophobicContact CD1-CB 4.07Å; I33-R111 HydrophobicContact CD1-CG 4.1Å; I33-R111 HydrophobicContact CG2-CG 3.76Å; D34-R111 IonicContact OD1-CZ 2.65Å; D34-R111 IonicContact OD1-NE 3.75Å; D34-R111 IonicContact OD1-NH2 3.26Å; D34-R111 PolarHBondContact OD1-NH2 3.27Å; D34-R111 IonicContact OD2-NH2 2.84Å; K107-R111 WeakPolarHBondContact O-CB 3.14Å; K107-R111 PolarHBondContact O-N 2.98Å; I108-R111 PolarHBondContact O-N 3.44Å; L109-R111 VanDerWaalsContact C-N 3.34Å; L109-R111 PolarHBondContact O-N 2.87Å; R111-A114 PolarHBondContact O-N 2.77Å; R111-F115 HydrophobicContact CG-CD2 4.39Å; R111-F115 HydrophobicContact CG-CE2 4.19Å; R111-F115 VanDerWaalsContact NE-CE2 3.26Å; R111-F115 WeakPolarHBondContact O-CD2 3.45Å; R111-F115 PolarHBondContact O-N 2.97Å
112M98.9Very high98.6Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-59.7-48.3175.3-76.3179.8169.900111.1W29 I33 M36 P44 A46 I108 L109 A114 F115 G116 M117 P119W29-M112 HydrophobicContact CZ3-CE 4.32Å; I33-M112 HydrophobicContact CD1-CG 4.12Å; I33-M112 HydrophobicContact CG1-CE 4.23Å; I33-M112 HydrophobicContact CG1-CG 4.2Å; I33-M112 HydrophobicContact CG2-CG 4.22Å; M36-M112 HydrophobicContact CE-CE 4.1Å; M36-M112 HydrophobicContact SD-CE 4.05Å; P44-M112 HydrophobicContact CB-CE 3.72Å; P44-M112 HydrophobicContact CB-SD 4.29Å; P44-M112 HydrophobicContact CG-CE 3.67Å; P44-M112 HydrophobicContact CG-CG 4.28Å; P44-M112 HydrophobicContact CG-SD 3.6Å; A46-M112 HydrophobicContact CB-SD 4.31Å; I108-M112 HydrophobicContact CG2-CE 3.68Å; I108-M112 HydrophobicContact CG2-CG 4.31Å; I108-M112 HydrophobicContact CG2-SD 3.7Å; I108-M112 WeakPolarHBondContact O-CB 3.4Å; I108-M112 VanDerWaalsContact O-CG 3.3Å; I108-M112 WeakPolarHBondContact O-CG 3.49Å; I108-M112 PolarHBondContact O-N 2.98Å; L109-M112 PolarHBondContact O-N 3.4Å; M112-A114 VanDerWaalsContact C-N 3.33Å; M112-A114 PolarHBondContact O-N 2.86Å; M112-F115 PolarHBondContact O-N 3.45Å; M112-F115 VanDerWaalsContact O-N 3.16Å; M112-G116 PolarHBondContact O-N 3.48Å; M112-M117 HydrophobicContact CB-CB 4.12Å; M112-M117 HydrophobicContact CB-SD 4.17Å; M112-M117 HydrophobicContact CG-SD 3.98Å; M112-M117 VanDerWaalsContact O-CB 3.3Å; M112-M117 WeakPolarHBondContact O-CB 3.43Å; M112-M117 WeakPolarHBondContact O-CG 3.48Å; M112-M117 PolarHBondContact O-N 2.77Å; M112-P119 HydrophobicContact CB-CG 3.86Å; M112-P119 HydrophobicContact SD-CB 4.13Å; M112-P119 HydrophobicContact SD-CG 4.09Å
113R98.8Very high98.7Very high78 Ų7842.5 Ų42.529%0.29422%0.216SC..Hα-helixtrans-66-34.6178.1-70.9170.2177.7152.9-0.4112.4L109 F115 G116 P119 F182 D185L109-R113 WeakPolarHBondContact O-CB 3.44Å; L109-R113 VanDerWaalsContact O-CG 3.27Å; L109-R113 WeakPolarHBondContact O-CG 3.45Å; L109-R113 PolarHBondContact O-N 3.01Å; R113-F115 PolarHBondContact O-N 3Å; R113-G116 PolarHBondContact O-N 2.92Å; R113-P119 HydrophobicContact CG-CG 4.17Å; R113-F182 VanDerWaalsContact CZ-O 3.25Å; R113-F182 PolarHBondContact NH1-O 3.35Å; R113-F182 PolarHBondContact NH2-O 3.44Å; R113-D185 IonicContact CZ-OD2 3.51Å; R113-D185 VanDerWaalsContact CZ-OD2 3.23Å; R113-D185 IonicContact NE-OD1 3.56Å; R113-D185 PolarHBondContact NE-OD1 3.23Å; R113-D185 IonicContact NE-OD2 3.41Å; R113-D185 PolarHBondContact NE-OD2 3.38Å; R113-D185 IonicContact NH2-OD2 2.79Å; R113-D185 PolarHBondContact NH2-OD2 3.29Å
114A98.7Very high98.7Very high78 Ų7835.9 Ų35.965%0.64519%0.19SC*.Hα-helixtrans-60.7-29.6174.300000112.9E110 R111 M112 G116E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 3.49Å; R111-A114 PolarHBondContact O-N 2.77Å; M112-A114 VanDerWaalsContact C-N 3.33Å; M112-A114 PolarHBondContact O-N 2.86Å; A114-G116 VanDerWaalsContact C-N 3.35Å
115F98.6Very high98.4Very high91 Ų9135.7 Ų35.740%0.39919%0.19SC..THydrogen-bonded Turntrans-87.20.7172.1-74.2-58.4000114.2I33 D34 A37 R111 M112 R113 M117I33-F115 HydrophobicContact CG2-CD2 3.83Å; I33-F115 HydrophobicContact CG2-CE2 4.06Å; D34-F115 WeakPolarHBondContact OD1-CE2 3.29Å; A37-F115 HydrophobicContact CB-CD1 4.13Å; A37-F115 HydrophobicContact CB-CD2 4.14Å; A37-F115 HydrophobicContact CB-CE1 4.28Å; A37-F115 HydrophobicContact CB-CE2 4.25Å; A37-F115 HydrophobicContact CB-CG 4.06Å; A37-F115 HydrophobicContact CB-CZ 4.32Å; R111-F115 HydrophobicContact CG-CD2 4.39Å; R111-F115 HydrophobicContact CG-CE2 4.19Å; R111-F115 VanDerWaalsContact NE-CE2 3.26Å; R111-F115 WeakPolarHBondContact O-CD2 3.45Å; R111-F115 PolarHBondContact O-N 2.97Å; M112-F115 PolarHBondContact O-N 3.45Å; M112-F115 VanDerWaalsContact O-N 3.16Å; R113-F115 PolarHBondContact O-N 3Å; F115-M117 VanDerWaalsContact C-N 3.3Å; F115-M117 HydrophobicContact CB-CE 4.16Å; F115-M117 HydrophobicContact CB-CG 4.26Å; F115-M117 HydrophobicContact CD2-CE 4.42Å
116G98.4Very high98.3Very high58 Ų5835.7 Ų35.760%0.59819%0.19SC*.THydrogen-bonded Turntrans74.219.4-176.400000114M112 R113 A114M112-G116 PolarHBondContact O-N 3.48Å; R113-G116 PolarHBondContact O-N 2.92Å; A114-G116 VanDerWaalsContact C-N 3.35Å
117M98.8Very high98.2Very high6 Ų632 Ų323%0.0317%0.174CC..  trans-71.2157.7169.1-55.2179.3-178.400110I33 M36 A37 P44 M112 F115 P119I33-M117 HydrophobicContact CG2-CE 4.11Å; I33-M117 HydrophobicContact CG2-SD 4.28Å; M36-M117 HydrophobicContact CB-CE 3.67Å; M36-M117 HydrophobicContact CB-SD 4.42Å; A37-M117 HydrophobicContact CB-CE 3.79Å; P44-M117 HydrophobicContact CG-CB 4.19Å; P44-M117 HydrophobicContact CG-SD 4.01Å; M112-M117 HydrophobicContact CB-CB 4.12Å; M112-M117 HydrophobicContact CB-SD 4.17Å; M112-M117 HydrophobicContact CG-SD 3.98Å; M112-M117 VanDerWaalsContact O-CB 3.3Å; M112-M117 WeakPolarHBondContact O-CB 3.43Å; M112-M117 WeakPolarHBondContact O-CG 3.48Å; M112-M117 PolarHBondContact O-N 2.77Å; F115-M117 VanDerWaalsContact C-N 3.3Å; F115-M117 HydrophobicContact CB-CE 4.16Å; F115-M117 HydrophobicContact CB-CG 4.26Å; F115-M117 HydrophobicContact CD2-CE 4.42Å; M117-P119 WeakPolarHBondContact O-CD 3.38Å
118I98.8Very high98.1Very high50 Ų5029.6 Ų29.626%0.25616%0.164SC..  trans-109.693.2174.5-59.5170.9000106.7F8 N42 L43 V120 D185 I187F8-I118 HydrophobicContact CE1-CD1 4.19Å; N42-I118 PolarHBondContact O-N 3.21Å; L43-I118 HydrophobicContact CD1-CB 3.98Å; L43-I118 HydrophobicContact CD1-CG2 3.9Å; I118-V120 PolarHBondContact O-N 3.47Å; I118-D185 HydrophobicContact CG2-CB 3.79Å; I118-I187 HydrophobicContact CG2-CB 4.49Å; I118-I187 HydrophobicContact CG2-CD1 3.93Å; I118-I187 HydrophobicContact CG2-CG1 4.08Å
119P98.8Very high98.1Very high0 Ų029.8 Ų29.80%017%0.165CC..PPolyproline II helixtrans-63.4129.9176.7-18.831.1000110.9A46 L109 M112 R113 M117 D185A46-P119 HydrophobicContact CB-CB 3.82Å; L109-P119 HydrophobicContact CD2-CB 3.46Å; L109-P119 VanDerWaalsContact CD2-CB 3.46Å; L109-P119 HydrophobicContact CD2-CG 3.76Å; M112-P119 HydrophobicContact CB-CG 3.86Å; M112-P119 HydrophobicContact SD-CB 4.13Å; M112-P119 HydrophobicContact SD-CG 4.09Å; R113-P119 HydrophobicContact CG-CG 4.17Å; M117-P119 WeakPolarHBondContact O-CD 3.38Å; P119-D185 WeakPolarHBondContact CD-OD2 3.18Å
120V98.9Very high97.9Very high0 Ų035.3 Ų35.30%019%0.189CC..BIsolated β-bridgetrans-85.6118.7173.7-176.90000109L43 P44 L45 A46 I118 I187 N189 L227L43-V120 HydrophobicContact CD1-CG2 3.76Å; L43-V120 HydrophobicContact CG-CG2 3.88Å; P44-V120 PolarHBondContact O-N 2.89Å; L45-V120 HydrophobicContact CD2-CB 3.8Å; L45-V120 HydrophobicContact CD2-CG1 3.9Å; L45-V120 HydrophobicContact CD2-CG2 4.34Å; A46-V120 PolarHBondContact N-O 2.99Å; I118-V120 PolarHBondContact O-N 3.47Å; V120-I187 HydrophobicContact CG1-CG2 4.2Å; V120-I187 HydrophobicContact CG2-CG2 4.08Å; V120-N189 HydrophobicContact CG1-CB 3.58Å; V120-L227 HydrophobicContact CB-CD2 4.41Å; V120-L227 HydrophobicContact CG1-CB 4.35Å; V120-L227 HydrophobicContact CG1-CD2 3.93Å; V120-L227 HydrophobicContact CG2-CD2 3.79Å
121L98.8Very high97.8Very high0 Ų028.7 Ų28.70%016%0.159CC..EExtended strand (participates in β ladder)trans-94.4154.7-178.6-68.4176.6000111.7L109 V178 F182 G183 I187 Y188 N189L109-L121 HydrophobicContact CD1-CD2 4.35Å; L109-L121 HydrophobicContact CD2-CD2 4.03Å; L121-V178 HydrophobicContact CB-CG1 4.11Å; L121-V178 HydrophobicContact CD1-CG1 3.95Å; L121-V178 HydrophobicContact CG-CG1 4.48Å; L121-F182 HydrophobicContact CD1-CB 4.43Å; L121-F182 HydrophobicContact CD2-CD2 4.43Å; L121-G183 WeakPolarHBondContact CD1-O 3.37Å; L121-I187 PolarHBondContact N-O 3.33Å; L121-I187 VanDerWaalsContact N-O 3.14Å; L121-Y188 HydrophobicContact CB-CD1 3.99Å; L121-Y188 HydrophobicContact CB-CE1 4.33Å; L121-Y188 CarbonylContact O-C 3.6Å; L121-Y188 WeakPolarHBondContact O-CA 3.27Å; L121-N189 PolarHBondContact O-N 3.46Å
122P98.3Very high97.8Very high3 Ų324.9 Ų24.92%0.01915%0.145CC..EExtended strand (participates in β ladder)trans-73.8154.4179.130.8-36.3000112.3F47 Q50 Y174 N189F47-P122 HydrophobicContact CD1-CB 4.21Å; F47-P122 HydrophobicContact CE1-CB 3.93Å; F47-P122 HydrophobicContact CZ-CB 4.35Å; Q50-P122 HydrophobicContact CB-CG 3.87Å; P122-Y174 HydrophobicContact CB-CE1 4.49Å; P122-Y174 VanDerWaalsContact CG-OH 3.23Å; P122-Y174 WeakPolarHBondContact CG-OH 3.46Å; P122-N189 CarbonylContact C-O 3.55Å; P122-N189 WeakPolarHBondContact CA-O 3.4Å
123A98.2Very high97.7Very high9 Ų927.8 Ų27.87%0.07416%0.16CC..  trans-132.4178170.700000111.5N189 T190 M217A123-N189 PolarHBondContact N-O 3.43Å; A123-T190 HydrophobicContact CB-CG2 4.01Å; A123-T190 PolarHBondContact O-OG1 3.23Å; A123-M217 HydrophobicContact CB-CE 3.45Å; A123-M217 VanDerWaalsContact CB-CE 3.45Å; A123-M217 HydrophobicContact CB-CG 4.27Å
124F98.1Very high97.6Very high2 Ų230.3 Ų30.31%0.00917%0.169CC..  trans-83.7129.8-179.4178.4-124.5000112.2W54 N127 V128 F167 I170W54-F124 HydrophobicContact CH2-CB 3.97Å; W54-F124 AromaticContact CH2-CD2 3.33Å; W54-F124 HydrophobicContact CH2-CD2 3.33Å; W54-F124 HydrophobicContact CH2-CE2 4.09Å; W54-F124 AromaticContact CH2-CG 3.97Å; W54-F124 HydrophobicContact CH2-CG 3.97Å; W54-F124 HydrophobicContact CZ2-CB 4.26Å; W54-F124 AromaticContact CZ2-CD2 3.85Å; W54-F124 HydrophobicContact CZ2-CD2 3.85Å; W54-F124 HydrophobicContact CZ3-CD2 4.29Å; F124-N127 WeakPolarHBondContact CE2-O 3.45Å; F124-V128 HydrophobicContact CE2-CG1 4.05Å; F124-V128 HydrophobicContact CZ-CG1 3.82Å; F124-F167 HydrophobicContact CD1-CD1 4.2Å; F124-F167 AromaticContact CD1-CE1 3.93Å; F124-F167 HydrophobicContact CD1-CE1 3.93Å; F124-F167 HydrophobicContact CD1-CZ 4.21Å; F124-F167 HydrophobicContact CE1-CD1 4.04Å; F124-F167 HydrophobicContact CE1-CD2 4.16Å; F124-F167 HydrophobicContact CE1-CE1 4.04Å; F124-F167 HydrophobicContact CE1-CE2 4.21Å; F124-F167 HydrophobicContact CE1-CG 4.08Å; F124-F167 HydrophobicContact CE1-CZ 4.13Å; F124-I170 HydrophobicContact CD1-CG2 4.48Å; F124-I170 HydrophobicContact CD2-CG2 4.2Å; F124-I170 HydrophobicContact CE1-CB 4.22Å; F124-I170 HydrophobicContact CE1-CG2 4.15Å; F124-I170 HydrophobicContact CE2-CG2 3.81Å; F124-I170 HydrophobicContact CG-CG2 4.49Å; F124-I170 HydrophobicContact CZ-CB 4.19Å; F124-I170 HydrophobicContact CZ-CG2 3.78Å
125S93.6Very high97.6Very high8 Ų828.8 Ų28.86%0.05615%0.15CC..  trans-94.1-12.2-179.9570000114.5N127 T190 T192S125-N127 PolarHBondContact OG-N 3.06Å; S125-T190 VanDerWaalsContact CA-OG1 3.25Å; S125-T190 WeakPolarHBondContact CA-OG1 3.38Å; S125-T190 WeakPolarHBondContact CB-OG1 3.27Å; S125-T190 PolarHBondContact N-OG1 3.48Å; S125-T192 WeakPolarHBondContact O-CG2 3.42Å; S125-T192 PolarHBondContact O-OG1 2.82Å
126G96.1Very high97.5Very high0 Ų027.7 Ų27.70%014%0.144CC..SBendtrans100.6-10.8-167.800000114.7L160G126-L160 WeakPolarHBondContact O-CB 3.42Å; G126-L160 PolarHBondContact O-N 3.37Å
127N96.6Very high97.5Very high10 Ų1030.1 Ų30.15%0.05315%0.149CC..EExtended strand (participates in β ladder)trans-73126.9176-179.138.8000111.9A84 F124 S125 S157 Y158 I159A84-N127 HydrophobicContact CB-CB 3.44Å; A84-N127 VanDerWaalsContact CB-CB 3.44Å; A84-N127 VanDerWaalsContact CB-ND2 3.31Å; A84-N127 WeakPolarHBondContact CB-ND2 3.44Å; F124-N127 WeakPolarHBondContact CE2-O 3.45Å; S125-N127 PolarHBondContact OG-N 3.06Å; N127-S157 WeakPolarHBondContact OD1-CB 3.41Å; N127-Y158 PolarHBondContact OD1-O 2.99Å; N127-I159 HydrophobicContact CB-CD1 3.91Å
128V97.6Very high97.4Very high2 Ų239.4 Ų39.41%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-128.8149.6-176.5-67.80000112.2F124 I132 V141 Y158 L160 I170F124-V128 HydrophobicContact CE2-CG1 4.05Å; F124-V128 HydrophobicContact CZ-CG1 3.82Å; V128-I132 HydrophobicContact CB-CB 4.3Å; V128-I132 HydrophobicContact CB-CG1 4.01Å; V128-I132 HydrophobicContact CG1-CG1 4.47Å; V128-I132 HydrophobicContact CG2-CB 4.41Å; V128-I132 HydrophobicContact CG2-CG2 4.41Å; V128-V141 HydrophobicContact CG2-CG1 4.39Å; V128-Y158 WeakPolarHBondContact CG2-O 3.48Å; V128-Y158 PolarHBondContact N-O 3.22Å; V128-Y158 WeakPolarHBondContact O-CB 3.29Å; V128-L160 HydrophobicContact CG1-CB 4.29Å; V128-L160 HydrophobicContact CG1-CD2 4.39Å; V128-L160 HydrophobicContact CG2-CB 4.42Å; V128-I170 HydrophobicContact CG1-CD1 4.04Å
129P97.2Very high97.3Very high3 Ų337.8 Ų37.82%0.01918%0.183CC..  trans-66.7148.9171.823.8-30.8000111.4Y58 L63 F71 G131 I132Y58-P129 HydrophobicContact CD1-CG 3.95Å; Y58-P129 HydrophobicContact CD2-CG 4.29Å; Y58-P129 HydrophobicContact CE1-CG 3.8Å; Y58-P129 HydrophobicContact CE2-CG 4.14Å; Y58-P129 HydrophobicContact CG-CG 4.22Å; Y58-P129 WeakPolarHBondContact OH-CD 3.34Å; L63-P129 HydrophobicContact CD2-CB 3.73Å; L63-P129 HydrophobicContact CD2-CG 3.34Å; F71-P129 HydrophobicContact CB-CB 3.9Å; F71-P129 HydrophobicContact CD2-CB 3.61Å; F71-P129 HydrophobicContact CD2-CG 4.38Å; F71-P129 HydrophobicContact CE2-CB 4.25Å; F71-P129 HydrophobicContact CG-CB 3.77Å; F71-P129 HydrophobicContact CG-CG 4.45Å; P129-G131 PolarHBondContact O-N 3.25Å; P129-I132 HydrophobicContact CG-CG1 4.02Å; P129-I132 WeakPolarHBondContact O-CB 3.45Å; P129-I132 PolarHBondContact O-N 3.42Å
130K95.8Very high97.2Very high120 Ų12041.6 Ų41.652%0.52220%0.204SC..THydrogen-bonded Turntrans-52.7-31.9177.1-176-178.4172.9-168.60113.2I132 L133 Y158K130-I132 PolarHBondContact O-N 3.36Å; K130-I132 VanDerWaalsContact O-N 3.15Å; K130-L133 WeakPolarHBondContact O-CB 3.36Å; K130-L133 PolarHBondContact O-N 3.03Å; K130-Y158 HydrophobicContact CB-CD2 4.11Å; K130-Y158 HydrophobicContact CB-CE2 3.74Å; K130-Y158 HydrophobicContact CD-CE2 4.22Å; K130-Y158 HydrophobicContact CG-CE2 3.92Å
131G97Very high97.2Very high5 Ų543 Ų435%0.05221%0.212CC..THydrogen-bonded Turntrans-57-23.5175.900000114.4E67 P129 L133 R134 L135E67-G131 WeakPolarHBondContact OE1-CA 3.1Å; P129-G131 PolarHBondContact O-N 3.25Å; G131-L133 PolarHBondContact O-N 3.25Å; G131-R134 WeakPolarHBondContact O-CB 3.32Å; G131-R134 PolarHBondContact O-N 3.46Å; G131-L135 PolarHBondContact O-N 3.33Å
132I97.8Very high97Very high0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-60.8-32.9173.7-70.9-64.6000111.8L61 L63 V128 P129 K130 R134 L135 Y136 L166 I170L61-I132 HydrophobicContact CD1-CD1 4.18Å; L63-I132 HydrophobicContact CD1-CD1 3.85Å; L63-I132 HydrophobicContact CD1-CG1 4.42Å; V128-I132 HydrophobicContact CB-CB 4.3Å; V128-I132 HydrophobicContact CB-CG1 4.01Å; V128-I132 HydrophobicContact CG1-CG1 4.47Å; V128-I132 HydrophobicContact CG2-CB 4.41Å; V128-I132 HydrophobicContact CG2-CG2 4.41Å; P129-I132 HydrophobicContact CG-CG1 4.02Å; P129-I132 WeakPolarHBondContact O-CB 3.45Å; P129-I132 PolarHBondContact O-N 3.42Å; K130-I132 PolarHBondContact O-N 3.36Å; K130-I132 VanDerWaalsContact O-N 3.15Å; I132-R134 PolarHBondContact O-N 2.66Å; I132-L135 PolarHBondContact O-N 2.89Å; I132-Y136 HydrophobicContact CD1-CD2 4.29Å; I132-Y136 HydrophobicContact CD1-CE2 4.32Å; I132-Y136 HydrophobicContact CG2-CD2 4.16Å; I132-Y136 WeakPolarHBondContact O-CA 3.33Å; I132-Y136 PolarHBondContact O-N 3.42Å; I132-L166 HydrophobicContact CG2-CD2 3.77Å; I132-I170 HydrophobicContact CD1-CD1 4.11Å
133L97Very high96.9Very high61 Ų6150.8 Ų50.832%0.31925%0.246SC..Hα-helixtrans-67.6-25.2176.9-59.1178.8000112.9K130 G131 P137 V141 Y158K130-L133 WeakPolarHBondContact O-CB 3.36Å; K130-L133 PolarHBondContact O-N 3.03Å; G131-L133 PolarHBondContact O-N 3.25Å; L133-P137 VanDerWaalsContact O-CA 3.32Å; L133-P137 WeakPolarHBondContact O-CA 3.32Å; L133-V141 HydrophobicContact CD2-CB 3.74Å; L133-V141 HydrophobicContact CD2-CG1 4.13Å; L133-V141 HydrophobicContact CD2-CG2 3.7Å; L133-Y158 HydrophobicContact CD1-CD1 3.83Å; L133-Y158 HydrophobicContact CD1-CE1 3.64Å
134R97.4Very high96.8Very high130 Ų13051.1 Ų51.149%0.49125%0.246SC..Hα-helixtrans-75.4-42.6174.2177.8-176.860.174.9-0.6110.9G62 E67 G131 I132G62-R134 PolarHBondContact O-NH2 2.93Å; E67-R134 IonicContact OE1-CZ 3.45Å; E67-R134 IonicContact OE1-NE 2.83Å; E67-R134 PolarHBondContact OE1-NE 2.79Å; E67-R134 IonicContact OE1-NH2 2.8Å; E67-R134 PolarHBondContact OE1-NH2 3.41Å; E67-R134 IonicContact OE2-CZ 2.81Å; E67-R134 IonicContact OE2-NE 3.71Å; E67-R134 IonicContact OE2-NH2 3.65Å; E67-R134 PolarHBondContact OE2-NH2 3.24Å; G131-R134 WeakPolarHBondContact O-CB 3.32Å; G131-R134 PolarHBondContact O-N 3.46Å; I132-R134 PolarHBondContact O-N 2.66Å
135L97.7Very high96.6Very high47 Ų4753.4 Ų53.425%0.24627%0.271CS..Hα-helixtrans-76.6-36.6-177.6-65.4168.2000112.2L61 L63 G131 I132 P137L61-L135 WeakPolarHBondContact O-CD1 3.45Å; L63-L135 HydrophobicContact CD1-CD1 3.41Å; L63-L135 VanDerWaalsContact CD1-CD1 3.41Å; L63-L135 HydrophobicContact CG-CD1 4.18Å; G131-L135 PolarHBondContact O-N 3.33Å; I132-L135 PolarHBondContact O-N 2.89Å; L135-P137 WeakPolarHBondContact O-CD 3.5Å
136Y97.7Very high96.7Very high68 Ų6856.9 Ų56.927%0.26729%0.293SS..  trans-126.871.9-176.8-58-84.5000110.2I132 K138 A139 L166I132-Y136 HydrophobicContact CD1-CD2 4.29Å; I132-Y136 HydrophobicContact CD1-CE2 4.32Å; I132-Y136 HydrophobicContact CG2-CD2 4.16Å; I132-Y136 WeakPolarHBondContact O-CA 3.33Å; I132-Y136 PolarHBondContact O-N 3.42Å; Y136-K138 PolarHBondContact O-N 2.98Å; Y136-A139 VanDerWaalsContact O-CB 3.26Å; Y136-A139 WeakPolarHBondContact O-CB 3.48Å; Y136-A139 PolarHBondContact O-N 3.3Å; Y136-L166 HydrophobicContact CD1-CD1 4.09Å; Y136-L166 HydrophobicContact CD1-CD2 4.29Å; Y136-L166 HydrophobicContact CD2-CD1 4.19Å; Y136-L166 HydrophobicContact CD2-CD2 3.85Å; Y136-L166 HydrophobicContact CE1-CD1 3.95Å; Y136-L166 HydrophobicContact CE2-CD1 4.05Å; Y136-L166 HydrophobicContact CE2-CD2 4.48Å; Y136-L166 HydrophobicContact CG-CD1 4.21Å; Y136-L166 HydrophobicContact CG-CD2 3.73Å
137P96.8Very high96.8Very high108 Ų10857.8 Ų57.870%0.70130%0.297SS*.THydrogen-bonded Turntrans-66.8-9.5-173.827.3-36.6000114.6L133 L135L133-P137 VanDerWaalsContact O-CA 3.32Å; L133-P137 WeakPolarHBondContact O-CA 3.32Å; L135-P137 WeakPolarHBondContact O-CD 3.5Å
138K96.9Very high96.6Very high202 Ų20259.7 Ų59.788%0.87831%0.314SS*.THydrogen-bonded Turntrans-99.3-4175.3-63.9-176.6180179.30113.3Y136 N140Y136-K138 PolarHBondContact O-N 2.98Å; K138-N140 PolarHBondContact O-N 3.22Å
139A97.4Very high96.5Very high16 Ų1667 Ų6713%0.13235%0.348CS..  trans-63.3133.3179.400000110Y136 V141 L160 D164 L166Y136-A139 VanDerWaalsContact O-CB 3.26Å; Y136-A139 WeakPolarHBondContact O-CB 3.48Å; Y136-A139 PolarHBondContact O-N 3.3Å; A139-V141 HydrophobicContact CB-CG2 4.05Å; A139-V141 PolarHBondContact O-N 2.82Å; A139-L160 HydrophobicContact CB-CD1 4.12Å; A139-D164 WeakPolarHBondContact CA-OD2 3.34Å; A139-L166 HydrophobicContact CB-CD2 3.9Å
140N97.2Very high96.5Very high80 Ų8067.1 Ų67.143%0.42835%0.348SS..  trans-80.4100.2175.4-176.815.8000109.4K138 D161 D164K138-N140 PolarHBondContact O-N 3.22Å; N140-D161 HydrophobicContact CB-CB 3.97Å; N140-D161 VanDerWaalsContact ND2-CB 3.32Å; N140-D161 WeakPolarHBondContact ND2-CB 3.38Å; N140-D161 VanDerWaalsContact ND2-CG 3.32Å; N140-D161 PolarHBondContact ND2-OD2 3.29Å; N140-D161 VanDerWaalsContact O-CB 3.3Å; N140-D161 WeakPolarHBondContact O-CB 3.4Å; N140-D161 PolarHBondContact O-N 3.2Å; N140-D164 PolarHBondContact N-OD2 3.16Å
141V97.2Very high96.5Very high29 Ų2965.3 Ų65.318%0.17634%0.344CS..EExtended strand (participates in β ladder)trans-125.2130.9-176.3177.10000109.2V128 L133 A139 Y158 I159 L160V128-V141 HydrophobicContact CG2-CG1 4.39Å; L133-V141 HydrophobicContact CD2-CB 3.74Å; L133-V141 HydrophobicContact CD2-CG1 4.13Å; L133-V141 HydrophobicContact CD2-CG2 3.7Å; A139-V141 HydrophobicContact CB-CG2 4.05Å; A139-V141 PolarHBondContact O-N 2.82Å; V141-Y158 HydrophobicContact CG1-CD1 3.94Å; V141-Y158 HydrophobicContact CG1-CG 4.33Å; V141-I159 WeakPolarHBondContact CA-O 2.91Å; V141-L160 HydrophobicContact CG2-CD1 3.64Å
142T96.5Very high96.4Very high44 Ų4467.7 Ų67.727%0.2736%0.359SS..EExtended strand (participates in β ladder)trans-98.7129.5173-57.30000109.4L144 I159 P199T142-L144 HydrophobicContact CG2-CD2 4.4Å; T142-I159 PolarHBondContact N-O 3.03Å; T142-I159 PolarHBondContact O-N 3.47Å; T142-P199 HydrophobicContact CG2-CB 3.95Å; T142-P199 HydrophobicContact CG2-CG 4.43Å
143R96.3Very high96.3Very high123 Ų12371 Ų7146%0.46438%0.382SS..EExtended strand (participates in β ladder)trans-85120.5166.3-165.6-174.6-171-179.26.9109.4C152 C156 Y158R143-C152 VanDerWaalsContact NH2-CB 3.31Å; R143-C152 PolarHBondContact NH2-O 3Å; R143-C156 HydrophobicContact CG-CB 4.25Å; R143-C156 WeakPolarHBondContact CG-O 3.36Å; R143-C156 PolarHBondContact NE-O 3.25Å; R143-Y158 HydrophobicContact CB-CD1 4.16Å; R143-Y158 HydrophobicContact CB-CE1 4.06Å; R143-Y158 HydrophobicContact CG-CD1 4.22Å; R143-Y158 HydrophobicContact CG-CE1 3.95Å
144L95.3Very high96.3Very high15 Ų1570.2 Ų70.28%0.07938%0.377CS..PPolyproline II helixtrans-75.2168.2179-64.5-174.4000112.3T142 C156 S157 I159 M196T142-L144 HydrophobicContact CG2-CD2 4.4Å; L144-C156 WeakPolarHBondContact O-CA 3.45Å; L144-C156 VanDerWaalsContact O-CB 3.22Å; L144-C156 WeakPolarHBondContact O-CB 3.24Å; L144-S157 PolarHBondContact N-O 2.92Å; L144-I159 HydrophobicContact CD1-CD1 4.19Å; L144-I159 HydrophobicContact CD1-CG1 3.47Å; L144-I159 VanDerWaalsContact CD1-CG1 3.47Å; L144-I159 HydrophobicContact CD2-CG1 4.32Å; L144-I159 HydrophobicContact CG-CG1 3.69Å; L144-M196 HydrophobicContact CD1-CB 4.11Å; L144-M196 HydrophobicContact CD1-CE 4.08Å; L144-M196 HydrophobicContact CD1-CG 4.43Å; L144-M196 HydrophobicContact CD1-SD 3.58Å; L144-M196 VanDerWaalsContact CD1-SD 3.58Å
145G94.6Very high96.2Very high51 Ų5164.2 Ų64.253%0.52635%0.354SS..PPolyproline II helixtrans-69.3167.2170.800000112.6
146P95.4Very high96.1Very high81 Ų8162 Ų6253%0.52634%0.342SS..PPolyproline II helixtrans-61.9139.7174.425.9-32.9000110.6F150 C156P146-F150 WeakPolarHBondContact CB-O 3.47Å; P146-C156 WeakPolarHBondContact CA-SG 3.29Å; P146-C156 VanDerWaalsContact N-SG 3.36Å
147W96.9Very high96Very high18 Ų1858.9 Ų58.97%0.06833%0.331CS..PPolyproline II helixtrans-93.5137.3170174.585.3000110.4W80 N85 H149 F150 S155 E195 W527 I533W80-W147 AromaticContact CD1-CH2 3.77Å; W80-W147 AromaticContact CD1-CZ2 3.93Å; W80-W147 HydrophobicContact CG-CH2 4.31Å; N85-W147 HydrophobicContact CB-CB 4.26Å; N85-W147 HydrophobicContact CB-CD2 3.61Å; N85-W147 HydrophobicContact CB-CE3 3.91Å; N85-W147 HydrophobicContact CB-CG 3.76Å; N85-W147 HydrophobicContact CB-CZ3 4.47Å; N85-W147 PolarHBondContact ND2-NE1 3.25Å; N85-W147 WeakPolarHBondContact O-CB 3.14Å; W147-H149 PolarHBondContact O-N 3.31Å; W147-F150 HydrophobicContact CE3-CD2 4.16Å; W147-F150 HydrophobicContact CZ3-CD2 4.14Å; W147-F150 HydrophobicContact CZ3-CE2 4.15Å; W147-F150 PolarHBondContact O-N 3.49Å; W147-S155 PolarHBondContact N-OG 3.37Å; W147-E195 WeakPolarHBondContact CZ2-OE2 3.49Å; W147-E195 PolarHBondContact NE1-OE2 3.14Å; W147-W527 AromaticContact CH2-CH2 3.17Å; W147-W527 HydrophobicContact CH2-CH2 3.17Å; W147-W527 AromaticContact CH2-CZ2 3.86Å; W147-W527 HydrophobicContact CH2-CZ2 3.86Å; W147-W527 AromaticContact CH2-CZ3 3.71Å; W147-W527 HydrophobicContact CH2-CZ3 3.71Å; W147-W527 HydrophobicContact CZ2-CH2 4.47Å; W147-W527 AromaticContact CZ3-CH2 3.26Å; W147-W527 HydrophobicContact CZ3-CH2 3.26Å; W147-W527 HydrophobicContact CZ3-CZ2 4.35Å; W147-W527 AromaticContact CZ3-CZ3 3.4Å; W147-W527 HydrophobicContact CZ3-CZ3 3.4Å; W147-I533 HydrophobicContact CH2-CD1 3.26Å; W147-I533 HydrophobicContact CZ2-CD1 4.13Å; W147-I533 HydrophobicContact CZ3-CD1 3.59Å
148A92.7Very high96Very high51 Ų5155.2 Ų55.242%0.42130%0.303SS..THydrogen-bonded Turntrans51.1-126.5-17400000112.3I533A148-I533 HydrophobicContact CB-CD1 3.94Å; A148-I533 HydrophobicContact CB-CG1 4.25Å
149H95.2Very high96Very high155 Ų15545.8 Ų45.872%0.71826%0.262SS*.THydrogen-bonded Turntrans-104.99.3179.9-57.2-39.3000113W147 E532W147-H149 PolarHBondContact O-N 3.31Å; H149-E532 HydrophobicContact CB-CB 4.14Å; H149-E532 HydrophobicContact CB-CG 4.31Å; H149-E532 PolarHBondContact CD2-O 3.2Å
150F97.1Very high95.9Very high6 Ų645 Ų453%0.02626%0.256CS..  trans-73.5142.3175.9-74.8-94.9000111.1M86 F89 P146 W147 F154 W527 E532 I533M86-F150 HydrophobicContact CE-CE1 4.26Å; M86-F150 HydrophobicContact CE-CZ 4.36Å; F89-F150 HydrophobicContact CD1-CE1 4.48Å; F89-F150 HydrophobicContact CG-CE1 4.45Å; P146-F150 WeakPolarHBondContact CB-O 3.47Å; W147-F150 HydrophobicContact CE3-CD2 4.16Å; W147-F150 HydrophobicContact CZ3-CD2 4.14Å; W147-F150 HydrophobicContact CZ3-CE2 4.15Å; W147-F150 PolarHBondContact O-N 3.49Å; F150-F154 HydrophobicContact CD1-CB 3.75Å; F150-F154 HydrophobicContact CD1-CD2 4.36Å; F150-F154 HydrophobicContact CD1-CG 4.43Å; F150-F154 HydrophobicContact CE1-CB 4.43Å; F150-W527 HydrophobicContact CD2-CZ3 4.32Å; F150-W527 AromaticContact CE2-CE3 3.5Å; F150-W527 HydrophobicContact CE2-CE3 3.5Å; F150-W527 AromaticContact CE2-CZ3 3.26Å; F150-W527 HydrophobicContact CE2-CZ3 3.26Å; F150-W527 AromaticContact CZ-CE3 3.63Å; F150-W527 HydrophobicContact CZ-CE3 3.63Å; F150-W527 AromaticContact CZ-CZ3 3.55Å; F150-W527 HydrophobicContact CZ-CZ3 3.55Å; F150-E532 HydrophobicContact CD1-CG 4.1Å; F150-E532 HydrophobicContact CD2-CB 3.77Å; F150-E532 HydrophobicContact CD2-CG 4.02Å; F150-E532 HydrophobicContact CE1-CB 4.31Å; F150-E532 HydrophobicContact CE1-CG 4.13Å; F150-E532 HydrophobicContact CE2-CB 3.38Å; F150-E532 HydrophobicContact CE2-CG 3.97Å; F150-E532 HydrophobicContact CG-CB 4.33Å; F150-E532 HydrophobicContact CG-CG 4.07Å; F150-E532 HydrophobicContact CZ-CB 3.73Å; F150-E532 HydrophobicContact CZ-CG 4.07Å; F150-I533 HydrophobicContact CE2-CD1 4.43Å; F150-I533 HydrophobicContact CE2-CG1 4.23Å
151N95.9Very high95.9Very high82 Ų8241.7 Ų41.744%0.43924%0.238SC..  trans-83.5169.2167.769.755.6000110.7S153 F154 S155N151-S153 PolarHBondContact O-N 3.44Å; N151-S153 WeakPolarHBondContact OD1-CA 3.4Å; N151-S153 WeakPolarHBondContact OD1-CB 3.5Å; N151-S153 PolarHBondContact OD1-N 3.04Å; N151-S153 PolarHBondContact OD1-OG 2.92Å; N151-F154 PolarHBondContact O-N 3.2Å; N151-F154 VanDerWaalsContact O-N 3.12Å; N151-S155 PolarHBondContact O-N 3.42Å
152C96.2Very high95.8Very high54 Ų5440.6 Ų40.637%0.36523%0.232SC..THydrogen-bonded Turntrans-70.510.4-177.3-600000115.9R143 C156R143-C152 VanDerWaalsContact NH2-CB 3.31Å; R143-C152 PolarHBondContact NH2-O 3Å; C152-C156 WeakPolarHBondContact CA-SG 3.35Å; C152-C156 HydrophobicContact CB-CB 3.51Å; C152-C156 WeakPolarHBondContact CB-SG 3.22Å; C152-C156 WeakPolarHBondContact SG-CB 3.46Å; C152-C156 CovalentContact SG-SG 2.03Å; C152-C156 PolarHBondContact SG-SG 2.97Å
153S94.8Very high95.6Very high70 Ų7046.2 Ų46.249%0.4925%0.248SC..THydrogen-bonded Turntrans-85.2-15168.4-430000112.5N151N151-S153 PolarHBondContact O-N 3.44Å; N151-S153 WeakPolarHBondContact OD1-CA 3.4Å; N151-S153 WeakPolarHBondContact OD1-CB 3.5Å; N151-S153 PolarHBondContact OD1-N 3.04Å; N151-S153 PolarHBondContact OD1-OG 2.92Å
154F96.6Very high95.7Very high45 Ų4541.7 Ų41.720%0.19723%0.233CC..SBendtrans-136.812.5-177-55.9-60.8000112M86 D87 K88 F89 F150 N151 P529M86-F154 CarbonylContact C-O 3.58Å; M86-F154 WeakPolarHBondContact CA-O 3.22Å; M86-F154 WeakPolarHBondContact CB-O 3.44Å; D87-F154 PolarHBondContact N-O 2.88Å; D87-F154 CarbonylContact O-C 2.89Å; D87-F154 WeakPolarHBondContact O-CA 3.44Å; D87-F154 WeakPolarHBondContact OD1-CA 3.2Å; K88-F154 HydrophobicContact CB-CD1 4.2Å; K88-F154 HydrophobicContact CD-CD1 4.45Å; K88-F154 HydrophobicContact CD-CE1 4.38Å; K88-F154 HydrophobicContact CG-CD1 4.35Å; K88-F154 HydrophobicContact CG-CE1 4.39Å; F89-F154 HydrophobicContact CB-CB 4.28Å; F89-F154 HydrophobicContact CB-CD1 3.79Å; F89-F154 HydrophobicContact CB-CE1 4.37Å; F89-F154 HydrophobicContact CB-CG 4.13Å; F89-F154 HydrophobicContact CD2-CE1 4.47Å; F150-F154 HydrophobicContact CD1-CB 3.75Å; F150-F154 HydrophobicContact CD1-CD2 4.36Å; F150-F154 HydrophobicContact CD1-CG 4.43Å; F150-F154 HydrophobicContact CE1-CB 4.43Å; N151-F154 PolarHBondContact O-N 3.2Å; N151-F154 VanDerWaalsContact O-N 3.12Å; F154-P529 HydrophobicContact CD2-CG 4.17Å; F154-P529 HydrophobicContact CE2-CG 3.78Å; F154-P529 HydrophobicContact CZ-CG 4.49Å
155S96.4Very high95.8Very high3 Ų346.1 Ų46.12%0.02126%0.263CS..  trans-164.4-159.3-173.1-171.90000108.4N85 D87 W147 N151N85-S155 WeakPolarHBondContact O-CB 3.31Å; N85-S155 PolarHBondContact O-OG 2.87Å; D87-S155 PolarHBondContact OD1-N 2.98Å; W147-S155 PolarHBondContact N-OG 3.37Å; N151-S155 PolarHBondContact O-N 3.42Å
156C95.9Very high95.9Very high0 Ų044 Ų440%024%0.24CC..  trans59.252.5-175.2-49.80000110.9R143 L144 P146 C152R143-C156 HydrophobicContact CG-CB 4.25Å; R143-C156 WeakPolarHBondContact CG-O 3.36Å; R143-C156 PolarHBondContact NE-O 3.25Å; L144-C156 WeakPolarHBondContact O-CA 3.45Å; L144-C156 VanDerWaalsContact O-CB 3.22Å; L144-C156 WeakPolarHBondContact O-CB 3.24Å; P146-C156 WeakPolarHBondContact CA-SG 3.29Å; P146-C156 VanDerWaalsContact N-SG 3.36Å; C152-C156 WeakPolarHBondContact CA-SG 3.35Å; C152-C156 HydrophobicContact CB-CB 3.51Å; C152-C156 WeakPolarHBondContact CB-SG 3.22Å; C152-C156 WeakPolarHBondContact SG-CB 3.46Å; C152-C156 CovalentContact SG-SG 2.03Å; C152-C156 PolarHBondContact SG-SG 2.97Å
157S94.4Very high96.1Very high3 Ų340.4 Ų40.42%0.02122%0.215CC..  trans-56.3154.1-176.7-58.80000112.8A84 N127 L144A84-S157 WeakPolarHBondContact O-CB 3.16Å; A84-S157 PolarHBondContact O-OG 3.3Å; N127-S157 WeakPolarHBondContact OD1-CB 3.41Å; L144-S157 PolarHBondContact N-O 2.92Å
158Y96.6Very high96.1Very high32 Ų3243.6 Ų43.613%0.12523%0.233CC..EExtended strand (participates in β ladder)trans-96.6111.6179.7-68.6-90.6000108.9N127 V128 K130 L133 V141 R143N127-Y158 PolarHBondContact OD1-O 2.99Å; V128-Y158 WeakPolarHBondContact CG2-O 3.48Å; V128-Y158 PolarHBondContact N-O 3.22Å; V128-Y158 WeakPolarHBondContact O-CB 3.29Å; K130-Y158 HydrophobicContact CB-CD2 4.11Å; K130-Y158 HydrophobicContact CB-CE2 3.74Å; K130-Y158 HydrophobicContact CD-CE2 4.22Å; K130-Y158 HydrophobicContact CG-CE2 3.92Å; L133-Y158 HydrophobicContact CD1-CD1 3.83Å; L133-Y158 HydrophobicContact CD1-CE1 3.64Å; V141-Y158 HydrophobicContact CG1-CD1 3.94Å; V141-Y158 HydrophobicContact CG1-CG 4.33Å; R143-Y158 HydrophobicContact CB-CD1 4.16Å; R143-Y158 HydrophobicContact CB-CE1 4.06Å; R143-Y158 HydrophobicContact CG-CD1 4.22Å; R143-Y158 HydrophobicContact CG-CE1 3.95Å
159I96.6Very high96.4Very high4 Ų445.5 Ų45.52%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-102.5120.1178.7-56.2-55.6000109.1A84 N127 V141 T142 L144 F193A84-I159 HydrophobicContact CB-CD1 4.26Å; N127-I159 HydrophobicContact CB-CD1 3.91Å; V141-I159 WeakPolarHBondContact CA-O 2.91Å; T142-I159 PolarHBondContact N-O 3.03Å; T142-I159 PolarHBondContact O-N 3.47Å; L144-I159 HydrophobicContact CD1-CD1 4.19Å; L144-I159 HydrophobicContact CD1-CG1 3.47Å; L144-I159 VanDerWaalsContact CD1-CG1 3.47Å; L144-I159 HydrophobicContact CD2-CG1 4.32Å; L144-I159 HydrophobicContact CG-CG1 3.69Å; I159-F193 HydrophobicContact CG2-CE1 4.45Å
160L97.1Very high96.5Very high0 Ų038.1 Ų38.10%020%0.199CC..EExtended strand (participates in β ladder)trans-69131.4173.6-173.460000109.8G126 V128 A139 V141 D164 L166 F167 I170G126-L160 WeakPolarHBondContact O-CB 3.42Å; G126-L160 PolarHBondContact O-N 3.37Å; V128-L160 HydrophobicContact CG1-CB 4.29Å; V128-L160 HydrophobicContact CG1-CD2 4.39Å; V128-L160 HydrophobicContact CG2-CB 4.42Å; A139-L160 HydrophobicContact CB-CD1 4.12Å; V141-L160 HydrophobicContact CG2-CD1 3.64Å; L160-D164 HydrophobicContact CD1-CB 3.96Å; L160-D164 HydrophobicContact CG-CB 4.32Å; L160-L166 HydrophobicContact CD1-CB 4.41Å; L160-L166 HydrophobicContact CD1-CD2 4.29Å; L160-L166 HydrophobicContact CD2-CB 3.96Å; L160-L166 HydrophobicContact CD2-CD2 4.22Å; L160-L166 HydrophobicContact CD2-CG 3.94Å; L160-F167 HydrophobicContact CB-CD2 4.26Å; L160-F167 HydrophobicContact CD2-CB 4.02Å; L160-F167 HydrophobicContact CD2-CD2 4.42Å; L160-F167 HydrophobicContact CG-CB 4.32Å; L160-F167 HydrophobicContact CG-CD2 4.27Å; L160-I170 HydrophobicContact CD2-CD1 4.32Å
161D96.3Very high96.6Very high9 Ų937.8 Ų37.85%0.04820%0.198CC..PPolyproline II helixtrans-59.6132.4177.1-172-65.2000108.9N140 R163 D164N140-D161 HydrophobicContact CB-CB 3.97Å; N140-D161 VanDerWaalsContact ND2-CB 3.32Å; N140-D161 WeakPolarHBondContact ND2-CB 3.38Å; N140-D161 VanDerWaalsContact ND2-CG 3.32Å; N140-D161 PolarHBondContact ND2-OD2 3.29Å; N140-D161 VanDerWaalsContact O-CB 3.3Å; N140-D161 WeakPolarHBondContact O-CB 3.4Å; N140-D161 PolarHBondContact O-N 3.2Å; D161-R163 PolarHBondContact O-N 3.48Å; D161-R163 VanDerWaalsContact OD1-CB 3.31Å; D161-R163 WeakPolarHBondContact OD1-CB 3.5Å; D161-R163 IonicContact OD1-CZ 2.92Å; D161-R163 PolarHBondContact OD1-N 2.85Å; D161-R163 IonicContact OD1-NE 3.51Å; D161-R163 PolarHBondContact OD1-NE 3.28Å; D161-R163 IonicContact OD1-NH2 2.76Å; D161-R163 IonicContact OD2-CZ 3.65Å; D161-R163 IonicContact OD2-NE 3.69Å; D161-R163 IonicContact OD2-NH2 2.71Å; D161-R163 PolarHBondContact OD2-NH2 3.42Å; D161-D164 WeakPolarHBondContact O-CB 3.36Å; D161-D164 PolarHBondContact O-N 3.13Å
162P94Very high96.7Very high7 Ų735.7 Ų35.75%0.04519%0.188CC..THydrogen-bonded Turntrans-59.8-23.4-17725.7-37.5000113.7F167 Y205 A208 V209 S212P162-F167 HydrophobicContact CB-CE2 4.49Å; P162-Y205 HydrophobicContact CG-CE2 4.15Å; P162-A208 WeakPolarHBondContact CB-O 2.96Å; P162-A208 HydrophobicContact CG-CB 4.23Å; P162-V209 HydrophobicContact CB-CG2 4.35Å; P162-V209 HydrophobicContact CG-CB 4.46Å; P162-V209 HydrophobicContact CG-CG2 3.77Å; P162-S212 VanDerWaalsContact O-CB 3.31Å; P162-S212 WeakPolarHBondContact O-CB 3.49Å; P162-S212 PolarHBondContact O-OG 2.9Å
163R94.1Very high96.8Very high162 Ų16236.9 Ų36.961%0.61119%0.19SC*.THydrogen-bonded Turntrans-88.3-5.8-179.6-57.7162.6-66.6-175.80.8112.8D161 A208D161-R163 PolarHBondContact O-N 3.48Å; D161-R163 VanDerWaalsContact OD1-CB 3.31Å; D161-R163 WeakPolarHBondContact OD1-CB 3.5Å; D161-R163 IonicContact OD1-CZ 2.92Å; D161-R163 PolarHBondContact OD1-N 2.85Å; D161-R163 IonicContact OD1-NE 3.51Å; D161-R163 PolarHBondContact OD1-NE 3.28Å; D161-R163 IonicContact OD1-NH2 2.76Å; D161-R163 IonicContact OD2-CZ 3.65Å; D161-R163 IonicContact OD2-NE 3.69Å; D161-R163 IonicContact OD2-NH2 2.71Å; D161-R163 PolarHBondContact OD2-NH2 3.42Å; R163-A208 HydrophobicContact CG-CB 4.2Å
164D97.7Very high97Very high27 Ų2733.5 Ų33.514%0.14417%0.167CC..SBendtrans-72130.2174.7-164.3-66.2000109.8A139 N140 L160 D161 L166 F167A139-D164 WeakPolarHBondContact CA-OD2 3.34Å; N140-D164 PolarHBondContact N-OD2 3.16Å; L160-D164 HydrophobicContact CD1-CB 3.96Å; L160-D164 HydrophobicContact CG-CB 4.32Å; D161-D164 WeakPolarHBondContact O-CB 3.36Å; D161-D164 PolarHBondContact O-N 3.13Å; D164-L166 PolarHBondContact O-N 3.41Å; D164-L166 WeakPolarHBondContact OD1-CB 3.18Å; D164-L166 PolarHBondContact OD1-N 3.28Å; D164-F167 VanDerWaalsContact O-CB 3.25Å; D164-F167 WeakPolarHBondContact O-CB 3.36Å; D164-F167 PolarHBondContact O-N 3.43Å
165P96.9Very high97.1Very high108 Ų10831.5 Ų31.570%0.70116%0.158SC*.Hα-helixtrans-55-26.9177.9-26.534.9000114.1F167 L168 Q169P165-F167 PolarHBondContact O-N 3.22Å; P165-L168 PolarHBondContact O-N 3.49Å; P165-Q169 PolarHBondContact O-N 2.98Å
166L97.8Very high97.2Very high8 Ų833.7 Ų33.74%0.04217%0.173CC..Hα-helixtrans-63.8-25.5177.2-172.963.1000112.2I132 Y136 A139 L160 D164 Q169 I170I132-L166 HydrophobicContact CG2-CD2 3.77Å; Y136-L166 HydrophobicContact CD1-CD1 4.09Å; Y136-L166 HydrophobicContact CD1-CD2 4.29Å; Y136-L166 HydrophobicContact CD2-CD1 4.19Å; Y136-L166 HydrophobicContact CD2-CD2 3.85Å; Y136-L166 HydrophobicContact CE1-CD1 3.95Å; Y136-L166 HydrophobicContact CE2-CD1 4.05Å; Y136-L166 HydrophobicContact CE2-CD2 4.48Å; Y136-L166 HydrophobicContact CG-CD1 4.21Å; Y136-L166 HydrophobicContact CG-CD2 3.73Å; A139-L166 HydrophobicContact CB-CD2 3.9Å; L160-L166 HydrophobicContact CD1-CB 4.41Å; L160-L166 HydrophobicContact CD1-CD2 4.29Å; L160-L166 HydrophobicContact CD2-CB 3.96Å; L160-L166 HydrophobicContact CD2-CD2 4.22Å; L160-L166 HydrophobicContact CD2-CG 3.94Å; D164-L166 PolarHBondContact O-N 3.41Å; D164-L166 WeakPolarHBondContact OD1-CB 3.18Å; D164-L166 PolarHBondContact OD1-N 3.28Å; L166-Q169 HydrophobicContact CD1-CB 4.49Å; L166-Q169 PolarHBondContact O-N 3.23Å; L166-I170 HydrophobicContact CD1-CD1 3.94Å; L166-I170 HydrophobicContact CD1-CG1 3.89Å; L166-I170 HydrophobicContact CD2-CD1 4.05Å; L166-I170 HydrophobicContact CG-CD1 3.67Å; L166-I170 HydrophobicContact CG-CG1 4.01Å; L166-I170 WeakPolarHBondContact O-CG1 3.47Å; L166-I170 PolarHBondContact O-N 3.05Å
167F98.3Very high97.3Very high4 Ų435.3 Ų35.32%0.01818%0.181CC..Hα-helixtrans-61.6-51.7179.1-165.4-69.4000110.8F124 L160 P162 D164 P165 Q169 G171 V213F124-F167 HydrophobicContact CD1-CD1 4.2Å; F124-F167 AromaticContact CD1-CE1 3.93Å; F124-F167 HydrophobicContact CD1-CE1 3.93Å; F124-F167 HydrophobicContact CD1-CZ 4.21Å; F124-F167 HydrophobicContact CE1-CD1 4.04Å; F124-F167 HydrophobicContact CE1-CD2 4.16Å; F124-F167 HydrophobicContact CE1-CE1 4.04Å; F124-F167 HydrophobicContact CE1-CE2 4.21Å; F124-F167 HydrophobicContact CE1-CG 4.08Å; F124-F167 HydrophobicContact CE1-CZ 4.13Å; L160-F167 HydrophobicContact CB-CD2 4.26Å; L160-F167 HydrophobicContact CD2-CB 4.02Å; L160-F167 HydrophobicContact CD2-CD2 4.42Å; L160-F167 HydrophobicContact CG-CB 4.32Å; L160-F167 HydrophobicContact CG-CD2 4.27Å; P162-F167 HydrophobicContact CB-CE2 4.49Å; D164-F167 VanDerWaalsContact O-CB 3.25Å; D164-F167 WeakPolarHBondContact O-CB 3.36Å; D164-F167 PolarHBondContact O-N 3.43Å; P165-F167 PolarHBondContact O-N 3.22Å; F167-Q169 VanDerWaalsContact C-N 3.32Å; F167-Q169 PolarHBondContact O-N 2.64Å; F167-G171 PolarHBondContact O-N 3.12Å; F167-V213 HydrophobicContact CE1-CG2 4.11Å; F167-V213 HydrophobicContact CZ-CG2 3.73Å
168L97.9Very high97.5Very high85 Ų8535.1 Ų35.145%0.44518%0.18SC..Hα-helixtrans-63.1-40.8177.4-179.160.7000111.1P165 T172 A219P165-L168 PolarHBondContact O-N 3.49Å; L168-T172 WeakPolarHBondContact O-CB 3.36Å; L168-T172 PolarHBondContact O-N 3.25Å; L168-T172 PolarHBondContact O-OG1 3.25Å; L168-A219 HydrophobicContact CD1-CB 4.11Å
169Q98Very high97.6Very high91 Ų9135.6 Ų35.643%0.42519%0.186SC..Hα-helixtrans-61.5-53.2179.3-177.7179.2-7.100112P165 L166 F167 T172 L173P165-Q169 PolarHBondContact O-N 2.98Å; L166-Q169 HydrophobicContact CD1-CB 4.49Å; L166-Q169 PolarHBondContact O-N 3.23Å; F167-Q169 VanDerWaalsContact C-N 3.32Å; F167-Q169 PolarHBondContact O-N 2.64Å; Q169-T172 PolarHBondContact O-N 3.32Å; Q169-L173 HydrophobicContact CG-CD1 4.16Å; Q169-L173 WeakPolarHBondContact O-CB 3.29Å; Q169-L173 VanDerWaalsContact O-CG 3.29Å; Q169-L173 WeakPolarHBondContact O-CG 3.18Å; Q169-L173 PolarHBondContact O-N 3.45Å
170I98.5Very high97.7Very high0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-65.4-45.3-178.8-66.6178.5000110.5W54 L61 F124 V128 I132 L160 L166 T172 L173 Y174W54-I170 HydrophobicContact CH2-CG2 4.31Å; W54-I170 HydrophobicContact CZ3-CG2 3.99Å; L61-I170 HydrophobicContact CD1-CD1 4.37Å; L61-I170 HydrophobicContact CD1-CG1 4.06Å; F124-I170 HydrophobicContact CD1-CG2 4.48Å; F124-I170 HydrophobicContact CD2-CG2 4.2Å; F124-I170 HydrophobicContact CE1-CB 4.22Å; F124-I170 HydrophobicContact CE1-CG2 4.15Å; F124-I170 HydrophobicContact CE2-CG2 3.81Å; F124-I170 HydrophobicContact CG-CG2 4.49Å; F124-I170 HydrophobicContact CZ-CB 4.19Å; F124-I170 HydrophobicContact CZ-CG2 3.78Å; V128-I170 HydrophobicContact CG1-CD1 4.04Å; I132-I170 HydrophobicContact CD1-CD1 4.11Å; L160-I170 HydrophobicContact CD2-CD1 4.32Å; L166-I170 HydrophobicContact CD1-CD1 3.94Å; L166-I170 HydrophobicContact CD1-CG1 3.89Å; L166-I170 HydrophobicContact CD2-CD1 4.05Å; L166-I170 HydrophobicContact CG-CD1 3.67Å; L166-I170 HydrophobicContact CG-CG1 4.01Å; L166-I170 WeakPolarHBondContact O-CG1 3.47Å; L166-I170 PolarHBondContact O-N 3.05Å; I170-T172 VanDerWaalsContact C-N 3.34Å; I170-T172 PolarHBondContact O-N 2.7Å; I170-L173 PolarHBondContact O-N 3.49Å; I170-Y174 PolarHBondContact O-N 2.92Å
171G98.3Very high97.7Very high0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-60.7-42.317900000112.8F167 L175F167-G171 PolarHBondContact O-N 3.12Å; G171-L175 WeakPolarHBondContact O-CB 3.32Å; G171-L175 PolarHBondContact O-N 2.91Å
172T98.5Very high97.8Very high38 Ų3845.3 Ų45.323%0.23323%0.229CC..Hα-helixtrans-65.3-44176.1-57.40000111.5L168 Q169 I170 S176 V220L168-T172 WeakPolarHBondContact O-CB 3.36Å; L168-T172 PolarHBondContact O-N 3.25Å; L168-T172 PolarHBondContact O-OG1 3.25Å; Q169-T172 PolarHBondContact O-N 3.32Å; I170-T172 VanDerWaalsContact C-N 3.34Å; I170-T172 PolarHBondContact O-N 2.7Å; T172-S176 WeakPolarHBondContact O-CB 3.43Å; T172-S176 PolarHBondContact O-N 3.23Å; T172-S176 PolarHBondContact O-OG 3.17Å; T172-V220 HydrophobicContact CG2-CG2 3.73Å
173L98.4Very high98Very high78 Ų7846.5 Ų46.541%0.40824%0.242SC..Hα-helixtrans-60.2-48178.2-77.3170.5000111.5V57 L61 Q169 I170 S176 E177V57-L173 HydrophobicContact CG1-CB 4.2Å; L61-L173 HydrophobicContact CD2-CD1 3.75Å; L61-L173 HydrophobicContact CG-CD1 4.42Å; Q169-L173 HydrophobicContact CG-CD1 4.16Å; Q169-L173 WeakPolarHBondContact O-CB 3.29Å; Q169-L173 VanDerWaalsContact O-CG 3.29Å; Q169-L173 WeakPolarHBondContact O-CG 3.18Å; Q169-L173 PolarHBondContact O-N 3.45Å; I170-L173 PolarHBondContact O-N 3.49Å; L173-S176 PolarHBondContact O-N 3.06Å; L173-E177 PolarHBondContact O-N 3.43Å; L173-E177 VanDerWaalsContact O-N 3.11Å
174Y98.7Very high98.2Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-64-50.5179.5176.1-108.2000112.4L53 W54 V57 P122 I170 S176 E177 V178L53-Y174 HydrophobicContact CB-CE2 3.96Å; W54-Y174 AromaticContact CD1-CE2 3.55Å; W54-Y174 AromaticContact CD1-CZ 3.91Å; W54-Y174 AromaticContact CD2-CD2 3.39Å; W54-Y174 HydrophobicContact CD2-CD2 3.39Å; W54-Y174 AromaticContact CD2-CE2 3.46Å; W54-Y174 HydrophobicContact CD2-CE2 3.46Å; W54-Y174 VanDerWaalsContact CD2-CE2 3.46Å; W54-Y174 HydrophobicContact CD2-CG 4.09Å; W54-Y174 AromaticContact CE2-CD1 3.98Å; W54-Y174 AromaticContact CE2-CD2 3.38Å; W54-Y174 AromaticContact CE2-CE1 3.86Å; W54-Y174 AromaticContact CE2-CE2 3.24Å; W54-Y174 AromaticContact CE2-CG 3.74Å; W54-Y174 AromaticContact CE2-CZ 3.48Å; W54-Y174 VanDerWaalsContact CE2-CZ 3.48Å; W54-Y174 AromaticContact CE3-CD2 3.56Å; W54-Y174 HydrophobicContact CE3-CD2 3.56Å; W54-Y174 HydrophobicContact CE3-CE2 4.13Å; W54-Y174 HydrophobicContact CE3-CG 4.05Å; W54-Y174 HydrophobicContact CG-CD2 4.02Å; W54-Y174 AromaticContact CG-CE2 3.65Å; W54-Y174 HydrophobicContact CG-CE2 3.65Å; W54-Y174 AromaticContact CH2-CD1 3.68Å; W54-Y174 HydrophobicContact CH2-CD1 3.68Å; W54-Y174 AromaticContact CH2-CD2 3.66Å; W54-Y174 HydrophobicContact CH2-CD2 3.66Å; W54-Y174 HydrophobicContact CH2-CE1 4.35Å; W54-Y174 HydrophobicContact CH2-CE2 4.33Å; W54-Y174 AromaticContact CH2-CG 3.27Å; W54-Y174 HydrophobicContact CH2-CG 3.27Å; W54-Y174 AromaticContact CZ2-CD1 3.39Å; W54-Y174 HydrophobicContact CZ2-CD1 3.39Å; W54-Y174 AromaticContact CZ2-CD2 3.52Å; W54-Y174 HydrophobicContact CZ2-CD2 3.52Å; W54-Y174 AromaticContact CZ2-CE1 3.59Å; W54-Y174 HydrophobicContact CZ2-CE1 3.59Å; W54-Y174 AromaticContact CZ2-CE2 3.73Å; W54-Y174 HydrophobicContact CZ2-CE2 3.73Å; W54-Y174 AromaticContact CZ2-CG 3.33Å; W54-Y174 HydrophobicContact CZ2-CG 3.33Å; W54-Y174 AromaticContact CZ2-CZ 3.75Å; W54-Y174 AromaticContact CZ3-CD2 3.7Å; W54-Y174 HydrophobicContact CZ3-CD2 3.7Å; W54-Y174 AromaticContact CZ3-CG 3.67Å; W54-Y174 HydrophobicContact CZ3-CG 3.67Å; W54-Y174 AromaticContact NE1-CD2 3.96Å; W54-Y174 AromaticContact NE1-CE1 3.99Å; W54-Y174 AromaticContact NE1-CE2 3.31Å; W54-Y174 VanDerWaalsContact NE1-CE2 3.31Å; W54-Y174 AromaticContact NE1-CZ 3.31Å; W54-Y174 VanDerWaalsContact NE1-CZ 3.31Å; W54-Y174 PolarHBondContact NE1-OH 3.24Å; V57-Y174 HydrophobicContact CG2-CD2 4.3Å; P122-Y174 HydrophobicContact CB-CE1 4.49Å; P122-Y174 VanDerWaalsContact CG-OH 3.23Å; P122-Y174 WeakPolarHBondContact CG-OH 3.46Å; I170-Y174 PolarHBondContact O-N 2.92Å; Y174-S176 VanDerWaalsContact C-N 3.27Å; Y174-S176 PolarHBondContact O-N 3.02Å; Y174-E177 PolarHBondContact O-N 2.89Å; Y174-E177 VanDerWaalsContact O-N 3.08Å; Y174-V178 HydrophobicContact CD1-CG2 4.18Å; Y174-V178 HydrophobicContact CD2-CG2 4.42Å; Y174-V178 HydrophobicContact CE1-CG2 3.75Å; Y174-V178 HydrophobicContact CE2-CG2 4.01Å; Y174-V178 WeakPolarHBondContact O-CG2 3.48Å; Y174-V178 PolarHBondContact O-N 2.99Å
175L98.8Very high98.3Very high2 Ų241.2 Ų41.21%0.0123%0.227CC..Hα-helixtrans-66.8-32.5-178.1-165.464.4000112G171 E177 V178 V179 Y188 M217 V220G171-L175 WeakPolarHBondContact O-CB 3.32Å; G171-L175 PolarHBondContact O-N 2.91Å; L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 3.46Å; L175-V178 HydrophobicContact CD1-CB 4.3Å; L175-V178 HydrophobicContact CD1-CG1 4.41Å; L175-V178 PolarHBondContact O-N 3.3Å; L175-V179 HydrophobicContact CG-CG2 4.41Å; L175-V179 WeakPolarHBondContact O-CB 3.42Å; L175-V179 VanDerWaalsContact O-CG2 3.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.38Å; L175-V179 PolarHBondContact O-N 3.39Å; L175-Y188 HydrophobicContact CD1-CD1 3.62Å; L175-Y188 HydrophobicContact CD1-CE1 3.57Å; L175-Y188 HydrophobicContact CD1-CG 4.33Å; L175-Y188 HydrophobicContact CD2-CE1 4.43Å; L175-Y188 HydrophobicContact CG-CE1 4.37Å; L175-M217 VanDerWaalsContact CD2-CA 3.48Å; L175-M217 HydrophobicContact CD2-CB 4.08Å; L175-M217 HydrophobicContact CD2-CG 4.28Å; L175-V220 HydrophobicContact CB-CB 4.47Å; L175-V220 HydrophobicContact CB-CG2 4.16Å; L175-V220 HydrophobicContact CD2-CB 4.11Å; L175-V220 HydrophobicContact CD2-CG2 4.5Å; L175-V220 HydrophobicContact CG-CB 4.32Å; L175-V220 HydrophobicContact CG-CG1 4.41Å
176S98.6Very high98.3Very high49 Ų4939.5 Ų39.534%0.34321%0.21SC..Hα-helixtrans-61.2-41.6172-62.20000111.6T172 L173 Y174 K180 V220T172-S176 WeakPolarHBondContact O-CB 3.43Å; T172-S176 PolarHBondContact O-N 3.23Å; T172-S176 PolarHBondContact O-OG 3.17Å; L173-S176 PolarHBondContact O-N 3.06Å; Y174-S176 VanDerWaalsContact C-N 3.27Å; Y174-S176 PolarHBondContact O-N 3.02Å; S176-K180 WeakPolarHBondContact O-CB 3.47Å; S176-K180 PolarHBondContact O-N 2.99Å; S176-V220 WeakPolarHBondContact OG-CG2 3.37Å
177E98.4Very high98.4Very high34 Ų3439.5 Ų39.516%0.15921%0.209CC..Hα-helixtrans-69-40176.7-167.459.9-151.900111.6L53 V57 L173 Y174 L175 K180 Q181L53-E177 HydrophobicContact CD2-CG 4.27Å; V57-E177 HydrophobicContact CG2-CB 4.22Å; L173-E177 PolarHBondContact O-N 3.43Å; L173-E177 VanDerWaalsContact O-N 3.11Å; Y174-E177 PolarHBondContact O-N 2.89Å; Y174-E177 VanDerWaalsContact O-N 3.08Å; L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 3.46Å; E177-K180 PolarHBondContact O-N 3.48Å; E177-K180 IonicContact OE1-NZ 3.23Å; E177-K180 PolarHBondContact OE1-NZ 3.2Å; E177-K180 IonicContact OE2-NZ 2.75Å; E177-K180 PolarHBondContact OE2-NZ 2.75Å; E177-Q181 HydrophobicContact CG-CG 4.35Å; E177-Q181 WeakPolarHBondContact O-CB 3.34Å; E177-Q181 VanDerWaalsContact O-CG 3.25Å; E177-Q181 WeakPolarHBondContact O-CG 3.47Å; E177-Q181 PolarHBondContact O-N 3.3Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.38Å; E177-Q181 PolarHBondContact OE1-NE2 3.33Å
178V98.6Very high98.4Very high0 Ų039.3 Ų39.30%021%0.209CC..Hα-helixtrans-55.9-53.6171.9171.80000110.9L53 L121 Y174 L175 K180 Q181 F182L53-V178 HydrophobicContact CD1-CB 4.19Å; L53-V178 HydrophobicContact CD1-CG2 3.61Å; L121-V178 HydrophobicContact CB-CG1 4.11Å; L121-V178 HydrophobicContact CD1-CG1 3.95Å; L121-V178 HydrophobicContact CG-CG1 4.48Å; Y174-V178 HydrophobicContact CD1-CG2 4.18Å; Y174-V178 HydrophobicContact CD2-CG2 4.42Å; Y174-V178 HydrophobicContact CE1-CG2 3.75Å; Y174-V178 HydrophobicContact CE2-CG2 4.01Å; Y174-V178 WeakPolarHBondContact O-CG2 3.48Å; Y174-V178 PolarHBondContact O-N 2.99Å; L175-V178 HydrophobicContact CD1-CB 4.3Å; L175-V178 HydrophobicContact CD1-CG1 4.41Å; L175-V178 PolarHBondContact O-N 3.3Å; V178-K180 PolarHBondContact O-N 2.88Å; V178-Q181 PolarHBondContact O-N 3.4Å; V178-F182 HydrophobicContact CG1-CD2 4.39Å; V178-F182 WeakPolarHBondContact O-CB 3.23Å; V178-F182 PolarHBondContact O-N 3.11Å
179V98.5Very high98.4Very high41 Ų4135.4 Ų35.425%0.24819%0.188CC..Hα-helixtrans-66.4-38.4-177.7174.20000111.5L175 G183 T184 V220L175-V179 HydrophobicContact CG-CG2 4.41Å; L175-V179 WeakPolarHBondContact O-CB 3.42Å; L175-V179 VanDerWaalsContact O-CG2 3.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.38Å; L175-V179 PolarHBondContact O-N 3.39Å; V179-G183 WeakPolarHBondContact O-CA 3.47Å; V179-G183 PolarHBondContact O-N 3.04Å; V179-T184 HydrophobicContact CG1-CG2 4.37Å; V179-T184 HydrophobicContact CG2-CG2 4.48Å; V179-V220 HydrophobicContact CB-CG1 4.44Å; V179-V220 HydrophobicContact CG2-CG1 4.08Å
180K98Very high98.4Very high145 Ų14531.5 Ų31.563%0.6317%0.171SC*.Hα-helixtrans-63.1-43.5176.9173.1-176.7153.1-143.40112.1S176 E177 V178S176-K180 WeakPolarHBondContact O-CB 3.47Å; S176-K180 PolarHBondContact O-N 2.99Å; E177-K180 PolarHBondContact O-N 3.48Å; E177-K180 IonicContact OE1-NZ 3.23Å; E177-K180 PolarHBondContact OE1-NZ 3.2Å; E177-K180 IonicContact OE2-NZ 2.75Å; E177-K180 PolarHBondContact OE2-NZ 2.75Å; V178-K180 PolarHBondContact O-N 2.88Å
181Q97.6Very high98.2Very high64 Ų6431.9 Ų31.930%0.29917%0.173SC..Hα-helixtrans-77.6-45.3-178.5-66.4-67.2-17.300111.3L53 F106 E177 V178L53-Q181 HydrophobicContact CD2-CB 4.29Å; L53-Q181 HydrophobicContact CD2-CG 3.81Å; F106-Q181 WeakPolarHBondContact CE1-O 3.3Å; E177-Q181 HydrophobicContact CG-CG 4.35Å; E177-Q181 WeakPolarHBondContact O-CB 3.34Å; E177-Q181 VanDerWaalsContact O-CG 3.25Å; E177-Q181 WeakPolarHBondContact O-CG 3.47Å; E177-Q181 PolarHBondContact O-N 3.3Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.38Å; E177-Q181 PolarHBondContact OE1-NE2 3.33Å; V178-Q181 PolarHBondContact O-N 3.4Å
182F98.4Very high97.6Very high9 Ų932.4 Ų32.44%0.03918%0.176CC..Hα-helixtrans-110.1-5.9-165.8-62.9-34.3000114.8L53 L102 Q105 F106 L109 R113 L121 V178L53-F182 HydrophobicContact CD1-CD2 4.02Å; L53-F182 HydrophobicContact CD1-CE2 3.49Å; L53-F182 VanDerWaalsContact CD1-CE2 3.49Å; L53-F182 HydrophobicContact CD1-CZ 4.2Å; L53-F182 HydrophobicContact CG-CE2 4.29Å; L102-F182 HydrophobicContact CD1-CE1 3.53Å; L102-F182 HydrophobicContact CD1-CZ 3.39Å; Q105-F182 HydrophobicContact CB-CE1 4.16Å; Q105-F182 HydrophobicContact CB-CZ 4.02Å; Q105-F182 HydrophobicContact CG-CD1 4.22Å; Q105-F182 HydrophobicContact CG-CD2 4.35Å; Q105-F182 HydrophobicContact CG-CE1 3.7Å; Q105-F182 HydrophobicContact CG-CE2 3.82Å; Q105-F182 HydrophobicContact CG-CZ 3.47Å; Q105-F182 VanDerWaalsContact CG-CZ 3.47Å; F106-F182 HydrophobicContact CD1-CD1 4.22Å; F106-F182 HydrophobicContact CD1-CE1 4.42Å; F106-F182 HydrophobicContact CD2-CE1 4.41Å; F106-F182 AromaticContact CE1-CD1 3.91Å; F106-F182 HydrophobicContact CE1-CD1 3.91Å; F106-F182 HydrophobicContact CE1-CE1 4.16Å; F106-F182 HydrophobicContact CE2-CE1 4.13Å; F106-F182 HydrophobicContact CZ-CD1 4.13Å; F106-F182 AromaticContact CZ-CE1 3.99Å; F106-F182 HydrophobicContact CZ-CE1 3.99Å; L109-F182 HydrophobicContact CD1-CB 3.54Å; L109-F182 HydrophobicContact CD1-CD1 3.8Å; L109-F182 HydrophobicContact CD1-CD2 4.31Å; L109-F182 HydrophobicContact CD1-CG 3.63Å; R113-F182 VanDerWaalsContact CZ-O 3.25Å; R113-F182 PolarHBondContact NH1-O 3.35Å; R113-F182 PolarHBondContact NH2-O 3.44Å; L121-F182 HydrophobicContact CD1-CB 4.43Å; L121-F182 HydrophobicContact CD2-CD2 4.43Å; V178-F182 HydrophobicContact CG1-CD2 4.39Å; V178-F182 WeakPolarHBondContact O-CB 3.23Å; V178-F182 PolarHBondContact O-N 3.11Å
183G98.3Very high97.4Very high31 Ų3130.9 Ų30.932%0.3217%0.166SC..  trans64.2-163.1-162.500000111.1L121 V179L121-G183 WeakPolarHBondContact CD1-O 3.37Å; V179-G183 WeakPolarHBondContact O-CA 3.47Å; V179-G183 PolarHBondContact O-N 3.04Å
184T98.3Very high97.3Very high37 Ų3727.5 Ų27.523%0.22715%0.149CC..  trans-152.9154.6176.8-173.60000112.7V179 H186 Y188V179-T184 HydrophobicContact CG1-CG2 4.37Å; V179-T184 HydrophobicContact CG2-CG2 4.48Å; T184-H186 PolarHBondContact OG1-N 2.87Å; T184-Y188 WeakPolarHBondContact CB-OH 3.46Å; T184-Y188 VanDerWaalsContact OG1-CZ 3.23Å; T184-Y188 PolarHBondContact OG1-OH 2.99Å
185D98.6Very high97.1Very high42 Ų4231 Ų3123%0.22517%0.165CC..  trans-119.921.9171.1-51.8-93000110.6R113 I118 P119 I187R113-D185 IonicContact CZ-OD2 3.51Å; R113-D185 VanDerWaalsContact CZ-OD2 3.23Å; R113-D185 IonicContact NE-OD1 3.56Å; R113-D185 PolarHBondContact NE-OD1 3.23Å; R113-D185 IonicContact NE-OD2 3.41Å; R113-D185 PolarHBondContact NE-OD2 3.38Å; R113-D185 IonicContact NH2-OD2 2.79Å; R113-D185 PolarHBondContact NH2-OD2 3.29Å; I118-D185 HydrophobicContact CG2-CB 3.79Å; P119-D185 WeakPolarHBondContact CD-OD2 3.18Å; D185-I187 VanDerWaalsContact C-N 3.26Å; D185-I187 PolarHBondContact O-N 3.43Å
186H98.7Very high96.9Very high72 Ų7231.6 Ų31.633%0.33317%0.168SC..SBendtrans68.42.4171.4-51.3-61.3000117.3T184 D221 N223 A224 I225T184-H186 PolarHBondContact OG1-N 2.87Å; H186-D221 WeakPolarHBondContact CA-OD2 3.32Å; H186-D221 IonicContact CE1-OD1 2.73Å; H186-D221 IonicContact CE1-OD2 3.09Å; H186-D221 IonicContact CG-OD2 3.2Å; H186-D221 VanDerWaalsContact ND1-CG 3.31Å; H186-D221 IonicContact ND1-OD1 3.66Å; H186-D221 PolarHBondContact ND1-OD1 2.78Å; H186-D221 VanDerWaalsContact ND1-OD1 3.09Å; H186-D221 IonicContact ND1-OD2 3.39Å; H186-D221 PolarHBondContact ND1-OD2 3.41Å; H186-N223 HydrophobicContact CB-CB 4.26Å; H186-A224 CarbonylContact O-C 3.58Å; H186-A224 WeakPolarHBondContact O-CA 3.46Å; H186-I225 PolarHBondContact O-N 2.9Å
187I98.9Very high96.7Very high7 Ų733.2 Ų33.24%0.03618%0.176CC..EExtended strand (participates in β ladder)trans-114125.3177.8-51.6-169.3000110F8 L43 I118 V120 L121 D185 I225 L227F8-I187 HydrophobicContact CE1-CD1 4.36Å; F8-I187 HydrophobicContact CZ-CD1 4.3Å; L43-I187 HydrophobicContact CD1-CD1 3.66Å; I118-I187 HydrophobicContact CG2-CB 4.49Å; I118-I187 HydrophobicContact CG2-CD1 3.93Å; I118-I187 HydrophobicContact CG2-CG1 4.08Å; V120-I187 HydrophobicContact CG1-CG2 4.2Å; V120-I187 HydrophobicContact CG2-CG2 4.08Å; L121-I187 PolarHBondContact N-O 3.33Å; L121-I187 VanDerWaalsContact N-O 3.14Å; D185-I187 VanDerWaalsContact C-N 3.26Å; D185-I187 PolarHBondContact O-N 3.43Å; I187-I225 WeakPolarHBondContact CA-O 3.19Å; I187-I225 HydrophobicContact CG1-CB 4.25Å; I187-L227 HydrophobicContact CG2-CB 3.93Å
188Y98.9Very high96.6Very high0 Ų031.9 Ų31.90%017%0.17CC..EExtended strand (participates in β ladder)trans-125139.4-177.2-50-81.4000111.4L121 L175 T184 D221 A224 I225 W226 L227L121-Y188 HydrophobicContact CB-CD1 3.99Å; L121-Y188 HydrophobicContact CB-CE1 4.33Å; L121-Y188 CarbonylContact O-C 3.6Å; L121-Y188 WeakPolarHBondContact O-CA 3.27Å; L175-Y188 HydrophobicContact CD1-CD1 3.62Å; L175-Y188 HydrophobicContact CD1-CE1 3.57Å; L175-Y188 HydrophobicContact CD1-CG 4.33Å; L175-Y188 HydrophobicContact CD2-CE1 4.43Å; L175-Y188 HydrophobicContact CG-CE1 4.37Å; T184-Y188 WeakPolarHBondContact CB-OH 3.46Å; T184-Y188 VanDerWaalsContact OG1-CZ 3.23Å; T184-Y188 PolarHBondContact OG1-OH 2.99Å; Y188-D221 HydrophobicContact CE2-CB 4.1Å; Y188-D221 WeakPolarHBondContact CE2-OD2 3.31Å; Y188-D221 WeakPolarHBondContact OH-CB 3.45Å; Y188-D221 PolarHBondContact OH-OD2 3.39Å; Y188-A224 HydrophobicContact CD2-CB 3.85Å; Y188-A224 HydrophobicContact CE2-CB 3.65Å; Y188-I225 PolarHBondContact N-O 2.91Å; Y188-W226 CarbonylContact O-C 3.46Å; Y188-W226 WeakPolarHBondContact O-CA 3.48Å; Y188-L227 PolarHBondContact O-N 3.49Å
189N98.5Very high96.4Very high4 Ų434.8 Ų34.82%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-112.4138.8173.5172.5-102.8000111.4L45 F47 V120 L121 P122 A123 D191 L227L45-N189 HydrophobicContact CD2-CB 4.35Å; F47-N189 HydrophobicContact CE1-CB 4.26Å; F47-N189 HydrophobicContact CZ-CB 3.93Å; F47-N189 WeakPolarHBondContact CZ-OD1 3.25Å; V120-N189 HydrophobicContact CG1-CB 3.58Å; L121-N189 PolarHBondContact O-N 3.46Å; P122-N189 CarbonylContact C-O 3.55Å; P122-N189 WeakPolarHBondContact CA-O 3.4Å; A123-N189 PolarHBondContact N-O 3.43Å; N189-D191 PolarHBondContact ND2-OD2 2.77Å; N189-D191 PolarHBondContact OD1-OD2 3.11Å; N189-L227 VanDerWaalsContact CA-O 3.32Å; N189-L227 WeakPolarHBondContact CA-O 3.33Å; N189-L227 HydrophobicContact CB-CB 4.31Å; N189-L227 PolarHBondContact ND2-O 3.21Å
190T96.5Very high96.3Very high9 Ų934.8 Ų34.86%0.05519%0.191CC..  trans-163.7147.5169.4-174.40000108.5A123 S125 V213 M217 W226A123-T190 HydrophobicContact CB-CG2 4.01Å; A123-T190 PolarHBondContact O-OG1 3.23Å; S125-T190 VanDerWaalsContact CA-OG1 3.25Å; S125-T190 WeakPolarHBondContact CA-OG1 3.38Å; S125-T190 WeakPolarHBondContact CB-OG1 3.27Å; S125-T190 PolarHBondContact N-OG1 3.48Å; T190-V213 HydrophobicContact CG2-CG1 3.54Å; T190-M217 HydrophobicContact CG2-CE 3.58Å; T190-W226 PolarHBondContact O-NE1 3.43Å
191D94Very high96.2Very high8 Ų831 Ų314%0.04318%0.182CC..  trans-136.8121.5-176-62.8-79.1000109.2N189 N194 Q229N189-D191 PolarHBondContact ND2-OD2 2.77Å; N189-D191 PolarHBondContact OD1-OD2 3.11Å; D191-N194 HydrophobicContact CB-CB 4.39Å; D191-Q229 WeakPolarHBondContact OD1-CB 3.43Å; D191-Q229 PolarHBondContact OD1-N 3Å; D191-Q229 PolarHBondContact OD2-OE1 2.91Å
192T87.4Confident96.2Very high10 Ų1031.6 Ų31.66%0.06119%0.188CC..SBendtrans-88.8-34.7-170.2-53.90000113.3S125 M196 V209S125-T192 WeakPolarHBondContact O-CG2 3.42Å; S125-T192 PolarHBondContact O-OG1 2.82Å; T192-M196 WeakPolarHBondContact O-CE 3.33Å; T192-V209 HydrophobicContact CG2-CG1 4.18Å
193F93.8Very high96.3Very high6 Ų633.7 Ų33.73%0.02620%0.202CC..  trans-131.435.3-171-59.7-61.1000112.4I159 E195 M196 P198 Y205 V209 W240I159-F193 HydrophobicContact CG2-CE1 4.45Å; F193-E195 PolarHBondContact O-N 3.41Å; F193-E195 VanDerWaalsContact O-N 3.1Å; F193-M196 PolarHBondContact O-N 2.94Å; F193-P198 HydrophobicContact CB-CG 4.04Å; F193-P198 HydrophobicContact CD1-CB 4.22Å; F193-P198 HydrophobicContact CD1-CG 4.11Å; F193-P198 HydrophobicContact CD2-CB 3.99Å; F193-P198 HydrophobicContact CD2-CG 3.61Å; F193-P198 HydrophobicContact CE1-CB 4.13Å; F193-P198 HydrophobicContact CE2-CB 3.86Å; F193-P198 HydrophobicContact CE2-CG 4.02Å; F193-P198 HydrophobicContact CG-CB 4.16Å; F193-P198 HydrophobicContact CG-CG 3.66Å; F193-P198 HydrophobicContact CZ-CB 3.96Å; F193-P198 HydrophobicContact CZ-CG 4.47Å; F193-Y205 HydrophobicContact CZ-CE1 4.41Å; F193-V209 HydrophobicContact CE2-CG1 3.93Å; F193-V209 HydrophobicContact CE2-CG2 3.97Å; F193-V209 HydrophobicContact CZ-CG2 4.4Å; F193-W240 HydrophobicContact CB-CZ2 4.49Å
194N95Very high96.2Very high8 Ų837 Ų374%0.04322%0.217CC..THydrogen-bonded Turntrans-63.6114.2174.7-167.876.4000109.4M83 N85 D191 M196M83-N194 HydrophobicContact CB-CB 4.45Å; M83-N194 HydrophobicContact CG-CB 4.43Å; M83-N194 HydrophobicContact SD-CB 3.99Å; M83-N194 PolarHBondContact SD-ND2 3.49Å; N85-N194 PolarHBondContact ND2-O 3.28Å; D191-N194 HydrophobicContact CB-CB 4.39Å; N194-M196 PolarHBondContact O-N 3.41Å; N194-M196 VanDerWaalsContact O-N 3.09Å
195E95.1Very high96.2Very high72 Ų7236 Ų3634%0.33621%0.208SC..THydrogen-bonded Turntrans55.520.5-174.4-58.3-171.117200115.7W147 F193 W231W147-E195 WeakPolarHBondContact CZ2-OE2 3.49Å; W147-E195 PolarHBondContact NE1-OE2 3.14Å; F193-E195 PolarHBondContact O-N 3.41Å; F193-E195 VanDerWaalsContact O-N 3.1Å; E195-W231 PolarHBondContact OE1-NE1 3.46Å
196M95.1Very high96.2Very high15 Ų1534 Ų347%0.07420%0.198CC..SBendtrans-120.7144.7175-64-173.6-65.300109.9M83 A84 L144 T192 F193 N194 P198M83-M196 VanDerWaalsContact O-CE 3.23Å; M83-M196 WeakPolarHBondContact O-CE 3.45Å; A84-M196 HydrophobicContact CB-CE 3.88Å; L144-M196 HydrophobicContact CD1-CB 4.11Å; L144-M196 HydrophobicContact CD1-CE 4.08Å; L144-M196 HydrophobicContact CD1-CG 4.43Å; L144-M196 HydrophobicContact CD1-SD 3.58Å; L144-M196 VanDerWaalsContact CD1-SD 3.58Å; T192-M196 WeakPolarHBondContact O-CE 3.33Å; F193-M196 PolarHBondContact O-N 2.94Å; N194-M196 PolarHBondContact O-N 3.41Å; N194-M196 VanDerWaalsContact O-N 3.09Å; M196-P198 WeakPolarHBondContact O-CD 3.34Å
197T94.6Very high96.2Very high84 Ų8432.5 Ų32.552%0.51520%0.195SC..  trans-84.1122177.2-58.90000109.4F239T197-F239 HydrophobicContact CG2-CD2 3.77Å; T197-F239 HydrophobicContact CG2-CE2 4.07Å
198P95.7Very high96.1Very high5 Ų533 Ų333%0.03220%0.201CC..  trans-58.9149.7173-20.430.9000111.3F193 M196 S200 Y205 L206 F239 W240F193-P198 HydrophobicContact CB-CG 4.04Å; F193-P198 HydrophobicContact CD1-CB 4.22Å; F193-P198 HydrophobicContact CD1-CG 4.11Å; F193-P198 HydrophobicContact CD2-CB 3.99Å; F193-P198 HydrophobicContact CD2-CG 3.61Å; F193-P198 HydrophobicContact CE1-CB 4.13Å; F193-P198 HydrophobicContact CE2-CB 3.86Å; F193-P198 HydrophobicContact CE2-CG 4.02Å; F193-P198 HydrophobicContact CG-CB 4.16Å; F193-P198 HydrophobicContact CG-CG 3.66Å; F193-P198 HydrophobicContact CZ-CB 3.96Å; F193-P198 HydrophobicContact CZ-CG 4.47Å; M196-P198 WeakPolarHBondContact O-CD 3.34Å; P198-S200 PolarHBondContact O-N 3.38Å; P198-S200 VanDerWaalsContact O-N 3.16Å; P198-Y205 HydrophobicContact CB-CE1 4.27Å; P198-L206 HydrophobicContact CB-CD2 3.96Å; P198-L206 HydrophobicContact CG-CD2 4.09Å; P198-F239 HydrophobicContact CB-CE1 4.15Å; P198-F239 HydrophobicContact CB-CE2 4.25Å; P198-F239 HydrophobicContact CB-CZ 3.61Å; P198-F239 VanDerWaalsContact CD-CZ 3.5Å; P198-F239 HydrophobicContact CG-CD1 4.24Å; P198-F239 HydrophobicContact CG-CE1 3.45Å; P198-F239 VanDerWaalsContact CG-CE1 3.45Å; P198-F239 HydrophobicContact CG-CE2 4.19Å; P198-F239 HydrophobicContact CG-CZ 3.42Å; P198-F239 VanDerWaalsContact CG-CZ 3.42Å; P198-W240 HydrophobicContact CG-CH2 4.11Å; P198-W240 HydrophobicContact CG-CZ2 3.61Å
199P94.1Very high96.1Very high61 Ų6133.2 Ų33.240%0.39620%0.202SC..SBendtrans-69.4-14.1-176.627.9-35.5000114.3T142 Y205T142-P199 HydrophobicContact CG2-CB 3.95Å; T142-P199 HydrophobicContact CG2-CG 4.43Å; P199-Y205 WeakPolarHBondContact CD-OH 3.4Å; P199-Y205 HydrophobicContact CG-CE1 3.91Å; P199-Y205 HydrophobicContact CG-CE2 4.24Å; P199-Y205 WeakPolarHBondContact CG-OH 3.48Å
200S96.1Very high96.1Very high42 Ų4233 Ų3329%0.29420%0.201SC..  trans-143.9138.6175.8-179.60000110.7P198 D202 Y205 F239P198-S200 PolarHBondContact O-N 3.38Å; P198-S200 VanDerWaalsContact O-N 3.16Å; S200-D202 VanDerWaalsContact C-N 3.33Å; S200-D202 VanDerWaalsContact OG-CB 3.26Å; S200-D202 WeakPolarHBondContact OG-CB 3.38Å; S200-D202 PolarHBondContact OG-N 3.36Å; S200-D202 VanDerWaalsContact OG-N 3.13Å; S200-Y205 WeakPolarHBondContact O-CD1 3.47Å; S200-F239 WeakPolarHBondContact O-CZ 3.3Å
201S97.3Very high96.1Very high65 Ų6537.9 Ų37.946%0.45522%0.223SC..  trans-915.3170.959.20000113.2P203 Q244S201-P203 WeakPolarHBondContact O-CD 3.42Å; S201-Q244 PolarHBondContact O-NE2 3.2Å
202D98.1Very high96.3Very high77 Ų7738.3 Ų38.341%0.41223%0.227SC..  trans-62.6120.5173.7-179.5-5.5000110S200 T204 Y205 L206S200-D202 VanDerWaalsContact C-N 3.33Å; S200-D202 VanDerWaalsContact OG-CB 3.26Å; S200-D202 WeakPolarHBondContact OG-CB 3.38Å; S200-D202 PolarHBondContact OG-N 3.36Å; S200-D202 VanDerWaalsContact OG-N 3.13Å; D202-T204 PolarHBondContact O-N 3.04Å; D202-T204 VanDerWaalsContact O-N 3.12Å; D202-T204 WeakPolarHBondContact OD1-CB 3.48Å; D202-T204 PolarHBondContact OD1-N 3.41Å; D202-T204 PolarHBondContact OD1-OG1 3.43Å; D202-T204 VanDerWaalsContact OD1-OG1 3.09Å; D202-Y205 WeakPolarHBondContact O-CB 3.17Å; D202-Y205 PolarHBondContact O-N 3.13Å; D202-L206 PolarHBondContact O-N 2.87Å; D202-L206 VanDerWaalsContact O-N 3.12Å
203P98.4Very high96.9Very high52 Ų5237.9 Ų37.934%0.33822%0.224SC..Hα-helixtrans-47.6-37.4173.1-32.840.1000114S201 Y205 L206 S207 P243 A247S201-P203 WeakPolarHBondContact O-CD 3.42Å; P203-Y205 VanDerWaalsContact C-N 3.33Å; P203-Y205 PolarHBondContact O-N 3.43Å; P203-L206 PolarHBondContact O-N 2.99Å; P203-S207 WeakPolarHBondContact O-CB 3.2Å; P203-S207 PolarHBondContact O-N 2.8Å; P203-P243 HydrophobicContact CG-CB 4.4Å; P203-A247 HydrophobicContact CB-CB 3.7Å; P203-A247 WeakPolarHBondContact O-CB 3.45Å
204T98.1Very high97.1Very high102 Ų10238.3 Ų38.363%0.62623%0.226SC*.Hα-helixtrans-63.9-40.4179.5-46.50000111.6D202 A208D202-T204 PolarHBondContact O-N 3.04Å; D202-T204 VanDerWaalsContact O-N 3.12Å; D202-T204 WeakPolarHBondContact OD1-CB 3.48Å; D202-T204 PolarHBondContact OD1-N 3.41Å; D202-T204 PolarHBondContact OD1-OG1 3.43Å; D202-T204 VanDerWaalsContact OD1-OG1 3.09Å; T204-A208 WeakPolarHBondContact O-CB 3.25Å; T204-A208 PolarHBondContact O-N 2.93Å; T204-A208 VanDerWaalsContact O-N 3.1Å
205Y97.7Very high97.2Very high14 Ų1439.2 Ų39.26%0.05524%0.235CC..Hα-helixtrans-66.6-47.8176.1171.8-96.2000111.1P162 F193 P198 P199 S200 D202 P203 S207 A208 V209P162-Y205 HydrophobicContact CG-CE2 4.15Å; F193-Y205 HydrophobicContact CZ-CE1 4.41Å; P198-Y205 HydrophobicContact CB-CE1 4.27Å; P199-Y205 WeakPolarHBondContact CD-OH 3.4Å; P199-Y205 HydrophobicContact CG-CE1 3.91Å; P199-Y205 HydrophobicContact CG-CE2 4.24Å; P199-Y205 WeakPolarHBondContact CG-OH 3.48Å; S200-Y205 WeakPolarHBondContact O-CD1 3.47Å; D202-Y205 WeakPolarHBondContact O-CB 3.17Å; D202-Y205 PolarHBondContact O-N 3.13Å; P203-Y205 VanDerWaalsContact C-N 3.33Å; P203-Y205 PolarHBondContact O-N 3.43Å; Y205-S207 VanDerWaalsContact C-N 3.33Å; Y205-S207 PolarHBondContact O-N 3.41Å; Y205-A208 WeakPolarHBondContact O-CB 3.45Å; Y205-A208 PolarHBondContact O-N 2.98Å; Y205-A208 VanDerWaalsContact O-N 3.12Å; Y205-V209 HydrophobicContact CD1-CG2 4.3Å; Y205-V209 HydrophobicContact CE1-CG2 3.78Å; Y205-V209 HydrophobicContact CE2-CG2 4.4Å; Y205-V209 WeakPolarHBondContact O-CG2 3.44Å; Y205-V209 PolarHBondContact O-N 3.04Å
206L98.3Very high97.4Very high0 Ų035.9 Ų35.90%022%0.219CC..Hα-helixtrans-65.4-36.6-177.7-62.8173.2000112.5P198 D202 P203 V209 S210 F239 W240 Q244 A247P198-L206 HydrophobicContact CB-CD2 3.96Å; P198-L206 HydrophobicContact CG-CD2 4.09Å; D202-L206 PolarHBondContact O-N 2.87Å; D202-L206 VanDerWaalsContact O-N 3.12Å; P203-L206 PolarHBondContact O-N 2.99Å; L206-V209 WeakPolarHBondContact O-CB 3.32Å; L206-V209 PolarHBondContact O-N 3.45Å; L206-S210 PolarHBondContact O-N 3.09Å; L206-S210 PolarHBondContact O-OG 3.24Å; L206-F239 HydrophobicContact CD1-CE1 4.22Å; L206-F239 HydrophobicContact CD1-CZ 4.45Å; L206-F239 HydrophobicContact CD2-CE1 4.3Å; L206-F239 HydrophobicContact CD2-CZ 4.3Å; L206-W240 HydrophobicContact CD1-CH2 4.42Å; L206-W240 HydrophobicContact CD1-CZ3 3.97Å; L206-W240 HydrophobicContact CD2-CH2 3.84Å; L206-W240 HydrophobicContact CD2-CZ3 4.22Å; L206-Q244 HydrophobicContact CD1-CB 3.54Å; L206-Q244 HydrophobicContact CD1-CG 3.55Å; L206-A247 HydrophobicContact CB-CB 4.33Å
207S98.2Very high97.6Very high41 Ų4135.1 Ų35.129%0.28722%0.216SC..Hα-helixtrans-66.3-38.6172.3-171.20000112P203 Y205 V209 S210 H211 A247 G251P203-S207 WeakPolarHBondContact O-CB 3.2Å; P203-S207 PolarHBondContact O-N 2.8Å; Y205-S207 VanDerWaalsContact C-N 3.33Å; Y205-S207 PolarHBondContact O-N 3.41Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.34Å; S207-S210 PolarHBondContact O-N 3.43Å; S207-S210 PolarHBondContact O-OG 3.04Å; S207-H211 WeakPolarHBondContact O-CB 3.48Å; S207-H211 PolarHBondContact O-N 2.8Å; S207-A247 VanDerWaalsContact CA-O 3.28Å; S207-A247 WeakPolarHBondContact CA-O 3.34Å; S207-A247 WeakPolarHBondContact CB-O 3.4Å; S207-G251 WeakPolarHBondContact OG-CA 3.38Å
208A98.1Very high97.8Very high19 Ų1933.2 Ų33.216%0.15720%0.204CC..Hα-helixtrans-64.2-35.5174.800000112.5P162 R163 T204 Y205 S212P162-A208 WeakPolarHBondContact CB-O 2.96Å; P162-A208 HydrophobicContact CG-CB 4.23Å; R163-A208 HydrophobicContact CG-CB 4.2Å; T204-A208 WeakPolarHBondContact O-CB 3.25Å; T204-A208 PolarHBondContact O-N 2.93Å; T204-A208 VanDerWaalsContact O-N 3.1Å; Y205-A208 WeakPolarHBondContact O-CB 3.45Å; Y205-A208 PolarHBondContact O-N 2.98Å; Y205-A208 VanDerWaalsContact O-N 3.12Å; A208-S212 VanDerWaalsContact O-CB 3.3Å; A208-S212 WeakPolarHBondContact O-CB 3.47Å; A208-S212 PolarHBondContact O-N 2.89Å; A208-S212 PolarHBondContact O-OG 2.95Å
209V97.8Very high97.9Very high4 Ų435.9 Ų35.92%0.02423%0.226CC..Hα-helixtrans-57.4-58.5174.5173.20000110.5P162 T192 F193 Y205 L206 S207 H211 S212 V213P162-V209 HydrophobicContact CB-CG2 4.35Å; P162-V209 HydrophobicContact CG-CB 4.46Å; P162-V209 HydrophobicContact CG-CG2 3.77Å; T192-V209 HydrophobicContact CG2-CG1 4.18Å; F193-V209 HydrophobicContact CE2-CG1 3.93Å; F193-V209 HydrophobicContact CE2-CG2 3.97Å; F193-V209 HydrophobicContact CZ-CG2 4.4Å; Y205-V209 HydrophobicContact CD1-CG2 4.3Å; Y205-V209 HydrophobicContact CE1-CG2 3.78Å; Y205-V209 HydrophobicContact CE2-CG2 4.4Å; Y205-V209 WeakPolarHBondContact O-CG2 3.44Å; Y205-V209 PolarHBondContact O-N 3.04Å; L206-V209 WeakPolarHBondContact O-CB 3.32Å; L206-V209 PolarHBondContact O-N 3.45Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.34Å; V209-H211 VanDerWaalsContact C-N 3.33Å; V209-H211 PolarHBondContact O-N 3.5Å; V209-S212 PolarHBondContact O-N 2.89Å; V209-V213 WeakPolarHBondContact O-CG2 3.42Å; V209-V213 PolarHBondContact O-N 3.29Å
210S97.9Very high98.1Very high0 Ų034.9 Ų34.90%022%0.219CC..Hα-helixtrans-67.2-36.3-176.354.20000112.3L206 S207 S212 F214 L248 G251L206-S210 PolarHBondContact O-N 3.09Å; L206-S210 PolarHBondContact O-OG 3.24Å; S207-S210 PolarHBondContact O-N 3.43Å; S207-S210 PolarHBondContact O-OG 3.04Å; S210-S212 PolarHBondContact O-N 2.97Å; S210-F214 VanDerWaalsContact O-CB 3.3Å; S210-F214 WeakPolarHBondContact O-CB 3.5Å; S210-F214 PolarHBondContact O-N 3.39Å; S210-L248 WeakPolarHBondContact CB-O 3.29Å; S210-L248 PolarHBondContact OG-O 3.18Å; S210-G251 WeakPolarHBondContact OG-CA 3.34Å
211H98.3Very high98.2Very high110 Ų11033.3 Ų33.351%0.50921%0.207SC..Hα-helixtrans-58.4-45.7172.6-178.675.6000112.3S207 V209 F214 A215 G251S207-H211 WeakPolarHBondContact O-CB 3.48Å; S207-H211 PolarHBondContact O-N 2.8Å; V209-H211 VanDerWaalsContact C-N 3.33Å; V209-H211 PolarHBondContact O-N 3.5Å; H211-F214 PolarHBondContact O-N 3.42Å; H211-A215 WeakPolarHBondContact O-CB 3.35Å; H211-A215 PolarHBondContact O-N 3.4Å; H211-G251 WeakPolarHBondContact CA-O 3.3Å
212S98.3Very high98.3Very high18 Ų1834.6 Ų34.613%0.12621%0.214CC..Hα-helixtrans-75.6-37.7-173.8-53.60000112.3P162 A208 V209 S210 A215 S216P162-S212 VanDerWaalsContact O-CB 3.31Å; P162-S212 WeakPolarHBondContact O-CB 3.49Å; P162-S212 PolarHBondContact O-OG 2.9Å; A208-S212 VanDerWaalsContact O-CB 3.3Å; A208-S212 WeakPolarHBondContact O-CB 3.47Å; A208-S212 PolarHBondContact O-N 2.89Å; A208-S212 PolarHBondContact O-OG 2.95Å; V209-S212 PolarHBondContact O-N 2.89Å; S210-S212 PolarHBondContact O-N 2.97Å; S212-A215 PolarHBondContact O-N 2.88Å; S212-S216 PolarHBondContact O-N 2.92Å
213V98.1Very high98.3Very high0 Ų035.7 Ų35.70%022%0.22CC..Hα-helixtrans-56-53.2168.7170.90000109.7F167 T190 V209 A215 S216 M217 W226F167-V213 HydrophobicContact CE1-CG2 4.11Å; F167-V213 HydrophobicContact CZ-CG2 3.73Å; T190-V213 HydrophobicContact CG2-CG1 3.54Å; V209-V213 WeakPolarHBondContact O-CG2 3.42Å; V209-V213 PolarHBondContact O-N 3.29Å; V213-A215 PolarHBondContact O-N 2.99Å; V213-S216 PolarHBondContact O-N 3.49Å; V213-S216 PolarHBondContact O-OG 3.18Å; V213-M217 HydrophobicContact CG1-CE 3.75Å; V213-M217 PolarHBondContact O-N 2.83Å; V213-W226 HydrophobicContact CB-CH2 4.24Å; V213-W226 HydrophobicContact CB-CZ3 4.16Å; V213-W226 HydrophobicContact CG1-CD2 4.17Å; V213-W226 HydrophobicContact CG1-CE3 4.09Å; V213-W226 HydrophobicContact CG1-CH2 4.06Å; V213-W226 HydrophobicContact CG1-CZ2 4.07Å; V213-W226 HydrophobicContact CG1-CZ3 4.04Å
214F98.6Very high98.3Very high15 Ų1533.2 Ų33.27%0.06620%0.204CC..Hα-helixtrans-67.9-35.3-178.2-174-110.1000113.5S210 H211 S216 M217 T218 A224 W226 V252 P253 R256S210-F214 VanDerWaalsContact O-CB 3.3Å; S210-F214 WeakPolarHBondContact O-CB 3.5Å; S210-F214 PolarHBondContact O-N 3.39Å; H211-F214 PolarHBondContact O-N 3.42Å; F214-S216 VanDerWaalsContact C-N 3.32Å; F214-S216 PolarHBondContact O-N 2.78Å; F214-M217 HydrophobicContact CD2-SD 4.35Å; F214-M217 WeakPolarHBondContact O-CB 3.31Å; F214-M217 PolarHBondContact O-N 2.71Å; F214-T218 HydrophobicContact CD1-CG2 4.26Å; F214-T218 HydrophobicContact CD2-CG2 4.45Å; F214-T218 HydrophobicContact CE1-CG2 3.68Å; F214-T218 HydrophobicContact CE2-CG2 3.9Å; F214-T218 HydrophobicContact CZ-CG2 3.47Å; F214-T218 VanDerWaalsContact CZ-CG2 3.47Å; F214-T218 PolarHBondContact O-N 3.31Å; F214-T218 PolarHBondContact O-OG1 3.09Å; F214-A224 WeakPolarHBondContact CE2-O 3.34Å; F214-W226 HydrophobicContact CB-CE3 4.43Å; F214-W226 HydrophobicContact CD2-CB 4.34Å; F214-V252 HydrophobicContact CB-CG1 4.39Å; F214-V252 HydrophobicContact CB-CG2 3.75Å; F214-V252 HydrophobicContact CD1-CG1 3.95Å; F214-V252 HydrophobicContact CD2-CG1 3.82Å; F214-V252 HydrophobicContact CE1-CG1 4.17Å; F214-V252 HydrophobicContact CE2-CG1 4.05Å; F214-V252 HydrophobicContact CG-CB 4.48Å; F214-V252 HydrophobicContact CG-CG1 3.77Å; F214-V252 HydrophobicContact CG-CG2 4.06Å; F214-V252 HydrophobicContact CZ-CG1 4.23Å; F214-P253 HydrophobicContact CE1-CG 4.2Å; F214-R256 HydrophobicContact CE1-CB 4.33Å; F214-R256 HydrophobicContact CE2-CB 3.89Å; F214-R256 HydrophobicContact CZ-CB 3.54Å; F214-R256 HydrophobicContact CZ-CG 4.08Å
215A98.5Very high98.4Very high28 Ų2829.9 Ų29.923%0.23118%0.182CC..Hα-helixtrans-62.5-40.6173.900000111.2H211 S212 V213 M217 T218 A219H211-A215 WeakPolarHBondContact O-CB 3.35Å; H211-A215 PolarHBondContact O-N 3.4Å; S212-A215 PolarHBondContact O-N 2.88Å; V213-A215 PolarHBondContact O-N 2.99Å; A215-M217 VanDerWaalsContact C-N 3.27Å; A215-M217 PolarHBondContact O-N 2.61Å; A215-T218 PolarHBondContact O-N 3.34Å; A215-T218 PolarHBondContact O-OG1 3.29Å; A215-A219 WeakPolarHBondContact O-CB 3.3Å; A215-A219 PolarHBondContact O-N 2.75Å
216S98.3Very high98.4Very high1 Ų129.3 Ų29.31%0.00718%0.18CC..Hα-helixtrans-63.5-33.1174.879.70000113.1S212 V213 F214S212-S216 PolarHBondContact O-N 2.92Å; V213-S216 PolarHBondContact O-N 3.49Å; V213-S216 PolarHBondContact O-OG 3.18Å; F214-S216 VanDerWaalsContact C-N 3.32Å; F214-S216 PolarHBondContact O-N 2.78Å
217M98.7Very high98.5Very high0 Ų029.3 Ų29.30%018%0.18CC..Hα-helixtrans-69.1-51.3174.4-63.5170.6178.700111.8A123 L175 T190 V213 F214 A215 A219 V220 D221 A224 W226A123-M217 HydrophobicContact CB-CE 3.45Å; A123-M217 VanDerWaalsContact CB-CE 3.45Å; A123-M217 HydrophobicContact CB-CG 4.27Å; L175-M217 VanDerWaalsContact CD2-CA 3.48Å; L175-M217 HydrophobicContact CD2-CB 4.08Å; L175-M217 HydrophobicContact CD2-CG 4.28Å; T190-M217 HydrophobicContact CG2-CE 3.58Å; V213-M217 HydrophobicContact CG1-CE 3.75Å; V213-M217 PolarHBondContact O-N 2.83Å; F214-M217 HydrophobicContact CD2-SD 4.35Å; F214-M217 WeakPolarHBondContact O-CB 3.31Å; F214-M217 PolarHBondContact O-N 2.71Å; A215-M217 VanDerWaalsContact C-N 3.27Å; A215-M217 PolarHBondContact O-N 2.61Å; M217-A219 VanDerWaalsContact C-N 3.27Å; M217-A219 PolarHBondContact O-N 3.29Å; M217-V220 PolarHBondContact O-N 3.49Å; M217-V220 VanDerWaalsContact O-N 3.11Å; M217-D221 PolarHBondContact O-N 3.37Å; M217-A224 HydrophobicContact CB-CB 3.83Å; M217-W226 HydrophobicContact CE-CB 4.11Å; M217-W226 HydrophobicContact CE-CD2 4.32Å; M217-W226 HydrophobicContact CE-CG 3.81Å; M217-W226 HydrophobicContact SD-CB 3.84Å; M217-W226 HydrophobicContact SD-CG 4.17Å
218T98.7Very high98.4Very high43 Ų4327.6 Ų27.626%0.26417%0.167SC..Hα-helixtrans-73-17-175.251.10000114.4F214 A215 V220 D221 A224F214-T218 HydrophobicContact CD1-CG2 4.26Å; F214-T218 HydrophobicContact CD2-CG2 4.45Å; F214-T218 HydrophobicContact CE1-CG2 3.68Å; F214-T218 HydrophobicContact CE2-CG2 3.9Å; F214-T218 HydrophobicContact CZ-CG2 3.47Å; F214-T218 VanDerWaalsContact CZ-CG2 3.47Å; F214-T218 PolarHBondContact O-N 3.31Å; F214-T218 PolarHBondContact O-OG1 3.09Å; A215-T218 PolarHBondContact O-N 3.34Å; A215-T218 PolarHBondContact O-OG1 3.29Å; T218-V220 PolarHBondContact O-N 3.25Å; T218-D221 WeakPolarHBondContact CA-O 3.47Å; T218-A224 HydrophobicContact CG2-CB 4.12Å
219A98.6Very high98.4Very high61 Ų6126.9 Ų26.950%0.50416%0.16SC..THydrogen-bonded Turntrans-63.5-26.4168.400000113L168 A215 M217L168-A219 HydrophobicContact CD1-CB 4.11Å; A215-A219 WeakPolarHBondContact O-CB 3.3Å; A215-A219 PolarHBondContact O-N 2.75Å; M217-A219 VanDerWaalsContact C-N 3.27Å; M217-A219 PolarHBondContact O-N 3.29Å
220V98.8Very high98.4Very high40 Ų4026.7 Ų26.724%0.24216%0.159CC..THydrogen-bonded Turntrans-105.1-42.1178.2-179.10000111.1T172 L175 S176 V179 M217 T218T172-V220 HydrophobicContact CG2-CG2 3.73Å; L175-V220 HydrophobicContact CB-CB 4.47Å; L175-V220 HydrophobicContact CB-CG2 4.16Å; L175-V220 HydrophobicContact CD2-CB 4.11Å; L175-V220 HydrophobicContact CD2-CG2 4.5Å; L175-V220 HydrophobicContact CG-CB 4.32Å; L175-V220 HydrophobicContact CG-CG1 4.41Å; S176-V220 WeakPolarHBondContact OG-CG2 3.37Å; V179-V220 HydrophobicContact CB-CG1 4.44Å; V179-V220 HydrophobicContact CG2-CG1 4.08Å; M217-V220 PolarHBondContact O-N 3.49Å; M217-V220 VanDerWaalsContact O-N 3.11Å; T218-V220 PolarHBondContact O-N 3.25Å
221D98.8Very high98.4Very high9 Ų927.9 Ų27.95%0.04816%0.164CC..  trans-128.399.7-176.9-179.10.7000111.6H186 Y188 M217 T218 N223 A224H186-D221 WeakPolarHBondContact CA-OD2 3.32Å; H186-D221 IonicContact CE1-OD1 2.73Å; H186-D221 IonicContact CE1-OD2 3.09Å; H186-D221 IonicContact CG-OD2 3.2Å; H186-D221 VanDerWaalsContact ND1-CG 3.31Å; H186-D221 IonicContact ND1-OD1 3.66Å; H186-D221 PolarHBondContact ND1-OD1 2.78Å; H186-D221 VanDerWaalsContact ND1-OD1 3.09Å; H186-D221 IonicContact ND1-OD2 3.39Å; H186-D221 PolarHBondContact ND1-OD2 3.41Å; Y188-D221 HydrophobicContact CE2-CB 4.1Å; Y188-D221 WeakPolarHBondContact CE2-OD2 3.31Å; Y188-D221 WeakPolarHBondContact OH-CB 3.45Å; Y188-D221 PolarHBondContact OH-OD2 3.39Å; M217-D221 PolarHBondContact O-N 3.37Å; T218-D221 WeakPolarHBondContact CA-O 3.47Å; D221-N223 PolarHBondContact O-N 3.31Å; D221-N223 WeakPolarHBondContact OD1-CB 3.3Å; D221-N223 PolarHBondContact OD1-N 2.9Å; D221-A224 HydrophobicContact CB-CB 4.3Å; D221-A224 WeakPolarHBondContact O-CB 3.19Å; D221-A224 PolarHBondContact O-N 2.94Å
222P98.4Very high98.4Very high92 Ų9223 Ų2360%0.59714%0.141SC*.THydrogen-bonded Turntrans-58.6-17.9179.4-26.135.3000114.8R256P222-R256 PolarHBondContact O-NH1 3.25Å; P222-R256 PolarHBondContact O-NH2 3.11Å
223N98.6Very high98.3Very high100 Ų10022.1 Ų22.154%0.53514%0.135SC..THydrogen-bonded Turntrans-96.12.4178.4-65.5-36.8000113.5H186 D221 I225 R256H186-N223 HydrophobicContact CB-CB 4.26Å; D221-N223 PolarHBondContact O-N 3.31Å; D221-N223 WeakPolarHBondContact OD1-CB 3.3Å; D221-N223 PolarHBondContact OD1-N 2.9Å; N223-I225 PolarHBondContact O-N 3.48Å; N223-R256 VanDerWaalsContact C-NH2 3.28Å
224A98.8Very high98.2Very high0 Ų024 Ų240%014%0.144CC..  trans-50.6133.9-176.600000113.6H186 Y188 F214 M217 T218 D221 R256H186-A224 CarbonylContact O-C 3.58Å; H186-A224 WeakPolarHBondContact O-CA 3.46Å; Y188-A224 HydrophobicContact CD2-CB 3.85Å; Y188-A224 HydrophobicContact CE2-CB 3.65Å; F214-A224 WeakPolarHBondContact CE2-O 3.34Å; M217-A224 HydrophobicContact CB-CB 3.83Å; T218-A224 HydrophobicContact CG2-CB 4.12Å; D221-A224 HydrophobicContact CB-CB 4.3Å; D221-A224 WeakPolarHBondContact O-CB 3.19Å; D221-A224 PolarHBondContact O-N 2.94Å; A224-R256 VanDerWaalsContact O-CZ 3.23Å; A224-R256 PolarHBondContact O-NE 2.88Å; A224-R256 PolarHBondContact O-NH2 2.82Å
225I98.8Very high98Very high32 Ų3225.5 Ų25.516%0.16416%0.156CC..EExtended strand (participates in β ladder)trans-115.9128.7166.6-60.6174.7000107.1H186 I187 Y188 N223 R256 I258H186-I225 PolarHBondContact O-N 2.9Å; I187-I225 WeakPolarHBondContact CA-O 3.19Å; I187-I225 HydrophobicContact CG1-CB 4.25Å; Y188-I225 PolarHBondContact N-O 2.91Å; N223-I225 PolarHBondContact O-N 3.48Å; I225-R256 WeakPolarHBondContact CA-O 3.22Å; I225-I258 HydrophobicContact CG2-CD1 3.83Å; I225-I258 HydrophobicContact CG2-CG1 3.79Å
226W98.8Very high97.9Very high3 Ų325.9 Ų25.91%0.01115%0.154CC..EExtended strand (participates in β ladder)trans-88.6116.3175178.313.7000110.5Y188 T190 V213 F214 M217 M228 V252 R256 M257 I258Y188-W226 CarbonylContact O-C 3.46Å; Y188-W226 WeakPolarHBondContact O-CA 3.48Å; T190-W226 PolarHBondContact O-NE1 3.43Å; V213-W226 HydrophobicContact CB-CH2 4.24Å; V213-W226 HydrophobicContact CB-CZ3 4.16Å; V213-W226 HydrophobicContact CG1-CD2 4.17Å; V213-W226 HydrophobicContact CG1-CE3 4.09Å; V213-W226 HydrophobicContact CG1-CH2 4.06Å; V213-W226 HydrophobicContact CG1-CZ2 4.07Å; V213-W226 HydrophobicContact CG1-CZ3 4.04Å; F214-W226 HydrophobicContact CB-CE3 4.43Å; F214-W226 HydrophobicContact CD2-CB 4.34Å; M217-W226 HydrophobicContact CE-CB 4.11Å; M217-W226 HydrophobicContact CE-CD2 4.32Å; M217-W226 HydrophobicContact CE-CG 3.81Å; M217-W226 HydrophobicContact SD-CB 3.84Å; M217-W226 HydrophobicContact SD-CG 4.17Å; W226-M228 HydrophobicContact CH2-SD 4.14Å; W226-M228 HydrophobicContact CZ2-CB 4.21Å; W226-M228 HydrophobicContact CZ2-CG 3.82Å; W226-M228 HydrophobicContact CZ2-SD 3.83Å; W226-V252 HydrophobicContact CE3-CG2 3.74Å; W226-V252 HydrophobicContact CZ3-CG2 3.81Å; W226-R256 PolarHBondContact N-O 2.87Å; W226-M257 HydrophobicContact CD2-CE 3.95Å; W226-M257 HydrophobicContact CE3-CE 3.4Å; W226-M257 HydrophobicContact CH2-CE 3.97Å; W226-M257 HydrophobicContact CZ2-CE 4.5Å; W226-M257 HydrophobicContact CZ3-CE 3.4Å; W226-M257 VanDerWaalsContact CZ3-CE 3.4Å; W226-M257 CarbonylContact O-C 3.57Å; W226-M257 WeakPolarHBondContact O-CA 3.33Å; W226-I258 PolarHBondContact O-N 3.37Å
227L98.8Very high97.7Very high0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-87.3119.5166.8-171.369.3000109.4Y10 L45 V120 I187 Y188 N189 I258 L260Y10-L227 HydrophobicContact CD2-CD2 4.02Å; Y10-L227 HydrophobicContact CE2-CD2 3.58Å; L45-L227 HydrophobicContact CD2-CD2 4.43Å; V120-L227 HydrophobicContact CB-CD2 4.41Å; V120-L227 HydrophobicContact CG1-CB 4.35Å; V120-L227 HydrophobicContact CG1-CD2 3.93Å; V120-L227 HydrophobicContact CG2-CD2 3.79Å; I187-L227 HydrophobicContact CG2-CB 3.93Å; Y188-L227 PolarHBondContact O-N 3.49Å; N189-L227 VanDerWaalsContact CA-O 3.32Å; N189-L227 WeakPolarHBondContact CA-O 3.33Å; N189-L227 HydrophobicContact CB-CB 4.31Å; N189-L227 PolarHBondContact ND2-O 3.21Å; L227-I258 CarbonylContact C-O 3.46Å; L227-I258 WeakPolarHBondContact CA-O 3.17Å; L227-I258 HydrophobicContact CD1-CB 3.7Å; L227-I258 HydrophobicContact CD1-CG2 3.64Å; L227-L260 HydrophobicContact CD1-CD1 4.49Å; L227-L260 HydrophobicContact CD1-CD2 3.76Å; L227-L260 HydrophobicContact CD1-CG 3.91Å; L227-L260 HydrophobicContact CD2-CD1 4.2Å; L227-L260 HydrophobicContact CD2-CD2 4.41Å; L227-L260 HydrophobicContact CD2-CG 4.47Å; L227-L260 HydrophobicContact CG-CD1 4.17Å; L227-L260 HydrophobicContact CG-CD2 4.31Å; L227-L260 HydrophobicContact CG-CG 4.09Å
228M97.8Very high97.6Very high4 Ų436.1 Ų36.12%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-122.3140.7-175.8-171.3-169.776.500111W226 F233 L248 L249 M257 I258 V259 L260W226-M228 HydrophobicContact CH2-SD 4.14Å; W226-M228 HydrophobicContact CZ2-CB 4.21Å; W226-M228 HydrophobicContact CZ2-CG 3.82Å; W226-M228 HydrophobicContact CZ2-SD 3.83Å; M228-F233 HydrophobicContact CE-CE2 3.8Å; M228-F233 HydrophobicContact CE-CZ 3.79Å; M228-L248 HydrophobicContact CE-CD2 4.28Å; M228-L248 HydrophobicContact SD-CD2 4.05Å; M228-L249 HydrophobicContact CE-CD2 3.74Å; M228-M257 HydrophobicContact CE-SD 4.32Å; M228-M257 HydrophobicContact SD-CE 4.2Å; M228-M257 HydrophobicContact SD-SD 4.33Å; M228-I258 PolarHBondContact N-O 2.67Å; M228-V259 HydrophobicContact CE-CG1 4.26Å; M228-V259 HydrophobicContact CE-CG2 4.31Å; M228-V259 CarbonylContact O-C 3.43Å; M228-V259 WeakPolarHBondContact O-CA 3.47Å; M228-L260 PolarHBondContact O-N 2.83Å
229Q98.1Very high97.5Very high4 Ų435.3 Ų35.32%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-73.5129.1171.4-60.8-175.9-89.700110.8D191 W231 L232 L260 L262D191-Q229 WeakPolarHBondContact OD1-CB 3.43Å; D191-Q229 PolarHBondContact OD1-N 3Å; D191-Q229 PolarHBondContact OD2-OE1 2.91Å; Q229-W231 VanDerWaalsContact C-N 3.26Å; Q229-W231 PolarHBondContact O-N 3.44Å; Q229-L232 WeakPolarHBondContact O-CD2 3.14Å; Q229-L260 HydrophobicContact CG-CD1 4.45Å; Q229-L262 HydrophobicContact CG-CD1 4.36Å
230G97.8Very high97.5Very high0 Ų032.9 Ų32.90%018%0.18CC..  trans-80.1-1.1172.900000114.4L232 F233 L260G230-L232 VanDerWaalsContact C-N 3.27Å; G230-L232 PolarHBondContact O-N 3.32Å; G230-F233 WeakPolarHBondContact O-CB 3.34Å; G230-F233 WeakPolarHBondContact O-CD2 3.41Å; G230-F233 PolarHBondContact O-N 2.98Å; G230-L260 WeakPolarHBondContact CA-O 3.25Å; G230-L260 PolarHBondContact N-O 3.31Å
231W97.9Very high97.4Very high26 Ų2636.7 Ų36.710%0.09819%0.194CC..Hα-helixtrans-54.4-39.8-174.3178.7-112.8000113.4E195 Q229 F233 F234 S235 L262 F263 L286 F289E195-W231 PolarHBondContact OE1-NE1 3.46Å; Q229-W231 VanDerWaalsContact C-N 3.26Å; Q229-W231 PolarHBondContact O-N 3.44Å; W231-F233 PolarHBondContact O-N 3.2Å; W231-F233 VanDerWaalsContact O-N 3.15Å; W231-F234 HydrophobicContact CD2-CD1 4.23Å; W231-F234 AromaticContact CE3-CD1 3.69Å; W231-F234 HydrophobicContact CE3-CD1 3.69Å; W231-F234 HydrophobicContact CE3-CE1 4.35Å; W231-F234 HydrophobicContact CE3-CG 4.49Å; W231-F234 AromaticContact CH2-CD1 3.56Å; W231-F234 HydrophobicContact CH2-CD1 3.56Å; W231-F234 AromaticContact CH2-CE1 3.39Å; W231-F234 HydrophobicContact CH2-CE1 3.39Å; W231-F234 HydrophobicContact CZ2-CD1 4.09Å; W231-F234 HydrophobicContact CZ2-CE1 4.12Å; W231-F234 AromaticContact CZ3-CD1 3.33Å; W231-F234 HydrophobicContact CZ3-CD1 3.33Å; W231-F234 AromaticContact CZ3-CE1 3.53Å; W231-F234 HydrophobicContact CZ3-CE1 3.53Å; W231-F234 HydrophobicContact CZ3-CG 4.34Å; W231-F234 CarbonylContact O-C 3.59Å; W231-F234 WeakPolarHBondContact O-CA 3.4Å; W231-F234 WeakPolarHBondContact O-CB 3.36Å; W231-F234 PolarHBondContact O-N 3.34Å; W231-S235 PolarHBondContact O-N 3.01Å; W231-L262 HydrophobicContact CB-CD2 3.85Å; W231-L262 HydrophobicContact CE3-CD2 4.5Å; W231-L262 HydrophobicContact CG-CD2 4.43Å; W231-F263 HydrophobicContact CE3-CB 4.47Å; W231-F263 HydrophobicContact CZ3-CB 4.11Å; W231-F263 HydrophobicContact CZ3-CD1 4.12Å; W231-F263 HydrophobicContact CZ3-CG 4.36Å; W231-L286 HydrophobicContact CE3-CD1 4.37Å; W231-L286 HydrophobicContact CZ3-CD1 4.14Å; W231-F289 AromaticContact CH2-CE1 3.79Å; W231-F289 HydrophobicContact CH2-CE1 3.79Å; W231-F289 HydrophobicContact CH2-CZ 4.27Å; W231-F289 HydrophobicContact CZ3-CE1 4.26Å; W231-F289 HydrophobicContact CZ3-CZ 4.5Å
232L96.8Very high97.4Very high6 Ų639.8 Ų39.83%0.03122%0.215CC..Hα-helixtrans-56.4-32.1179.862.9108.3000113.4Q229 G230 F234 N236 W240 L248Q229-L232 WeakPolarHBondContact O-CD2 3.14Å; G230-L232 VanDerWaalsContact C-N 3.27Å; G230-L232 PolarHBondContact O-N 3.32Å; L232-F234 VanDerWaalsContact C-N 3.3Å; L232-F234 PolarHBondContact O-N 2.81Å; L232-N236 PolarHBondContact O-N 2.86Å; L232-W240 HydrophobicContact CD1-CD2 3.53Å; L232-W240 HydrophobicContact CD1-CE3 4.03Å; L232-W240 HydrophobicContact CD1-CG 4.06Å; L232-W240 HydrophobicContact CD1-CH2 3.86Å; L232-W240 HydrophobicContact CD1-CZ2 3.35Å; L232-W240 HydrophobicContact CD1-CZ3 4.18Å; L232-L248 HydrophobicContact CD1-CD2 4.16Å
233F97.6Very high97.4Very high0 Ų038.8 Ų38.80%021%0.208CC..Hα-helixtrans-71.9-25.1177.1-54.4-43.1000112.9M228 G230 W231 Q237 W240 I245 L248 L249 V269 Y272 F276M228-F233 HydrophobicContact CE-CE2 3.8Å; M228-F233 HydrophobicContact CE-CZ 3.79Å; G230-F233 WeakPolarHBondContact O-CB 3.34Å; G230-F233 WeakPolarHBondContact O-CD2 3.41Å; G230-F233 PolarHBondContact O-N 2.98Å; W231-F233 PolarHBondContact O-N 3.2Å; W231-F233 VanDerWaalsContact O-N 3.15Å; F233-Q237 VanDerWaalsContact O-CG 3.31Å; F233-Q237 WeakPolarHBondContact O-CG 3.47Å; F233-W240 HydrophobicContact CD1-CB 4.07Å; F233-W240 AromaticContact CD1-CD2 4Å; F233-W240 HydrophobicContact CD1-CD2 4Å; F233-W240 HydrophobicContact CD1-CE3 4.05Å; F233-W240 AromaticContact CD1-CG 3.99Å; F233-W240 HydrophobicContact CD1-CG 3.99Å; F233-W240 HydrophobicContact CE1-CD2 4.17Å; F233-W240 AromaticContact CE1-CE3 3.82Å; F233-W240 HydrophobicContact CE1-CE3 3.82Å; F233-W240 HydrophobicContact CE1-CZ3 4.23Å; F233-I245 HydrophobicContact CB-CD1 4.33Å; F233-I245 HydrophobicContact CD1-CB 4.3Å; F233-I245 HydrophobicContact CD1-CD1 4.07Å; F233-I245 HydrophobicContact CD1-CG1 3.61Å; F233-I245 HydrophobicContact CD1-CG2 4.06Å; F233-I245 HydrophobicContact CD2-CG2 4.46Å; F233-I245 HydrophobicContact CE1-CB 4.07Å; F233-I245 HydrophobicContact CE1-CG1 3.85Å; F233-I245 HydrophobicContact CE1-CG2 3.73Å; F233-I245 HydrophobicContact CE2-CG2 4.17Å; F233-I245 HydrophobicContact CG-CD1 4.29Å; F233-I245 HydrophobicContact CG-CG1 4.3Å; F233-I245 HydrophobicContact CG-CG2 4.4Å; F233-I245 HydrophobicContact CZ-CG2 3.79Å; F233-L248 HydrophobicContact CE1-CD2 3.97Å; F233-L248 HydrophobicContact CZ-CD2 3.93Å; F233-L249 HydrophobicContact CE2-CD1 4.47Å; F233-L249 HydrophobicContact CE2-CD2 4.16Å; F233-L249 HydrophobicContact CZ-CD1 4.44Å; F233-L249 HydrophobicContact CZ-CD2 3.98Å; F233-L249 HydrophobicContact CZ-CG 4.13Å; F233-V269 HydrophobicContact CB-CG1 3.82Å; F233-V269 HydrophobicContact CB-CG2 4.46Å; F233-V269 HydrophobicContact CD2-CG1 4.06Å; F233-V269 HydrophobicContact CG-CG1 4.36Å; F233-Y272 PolarHBondContact O-OH 2.86Å; F233-F276 HydrophobicContact CD2-CE1 4.18Å; F233-F276 HydrophobicContact CE2-CD1 4.45Å; F233-F276 HydrophobicContact CE2-CE1 4.33Å
234F95.4Very high97.4Very high41 Ų4135.1 Ų35.118%0.1819%0.188CC..Hα-helixtrans-87.3-48.6172.8168-96.2000111.1W231 L232 N236 F263 D267 V269W231-F234 HydrophobicContact CD2-CD1 4.23Å; W231-F234 AromaticContact CE3-CD1 3.69Å; W231-F234 HydrophobicContact CE3-CD1 3.69Å; W231-F234 HydrophobicContact CE3-CE1 4.35Å; W231-F234 HydrophobicContact CE3-CG 4.49Å; W231-F234 AromaticContact CH2-CD1 3.56Å; W231-F234 HydrophobicContact CH2-CD1 3.56Å; W231-F234 AromaticContact CH2-CE1 3.39Å; W231-F234 HydrophobicContact CH2-CE1 3.39Å; W231-F234 HydrophobicContact CZ2-CD1 4.09Å; W231-F234 HydrophobicContact CZ2-CE1 4.12Å; W231-F234 AromaticContact CZ3-CD1 3.33Å; W231-F234 HydrophobicContact CZ3-CD1 3.33Å; W231-F234 AromaticContact CZ3-CE1 3.53Å; W231-F234 HydrophobicContact CZ3-CE1 3.53Å; W231-F234 HydrophobicContact CZ3-CG 4.34Å; W231-F234 CarbonylContact O-C 3.59Å; W231-F234 WeakPolarHBondContact O-CA 3.4Å; W231-F234 WeakPolarHBondContact O-CB 3.36Å; W231-F234 PolarHBondContact O-N 3.34Å; L232-F234 VanDerWaalsContact C-N 3.3Å; L232-F234 PolarHBondContact O-N 2.81Å; F234-N236 VanDerWaalsContact C-N 3.29Å; F234-N236 PolarHBondContact O-N 3.12Å; F234-F263 HydrophobicContact CE1-CD1 4.23Å; F234-F263 HydrophobicContact CE2-CD1 4.36Å; F234-F263 HydrophobicContact CZ-CD1 4.05Å; F234-F263 HydrophobicContact CZ-CE1 4.21Å; F234-D267 HydrophobicContact CD2-CB 3.68Å; F234-D267 HydrophobicContact CE2-CB 3.52Å; F234-D267 VanDerWaalsContact CE2-OD2 3.31Å; F234-D267 WeakPolarHBondContact CE2-OD2 3.17Å; F234-V269 HydrophobicContact CB-CG2 4.31Å
235S94.8Very high97.4Very high46 Ų4635.3 Ų35.332%0.32219%0.188SC..Hα-helixtrans-68.4-25.1-170.278.60000113.7W231W231-S235 PolarHBondContact O-N 3.01Å
236N95.7Very high97.4Very high35 Ų3537.8 Ų37.819%0.18720%0.199CC..THydrogen-bonded Turntrans-140.564.8177.6-168.7-4.2000112.8L232 F234 T238 F239 W240L232-N236 PolarHBondContact O-N 2.86Å; F234-N236 VanDerWaalsContact C-N 3.29Å; F234-N236 PolarHBondContact O-N 3.12Å; N236-T238 PolarHBondContact O-N 3.1Å; N236-T238 VanDerWaalsContact O-N 3.12Å; N236-T238 PolarHBondContact OD1-OG1 3.25Å; N236-F239 PolarHBondContact O-N 2.92Å; N236-F239 VanDerWaalsContact O-N 3.13Å; N236-F239 PolarHBondContact OD1-N 3.02Å; N236-W240 PolarHBondContact O-N 3.25Å
237Q94.1Very high97.4Very high100 Ų10038.3 Ų38.347%0.46720%0.204SC..THydrogen-bonded Turntrans-58.8-21.8176.3-69.6178.63.600113.8F233F233-Q237 VanDerWaalsContact O-CG 3.31Å; F233-Q237 WeakPolarHBondContact O-CG 3.47Å
238T96.3Very high97.4Very high117 Ų11738.6 Ų38.672%0.71821%0.206SC*.THydrogen-bonded Turntrans-70.1-33.9177.467.20000112.9N236 K241N236-T238 PolarHBondContact O-N 3.1Å; N236-T238 VanDerWaalsContact O-N 3.12Å; N236-T238 PolarHBondContact OD1-OG1 3.25Å; T238-K241 VanDerWaalsContact O-CE 3.22Å; T238-K241 WeakPolarHBondContact O-CE 3.47Å
239F97.6Very high97.4Very high26 Ų2638.4 Ų38.411%0.11421%0.205CC..THydrogen-bonded Turntrans-85.3-49.8174.8-179-81.9000111T197 P198 S200 L206 N236 K241T197-F239 HydrophobicContact CG2-CD2 3.77Å; T197-F239 HydrophobicContact CG2-CE2 4.07Å; P198-F239 HydrophobicContact CB-CE1 4.15Å; P198-F239 HydrophobicContact CB-CE2 4.25Å; P198-F239 HydrophobicContact CB-CZ 3.61Å; P198-F239 VanDerWaalsContact CD-CZ 3.5Å; P198-F239 HydrophobicContact CG-CD1 4.24Å; P198-F239 HydrophobicContact CG-CE1 3.45Å; P198-F239 VanDerWaalsContact CG-CE1 3.45Å; P198-F239 HydrophobicContact CG-CE2 4.19Å; P198-F239 HydrophobicContact CG-CZ 3.42Å; P198-F239 VanDerWaalsContact CG-CZ 3.42Å; S200-F239 WeakPolarHBondContact O-CZ 3.3Å; L206-F239 HydrophobicContact CD1-CE1 4.22Å; L206-F239 HydrophobicContact CD1-CZ 4.45Å; L206-F239 HydrophobicContact CD2-CE1 4.3Å; L206-F239 HydrophobicContact CD2-CZ 4.3Å; N236-F239 PolarHBondContact O-N 2.92Å; N236-F239 VanDerWaalsContact O-N 3.13Å; N236-F239 PolarHBondContact OD1-N 3.02Å; F239-K241 VanDerWaalsContact C-N 3.32Å; F239-K241 PolarHBondContact O-N 3.34Å
240W97.8Very high97.4Very high9 Ų941.9 Ų41.93%0.03422%0.221CC..  trans-82.773.8-173.6-67.4107.2000111.9F193 P198 L206 L232 F233 N236 Q244 I245 L248F193-W240 HydrophobicContact CB-CZ2 4.49Å; P198-W240 HydrophobicContact CG-CH2 4.11Å; P198-W240 HydrophobicContact CG-CZ2 3.61Å; L206-W240 HydrophobicContact CD1-CH2 4.42Å; L206-W240 HydrophobicContact CD1-CZ3 3.97Å; L206-W240 HydrophobicContact CD2-CH2 3.84Å; L206-W240 HydrophobicContact CD2-CZ3 4.22Å; L232-W240 HydrophobicContact CD1-CD2 3.53Å; L232-W240 HydrophobicContact CD1-CE3 4.03Å; L232-W240 HydrophobicContact CD1-CG 4.06Å; L232-W240 HydrophobicContact CD1-CH2 3.86Å; L232-W240 HydrophobicContact CD1-CZ2 3.35Å; L232-W240 HydrophobicContact CD1-CZ3 4.18Å; F233-W240 HydrophobicContact CD1-CB 4.07Å; F233-W240 AromaticContact CD1-CD2 4Å; F233-W240 HydrophobicContact CD1-CD2 4Å; F233-W240 HydrophobicContact CD1-CE3 4.05Å; F233-W240 AromaticContact CD1-CG 3.99Å; F233-W240 HydrophobicContact CD1-CG 3.99Å; F233-W240 HydrophobicContact CE1-CD2 4.17Å; F233-W240 AromaticContact CE1-CE3 3.82Å; F233-W240 HydrophobicContact CE1-CE3 3.82Å; F233-W240 HydrophobicContact CE1-CZ3 4.23Å; N236-W240 PolarHBondContact O-N 3.25Å; W240-Q244 HydrophobicContact CE3-CB 3.97Å; W240-Q244 HydrophobicContact CZ3-CB 4.35Å; W240-I245 HydrophobicContact CB-CD1 4.38Å; W240-I245 HydrophobicContact CB-CG1 3.98Å; W240-I245 HydrophobicContact CE3-CG1 4.4Å; W240-I245 WeakPolarHBondContact O-CD1 3.47Å; W240-L248 HydrophobicContact CH2-CB 4.5Å; W240-L248 HydrophobicContact CH2-CD1 4.44Å; W240-L248 HydrophobicContact CH2-CD2 3.78Å; W240-L248 HydrophobicContact CH2-CG 4.47Å; W240-L248 HydrophobicContact CZ3-CB 4Å; W240-L248 HydrophobicContact CZ3-CD2 3.84Å; W240-L248 HydrophobicContact CZ3-CG 4.41Å
241K97.8Very high97.4Very high120 Ų12042.3 Ų42.352%0.52223%0.225SC..  trans-84.7168172.5-47.9176.1-179.8177.10110.4T238 F239 P243 Q244 I245T238-K241 VanDerWaalsContact O-CE 3.22Å; T238-K241 WeakPolarHBondContact O-CE 3.47Å; F239-K241 VanDerWaalsContact C-N 3.32Å; F239-K241 PolarHBondContact O-N 3.34Å; K241-P243 VanDerWaalsContact C-CD 3.5Å; K241-P243 VanDerWaalsContact O-N 3.16Å; K241-Q244 WeakPolarHBondContact O-CB 3.29Å; K241-Q244 PolarHBondContact O-N 3.46Å; K241-Q244 PolarHBondContact O-OE1 3.1Å; K241-I245 WeakPolarHBondContact O-CG1 3.34Å; K241-I245 PolarHBondContact O-N 3.2Å
242P98.4Very high97.4Very high75 Ų7541.2 Ų41.249%0.48722%0.221SC..Hα-helixtrans-49.6-45.1-174.8-28.835.4000115.1Q244 I245 Q246P242-Q244 VanDerWaalsContact C-N 3.34Å; P242-Q244 PolarHBondContact O-N 3Å; P242-I245 PolarHBondContact O-N 3.22Å; P242-Q246 VanDerWaalsContact O-CB 3.3Å; P242-Q246 WeakPolarHBondContact O-CB 3.3Å; P242-Q246 PolarHBondContact O-N 3.01Å
243P98.4Very high97.5Very high71 Ų7144.5 Ų44.546%0.46124%0.243SC..Hα-helixtrans-63.4-36.2177.9-22.334.9000113.7P203 K241 A247P203-P243 HydrophobicContact CG-CB 4.4Å; K241-P243 VanDerWaalsContact C-CD 3.5Å; K241-P243 VanDerWaalsContact O-N 3.16Å; P243-A247 WeakPolarHBondContact O-CB 3.34Å; P243-A247 PolarHBondContact O-N 2.97Å
244Q98.7Very high97.6Very high23 Ų2349.8 Ų49.811%0.10727%0.271CS..Hα-helixtrans-71.6-44.3179.6-74.166.73600111.3S201 L206 W240 K241 P242 A247 L248S201-Q244 PolarHBondContact O-NE2 3.2Å; L206-Q244 HydrophobicContact CD1-CB 3.54Å; L206-Q244 HydrophobicContact CD1-CG 3.55Å; W240-Q244 HydrophobicContact CE3-CB 3.97Å; W240-Q244 HydrophobicContact CZ3-CB 4.35Å; K241-Q244 WeakPolarHBondContact O-CB 3.29Å; K241-Q244 PolarHBondContact O-N 3.46Å; K241-Q244 PolarHBondContact O-OE1 3.1Å; P242-Q244 VanDerWaalsContact C-N 3.34Å; P242-Q244 PolarHBondContact O-N 3Å; Q244-A247 PolarHBondContact O-N 3.22Å; Q244-L248 PolarHBondContact O-N 3.39Å; Q244-L248 VanDerWaalsContact O-N 3.11Å
245I98.6Very high97.6Very high3 Ų349.6 Ų49.62%0.01528%0.281CS..Hα-helixtrans-61.1-51.4176.3-60.2177.7000109.4F233 W240 K241 P242 A247 L248 L249 T273 Y277F233-I245 HydrophobicContact CB-CD1 4.33Å; F233-I245 HydrophobicContact CD1-CB 4.3Å; F233-I245 HydrophobicContact CD1-CD1 4.07Å; F233-I245 HydrophobicContact CD1-CG1 3.61Å; F233-I245 HydrophobicContact CD1-CG2 4.06Å; F233-I245 HydrophobicContact CD2-CG2 4.46Å; F233-I245 HydrophobicContact CE1-CB 4.07Å; F233-I245 HydrophobicContact CE1-CG1 3.85Å; F233-I245 HydrophobicContact CE1-CG2 3.73Å; F233-I245 HydrophobicContact CE2-CG2 4.17Å; F233-I245 HydrophobicContact CG-CD1 4.29Å; F233-I245 HydrophobicContact CG-CG1 4.3Å; F233-I245 HydrophobicContact CG-CG2 4.4Å; F233-I245 HydrophobicContact CZ-CG2 3.79Å; W240-I245 HydrophobicContact CB-CD1 4.38Å; W240-I245 HydrophobicContact CB-CG1 3.98Å; W240-I245 HydrophobicContact CE3-CG1 4.4Å; W240-I245 WeakPolarHBondContact O-CD1 3.47Å; K241-I245 WeakPolarHBondContact O-CG1 3.34Å; K241-I245 PolarHBondContact O-N 3.2Å; P242-I245 PolarHBondContact O-N 3.22Å; I245-A247 VanDerWaalsContact C-N 3.32Å; I245-A247 PolarHBondContact O-N 3.37Å; I245-L248 PolarHBondContact O-N 3.46Å; I245-L249 HydrophobicContact CG2-CD1 3.76Å; I245-L249 HydrophobicContact CG2-CG 4.29Å; I245-L249 WeakPolarHBondContact O-CG 3.43Å; I245-L249 PolarHBondContact O-N 2.6Å; I245-T273 HydrophobicContact CD1-CG2 4.01Å; I245-T273 HydrophobicContact CG2-CG2 4.03Å; I245-Y277 HydrophobicContact CB-CE2 4.06Å; I245-Y277 HydrophobicContact CG2-CD2 4.24Å; I245-Y277 HydrophobicContact CG2-CE2 3.69Å
246Q98.4Very high97.8Very high84 Ų8450.7 Ų50.739%0.39328%0.278SS..Hα-helixtrans-60.4-42.4-178.9-170.8176.1-3.100111.8P242 L248 L249 H250 Y277P242-Q246 VanDerWaalsContact O-CB 3.3Å; P242-Q246 WeakPolarHBondContact O-CB 3.3Å; P242-Q246 PolarHBondContact O-N 3.01Å; Q246-L248 PolarHBondContact O-N 2.95Å; Q246-L249 PolarHBondContact O-N 3.06Å; Q246-H250 WeakPolarHBondContact CG-ND1 3.37Å; Q246-H250 PolarHBondContact NE2-CE1 3.26Å; Q246-H250 VanDerWaalsContact O-CB 3.3Å; Q246-H250 WeakPolarHBondContact O-CB 3.43Å; Q246-H250 PolarHBondContact O-N 3.15Å; Q246-Y277 HydrophobicContact CB-CD2 3.86Å; Q246-Y277 HydrophobicContact CB-CE2 3.95Å; Q246-Y277 HydrophobicContact CB-CG 4.4Å; Q246-Y277 HydrophobicContact CG-CD2 4.13Å; Q246-Y277 HydrophobicContact CG-CG 4.22Å
247A98.6Very high97.9Very high14 Ų1449 Ų4912%0.11627%0.269CS..Hα-helixtrans-61.9-4317800000113.2P203 L206 S207 P243 Q244 I245 G251P203-A247 HydrophobicContact CB-CB 3.7Å; P203-A247 WeakPolarHBondContact O-CB 3.45Å; L206-A247 HydrophobicContact CB-CB 4.33Å; S207-A247 VanDerWaalsContact CA-O 3.28Å; S207-A247 WeakPolarHBondContact CA-O 3.34Å; S207-A247 WeakPolarHBondContact CB-O 3.4Å; P243-A247 WeakPolarHBondContact O-CB 3.34Å; P243-A247 PolarHBondContact O-N 2.97Å; Q244-A247 PolarHBondContact O-N 3.22Å; I245-A247 VanDerWaalsContact C-N 3.32Å; I245-A247 PolarHBondContact O-N 3.37Å; A247-G251 PolarHBondContact O-N 3.23Å
248L98.4Very high98.2Very high7 Ų744.6 Ų44.64%0.03725%0.248CC..Hα-helixtrans-63-49.8175.3-174.474.2000110.7S210 M228 L232 F233 W240 Q244 I245 Q246 H250 G251S210-L248 WeakPolarHBondContact CB-O 3.29Å; S210-L248 PolarHBondContact OG-O 3.18Å; M228-L248 HydrophobicContact CE-CD2 4.28Å; M228-L248 HydrophobicContact SD-CD2 4.05Å; L232-L248 HydrophobicContact CD1-CD2 4.16Å; F233-L248 HydrophobicContact CE1-CD2 3.97Å; F233-L248 HydrophobicContact CZ-CD2 3.93Å; W240-L248 HydrophobicContact CH2-CB 4.5Å; W240-L248 HydrophobicContact CH2-CD1 4.44Å; W240-L248 HydrophobicContact CH2-CD2 3.78Å; W240-L248 HydrophobicContact CH2-CG 4.47Å; W240-L248 HydrophobicContact CZ3-CB 4Å; W240-L248 HydrophobicContact CZ3-CD2 3.84Å; W240-L248 HydrophobicContact CZ3-CG 4.41Å; Q244-L248 PolarHBondContact O-N 3.39Å; Q244-L248 VanDerWaalsContact O-N 3.11Å; I245-L248 PolarHBondContact O-N 3.46Å; Q246-L248 PolarHBondContact O-N 2.95Å; L248-H250 PolarHBondContact O-N 3.38Å; L248-G251 PolarHBondContact O-N 3.49Å
249L98.5Very high98.3Very high0 Ų039 Ų390%021%0.214CC..Hα-helixtrans-68.5-31.9-175.5-65.9-179.1000113.6M228 F233 I245 Q246 M257 V259 F276 Y277 Q279M228-L249 HydrophobicContact CE-CD2 3.74Å; F233-L249 HydrophobicContact CE2-CD1 4.47Å; F233-L249 HydrophobicContact CE2-CD2 4.16Å; F233-L249 HydrophobicContact CZ-CD1 4.44Å; F233-L249 HydrophobicContact CZ-CD2 3.98Å; F233-L249 HydrophobicContact CZ-CG 4.13Å; I245-L249 HydrophobicContact CG2-CD1 3.76Å; I245-L249 HydrophobicContact CG2-CG 4.29Å; I245-L249 WeakPolarHBondContact O-CG 3.43Å; I245-L249 PolarHBondContact O-N 2.6Å; Q246-L249 PolarHBondContact O-N 3.06Å; L249-M257 HydrophobicContact CD2-SD 3.53Å; L249-M257 VanDerWaalsContact CD2-SD 3.53Å; L249-V259 HydrophobicContact CD2-CG2 3.71Å; L249-F276 HydrophobicContact CD1-CB 4.02Å; L249-F276 HydrophobicContact CD1-CD1 4.1Å; L249-Y277 HydrophobicContact CD1-CD2 4.11Å; L249-Q279 HydrophobicContact CB-CG 4.25Å; L249-Q279 PolarHBondContact O-NE2 3.29Å
250H98.4Very high98.3Very high77 Ų7737.8 Ų37.836%0.35621%0.208SC..Hα-helixtrans-91.8-3.4-178.9-68.6174.7000114.4Q246 L248 V252 Y277Q246-H250 WeakPolarHBondContact CG-ND1 3.37Å; Q246-H250 PolarHBondContact NE2-CE1 3.26Å; Q246-H250 VanDerWaalsContact O-CB 3.3Å; Q246-H250 WeakPolarHBondContact O-CB 3.43Å; Q246-H250 PolarHBondContact O-N 3.15Å; L248-H250 PolarHBondContact O-N 3.38Å; H250-V252 PolarHBondContact O-N 3.37Å; H250-Y277 PolarHBondContact NE2-O 3.48Å
251G97.7Very high98.4Very high8 Ų837.4 Ų37.48%0.08221%0.207CC..THydrogen-bonded Turntrans-67.1-9.4165.700000113.5S207 S210 H211 A247 L248S207-G251 WeakPolarHBondContact OG-CA 3.38Å; S210-G251 WeakPolarHBondContact OG-CA 3.34Å; H211-G251 WeakPolarHBondContact CA-O 3.3Å; A247-G251 PolarHBondContact O-N 3.23Å; L248-G251 PolarHBondContact O-N 3.49Å
252V98.3Very high98.4Very high3 Ų331.9 Ų31.92%0.01818%0.183CC..SBendtrans-117139.6173.8-177.90000109.7F214 W226 H250 R256 M257 Q279F214-V252 HydrophobicContact CB-CG1 4.39Å; F214-V252 HydrophobicContact CB-CG2 3.75Å; F214-V252 HydrophobicContact CD1-CG1 3.95Å; F214-V252 HydrophobicContact CD2-CG1 3.82Å; F214-V252 HydrophobicContact CE1-CG1 4.17Å; F214-V252 HydrophobicContact CE2-CG1 4.05Å; F214-V252 HydrophobicContact CG-CB 4.48Å; F214-V252 HydrophobicContact CG-CG1 3.77Å; F214-V252 HydrophobicContact CG-CG2 4.06Å; F214-V252 HydrophobicContact CZ-CG1 4.23Å; W226-V252 HydrophobicContact CE3-CG2 3.74Å; W226-V252 HydrophobicContact CZ3-CG2 3.81Å; H250-V252 PolarHBondContact O-N 3.37Å; V252-R256 HydrophobicContact CG1-CB 3.95Å; V252-M257 HydrophobicContact CB-CB 4.41Å; V252-M257 HydrophobicContact CB-CE 4.07Å; V252-M257 HydrophobicContact CG1-CB 4.06Å; V252-M257 HydrophobicContact CG2-CE 3.66Å; V252-Q279 PolarHBondContact O-NE2 3.28Å; V252-Q279 VanDerWaalsContact O-NE2 3.09Å
253P98.4Very high98.4Very high76 Ų7628.5 Ų28.549%0.49416%0.161SC..  trans-54.5142.9175.7-25.534.6000112.5F214 G255 R256 Q279F214-P253 HydrophobicContact CE1-CG 4.2Å; P253-G255 PolarHBondContact O-N 3.17Å; P253-R256 HydrophobicContact CB-CB 4.37Å; P253-R256 HydrophobicContact CB-CG 4.05Å; P253-R256 WeakPolarHBondContact O-CB 3.5Å; P253-R256 PolarHBondContact O-N 3.1Å; P253-Q279 PolarHBondContact O-NE2 2.95Å
254L98.2Very high98.4Very high111 Ų11125.3 Ų25.358%0.58114%0.14SC*.THydrogen-bonded Turntrans-56.6132.7177.8-66-179.2000111R256 Q279L254-R256 VanDerWaalsContact C-N 3.27Å; L254-R256 PolarHBondContact O-N 2.76Å; L254-Q279 HydrophobicContact CD2-CG 4.15Å
255G97.1Very high98.3Very high37 Ų3724.4 Ų24.438%0.38114%0.136SC..THydrogen-bonded Turntrans83.4-4.4-178.900000115P253P253-G255 PolarHBondContact O-N 3.17Å
256R98.4Very high98.2Very high69 Ų6925.2 Ų25.226%0.2614%0.143SC..SBendtrans-100.52.6173.3-59.9-64.2-64.9-105.8-7.6113.2F214 P222 N223 A224 I225 W226 V252 P253 L254F214-R256 HydrophobicContact CE1-CB 4.33Å; F214-R256 HydrophobicContact CE2-CB 3.89Å; F214-R256 HydrophobicContact CZ-CB 3.54Å; F214-R256 HydrophobicContact CZ-CG 4.08Å; P222-R256 PolarHBondContact O-NH1 3.25Å; P222-R256 PolarHBondContact O-NH2 3.11Å; N223-R256 VanDerWaalsContact C-NH2 3.28Å; A224-R256 VanDerWaalsContact O-CZ 3.23Å; A224-R256 PolarHBondContact O-NE 2.88Å; A224-R256 PolarHBondContact O-NH2 2.82Å; I225-R256 WeakPolarHBondContact CA-O 3.22Å; W226-R256 PolarHBondContact N-O 2.87Å; V252-R256 HydrophobicContact CG1-CB 3.95Å; P253-R256 HydrophobicContact CB-CB 4.37Å; P253-R256 HydrophobicContact CB-CG 4.05Å; P253-R256 WeakPolarHBondContact O-CB 3.5Å; P253-R256 PolarHBondContact O-N 3.1Å; L254-R256 VanDerWaalsContact C-N 3.27Å; L254-R256 PolarHBondContact O-N 2.76Å
257M98.5Very high98Very high0 Ų023.2 Ų23.20%014%0.135CC..EExtended strand (participates in β ladder)trans-122.8144.1166.9-179.3-177-7800109.2W226 M228 L249 V252 V259 P280W226-M257 HydrophobicContact CD2-CE 3.95Å; W226-M257 HydrophobicContact CE3-CE 3.4Å; W226-M257 HydrophobicContact CH2-CE 3.97Å; W226-M257 HydrophobicContact CZ2-CE 4.5Å; W226-M257 HydrophobicContact CZ3-CE 3.4Å; W226-M257 VanDerWaalsContact CZ3-CE 3.4Å; W226-M257 CarbonylContact O-C 3.57Å; W226-M257 WeakPolarHBondContact O-CA 3.33Å; M228-M257 HydrophobicContact CE-SD 4.32Å; M228-M257 HydrophobicContact SD-CE 4.2Å; M228-M257 HydrophobicContact SD-SD 4.33Å; L249-M257 HydrophobicContact CD2-SD 3.53Å; L249-M257 VanDerWaalsContact CD2-SD 3.53Å; V252-M257 HydrophobicContact CB-CB 4.41Å; V252-M257 HydrophobicContact CB-CE 4.07Å; V252-M257 HydrophobicContact CG1-CB 4.06Å; V252-M257 HydrophobicContact CG2-CE 3.66Å; M257-V259 HydrophobicContact CG-CG2 4.26Å; M257-V259 HydrophobicContact SD-CG2 4.03Å; M257-P280 VanDerWaalsContact O-CD 3.31Å; M257-P280 WeakPolarHBondContact O-CD 3.29Å
258I98.8Very high97.9Very high6 Ų624.2 Ų24.23%0.03114%0.14CC..EExtended strand (participates in β ladder)trans-121.2123.6165.9-59.8171.9000107.1F8 I225 W226 L227 M228 P280 I282 V318F8-I258 HydrophobicContact CD2-CD1 4.29Å; F8-I258 HydrophobicContact CE2-CD1 3.69Å; F8-I258 HydrophobicContact CZ-CD1 4.24Å; I225-I258 HydrophobicContact CG2-CD1 3.83Å; I225-I258 HydrophobicContact CG2-CG1 3.79Å; W226-I258 PolarHBondContact O-N 3.37Å; L227-I258 CarbonylContact C-O 3.46Å; L227-I258 WeakPolarHBondContact CA-O 3.17Å; L227-I258 HydrophobicContact CD1-CB 3.7Å; L227-I258 HydrophobicContact CD1-CG2 3.64Å; M228-I258 PolarHBondContact N-O 2.67Å; I258-P280 CarbonylContact C-O 3.6Å; I258-P280 WeakPolarHBondContact CA-O 3.49Å; I258-P280 HydrophobicContact CG1-CB 4.24Å; I258-I282 HydrophobicContact CG2-CD1 3.93Å; I258-I282 HydrophobicContact CG2-CG1 3.78Å; I258-V318 HydrophobicContact CG2-CG2 4.23Å
259V98.8Very high97.9Very high0 Ų024 Ų240%014%0.139CC..EExtended strand (participates in β ladder)trans-93.4129.5177-171.10000109.9M228 L249 M257 D261 F276 Q279 P280 F281 I282M228-V259 HydrophobicContact CE-CG1 4.26Å; M228-V259 HydrophobicContact CE-CG2 4.31Å; M228-V259 CarbonylContact O-C 3.43Å; M228-V259 WeakPolarHBondContact O-CA 3.47Å; L249-V259 HydrophobicContact CD2-CG2 3.71Å; M257-V259 HydrophobicContact CG-CG2 4.26Å; M257-V259 HydrophobicContact SD-CG2 4.03Å; V259-D261 PolarHBondContact O-N 2.93Å; V259-F276 HydrophobicContact CB-CD1 4.07Å; V259-F276 HydrophobicContact CB-CE1 4.19Å; V259-F276 HydrophobicContact CB-CG 4.25Å; V259-F276 HydrophobicContact CB-CZ 4.45Å; V259-F276 HydrophobicContact CG1-CD1 3.8Å; V259-F276 HydrophobicContact CG1-CE1 3.51Å; V259-F276 HydrophobicContact CG1-CG 4.44Å; V259-F276 HydrophobicContact CG1-CZ 3.92Å; V259-F276 HydrophobicContact CG2-CB 4.5Å; V259-F276 HydrophobicContact CG2-CD1 4.17Å; V259-F276 HydrophobicContact CG2-CG 4.34Å; V259-Q279 HydrophobicContact CG2-CB 4.46Å; V259-P280 PolarHBondContact N-O 3.43Å; V259-F281 HydrophobicContact CB-CB 4.32Å; V259-F281 CarbonylContact O-C 3.57Å; V259-F281 WeakPolarHBondContact O-CA 3.39Å; V259-F281 VanDerWaalsContact O-CB 3.3Å; V259-F281 WeakPolarHBondContact O-CB 3.49Å; V259-I282 PolarHBondContact O-N 2.95Å
260L98.9Very high97.9Very high0 Ų024.4 Ų24.40%014%0.141CC..EExtended strand (participates in β ladder)trans-82.6107.3167.4-60.5175.3000108.1Y10 L227 M228 Q229 G230 L262 I282Y10-L260 HydrophobicContact CD1-CD2 3.97Å; Y10-L260 HydrophobicContact CD2-CD2 4.05Å; Y10-L260 HydrophobicContact CE1-CD1 3.91Å; Y10-L260 HydrophobicContact CE1-CD2 4.12Å; Y10-L260 HydrophobicContact CE2-CD1 4Å; Y10-L260 HydrophobicContact CE2-CD2 4.17Å; Y10-L260 HydrophobicContact CG-CD2 3.93Å; L227-L260 HydrophobicContact CD1-CD1 4.49Å; L227-L260 HydrophobicContact CD1-CD2 3.76Å; L227-L260 HydrophobicContact CD1-CG 3.91Å; L227-L260 HydrophobicContact CD2-CD1 4.2Å; L227-L260 HydrophobicContact CD2-CD2 4.41Å; L227-L260 HydrophobicContact CD2-CG 4.47Å; L227-L260 HydrophobicContact CG-CD1 4.17Å; L227-L260 HydrophobicContact CG-CD2 4.31Å; L227-L260 HydrophobicContact CG-CG 4.09Å; M228-L260 PolarHBondContact O-N 2.83Å; Q229-L260 HydrophobicContact CG-CD1 4.45Å; G230-L260 WeakPolarHBondContact CA-O 3.25Å; G230-L260 PolarHBondContact N-O 3.31Å; L260-L262 HydrophobicContact CB-CD1 3.89Å; L260-L262 HydrophobicContact CD1-CD1 4.19Å; L260-L262 PolarHBondContact O-N 3.13Å; L260-I282 HydrophobicContact CD2-CB 3.96Å; L260-I282 HydrophobicContact CD2-CD1 4.01Å; L260-I282 HydrophobicContact CD2-CG1 4.41Å; L260-I282 HydrophobicContact CD2-CG2 4.36Å
261D98.7Very high97.9Very high1 Ų123.8 Ų23.81%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-7486.3169.3-163.9-13.6000107.9V259 F263 A264 V269 F270 F276 F281 I282 C284V259-D261 PolarHBondContact O-N 2.93Å; D261-F263 VanDerWaalsContact C-N 3.33Å; D261-F263 PolarHBondContact O-N 3.42Å; D261-A264 HydrophobicContact CB-CB 4.09Å; D261-A264 WeakPolarHBondContact O-CB 3.14Å; D261-V269 PolarHBondContact OD1-N 3.26Å; D261-V269 PolarHBondContact OD2-N 3.36Å; D261-V269 VanDerWaalsContact OD2-N 3.08Å; D261-F270 WeakPolarHBondContact OD2-CB 3.4Å; D261-F270 VanDerWaalsContact OD2-CD1 3.28Å; D261-F270 WeakPolarHBondContact OD2-CD1 3.29Å; D261-F270 PolarHBondContact OD2-N 3.17Å; D261-F276 HydrophobicContact CB-CE2 3.87Å; D261-F276 HydrophobicContact CB-CZ 3.73Å; D261-F281 HydrophobicContact CB-CD2 4.01Å; D261-I282 PolarHBondContact N-O 3.25Å; D261-C284 VanDerWaalsContact O-CB 3.28Å; D261-C284 WeakPolarHBondContact O-CB 3.27Å; D261-C284 PolarHBondContact O-N 3.14Å
262L98Very high97.8Very high5 Ų527.5 Ų27.53%0.02616%0.155CC..THydrogen-bonded Turntrans-69.8-29.9-150.3-155.175.9000113.4Q229 W231 L260 L286 T323Q229-L262 HydrophobicContact CG-CD1 4.36Å; W231-L262 HydrophobicContact CB-CD2 3.85Å; W231-L262 HydrophobicContact CE3-CD2 4.5Å; W231-L262 HydrophobicContact CG-CD2 4.43Å; L260-L262 HydrophobicContact CB-CD1 3.89Å; L260-L262 HydrophobicContact CD1-CD1 4.19Å; L260-L262 PolarHBondContact O-N 3.13Å; L262-L286 HydrophobicContact CD2-CD1 4.15Å; L262-L286 HydrophobicContact CG-CD1 4.23Å; L262-L286 WeakPolarHBondContact O-CB 3.3Å; L262-T323 HydrophobicContact CD1-CG2 3.46Å; L262-T323 VanDerWaalsContact CD1-CG2 3.46Å; L262-T323 HydrophobicContact CG-CG2 4.2Å; L262-T323 PolarHBondContact O-OG1 3.27Å
263F97.9Very high97.8Very high4 Ų427.3 Ų27.32%0.01815%0.154CC..THydrogen-bonded Turntrans-125.638.7-174.2-170-150.1000111.9W231 F234 D261 E265 A266 D267 L286 F289 Y387 V388W231-F263 HydrophobicContact CE3-CB 4.47Å; W231-F263 HydrophobicContact CZ3-CB 4.11Å; W231-F263 HydrophobicContact CZ3-CD1 4.12Å; W231-F263 HydrophobicContact CZ3-CG 4.36Å; F234-F263 HydrophobicContact CE1-CD1 4.23Å; F234-F263 HydrophobicContact CE2-CD1 4.36Å; F234-F263 HydrophobicContact CZ-CD1 4.05Å; F234-F263 HydrophobicContact CZ-CE1 4.21Å; D261-F263 VanDerWaalsContact C-N 3.33Å; D261-F263 PolarHBondContact O-N 3.42Å; F263-E265 VanDerWaalsContact C-OE2 3.27Å; F263-E265 VanDerWaalsContact CD2-CD 3.49Å; F263-E265 VanDerWaalsContact CD2-OE1 3.27Å; F263-E265 WeakPolarHBondContact CD2-OE1 3.34Å; F263-E265 WeakPolarHBondContact CD2-OE2 3.27Å; F263-E265 VanDerWaalsContact CE2-OE1 3.24Å; F263-E265 WeakPolarHBondContact CE2-OE1 3.27Å; F263-E265 PolarHBondContact O-N 3.3Å; F263-E265 VanDerWaalsContact O-N 3.16Å; F263-A266 HydrophobicContact CD1-CB 4.17Å; F263-A266 HydrophobicContact CD2-CB 3.93Å; F263-A266 HydrophobicContact CE1-CB 3.64Å; F263-A266 HydrophobicContact CE2-CB 3.39Å; F263-A266 HydrophobicContact CG-CB 4.32Å; F263-A266 HydrophobicContact CZ-CB 3.24Å; F263-A266 PolarHBondContact O-N 3.06Å; F263-A266 VanDerWaalsContact O-N 3.11Å; F263-D267 HydrophobicContact CD1-CB 4.47Å; F263-D267 CarbonylContact O-C 3.58Å; F263-D267 PolarHBondContact O-N 3.44Å; F263-L286 HydrophobicContact CB-CB 4.28Å; F263-L286 HydrophobicContact CB-CD1 4.11Å; F263-L286 HydrophobicContact CD2-CB 3.62Å; F263-L286 HydrophobicContact CD2-CD1 4.45Å; F263-L286 HydrophobicContact CD2-CG 4.49Å; F263-L286 HydrophobicContact CE2-CB 4.36Å; F263-L286 HydrophobicContact CG-CB 4.3Å; F263-L286 HydrophobicContact CG-CD1 4.42Å; F263-F289 HydrophobicContact CD1-CZ 4.47Å; F263-F289 HydrophobicContact CD2-CZ 4.37Å; F263-F289 HydrophobicContact CE1-CZ 4.17Å; F263-F289 HydrophobicContact CE2-CE2 4.04Å; F263-F289 HydrophobicContact CE2-CZ 4.05Å; F263-F289 AromaticContact CZ-CE2 3.98Å; F263-F289 HydrophobicContact CZ-CE2 3.98Å; F263-F289 AromaticContact CZ-CZ 3.93Å; F263-F289 HydrophobicContact CZ-CZ 3.93Å; F263-Y387 WeakPolarHBondContact CZ-O 3.46Å; F263-V388 HydrophobicContact CE1-CG2 4.2Å
264A98.1Very high97.8Very high3 Ų330.5 Ų30.53%0.02516%0.162CC..THydrogen-bonded Turntrans-71.3-12.8-166.700000114D261 A266 P268 W283 C284D261-A264 HydrophobicContact CB-CB 4.09Å; D261-A264 WeakPolarHBondContact O-CB 3.14Å; A264-A266 VanDerWaalsContact C-N 3.31Å; A264-P268 HydrophobicContact CB-CB 4.17Å; A264-W283 VanDerWaalsContact CB-CD1 3.45Å; A264-W283 HydrophobicContact CB-CD2 3.88Å; A264-W283 HydrophobicContact CB-CG 3.82Å; A264-W283 HydrophobicContact CB-CZ2 4.24Å; A264-W283 VanDerWaalsContact CB-NE1 3.29Å; A264-W283 WeakPolarHBondContact O-CZ2 3.39Å; A264-W283 PolarHBondContact O-NE1 2.94Å; A264-C284 WeakPolarHBondContact CB-O 3.39Å; A264-C284 PolarHBondContact N-O 3.04Å
265E97.2Very high97.7Very high4 Ų425.2 Ų25.22%0.01914%0.135CC..THydrogen-bonded Turntrans-74.4-19.4172.784-76.9-164.400113.6F263 W283 M285 L286 N287 T298 S301 I302F263-E265 VanDerWaalsContact C-OE2 3.27Å; F263-E265 VanDerWaalsContact CD2-CD 3.49Å; F263-E265 VanDerWaalsContact CD2-OE1 3.27Å; F263-E265 WeakPolarHBondContact CD2-OE1 3.34Å; F263-E265 WeakPolarHBondContact CD2-OE2 3.27Å; F263-E265 VanDerWaalsContact CE2-OE1 3.24Å; F263-E265 WeakPolarHBondContact CE2-OE1 3.27Å; F263-E265 PolarHBondContact O-N 3.3Å; F263-E265 VanDerWaalsContact O-N 3.16Å; E265-W283 HydrophobicContact CB-CH2 3.62Å; E265-W283 HydrophobicContact CB-CZ2 3.99Å; E265-M285 HydrophobicContact CB-CG 4.45Å; E265-M285 HydrophobicContact CG-CG 4.2Å; E265-M285 WeakPolarHBondContact OE2-CA 3.43Å; E265-L286 PolarHBondContact OE1-N 3.43Å; E265-L286 PolarHBondContact OE2-N 3.49Å; E265-N287 WeakPolarHBondContact OE1-CA 3.2Å; E265-N287 PolarHBondContact OE1-N 3.39Å; E265-T298 WeakPolarHBondContact CG-OG1 3.43Å; E265-S301 VanDerWaalsContact O-CB 3.23Å; E265-S301 WeakPolarHBondContact O-CB 3.37Å; E265-S301 PolarHBondContact O-OG 2.97Å; E265-I302 HydrophobicContact CB-CG1 4.01Å; E265-I302 HydrophobicContact CG-CG1 4.42Å
266A95.9Very high97.8Very high20 Ų2023.4 Ų23.417%0.16512%0.116CC..THydrogen-bonded Turntrans-121.9-38-178.600000113F263 A264 G386F263-A266 HydrophobicContact CD1-CB 4.17Å; F263-A266 HydrophobicContact CD2-CB 3.93Å; F263-A266 HydrophobicContact CE1-CB 3.64Å; F263-A266 HydrophobicContact CE2-CB 3.39Å; F263-A266 HydrophobicContact CG-CB 4.32Å; F263-A266 HydrophobicContact CZ-CB 3.24Å; F263-A266 PolarHBondContact O-N 3.06Å; F263-A266 VanDerWaalsContact O-N 3.11Å; A264-A266 VanDerWaalsContact C-N 3.31Å; A266-G386 PolarHBondContact O-N 2.86Å
267D95.6Very high97.8Very high43 Ų4321.9 Ų21.923%0.2311%0.111CC..SBendtrans-144.585.5178.6-158.7-38.8000110.9F234 F263 V269F234-D267 HydrophobicContact CD2-CB 3.68Å; F234-D267 HydrophobicContact CE2-CB 3.52Å; F234-D267 VanDerWaalsContact CE2-OD2 3.31Å; F234-D267 WeakPolarHBondContact CE2-OD2 3.17Å; F263-D267 HydrophobicContact CD1-CB 4.47Å; F263-D267 CarbonylContact O-C 3.58Å; F263-D267 PolarHBondContact O-N 3.44Å; D267-V269 PolarHBondContact O-N 3.34Å
268P97.1Very high97.8Very high34 Ų3423.4 Ų23.422%0.22113%0.127CC..  trans-78.1111.9-174.928.4-33.5000113.3A264 F270 T271A264-P268 HydrophobicContact CB-CB 4.17Å; P268-F270 VanDerWaalsContact C-N 3.29Å; P268-F270 HydrophobicContact CB-CD1 3.62Å; P268-F270 HydrophobicContact CB-CE1 3.43Å; P268-F270 VanDerWaalsContact CB-CE1 3.43Å; P268-F270 HydrophobicContact CB-CZ 4.38Å; P268-F270 HydrophobicContact CG-CE1 4.28Å; P268-F270 PolarHBondContact O-N 3.46Å; P268-T271 HydrophobicContact CB-CG2 4.05Å; P268-T271 HydrophobicContact CG-CG2 3.73Å; P268-T271 PolarHBondContact O-N 3.05Å; P268-T271 PolarHBondContact O-OG1 2.9Å
269V97.9Very high97.8Very high2 Ų223.1 Ų23.11%0.01213%0.125CC..G310 helixtrans-66-30.1-178.7-179.40000112.4F233 F234 D261 D267 T271 Y272 T273 F276F233-V269 HydrophobicContact CB-CG1 3.82Å; F233-V269 HydrophobicContact CB-CG2 4.46Å; F233-V269 HydrophobicContact CD2-CG1 4.06Å; F233-V269 HydrophobicContact CG-CG1 4.36Å; F234-V269 HydrophobicContact CB-CG2 4.31Å; D261-V269 PolarHBondContact OD1-N 3.26Å; D261-V269 PolarHBondContact OD2-N 3.36Å; D261-V269 VanDerWaalsContact OD2-N 3.08Å; D267-V269 PolarHBondContact O-N 3.34Å; V269-T271 PolarHBondContact O-N 2.85Å; V269-Y272 HydrophobicContact CB-CE1 4.38Å; V269-Y272 HydrophobicContact CG1-CE1 4.48Å; V269-Y272 HydrophobicContact CG1-CE2 3.91Å; V269-Y272 WeakPolarHBondContact CG2-OH 3.3Å; V269-Y272 PolarHBondContact O-N 2.83Å; V269-T273 HydrophobicContact CG1-CG2 3.75Å; V269-T273 WeakPolarHBondContact O-CG2 3.33Å; V269-T273 PolarHBondContact O-N 3Å; V269-T273 PolarHBondContact O-OG1 3.42Å; V269-F276 HydrophobicContact CB-CE1 4.02Å; V269-F276 HydrophobicContact CB-CZ 3.84Å; V269-F276 HydrophobicContact CG1-CE1 3.6Å; V269-F276 HydrophobicContact CG1-CZ 3.95Å
270F98.2Very high97.8Very high9 Ų924.2 Ų24.24%0.03913%0.132CC..G310 helixtrans-56.7-27.5179.880.7-97.4000112.7D261 P268 T273 E274 S275 F276 F281 W283 A309 F312D261-F270 WeakPolarHBondContact OD2-CB 3.4Å; D261-F270 VanDerWaalsContact OD2-CD1 3.28Å; D261-F270 WeakPolarHBondContact OD2-CD1 3.29Å; D261-F270 PolarHBondContact OD2-N 3.17Å; P268-F270 VanDerWaalsContact C-N 3.29Å; P268-F270 HydrophobicContact CB-CD1 3.62Å; P268-F270 HydrophobicContact CB-CE1 3.43Å; P268-F270 VanDerWaalsContact CB-CE1 3.43Å; P268-F270 HydrophobicContact CB-CZ 4.38Å; P268-F270 HydrophobicContact CG-CE1 4.28Å; P268-F270 PolarHBondContact O-N 3.46Å; F270-T273 WeakPolarHBondContact CA-OG1 3.4Å; F270-E274 PolarHBondContact O-N 2.87Å; F270-S275 PolarHBondContact O-N 3.29Å; F270-F276 HydrophobicContact CB-CD2 4.01Å; F270-F276 HydrophobicContact CB-CE2 3.6Å; F270-F276 HydrophobicContact CB-CZ 4.43Å; F270-F281 HydrophobicContact CB-CD2 4.28Å; F270-F281 HydrophobicContact CB-CE1 4.2Å; F270-F281 HydrophobicContact CB-CE2 3.78Å; F270-F281 HydrophobicContact CB-CZ 3.73Å; F270-F281 AromaticContact CD1-CE2 3.9Å; F270-F281 HydrophobicContact CD1-CE2 3.9Å; F270-F281 HydrophobicContact CD1-CZ 4.12Å; F270-F281 HydrophobicContact CD2-CZ 4.17Å; F270-F281 AromaticContact CG-CE2 3.91Å; F270-F281 HydrophobicContact CG-CE2 3.91Å; F270-F281 AromaticContact CG-CZ 3.76Å; F270-F281 HydrophobicContact CG-CZ 3.76Å; F270-W283 AromaticContact CE1-CD1 3.86Å; F270-A309 HydrophobicContact CD1-CB 4.48Å; F270-A309 HydrophobicContact CE1-CB 3.84Å; F270-A309 HydrophobicContact CE2-CB 4.25Å; F270-A309 HydrophobicContact CZ-CB 3.73Å; F270-F312 HydrophobicContact CD2-CB 4.45Å; F270-F312 HydrophobicContact CD2-CD1 4.21Å; F270-F312 HydrophobicContact CD2-CD2 4.23Å; F270-F312 HydrophobicContact CD2-CG 4.04Å; F270-F312 HydrophobicContact CE2-CB 3.95Å; F270-F312 HydrophobicContact CE2-CD1 4.38Å; F270-F312 AromaticContact CE2-CD2 3.69Å; F270-F312 HydrophobicContact CE2-CD2 3.69Å; F270-F312 HydrophobicContact CE2-CE2 4.27Å; F270-F312 AromaticContact CE2-CG 3.75Å; F270-F312 HydrophobicContact CE2-CG 3.75Å
271T97.3Very high97.8Very high64 Ų6424.2 Ų24.239%0.39313%0.132SC..G310 helixtrans-69.2-39-173.761.20000113P268 V269P268-T271 HydrophobicContact CB-CG2 4.05Å; P268-T271 HydrophobicContact CG-CG2 3.73Å; P268-T271 PolarHBondContact O-N 3.05Å; P268-T271 PolarHBondContact O-OG1 2.9Å; V269-T271 PolarHBondContact O-N 2.85Å
272Y96.6Very high97.8Very high86 Ų8624.1 Ų24.134%0.33713%0.132SC..THydrogen-bonded Turntrans-103.60.6-178.560.8-101.1000113.7F233 V269F233-Y272 PolarHBondContact O-OH 2.86Å; V269-Y272 HydrophobicContact CB-CE1 4.38Å; V269-Y272 HydrophobicContact CG1-CE1 4.48Å; V269-Y272 HydrophobicContact CG1-CE2 3.91Å; V269-Y272 WeakPolarHBondContact CG2-OH 3.3Å; V269-Y272 PolarHBondContact O-N 2.83Å
273T98.1Very high97.8Very high0 Ų024 Ų240%013%0.131CC..THydrogen-bonded Turntrans-107.412.9171.7580000112.5I245 V269 F270 S275 F276 Y277I245-T273 HydrophobicContact CD1-CG2 4.01Å; I245-T273 HydrophobicContact CG2-CG2 4.03Å; V269-T273 HydrophobicContact CG1-CG2 3.75Å; V269-T273 WeakPolarHBondContact O-CG2 3.33Å; V269-T273 PolarHBondContact O-N 3Å; V269-T273 PolarHBondContact O-OG1 3.42Å; F270-T273 WeakPolarHBondContact CA-OG1 3.4Å; T273-S275 VanDerWaalsContact C-N 3.3Å; T273-S275 PolarHBondContact O-N 2.82Å; T273-F276 PolarHBondContact O-N 2.95Å; T273-F276 VanDerWaalsContact O-N 3.07Å; T273-F276 PolarHBondContact OG1-N 3.48Å; T273-Y277 HydrophobicContact CG2-CE2 4.32Å; T273-Y277 WeakPolarHBondContact O-CD1 3.48Å; T273-Y277 WeakPolarHBondContact O-CE1 3.43Å; T273-Y277 PolarHBondContact O-N 3.05Å
274E97.7Very high97.9Very high142 Ų14223.8 Ų23.866%0.66413%0.13SC*.THydrogen-bonded Turntrans51.849.2179.8-60.5175.9-122.900111.7F270F270-E274 PolarHBondContact O-N 2.87Å
275S98.1Very high97.9Very high0 Ų023.7 Ų23.70%013%0.129CC..THydrogen-bonded Turntrans61.352.9-171.9-162.50000112.8F270 T273 Y277 G278 F281 T316F270-S275 PolarHBondContact O-N 3.29Å; T273-S275 VanDerWaalsContact C-N 3.3Å; T273-S275 PolarHBondContact O-N 2.82Å; S275-Y277 PolarHBondContact O-N 3.34Å; S275-G278 PolarHBondContact O-N 3.29Å; S275-F281 VanDerWaalsContact OG-CE1 3.29Å; S275-F281 WeakPolarHBondContact OG-CE1 3.01Å; S275-T316 PolarHBondContact O-OG1 3.2Å; S275-T316 VanDerWaalsContact O-OG1 3.11Å; S275-T316 PolarHBondContact OG-N 3.27Å; S275-T316 PolarHBondContact OG-OG1 3.12Å
276F98.6Very high97.9Very high0 Ų023.5 Ų23.50%013%0.128CC..G310 helixtrans52.338.6178.2-63.6-82000114F233 L249 V259 D261 V269 F270 T273 G278 Q279 F281F233-F276 HydrophobicContact CD2-CE1 4.18Å; F233-F276 HydrophobicContact CE2-CD1 4.45Å; F233-F276 HydrophobicContact CE2-CE1 4.33Å; L249-F276 HydrophobicContact CD1-CB 4.02Å; L249-F276 HydrophobicContact CD1-CD1 4.1Å; V259-F276 HydrophobicContact CB-CD1 4.07Å; V259-F276 HydrophobicContact CB-CE1 4.19Å; V259-F276 HydrophobicContact CB-CG 4.25Å; V259-F276 HydrophobicContact CB-CZ 4.45Å; V259-F276 HydrophobicContact CG1-CD1 3.8Å; V259-F276 HydrophobicContact CG1-CE1 3.51Å; V259-F276 HydrophobicContact CG1-CG 4.44Å; V259-F276 HydrophobicContact CG1-CZ 3.92Å; V259-F276 HydrophobicContact CG2-CB 4.5Å; V259-F276 HydrophobicContact CG2-CD1 4.17Å; V259-F276 HydrophobicContact CG2-CG 4.34Å; D261-F276 HydrophobicContact CB-CE2 3.87Å; D261-F276 HydrophobicContact CB-CZ 3.73Å; V269-F276 HydrophobicContact CB-CE1 4.02Å; V269-F276 HydrophobicContact CB-CZ 3.84Å; V269-F276 HydrophobicContact CG1-CE1 3.6Å; V269-F276 HydrophobicContact CG1-CZ 3.95Å; F270-F276 HydrophobicContact CB-CD2 4.01Å; F270-F276 HydrophobicContact CB-CE2 3.6Å; F270-F276 HydrophobicContact CB-CZ 4.43Å; T273-F276 PolarHBondContact O-N 2.95Å; T273-F276 VanDerWaalsContact O-N 3.07Å; T273-F276 PolarHBondContact OG1-N 3.48Å; F276-G278 PolarHBondContact O-N 3.15Å; F276-Q279 HydrophobicContact CB-CB 4.37Å; F276-Q279 PolarHBondContact O-N 3.4Å; F276-F281 HydrophobicContact CD2-CB 3.38Å; F276-F281 AromaticContact CD2-CD1 3.84Å; F276-F281 HydrophobicContact CD2-CD1 3.84Å; F276-F281 HydrophobicContact CD2-CD2 4.13Å; F276-F281 AromaticContact CD2-CG 3.53Å; F276-F281 HydrophobicContact CD2-CG 3.53Å; F276-F281 HydrophobicContact CE2-CB 3.52Å; F276-F281 HydrophobicContact CE2-CD1 4.24Å; F276-F281 AromaticContact CE2-CD2 3.67Å; F276-F281 HydrophobicContact CE2-CD2 3.67Å; F276-F281 HydrophobicContact CE2-CE2 4.41Å; F276-F281 AromaticContact CE2-CG 3.55Å; F276-F281 HydrophobicContact CE2-CG 3.55Å; F276-F281 HydrophobicContact CG-CB 4.34Å
277Y98.3Very high98Very high36 Ų3622.6 Ų22.614%0.14112%0.121CC..G310 helixtrans48.737.1179.4-51.7-63.5000113.4I245 Q246 L249 H250 T273 S275I245-Y277 HydrophobicContact CB-CE2 4.06Å; I245-Y277 HydrophobicContact CG2-CD2 4.24Å; I245-Y277 HydrophobicContact CG2-CE2 3.69Å; Q246-Y277 HydrophobicContact CB-CD2 3.86Å; Q246-Y277 HydrophobicContact CB-CE2 3.95Å; Q246-Y277 HydrophobicContact CB-CG 4.4Å; Q246-Y277 HydrophobicContact CG-CD2 4.13Å; Q246-Y277 HydrophobicContact CG-CG 4.22Å; L249-Y277 HydrophobicContact CD1-CD2 4.11Å; H250-Y277 PolarHBondContact NE2-O 3.48Å; T273-Y277 HydrophobicContact CG2-CE2 4.32Å; T273-Y277 WeakPolarHBondContact O-CD1 3.48Å; T273-Y277 WeakPolarHBondContact O-CE1 3.43Å; T273-Y277 PolarHBondContact O-N 3.05Å; S275-Y277 PolarHBondContact O-N 3.34Å
278G98.1Very high98.2Very high33 Ų3320.5 Ų20.534%0.3411%0.11SC..G310 helixtrans94-5.6176.800000115.8S275 F276S275-G278 PolarHBondContact O-N 3.29Å; F276-G278 PolarHBondContact O-N 3.15Å
279Q98.6Very high98.2Very high0 Ų019 Ų190%010%0.099CC..  trans-73.1141.2170.8-70.4-68.114.100110.7L249 V252 P253 L254 V259 F276 T316L249-Q279 HydrophobicContact CB-CG 4.25Å; L249-Q279 PolarHBondContact O-NE2 3.29Å; V252-Q279 PolarHBondContact O-NE2 3.28Å; V252-Q279 VanDerWaalsContact O-NE2 3.09Å; P253-Q279 PolarHBondContact O-NE2 2.95Å; L254-Q279 HydrophobicContact CD2-CG 4.15Å; V259-Q279 HydrophobicContact CG2-CB 4.46Å; F276-Q279 HydrophobicContact CB-CB 4.37Å; F276-Q279 PolarHBondContact O-N 3.4Å; Q279-T316 WeakPolarHBondContact O-CB 2.96Å; Q279-T316 PolarHBondContact O-OG1 3.19Å
280P98.7Very high98.2Very high22 Ų2218.9 Ų18.914%0.14310%0.099CC..  trans-55.4144.1170.4-26.132.8000113M257 I258 V259 T316 V318M257-P280 VanDerWaalsContact O-CD 3.31Å; M257-P280 WeakPolarHBondContact O-CD 3.29Å; I258-P280 CarbonylContact C-O 3.6Å; I258-P280 WeakPolarHBondContact CA-O 3.49Å; I258-P280 HydrophobicContact CG1-CB 4.24Å; V259-P280 PolarHBondContact N-O 3.43Å; P280-T316 WeakPolarHBondContact CA-O 3.29Å; P280-V318 HydrophobicContact CB-CG1 3.89Å; P280-V318 HydrophobicContact CB-CG2 3.89Å
281F98.8Very high98.2Very high0 Ų018.6 Ų18.60%010%0.099CC..EExtended strand (participates in β ladder)trans-138.6158.9174.281-80.3000113.8V259 D261 F270 S275 F276 W283 A309 T316 L317 V318V259-F281 HydrophobicContact CB-CB 4.32Å; V259-F281 CarbonylContact O-C 3.57Å; V259-F281 WeakPolarHBondContact O-CA 3.39Å; V259-F281 VanDerWaalsContact O-CB 3.3Å; V259-F281 WeakPolarHBondContact O-CB 3.49Å; D261-F281 HydrophobicContact CB-CD2 4.01Å; F270-F281 HydrophobicContact CB-CD2 4.28Å; F270-F281 HydrophobicContact CB-CE1 4.2Å; F270-F281 HydrophobicContact CB-CE2 3.78Å; F270-F281 HydrophobicContact CB-CZ 3.73Å; F270-F281 AromaticContact CD1-CE2 3.9Å; F270-F281 HydrophobicContact CD1-CE2 3.9Å; F270-F281 HydrophobicContact CD1-CZ 4.12Å; F270-F281 HydrophobicContact CD2-CZ 4.17Å; F270-F281 AromaticContact CG-CE2 3.91Å; F270-F281 HydrophobicContact CG-CE2 3.91Å; F270-F281 AromaticContact CG-CZ 3.76Å; F270-F281 HydrophobicContact CG-CZ 3.76Å; S275-F281 VanDerWaalsContact OG-CE1 3.29Å; S275-F281 WeakPolarHBondContact OG-CE1 3.01Å; F276-F281 HydrophobicContact CD2-CB 3.38Å; F276-F281 AromaticContact CD2-CD1 3.84Å; F276-F281 HydrophobicContact CD2-CD1 3.84Å; F276-F281 HydrophobicContact CD2-CD2 4.13Å; F276-F281 AromaticContact CD2-CG 3.53Å; F276-F281 HydrophobicContact CD2-CG 3.53Å; F276-F281 HydrophobicContact CE2-CB 3.52Å; F276-F281 HydrophobicContact CE2-CD1 4.24Å; F276-F281 AromaticContact CE2-CD2 3.67Å; F276-F281 HydrophobicContact CE2-CD2 3.67Å; F276-F281 HydrophobicContact CE2-CE2 4.41Å; F276-F281 AromaticContact CE2-CG 3.55Å; F276-F281 HydrophobicContact CE2-CG 3.55Å; F276-F281 HydrophobicContact CG-CB 4.34Å; F281-W283 HydrophobicContact CE2-CB 4.32Å; F281-A309 HydrophobicContact CE2-CB 4.48Å; F281-A309 HydrophobicContact CZ-CB 4.19Å; F281-T316 PolarHBondContact N-O 3.23Å; F281-T316 VanDerWaalsContact N-O 3.14Å; F281-L317 HydrophobicContact CD2-CD1 4.02Å; F281-L317 HydrophobicContact CE1-CB 3.85Å; F281-L317 HydrophobicContact CE1-CD1 4.24Å; F281-L317 HydrophobicContact CE2-CD1 3.52Å; F281-L317 HydrophobicContact CZ-CB 3.91Å; F281-L317 HydrophobicContact CZ-CD1 3.65Å; F281-L317 HydrophobicContact CZ-CG 4.39Å; F281-V318 VanDerWaalsContact O-CG2 3.32Å; F281-V318 WeakPolarHBondContact O-CG2 3.35Å; F281-V318 PolarHBondContact O-N 2.88Å
282I98.9Very high98.3Very high0 Ų015.8 Ų15.80%08%0.081CC..EExtended strand (participates in β ladder)trans-113.6122.8173.2-61.5179.6000107.7F8 L43 I258 V259 L260 D261 C284 V318 G319 I320F8-I282 HydrophobicContact CB-CD1 3.88Å; F8-I282 HydrophobicContact CD2-CD1 4.43Å; F8-I282 HydrophobicContact CG-CD1 4.42Å; L43-I282 HydrophobicContact CD2-CD1 3.73Å; I258-I282 HydrophobicContact CG2-CD1 3.93Å; I258-I282 HydrophobicContact CG2-CG1 3.78Å; V259-I282 PolarHBondContact O-N 2.95Å; L260-I282 HydrophobicContact CD2-CB 3.96Å; L260-I282 HydrophobicContact CD2-CD1 4.01Å; L260-I282 HydrophobicContact CD2-CG1 4.41Å; L260-I282 HydrophobicContact CD2-CG2 4.36Å; D261-I282 PolarHBondContact N-O 3.25Å; I282-C284 PolarHBondContact O-N 3.44Å; I282-C284 PolarHBondContact O-SG 3.05Å; I282-C284 VanDerWaalsContact O-SG 3.39Å; I282-V318 HydrophobicContact CG1-CG2 4.15Å; I282-G319 WeakPolarHBondContact CA-O 3.31Å; I282-I320 VanDerWaalsContact CG2-C 3.43Å
283W98.7Very high98.4Very high2 Ų212.1 Ų12.11%0.0087%0.068CC..EExtended strand (participates in β ladder)trans-73.6114.9173.8-171.997.3000108.8A264 E265 F270 F281 M285 P306 A309 L317 G319 I320 G321 M337A264-W283 VanDerWaalsContact CB-CD1 3.45Å; A264-W283 HydrophobicContact CB-CD2 3.88Å; A264-W283 HydrophobicContact CB-CG 3.82Å; A264-W283 HydrophobicContact CB-CZ2 4.24Å; A264-W283 VanDerWaalsContact CB-NE1 3.29Å; A264-W283 WeakPolarHBondContact O-CZ2 3.39Å; A264-W283 PolarHBondContact O-NE1 2.94Å; E265-W283 HydrophobicContact CB-CH2 3.62Å; E265-W283 HydrophobicContact CB-CZ2 3.99Å; F270-W283 AromaticContact CE1-CD1 3.86Å; F281-W283 HydrophobicContact CE2-CB 4.32Å; W283-M285 HydrophobicContact CZ3-CB 4.14Å; W283-P306 HydrophobicContact CD2-CG 4.11Å; W283-P306 HydrophobicContact CE3-CG 3.73Å; W283-P306 HydrophobicContact CH2-CG 4.35Å; W283-P306 HydrophobicContact CZ3-CG 3.87Å; W283-A309 HydrophobicContact CG-CB 4.37Å; W283-L317 HydrophobicContact CB-CD1 3.7Å; W283-G319 PolarHBondContact N-O 3.43Å; W283-G319 VanDerWaalsContact N-O 3.08Å; W283-I320 CarbonylContact O-C 3.49Å; W283-I320 VanDerWaalsContact O-CA 3.22Å; W283-I320 WeakPolarHBondContact O-CA 3.43Å; W283-G321 PolarHBondContact O-N 3.05Å; W283-M337 HydrophobicContact CE3-CE 3.57Å; W283-M337 HydrophobicContact CZ3-CE 3.46Å; W283-M337 VanDerWaalsContact CZ3-CE 3.46Å; W283-M337 HydrophobicContact CZ3-SD 3.86Å
284C98.8Very high98.3Very high0 Ų012.5 Ų12.50%07%0.072CC..EExtended strand (participates in β ladder)trans-111.5142.9-176.1-56.70000112.1D261 A264 I282 G321 T323D261-C284 VanDerWaalsContact O-CB 3.28Å; D261-C284 WeakPolarHBondContact O-CB 3.27Å; D261-C284 PolarHBondContact O-N 3.14Å; A264-C284 WeakPolarHBondContact CB-O 3.39Å; A264-C284 PolarHBondContact N-O 3.04Å; I282-C284 PolarHBondContact O-N 3.44Å; I282-C284 PolarHBondContact O-SG 3.05Å; I282-C284 VanDerWaalsContact O-SG 3.39Å; C284-G321 WeakPolarHBondContact CA-O 3.24Å; C284-T323 HydrophobicContact CB-CG2 3.58Å; C284-T323 WeakPolarHBondContact CB-OG1 3.48Å
285M98.6Very high98.3Very high0 Ų06 Ų60%04%0.041CC..EExtended strand (participates in β ladder)trans-94.8113.4164.9-180-167.376.200108.9E265 W283 N287 I302 G321 M322 T323 I333 Y334 M337E265-M285 HydrophobicContact CB-CG 4.45Å; E265-M285 HydrophobicContact CG-CG 4.2Å; E265-M285 WeakPolarHBondContact OE2-CA 3.43Å; W283-M285 HydrophobicContact CZ3-CB 4.14Å; M285-N287 HydrophobicContact CE-CB 4.12Å; M285-N287 HydrophobicContact CG-CB 3.94Å; M285-N287 HydrophobicContact SD-CB 4.23Å; M285-I302 HydrophobicContact CG-CD1 4.12Å; M285-I302 HydrophobicContact CG-CG1 4.1Å; M285-I302 HydrophobicContact SD-CD1 3.45Å; M285-I302 WeakPolarHBondContact SD-CD1 3.48Å; M285-I302 HydrophobicContact SD-CG1 3.83Å; M285-I302 HydrophobicContact SD-CG2 4.21Å; M285-G321 PolarHBondContact N-O 2.83Å; M285-M322 HydrophobicContact CE-CG 4.05Å; M285-T323 PolarHBondContact O-N 3.46Å; M285-T323 PolarHBondContact O-OG1 2.68Å; M285-I333 HydrophobicContact CE-CG2 3.84Å; M285-I333 HydrophobicContact SD-CG2 3.47Å; M285-I333 WeakPolarHBondContact SD-CG2 3.22Å; M285-Y334 HydrophobicContact CE-CD1 3.63Å; M285-Y334 HydrophobicContact CE-CE1 3.69Å; M285-Y334 HydrophobicContact CE-CG 4.42Å; M285-M337 HydrophobicContact CB-CE 4.19Å; M285-M337 HydrophobicContact CB-CG 4.07Å; M285-M337 HydrophobicContact CB-SD 4.18Å; M285-M337 HydrophobicContact CE-CB 3.84Å; M285-M337 HydrophobicContact CE-CG 4.04Å; M285-M337 HydrophobicContact SD-CB 3.82Å; M285-M337 HydrophobicContact SD-CG 4.01Å
286L98.5Very high98.3Very high1 Ų16 Ų61%0.0054%0.041CC..  trans-78.2-53.2176-160.8151.5000110.5W231 L262 F263 E265 N288 F289 T323 P324W231-L286 HydrophobicContact CE3-CD1 4.37Å; W231-L286 HydrophobicContact CZ3-CD1 4.14Å; L262-L286 HydrophobicContact CD2-CD1 4.15Å; L262-L286 HydrophobicContact CG-CD1 4.23Å; L262-L286 WeakPolarHBondContact O-CB 3.3Å; F263-L286 HydrophobicContact CB-CB 4.28Å; F263-L286 HydrophobicContact CB-CD1 4.11Å; F263-L286 HydrophobicContact CD2-CB 3.62Å; F263-L286 HydrophobicContact CD2-CD1 4.45Å; F263-L286 HydrophobicContact CD2-CG 4.49Å; F263-L286 HydrophobicContact CE2-CB 4.36Å; F263-L286 HydrophobicContact CG-CB 4.3Å; F263-L286 HydrophobicContact CG-CD1 4.42Å; E265-L286 PolarHBondContact OE1-N 3.43Å; E265-L286 PolarHBondContact OE2-N 3.49Å; L286-N288 VanDerWaalsContact CD2-O 3.3Å; L286-N288 WeakPolarHBondContact CD2-O 3.43Å; L286-N288 PolarHBondContact O-N 2.73Å; L286-F289 HydrophobicContact CD1-CE1 3.97Å; L286-F289 HydrophobicContact CD1-CZ 4.03Å; L286-F289 HydrophobicContact CD2-CD1 3.81Å; L286-F289 HydrophobicContact CD2-CD2 3.84Å; L286-F289 HydrophobicContact CD2-CE1 3.5Å; L286-F289 VanDerWaalsContact CD2-CE1 3.5Å; L286-F289 HydrophobicContact CD2-CE2 3.52Å; L286-F289 HydrophobicContact CD2-CG 3.98Å; L286-F289 HydrophobicContact CD2-CZ 3.34Å; L286-F289 HydrophobicContact CG-CE1 4.39Å; L286-F289 HydrophobicContact CG-CZ 4.24Å; L286-T323 VanDerWaalsContact CA-OG1 3.32Å; L286-T323 WeakPolarHBondContact CA-OG1 3.39Å; L286-T323 PolarHBondContact N-OG1 3.02Å; L286-P324 WeakPolarHBondContact O-CA 3.37Å
287N97.9Very high98.3Very high0 Ų06 Ų60%04%0.041CC..  trans59.7-48.5177.8176.3-95.6000116.7E265 M285 F296 Y334 N389E265-N287 WeakPolarHBondContact OE1-CA 3.2Å; E265-N287 PolarHBondContact OE1-N 3.39Å; M285-N287 HydrophobicContact CE-CB 4.12Å; M285-N287 HydrophobicContact CG-CB 3.94Å; M285-N287 HydrophobicContact SD-CB 4.23Å; N287-F296 WeakPolarHBondContact ND2-CD1 3.41Å; N287-Y334 PolarHBondContact OD1-OH 3.39Å; N287-Y334 VanDerWaalsContact OD1-OH 3.13Å; N287-N389 WeakPolarHBondContact O-CB 3.39Å; N287-N389 PolarHBondContact O-ND2 3.41Å
288N98.5Very high98.3Very high0 Ų04.7 Ų4.70%04%0.037CC..  trans-120.6130.6-170.8-175.3-85.4000111.9L286 G291 N292 P324 E325 G326 Q329L286-N288 VanDerWaalsContact CD2-O 3.3Å; L286-N288 WeakPolarHBondContact CD2-O 3.43Å; L286-N288 PolarHBondContact O-N 2.73Å; N288-G291 WeakPolarHBondContact OD1-CA 3.3Å; N288-G291 PolarHBondContact OD1-N 3.24Å; N288-N292 PolarHBondContact ND2-O 2.68Å; N288-P324 HydrophobicContact CB-CB 4.11Å; N288-E325 WeakPolarHBondContact O-CB 3.22Å; N288-E325 PolarHBondContact O-N 3.17Å; N288-G326 PolarHBondContact OD1-N 2.91Å; N288-G326 PolarHBondContact OD1-O 3.01Å; N288-Q329 VanDerWaalsContact CB-NE2 3.3Å; N288-Q329 PolarHBondContact ND2-NE2 3.25Å; N288-Q329 PolarHBondContact ND2-OE1 2.99Å
289F98.3Very high98.3Very high1 Ų13.2 Ų3.20%0.0042%0.021CC..SBendtrans-113.7138.3172-61.4-95000110.6W231 F263 L286 G291 N292 E325 V388 N389 H390W231-F289 AromaticContact CH2-CE1 3.79Å; W231-F289 HydrophobicContact CH2-CE1 3.79Å; W231-F289 HydrophobicContact CH2-CZ 4.27Å; W231-F289 HydrophobicContact CZ3-CE1 4.26Å; W231-F289 HydrophobicContact CZ3-CZ 4.5Å; F263-F289 HydrophobicContact CD1-CZ 4.47Å; F263-F289 HydrophobicContact CD2-CZ 4.37Å; F263-F289 HydrophobicContact CE1-CZ 4.17Å; F263-F289 HydrophobicContact CE2-CE2 4.04Å; F263-F289 HydrophobicContact CE2-CZ 4.05Å; F263-F289 AromaticContact CZ-CE2 3.98Å; F263-F289 HydrophobicContact CZ-CE2 3.98Å; F263-F289 AromaticContact CZ-CZ 3.93Å; F263-F289 HydrophobicContact CZ-CZ 3.93Å; L286-F289 HydrophobicContact CD1-CE1 3.97Å; L286-F289 HydrophobicContact CD1-CZ 4.03Å; L286-F289 HydrophobicContact CD2-CD1 3.81Å; L286-F289 HydrophobicContact CD2-CD2 3.84Å; L286-F289 HydrophobicContact CD2-CE1 3.5Å; L286-F289 VanDerWaalsContact CD2-CE1 3.5Å; L286-F289 HydrophobicContact CD2-CE2 3.52Å; L286-F289 HydrophobicContact CD2-CG 3.98Å; L286-F289 HydrophobicContact CD2-CZ 3.34Å; L286-F289 HydrophobicContact CG-CE1 4.39Å; L286-F289 HydrophobicContact CG-CZ 4.24Å; F289-G291 PolarHBondContact O-N 2.97Å; F289-G291 VanDerWaalsContact O-N 3.14Å; F289-N292 WeakPolarHBondContact O-CB 3.46Å; F289-N292 PolarHBondContact O-N 2.96Å; F289-N292 PolarHBondContact O-ND2 3.48Å; F289-E325 WeakPolarHBondContact CA-OE2 3.46Å; F289-V388 HydrophobicContact CD1-CG1 4.27Å; F289-V388 HydrophobicContact CD2-CG1 3.86Å; F289-V388 HydrophobicContact CE1-CG1 3.97Å; F289-V388 HydrophobicContact CE2-CB 4.47Å; F289-V388 HydrophobicContact CE2-CG1 3.53Å; F289-V388 HydrophobicContact CG-CG1 4.22Å; F289-V388 HydrophobicContact CZ-CG1 3.58Å; F289-N389 HydrophobicContact CD2-CB 4.39Å; F289-H390 WeakPolarHBondContact CB-CE1 3.36Å; F289-H390 VanDerWaalsContact CB-ND1 3.26Å; F289-H390 WeakPolarHBondContact CB-ND1 3.18Å; F289-H390 AromaticContact CD1-CE1 3.75Å; F289-H390 AromaticContact CD1-NE2 3.88Å; F289-H390 AromaticContact CG-CE1 3.6Å; F289-H390 AromaticContact CG-NE2 3.89Å
290G97.9Very high98.2Very high0 Ų07.8 Ų7.80%04%0.043CC..THydrogen-bonded Turntrans67.91.3178.100000115.8N292 E325 A537 K539G290-N292 VanDerWaalsContact C-N 3.26Å; G290-E325 PolarHBondContact N-OE2 3.39Å; G290-A537 VanDerWaalsContact O-CA 3.27Å; G290-A537 WeakPolarHBondContact O-CA 3.5Å; G290-A537 VanDerWaalsContact O-CB 3.25Å; G290-A537 WeakPolarHBondContact O-CB 3.4Å; G290-K539 PolarHBondContact O-NZ 3.35Å
291G98.2Very high98.1Very high4 Ų48.8 Ų8.84%0.0415%0.05CC..THydrogen-bonded Turntrans70.224.6-166.900000112.6N288 F289 K539N288-G291 WeakPolarHBondContact OD1-CA 3.3Å; N288-G291 PolarHBondContact OD1-N 3.24Å; F289-G291 PolarHBondContact O-N 2.97Å; F289-G291 VanDerWaalsContact O-N 3.14Å; G291-K539 VanDerWaalsContact O-CD 3.23Å; G291-K539 WeakPolarHBondContact O-CD 3.37Å; G291-K539 WeakPolarHBondContact O-CE 3.47Å; G291-K539 PolarHBondContact O-NZ 3.13Å; G291-K539 VanDerWaalsContact O-NZ 3.07Å
292N98.6Very high98.1Very high4 Ų48.8 Ų8.82%0.0215%0.05CC..  trans-67.1138.2-173.1-66.3-20000111.5N288 F289 G290 N391 Y536 A537 N538N288-N292 PolarHBondContact ND2-O 2.68Å; F289-N292 WeakPolarHBondContact O-CB 3.46Å; F289-N292 PolarHBondContact O-N 2.96Å; F289-N292 PolarHBondContact O-ND2 3.48Å; G290-N292 VanDerWaalsContact C-N 3.26Å; N292-N391 HydrophobicContact CB-CB 4Å; N292-N391 PolarHBondContact ND2-N 3.45Å; N292-Y536 PolarHBondContact ND2-O 3.27Å; N292-Y536 PolarHBondContact OD1-O 3.22Å; N292-A537 WeakPolarHBondContact OD1-CA 3.42Å; N292-N538 PolarHBondContact ND2-ND2 3.12Å; N292-N538 PolarHBondContact OD1-N 2.99Å; N292-N538 VanDerWaalsContact OD1-N 3.1Å; N292-N538 PolarHBondContact OD1-ND2 2.92Å; N292-N538 PolarHBondContact OD1-O 3.48Å
293N97.8Very high98.1Very high10 Ų109.2 Ų9.25%0.0535%0.052CC..  trans-76.1159.5167.5-63.3104.6000110.5N391 Q540N293-N391 PolarHBondContact O-ND2 3.21Å; N293-Q540 HydrophobicContact CB-CB 4.04Å; N293-Q540 HydrophobicContact CB-CG 4.33Å; N293-Q540 PolarHBondContact OD1-N 3.4Å
294G96.7Very high98Very high8 Ų810.2 Ų10.28%0.0826%0.059CC..SBendtrans131.9140.6-17600000110.1F296 N330G294-F296 PolarHBondContact O-N 3.23Å; G294-N330 PolarHBondContact O-ND2 2.78Å; G294-N330 PolarHBondContact O-OD1 3.12Å
295F98.3Very high97.9Very high5 Ų510.5 Ų10.52%0.0226%0.063CC..  trans-72.6126.9173.5-71.1-19.9000110.6N330 L375 V379 Y380 W408 L414 D440 V441 Q444F295-N330 WeakPolarHBondContact CA-OD1 3.35Å; F295-L375 HydrophobicContact CD2-CD2 4.27Å; F295-L375 HydrophobicContact CE2-CD1 4.46Å; F295-L375 HydrophobicContact CE2-CD2 4.15Å; F295-V379 HydrophobicContact CB-CB 3.82Å; F295-V379 HydrophobicContact CB-CG1 4.44Å; F295-V379 HydrophobicContact CB-CG2 3.73Å; F295-V379 HydrophobicContact CD2-CG2 3.9Å; F295-V379 HydrophobicContact CG-CG2 4.17Å; F295-Y380 WeakPolarHBondContact CD1-OH 3.18Å; F295-Y380 WeakPolarHBondContact CE1-OH 3.41Å; F295-W408 WeakPolarHBondContact O-CZ2 3.24Å; F295-L414 HydrophobicContact CD2-CD1 4.19Å; F295-L414 HydrophobicContact CE2-CD1 4.28Å; F295-D440 HydrophobicContact CE1-CB 3.92Å; F295-D440 VanDerWaalsContact CE1-OD2 3.25Å; F295-D440 WeakPolarHBondContact CE1-OD2 3.5Å; F295-D440 HydrophobicContact CZ-CB 4.11Å; F295-V441 HydrophobicContact CE2-CB 4.23Å; F295-V441 HydrophobicContact CE2-CG2 3.73Å; F295-V441 HydrophobicContact CZ-CB 4.23Å; F295-V441 HydrophobicContact CZ-CG2 3.6Å; F295-Q444 HydrophobicContact CB-CG 4.23Å; F295-Q444 HydrophobicContact CD2-CB 3.83Å; F295-Q444 HydrophobicContact CD2-CG 3.69Å; F295-Q444 HydrophobicContact CE2-CB 4.02Å; F295-Q444 HydrophobicContact CE2-CG 4.35Å; F295-Q444 HydrophobicContact CG-CB 4.33Å; F295-Q444 HydrophobicContact CG-CG 4.1Å
296F98.2Very high97.9Very high1 Ų110.9 Ų10.90%0.0047%0.065CC..  trans-158.6143.6175.2172.2-95000111.4N287 G294 T298 N330 Y380 C382 Y387 N389 W408N287-F296 WeakPolarHBondContact ND2-CD1 3.41Å; G294-F296 PolarHBondContact O-N 3.23Å; F296-T298 HydrophobicContact CE1-CG2 4.33Å; F296-T298 HydrophobicContact CE2-CG2 4.42Å; F296-T298 HydrophobicContact CZ-CG2 3.73Å; F296-N330 PolarHBondContact N-OD1 3.5Å; F296-N330 PolarHBondContact O-OD1 2.92Å; F296-Y380 WeakPolarHBondContact O-CD1 3.3Å; F296-C382 HydrophobicContact CD2-CB 4.28Å; F296-C382 HydrophobicContact CE2-CB 3.63Å; F296-C382 HydrophobicContact CZ-CB 4.39Å; F296-Y387 HydrophobicContact CD2-CD1 4.28Å; F296-Y387 HydrophobicContact CD2-CE1 4.18Å; F296-Y387 AromaticContact CE2-CD1 3.47Å; F296-Y387 HydrophobicContact CE2-CD1 3.47Å; F296-Y387 VanDerWaalsContact CE2-CD1 3.47Å; F296-Y387 AromaticContact CE2-CE1 3.83Å; F296-Y387 HydrophobicContact CE2-CE1 3.83Å; F296-Y387 HydrophobicContact CE2-CG 4.47Å; F296-Y387 HydrophobicContact CZ-CD1 4.11Å; F296-N389 HydrophobicContact CB-CB 4.45Å; F296-N389 VanDerWaalsContact CB-CG 3.41Å; F296-N389 VanDerWaalsContact CB-ND2 3.28Å; F296-N389 WeakPolarHBondContact CB-ND2 3.38Å; F296-N389 VanDerWaalsContact CB-OD1 3.31Å; F296-N389 WeakPolarHBondContact CB-OD1 3.48Å; F296-N389 HydrophobicContact CD1-CB 3.45Å; F296-N389 VanDerWaalsContact CD1-CB 3.45Å; F296-N389 WeakPolarHBondContact CD1-ND2 3.29Å; F296-N389 HydrophobicContact CD2-CB 3.83Å; F296-N389 HydrophobicContact CE1-CB 3.46Å; F296-N389 VanDerWaalsContact CE1-CB 3.46Å; F296-N389 HydrophobicContact CE2-CB 3.85Å; F296-N389 HydrophobicContact CG-CB 3.63Å; F296-N389 WeakPolarHBondContact CG-ND2 3.49Å; F296-N389 VanDerWaalsContact CG-OD1 3.3Å; F296-N389 WeakPolarHBondContact CG-OD1 3.23Å; F296-N389 HydrophobicContact CZ-CB 3.66Å; F296-W408 HydrophobicContact CB-CH2 4.35Å; F296-W408 HydrophobicContact CB-CZ2 4.16Å; F296-W408 AromaticContact CD2-CH2 3.9Å; F296-W408 HydrophobicContact CD2-CH2 3.9Å; F296-W408 AromaticContact CD2-CZ2 3.65Å; F296-W408 HydrophobicContact CD2-CZ2 3.65Å; F296-W408 HydrophobicContact CG-CZ2 4.4Å
297G97.8Very high97.8Very high0 Ų011.7 Ų11.70%07%0.069CC..  trans-165.5167.6167.300000111V379 Y380 N381 C382G297-V379 PolarHBondContact N-O 3Å; G297-Y380 VanDerWaalsContact C-C 3.49Å; G297-Y380 CarbonylContact C-O 3.6Å; G297-Y380 VanDerWaalsContact CA-O 3.31Å; G297-Y380 WeakPolarHBondContact CA-O 3.44Å; G297-Y380 CarbonylContact O-C 3.56Å; G297-N381 PolarHBondContact O-N 3.41Å; G297-C382 WeakPolarHBondContact O-CB 3.44Å; G297-C382 PolarHBondContact O-N 3.29Å
298T97.9Very high97.7Very high7 Ų718 Ų184%0.04310%0.096CC..BIsolated β-bridgetrans-124.552.1171.252.70000108.3E265 F296 E300 S301 I302 Y380 C382E265-T298 WeakPolarHBondContact CG-OG1 3.43Å; F296-T298 HydrophobicContact CE1-CG2 4.33Å; F296-T298 HydrophobicContact CE2-CG2 4.42Å; F296-T298 HydrophobicContact CZ-CG2 3.73Å; T298-E300 PolarHBondContact O-N 3.45Å; T298-S301 CarbonylContact O-C 3.15Å; T298-S301 WeakPolarHBondContact O-CA 3.45Å; T298-S301 WeakPolarHBondContact O-CB 3.37Å; T298-S301 PolarHBondContact O-N 2.89Å; T298-I302 PolarHBondContact O-N 3.5Å; T298-Y380 PolarHBondContact N-O 3.05Å; T298-C382 HydrophobicContact CG2-CB 4.19Å; T298-C382 WeakPolarHBondContact CG2-O 3.24Å
299V98.2Very high97.7Very high2 Ų218 Ų181%0.01210%0.096CC..Hα-helixtrans-53.1-36.2-165.1-71.90000114.2N303 I333 L336 L349 F376 Y380 N381V299-N303 WeakPolarHBondContact O-CB 3.46Å; V299-N303 PolarHBondContact O-N 3.24Å; V299-I333 HydrophobicContact CG1-CD1 3.49Å; V299-I333 VanDerWaalsContact CG1-CD1 3.49Å; V299-L336 HydrophobicContact CB-CD2 4.23Å; V299-L336 HydrophobicContact CG1-CD2 4.1Å; V299-L349 HydrophobicContact CB-CD1 4.26Å; V299-L349 HydrophobicContact CB-CD2 4.39Å; V299-L349 HydrophobicContact CG2-CD1 4.1Å; V299-F376 HydrophobicContact CB-CE1 4.39Å; V299-F376 HydrophobicContact CG1-CD1 4.16Å; V299-F376 HydrophobicContact CG1-CE1 3.81Å; V299-F376 HydrophobicContact CG1-CE2 4.5Å; V299-F376 HydrophobicContact CG1-CZ 3.97Å; V299-F376 HydrophobicContact CG2-CD1 4.38Å; V299-Y380 WeakPolarHBondContact CG1-O 3.26Å; V299-Y380 WeakPolarHBondContact CG2-O 3.42Å; V299-Y380 PolarHBondContact N-O 2.85Å; V299-N381 HydrophobicContact CG2-CB 3.91Å
300E97.6Very high97.5Very high97 Ų9721.4 Ų21.445%0.45311%0.114SC..Hα-helixtrans-67.7-40.7175.3-72.1-69.4179.300112.7T298 S304 L349 N381T298-E300 PolarHBondContact O-N 3.45Å; E300-S304 WeakPolarHBondContact O-CB 3.27Å; E300-S304 PolarHBondContact O-N 3.43Å; E300-S304 VanDerWaalsContact O-N 3.08Å; E300-S304 PolarHBondContact O-OG 2.78Å; E300-L349 HydrophobicContact CG-CD1 4.12Å; E300-N381 VanDerWaalsContact CG-OD1 3.31Å; E300-N381 WeakPolarHBondContact CG-OD1 3.23Å
301S97Very high97.4Very high43 Ų4328.4 Ų28.430%0.30115%0.146SC..Hα-helixtrans-67.4-45176.1-167.30000111E265 T298 N303 S304 G305E265-S301 VanDerWaalsContact O-CB 3.23Å; E265-S301 WeakPolarHBondContact O-CB 3.37Å; E265-S301 PolarHBondContact O-OG 2.97Å; T298-S301 CarbonylContact O-C 3.15Å; T298-S301 WeakPolarHBondContact O-CA 3.45Å; T298-S301 WeakPolarHBondContact O-CB 3.37Å; T298-S301 PolarHBondContact O-N 2.89Å; S301-N303 PolarHBondContact O-N 2.96Å; S301-S304 PolarHBondContact O-N 3.29Å; S301-G305 VanDerWaalsContact O-CA 3.25Å; S301-G305 WeakPolarHBondContact O-CA 3.47Å; S301-G305 PolarHBondContact O-N 3.02Å
302I97.8Very high97.4Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-60.8-46.7176.4-66.2159.8000110.7E265 M285 T298 S304 P306 I333 L336 M337 L340E265-I302 HydrophobicContact CB-CG1 4.01Å; E265-I302 HydrophobicContact CG-CG1 4.42Å; M285-I302 HydrophobicContact CG-CD1 4.12Å; M285-I302 HydrophobicContact CG-CG1 4.1Å; M285-I302 HydrophobicContact SD-CD1 3.45Å; M285-I302 WeakPolarHBondContact SD-CD1 3.48Å; M285-I302 HydrophobicContact SD-CG1 3.83Å; M285-I302 HydrophobicContact SD-CG2 4.21Å; T298-I302 PolarHBondContact O-N 3.5Å; I302-S304 VanDerWaalsContact C-N 3.33Å; I302-S304 PolarHBondContact O-N 2.93Å; I302-P306 WeakPolarHBondContact O-CD 3.31Å; I302-I333 HydrophobicContact CD1-CG2 3.71Å; I302-L336 HydrophobicContact CG2-CD2 4.19Å; I302-L336 HydrophobicContact CG2-CG 4.32Å; I302-M337 HydrophobicContact CG2-CB 4.26Å; I302-M337 HydrophobicContact CG2-SD 3.97Å; I302-L340 HydrophobicContact CG2-CD1 3.88Å; I302-L340 WeakPolarHBondContact O-CD1 3.25Å
303N98.3Very high97.3Very high8 Ų835.1 Ų35.14%0.04318%0.184CC..Hα-helixtrans-66.2-31.7-177.9-171.337.7000113.5V299 S301 F307 P346 V347 L349V299-N303 WeakPolarHBondContact O-CB 3.46Å; V299-N303 PolarHBondContact O-N 3.24Å; S301-N303 PolarHBondContact O-N 2.96Å; N303-F307 VanDerWaalsContact O-CD2 3.29Å; N303-F307 WeakPolarHBondContact O-CD2 3.28Å; N303-F307 VanDerWaalsContact O-CE2 3.26Å; N303-F307 WeakPolarHBondContact O-CE2 3.36Å; N303-P346 WeakPolarHBondContact O-CB 3.4Å; N303-P346 WeakPolarHBondContact OD1-CA 3.05Å; N303-V347 PolarHBondContact ND2-O 3.08Å; N303-V347 VanDerWaalsContact OD1-CG2 3.3Å; N303-V347 WeakPolarHBondContact OD1-CG2 3.24Å; N303-V347 PolarHBondContact OD1-N 2.99Å; N303-L349 HydrophobicContact CB-CD1 4.24Å; N303-L349 HydrophobicContact CB-CD2 3.91Å; N303-L349 HydrophobicContact CB-CG 4.33Å
304S97.3Very high97.3Very high23 Ų2342 Ų4216%0.16122%0.221CC..Hα-helixtrans-103.1-25.8-176.767.10000114.7E300 S301 I302 F307 K308E300-S304 WeakPolarHBondContact O-CB 3.27Å; E300-S304 PolarHBondContact O-N 3.43Å; E300-S304 VanDerWaalsContact O-N 3.08Å; E300-S304 PolarHBondContact O-OG 2.78Å; S301-S304 PolarHBondContact O-N 3.29Å; I302-S304 VanDerWaalsContact C-N 3.33Å; I302-S304 PolarHBondContact O-N 2.93Å; S304-F307 PolarHBondContact O-N 3.48Å; S304-K308 WeakPolarHBondContact O-CG 3.5Å; S304-K308 PolarHBondContact O-N 2.79Å; S304-K308 PolarHBondContact OG-NZ 3.4Å
305G97.4Very high97.3Very high7 Ų743.4 Ų43.47%0.07223%0.229CC..Hα-helixtrans-58.3-54.8-170.300000114.3S301 F307 K308 A309S301-G305 VanDerWaalsContact O-CA 3.25Å; S301-G305 WeakPolarHBondContact O-CA 3.47Å; S301-G305 PolarHBondContact O-N 3.02Å; G305-F307 PolarHBondContact O-N 3.44Å; G305-K308 WeakPolarHBondContact O-CB 3.45Å; G305-K308 PolarHBondContact O-N 3.4Å; G305-K308 VanDerWaalsContact O-N 3.08Å; G305-A309 PolarHBondContact O-N 3.04Å
306P97.3Very high97.3Very high8 Ų844.7 Ų44.75%0.05224%0.238CC..Hα-helixtrans-54.9-39.1178.5-28.835.9000113.5W283 I302 A309 L310 I320W283-P306 HydrophobicContact CD2-CG 4.11Å; W283-P306 HydrophobicContact CE3-CG 3.73Å; W283-P306 HydrophobicContact CH2-CG 4.35Å; W283-P306 HydrophobicContact CZ3-CG 3.87Å; I302-P306 WeakPolarHBondContact O-CD 3.31Å; P306-A309 PolarHBondContact O-N 2.85Å; P306-L310 WeakPolarHBondContact O-CB 3.45Å; P306-L310 PolarHBondContact O-N 2.97Å; P306-I320 HydrophobicContact CB-CG2 3.93Å; P306-I320 HydrophobicContact CG-CG2 4.33Å
307F96.6Very high97.3Very high18 Ų1846.2 Ų46.28%0.07925%0.246CC..Hα-helixtrans-74.5-35.2179.7-52.8-73.8000112N303 S304 G305 L310 H311 L340 R343 K344 E345 P346N303-F307 VanDerWaalsContact O-CD2 3.29Å; N303-F307 WeakPolarHBondContact O-CD2 3.28Å; N303-F307 VanDerWaalsContact O-CE2 3.26Å; N303-F307 WeakPolarHBondContact O-CE2 3.36Å; S304-F307 PolarHBondContact O-N 3.48Å; G305-F307 PolarHBondContact O-N 3.44Å; F307-L310 PolarHBondContact O-N 3Å; F307-H311 PolarHBondContact O-N 2.9Å; F307-H311 VanDerWaalsContact O-N 3.15Å; F307-H311 PolarHBondContact O-ND1 2.9Å; F307-L340 HydrophobicContact CE2-CD2 4.13Å; F307-L340 HydrophobicContact CZ-CD2 4.36Å; F307-R343 HydrophobicContact CZ-CB 4.12Å; F307-K344 WeakPolarHBondContact CD1-O 3.4Å; F307-K344 WeakPolarHBondContact CE1-O 3.36Å; F307-E345 VanDerWaalsContact CE1-N 3.32Å; F307-E345 WeakPolarHBondContact CZ-O 3.38Å; F307-P346 HydrophobicContact CD2-CB 4.42Å; F307-P346 HydrophobicContact CD2-CG 3.59Å; F307-P346 HydrophobicContact CE2-CB 4.33Å; F307-P346 HydrophobicContact CE2-CG 3.94Å; F307-P346 HydrophobicContact CG-CG 4.3Å
308K96.6Very high97.3Very high133 Ų13347.7 Ų47.758%0.57826%0.255SS*.Hα-helixtrans-63.5-43.3171.4-71.2170.5-179.41620111.1S304 G305 L310 H311 F312S304-K308 WeakPolarHBondContact O-CG 3.5Å; S304-K308 PolarHBondContact O-N 2.79Å; S304-K308 PolarHBondContact OG-NZ 3.4Å; G305-K308 WeakPolarHBondContact O-CB 3.45Å; G305-K308 PolarHBondContact O-N 3.4Å; G305-K308 VanDerWaalsContact O-N 3.08Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-L310 PolarHBondContact O-N 3.07Å; K308-H311 PolarHBondContact O-N 3.14Å; K308-F312 PolarHBondContact O-N 3.05Å; K308-F312 VanDerWaalsContact O-N 3.08Å
309A97.3Very high97.3Very high0 Ų047.4 Ų47.40%025%0.253CS..Hα-helixtrans-62.7-40.2175.900000111.9F270 F281 W283 G305 P306 H311 F312 S315 L317F270-A309 HydrophobicContact CD1-CB 4.48Å; F270-A309 HydrophobicContact CE1-CB 3.84Å; F270-A309 HydrophobicContact CE2-CB 4.25Å; F270-A309 HydrophobicContact CZ-CB 3.73Å; F281-A309 HydrophobicContact CE2-CB 4.48Å; F281-A309 HydrophobicContact CZ-CB 4.19Å; W283-A309 HydrophobicContact CG-CB 4.37Å; G305-A309 PolarHBondContact O-N 3.04Å; P306-A309 PolarHBondContact O-N 2.85Å; A309-H311 PolarHBondContact O-N 2.69Å; A309-F312 WeakPolarHBondContact O-CB 3.27Å; A309-F312 PolarHBondContact O-N 3.11Å; A309-S315 VanDerWaalsContact O-CB 3.25Å; A309-S315 WeakPolarHBondContact O-CB 3.46Å; A309-S315 PolarHBondContact O-OG 2.97Å; A309-L317 HydrophobicContact CB-CD1 4.37Å; A309-L317 HydrophobicContact CB-CD2 4.15Å
310L95.6Very high97.3Very high71 Ų7147.7 Ų47.737%0.37225%0.254SS..Hα-helixtrans-62.8-39.4177.2-178.264.4000112.7V5 P306 F307 K308 L317V5-L310 HydrophobicContact CG1-CD2 4.17Å; P306-L310 WeakPolarHBondContact O-CB 3.45Å; P306-L310 PolarHBondContact O-N 2.97Å; F307-L310 PolarHBondContact O-N 3Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-L310 PolarHBondContact O-N 3.07Å; L310-L317 HydrophobicContact CB-CD2 3.94Å; L310-L317 HydrophobicContact CD1-CD2 4.3Å
311H95.9Very high97.3Very high148 Ų14843.2 Ų43.269%0.68523%0.234SC*.THydrogen-bonded Turntrans-91.94.5-179-61.995.7000113.6F307 K308 A309F307-H311 PolarHBondContact O-N 2.9Å; F307-H311 VanDerWaalsContact O-N 3.15Å; F307-H311 PolarHBondContact O-ND1 2.9Å; K308-H311 PolarHBondContact O-N 3.14Å; A309-H311 PolarHBondContact O-N 2.69Å
312F97.3Very high97.4Very high54 Ų5441.4 Ų41.424%0.23722%0.221CC..SBendtrans-62.7142.2176.2-170.7-98.4000110.4F270 K308 A309 N314 S315F270-F312 HydrophobicContact CD2-CB 4.45Å; F270-F312 HydrophobicContact CD2-CD1 4.21Å; F270-F312 HydrophobicContact CD2-CD2 4.23Å; F270-F312 HydrophobicContact CD2-CG 4.04Å; F270-F312 HydrophobicContact CE2-CB 3.95Å; F270-F312 HydrophobicContact CE2-CD1 4.38Å; F270-F312 AromaticContact CE2-CD2 3.69Å; F270-F312 HydrophobicContact CE2-CD2 3.69Å; F270-F312 HydrophobicContact CE2-CE2 4.27Å; F270-F312 AromaticContact CE2-CG 3.75Å; F270-F312 HydrophobicContact CE2-CG 3.75Å; K308-F312 PolarHBondContact O-N 3.05Å; K308-F312 VanDerWaalsContact O-N 3.08Å; A309-F312 WeakPolarHBondContact O-CB 3.27Å; A309-F312 PolarHBondContact O-N 3.11Å; F312-N314 PolarHBondContact O-N 2.99Å; F312-S315 VanDerWaalsContact O-CB 3.26Å; F312-S315 WeakPolarHBondContact O-CB 3.3Å; F312-S315 PolarHBondContact O-N 3.1Å
313P97.6Very high97.4Very high95 Ų9541.4 Ų41.462%0.61722%0.221SC*.THydrogen-bonded Turntrans-53.7127.8179.1-27.135.7000112.1S315P313-S315 PolarHBondContact O-N 3.36Å
314N96.2Very high97.4Very high154 Ų15441 Ų4182%0.82422%0.219SC*.THydrogen-bonded Turntrans54.530.6-176.8-54.2-40000114.3F312 T316F312-N314 PolarHBondContact O-N 2.99Å; N314-T316 PolarHBondContact O-N 3.48Å
315S97.7Very high97.5Very high37 Ų3740.4 Ų40.426%0.25921%0.214SC..  trans-52.4130.4-179.9-174.60000112.3A309 F312 P313 L317A309-S315 VanDerWaalsContact O-CB 3.25Å; A309-S315 WeakPolarHBondContact O-CB 3.46Å; A309-S315 PolarHBondContact O-OG 2.97Å; F312-S315 VanDerWaalsContact O-CB 3.26Å; F312-S315 WeakPolarHBondContact O-CB 3.3Å; F312-S315 PolarHBondContact O-N 3.1Å; P313-S315 PolarHBondContact O-N 3.36Å; S315-L317 WeakPolarHBondContact OG-CB 3.4Å; S315-L317 PolarHBondContact OG-N 3.17Å
316T98Very high97.6Very high32 Ų3240.1 Ų40.120%0.19621%0.21CC..  trans-104.322.2173.456.10000111.4S275 Q279 P280 F281 N314 V318S275-T316 PolarHBondContact O-OG1 3.2Å; S275-T316 VanDerWaalsContact O-OG1 3.11Å; S275-T316 PolarHBondContact OG-N 3.27Å; S275-T316 PolarHBondContact OG-OG1 3.12Å; Q279-T316 WeakPolarHBondContact O-CB 2.96Å; Q279-T316 PolarHBondContact O-OG1 3.19Å; P280-T316 WeakPolarHBondContact CA-O 3.29Å; F281-T316 PolarHBondContact N-O 3.23Å; F281-T316 VanDerWaalsContact N-O 3.14Å; N314-T316 PolarHBondContact O-N 3.48Å; T316-V318 PolarHBondContact O-N 3.5Å
317L98.1Very high97.6Very high33 Ų3340.6 Ų40.617%0.17321%0.212CC..EExtended strand (participates in β ladder)trans-59.7123.4177.3-175.773.9000110.4F281 W283 A309 L310 S315 G319F281-L317 HydrophobicContact CD2-CD1 4.02Å; F281-L317 HydrophobicContact CE1-CB 3.85Å; F281-L317 HydrophobicContact CE1-CD1 4.24Å; F281-L317 HydrophobicContact CE2-CD1 3.52Å; F281-L317 HydrophobicContact CZ-CB 3.91Å; F281-L317 HydrophobicContact CZ-CD1 3.65Å; F281-L317 HydrophobicContact CZ-CG 4.39Å; W283-L317 HydrophobicContact CB-CD1 3.7Å; A309-L317 HydrophobicContact CB-CD1 4.37Å; A309-L317 HydrophobicContact CB-CD2 4.15Å; L310-L317 HydrophobicContact CB-CD2 3.94Å; L310-L317 HydrophobicContact CD1-CD2 4.3Å; S315-L317 WeakPolarHBondContact OG-CB 3.4Å; S315-L317 PolarHBondContact OG-N 3.17Å; L317-G319 WeakPolarHBondContact CD1-O 3.37Å
318V98Very high97.6Very high32 Ų3244.8 Ų44.819%0.19423%0.232CC..EExtended strand (participates in β ladder)trans-116.1-8.2176.7-68.40000113.2R7 F8 I258 P280 F281 I282 T316R7-V318 WeakPolarHBondContact CA-O 3.28Å; R7-V318 VanDerWaalsContact CB-O 3.26Å; R7-V318 WeakPolarHBondContact CB-O 3.25Å; R7-V318 PolarHBondContact N-O 2.98Å; F8-V318 HydrophobicContact CD2-CB 4.24Å; F8-V318 HydrophobicContact CD2-CG2 4Å; F8-V318 HydrophobicContact CE2-CG2 4.41Å; F8-V318 PolarHBondContact N-O 3.48Å; I258-V318 HydrophobicContact CG2-CG2 4.23Å; P280-V318 HydrophobicContact CB-CG1 3.89Å; P280-V318 HydrophobicContact CB-CG2 3.89Å; F281-V318 VanDerWaalsContact O-CG2 3.32Å; F281-V318 WeakPolarHBondContact O-CG2 3.35Å; F281-V318 PolarHBondContact O-N 2.88Å; I282-V318 HydrophobicContact CG1-CG2 4.15Å; T316-V318 PolarHBondContact O-N 3.5Å
319G97.4Very high97.7Very high0 Ų038.6 Ų38.60%021%0.205CC..EExtended strand (participates in β ladder)trans-170175.3-17800000114.7F8 I282 W283 L317F8-G319 CarbonylContact O-C 3.6Å; F8-G319 WeakPolarHBondContact O-CA 3.12Å; I282-G319 WeakPolarHBondContact CA-O 3.31Å; W283-G319 PolarHBondContact N-O 3.43Å; W283-G319 VanDerWaalsContact N-O 3.08Å; L317-G319 WeakPolarHBondContact CD1-O 3.37Å
320I97.9Very high97.7Very high9 Ų938.6 Ų38.65%0.04621%0.205CC..EExtended strand (participates in β ladder)trans-121.3156.5166.272.6167.7000109.8F8 R9 Y10 I282 W283 P306 M337 L340 A341F8-I320 PolarHBondContact O-N 3.46Å; R9-I320 VanDerWaalsContact CA-O 3.29Å; R9-I320 WeakPolarHBondContact CA-O 3.37Å; Y10-I320 PolarHBondContact N-O 3.07Å; I282-I320 VanDerWaalsContact CG2-C 3.43Å; W283-I320 CarbonylContact O-C 3.49Å; W283-I320 VanDerWaalsContact O-CA 3.22Å; W283-I320 WeakPolarHBondContact O-CA 3.43Å; P306-I320 HydrophobicContact CB-CG2 3.93Å; P306-I320 HydrophobicContact CG-CG2 4.33Å; I320-M337 HydrophobicContact CB-CE 3.79Å; I320-M337 HydrophobicContact CD1-CE 3.83Å; I320-M337 HydrophobicContact CD1-SD 4.37Å; I320-M337 HydrophobicContact CG1-CE 4.14Å; I320-L340 HydrophobicContact CD1-CB 4.37Å; I320-A341 HydrophobicContact CD1-CB 3.56Å; I320-A341 VanDerWaalsContact CD1-N 3.27Å; I320-A341 HydrophobicContact CG1-CB 3.95Å
321G98.1Very high97.8Very high3 Ų336.8 Ų36.83%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-148.6162-176.500000114.9Y10 W283 C284 M285 M337Y10-G321 CarbonylContact O-C 3.42Å; Y10-G321 WeakPolarHBondContact O-CA 3.42Å; W283-G321 PolarHBondContact O-N 3.05Å; C284-G321 WeakPolarHBondContact CA-O 3.24Å; M285-G321 PolarHBondContact N-O 2.83Å; G321-M337 VanDerWaalsContact O-CE 3.23Å; G321-M337 WeakPolarHBondContact O-CE 3.06Å
322M98.7Very high98Very high4 Ų429.7 Ų29.72%0.0217%0.165CC..EExtended strand (participates in β ladder)trans-117.9119.1169.7-67.4176.4-68.800108.8Y10 Y11 Q12 W35 I41 M285 P324 Y334 M337 S338Y10-M322 PolarHBondContact O-N 3.27Å; Y11-M322 WeakPolarHBondContact CA-O 3.25Å; Y11-M322 HydrophobicContact CD2-CB 4Å; Y11-M322 HydrophobicContact CD2-CE 4.29Å; Q12-M322 PolarHBondContact N-O 2.94Å; W35-M322 HydrophobicContact CH2-CE 3.77Å; W35-M322 HydrophobicContact CH2-SD 4.44Å; W35-M322 HydrophobicContact CZ3-CE 4.29Å; I41-M322 HydrophobicContact CD1-CE 3.77Å; M285-M322 HydrophobicContact CE-CG 4.05Å; M322-P324 WeakPolarHBondContact O-CD 3.41Å; M322-Y334 HydrophobicContact CG-CD1 4.42Å; M322-Y334 HydrophobicContact SD-CD1 3.78Å; M322-Y334 HydrophobicContact SD-CG 4.46Å; M322-M337 HydrophobicContact CG-CB 4.21Å; M322-M337 HydrophobicContact CG-CG 3.62Å; M322-M337 HydrophobicContact SD-CB 4.21Å; M322-M337 HydrophobicContact SD-CG 4.22Å; M322-S338 VanDerWaalsContact CE-OG 3.24Å; M322-S338 WeakPolarHBondContact CE-OG 3.45Å
323T98.6Very high98Very high0 Ų027.1 Ų27.10%015%0.154CC..  trans-120.441.6-173.5460000112.7Y10 N13 L262 C284 M285 L286 E325Y10-T323 HydrophobicContact CD1-CG2 3.96Å; Y10-T323 HydrophobicContact CE1-CG2 3.48Å; Y10-T323 VanDerWaalsContact CE1-CG2 3.48Å; N13-T323 WeakPolarHBondContact CB-O 3.49Å; N13-T323 PolarHBondContact ND2-O 2.9Å; L262-T323 HydrophobicContact CD1-CG2 3.46Å; L262-T323 VanDerWaalsContact CD1-CG2 3.46Å; L262-T323 HydrophobicContact CG-CG2 4.2Å; L262-T323 PolarHBondContact O-OG1 3.27Å; C284-T323 HydrophobicContact CB-CG2 3.58Å; C284-T323 WeakPolarHBondContact CB-OG1 3.48Å; M285-T323 PolarHBondContact O-N 3.46Å; M285-T323 PolarHBondContact O-OG1 2.68Å; L286-T323 VanDerWaalsContact CA-OG1 3.32Å; L286-T323 WeakPolarHBondContact CA-OG1 3.39Å; L286-T323 PolarHBondContact N-OG1 3.02Å; T323-E325 PolarHBondContact O-N 3.21Å
324P98.8Very high98.1Very high0 Ų023.3 Ų23.30%013%0.127CC..  trans-68.6136.8-177.332.8-37.6000111.9Y11 N13 T16 L286 N288 M322 G326 I327 Y334Y11-P324 HydrophobicContact CE2-CG 4.45Å; N13-P324 VanDerWaalsContact CB-O 3.26Å; N13-P324 WeakPolarHBondContact CB-O 3.5Å; T16-P324 PolarHBondContact OG1-O 3.38Å; L286-P324 WeakPolarHBondContact O-CA 3.37Å; N288-P324 HydrophobicContact CB-CB 4.11Å; M322-P324 WeakPolarHBondContact O-CD 3.41Å; P324-G326 PolarHBondContact O-N 3.16Å; P324-I327 HydrophobicContact CB-CG2 4.4Å; P324-I327 HydrophobicContact CG-CG2 3.62Å; P324-Y334 HydrophobicContact CB-CE1 3.87Å; P324-Y334 VanDerWaalsContact CB-OH 3.27Å; P324-Y334 WeakPolarHBondContact CB-OH 3.32Å; P324-Y334 HydrophobicContact CG-CE1 3.73Å
325E98.8Very high98.1Very high11 Ų1119.4 Ų19.45%0.05110%0.104CC..SBendtrans-64.7-32.8173.9-66.3-163.1162.200112.1C15 T16 Y19 N288 F289 G290 T323 Y536C15-E325 CarbonylContact C-O 3.54Å; C15-E325 HydrophobicContact CB-CB 3.81Å; C15-E325 HydrophobicContact CB-CG 3.8Å; T16-E325 WeakPolarHBondContact CA-O 3.3Å; T16-E325 PolarHBondContact N-O 3.37Å; Y19-E325 HydrophobicContact CD2-CB 4.03Å; Y19-E325 WeakPolarHBondContact CD2-O 3.22Å; Y19-E325 HydrophobicContact CE2-CB 4.29Å; N288-E325 WeakPolarHBondContact O-CB 3.22Å; N288-E325 PolarHBondContact O-N 3.17Å; F289-E325 WeakPolarHBondContact CA-OE2 3.46Å; G290-E325 PolarHBondContact N-OE2 3.39Å; T323-E325 PolarHBondContact O-N 3.21Å; E325-Y536 PolarHBondContact OE1-OH 2.67Å; E325-Y536 WeakPolarHBondContact OE2-CE1 3.27Å; E325-Y536 PolarHBondContact OE2-OH 3.33Å; E325-Y536 VanDerWaalsContact OE2-OH 3.08Å
326G98.4Very high98.2Very high0 Ų017.6 Ų17.60%09%0.091CC..SBendtrans-142.6150.5169.800000112.1S20 N288 P324 Q329S20-G326 WeakPolarHBondContact OG-CA 3.43Å; N288-G326 PolarHBondContact OD1-N 2.91Å; N288-G326 PolarHBondContact OD1-O 3.01Å; P324-G326 PolarHBondContact O-N 3.16Å; G326-Q329 PolarHBondContact O-NE2 3.18Å
327I98.5Very high98.2Very high19 Ų1916.2 Ų16.210%0.0978%0.082CC..  trans-108.9-168-175.861154.1000111.4Y11 T16 S20 F21 W24 P324 Q329Y11-I327 HydrophobicContact CE2-CG2 4.47Å; Y11-I327 WeakPolarHBondContact OH-CG2 3.32Å; T16-I327 HydrophobicContact CG2-CG1 4.45Å; T16-I327 HydrophobicContact CG2-CG2 3.86Å; S20-I327 PolarHBondContact OG-N 3.38Å; S20-I327 VanDerWaalsContact OG-N 3.11Å; F21-I327 HydrophobicContact CE1-CD1 3.79Å; F21-I327 HydrophobicContact CE1-CG1 4.09Å; W24-I327 HydrophobicContact CH2-CD1 3.71Å; W24-I327 HydrophobicContact CZ2-CD1 3.85Å; P324-I327 HydrophobicContact CB-CG2 4.4Å; P324-I327 HydrophobicContact CG-CG2 3.62Å; I327-Q329 VanDerWaalsContact C-N 3.35Å
328E96.4Very high98.1Very high105 Ų10515 Ų1549%0.4918%0.077SC..SBendtrans67.231.2179.9-58.4-178.8169.500114.1R28 Y436R28-E328 IonicContact CZ-OE1 3.25Å; R28-E328 IonicContact NE-OE1 2.61Å; R28-E328 PolarHBondContact NE-OE1 2.95Å; R28-E328 IonicContact NH2-OE1 2.85Å; R28-E328 PolarHBondContact NH2-OE1 3.03Å; E328-Y436 PolarHBondContact O-OH 2.84Å
329Q97.6Very high98Very high4 Ų416.3 Ų16.32%0.0198%0.081CC..SBendtrans-143.4160.7172.348.8684600110.3N288 G326 I327 P331 Y334N288-Q329 VanDerWaalsContact CB-NE2 3.3Å; N288-Q329 PolarHBondContact ND2-NE2 3.25Å; N288-Q329 PolarHBondContact ND2-OE1 2.99Å; G326-Q329 PolarHBondContact O-NE2 3.18Å; I327-Q329 VanDerWaalsContact C-N 3.35Å; Q329-P331 VanDerWaalsContact O-N 3.17Å; Q329-Y334 PolarHBondContact NE2-OH 2.88Å; Q329-Y334 WeakPolarHBondContact O-CE2 3.31Å
330N98.4Very high97.9Very high0 Ų016.6 Ų16.60%08%0.082CC..  trans45.648.1174-62.7-113.7000114.2G294 F295 F296 V332 I333 Y334 Y380G294-N330 PolarHBondContact O-ND2 2.78Å; G294-N330 PolarHBondContact O-OD1 3.12Å; F295-N330 WeakPolarHBondContact CA-OD1 3.35Å; F296-N330 PolarHBondContact N-OD1 3.5Å; F296-N330 PolarHBondContact O-OD1 2.92Å; N330-V332 PolarHBondContact O-N 3.3Å; N330-I333 HydrophobicContact CB-CG1 4.27Å; N330-I333 WeakPolarHBondContact O-CB 3.33Å; N330-I333 PolarHBondContact O-N 2.69Å; N330-Y334 WeakPolarHBondContact O-CD2 3.02Å; N330-Y380 HydrophobicContact CB-CE1 4.22Å; N330-Y380 VanDerWaalsContact OD1-CE1 3.26Å; N330-Y380 WeakPolarHBondContact OD1-CE1 3.45Å
331P98.1Very high97.7Very high32 Ų3216.3 Ų16.321%0.2088%0.081CC..Hα-helixtrans-56.2-32-169.122.1-34.1000113.6Q329 I333 Y334 E335 Y436Q329-P331 VanDerWaalsContact O-N 3.17Å; P331-I333 PolarHBondContact O-N 3.2Å; P331-Y334 PolarHBondContact O-N 3.05Å; P331-E335 PolarHBondContact O-N 2.87Å; P331-Y436 HydrophobicContact CG-CE1 4.4Å
332V98.6Very high97.5Very high0 Ų022.5 Ų22.50%010%0.104CC..Hα-helixtrans-58.1-32178.8730000113.3N330 L336 W352 Y356 W372 F376 Y380N330-V332 PolarHBondContact O-N 3.3Å; V332-L336 PolarHBondContact O-N 3.47Å; V332-L336 VanDerWaalsContact O-N 3.1Å; V332-W352 HydrophobicContact CG2-CH2 4.02Å; V332-W352 HydrophobicContact CG2-CZ3 3.7Å; V332-W352 WeakPolarHBondContact O-CH2 3.17Å; V332-Y356 HydrophobicContact CB-CE1 3.82Å; V332-Y356 HydrophobicContact CB-CE2 4.11Å; V332-Y356 HydrophobicContact CG2-CD1 3.67Å; V332-Y356 HydrophobicContact CG2-CD2 4.07Å; V332-Y356 HydrophobicContact CG2-CE1 3.45Å; V332-Y356 VanDerWaalsContact CG2-CE1 3.45Å; V332-Y356 HydrophobicContact CG2-CE2 3.86Å; V332-Y356 HydrophobicContact CG2-CG 3.97Å; V332-W372 HydrophobicContact CB-CH2 4.35Å; V332-W372 HydrophobicContact CB-CZ3 4.06Å; V332-W372 HydrophobicContact CG1-CZ3 3.98Å; V332-W372 HydrophobicContact CG2-CZ3 4.1Å; V332-F376 HydrophobicContact CB-CE2 4.28Å; V332-F376 HydrophobicContact CG1-CE2 3.88Å; V332-F376 HydrophobicContact CG1-CZ 4.41Å; V332-F376 HydrophobicContact CG2-CE2 3.41Å; V332-F376 VanDerWaalsContact CG2-CE2 3.41Å; V332-F376 HydrophobicContact CG2-CZ 3.53Å; V332-Y380 HydrophobicContact CG1-CD1 4.26Å; V332-Y380 HydrophobicContact CG1-CD2 4.49Å; V332-Y380 HydrophobicContact CG1-CE1 3.78Å; V332-Y380 HydrophobicContact CG1-CE2 4.09Å
333I98.4Very high97.3Very high0 Ų026 Ų260%012%0.117CC..Hα-helixtrans-74.3-41.8-179.6-62.5-58.5000110.8M285 V299 I302 N330 P331 L336 M337 Y380M285-I333 HydrophobicContact CE-CG2 3.84Å; M285-I333 HydrophobicContact SD-CG2 3.47Å; M285-I333 WeakPolarHBondContact SD-CG2 3.22Å; V299-I333 HydrophobicContact CG1-CD1 3.49Å; V299-I333 VanDerWaalsContact CG1-CD1 3.49Å; I302-I333 HydrophobicContact CD1-CG2 3.71Å; N330-I333 HydrophobicContact CB-CG1 4.27Å; N330-I333 WeakPolarHBondContact O-CB 3.33Å; N330-I333 PolarHBondContact O-N 2.69Å; P331-I333 PolarHBondContact O-N 3.2Å; I333-L336 PolarHBondContact O-N 3.37Å; I333-M337 WeakPolarHBondContact O-CB 3.37Å; I333-M337 PolarHBondContact O-N 3.01Å; I333-Y380 HydrophobicContact CD1-CD1 3.68Å; I333-Y380 HydrophobicContact CD1-CE1 4.35Å; I333-Y380 HydrophobicContact CD1-CG 4.27Å; I333-Y380 HydrophobicContact CG1-CD1 3.79Å; I333-Y380 HydrophobicContact CG1-CE1 4.02Å
334Y98.5Very high97Very high15 Ų1533 Ų336%0.05915%0.147CC..Hα-helixtrans-69.7-35.4177.3-61-76.7000112.2M285 N287 M322 P324 Q329 N330 P331 S338M285-Y334 HydrophobicContact CE-CD1 3.63Å; M285-Y334 HydrophobicContact CE-CE1 3.69Å; M285-Y334 HydrophobicContact CE-CG 4.42Å; N287-Y334 PolarHBondContact OD1-OH 3.39Å; N287-Y334 VanDerWaalsContact OD1-OH 3.13Å; M322-Y334 HydrophobicContact CG-CD1 4.42Å; M322-Y334 HydrophobicContact SD-CD1 3.78Å; M322-Y334 HydrophobicContact SD-CG 4.46Å; P324-Y334 HydrophobicContact CB-CE1 3.87Å; P324-Y334 VanDerWaalsContact CB-OH 3.27Å; P324-Y334 WeakPolarHBondContact CB-OH 3.32Å; P324-Y334 HydrophobicContact CG-CE1 3.73Å; Q329-Y334 PolarHBondContact NE2-OH 2.88Å; Q329-Y334 WeakPolarHBondContact O-CE2 3.31Å; N330-Y334 WeakPolarHBondContact O-CD2 3.02Å; P331-Y334 PolarHBondContact O-N 3.05Å; Y334-S338 VanDerWaalsContact O-CB 3.27Å; Y334-S338 WeakPolarHBondContact O-CB 3.14Å; Y334-S338 PolarHBondContact O-N 2.9Å; Y334-S338 PolarHBondContact O-OG 3.13Å
335E98.1Very high96.8Very high71 Ų7139.1 Ų39.133%0.33218%0.176SC..Hα-helixtrans-65.5-42.9172.6-75.5-168.6-135.800111.9P331 S338 E339 W352 Y356P331-E335 PolarHBondContact O-N 2.87Å; E335-S338 PolarHBondContact O-N 3.1Å; E335-E339 PolarHBondContact O-N 3.31Å; E335-W352 HydrophobicContact CB-CH2 4.26Å; E335-W352 HydrophobicContact CB-CZ2 4.37Å; E335-Y356 HydrophobicContact CB-CE2 4.48Å; E335-Y356 HydrophobicContact CG-CE2 4.46Å; E335-Y356 WeakPolarHBondContact OE1-CE2 3.28Å; E335-Y356 WeakPolarHBondContact OE2-CE2 3.5Å
336L98.6Very high96.7Very high0 Ų041.4 Ų41.40%019%0.191CC..Hα-helixtrans-58.4-54174176.561.8000110.3V299 I302 V332 I333 S338 E339 L340 V347 L349 W352V299-L336 HydrophobicContact CB-CD2 4.23Å; V299-L336 HydrophobicContact CG1-CD2 4.1Å; I302-L336 HydrophobicContact CG2-CD2 4.19Å; I302-L336 HydrophobicContact CG2-CG 4.32Å; V332-L336 PolarHBondContact O-N 3.47Å; V332-L336 VanDerWaalsContact O-N 3.1Å; I333-L336 PolarHBondContact O-N 3.37Å; L336-S338 VanDerWaalsContact C-N 3.32Å; L336-S338 PolarHBondContact O-N 3.25Å; L336-E339 PolarHBondContact O-N 3.04Å; L336-L340 HydrophobicContact CD1-CG 4.49Å; L336-L340 HydrophobicContact CG-CD1 4.5Å; L336-L340 WeakPolarHBondContact O-CG 3.23Å; L336-L340 PolarHBondContact O-N 3.14Å; L336-L340 VanDerWaalsContact O-N 3.13Å; L336-V347 HydrophobicContact CD1-CG2 3.79Å; L336-L349 HydrophobicContact CD1-CD2 4.22Å; L336-L349 HydrophobicContact CD2-CD2 3.9Å; L336-W352 HydrophobicContact CB-CH2 3.78Å; L336-W352 HydrophobicContact CB-CZ2 3.97Å; L336-W352 HydrophobicContact CB-CZ3 4.23Å; L336-W352 HydrophobicContact CD1-CD2 4.13Å; L336-W352 HydrophobicContact CD1-CE3 4.42Å; L336-W352 HydrophobicContact CD1-CZ2 4.29Å
337M97.7Very high96.7Very high2 Ų242.1 Ų42.11%0.0120%0.196CC..Hα-helixtrans-60.1-40.8-177.7-175.355.4-175.500112.6W283 M285 I302 I320 G321 M322 I333 L340W283-M337 HydrophobicContact CE3-CE 3.57Å; W283-M337 HydrophobicContact CZ3-CE 3.46Å; W283-M337 VanDerWaalsContact CZ3-CE 3.46Å; W283-M337 HydrophobicContact CZ3-SD 3.86Å; M285-M337 HydrophobicContact CB-CE 4.19Å; M285-M337 HydrophobicContact CB-CG 4.07Å; M285-M337 HydrophobicContact CB-SD 4.18Å; M285-M337 HydrophobicContact CE-CB 3.84Å; M285-M337 HydrophobicContact CE-CG 4.04Å; M285-M337 HydrophobicContact SD-CB 3.82Å; M285-M337 HydrophobicContact SD-CG 4.01Å; I302-M337 HydrophobicContact CG2-CB 4.26Å; I302-M337 HydrophobicContact CG2-SD 3.97Å; I320-M337 HydrophobicContact CB-CE 3.79Å; I320-M337 HydrophobicContact CD1-CE 3.83Å; I320-M337 HydrophobicContact CD1-SD 4.37Å; I320-M337 HydrophobicContact CG1-CE 4.14Å; G321-M337 VanDerWaalsContact O-CE 3.23Å; G321-M337 WeakPolarHBondContact O-CE 3.06Å; M322-M337 HydrophobicContact CG-CB 4.21Å; M322-M337 HydrophobicContact CG-CG 3.62Å; M322-M337 HydrophobicContact SD-CB 4.21Å; M322-M337 HydrophobicContact SD-CG 4.22Å; I333-M337 WeakPolarHBondContact O-CB 3.37Å; I333-M337 PolarHBondContact O-N 3.01Å; M337-L340 PolarHBondContact O-N 2.75Å; M337-L340 HydrophobicContact SD-CD1 4.46Å
338S96.1Very high96.7Very high8 Ų846.3 Ų46.36%0.05622%0.219CC..Hα-helixtrans-65.2-39.6177.3-60.40000112.2N39 M322 Y334 E335 L336 L340 A341N39-S338 VanDerWaalsContact OD1-CB 3.3Å; N39-S338 WeakPolarHBondContact OD1-CB 3.08Å; N39-S338 PolarHBondContact OD1-OG 3.15Å; M322-S338 VanDerWaalsContact CE-OG 3.24Å; M322-S338 WeakPolarHBondContact CE-OG 3.45Å; Y334-S338 VanDerWaalsContact O-CB 3.27Å; Y334-S338 WeakPolarHBondContact O-CB 3.14Å; Y334-S338 PolarHBondContact O-N 2.9Å; Y334-S338 PolarHBondContact O-OG 3.13Å; E335-S338 PolarHBondContact O-N 3.1Å; L336-S338 VanDerWaalsContact C-N 3.32Å; L336-S338 PolarHBondContact O-N 3.25Å; S338-L340 VanDerWaalsContact C-N 3.33Å; S338-L340 PolarHBondContact O-N 3.42Å; S338-A341 WeakPolarHBondContact O-CB 3.05Å; S338-A341 PolarHBondContact O-N 2.75Å
339E96.6Very high96.8Very high60 Ų6042.1 Ų42.128%0.2820%0.199SC..Hα-helixtrans-63.5-39.8176.1-169.2-178.213300111.3E335 L336 A341 W342 R343 W352E335-E339 PolarHBondContact O-N 3.31Å; L336-E339 PolarHBondContact O-N 3.04Å; E339-A341 PolarHBondContact O-N 2.86Å; E339-A341 VanDerWaalsContact O-N 3.09Å; E339-W342 PolarHBondContact O-N 3.49Å; E339-R343 HydrophobicContact CG-CG 4.38Å; E339-R343 WeakPolarHBondContact O-CG 3.45Å; E339-R343 IonicContact OE1-CZ 3.57Å; E339-R343 IonicContact OE1-NH1 3.62Å; E339-R343 PolarHBondContact OE1-NH1 2.86Å; E339-W352 PolarHBondContact OE2-NE1 3.46Å
340L95.9Very high96.8Very high5 Ų544.4 Ų44.43%0.02622%0.219CC..Hα-helixtrans-58.8-26-177.6-65.4178.4000113.4I302 F307 I320 L336 M337 S338 W342 R343I302-L340 HydrophobicContact CG2-CD1 3.88Å; I302-L340 WeakPolarHBondContact O-CD1 3.25Å; F307-L340 HydrophobicContact CE2-CD2 4.13Å; F307-L340 HydrophobicContact CZ-CD2 4.36Å; I320-L340 HydrophobicContact CD1-CB 4.37Å; L336-L340 HydrophobicContact CD1-CG 4.49Å; L336-L340 HydrophobicContact CG-CD1 4.5Å; L336-L340 WeakPolarHBondContact O-CG 3.23Å; L336-L340 PolarHBondContact O-N 3.14Å; L336-L340 VanDerWaalsContact O-N 3.13Å; M337-L340 PolarHBondContact O-N 2.75Å; M337-L340 HydrophobicContact SD-CD1 4.46Å; S338-L340 VanDerWaalsContact C-N 3.33Å; S338-L340 PolarHBondContact O-N 3.42Å; L340-W342 PolarHBondContact O-N 3.35Å; L340-W342 VanDerWaalsContact O-N 3.11Å; L340-R343 PolarHBondContact O-N 2.77Å; L340-R343 VanDerWaalsContact O-N 3.13Å
341A92.3Very high96.8Very high3 Ų351.1 Ų51.13%0.02525%0.248CC..THydrogen-bonded Turntrans-58.6-23.6173.700000113.9R9 I320 S338 E339R9-A341 HydrophobicContact CG-CB 3.6Å; I320-A341 HydrophobicContact CD1-CB 3.56Å; I320-A341 VanDerWaalsContact CD1-N 3.27Å; I320-A341 HydrophobicContact CG1-CB 3.95Å; S338-A341 WeakPolarHBondContact O-CB 3.05Å; S338-A341 PolarHBondContact O-N 2.75Å; E339-A341 PolarHBondContact O-N 2.86Å; E339-A341 VanDerWaalsContact O-N 3.09Å
342W94.3Very high96.8Very high134 Ų13450.3 Ų50.351%0.50824%0.241SC..THydrogen-bonded Turntrans-106.23.1-175.6-64.392.5000112.7V4 E339 L340V4-W342 HydrophobicContact CG1-CZ3 4.41Å; V4-W342 HydrophobicContact CG2-CH2 4.4Å; V4-W342 HydrophobicContact CG2-CZ3 3.95Å; E339-W342 PolarHBondContact O-N 3.49Å; L340-W342 PolarHBondContact O-N 3.35Å; L340-W342 VanDerWaalsContact O-N 3.11Å
343R94.6Very high96.8Very high77 Ų7750.3 Ų50.329%0.29124%0.241SC..  trans-106154.9-176.9-58-163.47284.910.7111.8F307 E339 L340 E345F307-R343 HydrophobicContact CZ-CB 4.12Å; E339-R343 HydrophobicContact CG-CG 4.38Å; E339-R343 WeakPolarHBondContact O-CG 3.45Å; E339-R343 IonicContact OE1-CZ 3.57Å; E339-R343 IonicContact OE1-NH1 3.62Å; E339-R343 PolarHBondContact OE1-NH1 2.86Å; L340-R343 PolarHBondContact O-N 2.77Å; L340-R343 VanDerWaalsContact O-N 3.13Å; R343-E345 PolarHBondContact NE-O 2.93Å
344K92.1Very high96.8Very high147 Ų14751.1 Ų51.164%0.63925%0.247SC*.SBendtrans-99.9-14.6172-67.5-178.6179.4-174.40112.9V5 F307V5-K344 HydrophobicContact CG2-CG 3.63Å; F307-K344 WeakPolarHBondContact CD1-O 3.4Å; F307-K344 WeakPolarHBondContact CE1-O 3.36Å
345E94.6Very high96.8Very high129 Ų12954.2 Ų54.260%0.60326%0.264SS*.SBendtrans-148.3156.1-175.962.2-176-178.300110.6F307 R343F307-E345 VanDerWaalsContact CE1-N 3.32Å; F307-E345 WeakPolarHBondContact CZ-O 3.38Å; R343-E345 PolarHBondContact NE-O 2.93Å
346P97.1Very high96.8Very high58 Ų5850.9 Ų50.938%0.37725%0.248SC..  trans-54.3151.1174.1-24.532.8000113.1N303 F307N303-P346 WeakPolarHBondContact O-CB 3.4Å; N303-P346 WeakPolarHBondContact OD1-CA 3.05Å; F307-P346 HydrophobicContact CD2-CB 4.42Å; F307-P346 HydrophobicContact CD2-CG 3.59Å; F307-P346 HydrophobicContact CE2-CB 4.33Å; F307-P346 HydrophobicContact CE2-CG 3.94Å; F307-P346 HydrophobicContact CG-CG 4.3Å
347V98Very high96.8Very high16 Ų1651 Ų5110%0.09725%0.249CC..  trans-82.6159.2171.6-63.60000111.5N303 L336 L349 W352N303-V347 PolarHBondContact ND2-O 3.08Å; N303-V347 VanDerWaalsContact OD1-CG2 3.3Å; N303-V347 WeakPolarHBondContact OD1-CG2 3.24Å; N303-V347 PolarHBondContact OD1-N 2.99Å; L336-V347 HydrophobicContact CD1-CG2 3.79Å; V347-L349 HydrophobicContact CG2-CD2 3.89Å; V347-L349 PolarHBondContact O-N 3.39Å; V347-W352 HydrophobicContact CB-CB 4.27Å; V347-W352 HydrophobicContact CB-CG 4.43Å; V347-W352 HydrophobicContact CG2-CB 3.96Å; V347-W352 HydrophobicContact CG2-CG 3.99Å
348N98.4Very high96.8Very high107 Ų10752.8 Ų52.857%0.57226%0.26SS*.  trans-75.9106.1160.1-179.7-59.2000108.7A350 K351 W352N348-A350 PolarHBondContact O-N 3.1Å; N348-A350 PolarHBondContact OD1-N 3.11Å; N348-K351 HydrophobicContact CB-CB 4.13Å; N348-K351 PolarHBondContact O-N 2.92Å; N348-K351 WeakPolarHBondContact OD1-CB 3.39Å; N348-K351 PolarHBondContact OD1-N 3.46Å; N348-W352 VanDerWaalsContact O-CB 3.3Å; N348-W352 WeakPolarHBondContact O-CB 3.44Å; N348-W352 PolarHBondContact O-N 3.32Å
349L98.4Very high96.9Very high17 Ų1758.7 Ų58.79%0.08928%0.281CS..Hα-helixtrans-60.3-42.5-172.2-69169.5000113.1V299 E300 N303 L336 V347 K351 W352 V353 F376V299-L349 HydrophobicContact CB-CD1 4.26Å; V299-L349 HydrophobicContact CB-CD2 4.39Å; V299-L349 HydrophobicContact CG2-CD1 4.1Å; E300-L349 HydrophobicContact CG-CD1 4.12Å; N303-L349 HydrophobicContact CB-CD1 4.24Å; N303-L349 HydrophobicContact CB-CD2 3.91Å; N303-L349 HydrophobicContact CB-CG 4.33Å; L336-L349 HydrophobicContact CD1-CD2 4.22Å; L336-L349 HydrophobicContact CD2-CD2 3.9Å; V347-L349 HydrophobicContact CG2-CD2 3.89Å; V347-L349 PolarHBondContact O-N 3.39Å; L349-K351 PolarHBondContact O-N 3.46Å; L349-W352 PolarHBondContact O-N 3.13Å; L349-V353 WeakPolarHBondContact O-CG1 3.48Å; L349-V353 PolarHBondContact O-N 3.09Å; L349-F376 HydrophobicContact CB-CD1 4.44Å; L349-F376 HydrophobicContact CD2-CE1 4.37Å
350A98.3Very high97Very high51 Ų5157.7 Ų57.742%0.42128%0.275SS..Hα-helixtrans-62.1-42.7179.100000112N348 S354N348-A350 PolarHBondContact O-N 3.1Å; N348-A350 PolarHBondContact OD1-N 3.11Å; A350-S354 WeakPolarHBondContact O-CB 3.11Å; A350-S354 PolarHBondContact O-N 3.03Å; A350-S354 PolarHBondContact O-OG 2.95Å
351K98.4Very high97Very high141 Ų14157.6 Ų57.661%0.61327%0.274SS*.Hα-helixtrans-68.9-43.2174.8-175.7178.8179.6-179.90111.2N348 L349 S354 L355N348-K351 HydrophobicContact CB-CB 4.13Å; N348-K351 PolarHBondContact O-N 2.92Å; N348-K351 WeakPolarHBondContact OD1-CB 3.39Å; N348-K351 PolarHBondContact OD1-N 3.46Å; L349-K351 PolarHBondContact O-N 3.46Å; K351-S354 WeakPolarHBondContact O-CB 3.48Å; K351-S354 PolarHBondContact O-N 3.17Å; K351-L355 HydrophobicContact CG-CD1 4.19Å; K351-L355 WeakPolarHBondContact O-CG 3.49Å; K351-L355 PolarHBondContact O-N 3.02Å; K351-L355 VanDerWaalsContact O-N 3.13Å
352W98.7Very high97.2Very high15 Ų1560.5 Ų60.56%0.05730%0.304CS..Hα-helixtrans-60.5-49.7-178.2-175.992.7000111.2V332 E335 L336 E339 V347 N348 L349 S354 L355 Y356 F376V332-W352 HydrophobicContact CG2-CH2 4.02Å; V332-W352 HydrophobicContact CG2-CZ3 3.7Å; V332-W352 WeakPolarHBondContact O-CH2 3.17Å; E335-W352 HydrophobicContact CB-CH2 4.26Å; E335-W352 HydrophobicContact CB-CZ2 4.37Å; L336-W352 HydrophobicContact CB-CH2 3.78Å; L336-W352 HydrophobicContact CB-CZ2 3.97Å; L336-W352 HydrophobicContact CB-CZ3 4.23Å; L336-W352 HydrophobicContact CD1-CD2 4.13Å; L336-W352 HydrophobicContact CD1-CE3 4.42Å; L336-W352 HydrophobicContact CD1-CZ2 4.29Å; E339-W352 PolarHBondContact OE2-NE1 3.46Å; V347-W352 HydrophobicContact CB-CB 4.27Å; V347-W352 HydrophobicContact CB-CG 4.43Å; V347-W352 HydrophobicContact CG2-CB 3.96Å; V347-W352 HydrophobicContact CG2-CG 3.99Å; N348-W352 VanDerWaalsContact O-CB 3.3Å; N348-W352 WeakPolarHBondContact O-CB 3.44Å; N348-W352 PolarHBondContact O-N 3.32Å; L349-W352 PolarHBondContact O-N 3.13Å; W352-S354 VanDerWaalsContact C-N 3.33Å; W352-S354 PolarHBondContact O-N 3.41Å; W352-L355 PolarHBondContact O-N 3.02Å; W352-L355 VanDerWaalsContact O-N 3.16Å; W352-Y356 HydrophobicContact CH2-CD2 4.02Å; W352-Y356 HydrophobicContact CH2-CG 4.3Å; W352-Y356 HydrophobicContact CZ3-CD2 4.41Å; W352-Y356 HydrophobicContact CZ3-CG 4.24Å; W352-Y356 PolarHBondContact O-N 3.28Å; W352-F376 AromaticContact CE3-CE1 3.92Å; W352-F376 HydrophobicContact CE3-CE1 3.92Å; W352-F376 HydrophobicContact CE3-CZ 4.05Å; W352-F376 AromaticContact CZ3-CE1 3.98Å; W352-F376 HydrophobicContact CZ3-CE1 3.98Å; W352-F376 AromaticContact CZ3-CZ 3.62Å; W352-F376 HydrophobicContact CZ3-CZ 3.62Å
353V98.6Very high97.2Very high0 Ų055.3 Ų55.30%029%0.292CS..Hα-helixtrans-68.6-33.5-178.577.60000112.4L349 L355 Y356 A357 W372 K373 F376L349-V353 WeakPolarHBondContact O-CG1 3.48Å; L349-V353 PolarHBondContact O-N 3.09Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 3.14Å; V353-Y356 WeakPolarHBondContact O-CB 3.38Å; V353-Y356 PolarHBondContact O-N 3.36Å; V353-A357 PolarHBondContact O-N 2.85Å; V353-W372 HydrophobicContact CG2-CB 3.81Å; V353-W372 HydrophobicContact CG2-CD2 4.33Å; V353-W372 HydrophobicContact CG2-CE3 3.97Å; V353-W372 HydrophobicContact CG2-CG 4.32Å; V353-K373 HydrophobicContact CG1-CG 4.07Å; V353-F376 HydrophobicContact CB-CD1 3.65Å; V353-F376 HydrophobicContact CB-CD2 4.03Å; V353-F376 HydrophobicContact CB-CE1 3.81Å; V353-F376 HydrophobicContact CB-CE2 4.2Å; V353-F376 HydrophobicContact CB-CG 3.77Å; V353-F376 HydrophobicContact CB-CZ 4.1Å; V353-F376 HydrophobicContact CG1-CB 4.19Å; V353-F376 HydrophobicContact CG1-CD1 4.07Å; V353-F376 HydrophobicContact CG1-CG 3.98Å; V353-F376 HydrophobicContact CG2-CB 4.43Å; V353-F376 HydrophobicContact CG2-CD1 3.88Å; V353-F376 HydrophobicContact CG2-CD2 3.29Å; V353-F376 HydrophobicContact CG2-CE1 3.93Å; V353-F376 HydrophobicContact CG2-CE2 3.38Å; V353-F376 HydrophobicContact CG2-CG 3.57Å; V353-F376 HydrophobicContact CG2-CZ 3.71Å
354S98.2Very high97.2Very high18 Ų1858.9 Ų58.913%0.12631%0.314CS..Hα-helixtrans-58.7-45.6172.5-57.30000110.9A350 K351 W352 A357 V358 K373A350-S354 WeakPolarHBondContact O-CB 3.11Å; A350-S354 PolarHBondContact O-N 3.03Å; A350-S354 PolarHBondContact O-OG 2.95Å; K351-S354 WeakPolarHBondContact O-CB 3.48Å; K351-S354 PolarHBondContact O-N 3.17Å; W352-S354 VanDerWaalsContact C-N 3.33Å; W352-S354 PolarHBondContact O-N 3.41Å; S354-A357 PolarHBondContact O-N 3.29Å; S354-V358 WeakPolarHBondContact O-CG2 3.25Å; S354-V358 PolarHBondContact O-N 3.32Å; S354-K373 WeakPolarHBondContact OG-CE 3.48Å
355L98.4Very high97.5Very high80 Ų8053.7 Ų53.742%0.41929%0.293SS..Hα-helixtrans-74.8-29.9179.5-65173000112.5K351 W352 V353 V358 R359K351-L355 HydrophobicContact CG-CD1 4.19Å; K351-L355 WeakPolarHBondContact O-CG 3.49Å; K351-L355 PolarHBondContact O-N 3.02Å; K351-L355 VanDerWaalsContact O-N 3.13Å; W352-L355 PolarHBondContact O-N 3.02Å; W352-L355 VanDerWaalsContact O-N 3.16Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 3.14Å; L355-V358 PolarHBondContact O-N 3.39Å; L355-R359 VanDerWaalsContact CB-NH1 3.33Å; L355-R359 WeakPolarHBondContact O-CG 3.13Å; L355-R359 PolarHBondContact O-N 3.43Å; L355-R359 PolarHBondContact O-NH1 2.77Å
356Y98.4Very high97.6Very high1 Ų153.7 Ų53.70%0.00430%0.297CS..Hα-helixtrans-58.1-49.1171167-94.4000110.6V332 E335 W352 V353 V358 R359 R360 W372V332-Y356 HydrophobicContact CB-CE1 3.82Å; V332-Y356 HydrophobicContact CB-CE2 4.11Å; V332-Y356 HydrophobicContact CG2-CD1 3.67Å; V332-Y356 HydrophobicContact CG2-CD2 4.07Å; V332-Y356 HydrophobicContact CG2-CE1 3.45Å; V332-Y356 VanDerWaalsContact CG2-CE1 3.45Å; V332-Y356 HydrophobicContact CG2-CE2 3.86Å; V332-Y356 HydrophobicContact CG2-CG 3.97Å; E335-Y356 HydrophobicContact CB-CE2 4.48Å; E335-Y356 HydrophobicContact CG-CE2 4.46Å; E335-Y356 WeakPolarHBondContact OE1-CE2 3.28Å; E335-Y356 WeakPolarHBondContact OE2-CE2 3.5Å; W352-Y356 HydrophobicContact CH2-CD2 4.02Å; W352-Y356 HydrophobicContact CH2-CG 4.3Å; W352-Y356 HydrophobicContact CZ3-CD2 4.41Å; W352-Y356 HydrophobicContact CZ3-CG 4.24Å; W352-Y356 PolarHBondContact O-N 3.28Å; V353-Y356 WeakPolarHBondContact O-CB 3.38Å; V353-Y356 PolarHBondContact O-N 3.36Å; Y356-V358 VanDerWaalsContact C-N 3.3Å; Y356-V358 PolarHBondContact O-N 3.36Å; Y356-R359 PolarHBondContact O-N 3.49Å; Y356-R360 VanDerWaalsContact O-CB 3.24Å; Y356-R360 WeakPolarHBondContact O-CB 3.33Å; Y356-R360 PolarHBondContact O-N 3.31Å; Y356-R360 WeakPolarHBondContact OH-CD 3.34Å; Y356-R360 PolarHBondContact OH-NE 3.49Å; Y356-R360 PolarHBondContact OH-NH1 3.3Å; Y356-W372 HydrophobicContact CD1-CD2 4.32Å; Y356-W372 HydrophobicContact CD1-CE3 4.47Å; Y356-W372 HydrophobicContact CD1-CZ2 4.47Å; Y356-W372 HydrophobicContact CE1-CD2 4.25Å; Y356-W372 AromaticContact CE1-CE2 3.91Å; Y356-W372 HydrophobicContact CE1-CE3 4.27Å; Y356-W372 AromaticContact CE1-CH2 3.72Å; Y356-W372 HydrophobicContact CE1-CH2 3.72Å; Y356-W372 AromaticContact CE1-CZ2 3.66Å; Y356-W372 HydrophobicContact CE1-CZ2 3.66Å; Y356-W372 HydrophobicContact CE1-CZ3 4.02Å
357A97.9Very high97.7Very high2 Ų253.2 Ų53.22%0.01729%0.292CS..Hα-helixtrans-55.3-45.4177.200000112V353 S354 R360 Y361 W372V353-A357 PolarHBondContact O-N 2.85Å; S354-A357 PolarHBondContact O-N 3.29Å; A357-R360 PolarHBondContact O-N 3.36Å; A357-Y361 HydrophobicContact CB-CD2 4.41Å; A357-Y361 HydrophobicContact CB-CE2 4.24Å; A357-Y361 WeakPolarHBondContact O-CD2 3.41Å; A357-Y361 PolarHBondContact O-N 2.8Å; A357-Y361 VanDerWaalsContact O-N 3.08Å; A357-W372 HydrophobicContact CB-CB 4.46Å; A357-W372 HydrophobicContact CB-CG 4.02Å
358V98.1Very high97.7Very high39 Ų3952.6 Ų52.624%0.23629%0.288CS..Hα-helixtrans-61.6-47178.9178.40000111.7S354 L355 Y356 G362 G363 M364S354-V358 WeakPolarHBondContact O-CG2 3.25Å; S354-V358 PolarHBondContact O-N 3.32Å; L355-V358 PolarHBondContact O-N 3.39Å; Y356-V358 VanDerWaalsContact C-N 3.3Å; Y356-V358 PolarHBondContact O-N 3.36Å; V358-G362 WeakPolarHBondContact O-CA 3.27Å; V358-G362 PolarHBondContact O-N 2.8Å; V358-G363 PolarHBondContact O-N 3.11Å; V358-M364 HydrophobicContact CG1-CG 3.87Å; V358-M364 HydrophobicContact CG2-CG 3.78Å
359R97.8Very high97.7Very high132 Ų13248.7 Ų48.750%0.49827%0.267SS..Hα-helixtrans-65.4-43.2178.9-71.1-172.9-62-90.13.1111.7L355 Y356 Y361L355-R359 VanDerWaalsContact CB-NH1 3.33Å; L355-R359 WeakPolarHBondContact O-CG 3.13Å; L355-R359 PolarHBondContact O-N 3.43Å; L355-R359 PolarHBondContact O-NH1 2.77Å; Y356-R359 PolarHBondContact O-N 3.49Å; R359-Y361 VanDerWaalsContact C-N 3.35Å; R359-Y361 PolarHBondContact O-N 2.94Å
360R97.8Very high97.7Very high40 Ų4049.8 Ų49.815%0.15128%0.279CS..Hα-helixtrans-65-36.7-176.5-177164.5179.686.6-0.9113Y356 A357 T433 D437Y356-R360 VanDerWaalsContact O-CB 3.24Å; Y356-R360 WeakPolarHBondContact O-CB 3.33Å; Y356-R360 PolarHBondContact O-N 3.31Å; Y356-R360 WeakPolarHBondContact OH-CD 3.34Å; Y356-R360 PolarHBondContact OH-NE 3.49Å; Y356-R360 PolarHBondContact OH-NH1 3.3Å; A357-R360 PolarHBondContact O-N 3.36Å; R360-T433 HydrophobicContact CG-CG2 4.18Å; R360-T433 WeakPolarHBondContact O-CB 3.49Å; R360-T433 PolarHBondContact O-OG1 2.99Å; R360-D437 WeakPolarHBondContact CD-OD2 3.43Å; R360-D437 IonicContact CZ-OD1 3.68Å; R360-D437 IonicContact CZ-OD2 2.87Å; R360-D437 IonicContact NE-OD1 3.27Å; R360-D437 PolarHBondContact NE-OD1 3.47Å; R360-D437 IonicContact NE-OD2 3.59Å; R360-D437 PolarHBondContact NE-OD2 2.9Å; R360-D437 IonicContact NH2-OD1 3.04Å; R360-D437 PolarHBondContact NH2-OD1 2.81Å; R360-D437 IonicContact NH2-OD2 3.86Å; R360-D437 PolarHBondContact NH2-OD2 3.17Å
361Y97.8Very high97.8Very high3 Ų347.3 Ų47.31%0.01226%0.259CS..Hα-helixtrans-102.2-10.6-177.8-51.1-43.8000113.8A357 R359 G363 L368 W372 F421 K431 F434 D437A357-Y361 HydrophobicContact CB-CD2 4.41Å; A357-Y361 HydrophobicContact CB-CE2 4.24Å; A357-Y361 WeakPolarHBondContact O-CD2 3.41Å; A357-Y361 PolarHBondContact O-N 2.8Å; A357-Y361 VanDerWaalsContact O-N 3.08Å; R359-Y361 VanDerWaalsContact C-N 3.35Å; R359-Y361 PolarHBondContact O-N 2.94Å; Y361-G363 VanDerWaalsContact C-N 3.32Å; Y361-L368 HydrophobicContact CD2-CB 4.42Å; Y361-L368 HydrophobicContact CD2-CD1 3.58Å; Y361-L368 HydrophobicContact CD2-CG 4.44Å; Y361-L368 HydrophobicContact CE2-CB 4.16Å; Y361-L368 HydrophobicContact CE2-CD1 3.76Å; Y361-L368 HydrophobicContact CE2-CD2 4.07Å; Y361-L368 HydrophobicContact CE2-CG 4.2Å; Y361-L368 HydrophobicContact CG-CD1 4.41Å; Y361-W372 AromaticContact CE2-NE1 3.45Å; Y361-W372 AromaticContact CZ-NE1 3.51Å; Y361-W372 PolarHBondContact OH-NE1 3.36Å; Y361-F421 WeakPolarHBondContact OH-CE1 3.39Å; Y361-F421 VanDerWaalsContact OH-CZ 3.25Å; Y361-F421 WeakPolarHBondContact OH-CZ 3.26Å; Y361-K431 WeakPolarHBondContact O-CE 3.39Å; Y361-F434 HydrophobicContact CD1-CB 3.83Å; Y361-F434 HydrophobicContact CD1-CD2 4.15Å; Y361-F434 HydrophobicContact CE1-CB 4Å; Y361-F434 HydrophobicContact CE1-CD2 4Å; Y361-F434 HydrophobicContact CE2-CD2 4.44Å; Y361-F434 HydrophobicContact CG-CD2 4.46Å; Y361-D437 VanDerWaalsContact CE1-OD2 3.23Å; Y361-D437 WeakPolarHBondContact CE1-OD2 3Å; Y361-D437 PolarHBondContact OH-OD2 3.08Å
362G96.4Very high97.8Very high64 Ų6440.8 Ų40.866%0.6623%0.23SC*.THydrogen-bonded Turntrans71.324.1-179.900000113.9V358V358-G362 WeakPolarHBondContact O-CA 3.27Å; V358-G362 PolarHBondContact O-N 2.8Å
363G92.9Very high97.8Very high24 Ų2444.3 Ų44.325%0.24725%0.246CC..SBendtrans-165.7151.1-179.100000112.7V358 Y361V358-G363 PolarHBondContact O-N 3.11Å; Y361-G363 VanDerWaalsContact C-N 3.32Å
364M94.9Very high97.8Very high153 Ų15346.2 Ų46.275%0.75426%0.256SS*.  trans-83.4137.8174.3-69.3-176.569.600110.7V358V358-M364 HydrophobicContact CG1-CG 3.87Å; V358-M364 HydrophobicContact CG2-CG 3.78Å
365N97.8Very high97.8Very high38 Ų3845.4 Ų45.420%0.20325%0.25CS..  trans-154.1129.8173.5178.3-85000109N367 L368 T369 F428N365-N367 WeakPolarHBondContact OD1-CA 3.14Å; N365-N367 VanDerWaalsContact OD1-CB 3.29Å; N365-N367 WeakPolarHBondContact OD1-CB 3.39Å; N365-N367 PolarHBondContact OD1-N 3.15Å; N365-L368 HydrophobicContact CB-CB 4.28Å; N365-L368 HydrophobicContact CB-CD1 4.07Å; N365-L368 HydrophobicContact CB-CG 4.29Å; N365-L368 PolarHBondContact O-N 3.18Å; N365-L368 PolarHBondContact OD1-N 3.33Å; N365-T369 WeakPolarHBondContact O-CB 3.4Å; N365-T369 PolarHBondContact O-N 3.36Å; N365-T369 PolarHBondContact O-OG1 2.92Å; N365-F428 HydrophobicContact CB-CE2 3.69Å; N365-F428 HydrophobicContact CB-CZ 3.82Å
366D98.1Very high97.8Very high128 Ų12841.9 Ų41.968%0.68423%0.232SC*.Hα-helixtrans-68.7-37.3-174.3-66.9-23.6000111.8T369 A370D366-T369 WeakPolarHBondContact O-CB 3.3Å; D366-T369 PolarHBondContact O-N 3.48Å; D366-A370 WeakPolarHBondContact O-CB 3.3Å; D366-A370 PolarHBondContact O-N 3.03Å
367N98.5Very high97.7Very high49 Ų4946.3 Ų46.326%0.26226%0.259SS..Hα-helixtrans-62.7-45.7176.7-70.1-0.5000111.3N365 T369 A370 A371 L420 E423 A424N365-N367 WeakPolarHBondContact OD1-CA 3.14Å; N365-N367 VanDerWaalsContact OD1-CB 3.29Å; N365-N367 WeakPolarHBondContact OD1-CB 3.39Å; N365-N367 PolarHBondContact OD1-N 3.15Å; N367-T369 VanDerWaalsContact C-N 3.33Å; N367-T369 PolarHBondContact O-N 2.99Å; N367-A370 PolarHBondContact O-N 3.39Å; N367-A371 VanDerWaalsContact O-CB 3.32Å; N367-A371 WeakPolarHBondContact O-CB 3.35Å; N367-A371 PolarHBondContact O-N 2.95Å; N367-L420 HydrophobicContact CB-CB 4.13Å; N367-L420 HydrophobicContact CB-CD2 3.91Å; N367-E423 VanDerWaalsContact ND2-CB 3.3Å; N367-E423 WeakPolarHBondContact ND2-CB 3.31Å; N367-E423 PolarHBondContact ND2-OE2 3.37Å; N367-A424 HydrophobicContact CB-CB 4.49Å
368L98.5Very high97.7Very high3 Ų346.4 Ų46.42%0.01626%0.259CS..Hα-helixtrans-67.5-36.3177.9-66171.7000112.2Y361 N365 A371 W372 F421 A424 F428 F434Y361-L368 HydrophobicContact CD2-CB 4.42Å; Y361-L368 HydrophobicContact CD2-CD1 3.58Å; Y361-L368 HydrophobicContact CD2-CG 4.44Å; Y361-L368 HydrophobicContact CE2-CB 4.16Å; Y361-L368 HydrophobicContact CE2-CD1 3.76Å; Y361-L368 HydrophobicContact CE2-CD2 4.07Å; Y361-L368 HydrophobicContact CE2-CG 4.2Å; Y361-L368 HydrophobicContact CG-CD1 4.41Å; N365-L368 HydrophobicContact CB-CB 4.28Å; N365-L368 HydrophobicContact CB-CD1 4.07Å; N365-L368 HydrophobicContact CB-CG 4.29Å; N365-L368 PolarHBondContact O-N 3.18Å; N365-L368 PolarHBondContact OD1-N 3.33Å; L368-A371 PolarHBondContact O-N 2.77Å; L368-W372 WeakPolarHBondContact O-CB 3.09Å; L368-W372 VanDerWaalsContact O-CD1 3.25Å; L368-W372 PolarHBondContact O-N 2.85Å; L368-F421 HydrophobicContact CD2-CD1 3.85Å; L368-F421 HydrophobicContact CD2-CD2 4.37Å; L368-F421 HydrophobicContact CD2-CE1 3.96Å; L368-F421 HydrophobicContact CD2-CE2 4.45Å; L368-F421 HydrophobicContact CD2-CG 4.09Å; L368-F421 HydrophobicContact CD2-CZ 4.27Å; L368-A424 HydrophobicContact CD1-CB 3.92Å; L368-A424 HydrophobicContact CD2-CB 3.84Å; L368-A424 HydrophobicContact CG-CB 3.65Å; L368-F428 HydrophobicContact CD1-CD2 3.76Å; L368-F428 HydrophobicContact CD1-CE2 3.79Å; L368-F428 HydrophobicContact CD1-CG 4.17Å; L368-F428 HydrophobicContact CD1-CZ 4.21Å; L368-F434 HydrophobicContact CD1-CD2 4.21Å; L368-F434 HydrophobicContact CD1-CE2 4Å; L368-F434 HydrophobicContact CD2-CD2 4.38Å; L368-F434 HydrophobicContact CD2-CE2 3.69Å; L368-F434 HydrophobicContact CG-CE2 4.48Å
369T98.3Very high97.7Very high24 Ų2444.6 Ų44.615%0.14725%0.248CC..Hα-helixtrans-61.8-44.8173.4-60.50000111.3N365 D366 N367 K373N365-T369 WeakPolarHBondContact O-CB 3.4Å; N365-T369 PolarHBondContact O-N 3.36Å; N365-T369 PolarHBondContact O-OG1 2.92Å; D366-T369 WeakPolarHBondContact O-CB 3.3Å; D366-T369 PolarHBondContact O-N 3.48Å; N367-T369 VanDerWaalsContact C-N 3.33Å; N367-T369 PolarHBondContact O-N 2.99Å; T369-K373 WeakPolarHBondContact O-CG 3.17Å; T369-K373 PolarHBondContact O-N 3.22Å
370A98.8Very high97.8Very high40 Ų4038.4 Ų38.433%0.33123%0.225SC..Hα-helixtrans-66.9-45.2177.300000112D366 N367 W372 K373 L374 L420D366-A370 WeakPolarHBondContact O-CB 3.3Å; D366-A370 PolarHBondContact O-N 3.03Å; N367-A370 PolarHBondContact O-N 3.39Å; A370-W372 PolarHBondContact O-N 3.42Å; A370-K373 PolarHBondContact O-N 2.75Å; A370-L374 WeakPolarHBondContact O-CG 3.26Å; A370-L374 PolarHBondContact O-N 3.08Å; A370-L420 HydrophobicContact CB-CD1 3.84Å
371A98.8Very high97.8Very high0 Ų038.1 Ų38.10%023%0.227CC..Hα-helixtrans-58.6-47.9178.800000111.7N367 L368 K373 L374 L375 A417 L420 F421N367-A371 VanDerWaalsContact O-CB 3.32Å; N367-A371 WeakPolarHBondContact O-CB 3.35Å; N367-A371 PolarHBondContact O-N 2.95Å; L368-A371 PolarHBondContact O-N 2.77Å; A371-K373 VanDerWaalsContact C-N 3.33Å; A371-K373 PolarHBondContact O-N 2.85Å; A371-L374 WeakPolarHBondContact O-CB 3.33Å; A371-L374 PolarHBondContact O-N 3.21Å; A371-L375 WeakPolarHBondContact O-CG 3.4Å; A371-L375 PolarHBondContact O-N 3.29Å; A371-A417 HydrophobicContact CB-CB 4.17Å; A371-L420 HydrophobicContact CB-CB 3.83Å; A371-L420 HydrophobicContact CB-CD1 4.14Å; A371-F421 HydrophobicContact CB-CD2 3.68Å; A371-F421 HydrophobicContact CB-CE2 3.74Å
372W98.8Very high97.8Very high4 Ų438.3 Ų38.32%0.01523%0.228CC..Hα-helixtrans-65.5-35.1179.2-87.6109.9000113.1V332 V353 Y356 A357 Y361 L368 A370 L375 F376 Y380 F421V332-W372 HydrophobicContact CB-CH2 4.35Å; V332-W372 HydrophobicContact CB-CZ3 4.06Å; V332-W372 HydrophobicContact CG1-CZ3 3.98Å; V332-W372 HydrophobicContact CG2-CZ3 4.1Å; V353-W372 HydrophobicContact CG2-CB 3.81Å; V353-W372 HydrophobicContact CG2-CD2 4.33Å; V353-W372 HydrophobicContact CG2-CE3 3.97Å; V353-W372 HydrophobicContact CG2-CG 4.32Å; Y356-W372 HydrophobicContact CD1-CD2 4.32Å; Y356-W372 HydrophobicContact CD1-CE3 4.47Å; Y356-W372 HydrophobicContact CD1-CZ2 4.47Å; Y356-W372 HydrophobicContact CE1-CD2 4.25Å; Y356-W372 AromaticContact CE1-CE2 3.91Å; Y356-W372 HydrophobicContact CE1-CE3 4.27Å; Y356-W372 AromaticContact CE1-CH2 3.72Å; Y356-W372 HydrophobicContact CE1-CH2 3.72Å; Y356-W372 AromaticContact CE1-CZ2 3.66Å; Y356-W372 HydrophobicContact CE1-CZ2 3.66Å; Y356-W372 HydrophobicContact CE1-CZ3 4.02Å; A357-W372 HydrophobicContact CB-CB 4.46Å; A357-W372 HydrophobicContact CB-CG 4.02Å; Y361-W372 AromaticContact CE2-NE1 3.45Å; Y361-W372 AromaticContact CZ-NE1 3.51Å; Y361-W372 PolarHBondContact OH-NE1 3.36Å; L368-W372 WeakPolarHBondContact O-CB 3.09Å; L368-W372 VanDerWaalsContact O-CD1 3.25Å; L368-W372 PolarHBondContact O-N 2.85Å; A370-W372 PolarHBondContact O-N 3.42Å; W372-L375 HydrophobicContact CE3-CD1 4.23Å; W372-L375 HydrophobicContact CZ3-CD1 4.37Å; W372-F376 HydrophobicContact CE3-CD2 4.38Å; W372-F376 HydrophobicContact CE3-CE2 4.4Å; W372-F376 WeakPolarHBondContact O-CB 3.44Å; W372-F376 PolarHBondContact O-N 2.78Å; W372-Y380 AromaticContact CZ3-CE2 3.85Å; W372-Y380 HydrophobicContact CZ3-CE2 3.85Å; W372-F421 AromaticContact CE2-CZ 4Å; W372-F421 HydrophobicContact CZ2-CZ 4.22Å; W372-F421 AromaticContact NE1-CZ 3.77Å
373K98.7Very high97.7Very high88 Ų8840.2 Ų40.238%0.38323%0.227SC..Hα-helixtrans-62.4-46.4171.4-73.9174.4-173.51760111.3V353 S354 T369 A370 A371 L375 F376 T377V353-K373 HydrophobicContact CG1-CG 4.07Å; S354-K373 WeakPolarHBondContact OG-CE 3.48Å; T369-K373 WeakPolarHBondContact O-CG 3.17Å; T369-K373 PolarHBondContact O-N 3.22Å; A370-K373 PolarHBondContact O-N 2.75Å; A371-K373 VanDerWaalsContact C-N 3.33Å; A371-K373 PolarHBondContact O-N 2.85Å; K373-L375 PolarHBondContact O-N 2.86Å; K373-F376 PolarHBondContact O-N 3.31Å; K373-T377 PolarHBondContact O-N 3.49Å; K373-T377 PolarHBondContact O-OG1 3.01Å; K373-T377 VanDerWaalsContact O-OG1 3.13Å
374L98.8Very high97.8Very high41 Ų4143 Ų4322%0.21524%0.236CC..Hα-helixtrans-58.3-47.9176.7-72.3169000111.3A370 A371 F376 T377 S378 D413 E416 A417 L420A370-L374 WeakPolarHBondContact O-CG 3.26Å; A370-L374 PolarHBondContact O-N 3.08Å; A371-L374 WeakPolarHBondContact O-CB 3.33Å; A371-L374 PolarHBondContact O-N 3.21Å; L374-F376 VanDerWaalsContact C-N 3.3Å; L374-F376 PolarHBondContact O-N 3.12Å; L374-T377 PolarHBondContact O-N 3.25Å; L374-T377 PolarHBondContact O-OG1 3.17Å; L374-S378 VanDerWaalsContact O-CB 3.31Å; L374-S378 WeakPolarHBondContact O-CB 3.42Å; L374-S378 PolarHBondContact O-N 2.64Å; L374-S378 PolarHBondContact O-OG 3.47Å; L374-D413 HydrophobicContact CD2-CB 4.46Å; L374-E416 HydrophobicContact CD1-CB 4.04Å; L374-E416 HydrophobicContact CD1-CG 3.86Å; L374-A417 HydrophobicContact CB-CB 4.29Å; L374-A417 HydrophobicContact CD1-CB 4.5Å; L374-L420 HydrophobicContact CD1-CD1 3.96Å
375L98.8Very high97.5Very high0 Ų041.6 Ų41.60%024%0.237CC..Hα-helixtrans-60.7-40.4177.1-64.8175000111.6F295 A371 W372 K373 S378 V379 Y380 L414 A417 F421 V441F295-L375 HydrophobicContact CD2-CD2 4.27Å; F295-L375 HydrophobicContact CE2-CD1 4.46Å; F295-L375 HydrophobicContact CE2-CD2 4.15Å; A371-L375 WeakPolarHBondContact O-CG 3.4Å; A371-L375 PolarHBondContact O-N 3.29Å; W372-L375 HydrophobicContact CE3-CD1 4.23Å; W372-L375 HydrophobicContact CZ3-CD1 4.37Å; K373-L375 PolarHBondContact O-N 2.86Å; L375-S378 PolarHBondContact O-N 2.72Å; L375-V379 HydrophobicContact CB-CG2 4.06Å; L375-V379 HydrophobicContact CD2-CG2 3.84Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 2.84Å; L375-Y380 HydrophobicContact CB-CD2 3.82Å; L375-Y380 HydrophobicContact CB-CE2 3.96Å; L375-Y380 WeakPolarHBondContact O-CD2 3.06Å; L375-Y380 PolarHBondContact O-N 3.03Å; L375-L414 HydrophobicContact CD2-CD1 3.92Å; L375-A417 HydrophobicContact CD2-CB 3.78Å; L375-A417 HydrophobicContact CG-CB 3.86Å; L375-F421 HydrophobicContact CD1-CE2 4.03Å; L375-V441 HydrophobicContact CD1-CG2 4.31Å
376F98Very high97Very high7 Ų741 Ų413%0.03124%0.241CC..Hα-helixtrans-66.6-33.8177.9-102.3-126.7000113.9V299 V332 L349 W352 V353 W372 K373 L374 Y380 N381V299-F376 HydrophobicContact CB-CE1 4.39Å; V299-F376 HydrophobicContact CG1-CD1 4.16Å; V299-F376 HydrophobicContact CG1-CE1 3.81Å; V299-F376 HydrophobicContact CG1-CE2 4.5Å; V299-F376 HydrophobicContact CG1-CZ 3.97Å; V299-F376 HydrophobicContact CG2-CD1 4.38Å; V332-F376 HydrophobicContact CB-CE2 4.28Å; V332-F376 HydrophobicContact CG1-CE2 3.88Å; V332-F376 HydrophobicContact CG1-CZ 4.41Å; V332-F376 HydrophobicContact CG2-CE2 3.41Å; V332-F376 VanDerWaalsContact CG2-CE2 3.41Å; V332-F376 HydrophobicContact CG2-CZ 3.53Å; L349-F376 HydrophobicContact CB-CD1 4.44Å; L349-F376 HydrophobicContact CD2-CE1 4.37Å; W352-F376 AromaticContact CE3-CE1 3.92Å; W352-F376 HydrophobicContact CE3-CE1 3.92Å; W352-F376 HydrophobicContact CE3-CZ 4.05Å; W352-F376 AromaticContact CZ3-CE1 3.98Å; W352-F376 HydrophobicContact CZ3-CE1 3.98Å; W352-F376 AromaticContact CZ3-CZ 3.62Å; W352-F376 HydrophobicContact CZ3-CZ 3.62Å; V353-F376 HydrophobicContact CB-CD1 3.65Å; V353-F376 HydrophobicContact CB-CD2 4.03Å; V353-F376 HydrophobicContact CB-CE1 3.81Å; V353-F376 HydrophobicContact CB-CE2 4.2Å; V353-F376 HydrophobicContact CB-CG 3.77Å; V353-F376 HydrophobicContact CB-CZ 4.1Å; V353-F376 HydrophobicContact CG1-CB 4.19Å; V353-F376 HydrophobicContact CG1-CD1 4.07Å; V353-F376 HydrophobicContact CG1-CG 3.98Å; V353-F376 HydrophobicContact CG2-CB 4.43Å; V353-F376 HydrophobicContact CG2-CD1 3.88Å; V353-F376 HydrophobicContact CG2-CD2 3.29Å; V353-F376 HydrophobicContact CG2-CE1 3.93Å; V353-F376 HydrophobicContact CG2-CE2 3.38Å; V353-F376 HydrophobicContact CG2-CG 3.57Å; V353-F376 HydrophobicContact CG2-CZ 3.71Å; W372-F376 HydrophobicContact CE3-CD2 4.38Å; W372-F376 HydrophobicContact CE3-CE2 4.4Å; W372-F376 WeakPolarHBondContact O-CB 3.44Å; W372-F376 PolarHBondContact O-N 2.78Å; K373-F376 PolarHBondContact O-N 3.31Å; L374-F376 VanDerWaalsContact C-N 3.3Å; L374-F376 PolarHBondContact O-N 3.12Å; F376-Y380 AromaticContact CD2-CD2 3.96Å; F376-Y380 HydrophobicContact CD2-CD2 3.96Å; F376-Y380 HydrophobicContact CD2-CG 4.4Å; F376-Y380 HydrophobicContact CE2-CD2 4.19Å; F376-Y380 HydrophobicContact CE2-CG 4.46Å; F376-N381 VanDerWaalsContact O-CB 3.27Å; F376-N381 WeakPolarHBondContact O-CB 3.18Å
377T97.4Very high96.7Very high94 Ų9437.1 Ų37.158%0.57722%0.217SC*.Hα-helixtrans-86-11178.154.20000113.2K373 L374K373-T377 PolarHBondContact O-N 3.49Å; K373-T377 PolarHBondContact O-OG1 3.01Å; K373-T377 VanDerWaalsContact O-OG1 3.13Å; L374-T377 PolarHBondContact O-N 3.25Å; L374-T377 PolarHBondContact O-OG1 3.17Å
378S98Very high96.3Very high4 Ų437.2 Ų37.23%0.02822%0.219CC..THydrogen-bonded Turntrans-116.4-98.9-176.762.60000112L374 L375 Y380 N381L374-S378 VanDerWaalsContact O-CB 3.31Å; L374-S378 WeakPolarHBondContact O-CB 3.42Å; L374-S378 PolarHBondContact O-N 2.64Å; L374-S378 PolarHBondContact O-OG 3.47Å; L375-S378 PolarHBondContact O-N 2.72Å; S378-Y380 PolarHBondContact O-N 3.39Å; S378-Y380 VanDerWaalsContact O-N 3.14Å; S378-N381 PolarHBondContact O-N 2.89Å
379V97.8Very high95.8Very high0 Ų037.7 Ų37.70%022%0.222CC..THydrogen-bonded Turntrans-56.6-34-172.5-58.60000113.5F295 G297 L375 W408 Y409 L414F295-V379 HydrophobicContact CB-CB 3.82Å; F295-V379 HydrophobicContact CB-CG1 4.44Å; F295-V379 HydrophobicContact CB-CG2 3.73Å; F295-V379 HydrophobicContact CD2-CG2 3.9Å; F295-V379 HydrophobicContact CG-CG2 4.17Å; G297-V379 PolarHBondContact N-O 3Å; L375-V379 HydrophobicContact CB-CG2 4.06Å; L375-V379 HydrophobicContact CD2-CG2 3.84Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 2.84Å; V379-W408 PolarHBondContact O-NE1 2.86Å; V379-W408 VanDerWaalsContact O-NE1 3.1Å; V379-Y409 HydrophobicContact CB-CD1 4.37Å; V379-Y409 HydrophobicContact CB-CE1 4.35Å; V379-Y409 HydrophobicContact CG1-CD1 3.94Å; V379-Y409 HydrophobicContact CG1-CD2 3.71Å; V379-Y409 HydrophobicContact CG1-CE1 3.75Å; V379-Y409 HydrophobicContact CG1-CE2 3.54Å; V379-Y409 HydrophobicContact CG1-CG 3.92Å; V379-L414 HydrophobicContact CG1-CB 4.44Å; V379-L414 HydrophobicContact CG1-CD1 4.38Å
380Y98.7Very high95.5Very high3 Ų338.2 Ų38.21%0.01222%0.222CC..THydrogen-bonded Turntrans-90.52.7179.9-68.9-65.2000114F295 F296 G297 T298 V299 N330 V332 I333 W372 L375 F376 S378F295-Y380 WeakPolarHBondContact CD1-OH 3.18Å; F295-Y380 WeakPolarHBondContact CE1-OH 3.41Å; F296-Y380 WeakPolarHBondContact O-CD1 3.3Å; G297-Y380 VanDerWaalsContact C-C 3.49Å; G297-Y380 CarbonylContact C-O 3.6Å; G297-Y380 VanDerWaalsContact CA-O 3.31Å; G297-Y380 WeakPolarHBondContact CA-O 3.44Å; G297-Y380 CarbonylContact O-C 3.56Å; T298-Y380 PolarHBondContact N-O 3.05Å; V299-Y380 WeakPolarHBondContact CG1-O 3.26Å; V299-Y380 WeakPolarHBondContact CG2-O 3.42Å; V299-Y380 PolarHBondContact N-O 2.85Å; N330-Y380 HydrophobicContact CB-CE1 4.22Å; N330-Y380 VanDerWaalsContact OD1-CE1 3.26Å; N330-Y380 WeakPolarHBondContact OD1-CE1 3.45Å; V332-Y380 HydrophobicContact CG1-CD1 4.26Å; V332-Y380 HydrophobicContact CG1-CD2 4.49Å; V332-Y380 HydrophobicContact CG1-CE1 3.78Å; V332-Y380 HydrophobicContact CG1-CE2 4.09Å; I333-Y380 HydrophobicContact CD1-CD1 3.68Å; I333-Y380 HydrophobicContact CD1-CE1 4.35Å; I333-Y380 HydrophobicContact CD1-CG 4.27Å; I333-Y380 HydrophobicContact CG1-CD1 3.79Å; I333-Y380 HydrophobicContact CG1-CE1 4.02Å; W372-Y380 AromaticContact CZ3-CE2 3.85Å; W372-Y380 HydrophobicContact CZ3-CE2 3.85Å; L375-Y380 HydrophobicContact CB-CD2 3.82Å; L375-Y380 HydrophobicContact CB-CE2 3.96Å; L375-Y380 WeakPolarHBondContact O-CD2 3.06Å; L375-Y380 PolarHBondContact O-N 3.03Å; F376-Y380 AromaticContact CD2-CD2 3.96Å; F376-Y380 HydrophobicContact CD2-CD2 3.96Å; F376-Y380 HydrophobicContact CD2-CG 4.4Å; F376-Y380 HydrophobicContact CE2-CD2 4.19Å; F376-Y380 HydrophobicContact CE2-CG 4.46Å; S378-Y380 PolarHBondContact O-N 3.39Å; S378-Y380 VanDerWaalsContact O-N 3.14Å
381N97.9Very high95.3Very high34 Ų3436.9 Ų36.918%0.18221%0.21CC..BIsolated β-bridgetrans-124.661.9179.2-166.737000112.5G297 V299 E300 F376 S378 T383G297-N381 PolarHBondContact O-N 3.41Å; V299-N381 HydrophobicContact CG2-CB 3.91Å; E300-N381 VanDerWaalsContact CG-OD1 3.31Å; E300-N381 WeakPolarHBondContact CG-OD1 3.23Å; F376-N381 VanDerWaalsContact O-CB 3.27Å; F376-N381 WeakPolarHBondContact O-CB 3.18Å; S378-N381 PolarHBondContact O-N 2.89Å; N381-T383 PolarHBondContact O-N 2.75Å
382C97.5Very high95.2Very high6 Ų640.2 Ų40.24%0.04123%0.225CC..  trans-66.6122.3166.7-169.60000109.8F296 G297 T298 Y387 W408F296-C382 HydrophobicContact CD2-CB 4.28Å; F296-C382 HydrophobicContact CE2-CB 3.63Å; F296-C382 HydrophobicContact CZ-CB 4.39Å; G297-C382 WeakPolarHBondContact O-CB 3.44Å; G297-C382 PolarHBondContact O-N 3.29Å; T298-C382 HydrophobicContact CG2-CB 4.19Å; T298-C382 WeakPolarHBondContact CG2-O 3.24Å; C382-Y387 VanDerWaalsContact SG-CG 3.55Å; C382-W408 VanDerWaalsContact CA-CD1 3.49Å; C382-W408 HydrophobicContact CB-CD2 4.28Å; C382-W408 HydrophobicContact CB-CG 3.91Å
383T95.1Very high95.2Very high105 Ų10540.6 Ų40.664%0.64423%0.228SC*.  trans-110.43.7178.256.60000112.7N381 P385N381-T383 PolarHBondContact O-N 2.75Å; T383-P385 VanDerWaalsContact O-CD 3.32Å; T383-P385 WeakPolarHBondContact O-CD 3.49Å
384I94.5Very high95.2Very high83 Ų8336.4 Ų36.443%0.42621%0.21SC..SBendtrans-70.1119.4178-58.7177000108.3Y387 W408I384-Y387 HydrophobicContact CB-CD2 4.04Å; I384-Y387 HydrophobicContact CD1-CD2 4.05Å; I384-Y387 HydrophobicContact CD1-CE2 4.33Å; I384-Y387 HydrophobicContact CG2-CD2 4.13Å; I384-Y387 WeakPolarHBondContact O-CB 3.1Å; I384-Y387 PolarHBondContact O-N 2.85Å; I384-W408 HydrophobicContact CD1-CB 3.64Å; I384-W408 HydrophobicContact CG1-CB 4.3Å
385P88.4Confident95.2Very high122 Ų12234.5 Ų34.579%0.79220%0.2SC*.THydrogen-bonded Turntrans-60.1137.8-179.8-24.535.1000112.2T383 Y387T383-P385 VanDerWaalsContact O-CD 3.32Å; T383-P385 WeakPolarHBondContact O-CD 3.49Å; P385-Y387 PolarHBondContact O-N 3.04Å
386G86.8Confident95.1Very high26 Ų2634.5 Ų34.527%0.26820%0.2SC..THydrogen-bonded Turntrans64.918.5178.800000114.9A266 V388A266-G386 PolarHBondContact O-N 2.86Å; G386-V388 PolarHBondContact O-N 3.01Å; G386-V388 VanDerWaalsContact O-N 3.12Å
387Y91.9Very high95.2Very high46 Ų4636.3 Ų36.318%0.1821%0.207CC..  trans-65.8112.2-178.8-168.9-83.7000111.8F263 F296 C382 I384 P385 W408F263-Y387 WeakPolarHBondContact CZ-O 3.46Å; F296-Y387 HydrophobicContact CD2-CD1 4.28Å; F296-Y387 HydrophobicContact CD2-CE1 4.18Å; F296-Y387 AromaticContact CE2-CD1 3.47Å; F296-Y387 HydrophobicContact CE2-CD1 3.47Å; F296-Y387 VanDerWaalsContact CE2-CD1 3.47Å; F296-Y387 AromaticContact CE2-CE1 3.83Å; F296-Y387 HydrophobicContact CE2-CE1 3.83Å; F296-Y387 HydrophobicContact CE2-CG 4.47Å; F296-Y387 HydrophobicContact CZ-CD1 4.11Å; C382-Y387 VanDerWaalsContact SG-CG 3.55Å; I384-Y387 HydrophobicContact CB-CD2 4.04Å; I384-Y387 HydrophobicContact CD1-CD2 4.05Å; I384-Y387 HydrophobicContact CD1-CE2 4.33Å; I384-Y387 HydrophobicContact CG2-CD2 4.13Å; I384-Y387 WeakPolarHBondContact O-CB 3.1Å; I384-Y387 PolarHBondContact O-N 2.85Å; P385-Y387 PolarHBondContact O-N 3.04Å; Y387-W408 HydrophobicContact CE1-CE3 4.01Å; Y387-W408 AromaticContact CE1-CZ3 3.94Å; Y387-W408 HydrophobicContact CE1-CZ3 3.94Å; Y387-W408 HydrophobicContact CE2-CE3 4.03Å; Y387-W408 AromaticContact CZ-CE3 3.49Å; Y387-W408 VanDerWaalsContact CZ-CE3 3.49Å; Y387-W408 AromaticContact CZ-CZ3 3.64Å; Y387-W408 VanDerWaalsContact OH-CE3 3.24Å; Y387-W408 WeakPolarHBondContact OH-CZ3 3.26Å
388V90.3Very high95.2Very high51 Ų5134.2 Ų34.231%0.30919%0.188SC..  trans-87.5112.7176.8-171.10000109.7F263 F289 G386 H390F263-V388 HydrophobicContact CE1-CG2 4.2Å; F289-V388 HydrophobicContact CD1-CG1 4.27Å; F289-V388 HydrophobicContact CD2-CG1 3.86Å; F289-V388 HydrophobicContact CE1-CG1 3.97Å; F289-V388 HydrophobicContact CE2-CB 4.47Å; F289-V388 HydrophobicContact CE2-CG1 3.53Å; F289-V388 HydrophobicContact CG-CG1 4.22Å; F289-V388 HydrophobicContact CZ-CG1 3.58Å; G386-V388 PolarHBondContact O-N 3.01Å; G386-V388 VanDerWaalsContact O-N 3.12Å; V388-H390 WeakPolarHBondContact CG1-CD2 3.33Å; V388-H390 WeakPolarHBondContact CG1-NE2 3.45Å; V388-H390 PolarHBondContact O-N 2.94Å
389N88.6Confident95.2Very high14 Ų1434 Ų348%0.07519%0.187CC..  trans-77.163.7-177.1-179.240.3000113.7N287 F289 F296N287-N389 WeakPolarHBondContact O-CB 3.39Å; N287-N389 PolarHBondContact O-ND2 3.41Å; F289-N389 HydrophobicContact CD2-CB 4.39Å; F296-N389 HydrophobicContact CB-CB 4.45Å; F296-N389 VanDerWaalsContact CB-CG 3.41Å; F296-N389 VanDerWaalsContact CB-ND2 3.28Å; F296-N389 WeakPolarHBondContact CB-ND2 3.38Å; F296-N389 VanDerWaalsContact CB-OD1 3.31Å; F296-N389 WeakPolarHBondContact CB-OD1 3.48Å; F296-N389 HydrophobicContact CD1-CB 3.45Å; F296-N389 VanDerWaalsContact CD1-CB 3.45Å; F296-N389 WeakPolarHBondContact CD1-ND2 3.29Å; F296-N389 HydrophobicContact CD2-CB 3.83Å; F296-N389 HydrophobicContact CE1-CB 3.46Å; F296-N389 VanDerWaalsContact CE1-CB 3.46Å; F296-N389 HydrophobicContact CE2-CB 3.85Å; F296-N389 HydrophobicContact CG-CB 3.63Å; F296-N389 WeakPolarHBondContact CG-ND2 3.49Å; F296-N389 VanDerWaalsContact CG-OD1 3.3Å; F296-N389 WeakPolarHBondContact CG-OD1 3.23Å; F296-N389 HydrophobicContact CZ-CB 3.66Å
390H91.2Very high95.3Very high35 Ų3535.1 Ų35.116%0.16220%0.195CC..  trans-89.5130.5161.1-67-73.3000109.3F289 V388 H392 Y536F289-H390 WeakPolarHBondContact CB-CE1 3.36Å; F289-H390 VanDerWaalsContact CB-ND1 3.26Å; F289-H390 WeakPolarHBondContact CB-ND1 3.18Å; F289-H390 AromaticContact CD1-CE1 3.75Å; F289-H390 AromaticContact CD1-NE2 3.88Å; F289-H390 AromaticContact CG-CE1 3.6Å; F289-H390 AromaticContact CG-NE2 3.89Å; V388-H390 WeakPolarHBondContact CG1-CD2 3.33Å; V388-H390 WeakPolarHBondContact CG1-NE2 3.45Å; V388-H390 PolarHBondContact O-N 2.94Å; H390-H392 WeakPolarHBondContact CB-CD2 3.49Å; H390-H392 WeakPolarHBondContact CB-NE2 3.43Å; H390-H392 AromaticContact CG-NE2 3.96Å; H390-H392 PolarHBondContact O-CD2 2.79Å; H390-H392 PolarHBondContact O-N 3.08Å; H390-Y536 AromaticContact CE1-CE2 3.26Å; H390-Y536 WeakPolarHBondContact CE1-CE2 3.35Å; H390-Y536 AromaticContact CE1-CZ 3.44Å; H390-Y536 VanDerWaalsContact CE1-CZ 3.44Å; H390-Y536 PolarHBondContact CE1-OH 3.48Å; H390-Y536 AromaticContact ND1-CE2 3.92Å
391N96.4Very high95.2Very high12 Ų1238.4 Ų38.46%0.06421%0.209CC..  trans-68.6103.2172-168.1-20.9000109.4N292 N293 S393 V396 R397 Q447 N538 Q540N292-N391 HydrophobicContact CB-CB 4Å; N292-N391 PolarHBondContact ND2-N 3.45Å; N293-N391 PolarHBondContact O-ND2 3.21Å; N391-S393 VanDerWaalsContact OD1-CB 3.24Å; N391-S393 WeakPolarHBondContact OD1-CB 3.33Å; N391-S393 PolarHBondContact OD1-N 2.85Å; N391-S393 PolarHBondContact OD1-OG 3.19Å; N391-V396 HydrophobicContact CB-CG2 4.2Å; N391-V396 WeakPolarHBondContact O-CG2 3.1Å; N391-V396 WeakPolarHBondContact OD1-CG2 3.1Å; N391-R397 PolarHBondContact O-NE 3.23Å; N391-R397 PolarHBondContact O-NH2 2.85Å; N391-R397 VanDerWaalsContact O-NH2 3.09Å; N391-Q447 PolarHBondContact ND2-OE1 3.05Å; N391-N538 PolarHBondContact O-ND2 2.55Å; N391-Q540 PolarHBondContact ND2-NE2 3.11Å
392H96Very high95.1Very high69 Ų6948 Ų4832%0.31924%0.243SC..  trans-106.612.8178.4-76.5-159.8000111.6H390 R397H390-H392 WeakPolarHBondContact CB-CD2 3.49Å; H390-H392 WeakPolarHBondContact CB-NE2 3.43Å; H390-H392 AromaticContact CG-NE2 3.96Å; H390-H392 PolarHBondContact O-CD2 2.79Å; H390-H392 PolarHBondContact O-N 3.08Å; H392-R397 VanDerWaalsContact CD2-CZ 3.5Å; H392-R397 PolarHBondContact CD2-NH2 3.37Å; H392-R397 PolarHBondContact NE2-NH2 2.78Å; H392-R397 VanDerWaalsContact NE2-NH2 3.19Å
393S97.8Very high95Very high13 Ų1348.9 Ų48.99%0.09125%0.247CC..  trans-61.4153.2179.467.80000111.3N391 L395 V396 R397 Q447N391-S393 VanDerWaalsContact OD1-CB 3.24Å; N391-S393 WeakPolarHBondContact OD1-CB 3.33Å; N391-S393 PolarHBondContact OD1-N 2.85Å; N391-S393 PolarHBondContact OD1-OG 3.19Å; S393-L395 PolarHBondContact O-N 3.07Å; S393-L395 VanDerWaalsContact O-N 3.12Å; S393-V396 PolarHBondContact O-N 2.74Å; S393-R397 WeakPolarHBondContact O-CG 3.08Å; S393-R397 PolarHBondContact O-N 3.43Å; S393-Q447 VanDerWaalsContact OG-CD 3.29Å; S393-Q447 WeakPolarHBondContact OG-CG 3.35Å
394P98.6Very high94.9Very high0 Ų051.5 Ų51.50%025%0.245CC..G310 helixtrans-57.5-30179.4-27.739000113.7V396 M403 R404 T405 S451 Y454 W553P394-V396 VanDerWaalsContact C-N 3.27Å; P394-V396 PolarHBondContact O-N 3.29Å; P394-M403 VanDerWaalsContact CA-CE 3.42Å; P394-M403 HydrophobicContact CB-CE 3.74Å; P394-M403 HydrophobicContact CB-SD 3.95Å; P394-M403 HydrophobicContact CG-CB 4.16Å; P394-R404 WeakPolarHBondContact CD-O 3.49Å; P394-T405 HydrophobicContact CG-CG2 3.95Å; P394-S451 WeakPolarHBondContact CD-OG 3.18Å; P394-Y454 HydrophobicContact CB-CD1 4.42Å; P394-Y454 HydrophobicContact CB-CG 4.24Å; P394-Y454 HydrophobicContact CG-CD1 3.99Å; P394-Y454 HydrophobicContact CG-CG 4.31Å; P394-W553 HydrophobicContact CB-CH2 4.21Å; P394-W553 HydrophobicContact CB-CZ2 3.74Å; P394-W553 WeakPolarHBondContact O-CZ2 3.31Å; P394-W553 PolarHBondContact O-NE1 3.32Å
395L98.7Very high94.9Very high0 Ų049.6 Ų49.60%024%0.237CC..G310 helixtrans-51.7-44.9177.8175.161.3000113S393 Q447 T450 L481 L484 Q540 I545S393-L395 PolarHBondContact O-N 3.07Å; S393-L395 VanDerWaalsContact O-N 3.12Å; L395-Q447 HydrophobicContact CB-CG 4.24Å; L395-Q447 HydrophobicContact CD2-CB 3.93Å; L395-Q447 HydrophobicContact CD2-CG 4.08Å; L395-T450 HydrophobicContact CB-CG2 3.96Å; L395-T450 HydrophobicContact CD1-CG2 4.4Å; L395-L481 HydrophobicContact CD1-CD2 3.36Å; L395-L484 HydrophobicContact CD1-CD2 3.73Å; L395-L484 HydrophobicContact CD2-CD2 3.77Å; L395-L484 HydrophobicContact CG-CD2 4.4Å; L395-Q540 HydrophobicContact CD2-CG 4.05Å; L395-I545 HydrophobicContact CD1-CD1 4.47Å
396V98.5Very high95.1Very high0 Ų048.6 Ų48.60%023%0.225CC..G310 helixtrans-105.6-0.3-168.2-610000114N391 S393 P394 D535 N538 Q540 Y549N391-V396 HydrophobicContact CB-CG2 4.2Å; N391-V396 WeakPolarHBondContact O-CG2 3.1Å; N391-V396 WeakPolarHBondContact OD1-CG2 3.1Å; S393-V396 PolarHBondContact O-N 2.74Å; P394-V396 VanDerWaalsContact C-N 3.27Å; P394-V396 PolarHBondContact O-N 3.29Å; V396-D535 WeakPolarHBondContact O-CB 3.4Å; V396-D535 VanDerWaalsContact O-CG 3.3Å; V396-N538 HydrophobicContact CB-CB 3.9Å; V396-N538 HydrophobicContact CG1-CB 4.42Å; V396-N538 HydrophobicContact CG2-CB 4.33Å; V396-Q540 HydrophobicContact CG1-CG 3.89Å; V396-Y549 HydrophobicContact CB-CE1 4.08Å; V396-Y549 VanDerWaalsContact O-CE1 3.3Å; V396-Y549 WeakPolarHBondContact O-CE1 3.47Å
397R98.4Very high95.5Very high45 Ų4550.3 Ų50.317%0.1723%0.228CC..SBendtrans-110.5153.6-176.1-65.3-61175.5168.1-5.1111.9N391 H392 S393 P399 M403 L534 D535N391-R397 PolarHBondContact O-NE 3.23Å; N391-R397 PolarHBondContact O-NH2 2.85Å; N391-R397 VanDerWaalsContact O-NH2 3.09Å; H392-R397 VanDerWaalsContact CD2-CZ 3.5Å; H392-R397 PolarHBondContact CD2-NH2 3.37Å; H392-R397 PolarHBondContact NE2-NH2 2.78Å; H392-R397 VanDerWaalsContact NE2-NH2 3.19Å; S393-R397 WeakPolarHBondContact O-CG 3.08Å; S393-R397 PolarHBondContact O-N 3.43Å; R397-P399 WeakPolarHBondContact O-CD 3.41Å; R397-M403 HydrophobicContact CB-CE 3.95Å; R397-L534 PolarHBondContact NH1-O 3.05Å; R397-L534 VanDerWaalsContact NH1-O 3.07Å; R397-D535 PolarHBondContact NH1-O 3.06Å; R397-D535 PolarHBondContact NH2-O 2.89Å
398R98.5Very high95.7Very high51 Ų5150.4 Ų50.419%0.19223%0.228CC..  trans-53.1123.2173.1-162.4179.4-84168.82.8110.3S400 L534 D535 F575 N576 V579 E583R398-S400 PolarHBondContact O-N 3.48Å; R398-L534 HydrophobicContact CB-CD2 3.99Å; R398-L534 VanDerWaalsContact NE-CD2 3.33Å; R398-L534 VanDerWaalsContact NH2-CD2 3.34Å; R398-D535 PolarHBondContact N-OD2 3.38Å; R398-F575 HydrophobicContact CG-CE1 4.26Å; R398-N576 WeakPolarHBondContact CD-OD1 3.41Å; R398-V579 HydrophobicContact CG-CG1 3.95Å; R398-E583 IonicContact CZ-OE1 3.98Å; R398-E583 IonicContact CZ-OE2 2.78Å; R398-E583 IonicContact NE-OE1 2.88Å; R398-E583 PolarHBondContact NE-OE1 3.23Å; R398-E583 IonicContact NE-OE2 3.48Å; R398-E583 PolarHBondContact NE-OE2 3.45Å; R398-E583 IonicContact NH2-OE1 3.87Å; R398-E583 IonicContact NH2-OE2 2.83Å; R398-E583 PolarHBondContact NH2-OE2 2.65Å
399P98.6Very high96Very high0 Ų048.7 Ų48.70%022%0.216CC..  trans-56.2136.2178.7-28.436.4000112.8R397 R552 W553 F556 Q572 F575R397-P399 WeakPolarHBondContact O-CD 3.41Å; P399-R552 HydrophobicContact CG-CB 4.3Å; P399-W553 HydrophobicContact CB-CD2 4.45Å; P399-W553 HydrophobicContact CB-CE3 4.2Å; P399-W553 HydrophobicContact CB-CH2 4.32Å; P399-W553 HydrophobicContact CB-CZ3 4.14Å; P399-W553 HydrophobicContact CG-CD2 3.78Å; P399-W553 HydrophobicContact CG-CE3 4.01Å; P399-W553 HydrophobicContact CG-CG 4.16Å; P399-W553 HydrophobicContact CG-CH2 4.49Å; P399-W553 HydrophobicContact CG-CZ2 4.29Å; P399-W553 HydrophobicContact CG-CZ3 4.36Å; P399-F556 HydrophobicContact CB-CB 3.58Å; P399-F556 HydrophobicContact CB-CD1 3.71Å; P399-F556 HydrophobicContact CB-CD2 3.69Å; P399-F556 HydrophobicContact CB-CE1 4.27Å; P399-F556 HydrophobicContact CB-CE2 4.26Å; P399-F556 HydrophobicContact CB-CG 3.37Å; P399-F556 HydrophobicContact CG-CB 4Å; P399-F556 HydrophobicContact CG-CG 4.31Å; P399-Q572 PolarHBondContact O-NE2 2.83Å; P399-F575 HydrophobicContact CB-CE1 4.25Å; P399-F575 HydrophobicContact CB-CZ 4.1Å; P399-F575 HydrophobicContact CG-CZ 4.36Å; P399-F575 VanDerWaalsContact O-CE1 3.22Å; P399-F575 WeakPolarHBondContact O-CE1 3.47Å
400S98.1Very high96.4Very high23 Ų2354.4 Ų54.416%0.16124%0.242CC..  trans-161173.7174.670.80000109.5R398 R402 M403 Y454 Q572R398-S400 PolarHBondContact O-N 3.48Å; S400-R402 PolarHBondContact O-N 2.98Å; S400-R402 PolarHBondContact OG-N 3.05Å; S400-M403 VanDerWaalsContact O-CG 3.25Å; S400-M403 WeakPolarHBondContact O-CG 3.31Å; S400-Y454 WeakPolarHBondContact O-CE2 3.22Å; S400-Y454 PolarHBondContact O-OH 3.11Å; S400-Q572 VanDerWaalsContact CB-OE1 3.26Å
401F97.5Very high96.7Very high71 Ų7154.1 Ų54.131%0.31124%0.243SC..SBendtrans-847.2171.6-69.9-70.6000114.2Y454 A458 F461 F556 L560 Y570F401-Y454 VanDerWaalsContact C-OH 3.23Å; F401-Y454 PolarHBondContact O-OH 3.16Å; F401-A458 HydrophobicContact CD1-CB 4.02Å; F401-A458 HydrophobicContact CE1-CB 4.18Å; F401-F461 HydrophobicContact CE1-CB 4.31Å; F401-F461 AromaticContact CE1-CD1 3.87Å; F401-F461 HydrophobicContact CE1-CD1 3.87Å; F401-F461 HydrophobicContact CE1-CG 4.37Å; F401-F461 HydrophobicContact CE2-CD1 4.02Å; F401-F461 HydrophobicContact CE2-CE1 4.03Å; F401-F461 HydrophobicContact CZ-CB 4.26Å; F401-F461 AromaticContact CZ-CD1 3.25Å; F401-F461 HydrophobicContact CZ-CD1 3.25Å; F401-F461 AromaticContact CZ-CE1 3.71Å; F401-F461 HydrophobicContact CZ-CE1 3.71Å; F401-F461 AromaticContact CZ-CG 3.86Å; F401-F461 HydrophobicContact CZ-CG 3.86Å; F401-F556 HydrophobicContact CE1-CZ 4.33Å; F401-F556 HydrophobicContact CE2-CZ 4.3Å; F401-F556 HydrophobicContact CZ-CZ 4.14Å; F401-L560 HydrophobicContact CE1-CD1 4.28Å; F401-L560 HydrophobicContact CE2-CD2 3.81Å; F401-L560 HydrophobicContact CZ-CD1 3.83Å; F401-L560 HydrophobicContact CZ-CD2 3.49Å; F401-L560 VanDerWaalsContact CZ-CD2 3.49Å; F401-L560 HydrophobicContact CZ-CG 4.31Å; F401-Y570 AromaticContact CD2-CD1 3.73Å; F401-Y570 HydrophobicContact CD2-CD1 3.73Å; F401-Y570 AromaticContact CD2-CE1 3.79Å; F401-Y570 HydrophobicContact CD2-CE1 3.79Å; F401-Y570 AromaticContact CE2-CD1 3.42Å; F401-Y570 HydrophobicContact CE2-CD1 3.42Å; F401-Y570 VanDerWaalsContact CE2-CD1 3.42Å; F401-Y570 HydrophobicContact CE2-CD2 4.45Å; F401-Y570 AromaticContact CE2-CE1 3.75Å; F401-Y570 HydrophobicContact CE2-CE1 3.75Å; F401-Y570 AromaticContact CE2-CG 3.79Å; F401-Y570 HydrophobicContact CE2-CG 3.79Å
402R94.9Very high96.8Very high237 Ų23755.3 Ų55.389%0.89426%0.255SS*.SBendtrans-123.437.9-176.7-60.4-175.5-174.8-179.61.8111.7S400S400-R402 PolarHBondContact O-N 2.98Å; S400-R402 PolarHBondContact OG-N 3.05Å
403M96.8Very high96.9Very high24 Ų2454.5 Ų54.512%0.11825%0.253CS..  trans-84.2147.4-180-51-179.488.600111.1P394 R397 S400 Y454 W553P394-M403 VanDerWaalsContact CA-CE 3.42Å; P394-M403 HydrophobicContact CB-CE 3.74Å; P394-M403 HydrophobicContact CB-SD 3.95Å; P394-M403 HydrophobicContact CG-CB 4.16Å; R397-M403 HydrophobicContact CB-CE 3.95Å; S400-M403 VanDerWaalsContact O-CG 3.25Å; S400-M403 WeakPolarHBondContact O-CG 3.31Å; M403-Y454 HydrophobicContact CB-CD1 4.39Å; M403-Y454 HydrophobicContact CB-CE1 3.77Å; M403-Y454 HydrophobicContact CB-CE2 4.24Å; M403-Y454 HydrophobicContact CG-CE1 4.41Å; M403-Y454 HydrophobicContact CG-CE2 3.98Å; M403-Y454 PolarHBondContact N-OH 3.21Å; M403-Y454 HydrophobicContact SD-CD2 3.77Å; M403-Y454 HydrophobicContact SD-CE2 3.67Å; M403-Y454 HydrophobicContact SD-CG 4.27Å; M403-W553 HydrophobicContact CE-CH2 4.22Å; M403-W553 HydrophobicContact CE-CZ2 3.86Å; M403-W553 HydrophobicContact SD-CH2 3.65Å; M403-W553 HydrophobicContact SD-CZ2 3.93Å
404R91.5Very high97Very high160 Ų16053.9 Ų53.960%0.60425%0.248SC*.  trans-82.4131.2175.6-69.3-171.9-172.1178.70.7110P394 D406P394-R404 WeakPolarHBondContact CD-O 3.49Å; R404-D406 WeakPolarHBondContact CB-OD1 3.44Å
405T94.9Very high97Very high43 Ų4354.1 Ų54.126%0.26425%0.249SC..  trans-128.23.4178.759.80000112P394 Y454 Q455P394-T405 HydrophobicContact CG-CG2 3.95Å; T405-Y454 HydrophobicContact CG2-CD1 3.59Å; T405-Y454 HydrophobicContact CG2-CE1 3.72Å; T405-Q455 HydrophobicContact CG2-CG 4.19Å; T405-Q455 PolarHBondContact OG1-NE2 3.03Å; T405-Q455 VanDerWaalsContact OG1-NE2 3.09Å
406D93Very high97Very high101 Ų10157 Ų5754%0.5426%0.263SS..  trans-66.4144.5177.753.6-66.5000111.3R404R404-D406 WeakPolarHBondContact CB-OD1 3.44Å
407L95.1Very high97Very high62 Ų6257 Ų5733%0.32526%0.263SS..  trans-127144176-61.4172.6000107.8Y409 P411 V448L407-Y409 HydrophobicContact CB-CD1 4.33Å; L407-Y409 HydrophobicContact CB-CE1 4.27Å; L407-Y409 HydrophobicContact CD1-CE2 4.3Å; L407-Y409 HydrophobicContact CD2-CE1 3.95Å; L407-Y409 PolarHBondContact O-N 3.05Å; L407-P411 HydrophobicContact CD1-CG 3.7Å; L407-V448 HydrophobicContact CD1-CG1 4.21Å; L407-V448 HydrophobicContact CD1-CG2 4.26Å
408W95.9Very high97Very high48 Ų4854.8 Ų54.818%0.18226%0.255CS..SBendtrans-866.7174.663.285.8000112.8F295 F296 V379 C382 I384 Y387F295-W408 WeakPolarHBondContact O-CZ2 3.24Å; F296-W408 HydrophobicContact CB-CH2 4.35Å; F296-W408 HydrophobicContact CB-CZ2 4.16Å; F296-W408 AromaticContact CD2-CH2 3.9Å; F296-W408 HydrophobicContact CD2-CH2 3.9Å; F296-W408 AromaticContact CD2-CZ2 3.65Å; F296-W408 HydrophobicContact CD2-CZ2 3.65Å; F296-W408 HydrophobicContact CG-CZ2 4.4Å; V379-W408 PolarHBondContact O-NE1 2.86Å; V379-W408 VanDerWaalsContact O-NE1 3.1Å; C382-W408 VanDerWaalsContact CA-CD1 3.49Å; C382-W408 HydrophobicContact CB-CD2 4.28Å; C382-W408 HydrophobicContact CB-CG 3.91Å; I384-W408 HydrophobicContact CD1-CB 3.64Å; I384-W408 HydrophobicContact CG1-CB 4.3Å; Y387-W408 HydrophobicContact CE1-CE3 4.01Å; Y387-W408 AromaticContact CE1-CZ3 3.94Å; Y387-W408 HydrophobicContact CE1-CZ3 3.94Å; Y387-W408 HydrophobicContact CE2-CE3 4.03Å; Y387-W408 AromaticContact CZ-CE3 3.49Å; Y387-W408 VanDerWaalsContact CZ-CE3 3.49Å; Y387-W408 AromaticContact CZ-CZ3 3.64Å; Y387-W408 VanDerWaalsContact OH-CE3 3.24Å; Y387-W408 WeakPolarHBondContact OH-CZ3 3.26Å
409Y97.2Very high97Very high15 Ų1555 Ų556%0.05926%0.257CS..SBendtrans-143.6158.9-173.865.4-93.2000110.5V379 L407 P411 L414 Q444 V448V379-Y409 HydrophobicContact CB-CD1 4.37Å; V379-Y409 HydrophobicContact CB-CE1 4.35Å; V379-Y409 HydrophobicContact CG1-CD1 3.94Å; V379-Y409 HydrophobicContact CG1-CD2 3.71Å; V379-Y409 HydrophobicContact CG1-CE1 3.75Å; V379-Y409 HydrophobicContact CG1-CE2 3.54Å; V379-Y409 HydrophobicContact CG1-CG 3.92Å; L407-Y409 HydrophobicContact CB-CD1 4.33Å; L407-Y409 HydrophobicContact CB-CE1 4.27Å; L407-Y409 HydrophobicContact CD1-CE2 4.3Å; L407-Y409 HydrophobicContact CD2-CE1 3.95Å; L407-Y409 PolarHBondContact O-N 3.05Å; Y409-P411 WeakPolarHBondContact O-CD 3.47Å; Y409-L414 HydrophobicContact CE2-CB 4.19Å; Y409-L414 HydrophobicContact CE2-CD2 4.23Å; Y409-Q444 PolarHBondContact OH-NE2 2.88Å; Y409-Q444 VanDerWaalsContact OH-NE2 3.14Å; Y409-V448 WeakPolarHBondContact OH-CG2 3.14Å
410E97.1Very high97.1Very high134 Ų13455.7 Ų55.763%0.62626%0.26SS*.  trans-77.1122.1176.1-67.7-58.5147.100110.9A412 D413E410-A412 PolarHBondContact O-N 3.25Å; E410-A412 VanDerWaalsContact O-N 3.1Å; E410-D413 PolarHBondContact O-N 2.75Å; E410-D413 VanDerWaalsContact O-N 3.17Å
411P97.6Very high97.1Very high28 Ų2854.6 Ų54.618%0.18225%0.253CS..Hα-helixtrans-58.7-25.8179.9-25.334.4000114L407 Y409 D413 L414 F415 V448 L620L407-P411 HydrophobicContact CD1-CG 3.7Å; Y409-P411 WeakPolarHBondContact O-CD 3.47Å; P411-D413 VanDerWaalsContact C-N 3.29Å; P411-D413 PolarHBondContact O-N 3.08Å; P411-L414 PolarHBondContact O-N 3.49Å; P411-F415 HydrophobicContact CB-CE2 3.93Å; P411-F415 HydrophobicContact CB-CZ 3.96Å; P411-F415 WeakPolarHBondContact O-CD2 3.44Å; P411-F415 VanDerWaalsContact O-CG 3.27Å; P411-F415 WeakPolarHBondContact O-CG 3.43Å; P411-F415 PolarHBondContact O-N 3.43Å; P411-V448 HydrophobicContact CB-CG1 4.39Å; P411-L620 HydrophobicContact CB-CD2 4.1Å
412A98.3Very high97.1Very high38 Ų3851.7 Ų51.731%0.31424%0.24SC..Hα-helixtrans-57.1-40.3177.600000112.7E410 L414 F415 E416 L620E410-A412 PolarHBondContact O-N 3.25Å; E410-A412 VanDerWaalsContact O-N 3.1Å; A412-L414 VanDerWaalsContact C-N 3.35Å; A412-L414 PolarHBondContact O-N 3.04Å; A412-F415 PolarHBondContact O-N 2.79Å; A412-E416 PolarHBondContact O-N 3.31Å; A412-L620 HydrophobicContact CB-CD1 3.72Å; A412-L620 HydrophobicContact CB-CD2 4.34Å
413D98.6Very high97.3Very high51 Ų5145.1 Ų45.127%0.27322%0.22SC..Hα-helixtrans-65.8-40179.8-70.4-17.7000111.5L374 E410 P411 A417L374-D413 HydrophobicContact CD2-CB 4.46Å; E410-D413 PolarHBondContact O-N 2.75Å; E410-D413 VanDerWaalsContact O-N 3.17Å; P411-D413 VanDerWaalsContact C-N 3.29Å; P411-D413 PolarHBondContact O-N 3.08Å; D413-A417 VanDerWaalsContact O-CB 3.29Å; D413-A417 WeakPolarHBondContact O-CB 3.35Å; D413-A417 PolarHBondContact O-N 3.39Å
414L98.8Very high97.4Very high0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-66.1-43175.417466.5000111.3F295 L375 V379 Y409 P411 A412 A417 W418 Q444 V445 V448F295-L414 HydrophobicContact CD2-CD1 4.19Å; F295-L414 HydrophobicContact CE2-CD1 4.28Å; L375-L414 HydrophobicContact CD2-CD1 3.92Å; V379-L414 HydrophobicContact CG1-CB 4.44Å; V379-L414 HydrophobicContact CG1-CD1 4.38Å; Y409-L414 HydrophobicContact CE2-CB 4.19Å; Y409-L414 HydrophobicContact CE2-CD2 4.23Å; P411-L414 PolarHBondContact O-N 3.49Å; A412-L414 VanDerWaalsContact C-N 3.35Å; A412-L414 PolarHBondContact O-N 3.04Å; L414-A417 PolarHBondContact O-N 3.05Å; L414-W418 WeakPolarHBondContact O-CB 3.45Å; L414-W418 PolarHBondContact O-N 3.48Å; L414-Q444 HydrophobicContact CD1-CB 4.27Å; L414-Q444 HydrophobicContact CD1-CG 3.94Å; L414-Q444 HydrophobicContact CD2-CB 4.36Å; L414-Q444 HydrophobicContact CD2-CG 3.63Å; L414-Q444 HydrophobicContact CG-CG 4.45Å; L414-V445 HydrophobicContact CD1-CG2 4.34Å; L414-V445 HydrophobicContact CD2-CG2 4.1Å; L414-V445 HydrophobicContact CG-CG2 3.9Å; L414-V448 HydrophobicContact CD2-CG2 3.85Å
415F98.8Very high97.7Very high5 Ų536.4 Ų36.42%0.02219%0.186CC..Hα-helixtrans-67.9-41-179.5-60.7-19.5000111.7P411 A412 W418 K419 V445 V448 Y613 A616 M617 L620P411-F415 HydrophobicContact CB-CE2 3.93Å; P411-F415 HydrophobicContact CB-CZ 3.96Å; P411-F415 WeakPolarHBondContact O-CD2 3.44Å; P411-F415 VanDerWaalsContact O-CG 3.27Å; P411-F415 WeakPolarHBondContact O-CG 3.43Å; P411-F415 PolarHBondContact O-N 3.43Å; A412-F415 PolarHBondContact O-N 2.79Å; F415-W418 WeakPolarHBondContact O-CB 3.39Å; F415-W418 PolarHBondContact O-N 3.36Å; F415-K419 PolarHBondContact O-N 3.05Å; F415-V445 HydrophobicContact CD1-CB 4.49Å; F415-V445 HydrophobicContact CD1-CG1 3.91Å; F415-V445 HydrophobicContact CD1-CG2 3.94Å; F415-V445 HydrophobicContact CE1-CB 4.43Å; F415-V445 HydrophobicContact CE1-CG1 3.76Å; F415-V445 HydrophobicContact CE1-CG2 4.28Å; F415-V448 HydrophobicContact CE1-CB 4.41Å; F415-V448 HydrophobicContact CE1-CG1 4.17Å; F415-V448 HydrophobicContact CZ-CG1 3.85Å; F415-Y613 HydrophobicContact CB-CE2 4.27Å; F415-Y613 WeakPolarHBondContact O-CE2 3.3Å; F415-A616 HydrophobicContact CD1-CB 4.34Å; F415-A616 HydrophobicContact CD2-CB 3.77Å; F415-A616 HydrophobicContact CE1-CB 4.25Å; F415-A616 HydrophobicContact CE2-CB 3.68Å; F415-A616 HydrophobicContact CG-CB 4.13Å; F415-A616 HydrophobicContact CZ-CB 3.93Å; F415-M617 HydrophobicContact CB-SD 4.22Å; F415-L620 HydrophobicContact CD2-CD1 3.96Å; F415-L620 HydrophobicContact CD2-CD2 4.25Å; F415-L620 HydrophobicContact CD2-CG 4.21Å; F415-L620 HydrophobicContact CE2-CD2 4.04Å; F415-L620 HydrophobicContact CE2-CG 4.27Å
416E98.8Very high97.8Very high60 Ų6038.4 Ų38.428%0.2820%0.199SC..Hα-helixtrans-66.1-41.2174.4-174.661.6-161.200111.2L374 A412 W418 K419 L420L374-E416 HydrophobicContact CD1-CB 4.04Å; L374-E416 HydrophobicContact CD1-CG 3.86Å; A412-E416 PolarHBondContact O-N 3.31Å; E416-W418 VanDerWaalsContact C-N 3.29Å; E416-W418 PolarHBondContact O-N 3.19Å; E416-K419 PolarHBondContact O-N 3.44Å; E416-K419 IonicContact OE1-NZ 3.32Å; E416-K419 PolarHBondContact OE1-NZ 2.92Å; E416-K419 IonicContact OE2-NZ 2.72Å; E416-K419 PolarHBondContact OE2-NZ 3.29Å; E416-L420 HydrophobicContact CG-CD1 4.28Å; E416-L420 VanDerWaalsContact O-CG 3.32Å; E416-L420 WeakPolarHBondContact O-CG 3.29Å; E416-L420 PolarHBondContact O-N 2.97Å
417A98.9Very high98Very high0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-57.7-43.4172.500000111.5A371 L374 L375 D413 L414 K419 L420 F421A371-A417 HydrophobicContact CB-CB 4.17Å; L374-A417 HydrophobicContact CB-CB 4.29Å; L374-A417 HydrophobicContact CD1-CB 4.5Å; L375-A417 HydrophobicContact CD2-CB 3.78Å; L375-A417 HydrophobicContact CG-CB 3.86Å; D413-A417 VanDerWaalsContact O-CB 3.29Å; D413-A417 WeakPolarHBondContact O-CB 3.35Å; D413-A417 PolarHBondContact O-N 3.39Å; L414-A417 PolarHBondContact O-N 3.05Å; A417-K419 PolarHBondContact O-N 3.35Å; A417-L420 PolarHBondContact O-N 3.4Å; A417-F421 WeakPolarHBondContact O-CD2 3.45Å; A417-F421 PolarHBondContact O-N 3.03Å
418W98.9Very high98.1Very high0 Ų035.9 Ų35.90%019%0.192CC..Hα-helixtrans-59.7-45.6176.4179.737.8000112.7L414 F415 E416 L420 F421 M422 V441 T442 V445 I608 F609 Y613L414-W418 WeakPolarHBondContact O-CB 3.45Å; L414-W418 PolarHBondContact O-N 3.48Å; F415-W418 WeakPolarHBondContact O-CB 3.39Å; F415-W418 PolarHBondContact O-N 3.36Å; E416-W418 VanDerWaalsContact C-N 3.29Å; E416-W418 PolarHBondContact O-N 3.19Å; W418-L420 PolarHBondContact O-N 2.99Å; W418-F421 WeakPolarHBondContact O-CB 3.37Å; W418-F421 PolarHBondContact O-N 3.09Å; W418-M422 WeakPolarHBondContact O-CG 3.46Å; W418-M422 PolarHBondContact O-N 2.89Å; W418-V441 HydrophobicContact CB-CG1 3.75Å; W418-V441 HydrophobicContact CG-CG1 4.13Å; W418-T442 HydrophobicContact CZ2-CG2 4Å; W418-T442 PolarHBondContact NE1-OG1 2.89Å; W418-V445 HydrophobicContact CB-CG2 3.84Å; W418-V445 HydrophobicContact CD2-CB 4.23Å; W418-V445 HydrophobicContact CD2-CG1 4.24Å; W418-V445 HydrophobicContact CD2-CG2 3.81Å; W418-V445 HydrophobicContact CE3-CB 4.08Å; W418-V445 HydrophobicContact CE3-CG1 3.6Å; W418-V445 HydrophobicContact CE3-CG2 3.81Å; W418-V445 HydrophobicContact CG-CG2 3.87Å; W418-V445 HydrophobicContact CH2-CG1 4.11Å; W418-V445 HydrophobicContact CZ3-CB 4.36Å; W418-V445 HydrophobicContact CZ3-CG1 3.52Å; W418-I608 HydrophobicContact CH2-CG2 4.4Å; W418-I608 HydrophobicContact CZ2-CG2 4.08Å; W418-F609 AromaticContact CD2-CD2 3.78Å; W418-F609 HydrophobicContact CD2-CD2 3.78Å; W418-F609 HydrophobicContact CD2-CE2 4.26Å; W418-F609 AromaticContact CE2-CD2 3.62Å; W418-F609 AromaticContact CE3-CD2 3.99Å; W418-F609 HydrophobicContact CE3-CD2 3.99Å; W418-F609 HydrophobicContact CE3-CE2 4.3Å; W418-F609 HydrophobicContact CG-CD2 4.44Å; W418-F609 HydrophobicContact CH2-CB 4.28Å; W418-F609 AromaticContact CH2-CD2 3.96Å; W418-F609 HydrophobicContact CH2-CD2 3.96Å; W418-F609 VanDerWaalsContact CZ2-CA 3.45Å; W418-F609 HydrophobicContact CZ2-CB 3.78Å; W418-F609 AromaticContact CZ2-CD2 3.73Å; W418-F609 HydrophobicContact CZ2-CD2 3.73Å; W418-F609 HydrophobicContact CZ2-CG 4.25Å; W418-F609 HydrophobicContact CZ3-CD2 4.07Å; W418-Y613 AromaticContact CE3-CD2 3.72Å; W418-Y613 HydrophobicContact CE3-CD2 3.72Å; W418-Y613 AromaticContact CZ3-CD2 3.91Å; W418-Y613 HydrophobicContact CZ3-CD2 3.91Å; W418-Y613 HydrophobicContact CZ3-CG 4.36Å
419K98.9Very high98.1Very high55 Ų5535.1 Ų35.124%0.23919%0.191CC..Hα-helixtrans-57.7-47173.9171.4-178.8149.7-132.40111.8F415 E416 A417 F421 M422 E423 F609 Y613F415-K419 PolarHBondContact O-N 3.05Å; E416-K419 PolarHBondContact O-N 3.44Å; E416-K419 IonicContact OE1-NZ 3.32Å; E416-K419 PolarHBondContact OE1-NZ 2.92Å; E416-K419 IonicContact OE2-NZ 2.72Å; E416-K419 PolarHBondContact OE2-NZ 3.29Å; A417-K419 PolarHBondContact O-N 3.35Å; K419-F421 VanDerWaalsContact C-N 3.32Å; K419-F421 PolarHBondContact O-N 3.41Å; K419-M422 WeakPolarHBondContact O-CB 3.49Å; K419-M422 PolarHBondContact O-N 3.31Å; K419-M422 VanDerWaalsContact O-N 3.11Å; K419-E423 WeakPolarHBondContact CE-OE1 3.3Å; K419-E423 HydrophobicContact CG-CG 4.5Å; K419-E423 WeakPolarHBondContact O-CG 3.1Å; K419-E423 PolarHBondContact O-N 2.84Å; K419-F609 HydrophobicContact CB-CE2 3.99Å; K419-F609 HydrophobicContact CB-CZ 4.05Å; K419-F609 HydrophobicContact CG-CZ 4.11Å; K419-Y613 HydrophobicContact CB-CE2 3.81Å; K419-Y613 HydrophobicContact CD-CE1 4.13Å; K419-Y613 WeakPolarHBondContact CD-OH 3.29Å
420L98.9Very high98.1Very high14 Ų1439.2 Ų39.27%0.07322%0.222CC..Hα-helixtrans-63.2-37179.8-69.2170.5000112.5N367 A370 A371 L374 E416 A417 W418 A424N367-L420 HydrophobicContact CB-CB 4.13Å; N367-L420 HydrophobicContact CB-CD2 3.91Å; A370-L420 HydrophobicContact CB-CD1 3.84Å; A371-L420 HydrophobicContact CB-CB 3.83Å; A371-L420 HydrophobicContact CB-CD1 4.14Å; L374-L420 HydrophobicContact CD1-CD1 3.96Å; E416-L420 HydrophobicContact CG-CD1 4.28Å; E416-L420 VanDerWaalsContact O-CG 3.32Å; E416-L420 WeakPolarHBondContact O-CG 3.29Å; E416-L420 PolarHBondContact O-N 2.97Å; A417-L420 PolarHBondContact O-N 3.4Å; W418-L420 PolarHBondContact O-N 2.99Å; L420-A424 WeakPolarHBondContact O-CB 3.45Å; L420-A424 PolarHBondContact O-N 2.96Å; L420-A424 VanDerWaalsContact O-N 3.12Å
421F98.8Very high98.1Very high0 Ų037.1 Ų37.10%021%0.211CC..Hα-helixtrans-62.2-45.4170.8-95.8-93.4000111.8Y361 L368 A371 W372 L375 A417 W418 K419 E423 A424 A425 F434 D437 L438 V441Y361-F421 WeakPolarHBondContact OH-CE1 3.39Å; Y361-F421 VanDerWaalsContact OH-CZ 3.25Å; Y361-F421 WeakPolarHBondContact OH-CZ 3.26Å; L368-F421 HydrophobicContact CD2-CD1 3.85Å; L368-F421 HydrophobicContact CD2-CD2 4.37Å; L368-F421 HydrophobicContact CD2-CE1 3.96Å; L368-F421 HydrophobicContact CD2-CE2 4.45Å; L368-F421 HydrophobicContact CD2-CG 4.09Å; L368-F421 HydrophobicContact CD2-CZ 4.27Å; A371-F421 HydrophobicContact CB-CD2 3.68Å; A371-F421 HydrophobicContact CB-CE2 3.74Å; W372-F421 AromaticContact CE2-CZ 4Å; W372-F421 HydrophobicContact CZ2-CZ 4.22Å; W372-F421 AromaticContact NE1-CZ 3.77Å; L375-F421 HydrophobicContact CD1-CE2 4.03Å; A417-F421 WeakPolarHBondContact O-CD2 3.45Å; A417-F421 PolarHBondContact O-N 3.03Å; W418-F421 WeakPolarHBondContact O-CB 3.37Å; W418-F421 PolarHBondContact O-N 3.09Å; K419-F421 VanDerWaalsContact C-N 3.32Å; K419-F421 PolarHBondContact O-N 3.41Å; F421-E423 PolarHBondContact O-N 2.66Å; F421-A424 PolarHBondContact O-N 3.49Å; F421-A425 PolarHBondContact O-N 2.65Å; F421-F434 AromaticContact CD1-CE2 3.85Å; F421-F434 HydrophobicContact CD1-CE2 3.85Å; F421-F434 HydrophobicContact CD1-CZ 4.24Å; F421-F434 HydrophobicContact CE1-CE2 4.25Å; F421-D437 HydrophobicContact CE1-CB 3.7Å; F421-D437 HydrophobicContact CZ-CB 4.18Å; F421-L438 HydrophobicContact CB-CD1 4.18Å; F421-V441 HydrophobicContact CD2-CG2 4.06Å; F421-V441 HydrophobicContact CE1-CG2 4.4Å; F421-V441 HydrophobicContact CE2-CG2 3.93Å; F421-V441 HydrophobicContact CG-CG2 4.37Å; F421-V441 HydrophobicContact CZ-CG2 4.09Å
422M98.7Very high98.1Very high10 Ų1041 Ų415%0.04923%0.227CC..Hα-helixtrans-63.2-39.8178.1-72-59.4-4600112.7W418 K419 A424 A425 L438 Y602 A605 H606 F609W418-M422 WeakPolarHBondContact O-CG 3.46Å; W418-M422 PolarHBondContact O-N 2.89Å; K419-M422 WeakPolarHBondContact O-CB 3.49Å; K419-M422 PolarHBondContact O-N 3.31Å; K419-M422 VanDerWaalsContact O-N 3.11Å; M422-A424 VanDerWaalsContact C-N 3.33Å; M422-A424 PolarHBondContact O-N 2.91Å; M422-A425 WeakPolarHBondContact O-CB 3.34Å; M422-A425 PolarHBondContact O-N 3.39Å; M422-L438 HydrophobicContact SD-CD1 3.7Å; M422-Y602 HydrophobicContact CE-CE2 4.28Å; M422-A605 HydrophobicContact SD-CB 4.19Å; M422-H606 VanDerWaalsContact CE-CA 3.47Å; M422-H606 HydrophobicContact CE-CB 3.8Å; M422-F609 HydrophobicContact CB-CD1 4.46Å; M422-F609 HydrophobicContact CB-CD2 4.23Å; M422-F609 HydrophobicContact CB-CE2 4.31Å; M422-F609 HydrophobicContact CB-CG 4.3Å; M422-F609 HydrophobicContact CB-CZ 4.47Å; M422-F609 HydrophobicContact CE-CB 4.14Å; M422-F609 HydrophobicContact CE-CG 4.48Å; M422-F609 HydrophobicContact CG-CB 4.02Å; M422-F609 HydrophobicContact CG-CD1 4.32Å; M422-F609 HydrophobicContact CG-CD2 3.55Å; M422-F609 HydrophobicContact CG-CE2 4.04Å; M422-F609 HydrophobicContact CG-CG 3.7Å; M422-F609 HydrophobicContact SD-CB 4.17Å; M422-F609 HydrophobicContact SD-CG 4.48Å
423E98.6Very high98.1Very high100 Ų10041.6 Ų41.647%0.46723%0.226SC..Hα-helixtrans-65.4-35.2175.7-72.2176.6-178.100112.5N367 K419 F421N367-E423 VanDerWaalsContact ND2-CB 3.3Å; N367-E423 WeakPolarHBondContact ND2-CB 3.31Å; N367-E423 PolarHBondContact ND2-OE2 3.37Å; K419-E423 WeakPolarHBondContact CE-OE1 3.3Å; K419-E423 HydrophobicContact CG-CG 4.5Å; K419-E423 WeakPolarHBondContact O-CG 3.1Å; K419-E423 PolarHBondContact O-N 2.84Å; F421-E423 PolarHBondContact O-N 2.66Å
424A98.3Very high98.1Very high1 Ų139.1 Ų39.11%0.00821%0.213CC..Hα-helixtrans-78.2-22.9176.900000113.1N367 L368 L420 F421 M422 P426 S427 F428N367-A424 HydrophobicContact CB-CB 4.49Å; L368-A424 HydrophobicContact CD1-CB 3.92Å; L368-A424 HydrophobicContact CD2-CB 3.84Å; L368-A424 HydrophobicContact CG-CB 3.65Å; L420-A424 WeakPolarHBondContact O-CB 3.45Å; L420-A424 PolarHBondContact O-N 2.96Å; L420-A424 VanDerWaalsContact O-N 3.12Å; F421-A424 PolarHBondContact O-N 3.49Å; M422-A424 VanDerWaalsContact C-N 3.33Å; M422-A424 PolarHBondContact O-N 2.91Å; A424-P426 VanDerWaalsContact C-CD 3.48Å; A424-S427 PolarHBondContact O-N 2.86Å; A424-S427 VanDerWaalsContact O-N 3.11Å; A424-F428 HydrophobicContact CB-CD2 4.32Å; A424-F428 WeakPolarHBondContact O-CD2 3.13Å
425A97.9Very high98.1Very high0 Ų041.8 Ų41.80%023%0.225CC..Hα-helixtrans-52.4-46.1-16800000115.5F421 M422 S427 F428 M429 F434 L438 Y602F421-A425 PolarHBondContact O-N 2.65Å; M422-A425 WeakPolarHBondContact O-CB 3.34Å; M422-A425 PolarHBondContact O-N 3.39Å; A425-S427 PolarHBondContact O-N 2.94Å; A425-F428 PolarHBondContact O-N 3.45Å; A425-M429 HydrophobicContact CB-SD 4.41Å; A425-M429 VanDerWaalsContact O-CG 3.32Å; A425-M429 WeakPolarHBondContact O-CG 3.44Å; A425-M429 PolarHBondContact O-N 2.89Å; A425-F434 VanDerWaalsContact CA-CE1 3.49Å; A425-F434 VanDerWaalsContact CA-CZ 3.43Å; A425-F434 HydrophobicContact CB-CE1 3.71Å; A425-F434 HydrophobicContact CB-CZ 3.8Å; A425-L438 HydrophobicContact CB-CD2 4.16Å; A425-Y602 HydrophobicContact CB-CD2 3.8Å; A425-Y602 HydrophobicContact CB-CE2 3.69Å
426P96.6Very high98.1Very high84 Ų8442.6 Ų42.655%0.54523%0.228SC..Hα-helixtrans-52-31.3-179.4-28.436.1000114.3A424 Y602A424-P426 VanDerWaalsContact C-CD 3.48Å; P426-Y602 HydrophobicContact CG-CE2 4.4Å
427S96.8Very high98.1Very high90 Ų9040 Ų4063%0.62922%0.217SC*.Hα-helixtrans-86.4-19.6-178.3-61.20000114.2A424 A425A424-S427 PolarHBondContact O-N 2.86Å; A424-S427 VanDerWaalsContact O-N 3.11Å; A425-S427 PolarHBondContact O-N 2.94Å
428F97.6Very high98.1Very high20 Ų2040 Ų409%0.08822%0.217CC..Hα-helixtrans-121.6-2.5-168.7-69.6-82.7000114.9N365 L368 A424 A425 S430 K431 F434N365-F428 HydrophobicContact CB-CE2 3.69Å; N365-F428 HydrophobicContact CB-CZ 3.82Å; L368-F428 HydrophobicContact CD1-CD2 3.76Å; L368-F428 HydrophobicContact CD1-CE2 3.79Å; L368-F428 HydrophobicContact CD1-CG 4.17Å; L368-F428 HydrophobicContact CD1-CZ 4.21Å; A424-F428 HydrophobicContact CB-CD2 4.32Å; A424-F428 WeakPolarHBondContact O-CD2 3.13Å; A425-F428 PolarHBondContact O-N 3.45Å; F428-S430 PolarHBondContact O-N 3.17Å; F428-K431 HydrophobicContact CD1-CG 4.46Å; F428-K431 WeakPolarHBondContact O-CB 3.35Å; F428-K431 PolarHBondContact O-N 3.38Å; F428-F434 HydrophobicContact CB-CB 4Å; F428-F434 HydrophobicContact CB-CD1 3.7Å; F428-F434 HydrophobicContact CB-CD2 3.55Å; F428-F434 HydrophobicContact CB-CE1 4.09Å; F428-F434 HydrophobicContact CB-CE2 3.94Å; F428-F434 HydrophobicContact CB-CG 3.43Å; F428-F434 VanDerWaalsContact CB-CG 3.43Å; F428-F434 HydrophobicContact CB-CZ 4.2Å; F428-F434 HydrophobicContact CG-CD2 4.28Å; F428-F434 WeakPolarHBondContact O-CB 3.1Å
429M96.8Very high98.1Very high32 Ų3240 Ų4016%0.15822%0.217CC..THydrogen-bonded Turntrans-58.1-19.9178.4-76.3-49.9-61.700114.8A425 K431 F434 Q435 L438 T601 Y602A425-M429 HydrophobicContact CB-SD 4.41Å; A425-M429 VanDerWaalsContact O-CG 3.32Å; A425-M429 WeakPolarHBondContact O-CG 3.44Å; A425-M429 PolarHBondContact O-N 2.89Å; M429-K431 PolarHBondContact O-N 2.78Å; M429-F434 HydrophobicContact SD-CD1 4Å; M429-F434 HydrophobicContact SD-CE1 3.83Å; M429-Q435 HydrophobicContact CE-CB 4.5Å; M429-Q435 HydrophobicContact CE-CG 3.7Å; M429-Q435 WeakPolarHBondContact O-CG 3.05Å; M429-Q435 PolarHBondContact O-NE2 2.82Å; M429-L438 HydrophobicContact CE-CD2 4.49Å; M429-L438 HydrophobicContact SD-CD2 3.63Å; M429-T601 HydrophobicContact CE-CG2 4.18Å; M429-Y602 HydrophobicContact CG-CD2 4.07Å; M429-Y602 HydrophobicContact CG-CG 4.13Å; M429-Y602 HydrophobicContact SD-CD2 4.25Å; M429-Y602 HydrophobicContact SD-CG 4.49Å
430S96.3Very high98.1Very high101 Ų10137.5 Ų37.571%0.70621%0.206SC*.THydrogen-bonded Turntrans-71-11.517363.40000114.1F428F428-S430 PolarHBondContact O-N 3.17Å
431K97.8Very high98.1Very high91 Ų9136.9 Ų36.940%0.39620%0.203SC..  trans-98.3119.2-178.1-53.5-60.3-176.3-178.40110.2Y361 F428 M429 T433 F434 Q435Y361-K431 WeakPolarHBondContact O-CE 3.39Å; F428-K431 HydrophobicContact CD1-CG 4.46Å; F428-K431 WeakPolarHBondContact O-CB 3.35Å; F428-K431 PolarHBondContact O-N 3.38Å; M429-K431 PolarHBondContact O-N 2.78Å; K431-T433 VanDerWaalsContact C-N 3.28Å; K431-T433 PolarHBondContact O-N 3.07Å; K431-F434 HydrophobicContact CB-CB 3.94Å; K431-F434 WeakPolarHBondContact O-CB 3.21Å; K431-F434 PolarHBondContact O-N 3.35Å; K431-Q435 WeakPolarHBondContact O-CG 3.23Å; K431-Q435 PolarHBondContact O-N 3.47Å
432E97.4Very high98.1Very high110 Ų11036.9 Ų36.951%0.51420%0.203SC..Hα-helixtrans-56.9-40.4179.6-173.8-176.8176.200112.7F434 Q435 Y436 Q492E432-F434 VanDerWaalsContact C-N 3.3Å; E432-F434 PolarHBondContact O-N 2.94Å; E432-Q435 PolarHBondContact O-N 2.96Å; E432-Y436 PolarHBondContact O-N 2.89Å; E432-Q492 PolarHBondContact OE1-NE2 3.26Å
433T98.1Very high98.1Very high49 Ų4936.4 Ų36.430%0.30120%0.2SC..Hα-helixtrans-60.9-38.8176.547.50000112.3R360 K431 D437R360-T433 HydrophobicContact CG-CG2 4.18Å; R360-T433 WeakPolarHBondContact O-CB 3.49Å; R360-T433 PolarHBondContact O-OG1 2.99Å; K431-T433 VanDerWaalsContact C-N 3.28Å; K431-T433 PolarHBondContact O-N 3.07Å; T433-D437 PolarHBondContact O-N 3Å; T433-D437 VanDerWaalsContact O-N 3.11Å
434F98.6Very high98.1Very high0 Ų031.8 Ų31.80%018%0.179CC..Hα-helixtrans-69.6-42.6175.2-177.6-91.4000111.7Y361 L368 F421 A425 F428 M429 K431 E432 Y436 D437 L438Y361-F434 HydrophobicContact CD1-CB 3.83Å; Y361-F434 HydrophobicContact CD1-CD2 4.15Å; Y361-F434 HydrophobicContact CE1-CB 4Å; Y361-F434 HydrophobicContact CE1-CD2 4Å; Y361-F434 HydrophobicContact CE2-CD2 4.44Å; Y361-F434 HydrophobicContact CG-CD2 4.46Å; L368-F434 HydrophobicContact CD1-CD2 4.21Å; L368-F434 HydrophobicContact CD1-CE2 4Å; L368-F434 HydrophobicContact CD2-CD2 4.38Å; L368-F434 HydrophobicContact CD2-CE2 3.69Å; L368-F434 HydrophobicContact CG-CE2 4.48Å; F421-F434 AromaticContact CD1-CE2 3.85Å; F421-F434 HydrophobicContact CD1-CE2 3.85Å; F421-F434 HydrophobicContact CD1-CZ 4.24Å; F421-F434 HydrophobicContact CE1-CE2 4.25Å; A425-F434 VanDerWaalsContact CA-CE1 3.49Å; A425-F434 VanDerWaalsContact CA-CZ 3.43Å; A425-F434 HydrophobicContact CB-CE1 3.71Å; A425-F434 HydrophobicContact CB-CZ 3.8Å; F428-F434 HydrophobicContact CB-CB 4Å; F428-F434 HydrophobicContact CB-CD1 3.7Å; F428-F434 HydrophobicContact CB-CD2 3.55Å; F428-F434 HydrophobicContact CB-CE1 4.09Å; F428-F434 HydrophobicContact CB-CE2 3.94Å; F428-F434 HydrophobicContact CB-CG 3.43Å; F428-F434 VanDerWaalsContact CB-CG 3.43Å; F428-F434 HydrophobicContact CB-CZ 4.2Å; F428-F434 HydrophobicContact CG-CD2 4.28Å; F428-F434 WeakPolarHBondContact O-CB 3.1Å; M429-F434 HydrophobicContact SD-CD1 4Å; M429-F434 HydrophobicContact SD-CE1 3.83Å; K431-F434 HydrophobicContact CB-CB 3.94Å; K431-F434 WeakPolarHBondContact O-CB 3.21Å; K431-F434 PolarHBondContact O-N 3.35Å; E432-F434 VanDerWaalsContact C-N 3.3Å; E432-F434 PolarHBondContact O-N 2.94Å; F434-Y436 VanDerWaalsContact C-N 3.27Å; F434-Y436 PolarHBondContact O-N 3.22Å; F434-D437 PolarHBondContact O-N 2.73Å; F434-L438 HydrophobicContact CE1-CB 4.23Å; F434-L438 HydrophobicContact CE1-CD2 4.11Å; F434-L438 WeakPolarHBondContact O-CB 3.26Å; F434-L438 PolarHBondContact O-N 3.21Å
435Q98.6Very high98.2Very high55 Ų5531.7 Ų31.726%0.25718%0.178SC..Hα-helixtrans-58.7-41.4175.6-62.2-176.525.400111.7M429 K431 E432 V439M429-Q435 HydrophobicContact CE-CB 4.5Å; M429-Q435 HydrophobicContact CE-CG 3.7Å; M429-Q435 WeakPolarHBondContact O-CG 3.05Å; M429-Q435 PolarHBondContact O-NE2 2.82Å; K431-Q435 WeakPolarHBondContact O-CG 3.23Å; K431-Q435 PolarHBondContact O-N 3.47Å; E432-Q435 PolarHBondContact O-N 2.96Å; Q435-V439 WeakPolarHBondContact O-CG2 3.24Å; Q435-V439 PolarHBondContact O-N 2.84Å; Q435-V439 VanDerWaalsContact O-N 3.16Å
436Y98.8Very high98.2Very high22 Ų2231.7 Ų31.79%0.08618%0.178CC..Hα-helixtrans-60.3-52.2175.1176.4-84.8000111.4E328 P331 E432 F434 L438 V439 D440 N493 F494E328-Y436 PolarHBondContact O-OH 2.84Å; P331-Y436 HydrophobicContact CG-CE1 4.4Å; E432-Y436 PolarHBondContact O-N 2.89Å; F434-Y436 VanDerWaalsContact C-N 3.27Å; F434-Y436 PolarHBondContact O-N 3.22Å; Y436-L438 VanDerWaalsContact C-N 3.34Å; Y436-L438 PolarHBondContact O-N 2.89Å; Y436-V439 PolarHBondContact O-N 3.49Å; Y436-D440 PolarHBondContact O-N 2.74Å; Y436-N493 HydrophobicContact CD2-CB 3.69Å; Y436-N493 HydrophobicContact CE2-CB 3.74Å; Y436-F494 AromaticContact CD2-CE2 3.64Å; Y436-F494 HydrophobicContact CD2-CE2 3.64Å; Y436-F494 HydrophobicContact CD2-CZ 4.02Å; Y436-F494 AromaticContact CE2-CE2 3.68Å; Y436-F494 HydrophobicContact CE2-CE2 3.68Å; Y436-F494 AromaticContact CE2-CZ 3.64Å; Y436-F494 HydrophobicContact CE2-CZ 3.64Å; Y436-F494 HydrophobicContact CG-CE2 4.36Å; Y436-F494 AromaticContact CZ-CZ 3.98Å
437D98.8Very high98.3Very high6 Ų628.3 Ų28.33%0.03216%0.155CC..Hα-helixtrans-67.8-34.5-176.6-65.4-26000112R360 Y361 F421 T433 F434 V439 D440 V441R360-D437 WeakPolarHBondContact CD-OD2 3.43Å; R360-D437 IonicContact CZ-OD1 3.68Å; R360-D437 IonicContact CZ-OD2 2.87Å; R360-D437 IonicContact NE-OD1 3.27Å; R360-D437 PolarHBondContact NE-OD1 3.47Å; R360-D437 IonicContact NE-OD2 3.59Å; R360-D437 PolarHBondContact NE-OD2 2.9Å; R360-D437 IonicContact NH2-OD1 3.04Å; R360-D437 PolarHBondContact NH2-OD1 2.81Å; R360-D437 IonicContact NH2-OD2 3.86Å; R360-D437 PolarHBondContact NH2-OD2 3.17Å; Y361-D437 VanDerWaalsContact CE1-OD2 3.23Å; Y361-D437 WeakPolarHBondContact CE1-OD2 3Å; Y361-D437 PolarHBondContact OH-OD2 3.08Å; F421-D437 HydrophobicContact CE1-CB 3.7Å; F421-D437 HydrophobicContact CZ-CB 4.18Å; T433-D437 PolarHBondContact O-N 3Å; T433-D437 VanDerWaalsContact O-N 3.11Å; F434-D437 PolarHBondContact O-N 2.73Å; D437-V439 VanDerWaalsContact C-N 3.34Å; D437-V439 PolarHBondContact O-N 3.47Å; D437-D440 PolarHBondContact O-N 2.67Å; D437-V441 WeakPolarHBondContact O-CB 3.2Å; D437-V441 VanDerWaalsContact O-CG2 3.23Å; D437-V441 WeakPolarHBondContact O-CG2 3.14Å; D437-V441 PolarHBondContact O-N 3.09Å
438L98.9Very high98.4Very high0 Ų024.5 Ų24.50%013%0.128CC..Hα-helixtrans-61.9-42.7174.6-176.664.3000111.6F421 M422 A425 M429 F434 Y436 T442 A605F421-L438 HydrophobicContact CB-CD1 4.18Å; M422-L438 HydrophobicContact SD-CD1 3.7Å; A425-L438 HydrophobicContact CB-CD2 4.16Å; M429-L438 HydrophobicContact CE-CD2 4.49Å; M429-L438 HydrophobicContact SD-CD2 3.63Å; F434-L438 HydrophobicContact CE1-CB 4.23Å; F434-L438 HydrophobicContact CE1-CD2 4.11Å; F434-L438 WeakPolarHBondContact O-CB 3.26Å; F434-L438 PolarHBondContact O-N 3.21Å; Y436-L438 VanDerWaalsContact C-N 3.34Å; Y436-L438 PolarHBondContact O-N 2.89Å; L438-T442 VanDerWaalsContact O-CB 3.29Å; L438-T442 WeakPolarHBondContact O-CB 3.3Å; L438-T442 PolarHBondContact O-N 3.35Å; L438-T442 VanDerWaalsContact O-N 3.11Å; L438-T442 PolarHBondContact O-OG1 3.39Å; L438-A605 HydrophobicContact CD2-CB 4.1Å; L438-A605 HydrophobicContact CG-CB 4.22Å
439V98.9Very high98.4Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-63.4-47.4173.6168.60000110.6Q435 Y436 D437 T442 R443 L487 L488 N491 F494 T601Q435-V439 WeakPolarHBondContact O-CG2 3.24Å; Q435-V439 PolarHBondContact O-N 2.84Å; Q435-V439 VanDerWaalsContact O-N 3.16Å; Y436-V439 PolarHBondContact O-N 3.49Å; D437-V439 VanDerWaalsContact C-N 3.34Å; D437-V439 PolarHBondContact O-N 3.47Å; V439-T442 PolarHBondContact O-N 3.46Å; V439-R443 WeakPolarHBondContact O-CB 3.4Å; V439-R443 PolarHBondContact O-N 2.88Å; V439-L487 HydrophobicContact CG1-CG 4.2Å; V439-L487 HydrophobicContact CG2-CD1 4.1Å; V439-L487 HydrophobicContact CG2-CG 4.45Å; V439-L488 HydrophobicContact CG1-CD2 4.13Å; V439-N491 HydrophobicContact CG2-CB 4.05Å; V439-F494 HydrophobicContact CB-CE2 4.13Å; V439-F494 HydrophobicContact CG1-CD2 3.68Å; V439-F494 HydrophobicContact CG1-CE2 3.62Å; V439-F494 HydrophobicContact CG1-CG 4.19Å; V439-F494 HydrophobicContact CG1-CZ 4.08Å; V439-T601 HydrophobicContact CG2-CG2 3.46Å; V439-T601 VanDerWaalsContact CG2-CG2 3.46Å
440D98.9Very high98.5Very high2 Ų222 Ų221%0.01112%0.116CC..Hα-helixtrans-68.7-40.1-175-157.14000112.7F295 Y436 D437 R443 Q444 F494F295-D440 HydrophobicContact CE1-CB 3.92Å; F295-D440 VanDerWaalsContact CE1-OD2 3.25Å; F295-D440 WeakPolarHBondContact CE1-OD2 3.5Å; F295-D440 HydrophobicContact CZ-CB 4.11Å; Y436-D440 PolarHBondContact O-N 2.74Å; D437-D440 PolarHBondContact O-N 2.67Å; D440-R443 PolarHBondContact O-N 3.05Å; D440-R443 IonicContact OD1-CZ 2.64Å; D440-R443 VanDerWaalsContact OD1-CZ 3.27Å; D440-R443 IonicContact OD1-NE 3.58Å; D440-R443 PolarHBondContact OD1-NE 3.33Å; D440-R443 IonicContact OD1-NH2 3.47Å; D440-R443 PolarHBondContact OD1-NH2 3.29Å; D440-Q444 WeakPolarHBondContact O-CB 3.34Å; D440-Q444 PolarHBondContact O-N 2.97Å; D440-F494 HydrophobicContact CB-CZ 4.07Å
441V98.9Very high98.6Very high1 Ų117.8 Ų17.81%0.0069%0.086CC..Hα-helixtrans-63.2-47.1173.8174.10000110.4F295 L375 W418 F421 D437 R443 Q444 V445F295-V441 HydrophobicContact CE2-CB 4.23Å; F295-V441 HydrophobicContact CE2-CG2 3.73Å; F295-V441 HydrophobicContact CZ-CB 4.23Å; F295-V441 HydrophobicContact CZ-CG2 3.6Å; L375-V441 HydrophobicContact CD1-CG2 4.31Å; W418-V441 HydrophobicContact CB-CG1 3.75Å; W418-V441 HydrophobicContact CG-CG1 4.13Å; F421-V441 HydrophobicContact CD2-CG2 4.06Å; F421-V441 HydrophobicContact CE1-CG2 4.4Å; F421-V441 HydrophobicContact CE2-CG2 3.93Å; F421-V441 HydrophobicContact CG-CG2 4.37Å; F421-V441 HydrophobicContact CZ-CG2 4.09Å; D437-V441 WeakPolarHBondContact O-CB 3.2Å; D437-V441 VanDerWaalsContact O-CG2 3.23Å; D437-V441 WeakPolarHBondContact O-CG2 3.14Å; D437-V441 PolarHBondContact O-N 3.09Å; V441-R443 VanDerWaalsContact C-N 3.35Å; V441-R443 PolarHBondContact O-N 2.84Å; V441-Q444 PolarHBondContact O-N 3.3Å; V441-V445 PolarHBondContact O-N 3.13Å
442T98.9Very high98.6Very high0 Ų014.4 Ų14.40%07%0.074CC..Hα-helixtrans-64.1-41.8179.4-55.70000110.8W418 L438 V439 Q444 V445 L446 L487 I608W418-T442 HydrophobicContact CZ2-CG2 4Å; W418-T442 PolarHBondContact NE1-OG1 2.89Å; L438-T442 VanDerWaalsContact O-CB 3.29Å; L438-T442 WeakPolarHBondContact O-CB 3.3Å; L438-T442 PolarHBondContact O-N 3.35Å; L438-T442 VanDerWaalsContact O-N 3.11Å; L438-T442 PolarHBondContact O-OG1 3.39Å; V439-T442 PolarHBondContact O-N 3.46Å; T442-Q444 PolarHBondContact O-N 2.85Å; T442-V445 PolarHBondContact O-N 2.77Å; T442-L446 WeakPolarHBondContact O-CG 3.46Å; T442-L446 PolarHBondContact O-N 3.34Å; T442-L487 HydrophobicContact CG2-CD1 4.34Å; T442-L487 HydrophobicContact CG2-CD2 3.56Å; T442-I608 HydrophobicContact CG2-CB 4.4Å; T442-I608 HydrophobicContact CG2-CD1 4.47Å; T442-I608 HydrophobicContact CG2-CG2 3.78Å
443R98.9Very high98.7Very high0 Ų09.5 Ų9.50%05%0.051CC..Hα-helixtrans-57.9-45.6173.1177.6-145.861.761.65.7111.4V439 D440 V441 V445 L446 Q447 L484 L487 L488 Q540V439-R443 WeakPolarHBondContact O-CB 3.4Å; V439-R443 PolarHBondContact O-N 2.88Å; D440-R443 PolarHBondContact O-N 3.05Å; D440-R443 IonicContact OD1-CZ 2.64Å; D440-R443 VanDerWaalsContact OD1-CZ 3.27Å; D440-R443 IonicContact OD1-NE 3.58Å; D440-R443 PolarHBondContact OD1-NE 3.33Å; D440-R443 IonicContact OD1-NH2 3.47Å; D440-R443 PolarHBondContact OD1-NH2 3.29Å; V441-R443 VanDerWaalsContact C-N 3.35Å; V441-R443 PolarHBondContact O-N 2.84Å; R443-V445 VanDerWaalsContact C-N 3.31Å; R443-V445 PolarHBondContact O-N 2.98Å; R443-L446 PolarHBondContact O-N 3.27Å; R443-Q447 PolarHBondContact O-N 2.88Å; R443-L484 HydrophobicContact CB-CD1 4.18Å; R443-L484 HydrophobicContact CG-CD1 3.88Å; R443-L487 HydrophobicContact CB-CD2 4.47Å; R443-L488 HydrophobicContact CB-CD2 4.28Å; R443-L488 HydrophobicContact CG-CD2 3.98Å; R443-Q540 HydrophobicContact CG-CB 4.35Å
444Q98.9Very high98.7Very high3 Ų37.9 Ų7.91%0.0144%0.04CC..Hα-helixtrans-60.8-41.2178.1-172.865.218.800111.6F295 Y409 L414 D440 V441 T442 Q447 V448F295-Q444 HydrophobicContact CB-CG 4.23Å; F295-Q444 HydrophobicContact CD2-CB 3.83Å; F295-Q444 HydrophobicContact CD2-CG 3.69Å; F295-Q444 HydrophobicContact CE2-CB 4.02Å; F295-Q444 HydrophobicContact CE2-CG 4.35Å; F295-Q444 HydrophobicContact CG-CB 4.33Å; F295-Q444 HydrophobicContact CG-CG 4.1Å; Y409-Q444 PolarHBondContact OH-NE2 2.88Å; Y409-Q444 VanDerWaalsContact OH-NE2 3.14Å; L414-Q444 HydrophobicContact CD1-CB 4.27Å; L414-Q444 HydrophobicContact CD1-CG 3.94Å; L414-Q444 HydrophobicContact CD2-CB 4.36Å; L414-Q444 HydrophobicContact CD2-CG 3.63Å; L414-Q444 HydrophobicContact CG-CG 4.45Å; D440-Q444 WeakPolarHBondContact O-CB 3.34Å; D440-Q444 PolarHBondContact O-N 2.97Å; V441-Q444 PolarHBondContact O-N 3.3Å; T442-Q444 PolarHBondContact O-N 2.85Å; Q444-Q447 WeakPolarHBondContact O-CB 3.42Å; Q444-Q447 PolarHBondContact O-N 2.94Å; Q444-V448 PolarHBondContact O-N 3.07Å; Q444-V448 VanDerWaalsContact O-N 3.1Å
445V98.9Very high98.7Very high0 Ų011.8 Ų11.80%06%0.058CC..Hα-helixtrans-63-45.3176173.20000111.5L414 F415 W418 V441 T442 R443 Q447 V448 L449L414-V445 HydrophobicContact CD1-CG2 4.34Å; L414-V445 HydrophobicContact CD2-CG2 4.1Å; L414-V445 HydrophobicContact CG-CG2 3.9Å; F415-V445 HydrophobicContact CD1-CB 4.49Å; F415-V445 HydrophobicContact CD1-CG1 3.91Å; F415-V445 HydrophobicContact CD1-CG2 3.94Å; F415-V445 HydrophobicContact CE1-CB 4.43Å; F415-V445 HydrophobicContact CE1-CG1 3.76Å; F415-V445 HydrophobicContact CE1-CG2 4.28Å; W418-V445 HydrophobicContact CB-CG2 3.84Å; W418-V445 HydrophobicContact CD2-CB 4.23Å; W418-V445 HydrophobicContact CD2-CG1 4.24Å; W418-V445 HydrophobicContact CD2-CG2 3.81Å; W418-V445 HydrophobicContact CE3-CB 4.08Å; W418-V445 HydrophobicContact CE3-CG1 3.6Å; W418-V445 HydrophobicContact CE3-CG2 3.81Å; W418-V445 HydrophobicContact CG-CG2 3.87Å; W418-V445 HydrophobicContact CH2-CG1 4.11Å; W418-V445 HydrophobicContact CZ3-CB 4.36Å; W418-V445 HydrophobicContact CZ3-CG1 3.52Å; V441-V445 PolarHBondContact O-N 3.13Å; T442-V445 PolarHBondContact O-N 2.77Å; R443-V445 VanDerWaalsContact C-N 3.31Å; R443-V445 PolarHBondContact O-N 2.98Å; V445-Q447 VanDerWaalsContact C-N 3.27Å; V445-Q447 PolarHBondContact O-N 3.43Å; V445-V448 PolarHBondContact O-N 3.04Å; V445-V448 VanDerWaalsContact O-N 3.12Å; V445-L449 HydrophobicContact CG1-CD1 4.08Å; V445-L449 HydrophobicContact CG1-CG 4.37Å; V445-L449 WeakPolarHBondContact O-CG 3.23Å; V445-L449 PolarHBondContact O-N 3.12Å
446L98.9Very high98.7Very high0 Ų011.8 Ų11.80%06%0.06CC..Hα-helixtrans-64.6-31.6177.8-65.7-172.7000112.6T442 R443 L449 T450 L480 L484 I608 Y612T442-L446 WeakPolarHBondContact O-CG 3.46Å; T442-L446 PolarHBondContact O-N 3.34Å; R443-L446 PolarHBondContact O-N 3.27Å; L446-L449 HydrophobicContact CD2-CD1 4.21Å; L446-L449 PolarHBondContact O-N 3.04Å; L446-T450 WeakPolarHBondContact O-CB 3.42Å; L446-T450 PolarHBondContact O-N 3.02Å; L446-T450 PolarHBondContact O-OG1 3.47Å; L446-L480 HydrophobicContact CB-CD2 4.36Å; L446-L480 HydrophobicContact CD2-CD1 4.46Å; L446-L480 HydrophobicContact CD2-CG 4.28Å; L446-L484 HydrophobicContact CB-CD1 4.25Å; L446-L484 HydrophobicContact CD1-CB 3.85Å; L446-L484 HydrophobicContact CD1-CD1 4Å; L446-I608 HydrophobicContact CD1-CD1 4.29Å; L446-I608 HydrophobicContact CD1-CG2 3.99Å; L446-I608 HydrophobicContact CD2-CG2 3.87Å; L446-I608 HydrophobicContact CG-CG2 4.21Å; L446-Y612 HydrophobicContact CD2-CD2 4.03Å; L446-Y612 HydrophobicContact CD2-CE2 4.43Å; L446-Y612 HydrophobicContact CD2-CG 4.32Å
447Q98.8Very high98.7Very high13 Ų1310.7 Ų10.76%0.0616%0.056CC..Hα-helixtrans-62.3-46.9170.1-179.5-177-68.900111.6N391 S393 L395 R443 Q444 V445 L449 T450 S451N391-Q447 PolarHBondContact ND2-OE1 3.05Å; S393-Q447 VanDerWaalsContact OG-CD 3.29Å; S393-Q447 WeakPolarHBondContact OG-CG 3.35Å; L395-Q447 HydrophobicContact CB-CG 4.24Å; L395-Q447 HydrophobicContact CD2-CB 3.93Å; L395-Q447 HydrophobicContact CD2-CG 4.08Å; R443-Q447 PolarHBondContact O-N 2.88Å; Q444-Q447 WeakPolarHBondContact O-CB 3.42Å; Q444-Q447 PolarHBondContact O-N 2.94Å; V445-Q447 VanDerWaalsContact C-N 3.27Å; V445-Q447 PolarHBondContact O-N 3.43Å; Q447-L449 VanDerWaalsContact C-N 3.34Å; Q447-L449 PolarHBondContact O-N 3.49Å; Q447-T450 WeakPolarHBondContact O-CB 3.25Å; Q447-T450 PolarHBondContact O-N 2.97Å; Q447-S451 PolarHBondContact O-N 3.42Å
448V98.6Very high98.7Very high9 Ų911.2 Ų11.26%0.0556%0.06CC..Hα-helixtrans-62.1-43.5177.3173.10000110.9L407 Y409 P411 L414 F415 Q444 V445 T450 S451 S452L407-V448 HydrophobicContact CD1-CG1 4.21Å; L407-V448 HydrophobicContact CD1-CG2 4.26Å; Y409-V448 WeakPolarHBondContact OH-CG2 3.14Å; P411-V448 HydrophobicContact CB-CG1 4.39Å; L414-V448 HydrophobicContact CD2-CG2 3.85Å; F415-V448 HydrophobicContact CE1-CB 4.41Å; F415-V448 HydrophobicContact CE1-CG1 4.17Å; F415-V448 HydrophobicContact CZ-CG1 3.85Å; Q444-V448 PolarHBondContact O-N 3.07Å; Q444-V448 VanDerWaalsContact O-N 3.1Å; V445-V448 PolarHBondContact O-N 3.04Å; V445-V448 VanDerWaalsContact O-N 3.12Å; V448-T450 VanDerWaalsContact C-N 3.3Å; V448-T450 PolarHBondContact O-N 3.44Å; V448-S451 VanDerWaalsContact O-CB 3.29Å; V448-S451 WeakPolarHBondContact O-CB 3.37Å; V448-S451 PolarHBondContact O-N 3.4Å; V448-S451 VanDerWaalsContact O-N 3.12Å; V448-S452 PolarHBondContact O-N 3.42Å
449L98.6Very high98.7Very high1 Ų115.9 Ų15.91%0.0059%0.085CC..Hα-helixtrans-65.1-33.5177-70.1176.5000112.8V445 L446 Q447 S451 S452 F453 L480 Y612 A616V445-L449 HydrophobicContact CG1-CD1 4.08Å; V445-L449 HydrophobicContact CG1-CG 4.37Å; V445-L449 WeakPolarHBondContact O-CG 3.23Å; V445-L449 PolarHBondContact O-N 3.12Å; L446-L449 HydrophobicContact CD2-CD1 4.21Å; L446-L449 PolarHBondContact O-N 3.04Å; Q447-L449 VanDerWaalsContact C-N 3.34Å; Q447-L449 PolarHBondContact O-N 3.49Å; L449-S451 VanDerWaalsContact C-N 3.26Å; L449-S451 PolarHBondContact O-N 2.82Å; L449-S452 PolarHBondContact O-N 3.18Å; L449-S452 VanDerWaalsContact O-N 3.11Å; L449-F453 HydrophobicContact CB-CE2 4.45Å; L449-F453 WeakPolarHBondContact O-CD2 3.11Å; L449-F453 PolarHBondContact O-N 3.32Å; L449-L480 HydrophobicContact CB-CD1 3.84Å; L449-Y612 HydrophobicContact CD1-CD1 4.23Å; L449-Y612 HydrophobicContact CD1-CG 4.19Å; L449-A616 HydrophobicContact CD2-CB 4.01Å
450T98.7Very high98.7Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-58.5-40.4172.7-59.70000111L395 L446 Q447 V448 S452 F453 Y454 L476 L480L395-T450 HydrophobicContact CB-CG2 3.96Å; L395-T450 HydrophobicContact CD1-CG2 4.4Å; L446-T450 WeakPolarHBondContact O-CB 3.42Å; L446-T450 PolarHBondContact O-N 3.02Å; L446-T450 PolarHBondContact O-OG1 3.47Å; Q447-T450 WeakPolarHBondContact O-CB 3.25Å; Q447-T450 PolarHBondContact O-N 2.97Å; V448-T450 VanDerWaalsContact C-N 3.3Å; V448-T450 PolarHBondContact O-N 3.44Å; T450-S452 PolarHBondContact O-N 3.31Å; T450-F453 PolarHBondContact O-N 2.88Å; T450-Y454 WeakPolarHBondContact O-CB 3.26Å; T450-Y454 PolarHBondContact O-N 3.19Å; T450-L476 HydrophobicContact CG2-CD1 3.81Å; T450-L480 VanDerWaalsContact OG1-CD2 3.3Å; T450-L480 WeakPolarHBondContact OG1-CD2 3.42Å
451S98.4Very high98.6Very high11 Ų1117.4 Ų17.48%0.0779%0.093CC..Hα-helixtrans-61.1-42.7173.4-55.80000112.5P394 Q447 V448 L449 Y454 Q455P394-S451 WeakPolarHBondContact CD-OG 3.18Å; Q447-S451 PolarHBondContact O-N 3.42Å; V448-S451 VanDerWaalsContact O-CB 3.29Å; V448-S451 WeakPolarHBondContact O-CB 3.37Å; V448-S451 PolarHBondContact O-N 3.4Å; V448-S451 VanDerWaalsContact O-N 3.12Å; L449-S451 VanDerWaalsContact C-N 3.26Å; L449-S451 PolarHBondContact O-N 2.82Å; S451-Y454 WeakPolarHBondContact O-CB 3.4Å; S451-Y454 PolarHBondContact O-N 3.16Å; S451-Q455 WeakPolarHBondContact O-CG 3.43Å; S451-Q455 PolarHBondContact O-N 3.02Å
452S98.1Very high98.6Very high20 Ų2020.8 Ų20.814%0.1412%0.121CC..Hα-helixtrans-66.1-43177.9-53.90000112.4V448 L449 T450 Y454 Q455 D456V448-S452 PolarHBondContact O-N 3.42Å; L449-S452 PolarHBondContact O-N 3.18Å; L449-S452 VanDerWaalsContact O-N 3.11Å; T450-S452 PolarHBondContact O-N 3.31Å; S452-Y454 VanDerWaalsContact C-N 3.31Å; S452-Y454 PolarHBondContact O-N 2.69Å; S452-Q455 WeakPolarHBondContact O-CB 3.43Å; S452-Q455 PolarHBondContact O-N 3.12Å; S452-D456 PolarHBondContact O-N 2.87Å
453F98.6Very high98.5Very high8 Ų825.9 Ų25.94%0.03515%0.148CC..Hα-helixtrans-66.4-34.8175.6-77-67.7000112.2L449 T450 Q455 D456 I457 A472 V475 L476 L480 R619L449-F453 HydrophobicContact CB-CE2 4.45Å; L449-F453 WeakPolarHBondContact O-CD2 3.11Å; L449-F453 PolarHBondContact O-N 3.32Å; T450-F453 PolarHBondContact O-N 2.88Å; F453-Q455 VanDerWaalsContact C-N 3.35Å; F453-D456 PolarHBondContact O-N 3.04Å; F453-I457 WeakPolarHBondContact O-CB 3.28Å; F453-I457 WeakPolarHBondContact O-CD1 3.34Å; F453-I457 WeakPolarHBondContact O-CG1 3.32Å; F453-I457 PolarHBondContact O-N 3.47Å; F453-A472 HydrophobicContact CD1-CB 4.4Å; F453-V475 HydrophobicContact CD1-CB 4.5Å; F453-V475 HydrophobicContact CD1-CG1 4.38Å; F453-V475 HydrophobicContact CE1-CB 3.98Å; F453-V475 HydrophobicContact CE1-CG1 3.63Å; F453-V475 HydrophobicContact CE2-CG1 4.01Å; F453-V475 HydrophobicContact CZ-CB 4.29Å; F453-V475 HydrophobicContact CZ-CG1 3.42Å; F453-V475 VanDerWaalsContact CZ-CG1 3.42Å; F453-L476 HydrophobicContact CB-CB 4.27Å; F453-L480 HydrophobicContact CD2-CD1 3.67Å; F453-L480 HydrophobicContact CE2-CD1 3.64Å; F453-R619 VanDerWaalsContact CE1-NH2 3.33Å
454Y98.7Very high98.5Very high14 Ų1434 Ų346%0.05518%0.183CC..Hα-helixtrans-58.9-45.4170.4157.3-106000111.8P394 S400 F401 M403 T405 T450 S451 S452 I457 A458 W553P394-Y454 HydrophobicContact CB-CD1 4.42Å; P394-Y454 HydrophobicContact CB-CG 4.24Å; P394-Y454 HydrophobicContact CG-CD1 3.99Å; P394-Y454 HydrophobicContact CG-CG 4.31Å; S400-Y454 WeakPolarHBondContact O-CE2 3.22Å; S400-Y454 PolarHBondContact O-OH 3.11Å; F401-Y454 VanDerWaalsContact C-OH 3.23Å; F401-Y454 PolarHBondContact O-OH 3.16Å; M403-Y454 HydrophobicContact CB-CD1 4.39Å; M403-Y454 HydrophobicContact CB-CE1 3.77Å; M403-Y454 HydrophobicContact CB-CE2 4.24Å; M403-Y454 HydrophobicContact CG-CE1 4.41Å; M403-Y454 HydrophobicContact CG-CE2 3.98Å; M403-Y454 PolarHBondContact N-OH 3.21Å; M403-Y454 HydrophobicContact SD-CD2 3.77Å; M403-Y454 HydrophobicContact SD-CE2 3.67Å; M403-Y454 HydrophobicContact SD-CG 4.27Å; T405-Y454 HydrophobicContact CG2-CD1 3.59Å; T405-Y454 HydrophobicContact CG2-CE1 3.72Å; T450-Y454 WeakPolarHBondContact O-CB 3.26Å; T450-Y454 PolarHBondContact O-N 3.19Å; S451-Y454 WeakPolarHBondContact O-CB 3.4Å; S451-Y454 PolarHBondContact O-N 3.16Å; S452-Y454 VanDerWaalsContact C-N 3.31Å; S452-Y454 PolarHBondContact O-N 2.69Å; Y454-I457 PolarHBondContact O-N 2.77Å; Y454-A458 HydrophobicContact CE2-CB 4.37Å; Y454-A458 WeakPolarHBondContact O-CB 3.24Å; Y454-A458 PolarHBondContact O-N 3.39Å; Y454-W553 AromaticContact CD2-CH2 3.68Å; Y454-W553 HydrophobicContact CD2-CH2 3.68Å; Y454-W553 HydrophobicContact CD2-CZ3 4.19Å; Y454-W553 HydrophobicContact CG-CH2 4.06Å
455Q98.4Very high98.5Very high83 Ų8338.8 Ų38.839%0.38820%0.204SC..Hα-helixtrans-60.8-45.9176.5-70.7171.7-34.600111.2T405 S451 S452 F453 I457 A458 D459T405-Q455 HydrophobicContact CG2-CG 4.19Å; T405-Q455 PolarHBondContact OG1-NE2 3.03Å; T405-Q455 VanDerWaalsContact OG1-NE2 3.09Å; S451-Q455 WeakPolarHBondContact O-CG 3.43Å; S451-Q455 PolarHBondContact O-N 3.02Å; S452-Q455 WeakPolarHBondContact O-CB 3.43Å; S452-Q455 PolarHBondContact O-N 3.12Å; F453-Q455 VanDerWaalsContact C-N 3.35Å; Q455-I457 VanDerWaalsContact C-N 3.34Å; Q455-I457 PolarHBondContact O-N 2.93Å; Q455-A458 PolarHBondContact O-N 2.68Å; Q455-A458 VanDerWaalsContact O-N 3.17Å; Q455-D459 WeakPolarHBondContact O-CB 3.27Å; Q455-D459 PolarHBondContact O-N 3.49Å
456D98.4Very high98.4Very high54 Ų5441.1 Ų41.129%0.28922%0.215SC..Hα-helixtrans-60-42.2176.5-62.5-21.6000112.3S452 F453 A460 A472 R619S452-D456 PolarHBondContact O-N 2.87Å; F453-D456 PolarHBondContact O-N 3.04Å; D456-A460 WeakPolarHBondContact O-CB 3.44Å; D456-A460 PolarHBondContact O-N 3.23Å; D456-A472 HydrophobicContact CB-CB 3.72Å; D456-R619 IonicContact OD1-NH1 3.87Å; D456-R619 PolarHBondContact OD1-NH1 3.09Å; D456-R619 IonicContact OD2-CZ 3.78Å; D456-R619 IonicContact OD2-NH1 2.99Å; D456-R619 PolarHBondContact OD2-NH1 3.33Å; D456-R619 IonicContact OD2-NH2 2.77Å; D456-R619 PolarHBondContact OD2-NH2 2.89Å
457I98.8Very high98.4Very high0 Ų045.3 Ų45.30%024%0.243CC..Hα-helixtrans-61.7-46.1175.6-72.7162.2000110.3F453 Y454 Q455 A460 F461 L469 A472 L476 F556 V557 L560F453-I457 WeakPolarHBondContact O-CB 3.28Å; F453-I457 WeakPolarHBondContact O-CD1 3.34Å; F453-I457 WeakPolarHBondContact O-CG1 3.32Å; F453-I457 PolarHBondContact O-N 3.47Å; Y454-I457 PolarHBondContact O-N 2.77Å; Q455-I457 VanDerWaalsContact C-N 3.34Å; Q455-I457 PolarHBondContact O-N 2.93Å; I457-A460 PolarHBondContact O-N 3.34Å; I457-F461 WeakPolarHBondContact O-CB 3.46Å; I457-F461 PolarHBondContact O-N 3.42Å; I457-L469 HydrophobicContact CB-CD1 4.41Å; I457-L469 HydrophobicContact CG2-CD1 3.77Å; I457-A472 HydrophobicContact CG1-CB 3.79Å; I457-L476 HydrophobicContact CD1-CB 4.34Å; I457-L476 HydrophobicContact CD1-CD2 3.64Å; I457-F556 HydrophobicContact CG2-CE1 4.28Å; I457-V557 HydrophobicContact CD1-CG2 4.08Å; I457-L560 HydrophobicContact CG2-CD1 3.67Å
458A98.5Very high98.4Very high16 Ų1648.8 Ų48.813%0.13226%0.259CS..Hα-helixtrans-63.6-46-179.300000111.7F401 Y454 Q455 F461 A462F401-A458 HydrophobicContact CD1-CB 4.02Å; F401-A458 HydrophobicContact CE1-CB 4.18Å; Y454-A458 HydrophobicContact CE2-CB 4.37Å; Y454-A458 WeakPolarHBondContact O-CB 3.24Å; Y454-A458 PolarHBondContact O-N 3.39Å; Q455-A458 PolarHBondContact O-N 2.68Å; Q455-A458 VanDerWaalsContact O-N 3.17Å; A458-F461 PolarHBondContact O-N 3.21Å; A458-A462 WeakPolarHBondContact O-CB 3.24Å; A458-A462 PolarHBondContact O-N 2.92Å
459D98.4Very high98.4Very high98 Ų9848.3 Ų48.352%0.52426%0.256SS..Hα-helixtrans-66.5-42.9178.3-73.6-16.8000111.8Q455 F461 A462 N463Q455-D459 WeakPolarHBondContact O-CB 3.27Å; Q455-D459 PolarHBondContact O-N 3.49Å; D459-F461 VanDerWaalsContact C-N 3.35Å; D459-F461 PolarHBondContact O-N 3.02Å; D459-A462 PolarHBondContact O-N 3.38Å; D459-N463 WeakPolarHBondContact O-CB 3.42Å; D459-N463 PolarHBondContact O-N 3.2Å; D459-N463 PolarHBondContact O-ND2 3.25Å
460A98.6Very high98.4Very high4 Ų452.7 Ų52.73%0.03328%0.279CS..Hα-helixtrans-62.1-43.8177.100000111.5D456 I457 N463 K464 K465 E468 L469D456-A460 WeakPolarHBondContact O-CB 3.44Å; D456-A460 PolarHBondContact O-N 3.23Å; I457-A460 PolarHBondContact O-N 3.34Å; A460-N463 CarbonylContact O-C 3.57Å; A460-N463 PolarHBondContact O-N 3.4Å; A460-K464 PolarHBondContact O-N 3.44Å; A460-K465 HydrophobicContact CB-CB 4.35Å; A460-K465 PolarHBondContact O-N 3.29Å; A460-E468 HydrophobicContact CB-CB 3.8Å; A460-L469 HydrophobicContact CB-CB 3.95Å
461F98.5Very high98.4Very high31 Ų3157.1 Ų57.114%0.13631%0.306CS..Hα-helixtrans-64.5-47.2176.2-175.9-99.6000112.1F401 I457 A458 D459 N463 K464 L469 L560 C563 L564F401-F461 HydrophobicContact CE1-CB 4.31Å; F401-F461 AromaticContact CE1-CD1 3.87Å; F401-F461 HydrophobicContact CE1-CD1 3.87Å; F401-F461 HydrophobicContact CE1-CG 4.37Å; F401-F461 HydrophobicContact CE2-CD1 4.02Å; F401-F461 HydrophobicContact CE2-CE1 4.03Å; F401-F461 HydrophobicContact CZ-CB 4.26Å; F401-F461 AromaticContact CZ-CD1 3.25Å; F401-F461 HydrophobicContact CZ-CD1 3.25Å; F401-F461 AromaticContact CZ-CE1 3.71Å; F401-F461 HydrophobicContact CZ-CE1 3.71Å; F401-F461 AromaticContact CZ-CG 3.86Å; F401-F461 HydrophobicContact CZ-CG 3.86Å; I457-F461 WeakPolarHBondContact O-CB 3.46Å; I457-F461 PolarHBondContact O-N 3.42Å; A458-F461 PolarHBondContact O-N 3.21Å; D459-F461 VanDerWaalsContact C-N 3.35Å; D459-F461 PolarHBondContact O-N 3.02Å; F461-N463 PolarHBondContact O-N 3.07Å; F461-K464 PolarHBondContact O-N 3.38Å; F461-L469 HydrophobicContact CD2-CD2 4.31Å; F461-L560 HydrophobicContact CB-CD1 4.21Å; F461-L560 HydrophobicContact CD1-CD2 4.33Å; F461-L560 HydrophobicContact CD2-CB 3.7Å; F461-L560 HydrophobicContact CD2-CD1 4.31Å; F461-L560 HydrophobicContact CD2-CD2 3.96Å; F461-L560 HydrophobicContact CD2-CG 4.19Å; F461-L560 HydrophobicContact CE1-CD2 4.26Å; F461-L560 HydrophobicContact CE2-CB 4.01Å; F461-L560 HydrophobicContact CE2-CD2 3.9Å; F461-L560 HydrophobicContact CE2-CG 4.48Å; F461-L560 WeakPolarHBondContact CE2-O 3.47Å; F461-L560 HydrophobicContact CG-CB 4.43Å; F461-L560 HydrophobicContact CG-CD1 4.22Å; F461-L560 HydrophobicContact CG-CD2 4.17Å; F461-L560 HydrophobicContact CG-CG 4.5Å; F461-L560 HydrophobicContact CZ-CD2 4.05Å; F461-C563 HydrophobicContact CE2-CB 3.82Å; F461-C563 HydrophobicContact CZ-CB 3.98Å; F461-L564 HydrophobicContact CD2-CD1 4.03Å; F461-L564 HydrophobicContact CD2-CD2 3.82Å; F461-L564 HydrophobicContact CD2-CG 3.62Å; F461-L564 HydrophobicContact CE2-CD2 3.75Å; F461-L564 HydrophobicContact CE2-CG 3.69Å
462A97.7Very high98.4Very high72 Ų7257 Ų5760%0.59531%0.306SS*.Hα-helixtrans-59.3-37.3179.200000112.1A458 D459A458-A462 WeakPolarHBondContact O-CB 3.24Å; A458-A462 PolarHBondContact O-N 2.92Å; D459-A462 PolarHBondContact O-N 3.38Å
463N98.1Very high98.4Very high106 Ų10656 Ų5657%0.56730%0.299SS*.THydrogen-bonded Turntrans-89.75.7178.5-67.2-69.3000114D459 A460 F461 K465D459-N463 WeakPolarHBondContact O-CB 3.42Å; D459-N463 PolarHBondContact O-N 3.2Å; D459-N463 PolarHBondContact O-ND2 3.25Å; A460-N463 CarbonylContact O-C 3.57Å; A460-N463 PolarHBondContact O-N 3.4Å; F461-N463 PolarHBondContact O-N 3.07Å; N463-K465 HydrophobicContact CB-CD 4.01Å; N463-K465 HydrophobicContact CB-CG 4.01Å; N463-K465 PolarHBondContact O-N 2.92Å
464K97.8Very high98.4Very high172 Ų17256.7 Ų56.775%0.74831%0.308SS*.THydrogen-bonded Turntrans55.734.8-179.4-53.5-179.4-179.2-178.80113.9A460 F461 M466 L564A460-K464 PolarHBondContact O-N 3.44Å; F461-K464 PolarHBondContact O-N 3.38Å; K464-M466 PolarHBondContact O-N 3.43Å; K464-L564 HydrophobicContact CB-CD2 4.2Å; K464-L564 HydrophobicContact CG-CD2 4.12Å
465K98.4Very high98.4Very high102 Ų10257.7 Ų57.744%0.44332%0.316SS..  trans-93.985.5-177.3-77.4-177.4173.6-164.20110.6A460 N463 E468 L469A460-K465 HydrophobicContact CB-CB 4.35Å; A460-K465 PolarHBondContact O-N 3.29Å; N463-K465 HydrophobicContact CB-CD 4.01Å; N463-K465 HydrophobicContact CB-CG 4.01Å; N463-K465 PolarHBondContact O-N 2.92Å; K465-E468 HydrophobicContact CB-CB 4.08Å; K465-E468 HydrophobicContact CB-CG 4.32Å; K465-E468 WeakPolarHBondContact CB-OE2 3.26Å; K465-E468 HydrophobicContact CD-CG 4.38Å; K465-E468 WeakPolarHBondContact CD-OE1 3.22Å; K465-E468 IonicContact NZ-OE1 3.42Å; K465-E468 PolarHBondContact O-N 3.3Å; K465-L469 WeakPolarHBondContact O-CB 3.05Å; K465-L469 PolarHBondContact O-N 2.89Å
466M98.3Very high98.4Very high49 Ų4953.8 Ų53.824%0.24130%0.297CS..Hα-helixtrans-58.2-47-176.6-17866.682.100113.6K464 E468 L469 L470 V561 L564 D565K464-M466 PolarHBondContact O-N 3.43Å; M466-E468 VanDerWaalsContact C-N 3.33Å; M466-E468 PolarHBondContact O-N 3.47Å; M466-L469 PolarHBondContact O-N 3.08Å; M466-L470 HydrophobicContact CG-CD1 3.97Å; M466-L470 HydrophobicContact CG-CG 4.33Å; M466-L470 WeakPolarHBondContact O-CG 3.22Å; M466-L470 PolarHBondContact O-N 2.65Å; M466-L470 HydrophobicContact SD-CD1 4.19Å; M466-L470 HydrophobicContact SD-CD2 4.49Å; M466-L470 HydrophobicContact SD-CG 4.07Å; M466-V561 HydrophobicContact CE-CG1 4.22Å; M466-V561 HydrophobicContact SD-CG1 4.04Å; M466-V561 HydrophobicContact SD-CG2 4.39Å; M466-L564 HydrophobicContact CE-CB 3.59Å; M466-L564 HydrophobicContact CE-CD1 4.49Å; M466-D565 HydrophobicContact CE-CB 4.14Å
467P98.5Very high98.4Very high88 Ų8851.9 Ų51.957%0.57129%0.287SS*.Hα-helixtrans-60.6-41.1179.9-2435.6000113.2L470 T471P467-L470 PolarHBondContact O-N 3.47Å; P467-T471 WeakPolarHBondContact O-CB 3.45Å; P467-T471 PolarHBondContact O-N 2.98Å; P467-T471 PolarHBondContact O-OG1 3.49Å
468E98.6Very high98.4Very high86 Ų8660.7 Ų60.740%0.40232%0.322SS..Hα-helixtrans-68-40.9178.1-66.788.8147.100111.6A460 K465 M466 T471 A472A460-E468 HydrophobicContact CB-CB 3.8Å; K465-E468 HydrophobicContact CB-CB 4.08Å; K465-E468 HydrophobicContact CB-CG 4.32Å; K465-E468 WeakPolarHBondContact CB-OE2 3.26Å; K465-E468 HydrophobicContact CD-CG 4.38Å; K465-E468 WeakPolarHBondContact CD-OE1 3.22Å; K465-E468 IonicContact NZ-OE1 3.42Å; K465-E468 PolarHBondContact O-N 3.3Å; M466-E468 VanDerWaalsContact C-N 3.33Å; M466-E468 PolarHBondContact O-N 3.47Å; E468-T471 PolarHBondContact O-N 3.14Å; E468-A472 WeakPolarHBondContact O-CB 3.47Å; E468-A472 PolarHBondContact O-N 2.91Å
469L98.7Very high98.4Very high0 Ų061.5 Ų61.50%032%0.324CS..Hα-helixtrans-61-46.8174.8176.362.4000111.2I457 A460 F461 K465 M466 T471 G473 L560 V561 L564I457-L469 HydrophobicContact CB-CD1 4.41Å; I457-L469 HydrophobicContact CG2-CD1 3.77Å; A460-L469 HydrophobicContact CB-CB 3.95Å; F461-L469 HydrophobicContact CD2-CD2 4.31Å; K465-L469 WeakPolarHBondContact O-CB 3.05Å; K465-L469 PolarHBondContact O-N 2.89Å; M466-L469 PolarHBondContact O-N 3.08Å; L469-T471 VanDerWaalsContact C-N 3.3Å; L469-T471 PolarHBondContact O-N 2.85Å; L469-G473 WeakPolarHBondContact O-CA 3.49Å; L469-G473 PolarHBondContact O-N 3.19Å; L469-L560 HydrophobicContact CD1-CB 4.36Å; L469-L560 HydrophobicContact CD1-CD1 4.27Å; L469-L560 HydrophobicContact CD2-CB 4.01Å; L469-V561 HydrophobicContact CD2-CG2 3.81Å; L469-V561 HydrophobicContact CG-CG2 4.14Å; L469-L564 HydrophobicContact CD2-CD1 3.56Å; L469-L564 HydrophobicContact CD2-CG 4.31Å
470L98.6Very high98.4Very high93 Ų9356.8 Ų56.849%0.48730%0.299SS..Hα-helixtrans-63.3-37.4177.5-70.8173.5000111.8M466 P467 G474 V561M466-L470 HydrophobicContact CG-CD1 3.97Å; M466-L470 HydrophobicContact CG-CG 4.33Å; M466-L470 WeakPolarHBondContact O-CG 3.22Å; M466-L470 PolarHBondContact O-N 2.65Å; M466-L470 HydrophobicContact SD-CD1 4.19Å; M466-L470 HydrophobicContact SD-CD2 4.49Å; M466-L470 HydrophobicContact SD-CG 4.07Å; P467-L470 PolarHBondContact O-N 3.47Å; L470-G474 VanDerWaalsContact O-CA 3.31Å; L470-G474 WeakPolarHBondContact O-CA 3.23Å; L470-G474 PolarHBondContact O-N 3.47Å; L470-V561 HydrophobicContact CD2-CG1 4.28Å; L470-V561 HydrophobicContact CD2-CG2 3.75Å
471T98.4Very high98.4Very high93 Ų9356.7 Ų56.757%0.57130%0.298SS*.Hα-helixtrans-68.7-54.9178.8-57.80000111.2P467 E468 L469 G474 V475P467-T471 WeakPolarHBondContact O-CB 3.45Å; P467-T471 PolarHBondContact O-N 2.98Å; P467-T471 PolarHBondContact O-OG1 3.49Å; E468-T471 PolarHBondContact O-N 3.14Å; L469-T471 VanDerWaalsContact C-N 3.3Å; L469-T471 PolarHBondContact O-N 2.85Å; T471-G474 PolarHBondContact O-N 3.27Å; T471-V475 VanDerWaalsContact O-CG2 3.3Å; T471-V475 WeakPolarHBondContact O-CG2 3.38Å; T471-V475 PolarHBondContact O-N 3.24Å
472A98.6Very high98.5Very high8 Ų857 Ų577%0.06630%0.303CS..Hα-helixtrans-67-44.9-177.500000111.8F453 D456 I457 E468 V475 L476F453-A472 HydrophobicContact CD1-CB 4.4Å; D456-A472 HydrophobicContact CB-CB 3.72Å; I457-A472 HydrophobicContact CG1-CB 3.79Å; E468-A472 WeakPolarHBondContact O-CB 3.47Å; E468-A472 PolarHBondContact O-N 2.91Å; A472-V475 PolarHBondContact O-N 3.35Å; A472-L476 WeakPolarHBondContact O-CB 3.34Å; A472-L476 PolarHBondContact O-N 3.18Å
473G98.6Very high98.5Very high0 Ų054.2 Ų54.20%028%0.278CS..Hα-helixtrans-64.3-40.4175.800000112.7L469 L476 V477L469-G473 WeakPolarHBondContact O-CA 3.49Å; L469-G473 PolarHBondContact O-N 3.19Å; G473-L476 PolarHBondContact O-N 3.39Å; G473-V477 WeakPolarHBondContact O-CB 3.25Å; G473-V477 WeakPolarHBondContact O-CG2 3.49Å; G473-V477 PolarHBondContact O-N 3.43Å
474G98.4Very high98.5Very high21 Ų2149.1 Ų49.122%0.21625%0.251CS..Hα-helixtrans-64.7-44.7177.500000112.8L470 T471 Y478L470-G474 VanDerWaalsContact O-CA 3.31Å; L470-G474 WeakPolarHBondContact O-CA 3.23Å; L470-G474 PolarHBondContact O-N 3.47Å; T471-G474 PolarHBondContact O-N 3.27Å; G474-Y478 WeakPolarHBondContact O-CB 3.43Å; G474-Y478 PolarHBondContact O-N 2.84Å
475V98.5Very high98.6Very high36 Ų3641.6 Ų41.622%0.21822%0.218CC..Hα-helixtrans-64.3-41.9175.3173.70000111.1F453 T471 A472 D479 L480 Y612F453-V475 HydrophobicContact CD1-CB 4.5Å; F453-V475 HydrophobicContact CD1-CG1 4.38Å; F453-V475 HydrophobicContact CE1-CB 3.98Å; F453-V475 HydrophobicContact CE1-CG1 3.63Å; F453-V475 HydrophobicContact CE2-CG1 4.01Å; F453-V475 HydrophobicContact CZ-CB 4.29Å; F453-V475 HydrophobicContact CZ-CG1 3.42Å; F453-V475 VanDerWaalsContact CZ-CG1 3.42Å; T471-V475 VanDerWaalsContact O-CG2 3.3Å; T471-V475 WeakPolarHBondContact O-CG2 3.38Å; T471-V475 PolarHBondContact O-N 3.24Å; A472-V475 PolarHBondContact O-N 3.35Å; V475-D479 WeakPolarHBondContact O-CB 3.43Å; V475-D479 PolarHBondContact O-N 3.05Å; V475-L480 PolarHBondContact O-N 3.04Å; V475-Y612 HydrophobicContact CG1-CE1 4.36Å
476L98.8Very high98.6Very high0 Ų042.6 Ų42.60%022%0.219CC..Iπ-helixtrans-62.3-53.8178.4178.158.8000111.7T450 F453 I457 A472 G473 L480 L481 W553T450-L476 HydrophobicContact CG2-CD1 3.81Å; F453-L476 HydrophobicContact CB-CB 4.27Å; I457-L476 HydrophobicContact CD1-CB 4.34Å; I457-L476 HydrophobicContact CD1-CD2 3.64Å; A472-L476 WeakPolarHBondContact O-CB 3.34Å; A472-L476 PolarHBondContact O-N 3.18Å; G473-L476 PolarHBondContact O-N 3.39Å; L476-L480 HydrophobicContact CD1-CD2 4.3Å; L476-L481 HydrophobicContact CD1-CD1 4.14Å; L476-L481 HydrophobicContact CD1-CD2 4.3Å; L476-L481 HydrophobicContact CD1-CG 3.93Å; L476-L481 HydrophobicContact CG-CD1 4.25Å; L476-L481 HydrophobicContact CG-CG 4.47Å; L476-L481 VanDerWaalsContact O-CG 3.32Å; L476-L481 WeakPolarHBondContact O-CG 3.5Å; L476-L481 PolarHBondContact O-N 3.07Å; L476-L481 VanDerWaalsContact O-N 3.08Å; L476-W553 HydrophobicContact CD2-CD2 3.8Å; L476-W553 HydrophobicContact CD2-CE3 3.55Å; L476-W553 HydrophobicContact CD2-CG 4.31Å; L476-W553 HydrophobicContact CD2-CZ3 3.96Å
477V98.7Very high98.6Very high14 Ų1440.2 Ų40.29%0.08521%0.208CC..Iπ-helixtrans-79.7-41.9-168.2175.40000112.8G473 P482 W553 V557G473-V477 WeakPolarHBondContact O-CB 3.25Å; G473-V477 WeakPolarHBondContact O-CG2 3.49Å; G473-V477 PolarHBondContact O-N 3.43Å; V477-P482 VanDerWaalsContact O-CD 3.23Å; V477-P482 WeakPolarHBondContact O-CD 3.32Å; V477-P482 WeakPolarHBondContact O-CG 3.35Å; V477-W553 HydrophobicContact CG2-CB 4.23Å; V477-V557 HydrophobicContact CG2-CB 4.38Å; V477-V557 HydrophobicContact CG2-CG2 3.99Å
478Y98.3Very high98.7Very high186 Ų18636 Ų3673%0.72918%0.181SC*.Iπ-helixtrans-101.10.3-170.8-57-64.8000113.8G474G474-Y478 WeakPolarHBondContact O-CB 3.43Å; G474-Y478 PolarHBondContact O-N 2.84Å
479D98.4Very high98.7Very high32 Ų3232.9 Ų32.917%0.17117%0.168CC..Iπ-helixtrans-139.5-64.5-174.6-176.241.8000113.3V475 P482 E483 K611 Y612V475-D479 WeakPolarHBondContact O-CB 3.43Å; V475-D479 PolarHBondContact O-N 3.05Å; D479-P482 WeakPolarHBondContact O-CD 3.4Å; D479-E483 WeakPolarHBondContact O-CB 3.47Å; D479-E483 WeakPolarHBondContact O-CG 3.36Å; D479-E483 PolarHBondContact O-N 3.08Å; D479-K611 IonicContact OD1-NZ 3.99Å; D479-K611 PolarHBondContact OD1-NZ 3.2Å; D479-K611 WeakPolarHBondContact OD2-CE 3.38Å; D479-K611 IonicContact OD2-NZ 3.95Å; D479-K611 PolarHBondContact OD2-NZ 3.38Å; D479-Y612 PolarHBondContact OD1-OH 3.12Å; D479-Y612 PolarHBondContact OD2-OH 2.97Å
480L98.8Very high98.7Very high0 Ų033 Ų330%017%0.169CC..Iπ-helixtrans-62.7-51.5-176.3-173.3154000112.4L446 L449 T450 F453 V475 L476 E483 L484 Y612L446-L480 HydrophobicContact CB-CD2 4.36Å; L446-L480 HydrophobicContact CD2-CD1 4.46Å; L446-L480 HydrophobicContact CD2-CG 4.28Å; L449-L480 HydrophobicContact CB-CD1 3.84Å; T450-L480 VanDerWaalsContact OG1-CD2 3.3Å; T450-L480 WeakPolarHBondContact OG1-CD2 3.42Å; F453-L480 HydrophobicContact CD2-CD1 3.67Å; F453-L480 HydrophobicContact CE2-CD1 3.64Å; V475-L480 PolarHBondContact O-N 3.04Å; L476-L480 HydrophobicContact CD1-CD2 4.3Å; L480-E483 PolarHBondContact O-N 2.83Å; L480-L484 WeakPolarHBondContact O-CB 3.45Å; L480-L484 PolarHBondContact O-N 2.59Å; L480-Y612 VanDerWaalsContact CA-OH 3.28Å; L480-Y612 WeakPolarHBondContact CA-OH 3.22Å; L480-Y612 HydrophobicContact CB-CE1 4.44Å; L480-Y612 HydrophobicContact CD1-CE1 4.34Å; L480-Y612 PolarHBondContact N-OH 2.97Å
481L98.9Very high98.7Very high1 Ų128.9 Ų28.91%0.00515%0.148CC..Hα-helixtrans-66.2-41.1180-64.4176.6000112.5L395 L476 L484 N485 I545 A550 W553L395-L481 HydrophobicContact CD1-CD2 3.36Å; L476-L481 HydrophobicContact CD1-CD1 4.14Å; L476-L481 HydrophobicContact CD1-CD2 4.3Å; L476-L481 HydrophobicContact CD1-CG 3.93Å; L476-L481 HydrophobicContact CG-CD1 4.25Å; L476-L481 HydrophobicContact CG-CG 4.47Å; L476-L481 VanDerWaalsContact O-CG 3.32Å; L476-L481 WeakPolarHBondContact O-CG 3.5Å; L476-L481 PolarHBondContact O-N 3.07Å; L476-L481 VanDerWaalsContact O-N 3.08Å; L481-L484 HydrophobicContact CD2-CD2 4.45Å; L481-L484 PolarHBondContact O-N 3.16Å; L481-N485 WeakPolarHBondContact O-CB 3.38Å; L481-N485 PolarHBondContact O-N 2.72Å; L481-I545 HydrophobicContact CB-CG2 4.35Å; L481-I545 HydrophobicContact CD2-CG2 4.46Å; L481-I545 WeakPolarHBondContact O-CG2 3.35Å; L481-A550 HydrophobicContact CB-CB 4.08Å; L481-A550 HydrophobicContact CD1-CB 3.97Å; L481-W553 HydrophobicContact CD1-CB 3.92Å; L481-W553 HydrophobicContact CD1-CG 4.07Å
482P98.8Very high98.6Very high39 Ų3929.3 Ų29.325%0.25314%0.143SC..Hα-helixtrans-59.7-41.6170-30.337.8000114.6V477 D479 N485 R486V477-P482 VanDerWaalsContact O-CD 3.23Å; V477-P482 WeakPolarHBondContact O-CD 3.32Å; V477-P482 WeakPolarHBondContact O-CG 3.35Å; D479-P482 WeakPolarHBondContact O-CD 3.4Å; P482-N485 PolarHBondContact O-N 3.37Å; P482-R486 WeakPolarHBondContact O-CG 3.04Å; P482-R486 PolarHBondContact O-N 2.94Å
483E98.7Very high98.6Very high12 Ų1232.5 Ų32.56%0.05616%0.159CC..Hα-helixtrans-66.6-40.4175.5-77.1-59.8136.400111.8D479 L480 N485 R486 L487 R607 I608D479-E483 WeakPolarHBondContact O-CB 3.47Å; D479-E483 WeakPolarHBondContact O-CG 3.36Å; D479-E483 PolarHBondContact O-N 3.08Å; L480-E483 PolarHBondContact O-N 2.83Å; E483-N485 VanDerWaalsContact C-N 3.33Å; E483-N485 PolarHBondContact O-N 3.32Å; E483-R486 PolarHBondContact O-N 3.46Å; E483-R486 IonicContact OE1-CZ 3.75Å; E483-R486 IonicContact OE1-NH1 2.67Å; E483-R486 PolarHBondContact OE1-NH1 3.03Å; E483-L487 WeakPolarHBondContact O-CB 3.5Å; E483-L487 PolarHBondContact O-N 3.08Å; E483-R607 IonicContact OE1-CZ 3.21Å; E483-R607 IonicContact OE1-NE 2.75Å; E483-R607 PolarHBondContact OE1-NE 3.34Å; E483-R607 IonicContact OE1-NH2 2.67Å; E483-R607 PolarHBondContact OE1-NH2 3.02Å; E483-R607 IonicContact OE2-CZ 3.43Å; E483-R607 VanDerWaalsContact OE2-CZ 3.3Å; E483-R607 IonicContact OE2-NE 2.83Å; E483-R607 PolarHBondContact OE2-NE 3.11Å; E483-R607 IonicContact OE2-NH2 3.53Å; E483-R607 PolarHBondContact OE2-NH2 3.23Å; E483-I608 HydrophobicContact CB-CD1 4.09Å; E483-I608 HydrophobicContact CB-CG1 3.98Å; E483-I608 HydrophobicContact CG-CG1 4.35Å
484L98.9Very high98.6Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-58.8-45172.4177.361.3000111.3L395 R443 L446 L480 L481 R486 L487 L488 I545L395-L484 HydrophobicContact CD1-CD2 3.73Å; L395-L484 HydrophobicContact CD2-CD2 3.77Å; L395-L484 HydrophobicContact CG-CD2 4.4Å; R443-L484 HydrophobicContact CB-CD1 4.18Å; R443-L484 HydrophobicContact CG-CD1 3.88Å; L446-L484 HydrophobicContact CB-CD1 4.25Å; L446-L484 HydrophobicContact CD1-CB 3.85Å; L446-L484 HydrophobicContact CD1-CD1 4Å; L480-L484 WeakPolarHBondContact O-CB 3.45Å; L480-L484 PolarHBondContact O-N 2.59Å; L481-L484 HydrophobicContact CD2-CD2 4.45Å; L481-L484 PolarHBondContact O-N 3.16Å; L484-R486 VanDerWaalsContact C-N 3.35Å; L484-R486 PolarHBondContact O-N 3.32Å; L484-L487 PolarHBondContact O-N 2.78Å; L484-L488 HydrophobicContact CD1-CD1 3.83Å; L484-L488 HydrophobicContact CD1-CG 4.07Å; L484-L488 HydrophobicContact CG-CD1 3.89Å; L484-L488 VanDerWaalsContact O-CG 3.27Å; L484-L488 WeakPolarHBondContact O-CG 3.38Å; L484-L488 PolarHBondContact O-N 2.98Å; L484-I545 HydrophobicContact CB-CG2 4.45Å; L484-I545 HydrophobicContact CD2-CD1 4.06Å; L484-I545 HydrophobicContact CD2-CG1 4.16Å; L484-I545 HydrophobicContact CD2-CG2 4.17Å; L484-I545 HydrophobicContact CG-CG1 4.23Å; L484-I545 HydrophobicContact CG-CG2 4.3Å
485N98.9Very high98.6Very high13 Ų1332 Ų327%0.0715%0.151CC..Hα-helixtrans-60.6-43.1176.5-176.964.7000112.1L481 P482 E483 L488 S489 G542 G543 I545 E546L481-N485 WeakPolarHBondContact O-CB 3.38Å; L481-N485 PolarHBondContact O-N 2.72Å; P482-N485 PolarHBondContact O-N 3.37Å; E483-N485 VanDerWaalsContact C-N 3.33Å; E483-N485 PolarHBondContact O-N 3.32Å; N485-L488 PolarHBondContact O-N 2.99Å; N485-S489 VanDerWaalsContact O-CB 3.25Å; N485-S489 WeakPolarHBondContact O-CB 3.45Å; N485-S489 PolarHBondContact O-N 3.16Å; N485-S489 PolarHBondContact O-OG 2.95Å; N485-G542 WeakPolarHBondContact OD1-CA 3.35Å; N485-G543 PolarHBondContact OD1-N 3.38Å; N485-I545 HydrophobicContact CB-CB 4.1Å; N485-I545 HydrophobicContact CB-CG2 4.02Å; N485-E546 HydrophobicContact CB-CB 4.44Å; N485-E546 PolarHBondContact ND2-OE2 2.95Å
486R98.8Very high98.6Very high123 Ų12330.2 Ų30.246%0.46414%0.14SC..Hα-helixtrans-62.3-46.1176.3-72.6170.9-175.7164.13.2111.7P482 E483 L484 S489 S490 I604P482-R486 WeakPolarHBondContact O-CG 3.04Å; P482-R486 PolarHBondContact O-N 2.94Å; E483-R486 PolarHBondContact O-N 3.46Å; E483-R486 IonicContact OE1-CZ 3.75Å; E483-R486 IonicContact OE1-NH1 2.67Å; E483-R486 PolarHBondContact OE1-NH1 3.03Å; L484-R486 VanDerWaalsContact C-N 3.35Å; L484-R486 PolarHBondContact O-N 3.32Å; R486-S489 PolarHBondContact O-N 3.32Å; R486-S490 PolarHBondContact O-N 2.71Å; R486-I604 HydrophobicContact CB-CG2 4.34Å
487L98.9Very high98.6Very high0 Ų030.4 Ų30.40%014%0.142CC..Hα-helixtrans-57.7-5217717774.5000111V439 T442 R443 E483 L484 S489 S490 I604 A605 I608V439-L487 HydrophobicContact CG1-CG 4.2Å; V439-L487 HydrophobicContact CG2-CD1 4.1Å; V439-L487 HydrophobicContact CG2-CG 4.45Å; T442-L487 HydrophobicContact CG2-CD1 4.34Å; T442-L487 HydrophobicContact CG2-CD2 3.56Å; R443-L487 HydrophobicContact CB-CD2 4.47Å; E483-L487 WeakPolarHBondContact O-CB 3.5Å; E483-L487 PolarHBondContact O-N 3.08Å; L484-L487 PolarHBondContact O-N 2.78Å; L487-S489 VanDerWaalsContact C-N 3.27Å; L487-S489 PolarHBondContact O-N 3.2Å; L487-S490 WeakPolarHBondContact O-CB 3.13Å; L487-S490 PolarHBondContact O-N 2.95Å; L487-S490 PolarHBondContact O-OG 3.25Å; L487-I604 HydrophobicContact CB-CG2 4.03Å; L487-I604 HydrophobicContact CD1-CG2 4.25Å; L487-A605 HydrophobicContact CD1-CB 4.08Å; L487-I608 HydrophobicContact CB-CD1 3.85Å; L487-I608 HydrophobicContact CD1-CD1 4.34Å; L487-I608 HydrophobicContact CD2-CD1 4.38Å; L487-I608 HydrophobicContact CG-CD1 4.41Å
488L98.9Very high98.6Very high0 Ų031.1 Ų31.10%015%0.146CC..Hα-helixtrans-65.1-33.8-179.6-64.7168.8000111.9V439 R443 L484 N485 S490 N491 F494 Q540 I545V439-L488 HydrophobicContact CG1-CD2 4.13Å; R443-L488 HydrophobicContact CB-CD2 4.28Å; R443-L488 HydrophobicContact CG-CD2 3.98Å; L484-L488 HydrophobicContact CD1-CD1 3.83Å; L484-L488 HydrophobicContact CD1-CG 4.07Å; L484-L488 HydrophobicContact CG-CD1 3.89Å; L484-L488 VanDerWaalsContact O-CG 3.27Å; L484-L488 WeakPolarHBondContact O-CG 3.38Å; L484-L488 PolarHBondContact O-N 2.98Å; N485-L488 PolarHBondContact O-N 2.99Å; L488-S490 PolarHBondContact O-N 2.64Å; L488-N491 PolarHBondContact O-N 2.94Å; L488-F494 HydrophobicContact CB-CB 4.03Å; L488-F494 HydrophobicContact CD2-CB 3.82Å; L488-F494 HydrophobicContact CD2-CD1 3.61Å; L488-F494 HydrophobicContact CD2-CE1 4.35Å; L488-F494 HydrophobicContact CD2-CG 3.81Å; L488-F494 WeakPolarHBondContact O-CB 3.45Å; L488-Q540 HydrophobicContact CD1-CB 4.26Å; L488-Q540 WeakPolarHBondContact CD1-O 3.15Å; L488-Q540 WeakPolarHBondContact CD2-O 3Å; L488-I545 HydrophobicContact CD1-CD1 4.28Å; L488-I545 HydrophobicContact CD1-CG1 3.52Å
489S98.8Very high98.6Very high19 Ų1923 Ų2313%0.13312%0.115CC..Hα-helixtrans-69.4-13.7175.6-58.50000113.7N485 R486 L487 G542 P597 Q598N485-S489 VanDerWaalsContact O-CB 3.25Å; N485-S489 WeakPolarHBondContact O-CB 3.45Å; N485-S489 PolarHBondContact O-N 3.16Å; N485-S489 PolarHBondContact O-OG 2.95Å; R486-S489 PolarHBondContact O-N 3.32Å; L487-S489 VanDerWaalsContact C-N 3.27Å; L487-S489 PolarHBondContact O-N 3.2Å; S489-G542 WeakPolarHBondContact OG-CA 3.34Å; S489-P597 CarbonylContact O-C 3.5Å; S489-P597 WeakPolarHBondContact O-CA 3.46Å; S489-Q598 PolarHBondContact O-N 2.92Å
490S98.8Very high98.6Very high4 Ų421.8 Ų21.83%0.02811%0.108CC..THydrogen-bonded Turntrans-85.3-3.4-179.974.40000114.5R486 L487 L488 P597 Q598 T601R486-S490 PolarHBondContact O-N 2.71Å; L487-S490 WeakPolarHBondContact O-CB 3.13Å; L487-S490 PolarHBondContact O-N 2.95Å; L487-S490 PolarHBondContact O-OG 3.25Å; L488-S490 PolarHBondContact O-N 2.64Å; S490-P597 WeakPolarHBondContact O-CB 3.44Å; S490-Q598 VanDerWaalsContact CA-O 3.31Å; S490-Q598 WeakPolarHBondContact CA-O 3.17Å; S490-Q598 WeakPolarHBondContact CB-O 3.34Å; S490-T601 PolarHBondContact O-OG1 2.94Å; S490-T601 VanDerWaalsContact O-OG1 3.11Å; S490-T601 PolarHBondContact OG-OG1 3.44Å
491N98.5Very high98.6Very high6 Ų626.7 Ų26.73%0.03213%0.131CC..SBendtrans-136135.6-179.4-171.7-65.2000111.9V439 L488 N493 F494 L495V439-N491 HydrophobicContact CG2-CB 4.05Å; L488-N491 PolarHBondContact O-N 2.94Å; N491-N493 PolarHBondContact O-N 3.05Å; N491-N493 VanDerWaalsContact O-N 3.08Å; N491-N493 WeakPolarHBondContact OD1-CB 3.14Å; N491-N493 PolarHBondContact OD1-N 3.27Å; N491-N493 PolarHBondContact OD1-ND2 3.35Å; N491-F494 HydrophobicContact CB-CD2 4.09Å; N491-F494 PolarHBondContact O-N 3.13Å; N491-F494 VanDerWaalsContact O-N 3.15Å; N491-L495 WeakPolarHBondContact O-CG 3.43Å
492Q97.6Very high98.6Very high102 Ų10230.7 Ų30.748%0.47715%0.146SC..G310 helixtrans-62.1-22.5-172.563.9-177.62.800114.3E432 F494 P597E432-Q492 PolarHBondContact OE1-NE2 3.26Å; Q492-F494 VanDerWaalsContact C-N 3.28Å; Q492-F494 PolarHBondContact O-N 3.01Å; Q492-P597 HydrophobicContact CB-CG 3.93Å
493N97.6Very high98.6Very high74 Ų7428.8 Ų28.840%0.39613%0.134SC..G310 helixtrans-81.9-4.7-177.3-58.1-70.7000113.4Y436 N491Y436-N493 HydrophobicContact CD2-CB 3.69Å; Y436-N493 HydrophobicContact CE2-CB 3.74Å; N491-N493 PolarHBondContact O-N 3.05Å; N491-N493 VanDerWaalsContact O-N 3.08Å; N491-N493 WeakPolarHBondContact OD1-CB 3.14Å; N491-N493 PolarHBondContact OD1-N 3.27Å; N491-N493 PolarHBondContact OD1-ND2 3.35Å
494F98.8Very high98.5Very high1 Ų130.7 Ų30.70%0.00414%0.143CC..G310 helixtrans-126.527.6-174.9-61.6-89.1000112.7Y436 V439 D440 L488 N491 Q492 W541 G542Y436-F494 AromaticContact CD2-CE2 3.64Å; Y436-F494 HydrophobicContact CD2-CE2 3.64Å; Y436-F494 HydrophobicContact CD2-CZ 4.02Å; Y436-F494 AromaticContact CE2-CE2 3.68Å; Y436-F494 HydrophobicContact CE2-CE2 3.68Å; Y436-F494 AromaticContact CE2-CZ 3.64Å; Y436-F494 HydrophobicContact CE2-CZ 3.64Å; Y436-F494 HydrophobicContact CG-CE2 4.36Å; Y436-F494 AromaticContact CZ-CZ 3.98Å; V439-F494 HydrophobicContact CB-CE2 4.13Å; V439-F494 HydrophobicContact CG1-CD2 3.68Å; V439-F494 HydrophobicContact CG1-CE2 3.62Å; V439-F494 HydrophobicContact CG1-CG 4.19Å; V439-F494 HydrophobicContact CG1-CZ 4.08Å; D440-F494 HydrophobicContact CB-CZ 4.07Å; L488-F494 HydrophobicContact CB-CB 4.03Å; L488-F494 HydrophobicContact CD2-CB 3.82Å; L488-F494 HydrophobicContact CD2-CD1 3.61Å; L488-F494 HydrophobicContact CD2-CE1 4.35Å; L488-F494 HydrophobicContact CD2-CG 3.81Å; L488-F494 WeakPolarHBondContact O-CB 3.45Å; N491-F494 HydrophobicContact CB-CD2 4.09Å; N491-F494 PolarHBondContact O-N 3.13Å; N491-F494 VanDerWaalsContact O-N 3.15Å; Q492-F494 VanDerWaalsContact C-N 3.28Å; Q492-F494 PolarHBondContact O-N 3.01Å; F494-W541 CarbonylContact O-C 3.59Å; F494-W541 WeakPolarHBondContact O-CA 3.31Å; F494-W541 WeakPolarHBondContact O-CB 3.47Å; F494-G542 PolarHBondContact O-N 2.78Å
495L98.8Very high98.4Very high9 Ų934.6 Ų34.65%0.04717%0.17CC..BIsolated β-bridgetrans-103.8123-175.5-55.2-177.1000112.2N491 G497 T498N491-L495 WeakPolarHBondContact O-CG 3.43Å; L495-G497 PolarHBondContact O-N 2.86Å; L495-T498 PolarHBondContact O-N 3.3Å
496L98.8Very high98.2Very high0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-60.4-37.3170173.763.5000111T498 W499 L500 W541 G542 L544 F586 Y593L496-T498 VanDerWaalsContact C-N 3.26Å; L496-T498 PolarHBondContact O-N 3.01Å; L496-W499 WeakPolarHBondContact O-CB 3.19Å; L496-W499 PolarHBondContact O-N 3.39Å; L496-W499 VanDerWaalsContact O-N 3.07Å; L496-L500 HydrophobicContact CD1-CD1 4Å; L496-L500 HydrophobicContact CD1-CD2 4.29Å; L496-L500 HydrophobicContact CD1-CG 3.93Å; L496-L500 HydrophobicContact CD2-CD1 4.14Å; L496-L500 HydrophobicContact CG-CD1 3.77Å; L496-L500 HydrophobicContact CG-CG 4.12Å; L496-L500 PolarHBondContact O-N 3.12Å; L496-L500 VanDerWaalsContact O-N 3.09Å; L496-W541 HydrophobicContact CB-CB 4.21Å; L496-W541 HydrophobicContact CB-CE3 4.34Å; L496-W541 HydrophobicContact CD1-CE3 3.87Å; L496-W541 HydrophobicContact CD1-CZ3 4.19Å; L496-G542 WeakPolarHBondContact CB-O 3.07Å; L496-G542 PolarHBondContact N-O 2.93Å; L496-G542 VanDerWaalsContact N-O 3.11Å; L496-L544 HydrophobicContact CB-CB 4.47Å; L496-L544 HydrophobicContact CD2-CB 4.11Å; L496-F586 HydrophobicContact CD2-CE2 3.97Å; L496-F586 HydrophobicContact CD2-CZ 3.79Å; L496-Y593 HydrophobicContact CD2-CD1 4.21Å; L496-Y593 HydrophobicContact CD2-CD2 3.74Å; L496-Y593 HydrophobicContact CD2-CE1 4.13Å; L496-Y593 HydrophobicContact CD2-CE2 3.62Å; L496-Y593 HydrophobicContact CD2-CG 4.03Å; L496-Y593 HydrophobicContact CG-CD2 4.18Å; L496-Y593 HydrophobicContact CG-CG 4.38Å
497G98.6Very high98.2Very high3 Ų330.8 Ų30.83%0.03116%0.16CC..Hα-helixtrans-58.1-38-179.300000113L495 W499 L500 E501 P594L495-G497 PolarHBondContact O-N 2.86Å; G497-W499 VanDerWaalsContact C-N 3.33Å; G497-W499 PolarHBondContact O-N 2.88Å; G497-L500 PolarHBondContact O-N 2.67Å; G497-E501 VanDerWaalsContact O-CB 3.23Å; G497-E501 WeakPolarHBondContact O-CB 3.31Å; G497-E501 PolarHBondContact O-N 3.08Å; G497-P594 WeakPolarHBondContact CA-O 3.3Å
498T98.4Very high98Very high29 Ų2936.8 Ų36.818%0.17819%0.191CC..Hα-helixtrans-63.3-39.2176.7-56.90000112L495 L496 R502L495-T498 PolarHBondContact O-N 3.3Å; L496-T498 VanDerWaalsContact C-N 3.26Å; L496-T498 PolarHBondContact O-N 3.01Å; T498-R502 WeakPolarHBondContact O-CB 3.44Å; T498-R502 WeakPolarHBondContact O-CG 3.42Å; T498-R502 PolarHBondContact O-N 3.11Å; T498-R502 VanDerWaalsContact O-N 3.15Å
499W98.6Very high98Very high16 Ų1640.4 Ų40.46%0.06121%0.211CC..Hα-helixtrans-65.6-47.4176.9177.6-113000112V22 W23 L496 G497 R502 A503 A520 W541V22-W499 HydrophobicContact CG1-CH2 3.54Å; V22-W499 HydrophobicContact CG1-CZ2 4.05Å; V22-W499 HydrophobicContact CG1-CZ3 4.42Å; W23-W499 AromaticContact CD1-CD2 3.79Å; W23-W499 AromaticContact CD1-CE2 3.66Å; W23-W499 AromaticContact CD1-CE3 3.71Å; W23-W499 AromaticContact CD1-CH2 3.44Å; W23-W499 VanDerWaalsContact CD1-CH2 3.44Å; W23-W499 AromaticContact CD1-CZ2 3.5Å; W23-W499 VanDerWaalsContact CD1-CZ2 3.5Å; W23-W499 AromaticContact CD1-CZ3 3.54Å; W23-W499 AromaticContact NE1-CE2 3.48Å; W23-W499 AromaticContact NE1-CH2 3.62Å; W23-W499 AromaticContact NE1-CZ2 3.23Å; L496-W499 WeakPolarHBondContact O-CB 3.19Å; L496-W499 PolarHBondContact O-N 3.39Å; L496-W499 VanDerWaalsContact O-N 3.07Å; G497-W499 VanDerWaalsContact C-N 3.33Å; G497-W499 PolarHBondContact O-N 2.88Å; W499-R502 PolarHBondContact O-N 3.48Å; W499-A503 PolarHBondContact O-N 3.35Å; W499-A503 VanDerWaalsContact O-N 3.12Å; W499-A520 PolarHBondContact NE1-O 2.87Å; W499-W541 HydrophobicContact CB-CE3 4.48Å; W499-W541 HydrophobicContact CB-CH2 3.97Å; W499-W541 HydrophobicContact CB-CZ3 3.74Å; W499-W541 AromaticContact CD1-CZ3 3.76Å; W499-W541 HydrophobicContact CD2-CH2 4Å; W499-W541 HydrophobicContact CD2-CZ3 4.32Å; W499-W541 HydrophobicContact CE3-CH2 4.39Å; W499-W541 AromaticContact CG-CH2 3.8Å; W499-W541 HydrophobicContact CG-CH2 3.8Å; W499-W541 AromaticContact CG-CZ3 3.67Å; W499-W541 HydrophobicContact CG-CZ3 3.67Å
500L98.7Very high97.9Very high7 Ų746.6 Ų46.64%0.03724%0.238CC..Hα-helixtrans-70.5-39.1-178-60.3178.1000112.6L496 G497 R502 A503 Q504 A520 R521 Y593L496-L500 HydrophobicContact CD1-CD1 4Å; L496-L500 HydrophobicContact CD1-CD2 4.29Å; L496-L500 HydrophobicContact CD1-CG 3.93Å; L496-L500 HydrophobicContact CD2-CD1 4.14Å; L496-L500 HydrophobicContact CG-CD1 3.77Å; L496-L500 HydrophobicContact CG-CG 4.12Å; L496-L500 PolarHBondContact O-N 3.12Å; L496-L500 VanDerWaalsContact O-N 3.09Å; G497-L500 PolarHBondContact O-N 2.67Å; L500-R502 VanDerWaalsContact C-N 3.35Å; L500-A503 WeakPolarHBondContact O-CB 3.43Å; L500-A503 PolarHBondContact O-N 3.49Å; L500-Q504 WeakPolarHBondContact O-CG 3.49Å; L500-Q504 PolarHBondContact O-N 2.98Å; L500-A520 HydrophobicContact CD2-CB 3.72Å; L500-R521 HydrophobicContact CD2-CG 3.72Å; L500-Y593 HydrophobicContact CD1-CD2 3.65Å; L500-Y593 HydrophobicContact CD1-CE2 4.04Å
501E98.3Very high97.8Very high103 Ų10356 Ų5648%0.48127%0.273SS..Hα-helixtrans-63.8-41.9175.6-175.565.3-159.600111G497 A503 Q504 S505 T595G497-E501 VanDerWaalsContact O-CB 3.23Å; G497-E501 WeakPolarHBondContact O-CB 3.31Å; G497-E501 PolarHBondContact O-N 3.08Å; E501-A503 VanDerWaalsContact C-N 3.29Å; E501-A503 PolarHBondContact O-N 2.9Å; E501-Q504 PolarHBondContact O-N 2.96Å; E501-S505 VanDerWaalsContact O-CB 3.26Å; E501-S505 WeakPolarHBondContact O-CB 3.15Å; E501-S505 PolarHBondContact O-N 2.87Å; E501-S505 PolarHBondContact O-OG 2.98Å; E501-T595 HydrophobicContact CB-CG2 3.63Å; E501-T595 HydrophobicContact CG-CG2 3.97Å
502R98.1Very high97.8Very high84 Ų8456.9 Ų56.932%0.31728%0.276SS..Hα-helixtrans-59.3-41.2173.5-75.7174.2-178174.13.8111.5W23 T498 W499 L500 S505 K506W23-R502 HydrophobicContact CB-CB 3.71Å; T498-R502 WeakPolarHBondContact O-CB 3.44Å; T498-R502 WeakPolarHBondContact O-CG 3.42Å; T498-R502 PolarHBondContact O-N 3.11Å; T498-R502 VanDerWaalsContact O-N 3.15Å; W499-R502 PolarHBondContact O-N 3.48Å; L500-R502 VanDerWaalsContact C-N 3.35Å; R502-S505 PolarHBondContact O-OG 3.33Å; R502-K506 WeakPolarHBondContact O-CG 3.45Å
503A98.3Very high97.8Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-63.5-52.4176.100000111.9W23 W499 L500 E501 S505 K506 Y516 A520W23-A503 HydrophobicContact CD2-CB 3.57Å; W23-A503 VanDerWaalsContact CE2-CB 3.47Å; W23-A503 HydrophobicContact CE3-CB 4.05Å; W23-A503 HydrophobicContact CG-CB 3.88Å; W23-A503 HydrophobicContact CH2-CB 4.31Å; W23-A503 HydrophobicContact CZ2-CB 3.88Å; W23-A503 HydrophobicContact CZ3-CB 4.39Å; W499-A503 PolarHBondContact O-N 3.35Å; W499-A503 VanDerWaalsContact O-N 3.12Å; L500-A503 WeakPolarHBondContact O-CB 3.43Å; L500-A503 PolarHBondContact O-N 3.49Å; E501-A503 VanDerWaalsContact C-N 3.29Å; E501-A503 PolarHBondContact O-N 2.9Å; A503-S505 VanDerWaalsContact C-N 3.34Å; A503-S505 PolarHBondContact O-N 3.46Å; A503-K506 WeakPolarHBondContact O-CB 3.25Å; A503-K506 PolarHBondContact O-N 2.81Å; A503-Y516 WeakPolarHBondContact O-CD2 3.35Å; A503-A520 HydrophobicContact CB-CB 3.78Å
504Q97.5Very high97.8Very high52 Ų5255 Ų5524%0.24327%0.269CS..Hα-helixtrans-65.5-35.1-177.3-67.5179.810.700112.5L500 E501 K506 A507 A513 D517L500-Q504 WeakPolarHBondContact O-CG 3.49Å; L500-Q504 PolarHBondContact O-N 2.98Å; E501-Q504 PolarHBondContact O-N 2.96Å; Q504-K506 PolarHBondContact O-N 3.25Å; Q504-K506 VanDerWaalsContact O-N 3.11Å; Q504-A507 VanDerWaalsContact O-CB 3.22Å; Q504-A507 WeakPolarHBondContact O-CB 3.47Å; Q504-A507 PolarHBondContact O-N 2.66Å; Q504-A513 HydrophobicContact CB-CB 4.45Å; Q504-A513 HydrophobicContact CG-CB 4.46Å; Q504-D517 HydrophobicContact CG-CB 4.25Å; Q504-D517 PolarHBondContact NE2-OD1 2.79Å
505S96.8Very high97.8Very high81 Ų8156.5 Ų56.557%0.56628%0.277SS*.THydrogen-bonded Turntrans-64.2-13.4177.368.10000114.7E501 R502 A503 A507E501-S505 VanDerWaalsContact O-CB 3.26Å; E501-S505 WeakPolarHBondContact O-CB 3.15Å; E501-S505 PolarHBondContact O-N 2.87Å; E501-S505 PolarHBondContact O-OG 2.98Å; R502-S505 PolarHBondContact O-OG 3.33Å; A503-S505 VanDerWaalsContact C-N 3.34Å; A503-S505 PolarHBondContact O-N 3.46Å; S505-A507 VanDerWaalsContact C-N 3.35Å
506K95.8Very high97.8Very high35 Ų3556.1 Ų56.115%0.15228%0.275CS..THydrogen-bonded Turntrans-80.6-17.1172.9-60.8-62.5173.7179.80113.5W23 W24 D25 R502 A503 Q504 Y516W23-K506 VanDerWaalsContact C-CE 3.46Å; W23-K506 HydrophobicContact CE3-CG 4.22Å; W23-K506 WeakPolarHBondContact O-CE 3.13Å; W24-K506 WeakPolarHBondContact O-CE 3.23Å; W24-K506 PolarHBondContact O-NZ 3.2Å; D25-K506 VanDerWaalsContact N-NZ 3.17Å; R502-K506 WeakPolarHBondContact O-CG 3.45Å; A503-K506 WeakPolarHBondContact O-CB 3.25Å; A503-K506 PolarHBondContact O-N 2.81Å; Q504-K506 PolarHBondContact O-N 3.25Å; Q504-K506 VanDerWaalsContact O-N 3.11Å; K506-Y516 HydrophobicContact CB-CD2 3.98Å; K506-Y516 HydrophobicContact CB-CE2 3.82Å
507A96.8Very high97.8Very high22 Ų2256.8 Ų56.818%0.18228%0.278CS..  trans-76.8142.4-174.600000112.1Q504 S505 E512 A513 Y516Q504-A507 VanDerWaalsContact O-CB 3.22Å; Q504-A507 WeakPolarHBondContact O-CB 3.47Å; Q504-A507 PolarHBondContact O-N 2.66Å; S505-A507 VanDerWaalsContact C-N 3.35Å; A507-E512 HydrophobicContact CB-CB 3.58Å; A507-A513 VanDerWaalsContact CB-CA 3.5Å; A507-A513 HydrophobicContact CB-CB 3.74Å; A507-Y516 HydrophobicContact CB-CD2 4.03Å; A507-Y516 HydrophobicContact CB-CE2 4.21Å
508L96.6Very high97.8Very high125 Ų12558 Ų5865%0.65428%0.284SS*.SBendtrans-83.8-20170.6-66.3-173.1000113.4E512L508-E512 PolarHBondContact N-OE2 3.22Å
509N97.3Very high97.8Very high77 Ų7756.7 Ų56.741%0.41228%0.275SS..SBendtrans-154172-174.959.668.9000111R511 E512 A513N509-R511 VanDerWaalsContact C-N 3.31Å; N509-R511 PolarHBondContact O-N 2.84Å; N509-R511 WeakPolarHBondContact OD1-CB 3.44Å; N509-R511 PolarHBondContact OD1-N 3.22Å; N509-R511 VanDerWaalsContact OD1-N 3.12Å; N509-E512 PolarHBondContact ND2-OE1 3.33Å; N509-E512 PolarHBondContact O-N 3.35Å; N509-E512 PolarHBondContact OD1-N 3.31Å; N509-A513 PolarHBondContact O-N 2.97Å
510E96.8Very high97.8Very high149 Ų14955.9 Ų55.970%0.69627%0.272SS*.Hα-helixtrans-61.8-35.1-175.8-171.1175.5-179.700113.5A513 Q514E510-A513 PolarHBondContact O-N 2.64Å; E510-Q514 VanDerWaalsContact O-CG 3.31Å; E510-Q514 WeakPolarHBondContact O-CG 3.39Å; E510-Q514 PolarHBondContact O-N 3.09Å
511R97.3Very high97.8Very high201 Ų20155.6 Ų55.676%0.75827%0.271SS*.Hα-helixtrans-66-43178.6-175.8179.9178.7-174.2-2.3111.3N509 A513 Q514 L515N509-R511 VanDerWaalsContact C-N 3.31Å; N509-R511 PolarHBondContact O-N 2.84Å; N509-R511 WeakPolarHBondContact OD1-CB 3.44Å; N509-R511 PolarHBondContact OD1-N 3.22Å; N509-R511 VanDerWaalsContact OD1-N 3.12Å; R511-A513 VanDerWaalsContact C-N 3.34Å; R511-Q514 PolarHBondContact O-N 2.8Å; R511-L515 PolarHBondContact O-N 3.49Å
512E98.1Very high97.9Very high24 Ų2450.8 Ų50.811%0.11225%0.248CC..Hα-helixtrans-65.1-39.1173.3-71.5179.5-155.700111.4P94 S96 A507 L508 N509 Q514 L515 Y516P94-E512 HydrophobicContact CB-CG 3.96Å; P94-E512 HydrophobicContact CG-CG 3.77Å; S96-E512 PolarHBondContact OG-OE1 3.4Å; S96-E512 PolarHBondContact OG-OE2 3.09Å; A507-E512 HydrophobicContact CB-CB 3.58Å; L508-E512 PolarHBondContact N-OE2 3.22Å; N509-E512 PolarHBondContact ND2-OE1 3.33Å; N509-E512 PolarHBondContact O-N 3.35Å; N509-E512 PolarHBondContact OD1-N 3.31Å; E512-Q514 VanDerWaalsContact C-N 3.35Å; E512-Q514 PolarHBondContact O-N 3.38Å; E512-L515 WeakPolarHBondContact O-CB 3.48Å; E512-L515 PolarHBondContact O-N 2.96Å; E512-Y516 HydrophobicContact CB-CE2 4.42Å; E512-Y516 VanDerWaalsContact O-CG 3.27Å; E512-Y516 PolarHBondContact O-N 2.81Å
513A98.1Very high97.9Very high21 Ų2146.8 Ų46.817%0.17423%0.233CC..Hα-helixtrans-63.1-41.9178.200000111.6Q504 A507 N509 E510 R511 Y516 D517Q504-A513 HydrophobicContact CB-CB 4.45Å; Q504-A513 HydrophobicContact CG-CB 4.46Å; A507-A513 VanDerWaalsContact CB-CA 3.5Å; A507-A513 HydrophobicContact CB-CB 3.74Å; N509-A513 PolarHBondContact O-N 2.97Å; E510-A513 PolarHBondContact O-N 2.64Å; R511-A513 VanDerWaalsContact C-N 3.34Å; A513-Y516 PolarHBondContact O-N 2.97Å; A513-D517 VanDerWaalsContact O-CB 3.29Å; A513-D517 WeakPolarHBondContact O-CB 3.35Å; A513-D517 PolarHBondContact O-N 2.95Å
514Q98.1Very high97.9Very high116 Ų11646.8 Ų46.854%0.54223%0.233SC..Hα-helixtrans-64.7-40.7174.5-71.1171.74.800112E510 R511 E512 M518E510-Q514 VanDerWaalsContact O-CG 3.31Å; E510-Q514 WeakPolarHBondContact O-CG 3.39Å; E510-Q514 PolarHBondContact O-N 3.09Å; R511-Q514 PolarHBondContact O-N 2.8Å; E512-Q514 VanDerWaalsContact C-N 3.35Å; E512-Q514 PolarHBondContact O-N 3.38Å; Q514-M518 WeakPolarHBondContact O-CB 3.46Å; Q514-M518 PolarHBondContact O-N 2.77Å
515L98.4Very high98Very high33 Ų3344.3 Ų44.317%0.17322%0.222CC..Hα-helixtrans-60.8-47.4175.4-178.667.8000111.3G90 P92 P94 R511 E512 M518 N519G90-L515 VanDerWaalsContact O-CD1 3.31Å; G90-L515 WeakPolarHBondContact O-CD1 3.32Å; P92-L515 WeakPolarHBondContact O-CD2 3.35Å; P94-L515 HydrophobicContact CG-CD2 3.96Å; R511-L515 PolarHBondContact O-N 3.49Å; E512-L515 WeakPolarHBondContact O-CB 3.48Å; E512-L515 PolarHBondContact O-N 2.96Å; L515-M518 HydrophobicContact CD1-CE 4Å; L515-M518 PolarHBondContact O-N 2.82Å; L515-N519 PolarHBondContact O-N 2.96Å; L515-N519 PolarHBondContact O-ND2 3.3Å
516Y98.8Very high98.1Very high1 Ų140.6 Ų40.60%0.00420%0.195CC..Hα-helixtrans-71.3-35.4-178.5-62.6-16.4000112.4W23 P75 P94 A503 K506 A507 E512 A513 N519 A520W23-Y516 HydrophobicContact CH2-CD1 4.03Å; W23-Y516 HydrophobicContact CH2-CG 4.01Å; W23-Y516 HydrophobicContact CZ3-CD1 4.04Å; W23-Y516 HydrophobicContact CZ3-CD2 4.27Å; W23-Y516 AromaticContact CZ3-CG 3.85Å; W23-Y516 HydrophobicContact CZ3-CG 3.85Å; P75-Y516 HydrophobicContact CG-CD1 3.94Å; P75-Y516 HydrophobicContact CG-CE1 3.61Å; P94-Y516 HydrophobicContact CG-CE1 4.25Å; A503-Y516 WeakPolarHBondContact O-CD2 3.35Å; K506-Y516 HydrophobicContact CB-CD2 3.98Å; K506-Y516 HydrophobicContact CB-CE2 3.82Å; A507-Y516 HydrophobicContact CB-CD2 4.03Å; A507-Y516 HydrophobicContact CB-CE2 4.21Å; E512-Y516 HydrophobicContact CB-CE2 4.42Å; E512-Y516 VanDerWaalsContact O-CG 3.27Å; E512-Y516 PolarHBondContact O-N 2.81Å; A513-Y516 PolarHBondContact O-N 2.97Å; Y516-N519 PolarHBondContact O-N 3.28Å; Y516-A520 WeakPolarHBondContact O-CB 3.45Å; Y516-A520 PolarHBondContact O-N 2.78Å
517D98.7Very high98.2Very high13 Ų1339 Ų397%0.0719%0.188CC..Hα-helixtrans-61.9-46.5172.1-173.477.7000111.6Q504 A513 N519 A520 R521Q504-D517 HydrophobicContact CG-CB 4.25Å; Q504-D517 PolarHBondContact NE2-OD1 2.79Å; A513-D517 VanDerWaalsContact O-CB 3.29Å; A513-D517 WeakPolarHBondContact O-CB 3.35Å; A513-D517 PolarHBondContact O-N 2.95Å; D517-N519 PolarHBondContact O-N 3.27Å; D517-A520 PolarHBondContact O-N 2.91Å; D517-R521 VanDerWaalsContact CG-NE 3.3Å; D517-R521 WeakPolarHBondContact O-CG 3.44Å; D517-R521 PolarHBondContact O-N 3.42Å; D517-R521 IonicContact OD1-CZ 3.27Å; D517-R521 IonicContact OD1-NE 2.86Å; D517-R521 PolarHBondContact OD1-NE 2.96Å; D517-R521 IonicContact OD1-NH2 3.25Å; D517-R521 PolarHBondContact OD1-NH2 2.91Å; D517-R521 IonicContact OD2-CZ 3.25Å; D517-R521 IonicContact OD2-NE 3.28Å; D517-R521 PolarHBondContact OD2-NE 3.08Å; D517-R521 IonicContact OD2-NH2 2.73Å
518M98.5Very high98.2Very high30 Ų3038 Ų3815%0.14818%0.18CC..Hα-helixtrans-59.7-46.9174.9176.6-79.1-70.800111.4Q514 L515 A520 R521 N522 I587 Y588Q514-M518 WeakPolarHBondContact O-CB 3.46Å; Q514-M518 PolarHBondContact O-N 2.77Å; L515-M518 HydrophobicContact CD1-CE 4Å; L515-M518 PolarHBondContact O-N 2.82Å; M518-A520 PolarHBondContact O-N 2.82Å; M518-R521 PolarHBondContact O-N 3.45Å; M518-N522 WeakPolarHBondContact O-CB 3.37Å; M518-N522 PolarHBondContact O-N 3.45Å; M518-N522 HydrophobicContact SD-CB 4.33Å; M518-I587 HydrophobicContact CG-CG2 3.91Å; M518-Y588 HydrophobicContact CG-CE1 3.75Å
519N98.9Very high98.3Very high0 Ų033.9 Ų33.90%016%0.161CC..Hα-helixtrans-57.7-48.7176.9-89.9-102000111.2W23 G74 A76 G90 L515 Y516 D517 R521 Q523W23-N519 HydrophobicContact CH2-CB 4.19Å; W23-N519 HydrophobicContact CZ2-CB 4.13Å; G74-N519 WeakPolarHBondContact CA-OD1 3.47Å; A76-N519 HydrophobicContact CB-CB 3.83Å; A76-N519 PolarHBondContact N-OD1 3.02Å; G90-N519 PolarHBondContact O-ND2 2.89Å; L515-N519 PolarHBondContact O-N 2.96Å; L515-N519 PolarHBondContact O-ND2 3.3Å; Y516-N519 PolarHBondContact O-N 3.28Å; D517-N519 PolarHBondContact O-N 3.27Å; N519-R521 PolarHBondContact O-N 3.27Å; N519-Q523 WeakPolarHBondContact O-CB 3.12Å; N519-Q523 PolarHBondContact O-N 2.91Å
520A98.8Very high98.2Very high0 Ų033.9 Ų33.90%017%0.167CC..Hα-helixtrans-64.4-37.3-176.600000112.8W23 W499 L500 A503 Y516 D517 M518W23-A520 HydrophobicContact CZ2-CB 4.1Å; W499-A520 PolarHBondContact NE1-O 2.87Å; L500-A520 HydrophobicContact CD2-CB 3.72Å; A503-A520 HydrophobicContact CB-CB 3.78Å; Y516-A520 WeakPolarHBondContact O-CB 3.45Å; Y516-A520 PolarHBondContact O-N 2.78Å; D517-A520 PolarHBondContact O-N 2.91Å; M518-A520 PolarHBondContact O-N 2.82Å
521R98.8Very high98.2Very high1 Ų127.6 Ų27.60%0.00414%0.142CC..Hα-helixtrans-77.2-45.9176.6-68.1170.5-172.1-95-3.9112.6L500 D517 M518 N519 Q523 V524 T525 F586 I587 N589 R591L500-R521 HydrophobicContact CD2-CG 3.72Å; D517-R521 VanDerWaalsContact CG-NE 3.3Å; D517-R521 WeakPolarHBondContact O-CG 3.44Å; D517-R521 PolarHBondContact O-N 3.42Å; D517-R521 IonicContact OD1-CZ 3.27Å; D517-R521 IonicContact OD1-NE 2.86Å; D517-R521 PolarHBondContact OD1-NE 2.96Å; D517-R521 IonicContact OD1-NH2 3.25Å; D517-R521 PolarHBondContact OD1-NH2 2.91Å; D517-R521 IonicContact OD2-CZ 3.25Å; D517-R521 IonicContact OD2-NE 3.28Å; D517-R521 PolarHBondContact OD2-NE 3.08Å; D517-R521 IonicContact OD2-NH2 2.73Å; M518-R521 PolarHBondContact O-N 3.45Å; N519-R521 PolarHBondContact O-N 3.27Å; R521-Q523 PolarHBondContact O-N 3.42Å; R521-V524 WeakPolarHBondContact O-CG2 3.3Å; R521-V524 PolarHBondContact O-N 3.46Å; R521-T525 PolarHBondContact O-N 2.88Å; R521-T525 PolarHBondContact O-OG1 3.08Å; R521-F586 HydrophobicContact CB-CD1 4.46Å; R521-F586 HydrophobicContact CB-CE1 3.94Å; R521-F586 HydrophobicContact CG-CE1 4.09Å; R521-F586 HydrophobicContact CG-CZ 4.37Å; R521-F586 PolarHBondContact NH1-O 3.06Å; R521-I587 HydrophobicContact CB-CG1 4.33Å; R521-I587 HydrophobicContact CB-CG2 4.44Å; R521-I587 WeakPolarHBondContact CD-O 3.45Å; R521-N589 PolarHBondContact NH1-OD1 3.21Å; R521-R591 PolarHBondContact NH2-O 3.01Å
522N98.8Very high98.3Very high1 Ų118.6 Ų18.61%0.00511%0.108CC..Hα-helixtrans-62.5-44.9-176.7-175.1-73.7000110.5F77 M518 V524 T525 L526 W527 G528 I587F77-N522 HydrophobicContact CZ-CB 4.33Å; F77-N522 WeakPolarHBondContact CZ-OD1 3.49Å; M518-N522 WeakPolarHBondContact O-CB 3.37Å; M518-N522 PolarHBondContact O-N 3.45Å; M518-N522 HydrophobicContact SD-CB 4.33Å; N522-V524 VanDerWaalsContact C-N 3.3Å; N522-V524 PolarHBondContact O-N 3.37Å; N522-T525 CarbonylContact O-C 3.37Å; N522-T525 PolarHBondContact O-N 2.93Å; N522-T525 PolarHBondContact O-OG1 2.91Å; N522-L526 PolarHBondContact O-N 3.25Å; N522-W527 WeakPolarHBondContact O-CA 3.31Å; N522-W527 PolarHBondContact O-N 3.46Å; N522-W527 VanDerWaalsContact OD1-CA 3.32Å; N522-W527 WeakPolarHBondContact OD1-CA 3.32Å; N522-W527 PolarHBondContact OD1-N 3.35Å; N522-G528 PolarHBondContact ND2-O 3.08Å; N522-G528 PolarHBondContact OD1-N 3.4Å; N522-I587 HydrophobicContact CB-CD1 4.05Å; N522-I587 HydrophobicContact CB-CG2 4.4Å; N522-I587 WeakPolarHBondContact ND2-CD1 3.33Å
523Q98.8Very high98.2Very high1 Ų119 Ų191%0.00511%0.111CC..Hα-helixtrans-54-44.6-179.8-173.7-163.870.300112.4S18 Y19 A76 F77 N519 R521 T525 A537S18-Q523 PolarHBondContact O-NE2 2.61Å; Y19-Q523 HydrophobicContact CD1-CG 3.96Å; Y19-Q523 HydrophobicContact CE1-CG 3.91Å; A76-Q523 HydrophobicContact CB-CB 4.06Å; A76-Q523 HydrophobicContact CB-CG 4.35Å; A76-Q523 PolarHBondContact O-NE2 3.02Å; F77-Q523 HydrophobicContact CE1-CB 4.32Å; F77-Q523 HydrophobicContact CZ-CB 4.22Å; N519-Q523 WeakPolarHBondContact O-CB 3.12Å; N519-Q523 PolarHBondContact O-N 2.91Å; R521-Q523 PolarHBondContact O-N 3.42Å; Q523-T525 VanDerWaalsContact C-N 3.27Å; Q523-T525 PolarHBondContact O-N 3.27Å; Q523-A537 WeakPolarHBondContact O-CB 3.29Å
524V98.7Very high98.3Very high0 Ų019.7 Ų19.70%011%0.112CC..THydrogen-bonded Turntrans-85.34.4-177.2-56.20000113.8R521 N522 A537 K539 W541 L544R521-V524 WeakPolarHBondContact O-CG2 3.3Å; R521-V524 PolarHBondContact O-N 3.46Å; N522-V524 VanDerWaalsContact C-N 3.3Å; N522-V524 PolarHBondContact O-N 3.37Å; V524-A537 WeakPolarHBondContact CA-O 3.47Å; V524-K539 HydrophobicContact CB-CG 4.26Å; V524-K539 HydrophobicContact CG1-CG 4.06Å; V524-W541 HydrophobicContact CG1-CH2 4.42Å; V524-W541 HydrophobicContact CG1-CZ3 4.21Å; V524-L544 HydrophobicContact CG2-CD2 4.42Å
525T98.8Very high98.3Very high0 Ų014.2 Ų14.20%09%0.086CC..THydrogen-bonded Turntrans-134.4-96.4-17857.40000112.4R521 N522 Q523 W527 D535 L544 Y548 F586R521-T525 PolarHBondContact O-N 2.88Å; R521-T525 PolarHBondContact O-OG1 3.08Å; N522-T525 CarbonylContact O-C 3.37Å; N522-T525 PolarHBondContact O-N 2.93Å; N522-T525 PolarHBondContact O-OG1 2.91Å; Q523-T525 VanDerWaalsContact C-N 3.27Å; Q523-T525 PolarHBondContact O-N 3.27Å; T525-W527 VanDerWaalsContact C-N 3.33Å; T525-W527 PolarHBondContact O-N 3.15Å; T525-D535 PolarHBondContact O-N 3.02Å; T525-L544 HydrophobicContact CG2-CD1 4.02Å; T525-Y548 HydrophobicContact CG2-CD1 3.94Å; T525-Y548 HydrophobicContact CG2-CD2 3.74Å; T525-Y548 HydrophobicContact CG2-CE1 3.78Å; T525-Y548 HydrophobicContact CG2-CE2 3.55Å; T525-Y548 HydrophobicContact CG2-CG 3.92Å; T525-F586 HydrophobicContact CG2-CD1 3.81Å; T525-F586 HydrophobicContact CG2-CE1 3.67Å
526L98.7Very high98.3Very high2 Ų214.7 Ų14.71%0.019%0.086CC..THydrogen-bonded Turntrans-69.8-27.3-173.9-68-172.4000113.7N522 G528 G531 E532 L534 F580 E583 I587N522-L526 PolarHBondContact O-N 3.25Å; L526-G528 WeakPolarHBondContact CB-O 3.28Å; L526-G528 PolarHBondContact O-N 3.34Å; L526-G531 CarbonylContact O-C 3.54Å; L526-G531 VanDerWaalsContact O-CA 3.22Å; L526-G531 WeakPolarHBondContact O-CA 3.45Å; L526-E532 PolarHBondContact O-N 3.2Å; L526-L534 HydrophobicContact CD2-CD1 3.52Å; L526-F580 HydrophobicContact CD1-CE2 3.82Å; L526-F580 HydrophobicContact CD1-CZ 4.44Å; L526-F580 HydrophobicContact CD2-CD2 4.3Å; L526-F580 HydrophobicContact CD2-CE2 4.18Å; L526-E583 HydrophobicContact CD2-CB 3.72Å; L526-E583 HydrophobicContact CD2-CG 4.49Å; L526-E583 HydrophobicContact CG-CB 4.44Å; L526-I587 HydrophobicContact CB-CD1 3.98Å; L526-I587 HydrophobicContact CD1-CD1 3.4Å; L526-I587 HydrophobicContact CG-CD1 3.62Å
527W98.4Very high98.3Very high2 Ų214.6 Ų14.61%0.0089%0.086CC..SBendtrans63.3-14.9-177.3-153.496.8000115.4Y19 F77 W80 M86 W147 F150 N522 T525 I533Y19-W527 AromaticContact CE1-NE1 3.88Å; Y19-W527 AromaticContact CZ-NE1 3.8Å; Y19-W527 PolarHBondContact OH-NE1 3.5Å; F77-W527 WeakPolarHBondContact CE1-O 3.45Å; W80-W527 HydrophobicContact CB-CH2 4.39Å; W80-W527 AromaticContact CD2-CH2 3.58Å; W80-W527 HydrophobicContact CD2-CH2 3.58Å; W80-W527 AromaticContact CD2-CZ2 3.32Å; W80-W527 HydrophobicContact CD2-CZ2 3.32Å; W80-W527 AromaticContact CE2-CZ2 3.37Å; W80-W527 AromaticContact CE3-CH2 3.85Å; W80-W527 HydrophobicContact CE3-CH2 3.85Å; W80-W527 AromaticContact CE3-CZ2 3.52Å; W80-W527 HydrophobicContact CE3-CZ2 3.52Å; W80-W527 AromaticContact CG-CH2 3.75Å; W80-W527 HydrophobicContact CG-CH2 3.75Å; W80-W527 AromaticContact CG-CZ2 3.94Å; W80-W527 HydrophobicContact CG-CZ2 3.94Å; W80-W527 AromaticContact CH2-CZ2 3.92Å; W80-W527 HydrophobicContact CH2-CZ2 3.92Å; W80-W527 AromaticContact CZ2-CZ2 3.7Å; W80-W527 HydrophobicContact CZ2-CZ2 3.7Å; W80-W527 AromaticContact CZ3-CZ2 3.8Å; W80-W527 HydrophobicContact CZ3-CZ2 3.8Å; W80-W527 AromaticContact NE1-CZ2 3.79Å; M86-W527 HydrophobicContact SD-CH2 3.94Å; M86-W527 HydrophobicContact SD-CZ3 4.05Å; W147-W527 AromaticContact CH2-CH2 3.17Å; W147-W527 HydrophobicContact CH2-CH2 3.17Å; W147-W527 AromaticContact CH2-CZ2 3.86Å; W147-W527 HydrophobicContact CH2-CZ2 3.86Å; W147-W527 AromaticContact CH2-CZ3 3.71Å; W147-W527 HydrophobicContact CH2-CZ3 3.71Å; W147-W527 HydrophobicContact CZ2-CH2 4.47Å; W147-W527 AromaticContact CZ3-CH2 3.26Å; W147-W527 HydrophobicContact CZ3-CH2 3.26Å; W147-W527 HydrophobicContact CZ3-CZ2 4.35Å; W147-W527 AromaticContact CZ3-CZ3 3.4Å; W147-W527 HydrophobicContact CZ3-CZ3 3.4Å; F150-W527 HydrophobicContact CD2-CZ3 4.32Å; F150-W527 AromaticContact CE2-CE3 3.5Å; F150-W527 HydrophobicContact CE2-CE3 3.5Å; F150-W527 AromaticContact CE2-CZ3 3.26Å; F150-W527 HydrophobicContact CE2-CZ3 3.26Å; F150-W527 AromaticContact CZ-CE3 3.63Å; F150-W527 HydrophobicContact CZ-CE3 3.63Å; F150-W527 AromaticContact CZ-CZ3 3.55Å; F150-W527 HydrophobicContact CZ-CZ3 3.55Å; N522-W527 WeakPolarHBondContact O-CA 3.31Å; N522-W527 PolarHBondContact O-N 3.46Å; N522-W527 VanDerWaalsContact OD1-CA 3.32Å; N522-W527 WeakPolarHBondContact OD1-CA 3.32Å; N522-W527 PolarHBondContact OD1-N 3.35Å; T525-W527 VanDerWaalsContact C-N 3.33Å; T525-W527 PolarHBondContact O-N 3.15Å; W527-I533 HydrophobicContact CB-CB 3.95Å; W527-I533 WeakPolarHBondContact CB-O 3.41Å; W527-I533 HydrophobicContact CD2-CB 3.81Å; W527-I533 HydrophobicContact CD2-CD1 3.7Å; W527-I533 HydrophobicContact CD2-CG1 3.84Å; W527-I533 HydrophobicContact CE3-CB 3.88Å; W527-I533 HydrophobicContact CE3-CD1 3.28Å; W527-I533 HydrophobicContact CE3-CG1 3.39Å; W527-I533 HydrophobicContact CG-CB 3.9Å; W527-I533 HydrophobicContact CG-CG1 4.43Å; W527-I533 HydrophobicContact CH2-CD1 3.66Å; W527-I533 HydrophobicContact CZ2-CD1 3.89Å; W527-I533 HydrophobicContact CZ3-CD1 3.35Å; W527-I533 HydrophobicContact CZ3-CG1 3.93Å
528G97.9Very high98.3Very high0 Ų014 Ų140%08%0.082CC..SBendtrans-149.9-174.8172.300000111.4F89 N522 L526 S530 E532F89-G528 VanDerWaalsContact CZ-C 3.44Å; N522-G528 PolarHBondContact ND2-O 3.08Å; N522-G528 PolarHBondContact OD1-N 3.4Å; L526-G528 WeakPolarHBondContact CB-O 3.28Å; L526-G528 PolarHBondContact O-N 3.34Å; G528-S530 VanDerWaalsContact C-N 3.28Å; G528-S530 PolarHBondContact O-N 2.75Å; G528-E532 WeakPolarHBondContact CA-OE2 3.38Å
529P96.8Very high98.3Very high40 Ų4013 Ų1326%0.268%0.077SC..THydrogen-bonded Turntrans-65.8-26.8-177.124.5-31.2000114.2F89 F154 E532F89-P529 HydrophobicContact CD2-CB 4.45Å; F89-P529 HydrophobicContact CD2-CG 4.23Å; F89-P529 HydrophobicContact CE2-CB 3.89Å; F89-P529 VanDerWaalsContact CE2-CD 3.41Å; F89-P529 HydrophobicContact CE2-CG 4.06Å; F154-P529 HydrophobicContact CD2-CG 4.17Å; F154-P529 HydrophobicContact CE2-CG 3.78Å; F154-P529 HydrophobicContact CZ-CG 4.49Å; P529-E532 VanDerWaalsContact CD-CD 3.43Å; P529-E532 WeakPolarHBondContact CD-OE1 3.33Å; P529-E532 WeakPolarHBondContact CD-OE2 3.25Å; P529-E532 WeakPolarHBondContact CG-OE1 3.47Å
530S96.3Very high98.3Very high77 Ų7713 Ų1354%0.5388%0.077SC..THydrogen-bonded Turntrans-124.712.6-173.8-33.20000113.4G528 E532G528-S530 VanDerWaalsContact C-N 3.28Å; G528-S530 PolarHBondContact O-N 2.75Å; S530-E532 WeakPolarHBondContact CB-OE1 3.49Å; S530-E532 VanDerWaalsContact N-CD 3.33Å; S530-E532 PolarHBondContact N-OE1 2.73Å; S530-E532 VanDerWaalsContact N-OE1 3.12Å; S530-E532 PolarHBondContact N-OE2 2.94Å; S530-E532 PolarHBondContact OG-OE1 3.15Å
531G97.4Very high98.3Very high16 Ų1614.5 Ų14.517%0.1658%0.083CC..  trans85.733.6-175.700000113.5L526 I533 L534L526-G531 CarbonylContact O-C 3.54Å; L526-G531 VanDerWaalsContact O-CA 3.22Å; L526-G531 WeakPolarHBondContact O-CA 3.45Å; G531-I533 PolarHBondContact O-N 3.29Å; G531-L534 PolarHBondContact O-N 3Å
532E97.9Very high98.3Very high13 Ų1314.7 Ų14.76%0.0619%0.085CC..THydrogen-bonded Turntrans-59.1-30.8-172.4-74.272-171.800112.6H149 F150 L526 G528 P529 S530H149-E532 HydrophobicContact CB-CB 4.14Å; H149-E532 HydrophobicContact CB-CG 4.31Å; H149-E532 PolarHBondContact CD2-O 3.2Å; F150-E532 HydrophobicContact CD1-CG 4.1Å; F150-E532 HydrophobicContact CD2-CB 3.77Å; F150-E532 HydrophobicContact CD2-CG 4.02Å; F150-E532 HydrophobicContact CE1-CB 4.31Å; F150-E532 HydrophobicContact CE1-CG 4.13Å; F150-E532 HydrophobicContact CE2-CB 3.38Å; F150-E532 HydrophobicContact CE2-CG 3.97Å; F150-E532 HydrophobicContact CG-CB 4.33Å; F150-E532 HydrophobicContact CG-CG 4.07Å; F150-E532 HydrophobicContact CZ-CB 3.73Å; F150-E532 HydrophobicContact CZ-CG 4.07Å; L526-E532 PolarHBondContact O-N 3.2Å; G528-E532 WeakPolarHBondContact CA-OE2 3.38Å; P529-E532 VanDerWaalsContact CD-CD 3.43Å; P529-E532 WeakPolarHBondContact CD-OE1 3.33Å; P529-E532 WeakPolarHBondContact CD-OE2 3.25Å; P529-E532 WeakPolarHBondContact CG-OE1 3.47Å; S530-E532 WeakPolarHBondContact CB-OE1 3.49Å; S530-E532 VanDerWaalsContact N-CD 3.33Å; S530-E532 PolarHBondContact N-OE1 2.73Å; S530-E532 VanDerWaalsContact N-OE1 3.12Å; S530-E532 PolarHBondContact N-OE2 2.94Å; S530-E532 PolarHBondContact OG-OE1 3.15Å
533I97.6Very high98.3Very high33 Ų3314.9 Ų14.917%0.1699%0.087CC..THydrogen-bonded Turntrans-136.554.3171.2-35.8-175000109.8W147 A148 F150 W527 G531 D535 Y536W147-I533 HydrophobicContact CH2-CD1 3.26Å; W147-I533 HydrophobicContact CZ2-CD1 4.13Å; W147-I533 HydrophobicContact CZ3-CD1 3.59Å; A148-I533 HydrophobicContact CB-CD1 3.94Å; A148-I533 HydrophobicContact CB-CG1 4.25Å; F150-I533 HydrophobicContact CE2-CD1 4.43Å; F150-I533 HydrophobicContact CE2-CG1 4.23Å; W527-I533 HydrophobicContact CB-CB 3.95Å; W527-I533 WeakPolarHBondContact CB-O 3.41Å; W527-I533 HydrophobicContact CD2-CB 3.81Å; W527-I533 HydrophobicContact CD2-CD1 3.7Å; W527-I533 HydrophobicContact CD2-CG1 3.84Å; W527-I533 HydrophobicContact CE3-CB 3.88Å; W527-I533 HydrophobicContact CE3-CD1 3.28Å; W527-I533 HydrophobicContact CE3-CG1 3.39Å; W527-I533 HydrophobicContact CG-CB 3.9Å; W527-I533 HydrophobicContact CG-CG1 4.43Å; W527-I533 HydrophobicContact CH2-CD1 3.66Å; W527-I533 HydrophobicContact CZ2-CD1 3.89Å; W527-I533 HydrophobicContact CZ3-CD1 3.35Å; W527-I533 HydrophobicContact CZ3-CG1 3.93Å; G531-I533 PolarHBondContact O-N 3.29Å; I533-D535 PolarHBondContact O-N 2.92Å; I533-Y536 HydrophobicContact CG2-CD2 3.67Å; I533-Y536 HydrophobicContact CG2-CG 3.88Å; I533-Y536 VanDerWaalsContact O-CB 3.24Å; I533-Y536 WeakPolarHBondContact O-CB 3.37Å; I533-Y536 PolarHBondContact O-N 2.03Å; I533-Y536 VanDerWaalsContact O-N 3.08Å
534L98.5Very high98.3Very high35 Ų3514.8 Ų14.818%0.1839%0.087CC..THydrogen-bonded Turntrans-46.1126.6-175-17769.4000113.6R397 R398 L526 G531 Y536R397-L534 PolarHBondContact NH1-O 3.05Å; R397-L534 VanDerWaalsContact NH1-O 3.07Å; R398-L534 HydrophobicContact CB-CD2 3.99Å; R398-L534 VanDerWaalsContact NE-CD2 3.33Å; R398-L534 VanDerWaalsContact NH2-CD2 3.34Å; L526-L534 HydrophobicContact CD2-CD1 3.52Å; G531-L534 PolarHBondContact O-N 3Å; L534-Y536 PolarHBondContact O-N 3Å
535D98.5Very high98.3Very high1 Ų114.8 Ų14.81%0.0059%0.087CC..THydrogen-bonded Turntrans59.419.2177.4-52.1-43.1000114.2V396 R397 R398 T525 I533 A537 N538 Y548 R552V396-D535 WeakPolarHBondContact O-CB 3.4Å; V396-D535 VanDerWaalsContact O-CG 3.3Å; R397-D535 PolarHBondContact NH1-O 3.06Å; R397-D535 PolarHBondContact NH2-O 2.89Å; R398-D535 PolarHBondContact N-OD2 3.38Å; T525-D535 PolarHBondContact O-N 3.02Å; I533-D535 PolarHBondContact O-N 2.92Å; D535-A537 PolarHBondContact O-N 2.93Å; D535-N538 HydrophobicContact CB-CB 4.38Å; D535-N538 WeakPolarHBondContact O-CB 3.43Å; D535-N538 PolarHBondContact O-N 2.9Å; D535-N538 PolarHBondContact O-ND2 3.06Å; D535-Y548 VanDerWaalsContact OD1-CE1 3.27Å; D535-Y548 WeakPolarHBondContact OD1-CE1 3.21Å; D535-Y548 PolarHBondContact OD1-OH 2.89Å; D535-R552 VanDerWaalsContact CG-NH1 3.29Å; D535-R552 IonicContact OD1-CZ 2.72Å; D535-R552 IonicContact OD1-NH1 3.15Å; D535-R552 PolarHBondContact OD1-NH1 3.33Å; D535-R552 IonicContact OD1-NH2 2.86Å; D535-R552 IonicContact OD2-CZ 2.77Å; D535-R552 VanDerWaalsContact OD2-CZ 3.27Å; D535-R552 IonicContact OD2-NH1 3.54Å; D535-R552 PolarHBondContact OD2-NH1 2.8Å; D535-R552 IonicContact OD2-NH2 2.66Å; D535-R552 PolarHBondContact OD2-NH2 3.15Å
536Y98.6Very high98.3Very high42 Ų4218.3 Ų18.317%0.16510%0.103CC..THydrogen-bonded Turntrans-59.5-48.2179.3-177.2-85.8000112.4Y19 N292 E325 H390 I533 L534 N538Y19-Y536 HydrophobicContact CE2-CE1 4.09Å; Y19-Y536 AromaticContact CZ-CD1 3.92Å; Y19-Y536 AromaticContact CZ-CE1 3.89Å; Y19-Y536 WeakPolarHBondContact OH-CD1 3.34Å; Y19-Y536 WeakPolarHBondContact OH-CE1 3.48Å; N292-Y536 PolarHBondContact ND2-O 3.27Å; N292-Y536 PolarHBondContact OD1-O 3.22Å; E325-Y536 PolarHBondContact OE1-OH 2.67Å; E325-Y536 WeakPolarHBondContact OE2-CE1 3.27Å; E325-Y536 PolarHBondContact OE2-OH 3.33Å; E325-Y536 VanDerWaalsContact OE2-OH 3.08Å; H390-Y536 AromaticContact CE1-CE2 3.26Å; H390-Y536 WeakPolarHBondContact CE1-CE2 3.35Å; H390-Y536 AromaticContact CE1-CZ 3.44Å; H390-Y536 VanDerWaalsContact CE1-CZ 3.44Å; H390-Y536 PolarHBondContact CE1-OH 3.48Å; H390-Y536 AromaticContact ND1-CE2 3.92Å; I533-Y536 HydrophobicContact CG2-CD2 3.67Å; I533-Y536 HydrophobicContact CG2-CG 3.88Å; I533-Y536 VanDerWaalsContact O-CB 3.24Å; I533-Y536 WeakPolarHBondContact O-CB 3.37Å; I533-Y536 PolarHBondContact O-N 2.03Å; I533-Y536 VanDerWaalsContact O-N 3.08Å; L534-Y536 PolarHBondContact O-N 3Å; Y536-N538 VanDerWaalsContact C-N 3.32Å
537A98.6Very high98.2Very high0 Ų019.1 Ų19.10%011%0.107CC..THydrogen-bonded Turntrans-100.439179.200000111.9Y19 G290 N292 Q523 V524 D535 K539Y19-A537 HydrophobicContact CD1-CB 3.7Å; Y19-A537 HydrophobicContact CE1-CB 3.23Å; G290-A537 VanDerWaalsContact O-CA 3.27Å; G290-A537 WeakPolarHBondContact O-CA 3.5Å; G290-A537 VanDerWaalsContact O-CB 3.25Å; G290-A537 WeakPolarHBondContact O-CB 3.4Å; N292-A537 WeakPolarHBondContact OD1-CA 3.42Å; Q523-A537 WeakPolarHBondContact O-CB 3.29Å; V524-A537 WeakPolarHBondContact CA-O 3.47Å; D535-A537 PolarHBondContact O-N 2.93Å; A537-K539 PolarHBondContact O-NZ 3.42Å
538N98.8Very high98.3Very high0 Ų019 Ų190%011%0.107CC..  trans-53.8152.7177.363.783.9000111.9N292 N391 V396 D535 Y536 Y549N292-N538 PolarHBondContact ND2-ND2 3.12Å; N292-N538 PolarHBondContact OD1-N 2.99Å; N292-N538 VanDerWaalsContact OD1-N 3.1Å; N292-N538 PolarHBondContact OD1-ND2 2.92Å; N292-N538 PolarHBondContact OD1-O 3.48Å; N391-N538 PolarHBondContact O-ND2 2.55Å; V396-N538 HydrophobicContact CB-CB 3.9Å; V396-N538 HydrophobicContact CG1-CB 4.42Å; V396-N538 HydrophobicContact CG2-CB 4.33Å; D535-N538 HydrophobicContact CB-CB 4.38Å; D535-N538 WeakPolarHBondContact O-CB 3.43Å; D535-N538 PolarHBondContact O-N 2.9Å; D535-N538 PolarHBondContact O-ND2 3.06Å; Y536-N538 VanDerWaalsContact C-N 3.32Å; N538-Y549 VanDerWaalsContact CB-OH 3.29Å; N538-Y549 WeakPolarHBondContact CB-OH 3.21Å
539K98.8Very high98.3Very high10 Ų1019.1 Ų19.14%0.04311%0.107CC..  trans-136.7152.8178.3-60.4-70.4173.9-70.20109.3G290 G291 V524 A537 W541 L544 Y549G290-K539 PolarHBondContact O-NZ 3.35Å; G291-K539 VanDerWaalsContact O-CD 3.23Å; G291-K539 WeakPolarHBondContact O-CD 3.37Å; G291-K539 WeakPolarHBondContact O-CE 3.47Å; G291-K539 PolarHBondContact O-NZ 3.13Å; G291-K539 VanDerWaalsContact O-NZ 3.07Å; V524-K539 HydrophobicContact CB-CG 4.26Å; V524-K539 HydrophobicContact CG1-CG 4.06Å; A537-K539 PolarHBondContact O-NZ 3.42Å; K539-W541 HydrophobicContact CB-CD2 3.51Å; K539-W541 HydrophobicContact CB-CE3 3.77Å; K539-W541 HydrophobicContact CB-CG 3.94Å; K539-W541 HydrophobicContact CB-CH2 4.29Å; K539-W541 HydrophobicContact CB-CZ2 4.05Å; K539-W541 HydrophobicContact CB-CZ3 4.15Å; K539-W541 HydrophobicContact CD-CH2 3.93Å; K539-W541 HydrophobicContact CD-CZ2 3.5Å; K539-W541 VanDerWaalsContact CD-CZ2 3.5Å; K539-W541 HydrophobicContact CG-CD2 3.96Å; K539-W541 HydrophobicContact CG-CE3 3.96Å; K539-W541 HydrophobicContact CG-CH2 3.61Å; K539-W541 HydrophobicContact CG-CZ2 3.57Å; K539-W541 HydrophobicContact CG-CZ3 3.8Å; K539-L544 HydrophobicContact CB-CD2 3.9Å; K539-L544 WeakPolarHBondContact O-CD2 3.2Å; K539-Y549 PolarHBondContact N-OH 3.1Å; K539-Y549 WeakPolarHBondContact O-CE2 3.41Å; K539-Y549 PolarHBondContact O-OH 3.2Å
540Q98.8Very high98.4Very high0 Ų017.7 Ų17.70%010%0.099CC..  trans-109.282.6171.4-70.7174.149.500108N293 N391 L395 V396 R443 L488 I545N293-Q540 HydrophobicContact CB-CB 4.04Å; N293-Q540 HydrophobicContact CB-CG 4.33Å; N293-Q540 PolarHBondContact OD1-N 3.4Å; N391-Q540 PolarHBondContact ND2-NE2 3.11Å; L395-Q540 HydrophobicContact CD2-CG 4.05Å; V396-Q540 HydrophobicContact CG1-CG 3.89Å; R443-Q540 HydrophobicContact CG-CB 4.35Å; L488-Q540 HydrophobicContact CD1-CB 4.26Å; L488-Q540 WeakPolarHBondContact CD1-O 3.15Å; L488-Q540 WeakPolarHBondContact CD2-O 3Å; Q540-I545 HydrophobicContact CB-CD1 4.43Å; Q540-I545 HydrophobicContact CG-CD1 4.38Å
541W98.9Very high98.5Very high31 Ų3118.6 Ų18.612%0.1179%0.094CC..  trans-119.4144.3-178.6-64.3-24.7000111.7F494 L496 W499 V524 K539 L544 I545F494-W541 CarbonylContact O-C 3.59Å; F494-W541 WeakPolarHBondContact O-CA 3.31Å; F494-W541 WeakPolarHBondContact O-CB 3.47Å; L496-W541 HydrophobicContact CB-CB 4.21Å; L496-W541 HydrophobicContact CB-CE3 4.34Å; L496-W541 HydrophobicContact CD1-CE3 3.87Å; L496-W541 HydrophobicContact CD1-CZ3 4.19Å; W499-W541 HydrophobicContact CB-CE3 4.48Å; W499-W541 HydrophobicContact CB-CH2 3.97Å; W499-W541 HydrophobicContact CB-CZ3 3.74Å; W499-W541 AromaticContact CD1-CZ3 3.76Å; W499-W541 HydrophobicContact CD2-CH2 4Å; W499-W541 HydrophobicContact CD2-CZ3 4.32Å; W499-W541 HydrophobicContact CE3-CH2 4.39Å; W499-W541 AromaticContact CG-CH2 3.8Å; W499-W541 HydrophobicContact CG-CH2 3.8Å; W499-W541 AromaticContact CG-CZ3 3.67Å; W499-W541 HydrophobicContact CG-CZ3 3.67Å; V524-W541 HydrophobicContact CG1-CH2 4.42Å; V524-W541 HydrophobicContact CG1-CZ3 4.21Å; K539-W541 HydrophobicContact CB-CD2 3.51Å; K539-W541 HydrophobicContact CB-CE3 3.77Å; K539-W541 HydrophobicContact CB-CG 3.94Å; K539-W541 HydrophobicContact CB-CH2 4.29Å; K539-W541 HydrophobicContact CB-CZ2 4.05Å; K539-W541 HydrophobicContact CB-CZ3 4.15Å; K539-W541 HydrophobicContact CD-CH2 3.93Å; K539-W541 HydrophobicContact CD-CZ2 3.5Å; K539-W541 VanDerWaalsContact CD-CZ2 3.5Å; K539-W541 HydrophobicContact CG-CD2 3.96Å; K539-W541 HydrophobicContact CG-CE3 3.96Å; K539-W541 HydrophobicContact CG-CH2 3.61Å; K539-W541 HydrophobicContact CG-CZ2 3.57Å; K539-W541 HydrophobicContact CG-CZ3 3.8Å; W541-L544 HydrophobicContact CB-CB 4.26Å; W541-L544 WeakPolarHBondContact O-CB 3.07Å; W541-L544 PolarHBondContact O-N 3.21Å; W541-L544 VanDerWaalsContact O-N 3.07Å; W541-I545 WeakPolarHBondContact O-CG1 3.22Å; W541-I545 PolarHBondContact O-N 2.94Å
542G98.8Very high98.6Very high5 Ų517.9 Ų17.95%0.0529%0.087CC..BIsolated β-bridgetrans-56.2136.8166.500000110.3N485 S489 F494 L496 L544N485-G542 WeakPolarHBondContact OD1-CA 3.35Å; S489-G542 WeakPolarHBondContact OG-CA 3.34Å; F494-G542 PolarHBondContact O-N 2.78Å; L496-G542 WeakPolarHBondContact CB-O 3.07Å; L496-G542 PolarHBondContact N-O 2.93Å; L496-G542 VanDerWaalsContact N-O 3.11Å; G542-L544 VanDerWaalsContact C-N 3.3Å; G542-L544 PolarHBondContact O-N 3.35Å
543G98.4Very high98.6Very high4 Ų417.3 Ų17.34%0.0418%0.084CC..THydrogen-bonded Turntrans88.9-49.8-167.300000112.9N485 E546 D547N485-G543 PolarHBondContact OD1-N 3.38Å; G543-E546 PolarHBondContact O-N 3.19Å; G543-D547 WeakPolarHBondContact O-CB 3.5Å; G543-D547 PolarHBondContact O-N 2.91Å
544L98.8Very high98.7Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-70.8-38.6179-17165.3000111.9L496 V524 T525 K539 W541 G542 E546 Y548 Y549 F586L496-L544 HydrophobicContact CB-CB 4.47Å; L496-L544 HydrophobicContact CD2-CB 4.11Å; V524-L544 HydrophobicContact CG2-CD2 4.42Å; T525-L544 HydrophobicContact CG2-CD1 4.02Å; K539-L544 HydrophobicContact CB-CD2 3.9Å; K539-L544 WeakPolarHBondContact O-CD2 3.2Å; W541-L544 HydrophobicContact CB-CB 4.26Å; W541-L544 WeakPolarHBondContact O-CB 3.07Å; W541-L544 PolarHBondContact O-N 3.21Å; W541-L544 VanDerWaalsContact O-N 3.07Å; G542-L544 VanDerWaalsContact C-N 3.3Å; G542-L544 PolarHBondContact O-N 3.35Å; L544-E546 VanDerWaalsContact C-N 3.33Å; L544-E546 PolarHBondContact O-N 3.24Å; L544-Y548 HydrophobicContact CD1-CD1 4.32Å; L544-Y548 HydrophobicContact CD1-CG 4.15Å; L544-Y548 WeakPolarHBondContact O-CB 3.21Å; L544-Y548 PolarHBondContact O-N 2.95Å; L544-Y548 VanDerWaalsContact O-N 3.11Å; L544-Y549 HydrophobicContact CD2-CE2 3.68Å; L544-Y549 HydrophobicContact CG-CD2 4.14Å; L544-Y549 HydrophobicContact CG-CE2 3.57Å; L544-Y549 WeakPolarHBondContact O-CD2 3.4Å; L544-Y549 PolarHBondContact O-N 2.69Å; L544-F586 HydrophobicContact CD1-CE1 3.7Å; L544-F586 HydrophobicContact CD1-CE2 3.92Å; L544-F586 HydrophobicContact CD1-CZ 3.33Å
545I98.8Very high98.7Very high0 Ų016.7 Ų16.70%09%0.085CC..Iπ-helixtrans-57.5-46.7171.5-62.5-50.9000111.1L395 L481 L484 N485 L488 Q540 W541 Y549 A550L395-I545 HydrophobicContact CD1-CD1 4.47Å; L481-I545 HydrophobicContact CB-CG2 4.35Å; L481-I545 HydrophobicContact CD2-CG2 4.46Å; L481-I545 WeakPolarHBondContact O-CG2 3.35Å; L484-I545 HydrophobicContact CB-CG2 4.45Å; L484-I545 HydrophobicContact CD2-CD1 4.06Å; L484-I545 HydrophobicContact CD2-CG1 4.16Å; L484-I545 HydrophobicContact CD2-CG2 4.17Å; L484-I545 HydrophobicContact CG-CG1 4.23Å; L484-I545 HydrophobicContact CG-CG2 4.3Å; N485-I545 HydrophobicContact CB-CB 4.1Å; N485-I545 HydrophobicContact CB-CG2 4.02Å; L488-I545 HydrophobicContact CD1-CD1 4.28Å; L488-I545 HydrophobicContact CD1-CG1 3.52Å; Q540-I545 HydrophobicContact CB-CD1 4.43Å; Q540-I545 HydrophobicContact CG-CD1 4.38Å; W541-I545 WeakPolarHBondContact O-CG1 3.22Å; W541-I545 PolarHBondContact O-N 2.94Å; I545-Y549 HydrophobicContact CD1-CD2 3.67Å; I545-Y549 HydrophobicContact CD1-CE2 4.21Å; I545-A550 WeakPolarHBondContact O-CB 3.41Å; I545-A550 PolarHBondContact O-N 3.09Å
546E98.2Very high98.7Very high74 Ų7416.7 Ų16.735%0.3469%0.085SC..Iπ-helixtrans-70-48.4-175.7-173.6-177.2157.400113.3N485 G543 L544 Q551 R591N485-E546 HydrophobicContact CB-CB 4.44Å; N485-E546 PolarHBondContact ND2-OE2 2.95Å; G543-E546 PolarHBondContact O-N 3.19Å; L544-E546 VanDerWaalsContact C-N 3.33Å; L544-E546 PolarHBondContact O-N 3.24Å; E546-Q551 PolarHBondContact O-NE2 3Å; E546-R591 IonicContact OE1-NH2 3.27Å; E546-R591 PolarHBondContact OE1-NH2 2.83Å
547D98.4Very high98.7Very high18 Ų1815.3 Ų15.310%0.0968%0.08CC..Iπ-helixtrans-99.6-10.4-166-75.1-10.5000114.6G543 Q551 F586 R591 Y593G543-D547 WeakPolarHBondContact O-CB 3.5Å; G543-D547 PolarHBondContact O-N 2.91Å; D547-Q551 WeakPolarHBondContact O-CG 3.34Å; D547-F586 HydrophobicContact CB-CD2 4.08Å; D547-F586 HydrophobicContact CB-CE2 4.32Å; D547-R591 IonicContact OD1-CZ 2.77Å; D547-R591 IonicContact OD1-NH1 3.1Å; D547-R591 PolarHBondContact OD1-NH1 3.05Å; D547-R591 WeakPolarHBondContact OD2-CD 3.31Å; D547-R591 IonicContact OD2-CZ 3.3Å; D547-R591 IonicContact OD2-NE 3.36Å; D547-R591 PolarHBondContact OD2-NE 2.89Å; D547-R591 IonicContact OD2-NH1 3.59Å; D547-R591 PolarHBondContact OD2-NH1 2.78Å; D547-R591 IonicContact OD2-NH2 3.04Å; D547-Y593 HydrophobicContact CB-CE1 4.41Å; D547-Y593 WeakPolarHBondContact CB-OH 3.31Å; D547-Y593 WeakPolarHBondContact OD2-CE1 3.32Å; D547-Y593 VanDerWaalsContact OD2-CZ 3.22Å; D547-Y593 PolarHBondContact OD2-OH 2.99Å
548Y98.9Very high98.7Very high0 Ų020.4 Ų20.40%010%0.104CC..Iπ-helixtrans-118.7-64.9176.2-175.5-101.8000110.9T525 D535 L544 R552 E583 F586T525-Y548 HydrophobicContact CG2-CD1 3.94Å; T525-Y548 HydrophobicContact CG2-CD2 3.74Å; T525-Y548 HydrophobicContact CG2-CE1 3.78Å; T525-Y548 HydrophobicContact CG2-CE2 3.55Å; T525-Y548 HydrophobicContact CG2-CG 3.92Å; D535-Y548 VanDerWaalsContact OD1-CE1 3.27Å; D535-Y548 WeakPolarHBondContact OD1-CE1 3.21Å; D535-Y548 PolarHBondContact OD1-OH 2.89Å; L544-Y548 HydrophobicContact CD1-CD1 4.32Å; L544-Y548 HydrophobicContact CD1-CG 4.15Å; L544-Y548 WeakPolarHBondContact O-CB 3.21Å; L544-Y548 PolarHBondContact O-N 2.95Å; L544-Y548 VanDerWaalsContact O-N 3.11Å; Y548-R552 VanDerWaalsContact CE1-NH1 3.27Å; Y548-R552 WeakPolarHBondContact O-CD 3.2Å; Y548-R552 WeakPolarHBondContact O-CG 3.13Å; Y548-R552 PolarHBondContact O-N 3.46Å; Y548-E583 HydrophobicContact CE2-CB 3.7Å; Y548-E583 HydrophobicContact CE2-CG 3.63Å; Y548-F586 HydrophobicContact CD2-CB 3.89Å; Y548-F586 AromaticContact CD2-CD1 3.89Å; Y548-F586 HydrophobicContact CD2-CD1 3.89Å; Y548-F586 AromaticContact CD2-CG 3.88Å; Y548-F586 HydrophobicContact CD2-CG 3.88Å; Y548-F586 HydrophobicContact CG-CD1 4.45Å; Y548-F586 HydrophobicContact CG-CG 4.42Å
549Y98.9Very high98.7Very high2 Ų221.8 Ų21.81%0.00811%0.113CC..Iπ-helixtrans-69.9-46.5-173-59.2-66.3000113.2V396 N538 K539 L544 I545 Q551 R552 W553V396-Y549 HydrophobicContact CB-CE1 4.08Å; V396-Y549 VanDerWaalsContact O-CE1 3.3Å; V396-Y549 WeakPolarHBondContact O-CE1 3.47Å; N538-Y549 VanDerWaalsContact CB-OH 3.29Å; N538-Y549 WeakPolarHBondContact CB-OH 3.21Å; K539-Y549 PolarHBondContact N-OH 3.1Å; K539-Y549 WeakPolarHBondContact O-CE2 3.41Å; K539-Y549 PolarHBondContact O-OH 3.2Å; L544-Y549 HydrophobicContact CD2-CE2 3.68Å; L544-Y549 HydrophobicContact CG-CD2 4.14Å; L544-Y549 HydrophobicContact CG-CE2 3.57Å; L544-Y549 WeakPolarHBondContact O-CD2 3.4Å; L544-Y549 PolarHBondContact O-N 2.69Å; I545-Y549 HydrophobicContact CD1-CD2 3.67Å; I545-Y549 HydrophobicContact CD1-CE2 4.21Å; Y549-Q551 VanDerWaalsContact C-N 3.31Å; Y549-Q551 PolarHBondContact O-N 2.74Å; Y549-R552 PolarHBondContact O-N 2.96Å; Y549-W553 PolarHBondContact O-N 3.06Å
550A98.8Very high98.7Very high10 Ų1021.3 Ų21.38%0.08311%0.111CC..Hα-helixtrans-65.7-33.8179.400000112.4L481 I545 W553 G554L481-A550 HydrophobicContact CB-CB 4.08Å; L481-A550 HydrophobicContact CD1-CB 3.97Å; I545-A550 WeakPolarHBondContact O-CB 3.41Å; I545-A550 PolarHBondContact O-N 3.09Å; A550-W553 PolarHBondContact O-N 3.21Å; A550-G554 PolarHBondContact O-N 2.8Å
551Q98.8Very high98.7Very high96 Ų9623 Ų2345%0.44912%0.121SC..Hα-helixtrans-64.6-40.7174.8-57.3-53.9-48.700111.7E546 D547 Y549 G554 L555 V582E546-Q551 PolarHBondContact O-NE2 3Å; D547-Q551 WeakPolarHBondContact O-CG 3.34Å; Y549-Q551 VanDerWaalsContact C-N 3.31Å; Y549-Q551 PolarHBondContact O-N 2.74Å; Q551-G554 PolarHBondContact O-N 2.76Å; Q551-L555 WeakPolarHBondContact O-CB 3.46Å; Q551-L555 PolarHBondContact O-N 2.89Å; Q551-V582 HydrophobicContact CB-CG1 3.48Å; Q551-V582 VanDerWaalsContact CB-CG1 3.48Å; Q551-V582 HydrophobicContact CG-CG1 4.48Å
552R98.9Very high98.7Very high1 Ų125.1 Ų25.10%0.00413%0.132CC..Hα-helixtrans-64.9-44.7176.3-63.2163.482.9-166.514.4111.4P399 D535 Y548 Y549 L555 F556 V579 E583P399-R552 HydrophobicContact CG-CB 4.3Å; D535-R552 VanDerWaalsContact CG-NH1 3.29Å; D535-R552 IonicContact OD1-CZ 2.72Å; D535-R552 IonicContact OD1-NH1 3.15Å; D535-R552 PolarHBondContact OD1-NH1 3.33Å; D535-R552 IonicContact OD1-NH2 2.86Å; D535-R552 IonicContact OD2-CZ 2.77Å; D535-R552 VanDerWaalsContact OD2-CZ 3.27Å; D535-R552 IonicContact OD2-NH1 3.54Å; D535-R552 PolarHBondContact OD2-NH1 2.8Å; D535-R552 IonicContact OD2-NH2 2.66Å; D535-R552 PolarHBondContact OD2-NH2 3.15Å; Y548-R552 VanDerWaalsContact CE1-NH1 3.27Å; Y548-R552 WeakPolarHBondContact O-CD 3.2Å; Y548-R552 WeakPolarHBondContact O-CG 3.13Å; Y548-R552 PolarHBondContact O-N 3.46Å; Y549-R552 PolarHBondContact O-N 2.96Å; R552-L555 PolarHBondContact O-N 3.05Å; R552-F556 WeakPolarHBondContact O-CB 3.45Å; R552-F556 PolarHBondContact O-N 2.9Å; R552-V579 HydrophobicContact CB-CG2 3.86Å; R552-V579 HydrophobicContact CG-CG2 3.61Å; R552-E583 HydrophobicContact CG-CG 4.22Å; R552-E583 IonicContact CZ-OE1 3.28Å; R552-E583 IonicContact NE-OE1 2.98Å; R552-E583 PolarHBondContact NE-OE1 3.35Å; R552-E583 IonicContact NH2-OE1 2.77Å; R552-E583 PolarHBondContact NH2-OE1 2.99Å
553W98.9Very high98.7Very high1 Ų125.6 Ų25.60%0.00414%0.135CC..Hα-helixtrans-66.2-40.8176.7-83.5108.7000112.8P394 P399 M403 Y454 L476 V477 L481 Y549 A550 F556 V557P394-W553 HydrophobicContact CB-CH2 4.21Å; P394-W553 HydrophobicContact CB-CZ2 3.74Å; P394-W553 WeakPolarHBondContact O-CZ2 3.31Å; P394-W553 PolarHBondContact O-NE1 3.32Å; P399-W553 HydrophobicContact CB-CD2 4.45Å; P399-W553 HydrophobicContact CB-CE3 4.2Å; P399-W553 HydrophobicContact CB-CH2 4.32Å; P399-W553 HydrophobicContact CB-CZ3 4.14Å; P399-W553 HydrophobicContact CG-CD2 3.78Å; P399-W553 HydrophobicContact CG-CE3 4.01Å; P399-W553 HydrophobicContact CG-CG 4.16Å; P399-W553 HydrophobicContact CG-CH2 4.49Å; P399-W553 HydrophobicContact CG-CZ2 4.29Å; P399-W553 HydrophobicContact CG-CZ3 4.36Å; M403-W553 HydrophobicContact CE-CH2 4.22Å; M403-W553 HydrophobicContact CE-CZ2 3.86Å; M403-W553 HydrophobicContact SD-CH2 3.65Å; M403-W553 HydrophobicContact SD-CZ2 3.93Å; Y454-W553 AromaticContact CD2-CH2 3.68Å; Y454-W553 HydrophobicContact CD2-CH2 3.68Å; Y454-W553 HydrophobicContact CD2-CZ3 4.19Å; Y454-W553 HydrophobicContact CG-CH2 4.06Å; L476-W553 HydrophobicContact CD2-CD2 3.8Å; L476-W553 HydrophobicContact CD2-CE3 3.55Å; L476-W553 HydrophobicContact CD2-CG 4.31Å; L476-W553 HydrophobicContact CD2-CZ3 3.96Å; V477-W553 HydrophobicContact CG2-CB 4.23Å; L481-W553 HydrophobicContact CD1-CB 3.92Å; L481-W553 HydrophobicContact CD1-CG 4.07Å; Y549-W553 PolarHBondContact O-N 3.06Å; A550-W553 PolarHBondContact O-N 3.21Å; W553-F556 AromaticContact CE3-CD1 4Å; W553-F556 HydrophobicContact CE3-CD1 4Å; W553-F556 AromaticContact CZ3-CD1 3.78Å; W553-F556 HydrophobicContact CZ3-CD1 3.78Å; W553-F556 HydrophobicContact CZ3-CE1 4.1Å; W553-F556 PolarHBondContact O-N 3.29Å; W553-V557 WeakPolarHBondContact O-CG2 3.44Å; W553-V557 PolarHBondContact O-N 2.92Å
554G98.8Very high98.7Very high15 Ų1527.1 Ų27.116%0.15514%0.142CC..Hα-helixtrans-58.6-49174.200000111.9A550 Q551 F556 V557 Q558A550-G554 PolarHBondContact O-N 2.8Å; Q551-G554 PolarHBondContact O-N 2.76Å; G554-F556 VanDerWaalsContact C-N 3.32Å; G554-F556 PolarHBondContact O-N 3.25Å; G554-V557 PolarHBondContact O-N 3.26Å; G554-Q558 VanDerWaalsContact O-CB 3.32Å; G554-Q558 WeakPolarHBondContact O-CB 3.45Å; G554-Q558 PolarHBondContact O-N 3.48Å
555L98.9Very high98.6Very high40 Ų4033 Ų3321%0.20917%0.173CC..Hα-helixtrans-61.2-40.6176-179.563.3000111.9Q551 R552 T559 F575 A578 V579 V582Q551-L555 WeakPolarHBondContact O-CB 3.46Å; Q551-L555 PolarHBondContact O-N 2.89Å; R552-L555 PolarHBondContact O-N 3.05Å; L555-T559 WeakPolarHBondContact O-CB 3.41Å; L555-T559 PolarHBondContact O-N 3.44Å; L555-T559 PolarHBondContact O-OG1 3.31Å; L555-F575 HydrophobicContact CB-CE2 4.34Å; L555-F575 HydrophobicContact CD2-CE2 4.13Å; L555-F575 HydrophobicContact CG-CD2 4.4Å; L555-F575 HydrophobicContact CG-CE2 3.92Å; L555-A578 HydrophobicContact CD2-CB 4.05Å; L555-V579 HydrophobicContact CD2-CB 3.93Å; L555-V579 HydrophobicContact CD2-CG2 4.33Å; L555-V582 HydrophobicContact CD2-CG2 4.02Å
556F98.9Very high98.5Very high1 Ų141 Ų410%0.00420%0.203CC..Hα-helixtrans-63-53.8178.9-177.4-113.2000111.3P399 F401 I457 R552 W553 G554 Q558 T559 L560 Y570 F575P399-F556 HydrophobicContact CB-CB 3.58Å; P399-F556 HydrophobicContact CB-CD1 3.71Å; P399-F556 HydrophobicContact CB-CD2 3.69Å; P399-F556 HydrophobicContact CB-CE1 4.27Å; P399-F556 HydrophobicContact CB-CE2 4.26Å; P399-F556 HydrophobicContact CB-CG 3.37Å; P399-F556 HydrophobicContact CG-CB 4Å; P399-F556 HydrophobicContact CG-CG 4.31Å; F401-F556 HydrophobicContact CE1-CZ 4.33Å; F401-F556 HydrophobicContact CE2-CZ 4.3Å; F401-F556 HydrophobicContact CZ-CZ 4.14Å; I457-F556 HydrophobicContact CG2-CE1 4.28Å; R552-F556 WeakPolarHBondContact O-CB 3.45Å; R552-F556 PolarHBondContact O-N 2.9Å; W553-F556 AromaticContact CE3-CD1 4Å; W553-F556 HydrophobicContact CE3-CD1 4Å; W553-F556 AromaticContact CZ3-CD1 3.78Å; W553-F556 HydrophobicContact CZ3-CD1 3.78Å; W553-F556 HydrophobicContact CZ3-CE1 4.1Å; W553-F556 PolarHBondContact O-N 3.29Å; G554-F556 VanDerWaalsContact C-N 3.32Å; G554-F556 PolarHBondContact O-N 3.25Å; F556-Q558 VanDerWaalsContact C-N 3.32Å; F556-Q558 PolarHBondContact O-N 3.11Å; F556-T559 WeakPolarHBondContact O-CB 3.31Å; F556-T559 PolarHBondContact O-N 3.34Å; F556-T559 VanDerWaalsContact O-N 3.12Å; F556-L560 HydrophobicContact CD1-CD1 4.15Å; F556-L560 HydrophobicContact CE1-CD1 3.62Å; F556-L560 HydrophobicContact CE1-CG 4.31Å; F556-L560 HydrophobicContact CE2-CD1 4.42Å; F556-L560 HydrophobicContact CE2-CD2 4.21Å; F556-L560 HydrophobicContact CE2-CG 4.39Å; F556-L560 HydrophobicContact CZ-CD1 3.77Å; F556-L560 HydrophobicContact CZ-CD2 4.26Å; F556-L560 HydrophobicContact CZ-CG 4.23Å; F556-L560 WeakPolarHBondContact O-CG 3.49Å; F556-L560 PolarHBondContact O-N 2.73Å; F556-Y570 HydrophobicContact CD2-CE2 4.23Å; F556-Y570 HydrophobicContact CE2-CE1 4.49Å; F556-Y570 AromaticContact CE2-CE2 3.95Å; F556-Y570 HydrophobicContact CE2-CE2 3.95Å; F556-Y570 AromaticContact CE2-CZ 3.73Å; F556-Y570 WeakPolarHBondContact CE2-OH 3.32Å; F556-F575 VanDerWaalsContact CA-CE2 3.46Å; F556-F575 HydrophobicContact CB-CE2 3.72Å; F556-F575 HydrophobicContact CB-CZ 3.73Å; F556-F575 HydrophobicContact CD2-CD1 4.46Å; F556-F575 HydrophobicContact CD2-CD2 4.29Å; F556-F575 HydrophobicContact CD2-CE1 4.14Å; F556-F575 AromaticContact CD2-CE2 3.98Å; F556-F575 HydrophobicContact CD2-CE2 3.98Å; F556-F575 AromaticContact CD2-CZ 3.89Å; F556-F575 HydrophobicContact CD2-CZ 3.89Å; F556-F575 HydrophobicContact CG-CE2 4.36Å; F556-F575 HydrophobicContact CG-CZ 4.25Å
557V98.8Very high98.4Very high13 Ų1340.7 Ų40.78%0.07922%0.22CC..Hα-helixtrans-58.8-44.5179171.40000111I457 V477 W553 G554 T559 L560 V561I457-V557 HydrophobicContact CD1-CG2 4.08Å; V477-V557 HydrophobicContact CG2-CB 4.38Å; V477-V557 HydrophobicContact CG2-CG2 3.99Å; W553-V557 WeakPolarHBondContact O-CG2 3.44Å; W553-V557 PolarHBondContact O-N 2.92Å; G554-V557 PolarHBondContact O-N 3.26Å; V557-T559 VanDerWaalsContact C-N 3.35Å; V557-T559 PolarHBondContact O-N 3.26Å; V557-L560 PolarHBondContact O-N 3.31Å; V557-V561 WeakPolarHBondContact O-CG2 3.37Å; V557-V561 PolarHBondContact O-N 2.68Å
558Q98.7Very high98.3Very high107 Ų10744.6 Ų44.650%0.524%0.24SC..Hα-helixtrans-59-46.4175.9-179.1-178.8-10.200111.5G554 F556 L560 V561 E562G554-Q558 VanDerWaalsContact O-CB 3.32Å; G554-Q558 WeakPolarHBondContact O-CB 3.45Å; G554-Q558 PolarHBondContact O-N 3.48Å; F556-Q558 VanDerWaalsContact C-N 3.32Å; F556-Q558 PolarHBondContact O-N 3.11Å; Q558-L560 VanDerWaalsContact C-N 3.28Å; Q558-L560 PolarHBondContact O-N 2.9Å; Q558-V561 PolarHBondContact O-N 2.77Å; Q558-E562 HydrophobicContact CG-CG 4.47Å; Q558-E562 WeakPolarHBondContact CG-OE1 3.49Å; Q558-E562 PolarHBondContact NE2-OE1 3.39Å; Q558-E562 WeakPolarHBondContact O-CG 3.44Å; Q558-E562 PolarHBondContact O-N 3.14Å
559T98.8Very high98.1Very high30 Ų3049.1 Ų49.118%0.18427%0.27CS..Hα-helixtrans-59.3-41.2178.4-57.10000111.2L555 F556 V557 E562 C563 Y570L555-T559 WeakPolarHBondContact O-CB 3.41Å; L555-T559 PolarHBondContact O-N 3.44Å; L555-T559 PolarHBondContact O-OG1 3.31Å; F556-T559 WeakPolarHBondContact O-CB 3.31Å; F556-T559 PolarHBondContact O-N 3.34Å; F556-T559 VanDerWaalsContact O-N 3.12Å; V557-T559 VanDerWaalsContact C-N 3.35Å; V557-T559 PolarHBondContact O-N 3.26Å; T559-E562 PolarHBondContact O-N 3.35Å; T559-C563 WeakPolarHBondContact O-CB 3.36Å; T559-C563 PolarHBondContact O-N 3.05Å; T559-C563 PolarHBondContact O-SG 2.79Å; T559-Y570 HydrophobicContact CG2-CD2 3.95Å; T559-Y570 HydrophobicContact CG2-CE2 4.01Å
560L98.8Very high98.1Very high0 Ų050.6 Ų50.60%028%0.276CS..Hα-helixtrans-65.7-43.5177.5-64.2-168.5000112.2F401 I457 F461 L469 F556 V557 Q558 C563 L564 Y570F401-L560 HydrophobicContact CE1-CD1 4.28Å; F401-L560 HydrophobicContact CE2-CD2 3.81Å; F401-L560 HydrophobicContact CZ-CD1 3.83Å; F401-L560 HydrophobicContact CZ-CD2 3.49Å; F401-L560 VanDerWaalsContact CZ-CD2 3.49Å; F401-L560 HydrophobicContact CZ-CG 4.31Å; I457-L560 HydrophobicContact CG2-CD1 3.67Å; F461-L560 HydrophobicContact CB-CD1 4.21Å; F461-L560 HydrophobicContact CD1-CD2 4.33Å; F461-L560 HydrophobicContact CD2-CB 3.7Å; F461-L560 HydrophobicContact CD2-CD1 4.31Å; F461-L560 HydrophobicContact CD2-CD2 3.96Å; F461-L560 HydrophobicContact CD2-CG 4.19Å; F461-L560 HydrophobicContact CE1-CD2 4.26Å; F461-L560 HydrophobicContact CE2-CB 4.01Å; F461-L560 HydrophobicContact CE2-CD2 3.9Å; F461-L560 HydrophobicContact CE2-CG 4.48Å; F461-L560 WeakPolarHBondContact CE2-O 3.47Å; F461-L560 HydrophobicContact CG-CB 4.43Å; F461-L560 HydrophobicContact CG-CD1 4.22Å; F461-L560 HydrophobicContact CG-CD2 4.17Å; F461-L560 HydrophobicContact CG-CG 4.5Å; F461-L560 HydrophobicContact CZ-CD2 4.05Å; L469-L560 HydrophobicContact CD1-CB 4.36Å; L469-L560 HydrophobicContact CD1-CD1 4.27Å; L469-L560 HydrophobicContact CD2-CB 4.01Å; F556-L560 HydrophobicContact CD1-CD1 4.15Å; F556-L560 HydrophobicContact CE1-CD1 3.62Å; F556-L560 HydrophobicContact CE1-CG 4.31Å; F556-L560 HydrophobicContact CE2-CD1 4.42Å; F556-L560 HydrophobicContact CE2-CD2 4.21Å; F556-L560 HydrophobicContact CE2-CG 4.39Å; F556-L560 HydrophobicContact CZ-CD1 3.77Å; F556-L560 HydrophobicContact CZ-CD2 4.26Å; F556-L560 HydrophobicContact CZ-CG 4.23Å; F556-L560 WeakPolarHBondContact O-CG 3.49Å; F556-L560 PolarHBondContact O-N 2.73Å; V557-L560 PolarHBondContact O-N 3.31Å; Q558-L560 VanDerWaalsContact C-N 3.28Å; Q558-L560 PolarHBondContact O-N 2.9Å; L560-C563 PolarHBondContact O-N 3.21Å; L560-L564 PolarHBondContact O-N 3.28Å; L560-Y570 HydrophobicContact CD2-CD2 3.54Å; L560-Y570 HydrophobicContact CD2-CE2 4.01Å; L560-Y570 HydrophobicContact CD2-CG 3.99Å
561V98.6Very high98.1Very high35 Ų3556.5 Ų56.521%0.21230%0.299CS..Hα-helixtrans-60.3-471761700000110.4M466 L469 L470 V557 Q558 C563 L564 D565M466-V561 HydrophobicContact CE-CG1 4.22Å; M466-V561 HydrophobicContact SD-CG1 4.04Å; M466-V561 HydrophobicContact SD-CG2 4.39Å; L469-V561 HydrophobicContact CD2-CG2 3.81Å; L469-V561 HydrophobicContact CG-CG2 4.14Å; L470-V561 HydrophobicContact CD2-CG1 4.28Å; L470-V561 HydrophobicContact CD2-CG2 3.75Å; V557-V561 WeakPolarHBondContact O-CG2 3.37Å; V557-V561 PolarHBondContact O-N 2.68Å; Q558-V561 PolarHBondContact O-N 2.77Å; V561-C563 VanDerWaalsContact C-N 3.32Å; V561-C563 PolarHBondContact O-N 3Å; V561-L564 PolarHBondContact O-N 3.33Å; V561-D565 WeakPolarHBondContact O-CB 3.34Å; V561-D565 PolarHBondContact O-N 2.67Å
562E98.4Very high98Very high76 Ų7654.3 Ų54.336%0.35529%0.289SS..Hα-helixtrans-62.4-38.2177.6-71.6177.7-167.200112.6Q558 T559 R566Q558-E562 HydrophobicContact CG-CG 4.47Å; Q558-E562 WeakPolarHBondContact CG-OE1 3.49Å; Q558-E562 PolarHBondContact NE2-OE1 3.39Å; Q558-E562 WeakPolarHBondContact O-CG 3.44Å; Q558-E562 PolarHBondContact O-N 3.14Å; T559-E562 PolarHBondContact O-N 3.35Å; E562-R566 WeakPolarHBondContact O-CB 3.26Å; E562-R566 WeakPolarHBondContact O-CG 3.46Å; E562-R566 PolarHBondContact O-N 2.9Å
563C98.4Very high98Very high15 Ų1560 Ų6010%0.10132%0.319CS..Hα-helixtrans-62.6-45.5175-73.40000111.5F461 T559 L560 V561 G567 L568F461-C563 HydrophobicContact CE2-CB 3.82Å; F461-C563 HydrophobicContact CZ-CB 3.98Å; T559-C563 WeakPolarHBondContact O-CB 3.36Å; T559-C563 PolarHBondContact O-N 3.05Å; T559-C563 PolarHBondContact O-SG 2.79Å; L560-C563 PolarHBondContact O-N 3.21Å; V561-C563 VanDerWaalsContact C-N 3.32Å; V561-C563 PolarHBondContact O-N 3Å; C563-G567 CarbonylContact O-C 3.44Å; C563-G567 WeakPolarHBondContact O-CA 3.29Å; C563-G567 PolarHBondContact O-N 3.25Å; C563-L568 WeakPolarHBondContact CB-O 3.37Å; C563-L568 PolarHBondContact O-N 3.26Å
564L97.8Very high97.9Very high35 Ų3564 Ų6418%0.18334%0.344CS..Hα-helixtrans-67.2-44.7177.9-71.9-171.3000112.4F461 K464 M466 L469 L560 V561 R566 G567F461-L564 HydrophobicContact CD2-CD1 4.03Å; F461-L564 HydrophobicContact CD2-CD2 3.82Å; F461-L564 HydrophobicContact CD2-CG 3.62Å; F461-L564 HydrophobicContact CE2-CD2 3.75Å; F461-L564 HydrophobicContact CE2-CG 3.69Å; K464-L564 HydrophobicContact CB-CD2 4.2Å; K464-L564 HydrophobicContact CG-CD2 4.12Å; M466-L564 HydrophobicContact CE-CB 3.59Å; M466-L564 HydrophobicContact CE-CD1 4.49Å; L469-L564 HydrophobicContact CD2-CD1 3.56Å; L469-L564 HydrophobicContact CD2-CG 4.31Å; L560-L564 PolarHBondContact O-N 3.28Å; V561-L564 PolarHBondContact O-N 3.33Å; L564-R566 VanDerWaalsContact C-N 3.34Å; L564-R566 PolarHBondContact O-N 2.79Å; L564-G567 PolarHBondContact O-N 3.06Å
565D97.7Very high97.9Very high124 Ų12463.5 Ų63.566%0.66334%0.338SS*.Hα-helixtrans-60.8-42.9-179.2-177.565.2000111.9M466 V561M466-D565 HydrophobicContact CE-CB 4.14Å; V561-D565 WeakPolarHBondContact O-CB 3.34Å; V561-D565 PolarHBondContact O-N 2.67Å
566R97.1Very high97.9Very high168 Ų16863.5 Ų63.563%0.63434%0.338SS*.Hα-helixtrans-88.4-4.3-179.3-61.2-179.6-178.9-177.14.5114.2E562 L564 L568E562-R566 WeakPolarHBondContact O-CB 3.26Å; E562-R566 WeakPolarHBondContact O-CG 3.46Å; E562-R566 PolarHBondContact O-N 2.9Å; L564-R566 VanDerWaalsContact C-N 3.34Å; L564-R566 PolarHBondContact O-N 2.79Å; R566-L568 VanDerWaalsContact C-N 3.26Å; R566-L568 HydrophobicContact CB-CD1 3.95Å; R566-L568 HydrophobicContact CB-CG 3.89Å; R566-L568 PolarHBondContact O-N 2.91Å
567G95.6Very high97.9Very high68 Ų6870 Ų7070%0.70137%0.369SS*.THydrogen-bonded Turntrans63.329.1-173.600000114C563 L564C563-G567 CarbonylContact O-C 3.44Å; C563-G567 WeakPolarHBondContact O-CA 3.29Å; C563-G567 PolarHBondContact O-N 3.25Å; L564-G567 PolarHBondContact O-N 3.06Å
568L95.6Very high97.8Very high99 Ų9971.5 Ų71.552%0.51838%0.382SS..PPolyproline II helixtrans-96146.5179.9-65.5176000111.4C563 R566C563-L568 WeakPolarHBondContact CB-O 3.37Å; C563-L568 PolarHBondContact O-N 3.26Å; R566-L568 VanDerWaalsContact C-N 3.26Å; R566-L568 HydrophobicContact CB-CD1 3.95Å; R566-L568 HydrophobicContact CB-CG 3.89Å; R566-L568 PolarHBondContact O-N 2.91Å
569P96.1Very high97.9Very high96 Ų9666.4 Ų66.462%0.62336%0.358SS*.PPolyproline II helixtrans-72.9138.7173.430.3-33.7000110.9
570Y97.8Very high97.8Very high33 Ų3367 Ų6713%0.12936%0.358CS..PPolyproline II helixtrans-66.6133.9169.3173.1-94.9000110.8F401 F556 T559 L560 Q572 F575F401-Y570 AromaticContact CD2-CD1 3.73Å; F401-Y570 HydrophobicContact CD2-CD1 3.73Å; F401-Y570 AromaticContact CD2-CE1 3.79Å; F401-Y570 HydrophobicContact CD2-CE1 3.79Å; F401-Y570 AromaticContact CE2-CD1 3.42Å; F401-Y570 HydrophobicContact CE2-CD1 3.42Å; F401-Y570 VanDerWaalsContact CE2-CD1 3.42Å; F401-Y570 HydrophobicContact CE2-CD2 4.45Å; F401-Y570 AromaticContact CE2-CE1 3.75Å; F401-Y570 HydrophobicContact CE2-CE1 3.75Å; F401-Y570 AromaticContact CE2-CG 3.79Å; F401-Y570 HydrophobicContact CE2-CG 3.79Å; F556-Y570 HydrophobicContact CD2-CE2 4.23Å; F556-Y570 HydrophobicContact CE2-CE1 4.49Å; F556-Y570 AromaticContact CE2-CE2 3.95Å; F556-Y570 HydrophobicContact CE2-CE2 3.95Å; F556-Y570 AromaticContact CE2-CZ 3.73Å; F556-Y570 WeakPolarHBondContact CE2-OH 3.32Å; T559-Y570 HydrophobicContact CG2-CD2 3.95Å; T559-Y570 HydrophobicContact CG2-CE2 4.01Å; L560-Y570 HydrophobicContact CD2-CD2 3.54Å; L560-Y570 HydrophobicContact CD2-CE2 4.01Å; L560-Y570 HydrophobicContact CD2-CG 3.99Å; Y570-Q572 HydrophobicContact CE1-CB 4.02Å; Y570-Q572 VanDerWaalsContact CE1-OE1 3.32Å; Y570-Q572 VanDerWaalsContact OH-CD 3.25Å; Y570-Q572 PolarHBondContact OH-NE2 2.82Å; Y570-Q572 PolarHBondContact OH-OE1 3.32Å; Y570-F575 HydrophobicContact CE2-CB 3.8Å; Y570-F575 HydrophobicContact CE2-CG 4.14Å; Y570-F575 WeakPolarHBondContact OH-CB 3.49Å; Y570-F575 VanDerWaalsContact OH-CD1 3.27Å; Y570-F575 WeakPolarHBondContact OH-CD1 3.25Å; Y570-F575 VanDerWaalsContact OH-CG 3.31Å; Y570-F575 WeakPolarHBondContact OH-CG 3.15Å
571K97.9Very high97.8Very high133 Ų13372.7 Ų72.758%0.57839%0.385SS*.  trans-121.3112.4176.7-64.8-176.4-177.61800110D573 T574 F575K571-D573 VanDerWaalsContact C-N 3.29Å; K571-D573 PolarHBondContact O-N 3.46Å; K571-T574 PolarHBondContact O-N 3.44Å; K571-F575 PolarHBondContact O-N 3.29Å; K571-F575 VanDerWaalsContact O-N 3.12Å
572Q97.9Very high97.8Very high51 Ų5173.2 Ų73.224%0.23839%0.388CS..Hα-helixtrans-58.7-38.4-177.9-173.367.446.900112.4P399 S400 Y570 T574 F575 N576P399-Q572 PolarHBondContact O-NE2 2.83Å; S400-Q572 VanDerWaalsContact CB-OE1 3.26Å; Y570-Q572 HydrophobicContact CE1-CB 4.02Å; Y570-Q572 VanDerWaalsContact CE1-OE1 3.32Å; Y570-Q572 VanDerWaalsContact OH-CD 3.25Å; Y570-Q572 PolarHBondContact OH-NE2 2.82Å; Y570-Q572 PolarHBondContact OH-OE1 3.32Å; Q572-T574 PolarHBondContact O-N 2.92Å; Q572-F575 PolarHBondContact O-N 2.89Å; Q572-N576 PolarHBondContact NE2-OD1 3.37Å; Q572-N576 WeakPolarHBondContact O-CB 3.34Å; Q572-N576 PolarHBondContact O-N 3.48Å; Q572-N576 PolarHBondContact O-ND2 3.24Å; Q572-N576 PolarHBondContact O-OD1 2.98Å
573D97.9Very high97.8Very high119 Ų11969.6 Ų69.664%0.63637%0.371SS*.Hα-helixtrans-67-38.5-178.7-63.2-27.3000112.4K571 N576 Q577K571-D573 VanDerWaalsContact C-N 3.29Å; K571-D573 PolarHBondContact O-N 3.46Å; D573-N576 PolarHBondContact O-N 3.33Å; D573-Q577 WeakPolarHBondContact O-CG 3.4Å; D573-Q577 PolarHBondContact O-N 3.37Å
574T97.9Very high97.8Very high85 Ų8572 Ų7252%0.52138%0.381SS..Hα-helixtrans-65.7-43.1174.8-55.40000110.9K571 Q572 Q577 A578K571-T574 PolarHBondContact O-N 3.44Å; Q572-T574 PolarHBondContact O-N 2.92Å; T574-Q577 PolarHBondContact O-N 3.06Å; T574-A578 PolarHBondContact O-N 2.94Å; T574-A578 VanDerWaalsContact O-N 3.15Å
575F98.6Very high97.8Very high5 Ų572 Ų722%0.02239%0.39CS..Hα-helixtrans-62.4-43.4173173-99000111.8R398 P399 L555 F556 Y570 K571 Q572 Q577 A578 V579R398-F575 HydrophobicContact CG-CE1 4.26Å; P399-F575 HydrophobicContact CB-CE1 4.25Å; P399-F575 HydrophobicContact CB-CZ 4.1Å; P399-F575 HydrophobicContact CG-CZ 4.36Å; P399-F575 VanDerWaalsContact O-CE1 3.22Å; P399-F575 WeakPolarHBondContact O-CE1 3.47Å; L555-F575 HydrophobicContact CB-CE2 4.34Å; L555-F575 HydrophobicContact CD2-CE2 4.13Å; L555-F575 HydrophobicContact CG-CD2 4.4Å; L555-F575 HydrophobicContact CG-CE2 3.92Å; F556-F575 VanDerWaalsContact CA-CE2 3.46Å; F556-F575 HydrophobicContact CB-CE2 3.72Å; F556-F575 HydrophobicContact CB-CZ 3.73Å; F556-F575 HydrophobicContact CD2-CD1 4.46Å; F556-F575 HydrophobicContact CD2-CD2 4.29Å; F556-F575 HydrophobicContact CD2-CE1 4.14Å; F556-F575 AromaticContact CD2-CE2 3.98Å; F556-F575 HydrophobicContact CD2-CE2 3.98Å; F556-F575 AromaticContact CD2-CZ 3.89Å; F556-F575 HydrophobicContact CD2-CZ 3.89Å; F556-F575 HydrophobicContact CG-CE2 4.36Å; F556-F575 HydrophobicContact CG-CZ 4.25Å; Y570-F575 HydrophobicContact CE2-CB 3.8Å; Y570-F575 HydrophobicContact CE2-CG 4.14Å; Y570-F575 WeakPolarHBondContact OH-CB 3.49Å; Y570-F575 VanDerWaalsContact OH-CD1 3.27Å; Y570-F575 WeakPolarHBondContact OH-CD1 3.25Å; Y570-F575 VanDerWaalsContact OH-CG 3.31Å; Y570-F575 WeakPolarHBondContact OH-CG 3.15Å; K571-F575 PolarHBondContact O-N 3.29Å; K571-F575 VanDerWaalsContact O-N 3.12Å; Q572-F575 PolarHBondContact O-N 2.89Å; F575-Q577 VanDerWaalsContact C-N 3.28Å; F575-Q577 PolarHBondContact O-N 3.45Å; F575-A578 PolarHBondContact O-N 2.77Å; F575-A578 VanDerWaalsContact O-N 3.11Å; F575-V579 HydrophobicContact CD1-CG1 4.17Å; F575-V579 HydrophobicContact CE1-CB 4.01Å; F575-V579 HydrophobicContact CE1-CG1 3.84Å; F575-V579 HydrophobicContact CE1-CG2 4.3Å; F575-V579 HydrophobicContact CE2-CB 4.14Å; F575-V579 HydrophobicContact CE2-CG2 4.47Å; F575-V579 HydrophobicContact CZ-CB 3.8Å; F575-V579 HydrophobicContact CZ-CG1 4.16Å; F575-V579 HydrophobicContact CZ-CG2 3.87Å; F575-V579 WeakPolarHBondContact O-CB 3.2Å; F575-V579 VanDerWaalsContact O-CG1 3.3Å; F575-V579 WeakPolarHBondContact O-CG1 3.3Å; F575-V579 PolarHBondContact O-N 3.03Å
576N98.6Very high97.9Very high40 Ų4066.3 Ų66.321%0.21436%0.359CS..Hα-helixtrans-58.2-39.8178.2-75.4-14.7000111.9R398 Q572 D573 F580R398-N576 WeakPolarHBondContact CD-OD1 3.41Å; Q572-N576 PolarHBondContact NE2-OD1 3.37Å; Q572-N576 WeakPolarHBondContact O-CB 3.34Å; Q572-N576 PolarHBondContact O-N 3.48Å; Q572-N576 PolarHBondContact O-ND2 3.24Å; Q572-N576 PolarHBondContact O-OD1 2.98Å; D573-N576 PolarHBondContact O-N 3.33Å; N576-F580 VanDerWaalsContact O-CB 3.24Å; N576-F580 WeakPolarHBondContact O-CB 3.09Å; N576-F580 PolarHBondContact O-N 3.47Å; N576-F580 VanDerWaalsContact O-N 3.08Å
577Q98.2Very high97.9Very high139 Ų13958.4 Ų58.465%0.6533%0.329SS*.Hα-helixtrans-65.6-43.6174.9-71.6171.6-2.200111.9D573 T574 F575D573-Q577 WeakPolarHBondContact O-CG 3.4Å; D573-Q577 PolarHBondContact O-N 3.37Å; T574-Q577 PolarHBondContact O-N 3.06Å; F575-Q577 VanDerWaalsContact C-N 3.28Å; F575-Q577 PolarHBondContact O-N 3.45Å
578A98.6Very high98Very high43 Ų4361.8 Ų61.836%0.35532%0.322SS..Hα-helixtrans-68.4-47.4-18000000112.2L555 T574 F575 F580 Q581L555-A578 HydrophobicContact CD2-CB 4.05Å; T574-A578 PolarHBondContact O-N 2.94Å; T574-A578 VanDerWaalsContact O-N 3.15Å; F575-A578 PolarHBondContact O-N 2.77Å; F575-A578 VanDerWaalsContact O-N 3.11Å; A578-F580 VanDerWaalsContact C-N 3.3Å; A578-F580 PolarHBondContact O-N 3.41Å; A578-Q581 WeakPolarHBondContact O-CB 3.42Å; A578-Q581 PolarHBondContact O-N 3.47Å; A578-Q581 VanDerWaalsContact O-N 3.15Å
579V98.8Very high97.9Very high0 Ų060.4 Ų60.40%032%0.315CS..Hα-helixtrans-68.3-29.8-179.175.50000112R398 R552 L555 F575 Q581 V582 E583R398-V579 HydrophobicContact CG-CG1 3.95Å; R552-V579 HydrophobicContact CB-CG2 3.86Å; R552-V579 HydrophobicContact CG-CG2 3.61Å; L555-V579 HydrophobicContact CD2-CB 3.93Å; L555-V579 HydrophobicContact CD2-CG2 4.33Å; F575-V579 HydrophobicContact CD1-CG1 4.17Å; F575-V579 HydrophobicContact CE1-CB 4.01Å; F575-V579 HydrophobicContact CE1-CG1 3.84Å; F575-V579 HydrophobicContact CE1-CG2 4.3Å; F575-V579 HydrophobicContact CE2-CB 4.14Å; F575-V579 HydrophobicContact CE2-CG2 4.47Å; F575-V579 HydrophobicContact CZ-CB 3.8Å; F575-V579 HydrophobicContact CZ-CG1 4.16Å; F575-V579 HydrophobicContact CZ-CG2 3.87Å; F575-V579 WeakPolarHBondContact O-CB 3.2Å; F575-V579 VanDerWaalsContact O-CG1 3.3Å; F575-V579 WeakPolarHBondContact O-CG1 3.3Å; F575-V579 PolarHBondContact O-N 3.03Å; V579-Q581 PolarHBondContact O-N 3.34Å; V579-V582 WeakPolarHBondContact O-CB 3.35Å; V579-V582 PolarHBondContact O-N 3.24Å; V579-E583 HydrophobicContact CG2-CG 4.49Å; V579-E583 VanDerWaalsContact O-CG 3.3Å; V579-E583 WeakPolarHBondContact O-CG 3.37Å; V579-E583 PolarHBondContact O-N 3.23Å
580F98.7Very high97.7Very high43 Ų4358.4 Ų58.419%0.18931%0.312CS..Hα-helixtrans-60.1-33.2173179.7-106.5000112.4L526 N576 A578 V582 E583 Q584L526-F580 HydrophobicContact CD1-CE2 3.82Å; L526-F580 HydrophobicContact CD1-CZ 4.44Å; L526-F580 HydrophobicContact CD2-CD2 4.3Å; L526-F580 HydrophobicContact CD2-CE2 4.18Å; N576-F580 VanDerWaalsContact O-CB 3.24Å; N576-F580 WeakPolarHBondContact O-CB 3.09Å; N576-F580 PolarHBondContact O-N 3.47Å; N576-F580 VanDerWaalsContact O-N 3.08Å; A578-F580 VanDerWaalsContact C-N 3.3Å; A578-F580 PolarHBondContact O-N 3.41Å; F580-V582 VanDerWaalsContact C-N 3.32Å; F580-V582 PolarHBondContact O-N 3.44Å; F580-E583 PolarHBondContact O-N 2.81Å; F580-Q584 VanDerWaalsContact O-CB 3.25Å; F580-Q584 WeakPolarHBondContact O-CB 3.46Å; F580-Q584 PolarHBondContact O-N 3.44Å
581Q98.4Very high97.7Very high120 Ų12062 Ų6256%0.56133%0.325SS*.Hα-helixtrans-66.6-35.3174.4-60.1-56.6-59.100112.2A578 V579 G585A578-Q581 WeakPolarHBondContact O-CB 3.42Å; A578-Q581 PolarHBondContact O-N 3.47Å; A578-Q581 VanDerWaalsContact O-N 3.15Å; V579-Q581 PolarHBondContact O-N 3.34Å; Q581-G585 WeakPolarHBondContact O-CA 3.31Å; Q581-G585 PolarHBondContact O-N 2.99Å
582V98.4Very high97.6Very high45 Ų4564.1 Ų64.127%0.27334%0.335SS..Hα-helixtrans-65.9-47.3173.6177.90000110.1Q551 L555 V579 F580 G585 F586Q551-V582 HydrophobicContact CB-CG1 3.48Å; Q551-V582 VanDerWaalsContact CB-CG1 3.48Å; Q551-V582 HydrophobicContact CG-CG1 4.48Å; L555-V582 HydrophobicContact CD2-CG2 4.02Å; V579-V582 WeakPolarHBondContact O-CB 3.35Å; V579-V582 PolarHBondContact O-N 3.24Å; F580-V582 VanDerWaalsContact C-N 3.32Å; F580-V582 PolarHBondContact O-N 3.44Å; V582-G585 PolarHBondContact O-N 3.13Å; V582-F586 PolarHBondContact O-N 3.12Å
583E98.7Very high97.7Very high0 Ų062.7 Ų62.70%033%0.327CS..Hα-helixtrans-64.5-43.6-178.9-64.8165172.800111.8R398 L526 Y548 R552 V579 F580 F586R398-E583 IonicContact CZ-OE1 3.98Å; R398-E583 IonicContact CZ-OE2 2.78Å; R398-E583 IonicContact NE-OE1 2.88Å; R398-E583 PolarHBondContact NE-OE1 3.23Å; R398-E583 IonicContact NE-OE2 3.48Å; R398-E583 PolarHBondContact NE-OE2 3.45Å; R398-E583 IonicContact NH2-OE1 3.87Å; R398-E583 IonicContact NH2-OE2 2.83Å; R398-E583 PolarHBondContact NH2-OE2 2.65Å; L526-E583 HydrophobicContact CD2-CB 3.72Å; L526-E583 HydrophobicContact CD2-CG 4.49Å; L526-E583 HydrophobicContact CG-CB 4.44Å; Y548-E583 HydrophobicContact CE2-CB 3.7Å; Y548-E583 HydrophobicContact CE2-CG 3.63Å; R552-E583 HydrophobicContact CG-CG 4.22Å; R552-E583 IonicContact CZ-OE1 3.28Å; R552-E583 IonicContact NE-OE1 2.98Å; R552-E583 PolarHBondContact NE-OE1 3.35Å; R552-E583 IonicContact NH2-OE1 2.77Å; R552-E583 PolarHBondContact NH2-OE1 2.99Å; V579-E583 HydrophobicContact CG2-CG 4.49Å; V579-E583 VanDerWaalsContact O-CG 3.3Å; V579-E583 WeakPolarHBondContact O-CG 3.37Å; V579-E583 PolarHBondContact O-N 3.23Å; F580-E583 PolarHBondContact O-N 2.81Å; E583-F586 PolarHBondContact O-N 3.4Å
584Q98.3Very high97.6Very high65 Ų6559.9 Ų59.930%0.30432%0.315SS..Hα-helixtrans-67.3-40.2174.6-171.1179.818.200111.4F580 F586 I587 Y588F580-Q584 VanDerWaalsContact O-CB 3.25Å; F580-Q584 WeakPolarHBondContact O-CB 3.46Å; F580-Q584 PolarHBondContact O-N 3.44Å; Q584-F586 VanDerWaalsContact C-N 3.27Å; Q584-F586 PolarHBondContact O-N 3.09Å; Q584-I587 PolarHBondContact O-N 2.93Å; Q584-I587 VanDerWaalsContact O-N 3.11Å; Q584-Y588 HydrophobicContact CG-CD2 3.97Å; Q584-Y588 HydrophobicContact CG-CE2 3.93Å; Q584-Y588 WeakPolarHBondContact O-CD2 3.26Å; Q584-Y588 PolarHBondContact O-N 3.03Å
585G98.1Very high97.7Very high37 Ų3758.9 Ų58.938%0.38131%0.309SS..Hα-helixtrans-56.9-40.417600000112.3Q581 V582 I587 Y588 N589Q581-G585 WeakPolarHBondContact O-CA 3.31Å; Q581-G585 PolarHBondContact O-N 2.99Å; V582-G585 PolarHBondContact O-N 3.13Å; G585-I587 VanDerWaalsContact C-N 3.29Å; G585-I587 PolarHBondContact O-N 3.35Å; G585-Y588 PolarHBondContact O-N 3.07Å; G585-N589 VanDerWaalsContact O-CB 3.25Å; G585-N589 WeakPolarHBondContact O-CB 3.38Å; G585-N589 PolarHBondContact O-N 3.22Å
586F98.6Very high97.7Very high3 Ų366.2 Ų66.21%0.01334%0.341CS..Hα-helixtrans-58.7-37.5175.9170.8-98.5000113.4L496 R521 T525 L544 D547 Y548 V582 E583 Q584 N589L496-F586 HydrophobicContact CD2-CE2 3.97Å; L496-F586 HydrophobicContact CD2-CZ 3.79Å; R521-F586 HydrophobicContact CB-CD1 4.46Å; R521-F586 HydrophobicContact CB-CE1 3.94Å; R521-F586 HydrophobicContact CG-CE1 4.09Å; R521-F586 HydrophobicContact CG-CZ 4.37Å; R521-F586 PolarHBondContact NH1-O 3.06Å; T525-F586 HydrophobicContact CG2-CD1 3.81Å; T525-F586 HydrophobicContact CG2-CE1 3.67Å; L544-F586 HydrophobicContact CD1-CE1 3.7Å; L544-F586 HydrophobicContact CD1-CE2 3.92Å; L544-F586 HydrophobicContact CD1-CZ 3.33Å; D547-F586 HydrophobicContact CB-CD2 4.08Å; D547-F586 HydrophobicContact CB-CE2 4.32Å; Y548-F586 HydrophobicContact CD2-CB 3.89Å; Y548-F586 AromaticContact CD2-CD1 3.89Å; Y548-F586 HydrophobicContact CD2-CD1 3.89Å; Y548-F586 AromaticContact CD2-CG 3.88Å; Y548-F586 HydrophobicContact CD2-CG 3.88Å; Y548-F586 HydrophobicContact CG-CD1 4.45Å; Y548-F586 HydrophobicContact CG-CG 4.42Å; V582-F586 PolarHBondContact O-N 3.12Å; E583-F586 PolarHBondContact O-N 3.4Å; Q584-F586 VanDerWaalsContact C-N 3.27Å; Q584-F586 PolarHBondContact O-N 3.09Å; F586-N589 PolarHBondContact O-ND2 2.89Å; F586-N589 PolarHBondContact O-OD1 3.07Å
587I98.3Very high97.7Very high2 Ų267.2 Ų67.21%0.0135%0.35CS..Hα-helixtrans-68.9-37.8-178.4-64172.5000111.4M518 R521 N522 L526 Q584 G585M518-I587 HydrophobicContact CG-CG2 3.91Å; R521-I587 HydrophobicContact CB-CG1 4.33Å; R521-I587 HydrophobicContact CB-CG2 4.44Å; R521-I587 WeakPolarHBondContact CD-O 3.45Å; N522-I587 HydrophobicContact CB-CD1 4.05Å; N522-I587 HydrophobicContact CB-CG2 4.4Å; N522-I587 WeakPolarHBondContact ND2-CD1 3.33Å; L526-I587 HydrophobicContact CB-CD1 3.98Å; L526-I587 HydrophobicContact CD1-CD1 3.4Å; L526-I587 HydrophobicContact CG-CD1 3.62Å; Q584-I587 PolarHBondContact O-N 2.93Å; Q584-I587 VanDerWaalsContact O-N 3.11Å; G585-I587 VanDerWaalsContact C-N 3.29Å; G585-I587 PolarHBondContact O-N 3.35Å
588Y96.7Very high97.6Very high140 Ų14065.8 Ų65.855%0.54934%0.343SS..Hα-helixtrans-108.78.9-171.5-59-72.2000114M518 Q584 G585 G590M518-Y588 HydrophobicContact CG-CE1 3.75Å; Q584-Y588 HydrophobicContact CG-CD2 3.97Å; Q584-Y588 HydrophobicContact CG-CE2 3.93Å; Q584-Y588 WeakPolarHBondContact O-CD2 3.26Å; Q584-Y588 PolarHBondContact O-N 3.03Å; G585-Y588 PolarHBondContact O-N 3.07Å; Y588-G590 VanDerWaalsContact C-N 3.27Å; Y588-G590 PolarHBondContact O-N 3.32Å
589N93.6Very high97.6Very high69 Ų6966.8 Ų66.837%0.36936%0.358SS..SBendtrans-71.7-16.6-176.766.320.9000114.5R521 G585 F586 R591R521-N589 PolarHBondContact NH1-OD1 3.21Å; G585-N589 VanDerWaalsContact O-CB 3.25Å; G585-N589 WeakPolarHBondContact O-CB 3.38Å; G585-N589 PolarHBondContact O-N 3.22Å; F586-N589 PolarHBondContact O-ND2 2.89Å; F586-N589 PolarHBondContact O-OD1 3.07Å; N589-R591 PolarHBondContact O-N 3.2Å; N589-R591 WeakPolarHBondContact OD1-CB 3.3Å; N589-R591 PolarHBondContact OD1-N 2.96Å
590G92.9Very high97.6Very high54 Ų5471 Ų7156%0.55738%0.381SS*.  trans60.713.4-176.700000114.8Y588 K592Y588-G590 VanDerWaalsContact C-N 3.27Å; Y588-G590 PolarHBondContact O-N 3.32Å; G590-K592 PolarHBondContact O-N 3.23Å
591R96.8Very high97.5Very high109 Ų10969.3 Ų69.341%0.41137%0.374SS..  trans-69.1130-176.2-176.8167.8174-176.5-1.9110.1R521 E546 D547 N589 Y593R521-R591 PolarHBondContact NH2-O 3.01Å; E546-R591 IonicContact OE1-NH2 3.27Å; E546-R591 PolarHBondContact OE1-NH2 2.83Å; D547-R591 IonicContact OD1-CZ 2.77Å; D547-R591 IonicContact OD1-NH1 3.1Å; D547-R591 PolarHBondContact OD1-NH1 3.05Å; D547-R591 WeakPolarHBondContact OD2-CD 3.31Å; D547-R591 IonicContact OD2-CZ 3.3Å; D547-R591 IonicContact OD2-NE 3.36Å; D547-R591 PolarHBondContact OD2-NE 2.89Å; D547-R591 IonicContact OD2-NH1 3.59Å; D547-R591 PolarHBondContact OD2-NH1 2.78Å; D547-R591 IonicContact OD2-NH2 3.04Å; N589-R591 PolarHBondContact O-N 3.2Å; N589-R591 WeakPolarHBondContact OD1-CB 3.3Å; N589-R591 PolarHBondContact OD1-N 2.96Å; R591-Y593 HydrophobicContact CB-CE2 4.23Å; R591-Y593 HydrophobicContact CG-CE1 4.48Å; R591-Y593 HydrophobicContact CG-CE2 4.32Å; R591-Y593 WeakPolarHBondContact O-CD2 3.45Å; R591-Y593 VanDerWaalsContact O-CE2 3.27Å; R591-Y593 WeakPolarHBondContact O-CE2 3.34Å
592K96.8Very high97.5Very high178 Ų17866.2 Ų66.277%0.77436%0.357SS*.  trans-84.3142173.1-62.8-171.1178.1-170.60110.4G590G590-K592 PolarHBondContact O-N 3.23Å
593Y98.3Very high97.5Very high21 Ų2169.5 Ų69.58%0.08237%0.369CS..  trans-117.9150.5178.3-63.7-88.8000110.6L496 L500 D547 R591 T595L496-Y593 HydrophobicContact CD2-CD1 4.21Å; L496-Y593 HydrophobicContact CD2-CD2 3.74Å; L496-Y593 HydrophobicContact CD2-CE1 4.13Å; L496-Y593 HydrophobicContact CD2-CE2 3.62Å; L496-Y593 HydrophobicContact CD2-CG 4.03Å; L496-Y593 HydrophobicContact CG-CD2 4.18Å; L496-Y593 HydrophobicContact CG-CG 4.38Å; L500-Y593 HydrophobicContact CD1-CD2 3.65Å; L500-Y593 HydrophobicContact CD1-CE2 4.04Å; D547-Y593 HydrophobicContact CB-CE1 4.41Å; D547-Y593 WeakPolarHBondContact CB-OH 3.31Å; D547-Y593 WeakPolarHBondContact OD2-CE1 3.32Å; D547-Y593 VanDerWaalsContact OD2-CZ 3.22Å; D547-Y593 PolarHBondContact OD2-OH 2.99Å; R591-Y593 HydrophobicContact CB-CE2 4.23Å; R591-Y593 HydrophobicContact CG-CE1 4.48Å; R591-Y593 HydrophobicContact CG-CE2 4.32Å; R591-Y593 WeakPolarHBondContact O-CD2 3.45Å; R591-Y593 VanDerWaalsContact O-CE2 3.27Å; R591-Y593 WeakPolarHBondContact O-CE2 3.34Å; Y593-T595 PolarHBondContact O-N 2.83Å
594P97.6Very high97.6Very high60 Ų6070.1 Ų70.139%0.3937%0.373SS..  trans-58.2135.1176.9-23.433.9000112.6G497 Q598G497-P594 WeakPolarHBondContact CA-O 3.3Å; P594-Q598 HydrophobicContact CB-CG 4.47Å
595T98.3Very high97.6Very high64 Ų6467 Ų6739%0.39336%0.358SS..SBendtrans-97.5-1.517455.90000112.7E501 Y593E501-T595 HydrophobicContact CB-CG2 3.63Å; E501-T595 HydrophobicContact CG-CG2 3.97Å; Y593-T595 PolarHBondContact O-N 2.83Å
596K98.4Very high97.6Very high159 Ų15968.2 Ų68.269%0.69135%0.354SS*.SBendtrans-122.6146.5178.8-66.1-175.4179.7-179.20109.8
597P98.4Very high97.6Very high60 Ų6073.3 Ų73.339%0.3937%0.373SS..  trans-54.9147.3175.2-27.936.8000113.4S489 S490 Q492S489-P597 CarbonylContact O-C 3.5Å; S489-P597 WeakPolarHBondContact O-CA 3.46Å; S490-P597 WeakPolarHBondContact O-CB 3.44Å; Q492-P597 HydrophobicContact CB-CG 3.93Å
598Q97.9Very high97.6Very high109 Ų10973.2 Ų73.251%0.50937%0.372SS..  trans-129.2132.9177-61.5-170.7-500111.4S489 S490 P594S489-Q598 PolarHBondContact O-N 2.92Å; S490-Q598 VanDerWaalsContact CA-O 3.31Å; S490-Q598 WeakPolarHBondContact CA-O 3.17Å; S490-Q598 WeakPolarHBondContact CB-O 3.34Å; P594-Q598 HydrophobicContact CB-CG 4.47Å
599G97.4Very high97.7Very high65 Ų6568 Ų6867%0.6735%0.353SS*.SBendtrans81.5173.7-17700000113.2
600D98.1Very high98Very high89 Ų8969.8 Ų69.848%0.47636%0.362SS..  trans-94122.3175.2-178.7-83.7000110.1Y602 E603 I604D600-Y602 VanDerWaalsContact C-N 3.31Å; D600-Y602 PolarHBondContact O-N 2.88Å; D600-Y602 WeakPolarHBondContact OD1-CA 3.1Å; D600-Y602 WeakPolarHBondContact OD1-CB 3.47Å; D600-Y602 PolarHBondContact OD1-N 2.7Å; D600-E603 HydrophobicContact CB-CB 4.16Å; D600-E603 HydrophobicContact CB-CG 4.14Å; D600-E603 PolarHBondContact O-N 3.07Å; D600-E603 PolarHBondContact OD1-N 3.16Å; D600-I604 WeakPolarHBondContact O-CB 3.38Å; D600-I604 WeakPolarHBondContact O-CD1 3.44Å; D600-I604 VanDerWaalsContact O-CG1 3.25Å; D600-I604 WeakPolarHBondContact O-CG1 3.42Å; D600-I604 PolarHBondContact O-N 2.91Å; D600-I604 VanDerWaalsContact O-N 3.08Å
601T98.3Very high98.2Very high7 Ų771.4 Ų71.44%0.04335%0.353CS..Hα-helixtrans-58.1-40.8-176.9-55.20000112.6M429 V439 S490 A605M429-T601 HydrophobicContact CE-CG2 4.18Å; V439-T601 HydrophobicContact CG2-CG2 3.46Å; V439-T601 VanDerWaalsContact CG2-CG2 3.46Å; S490-T601 PolarHBondContact O-OG1 2.94Å; S490-T601 VanDerWaalsContact O-OG1 3.11Å; S490-T601 PolarHBondContact OG-OG1 3.44Å; T601-A605 VanDerWaalsContact O-CB 3.23Å; T601-A605 WeakPolarHBondContact O-CB 3.28Å; T601-A605 PolarHBondContact O-N 2.96Å
602Y98.4Very high98.3Very high55 Ų5566.2 Ų66.222%0.21633%0.334CS..Hα-helixtrans-70.9-48.6-177.4174.7-109.3000111.1M422 A425 P426 M429 D600 I604 A605 H606M422-Y602 HydrophobicContact CE-CE2 4.28Å; A425-Y602 HydrophobicContact CB-CD2 3.8Å; A425-Y602 HydrophobicContact CB-CE2 3.69Å; P426-Y602 HydrophobicContact CG-CE2 4.4Å; M429-Y602 HydrophobicContact CG-CD2 4.07Å; M429-Y602 HydrophobicContact CG-CG 4.13Å; M429-Y602 HydrophobicContact SD-CD2 4.25Å; M429-Y602 HydrophobicContact SD-CG 4.49Å; D600-Y602 VanDerWaalsContact C-N 3.31Å; D600-Y602 PolarHBondContact O-N 2.88Å; D600-Y602 WeakPolarHBondContact OD1-CA 3.1Å; D600-Y602 WeakPolarHBondContact OD1-CB 3.47Å; D600-Y602 PolarHBondContact OD1-N 2.7Å; Y602-I604 VanDerWaalsContact C-N 3.28Å; Y602-I604 PolarHBondContact O-N 3.1Å; Y602-A605 PolarHBondContact O-N 3.37Å; Y602-H606 HydrophobicContact CE2-CB 4.5Å; Y602-H606 WeakPolarHBondContact O-CB 3.2Å; Y602-H606 PolarHBondContact O-N 3Å
603E98.5Very high98.4Very high113 Ų11359.3 Ų59.353%0.52830%0.303SS..Hα-helixtrans-59.7-40.7179.4-68.4-59.4144.500111.6D600 R607D600-E603 HydrophobicContact CB-CB 4.16Å; D600-E603 HydrophobicContact CB-CG 4.14Å; D600-E603 PolarHBondContact O-N 3.07Å; D600-E603 PolarHBondContact OD1-N 3.16Å; E603-R607 WeakPolarHBondContact O-CB 3.39Å; E603-R607 PolarHBondContact O-N 3.12Å
604I98.8Very high98.3Very high14 Ų1462 Ų627%0.07232%0.323CS..Hα-helixtrans-66.1-51.8176.1-65.7165.3000110.6R486 L487 D600 Y602 H606 R607 I608R486-I604 HydrophobicContact CB-CG2 4.34Å; L487-I604 HydrophobicContact CB-CG2 4.03Å; L487-I604 HydrophobicContact CD1-CG2 4.25Å; D600-I604 WeakPolarHBondContact O-CB 3.38Å; D600-I604 WeakPolarHBondContact O-CD1 3.44Å; D600-I604 VanDerWaalsContact O-CG1 3.25Å; D600-I604 WeakPolarHBondContact O-CG1 3.42Å; D600-I604 PolarHBondContact O-N 2.91Å; D600-I604 VanDerWaalsContact O-N 3.08Å; Y602-I604 VanDerWaalsContact C-N 3.28Å; Y602-I604 PolarHBondContact O-N 3.1Å; I604-H606 VanDerWaalsContact C-N 3.31Å; I604-H606 PolarHBondContact O-N 3.18Å; I604-R607 PolarHBondContact O-N 3.42Å; I604-I608 HydrophobicContact CG2-CD1 3.81Å; I604-I608 VanDerWaalsContact O-CG1 3.27Å; I604-I608 WeakPolarHBondContact O-CG1 3.47Å; I604-I608 PolarHBondContact O-N 2.92Å
605A98.8Very high98.2Very high0 Ų062.4 Ų62.40%032%0.32CS..Hα-helixtrans-60.8-40179.900000112M422 L438 L487 T601 Y602 I608 F609M422-A605 HydrophobicContact SD-CB 4.19Å; L438-A605 HydrophobicContact CD2-CB 4.1Å; L438-A605 HydrophobicContact CG-CB 4.22Å; L487-A605 HydrophobicContact CD1-CB 4.08Å; T601-A605 VanDerWaalsContact O-CB 3.23Å; T601-A605 WeakPolarHBondContact O-CB 3.28Å; T601-A605 PolarHBondContact O-N 2.96Å; Y602-A605 PolarHBondContact O-N 3.37Å; A605-I608 PolarHBondContact O-N 3.11Å; A605-F609 WeakPolarHBondContact O-CB 3.49Å; A605-F609 PolarHBondContact O-N 3.46Å
606H98.7Very high98.1Very high61 Ų6159.4 Ų59.428%0.28230%0.301SS..Hα-helixtrans-66.1-44178.1-177-119.5000112.2M422 Y602 I604 I608 F609 L610M422-H606 VanDerWaalsContact CE-CA 3.47Å; M422-H606 HydrophobicContact CE-CB 3.8Å; Y602-H606 HydrophobicContact CE2-CB 4.5Å; Y602-H606 WeakPolarHBondContact O-CB 3.2Å; Y602-H606 PolarHBondContact O-N 3Å; I604-H606 VanDerWaalsContact C-N 3.31Å; I604-H606 PolarHBondContact O-N 3.18Å; H606-I608 VanDerWaalsContact C-N 3.33Å; H606-I608 PolarHBondContact O-N 3.26Å; H606-F609 WeakPolarHBondContact O-CB 3.33Å; H606-F609 PolarHBondContact O-N 3.12Å; H606-L610 WeakPolarHBondContact O-CG 3.45Å; H606-L610 PolarHBondContact O-N 3.34Å
607R98.5Very high98Very high110 Ų11054.9 Ų54.942%0.41528%0.283SS..Hα-helixtrans-58.9-44.9173.3179.7179.763.1-148.2-7111.8E483 E603 I604 F609 K611E483-R607 IonicContact OE1-CZ 3.21Å; E483-R607 IonicContact OE1-NE 2.75Å; E483-R607 PolarHBondContact OE1-NE 3.34Å; E483-R607 IonicContact OE1-NH2 2.67Å; E483-R607 PolarHBondContact OE1-NH2 3.02Å; E483-R607 IonicContact OE2-CZ 3.43Å; E483-R607 VanDerWaalsContact OE2-CZ 3.3Å; E483-R607 IonicContact OE2-NE 2.83Å; E483-R607 PolarHBondContact OE2-NE 3.11Å; E483-R607 IonicContact OE2-NH2 3.53Å; E483-R607 PolarHBondContact OE2-NH2 3.23Å; E603-R607 WeakPolarHBondContact O-CB 3.39Å; E603-R607 PolarHBondContact O-N 3.12Å; I604-R607 PolarHBondContact O-N 3.42Å; R607-F609 VanDerWaalsContact C-N 3.34Å; R607-K611 WeakPolarHBondContact O-CB 3.2Å; R607-K611 PolarHBondContact O-N 3.48Å
608I98.8Very high97.8Very high0 Ų059.4 Ų59.40%030%0.297CS..Hα-helixtrans-61.1-45.9176.5-68.8169.2000110.1W418 T442 L446 E483 L487 I604 A605 H606 K611 Y612W418-I608 HydrophobicContact CH2-CG2 4.4Å; W418-I608 HydrophobicContact CZ2-CG2 4.08Å; T442-I608 HydrophobicContact CG2-CB 4.4Å; T442-I608 HydrophobicContact CG2-CD1 4.47Å; T442-I608 HydrophobicContact CG2-CG2 3.78Å; L446-I608 HydrophobicContact CD1-CD1 4.29Å; L446-I608 HydrophobicContact CD1-CG2 3.99Å; L446-I608 HydrophobicContact CD2-CG2 3.87Å; L446-I608 HydrophobicContact CG-CG2 4.21Å; E483-I608 HydrophobicContact CB-CD1 4.09Å; E483-I608 HydrophobicContact CB-CG1 3.98Å; E483-I608 HydrophobicContact CG-CG1 4.35Å; L487-I608 HydrophobicContact CB-CD1 3.85Å; L487-I608 HydrophobicContact CD1-CD1 4.34Å; L487-I608 HydrophobicContact CD2-CD1 4.38Å; L487-I608 HydrophobicContact CG-CD1 4.41Å; I604-I608 HydrophobicContact CG2-CD1 3.81Å; I604-I608 VanDerWaalsContact O-CG1 3.27Å; I604-I608 WeakPolarHBondContact O-CG1 3.47Å; I604-I608 PolarHBondContact O-N 2.92Å; A605-I608 PolarHBondContact O-N 3.11Å; H606-I608 VanDerWaalsContact C-N 3.33Å; H606-I608 PolarHBondContact O-N 3.26Å; I608-K611 PolarHBondContact O-N 3.47Å; I608-Y612 HydrophobicContact CG2-CD2 3.85Å; I608-Y612 HydrophobicContact CG2-CE2 4.48Å; I608-Y612 WeakPolarHBondContact O-CD2 3.48Å; I608-Y612 PolarHBondContact O-N 3.42Å
609F98.8Very high97.5Very high31 Ų3158.2 Ų58.214%0.13629%0.288CS..Hα-helixtrans-58.5-53179.1-179.9-100.3000112.5W418 K419 M422 A605 H606 R607 K611 Y612 Y613W418-F609 AromaticContact CD2-CD2 3.78Å; W418-F609 HydrophobicContact CD2-CD2 3.78Å; W418-F609 HydrophobicContact CD2-CE2 4.26Å; W418-F609 AromaticContact CE2-CD2 3.62Å; W418-F609 AromaticContact CE3-CD2 3.99Å; W418-F609 HydrophobicContact CE3-CD2 3.99Å; W418-F609 HydrophobicContact CE3-CE2 4.3Å; W418-F609 HydrophobicContact CG-CD2 4.44Å; W418-F609 HydrophobicContact CH2-CB 4.28Å; W418-F609 AromaticContact CH2-CD2 3.96Å; W418-F609 HydrophobicContact CH2-CD2 3.96Å; W418-F609 VanDerWaalsContact CZ2-CA 3.45Å; W418-F609 HydrophobicContact CZ2-CB 3.78Å; W418-F609 AromaticContact CZ2-CD2 3.73Å; W418-F609 HydrophobicContact CZ2-CD2 3.73Å; W418-F609 HydrophobicContact CZ2-CG 4.25Å; W418-F609 HydrophobicContact CZ3-CD2 4.07Å; K419-F609 HydrophobicContact CB-CE2 3.99Å; K419-F609 HydrophobicContact CB-CZ 4.05Å; K419-F609 HydrophobicContact CG-CZ 4.11Å; M422-F609 HydrophobicContact CB-CD1 4.46Å; M422-F609 HydrophobicContact CB-CD2 4.23Å; M422-F609 HydrophobicContact CB-CE2 4.31Å; M422-F609 HydrophobicContact CB-CG 4.3Å; M422-F609 HydrophobicContact CB-CZ 4.47Å; M422-F609 HydrophobicContact CE-CB 4.14Å; M422-F609 HydrophobicContact CE-CG 4.48Å; M422-F609 HydrophobicContact CG-CB 4.02Å; M422-F609 HydrophobicContact CG-CD1 4.32Å; M422-F609 HydrophobicContact CG-CD2 3.55Å; M422-F609 HydrophobicContact CG-CE2 4.04Å; M422-F609 HydrophobicContact CG-CG 3.7Å; M422-F609 HydrophobicContact SD-CB 4.17Å; M422-F609 HydrophobicContact SD-CG 4.48Å; A605-F609 WeakPolarHBondContact O-CB 3.49Å; A605-F609 PolarHBondContact O-N 3.46Å; H606-F609 WeakPolarHBondContact O-CB 3.33Å; H606-F609 PolarHBondContact O-N 3.12Å; R607-F609 VanDerWaalsContact C-N 3.34Å; F609-K611 PolarHBondContact O-N 3.02Å; F609-K611 VanDerWaalsContact O-N 3.14Å; F609-Y612 PolarHBondContact O-N 3.01Å; F609-Y613 HydrophobicContact CD2-CD2 4.16Å; F609-Y613 HydrophobicContact CD2-CG 4.04Å; F609-Y613 HydrophobicContact CE1-CD1 4.48Å; F609-Y613 HydrophobicContact CE1-CG 4.46Å; F609-Y613 HydrophobicContact CE2-CD1 4Å; F609-Y613 AromaticContact CE2-CD2 3.42Å; F609-Y613 HydrophobicContact CE2-CD2 3.42Å; F609-Y613 VanDerWaalsContact CE2-CD2 3.42Å; F609-Y613 HydrophobicContact CE2-CE2 4.05Å; F609-Y613 AromaticContact CE2-CG 3.39Å; F609-Y613 HydrophobicContact CE2-CG 3.39Å; F609-Y613 AromaticContact CZ-CD1 3.75Å; F609-Y613 HydrophobicContact CZ-CD1 3.75Å; F609-Y613 HydrophobicContact CZ-CD2 4.02Å; F609-Y613 HydrophobicContact CZ-CE1 4.24Å; F609-Y613 HydrophobicContact CZ-CE2 4.47Å; F609-Y613 AromaticContact CZ-CG 3.64Å; F609-Y613 HydrophobicContact CZ-CG 3.64Å; F609-Y613 WeakPolarHBondContact O-CB 3.43Å; F609-Y613 PolarHBondContact O-N 2.9Å
610L98.5Very high97.1Very high107 Ų10758.5 Ų58.556%0.5627%0.274SS*.Hα-helixtrans-57.7-32.4179.2-69.4178.8000112.6H606H606-L610 WeakPolarHBondContact O-CG 3.45Å; H606-L610 PolarHBondContact O-N 3.34Å
611K98.1Very high95.6Very high87 Ų8764.6 Ų64.638%0.37830%0.299SS..Hα-helixtrans-80.6-47.1-178.2-172.5170.5-169.2166.70113.4D479 R607 I608 F609 Q615D479-K611 IonicContact OD1-NZ 3.99Å; D479-K611 PolarHBondContact OD1-NZ 3.2Å; D479-K611 WeakPolarHBondContact OD2-CE 3.38Å; D479-K611 IonicContact OD2-NZ 3.95Å; D479-K611 PolarHBondContact OD2-NZ 3.38Å; R607-K611 WeakPolarHBondContact O-CB 3.2Å; R607-K611 PolarHBondContact O-N 3.48Å; I608-K611 PolarHBondContact O-N 3.47Å; F609-K611 PolarHBondContact O-N 3.02Å; F609-K611 VanDerWaalsContact O-N 3.14Å; K611-Q615 PolarHBondContact O-NE2 3.06Å
612Y98.4Very high95.5Very high0 Ų067.5 Ų67.50%031%0.312CS..Hα-helixtrans-104.7-21.9-166.7-67-69.6000114L446 L449 V475 D479 L480 I608 F609 Q615 A616L446-Y612 HydrophobicContact CD2-CD2 4.03Å; L446-Y612 HydrophobicContact CD2-CE2 4.43Å; L446-Y612 HydrophobicContact CD2-CG 4.32Å; L449-Y612 HydrophobicContact CD1-CD1 4.23Å; L449-Y612 HydrophobicContact CD1-CG 4.19Å; V475-Y612 HydrophobicContact CG1-CE1 4.36Å; D479-Y612 PolarHBondContact OD1-OH 3.12Å; D479-Y612 PolarHBondContact OD2-OH 2.97Å; L480-Y612 VanDerWaalsContact CA-OH 3.28Å; L480-Y612 WeakPolarHBondContact CA-OH 3.22Å; L480-Y612 HydrophobicContact CB-CE1 4.44Å; L480-Y612 HydrophobicContact CD1-CE1 4.34Å; L480-Y612 PolarHBondContact N-OH 2.97Å; I608-Y612 HydrophobicContact CG2-CD2 3.85Å; I608-Y612 HydrophobicContact CG2-CE2 4.48Å; I608-Y612 WeakPolarHBondContact O-CD2 3.48Å; I608-Y612 PolarHBondContact O-N 3.42Å; F609-Y612 PolarHBondContact O-N 3.01Å; Y612-Q615 PolarHBondContact O-N 3.36Å; Y612-A616 WeakPolarHBondContact O-CB 3.42Å; Y612-A616 PolarHBondContact O-N 2.95Å
613Y98.5Very high95.3Very high34 Ų3468.2 Ų68.213%0.13332%0.317CS..Hα-helixtrans-59.8-46.5177-175.3-102.7000112.9F415 W418 K419 F609 Q615 A616 M617F415-Y613 HydrophobicContact CB-CE2 4.27Å; F415-Y613 WeakPolarHBondContact O-CE2 3.3Å; W418-Y613 AromaticContact CE3-CD2 3.72Å; W418-Y613 HydrophobicContact CE3-CD2 3.72Å; W418-Y613 AromaticContact CZ3-CD2 3.91Å; W418-Y613 HydrophobicContact CZ3-CD2 3.91Å; W418-Y613 HydrophobicContact CZ3-CG 4.36Å; K419-Y613 HydrophobicContact CB-CE2 3.81Å; K419-Y613 HydrophobicContact CD-CE1 4.13Å; K419-Y613 WeakPolarHBondContact CD-OH 3.29Å; F609-Y613 HydrophobicContact CD2-CD2 4.16Å; F609-Y613 HydrophobicContact CD2-CG 4.04Å; F609-Y613 HydrophobicContact CE1-CD1 4.48Å; F609-Y613 HydrophobicContact CE1-CG 4.46Å; F609-Y613 HydrophobicContact CE2-CD1 4Å; F609-Y613 AromaticContact CE2-CD2 3.42Å; F609-Y613 HydrophobicContact CE2-CD2 3.42Å; F609-Y613 VanDerWaalsContact CE2-CD2 3.42Å; F609-Y613 HydrophobicContact CE2-CE2 4.05Å; F609-Y613 AromaticContact CE2-CG 3.39Å; F609-Y613 HydrophobicContact CE2-CG 3.39Å; F609-Y613 AromaticContact CZ-CD1 3.75Å; F609-Y613 HydrophobicContact CZ-CD1 3.75Å; F609-Y613 HydrophobicContact CZ-CD2 4.02Å; F609-Y613 HydrophobicContact CZ-CE1 4.24Å; F609-Y613 HydrophobicContact CZ-CE2 4.47Å; F609-Y613 AromaticContact CZ-CG 3.64Å; F609-Y613 HydrophobicContact CZ-CG 3.64Å; F609-Y613 WeakPolarHBondContact O-CB 3.43Å; F609-Y613 PolarHBondContact O-N 2.9Å; Y613-Q615 VanDerWaalsContact C-N 3.27Å; Y613-Q615 PolarHBondContact O-N 2.9Å; Y613-A616 WeakPolarHBondContact O-CB 3.34Å; Y613-A616 PolarHBondContact O-N 2.94Å; Y613-M617 HydrophobicContact CD1-CG 4.24Å; Y613-M617 HydrophobicContact CD2-CG 4.5Å; Y613-M617 HydrophobicContact CE1-CG 3.81Å; Y613-M617 HydrophobicContact CE2-CG 4.09Å; Y613-M617 HydrophobicContact CE2-SD 4.03Å; Y613-M617 WeakPolarHBondContact O-CG 3.3Å; Y613-M617 PolarHBondContact O-N 3.49Å
614P97.8Very high95.2Very high78 Ų7865.7 Ų65.751%0.50631%0.306SS..Hα-helixtrans-61.6-35.5175.9-22.734.8000113K618P614-K618 WeakPolarHBondContact O-CB 3.26Å; P614-K618 PolarHBondContact O-N 3.13Å
615Q95.2Very high95Very high68 Ų6868.7 Ų68.732%0.31832%0.319SS..Hα-helixtrans-69.5-42.6177.2-62.8-179.449.600111.4K611 Y612 Y613 K618 R619K611-Q615 PolarHBondContact O-NE2 3.06Å; Y612-Q615 PolarHBondContact O-N 3.36Å; Y613-Q615 VanDerWaalsContact C-N 3.27Å; Y613-Q615 PolarHBondContact O-N 2.9Å; Q615-K618 PolarHBondContact O-N 2.99Å; Q615-R619 WeakPolarHBondContact O-CG 3.37Å; Q615-R619 PolarHBondContact O-N 3.46Å; Q615-R619 VanDerWaalsContact O-N 3.14Å
616A95.6Very high94.7Very high0 Ų073 Ų730%034%0.339CS..Hα-helixtrans-58.8-47.317600000110.9F415 L449 Y612 Y613 K618 R619F415-A616 HydrophobicContact CD1-CB 4.34Å; F415-A616 HydrophobicContact CD2-CB 3.77Å; F415-A616 HydrophobicContact CE1-CB 4.25Å; F415-A616 HydrophobicContact CE2-CB 3.68Å; F415-A616 HydrophobicContact CG-CB 4.13Å; F415-A616 HydrophobicContact CZ-CB 3.93Å; L449-A616 HydrophobicContact CD2-CB 4.01Å; Y612-A616 WeakPolarHBondContact O-CB 3.42Å; Y612-A616 PolarHBondContact O-N 2.95Å; Y613-A616 WeakPolarHBondContact O-CB 3.34Å; Y613-A616 PolarHBondContact O-N 2.94Å; A616-K618 PolarHBondContact O-N 3.44Å; A616-R619 PolarHBondContact O-N 2.91Å
617M96.9Very high94.5Very high65 Ų6573.8 Ų73.832%0.3234%0.343SS..Hα-helixtrans-65-37.8177.2-65.2-53.1-64.500112.9F415 Y613 R619 L620F415-M617 HydrophobicContact CB-SD 4.22Å; Y613-M617 HydrophobicContact CD1-CG 4.24Å; Y613-M617 HydrophobicContact CD2-CG 4.5Å; Y613-M617 HydrophobicContact CE1-CG 3.81Å; Y613-M617 HydrophobicContact CE2-CG 4.09Å; Y613-M617 HydrophobicContact CE2-SD 4.03Å; Y613-M617 WeakPolarHBondContact O-CG 3.3Å; Y613-M617 PolarHBondContact O-N 3.49Å; M617-R619 VanDerWaalsContact C-N 3.25Å; M617-R619 PolarHBondContact O-N 3.47Å; M617-L620 HydrophobicContact CE-CD1 3.97Å; M617-L620 WeakPolarHBondContact O-CB 3.36Å; M617-L620 PolarHBondContact O-N 2.76Å; M617-L620 HydrophobicContact SD-CD1 3.93Å
618K94.1Very high94.2Very high155 Ų15571.2 Ų71.267%0.67434%0.338SS*.Hα-helixtrans-63.4-31.7176.2-174.8178.9177.3-175.20112.4P614 Q615 A616 L620 Q621P614-K618 WeakPolarHBondContact O-CB 3.26Å; P614-K618 PolarHBondContact O-N 3.13Å; Q615-K618 PolarHBondContact O-N 2.99Å; A616-K618 PolarHBondContact O-N 3.44Å; K618-L620 VanDerWaalsContact C-N 3.27Å; K618-L620 PolarHBondContact O-N 3.12Å; K618-Q621 PolarHBondContact O-N 2.85Å
619R90.8Very high93.8Very high83 Ų8376.7 Ų76.731%0.31336%0.364SS..THydrogen-bonded Turntrans-76.1-11.8178.6-70.2178-178.3-815113.9F453 D456 Q615 A616 M617F453-R619 VanDerWaalsContact CE1-NH2 3.33Å; D456-R619 IonicContact OD1-NH1 3.87Å; D456-R619 PolarHBondContact OD1-NH1 3.09Å; D456-R619 IonicContact OD2-CZ 3.78Å; D456-R619 IonicContact OD2-NH1 2.99Å; D456-R619 PolarHBondContact OD2-NH1 3.33Å; D456-R619 IonicContact OD2-NH2 2.77Å; D456-R619 PolarHBondContact OD2-NH2 2.89Å; Q615-R619 WeakPolarHBondContact O-CG 3.37Å; Q615-R619 PolarHBondContact O-N 3.46Å; Q615-R619 VanDerWaalsContact O-N 3.14Å; A616-R619 PolarHBondContact O-N 2.91Å; M617-R619 VanDerWaalsContact C-N 3.25Å; M617-R619 PolarHBondContact O-N 3.47Å
620L89.3Confident93.4Very high72 Ų7280.5 Ų80.538%0.37738%0.383SS..THydrogen-bonded Turntrans-83-14.6173-61177.9000113P411 A412 F415 M617 K618P411-L620 HydrophobicContact CB-CD2 4.1Å; A412-L620 HydrophobicContact CB-CD1 3.72Å; A412-L620 HydrophobicContact CB-CD2 4.34Å; F415-L620 HydrophobicContact CD2-CD1 3.96Å; F415-L620 HydrophobicContact CD2-CD2 4.25Å; F415-L620 HydrophobicContact CD2-CG 4.21Å; F415-L620 HydrophobicContact CE2-CD2 4.04Å; F415-L620 HydrophobicContact CE2-CG 4.27Å; M617-L620 HydrophobicContact CE-CD1 3.97Å; M617-L620 WeakPolarHBondContact O-CB 3.36Å; M617-L620 PolarHBondContact O-N 2.76Å; M617-L620 HydrophobicContact SD-CD1 3.93Å; K618-L620 VanDerWaalsContact C-N 3.27Å; K618-L620 PolarHBondContact O-N 3.12Å
621Q67.7Low92.9Very high217 Ų21778.1 Ų78.1100%1.01437%0.367SS*.  trans-90.90178.3-61.6177.5-7.500110.1K618K618-Q621 PolarHBondContact O-N 2.85Å

Retrieved 621 of 621 residues in 365.1 ms (Link to these results)

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