A0A3Q0KTA1_SCHMA Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KTA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 697 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
1M37.8Very low57.3Low241 Ų241127.8 Ų127.8100%1.18761%0.614SS**  0830-71.1-172.6-139.700108.9
2F42.5Very low60Low201 Ų201121.5 Ų121.588%0.88259%0.586SS**  trans-97.480.1161.3-70.8-79.2000105.2F4F2-F4 PolarHBondContact O-N 3.34Å; F2-F4 VanDerWaalsContact O-N 3.09Å
3G41.1Very low62.4Low57 Ų57114.8 Ų114.859%0.58856%0.557SS**  trans-57.8118.1169.200000106.4Y5G3-Y5 PolarHBondContact O-N 2.84Å
4F43.9Very low64.5Low203 Ų203107.4 Ų107.489%0.8952%0.52SS*.  trans-60.589.9165.3-71.6-91.6000105.6F2 E6F2-F4 PolarHBondContact O-N 3.34Å; F2-F4 VanDerWaalsContact O-N 3.09Å; F4-E6 PolarHBondContact O-N 2.77Å
5Y43.5Very low66.2Low218 Ų218104.4 Ų104.486%0.85551%0.507SS*.  trans-56.3110.5165-84.3-89.9000104.8G3 K7G3-Y5 PolarHBondContact O-N 2.84Å; Y5-K7 PolarHBondContact O-N 3.22Å
6E49.7Very low67.7Low183 Ų183108.6 Ų108.686%0.85552%0.522SS*.PPolyproline II helixtrans-49.1122.5167.7-81.7-173.4147.300106.3F4F4-E6 PolarHBondContact O-N 2.77Å
7K56.1Low69.2Low189 Ų189102.4 Ų102.482%0.82249%0.492SS*.PPolyproline II helixtrans-54.8132.6-179.3-78.4-176.6176.2-179.50107.7Y5 N9Y5-K7 PolarHBondContact O-N 3.22Å; K7-N9 PolarHBondContact O-N 3.35Å
8P60.7Low70.4Confident61 Ų6197.1 Ų97.140%0.39647%0.467SS..PPolyproline II helixtrans-53.2127.8178.114-24.6000109.8Y10 I15P8-Y10 HydrophobicContact CB-CD2 3.86Å; P8-Y10 PolarHBondContact O-N 3.35Å; P8-I15 HydrophobicContact CG-CD1 4.18Å
9N80.5Confident71.2Confident45 Ų45101.8 Ų101.824%0.24149%0.488CS..BIsolated β-bridgetrans-8161.5178.8-168.828.5000109.8K7 F26 F27 G373 I375K7-N9 PolarHBondContact O-N 3.35Å; N9-F26 WeakPolarHBondContact O-CB 3.48Å; N9-F26 PolarHBondContact O-N 2.66Å; N9-F27 WeakPolarHBondContact ND2-CD2 3.22Å; N9-G373 PolarHBondContact ND2-O 2.6Å; N9-I375 WeakPolarHBondContact O-CD1 3.49Å; N9-I375 PolarHBondContact OD1-N 2.98Å
10Y86.6Confident71.7Confident7 Ų798.4 Ų98.43%0.02747%0.474CS..SBendtrans-130.2144.3-179.8-72.5-93.3000110.8P8 D12 Y14 P20 G24 S25 F26 H377P8-Y10 HydrophobicContact CB-CD2 3.86Å; P8-Y10 PolarHBondContact O-N 3.35Å; Y10-D12 PolarHBondContact O-N 3.46Å; Y10-Y14 AromaticContact CD1-CD1 3.56Å; Y10-Y14 HydrophobicContact CD1-CD1 3.56Å; Y10-Y14 AromaticContact CD1-CE1 3.66Å; Y10-Y14 HydrophobicContact CD1-CE1 3.66Å; Y10-Y14 HydrophobicContact CD1-CG 4.48Å; Y10-Y14 HydrophobicContact CE1-CD1 4.29Å; Y10-Y14 AromaticContact CE1-CE1 3.92Å; Y10-Y14 HydrophobicContact CE1-CE1 3.92Å; Y10-Y14 HydrophobicContact CG-CD1 4.31Å; Y10-P20 HydrophobicContact CD1-CB 4.06Å; Y10-P20 HydrophobicContact CD2-CB 3.89Å; Y10-P20 HydrophobicContact CD2-CG 4.47Å; Y10-P20 HydrophobicContact CE1-CB 3.89Å; Y10-P20 HydrophobicContact CE2-CB 3.65Å; Y10-P20 HydrophobicContact CG-CB 4.07Å; Y10-G24 WeakPolarHBondContact CE2-O 3.27Å; Y10-G24 WeakPolarHBondContact OH-CA 3.31Å; Y10-S25 VanDerWaalsContact CZ-C 3.42Å; Y10-S25 PolarHBondContact OH-N 3.3Å; Y10-S25 PolarHBondContact OH-O 3.36Å; Y10-F26 HydrophobicContact CD1-CB 3.66Å; Y10-F26 AromaticContact CD1-CD2 3.91Å; Y10-F26 HydrophobicContact CD1-CD2 3.91Å; Y10-F26 HydrophobicContact CD1-CG 4.29Å; Y10-F26 HydrophobicContact CE1-CB 4.07Å; Y10-F26 HydrophobicContact CE1-CD2 4.35Å; Y10-F26 HydrophobicContact CG-CB 4.14Å; Y10-H377 PolarHBondContact O-CE1 3.48Å
11P88.5Confident71.7Confident1 Ų197.1 Ų97.11%0.00648%0.475CS..  trans-62.2139.1176.4-22.736.1000111.4V13 Y14 I15 F26 I375 L422P11-V13 HydrophobicContact CB-CG1 4.21Å; P11-V13 PolarHBondContact O-N 3.14Å; P11-V13 VanDerWaalsContact O-N 3.1Å; P11-Y14 WeakPolarHBondContact O-CA 3.12Å; P11-Y14 WeakPolarHBondContact O-CB 3.39Å; P11-Y14 PolarHBondContact O-N 3.41Å; P11-I15 PolarHBondContact O-N 3.04Å; P11-F26 HydrophobicContact CG-CD1 4.43Å; P11-F26 HydrophobicContact CG-CD2 4.49Å; P11-F26 HydrophobicContact CG-CG 4.35Å; P11-I375 HydrophobicContact CB-CG2 4.38Å; P11-I375 VanDerWaalsContact CD-CD1 3.46Å; P11-I375 HydrophobicContact CG-CD1 3.73Å; P11-I375 HydrophobicContact CG-CG1 4.39Å; P11-I375 HydrophobicContact CG-CG2 4.29Å; P11-L422 HydrophobicContact CB-CD1 4.1Å; P11-L422 HydrophobicContact CB-CD2 4.4Å; P11-L422 HydrophobicContact CG-CD1 4.2Å; P11-L422 HydrophobicContact CG-CD2 3.64Å; P11-L422 HydrophobicContact CG-CG 4.07Å
12D89.2Confident73.3Confident52 Ų5292 Ų9228%0.27846%0.46SS..Hα-helixtrans-57-33.7-177.6-66.2-42000113Y10 Y14 K16 H377 H378Y10-D12 PolarHBondContact O-N 3.46Å; D12-Y14 VanDerWaalsContact C-N 3.3Å; D12-K16 VanDerWaalsContact O-CG 3.31Å; D12-K16 WeakPolarHBondContact O-CG 3.19Å; D12-K16 PolarHBondContact O-N 3.39Å; D12-H377 IonicContact OD1-CE1 3.27Å; D12-H377 PolarHBondContact OD1-CE1 3.47Å; D12-H377 VanDerWaalsContact OD1-CE1 3.3Å; D12-H377 IonicContact OD1-ND1 3.81Å; D12-H377 PolarHBondContact OD1-ND1 2.92Å; D12-H377 IonicContact OD2-CE1 2.82Å; D12-H377 IonicContact OD2-CG 2.72Å; D12-H377 IonicContact OD2-ND1 2.75Å; D12-H377 PolarHBondContact OD2-ND1 3.12Å; D12-H378 IonicContact OD2-CE1 3.86Å; D12-H378 PolarHBondContact OD2-CE1 3.34Å; D12-H378 IonicContact OD2-ND1 3.97Å; D12-H378 IonicContact OD2-NE2 2.88Å
13V91Very high74.6Confident35 Ų3586.3 Ų86.321%0.21246%0.459CS..Hα-helixtrans-65.6-35.6175.768.20000111.6P11 K16 I17 R396 C398 L422P11-V13 HydrophobicContact CB-CG1 4.21Å; P11-V13 PolarHBondContact O-N 3.14Å; P11-V13 VanDerWaalsContact O-N 3.1Å; V13-K16 PolarHBondContact O-N 3.02Å; V13-I17 HydrophobicContact CG2-CD1 4.18Å; V13-I17 VanDerWaalsContact O-CD1 3.24Å; V13-I17 WeakPolarHBondContact O-CD1 3.47Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; V13-R396 WeakPolarHBondContact CG2-O 3.38Å; V13-C398 HydrophobicContact CG1-CB 4.19Å; V13-L422 HydrophobicContact CG1-CD1 3.76Å
14Y91.3Very high76.3Confident10 Ų1084.5 Ų84.54%0.03944%0.439CS..Hα-helixtrans-67.1-48.8179.2-175.7-90000111.1Y10 P11 D12 K16 I17 H18 P20 F26 K276 C398Y10-Y14 AromaticContact CD1-CD1 3.56Å; Y10-Y14 HydrophobicContact CD1-CD1 3.56Å; Y10-Y14 AromaticContact CD1-CE1 3.66Å; Y10-Y14 HydrophobicContact CD1-CE1 3.66Å; Y10-Y14 HydrophobicContact CD1-CG 4.48Å; Y10-Y14 HydrophobicContact CE1-CD1 4.29Å; Y10-Y14 AromaticContact CE1-CE1 3.92Å; Y10-Y14 HydrophobicContact CE1-CE1 3.92Å; Y10-Y14 HydrophobicContact CG-CD1 4.31Å; P11-Y14 WeakPolarHBondContact O-CA 3.12Å; P11-Y14 WeakPolarHBondContact O-CB 3.39Å; P11-Y14 PolarHBondContact O-N 3.41Å; D12-Y14 VanDerWaalsContact C-N 3.3Å; Y14-K16 PolarHBondContact O-N 2.78Å; Y14-I17 PolarHBondContact O-N 2.73Å; Y14-H18 HydrophobicContact CD1-CB 4.06Å; Y14-H18 AromaticContact CD2-ND1 3.64Å; Y14-H18 HydrophobicContact CE1-CB 3.49Å; Y14-H18 VanDerWaalsContact CE1-CB 3.49Å; Y14-H18 AromaticContact CE1-CG 3.95Å; Y14-H18 HydrophobicContact CE2-CB 4.04Å; Y14-H18 AromaticContact CE2-CD2 3.99Å; Y14-H18 AromaticContact CE2-CE1 3.74Å; Y14-H18 AromaticContact CE2-CG 3.53Å; Y14-H18 AromaticContact CE2-ND1 3.34Å; Y14-H18 VanDerWaalsContact CE2-ND1 3.34Å; Y14-H18 WeakPolarHBondContact CE2-ND1 3.45Å; Y14-H18 VanDerWaalsContact CZ-CB 3.44Å; Y14-H18 AromaticContact CZ-CD2 3.86Å; Y14-H18 AromaticContact CZ-CG 3.38Å; Y14-H18 AromaticContact CZ-ND1 3.71Å; Y14-H18 PolarHBondContact O-N 3.29Å; Y14-H18 WeakPolarHBondContact OH-CB 3.31Å; Y14-H18 PolarHBondContact OH-CD2 2.92Å; Y14-P20 HydrophobicContact CE1-CB 4.4Å; Y14-F26 HydrophobicContact CD2-CD2 4.34Å; Y14-F26 AromaticContact CD2-CE2 3.95Å; Y14-F26 HydrophobicContact CD2-CE2 3.95Å; Y14-F26 HydrophobicContact CE2-CE2 4.19Å; Y14-F26 HydrophobicContact CG-CD2 4.39Å; Y14-F26 HydrophobicContact CG-CE2 4.4Å; Y14-K276 HydrophobicContact CE2-CB 3.88Å; Y14-K276 HydrophobicContact CE2-CG 4.46Å; Y14-K276 WeakPolarHBondContact CE2-O 3.29Å; Y14-K276 VanDerWaalsContact OH-CA 3.32Å; Y14-K276 WeakPolarHBondContact OH-CA 3.47Å; Y14-K276 VanDerWaalsContact OH-CB 3.26Å; Y14-K276 WeakPolarHBondContact OH-CB 3.44Å; Y14-K276 VanDerWaalsContact OH-CG 3.24Å; Y14-K276 WeakPolarHBondContact OH-CG 3.29Å; Y14-C398 HydrophobicContact CD2-CB 4.11Å
15I90.1Very high78.3Confident63 Ų6377 Ų7732%0.32341%0.412SS..Hα-helixtrans-61.8-26.7179.9-52.4176.5000112.1P8 P11 I17 H18 P20P8-I15 HydrophobicContact CG-CD1 4.18Å; P11-I15 PolarHBondContact O-N 3.04Å; I15-I17 VanDerWaalsContact C-N 3.25Å; I15-I17 PolarHBondContact O-N 3.21Å; I15-H18 CarbonylContact C-O 3.28Å; I15-P20 HydrophobicContact CG1-CG 4.24Å; I15-P20 HydrophobicContact CG2-CG 4.28Å
16K90.7Very high80.3Confident171 Ų17166.6 Ų66.674%0.74337%0.372SS*.THydrogen-bonded Turntrans-74.6-13.6176.1-72.5172.3-174.4178.40113.9D12 V13 Y14D12-K16 VanDerWaalsContact O-CG 3.31Å; D12-K16 WeakPolarHBondContact O-CG 3.19Å; D12-K16 PolarHBondContact O-N 3.39Å; V13-K16 PolarHBondContact O-N 3.02Å; Y14-K16 PolarHBondContact O-N 2.78Å
17I92.8Very high82.3Confident3 Ų358.8 Ų58.82%0.01534%0.335CS..THydrogen-bonded Turntrans-115.3-49.6-173-61.6160.6000109.6V13 Y14 I15 C279 N281 T329 R396 C398V13-I17 HydrophobicContact CG2-CD1 4.18Å; V13-I17 VanDerWaalsContact O-CD1 3.24Å; V13-I17 WeakPolarHBondContact O-CD1 3.47Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; Y14-I17 PolarHBondContact O-N 2.73Å; I15-I17 VanDerWaalsContact C-N 3.25Å; I15-I17 PolarHBondContact O-N 3.21Å; I17-C279 PolarHBondContact O-SG 2.88Å; I17-N281 HydrophobicContact CG2-CB 4.45Å; I17-N281 WeakPolarHBondContact O-CB 3.37Å; I17-N281 PolarHBondContact O-ND2 3.43Å; I17-T329 HydrophobicContact CD1-CG2 3.62Å; I17-T329 HydrophobicContact CG1-CG2 4.07Å; I17-T329 HydrophobicContact CG2-CG2 3.91Å; I17-R396 HydrophobicContact CD1-CB 4.31Å; I17-R396 WeakPolarHBondContact CD1-O 3.4Å; I17-C398 HydrophobicContact CD1-CB 3.97Å
18H91.5Very high83.9Confident8 Ų850.1 Ų50.14%0.03730%0.298CS..SBendtrans-100.6154.2-178.9-61.881.4000110.1Y14 I15 P20 C279 C398Y14-H18 HydrophobicContact CD1-CB 4.06Å; Y14-H18 AromaticContact CD2-ND1 3.64Å; Y14-H18 HydrophobicContact CE1-CB 3.49Å; Y14-H18 VanDerWaalsContact CE1-CB 3.49Å; Y14-H18 AromaticContact CE1-CG 3.95Å; Y14-H18 HydrophobicContact CE2-CB 4.04Å; Y14-H18 AromaticContact CE2-CD2 3.99Å; Y14-H18 AromaticContact CE2-CE1 3.74Å; Y14-H18 AromaticContact CE2-CG 3.53Å; Y14-H18 AromaticContact CE2-ND1 3.34Å; Y14-H18 VanDerWaalsContact CE2-ND1 3.34Å; Y14-H18 WeakPolarHBondContact CE2-ND1 3.45Å; Y14-H18 VanDerWaalsContact CZ-CB 3.44Å; Y14-H18 AromaticContact CZ-CD2 3.86Å; Y14-H18 AromaticContact CZ-CG 3.38Å; Y14-H18 AromaticContact CZ-ND1 3.71Å; Y14-H18 PolarHBondContact O-N 3.29Å; Y14-H18 WeakPolarHBondContact OH-CB 3.31Å; Y14-H18 PolarHBondContact OH-CD2 2.92Å; I15-H18 CarbonylContact C-O 3.28Å; H18-P20 WeakPolarHBondContact O-CD 3.39Å; H18-C279 PolarHBondContact CD2-SG 3.27Å; H18-C398 VanDerWaalsContact CE1-SG 3.56Å
19E85.3Confident85.3Confident186 Ų18652 Ų5287%0.86931%0.312SS*.  trans-97.889.4171.1-68.2175.7-165.900107.9
20P81Confident85.8Confident33 Ų3353 Ų5321%0.21431%0.313CS..PPolyproline II helixtrans-64.9150.3-178.929.1-36.9000110.8Y10 Y14 I15 H18Y10-P20 HydrophobicContact CD1-CB 4.06Å; Y10-P20 HydrophobicContact CD2-CB 3.89Å; Y10-P20 HydrophobicContact CD2-CG 4.47Å; Y10-P20 HydrophobicContact CE1-CB 3.89Å; Y10-P20 HydrophobicContact CE2-CB 3.65Å; Y10-P20 HydrophobicContact CG-CB 4.07Å; Y14-P20 HydrophobicContact CE1-CB 4.4Å; I15-P20 HydrophobicContact CG1-CG 4.24Å; I15-P20 HydrophobicContact CG2-CG 4.28Å; H18-P20 WeakPolarHBondContact O-CD 3.39Å
21S72.1Confident85.9Confident72 Ų7254.7 Ų54.750%0.50332%0.322SS..PPolyproline II helixtrans-61.6137.5173.554.90000110.7G23 G24S21-G23 PolarHBondContact O-N 3.46Å; S21-G24 PolarHBondContact O-N 2.65Å
22P71.9Confident86.1Confident134 Ų13461.2 Ų61.287%0.8736%0.357SS*.THydrogen-bonded Turntrans-57.3123.7174.6-23.833.3000110.7G24P22-G24 VanDerWaalsContact C-N 3.28Å; P22-G24 PolarHBondContact O-N 3.46Å
23G69.2Low86.2Confident82 Ų8264.4 Ų64.485%0.84537%0.371SS*.THydrogen-bonded Turntrans77.45.3-177.900000115.3S21S21-G23 PolarHBondContact O-N 3.46Å
24G76.8Confident86.3Confident18 Ų1862.8 Ų62.819%0.18636%0.361CS..  trans-69.3170.5174.600000113.6Y10 S21 P22Y10-G24 WeakPolarHBondContact CE2-O 3.27Å; Y10-G24 WeakPolarHBondContact OH-CA 3.31Å; S21-G24 PolarHBondContact O-N 2.65Å; P22-G24 VanDerWaalsContact C-N 3.28Å; P22-G24 PolarHBondContact O-N 3.46Å
25S85.2Confident86.5Confident45 Ų4562.5 Ų62.532%0.31536%0.36SS..BIsolated β-bridgetrans-119.6142.8171.1175.90000109.9Y10 F27 K276Y10-S25 VanDerWaalsContact CZ-C 3.42Å; Y10-S25 PolarHBondContact OH-N 3.3Å; Y10-S25 PolarHBondContact OH-O 3.36Å; S25-F27 VanDerWaalsContact C-N 3.33Å; S25-F27 PolarHBondContact OG-N 2.95Å; S25-F27 VanDerWaalsContact OG-N 3.13Å; S25-F27 PolarHBondContact OG-O 3.29Å; S25-K276 PolarHBondContact O-NZ 2.89Å
26F86.9Confident86.7Confident1 Ų162 Ų620%0.00436%0.36CS..SBendtrans-65.3-41.5168-175.9-101.4000111.2N9 Y10 P11 Y14 K276 I375 M399 L422 L441N9-F26 WeakPolarHBondContact O-CB 3.48Å; N9-F26 PolarHBondContact O-N 2.66Å; Y10-F26 HydrophobicContact CD1-CB 3.66Å; Y10-F26 AromaticContact CD1-CD2 3.91Å; Y10-F26 HydrophobicContact CD1-CD2 3.91Å; Y10-F26 HydrophobicContact CD1-CG 4.29Å; Y10-F26 HydrophobicContact CE1-CB 4.07Å; Y10-F26 HydrophobicContact CE1-CD2 4.35Å; Y10-F26 HydrophobicContact CG-CB 4.14Å; P11-F26 HydrophobicContact CG-CD1 4.43Å; P11-F26 HydrophobicContact CG-CD2 4.49Å; P11-F26 HydrophobicContact CG-CG 4.35Å; Y14-F26 HydrophobicContact CD2-CD2 4.34Å; Y14-F26 AromaticContact CD2-CE2 3.95Å; Y14-F26 HydrophobicContact CD2-CE2 3.95Å; Y14-F26 HydrophobicContact CE2-CE2 4.19Å; Y14-F26 HydrophobicContact CG-CD2 4.39Å; Y14-F26 HydrophobicContact CG-CE2 4.4Å; F26-K276 PolarHBondContact O-NZ 2.72Å; F26-I375 HydrophobicContact CB-CD1 3.87Å; F26-I375 HydrophobicContact CD1-CD1 4.27Å; F26-I375 HydrophobicContact CG-CD1 4.31Å; F26-M399 HydrophobicContact CE2-CE 4.5Å; F26-M399 HydrophobicContact CZ-CE 4.3Å; F26-L422 HydrophobicContact CD1-CD2 4.44Å; F26-L422 HydrophobicContact CE1-CD2 3.56Å; F26-L422 HydrophobicContact CE2-CD2 3.68Å; F26-L422 HydrophobicContact CZ-CD2 3.12Å; F26-L441 HydrophobicContact CE1-CB 4.3Å; F26-L441 HydrophobicContact CE1-CD2 4.37Å; F26-L441 HydrophobicContact CE2-CD1 4.32Å; F26-L441 HydrophobicContact CZ-CD1 4.26Å; F26-L441 HydrophobicContact CZ-CD2 3.97Å; F26-L441 HydrophobicContact CZ-CG 4.5Å; F26-L441 WeakPolarHBondContact O-CB 3.42Å
27F90.3Very high87Confident19 Ų1958.1 Ų58.18%0.08335%0.347CS..SBendtrans-64.2135.6176.5-61.5-97000110.7N9 S25 L31 L370 G373 I375 L441 G442N9-F27 WeakPolarHBondContact ND2-CD2 3.22Å; S25-F27 VanDerWaalsContact C-N 3.33Å; S25-F27 PolarHBondContact OG-N 2.95Å; S25-F27 VanDerWaalsContact OG-N 3.13Å; S25-F27 PolarHBondContact OG-O 3.29Å; F27-L31 HydrophobicContact CB-CD1 4.28Å; F27-L31 HydrophobicContact CD1-CD1 4.5Å; F27-L370 HydrophobicContact CZ-CD2 4.37Å; F27-G373 VanDerWaalsContact CE2-C 3.43Å; F27-G373 VanDerWaalsContact CE2-O 3.25Å; F27-G373 WeakPolarHBondContact CE2-O 3.25Å; F27-I375 HydrophobicContact CE2-CD1 3.84Å; F27-I375 HydrophobicContact CE2-CG1 3.75Å; F27-I375 HydrophobicContact CZ-CD1 4.49Å; F27-I375 HydrophobicContact CZ-CG1 4.04Å; F27-L441 WeakPolarHBondContact CA-O 3.44Å; F27-G442 VanDerWaalsContact CD1-CA 3.45Å
28S90.6Very high87Confident6 Ų660.3 Ų60.34%0.04237%0.365CS..  trans-65.9141.5178.7-166.10000111.4Y30 L31 E274 L441S28-Y30 PolarHBondContact O-N 3.21Å; S28-Y30 PolarHBondContact OG-N 2.85Å; S28-L31 WeakPolarHBondContact O-CD1 3.38Å; S28-L31 WeakPolarHBondContact O-CG 3.49Å; S28-E274 VanDerWaalsContact CA-OE1 3.28Å; S28-E274 WeakPolarHBondContact CA-OE1 3.35Å; S28-E274 WeakPolarHBondContact CB-OE1 3.3Å; S28-E274 PolarHBondContact OG-OE1 3.22Å; S28-L441 PolarHBondContact N-O 3.29Å
29S88.9Confident87.1Confident101 Ų10162.6 Ų62.671%0.70638%0.378SS*.THydrogen-bonded Turntrans-70.3-10.6169.148.90000113.1
30Y91Very high87.4Confident66 Ų6658.9 Ų58.926%0.25937%0.369SS..THydrogen-bonded Turntrans-98.311.5-174.4-59.7-83.7000113.9S28 N32 Q33 Q34 S48 M49S28-Y30 PolarHBondContact O-N 3.21Å; S28-Y30 PolarHBondContact OG-N 2.85Å; Y30-N32 PolarHBondContact O-N 3.01Å; Y30-N32 VanDerWaalsContact O-N 3.14Å; Y30-Q33 CarbonylContact O-C 3.53Å; Y30-Q33 VanDerWaalsContact O-C 3.23Å; Y30-Q33 PolarHBondContact O-N 3.33Å; Y30-Q33 VanDerWaalsContact O-N 3.08Å; Y30-Q34 WeakPolarHBondContact O-CG 3.21Å; Y30-Q34 PolarHBondContact O-N 3.38Å; Y30-S48 WeakPolarHBondContact CE1-O 3.32Å; Y30-M49 HydrophobicContact CD1-CG 4.16Å; Y30-M49 HydrophobicContact CD2-CE 3.74Å; Y30-M49 HydrophobicContact CD2-CG 3.62Å; Y30-M49 HydrophobicContact CD2-SD 4.26Å; Y30-M49 HydrophobicContact CE1-CG 4.26Å; Y30-M49 HydrophobicContact CE2-CB 4.41Å; Y30-M49 HydrophobicContact CE2-CG 3.73Å; Y30-M49 HydrophobicContact CG-CE 4.08Å; Y30-M49 HydrophobicContact CG-CG 3.84Å
31L90.7Very high87.9Confident42 Ų4266 Ų6622%0.2240%0.397CS..THydrogen-bonded Turntrans-52.1-38.6-178.1-77.9164.4000113.7F27 S28 Q34 V440F27-L31 HydrophobicContact CB-CD1 4.28Å; F27-L31 HydrophobicContact CD1-CD1 4.5Å; S28-L31 WeakPolarHBondContact O-CD1 3.38Å; S28-L31 WeakPolarHBondContact O-CG 3.49Å; L31-Q34 PolarHBondContact O-NE2 3.05Å; L31-Q34 VanDerWaalsContact O-NE2 3.08Å; L31-V440 HydrophobicContact CD2-CG2 3.58Å; L31-V440 HydrophobicContact CG-CG2 4.16Å
32N91Very high88.7Confident138 Ų13865.2 Ų65.274%0.73839%0.389SS*.THydrogen-bonded Turntrans-100.30.3-177.2-58.5-42.8000113.7Y30Y30-N32 PolarHBondContact O-N 3.01Å; Y30-N32 VanDerWaalsContact O-N 3.14Å
33Q91.6Very high89.8Confident119 Ų11959.4 Ų59.456%0.55635%0.354SS*.  trans-149.476.3-179.9-169.7179.94.800108.4Y30 V36 S48Y30-Q33 CarbonylContact O-C 3.53Å; Y30-Q33 VanDerWaalsContact O-C 3.23Å; Y30-Q33 PolarHBondContact O-N 3.33Å; Y30-Q33 VanDerWaalsContact O-N 3.08Å; Q33-V36 HydrophobicContact CG-CG1 4.01Å; Q33-S48 WeakPolarHBondContact O-CB 3.48Å; Q33-S48 PolarHBondContact O-OG 3.32Å
34Q94.2Very high91.1Very high1 Ų155.6 Ų55.61%0.00531%0.314CS..  trans-84.6-53.6-170.4-71.1-169.736.500111.1Y30 L31 S48 V440 E443 A451 E517 A519Y30-Q34 WeakPolarHBondContact O-CG 3.21Å; Y30-Q34 PolarHBondContact O-N 3.38Å; L31-Q34 PolarHBondContact O-NE2 3.05Å; L31-Q34 VanDerWaalsContact O-NE2 3.08Å; Q34-S48 WeakPolarHBondContact O-CB 3.15Å; Q34-S48 PolarHBondContact O-N 3.07Å; Q34-S48 VanDerWaalsContact O-N 3.08Å; Q34-S48 PolarHBondContact O-OG 3.23Å; Q34-V440 HydrophobicContact CG-CG1 4.29Å; Q34-V440 HydrophobicContact CG-CG2 4.36Å; Q34-E443 PolarHBondContact NE2-OE2 3.26Å; Q34-A451 HydrophobicContact CB-CB 3.69Å; Q34-A451 HydrophobicContact CG-CB 4.3Å; Q34-A451 VanDerWaalsContact OE1-N 3.14Å; Q34-E517 WeakPolarHBondContact CB-O 3.46Å; Q34-E517 PolarHBondContact N-O 3.07Å; Q34-A519 VanDerWaalsContact OE1-CB 3.27Å
35S95.5Very high92.1Very high4 Ų456.7 Ų56.73%0.02831%0.313CS..EExtended strand (participates in β ladder)trans-133.1128.4177.8-35.20000111.4R45 Q46 S48 I452 G518S35-R45 PolarHBondContact O-NH1 3.09Å; S35-Q46 CarbonylContact C-O 3.59Å; S35-Q46 VanDerWaalsContact CA-O 3.26Å; S35-Q46 WeakPolarHBondContact CA-O 3.5Å; S35-Q46 WeakPolarHBondContact CB-O 3.41Å; S35-S48 PolarHBondContact N-OG 3.03Å; S35-I452 WeakPolarHBondContact OG-CG1 3.26Å; S35-I452 PolarHBondContact OG-N 3.46Å; S35-G518 WeakPolarHBondContact CB-O 3.28Å; S35-G518 PolarHBondContact N-O 3.15Å; S35-G518 PolarHBondContact OG-O 3.3Å
36V94.5Very high92.6Very high52 Ų5258.3 Ų58.332%0.31532%0.315SS..EExtended strand (participates in β ladder)trans-100.5149.3-178.2-740000111.4Q33 A38 R45 Q46 S48Q33-V36 HydrophobicContact CG-CG1 4.01Å; V36-A38 PolarHBondContact O-N 3Å; V36-R45 CarbonylContact O-C 3.6Å; V36-R45 WeakPolarHBondContact O-CA 3.41Å; V36-R45 WeakPolarHBondContact O-CB 3.35Å; V36-Q46 PolarHBondContact N-O 3.2Å; V36-Q46 PolarHBondContact O-N 3.27Å; V36-S48 WeakPolarHBondContact CG1-OG 3.39Å
37I95.2Very high92.9Very high91 Ų9158.9 Ų58.947%0.46732%0.32SS..EExtended strand (participates in β ladder)trans-70.2116174-60.4172.2000108.4P40 A44 R45I37-P40 HydrophobicContact CG2-CG 4.36Å; I37-A44 CarbonylContact C-O 3.55Å; I37-R45 HydrophobicContact CG1-CG 4.1Å
38A93.5Very high92.9Very high49 Ų4958.7 Ų58.741%0.40532%0.321SS..EExtended strand (participates in β ladder)trans-88.8-33.2175.800000111.7V36 A44 Q46V36-A38 PolarHBondContact O-N 3Å; A38-A44 PolarHBondContact N-O 3.46Å; A38-Q46 HydrophobicContact CB-CB 4.28Å; A38-Q46 HydrophobicContact CB-CG 3.74Å
39D94.2Very high92.6Very high56 Ų5658.9 Ų58.930%0.29932%0.321SS..EExtended strand (participates in β ladder)trans-130.7107.6174.3175.912.5000110.9K41 T42 G43 A44D39-K41 PolarHBondContact O-N 3.3Å; D39-K41 WeakPolarHBondContact OD1-CB 3.46Å; D39-K41 PolarHBondContact OD1-N 2.71Å; D39-T42 WeakPolarHBondContact CB-OG1 3.18Å; D39-T42 VanDerWaalsContact CG-OG1 3.25Å; D39-T42 PolarHBondContact O-N 3.49Å; D39-T42 WeakPolarHBondContact OD2-CB 3.4Å; D39-T42 VanDerWaalsContact OD2-CG2 3.26Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.16Å; D39-T42 PolarHBondContact OD2-OG1 3.4Å; D39-G43 WeakPolarHBondContact O-CA 3.49Å; D39-G43 PolarHBondContact O-N 2.99Å; D39-A44 HydrophobicContact CB-CB 4.27Å; D39-A44 PolarHBondContact N-O 2.74Å; D39-A44 PolarHBondContact O-N 3.46Å
40P90.9Very high91.5Very high107 Ų10760.2 Ų60.270%0.69532%0.324SS*.THydrogen-bonded Turntrans-62.8-22.7178.2-2434.5000114.8I37I37-P40 HydrophobicContact CG2-CG 4.36Å
41K91Very high90.2Very high184 Ų18460.1 Ų60.180%0.833%0.328SS*.THydrogen-bonded Turntrans-74.9-41.8-178.5-66.4-178.1179.4178.20111.9D39D39-K41 PolarHBondContact O-N 3.3Å; D39-K41 WeakPolarHBondContact OD1-CB 3.46Å; D39-K41 PolarHBondContact OD1-N 2.71Å
42T90.2Very high88.5Confident55 Ų5564.1 Ų64.134%0.33735%0.354SS..THydrogen-bonded Turntrans-95.3-13.318057.10000112.5D39 A44D39-T42 WeakPolarHBondContact CB-OG1 3.18Å; D39-T42 VanDerWaalsContact CG-OG1 3.25Å; D39-T42 PolarHBondContact O-N 3.49Å; D39-T42 WeakPolarHBondContact OD2-CB 3.4Å; D39-T42 VanDerWaalsContact OD2-CG2 3.26Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.16Å; D39-T42 PolarHBondContact OD2-OG1 3.4Å; T42-A44 PolarHBondContact O-N 2.79Å; T42-A44 WeakPolarHBondContact OG1-CB 3.36Å; T42-A44 PolarHBondContact OG1-N 3.33Å
43G94.6Very high86.7Confident12 Ų1264.4 Ų64.412%0.12436%0.356CS..THydrogen-bonded Turntrans69.412.7-169.800000113.1D39 R45D39-G43 WeakPolarHBondContact O-CA 3.49Å; D39-G43 PolarHBondContact O-N 2.99Å; G43-R45 PolarHBondContact O-N 2.77Å
44A96.7Very high85.1Confident2 Ų264.7 Ų64.72%0.01736%0.361CS..EExtended strand (participates in β ladder)trans-61.3135.7178.800000110.4I37 A38 D39 T42 K459 W505I37-A44 CarbonylContact C-O 3.55Å; A38-A44 PolarHBondContact N-O 3.46Å; D39-A44 HydrophobicContact CB-CB 4.27Å; D39-A44 PolarHBondContact N-O 2.74Å; D39-A44 PolarHBondContact O-N 3.46Å; T42-A44 PolarHBondContact O-N 2.79Å; T42-A44 WeakPolarHBondContact OG1-CB 3.36Å; T42-A44 PolarHBondContact OG1-N 3.33Å; A44-K459 HydrophobicContact CB-CB 4.05Å; A44-W505 HydrophobicContact CB-CH2 3.89Å; A44-W505 HydrophobicContact CB-CZ2 4.39Å
45R97.5Very high83.7Confident41 Ų4169.9 Ų69.916%0.15539%0.386CS..EExtended strand (participates in β ladder)trans-117.4154.9-178.3-67.2-172-176-122.24.4111.5S35 V36 I37 G43 I452 E457 V458 W514S35-R45 PolarHBondContact O-NH1 3.09Å; V36-R45 CarbonylContact O-C 3.6Å; V36-R45 WeakPolarHBondContact O-CA 3.41Å; V36-R45 WeakPolarHBondContact O-CB 3.35Å; I37-R45 HydrophobicContact CG1-CG 4.1Å; G43-R45 PolarHBondContact O-N 2.77Å; R45-I452 VanDerWaalsContact C-CD1 3.49Å; R45-I452 HydrophobicContact CB-CD1 3.38Å; R45-I452 WeakPolarHBondContact O-CD1 3.49Å; R45-E457 WeakPolarHBondContact O-CA 3.39Å; R45-V458 PolarHBondContact N-O 3.44Å; R45-V458 PolarHBondContact O-N 3.49Å; R45-W514 HydrophobicContact CB-CH2 4.33Å; R45-W514 HydrophobicContact CB-CZ2 4.26Å; R45-W514 HydrophobicContact CG-CZ2 4.22Å
46Q95.5Very high82.9Confident78 Ų7870.9 Ų70.936%0.36439%0.389SS..EExtended strand (participates in β ladder)trans-131.6167172.8-69.7179.7-11.100109.7S35 V36 A38 E457S35-Q46 CarbonylContact C-O 3.59Å; S35-Q46 VanDerWaalsContact CA-O 3.26Å; S35-Q46 WeakPolarHBondContact CA-O 3.5Å; S35-Q46 WeakPolarHBondContact CB-O 3.41Å; V36-Q46 PolarHBondContact N-O 3.2Å; V36-Q46 PolarHBondContact O-N 3.27Å; A38-Q46 HydrophobicContact CB-CB 4.28Å; A38-Q46 HydrophobicContact CB-CG 3.74Å; Q46-E457 HydrophobicContact CG-CB 4.49Å; Q46-E457 HydrophobicContact CG-CG 3.65Å; Q46-E457 VanDerWaalsContact NE2-CG 3.26Å; Q46-E457 PolarHBondContact NE2-OE1 2.9Å
47S93.4Very high82.2Confident14 Ų1471.8 Ų71.810%0.09840%0.397CS..EExtended strand (participates in β ladder)trans-58.6138.3173.6-161.10000111.3M49 I452S47-M49 PolarHBondContact OG-N 3.34Å; S47-I452 WeakPolarHBondContact CB-O 3.46Å; S47-I452 PolarHBondContact OG-O 3.13Å
48S90.3Very high81.8Confident15 Ų1572.2 Ų72.211%0.10540%0.398CS..SBendtrans-76-16.1170.1-46.10000112.1Y30 Q33 Q34 S35 V36 V50Y30-S48 WeakPolarHBondContact CE1-O 3.32Å; Q33-S48 WeakPolarHBondContact O-CB 3.48Å; Q33-S48 PolarHBondContact O-OG 3.32Å; Q34-S48 WeakPolarHBondContact O-CB 3.15Å; Q34-S48 PolarHBondContact O-N 3.07Å; Q34-S48 VanDerWaalsContact O-N 3.08Å; Q34-S48 PolarHBondContact O-OG 3.23Å; S35-S48 PolarHBondContact N-OG 3.03Å; V36-S48 WeakPolarHBondContact CG1-OG 3.39Å; S48-V50 PolarHBondContact O-N 2.93Å
49M84.2Confident81.9Confident10 Ų1070.3 Ų70.35%0.04938%0.381CS..  trans-72.791.1175.4-58.9-174.6-177.600108.7Y30 S47 V440Y30-M49 HydrophobicContact CD1-CG 4.16Å; Y30-M49 HydrophobicContact CD2-CE 3.74Å; Y30-M49 HydrophobicContact CD2-CG 3.62Å; Y30-M49 HydrophobicContact CD2-SD 4.26Å; Y30-M49 HydrophobicContact CE1-CG 4.26Å; Y30-M49 HydrophobicContact CE2-CB 4.41Å; Y30-M49 HydrophobicContact CE2-CG 3.73Å; Y30-M49 HydrophobicContact CG-CE 4.08Å; Y30-M49 HydrophobicContact CG-CG 3.84Å; S47-M49 PolarHBondContact OG-N 3.34Å; M49-V440 HydrophobicContact CE-CB 4.3Å; M49-V440 HydrophobicContact CE-CG1 3.56Å
50V66.6Low81.9Confident128 Ų12872.4 Ų72.478%0.77639%0.387SS*.  trans-82.3118.5169-175.20000107.5S48S48-V50 PolarHBondContact O-N 2.93Å
51L63.6Low82.3Confident64 Ų6467.6 Ų67.634%0.33536%0.356SS..  trans-108.4151.8-172.7-67.6154.3000110.4D53 E271L51-D53 PolarHBondContact O-N 3.43Å; L51-D53 VanDerWaalsContact O-N 3.13Å; L51-E271 HydrophobicContact CD1-CB 3.36Å; L51-E271 VanDerWaalsContact CD1-CD 3.42Å; L51-E271 HydrophobicContact CD1-CG 3.45Å; L51-E271 VanDerWaalsContact CD1-CG 3.45Å; L51-E271 VanDerWaalsContact CD1-OE2 3.23Å; L51-E271 WeakPolarHBondContact CD1-OE2 3.35Å
52T54.6Low82.6Confident126 Ų12658.9 Ų58.977%0.77332%0.318SS*.  trans-67.1111.1176.351.70000108.5N54T52-N54 PolarHBondContact O-N 3.5Å
53D53.6Low83Confident144 Ų14457.3 Ų57.377%0.7731%0.307SS*.THydrogen-bonded Turntrans-53.31.7-167.5-91.2-32.6000118.2L51L51-D53 PolarHBondContact O-N 3.43Å; L51-D53 VanDerWaalsContact O-N 3.13Å
54N57.1Low83.2Confident126 Ų12659 Ų5967%0.67431%0.314SS*.THydrogen-bonded Turntrans-117.7-12.4-161-80.2-14.2000117.7T52 Y56T52-N54 PolarHBondContact O-N 3.5Å; N54-Y56 VanDerWaalsContact C-N 3.31Å; N54-Y56 PolarHBondContact O-N 3.48Å
55E65.7Low83.2Confident110 Ų11059 Ų5951%0.51431%0.313SS..SBendtrans-72.1-26.5-171.7-149.6-160.6153.500113.5R68E55-R68 IonicContact OE1-NH2 2.67Å
56Y77.7Confident83.3Confident24 Ų2457 Ų579%0.09431%0.306CS..SBendtrans-122.28.1-172.8-46.5-39.6000113.6N54 E58 V59 C267 E271 F304N54-Y56 VanDerWaalsContact C-N 3.31Å; N54-Y56 PolarHBondContact O-N 3.48Å; Y56-E58 PolarHBondContact O-N 3.17Å; Y56-V59 PolarHBondContact O-N 2.68Å; Y56-C267 HydrophobicContact CD2-CB 4.08Å; Y56-E271 HydrophobicContact CD2-CG 4.39Å; Y56-E271 WeakPolarHBondContact CD2-OE1 3.39Å; Y56-E271 HydrophobicContact CE2-CG 3.88Å; Y56-F304 HydrophobicContact CD1-CE1 4.05Å; Y56-F304 HydrophobicContact CD1-CE2 4.42Å; Y56-F304 AromaticContact CD1-CZ 3.39Å; Y56-F304 HydrophobicContact CD1-CZ 3.39Å; Y56-F304 HydrophobicContact CD2-CZ 4.37Å; Y56-F304 AromaticContact CE1-CE1 3.92Å; Y56-F304 HydrophobicContact CE1-CE1 3.92Å; Y56-F304 AromaticContact CE1-CZ 3.75Å; Y56-F304 HydrophobicContact CE1-CZ 3.75Å; Y56-F304 AromaticContact CG-CZ 3.77Å; Y56-F304 HydrophobicContact CG-CZ 3.77Å
57S79.5Confident83.4Confident71 Ų7156.2 Ų56.250%0.49730%0.302SS..THydrogen-bonded Turntrans-63-23.3-174.667.60000113.6V59S57-V59 VanDerWaalsContact C-N 3.33Å
58E87.8Confident83.6Confident100 Ų10057.8 Ų57.847%0.46731%0.306SS..THydrogen-bonded Turntrans-76.1-17.7174.772.8-86-175.800114.1Y56 K60 R68Y56-E58 PolarHBondContact O-N 3.17Å; E58-K60 PolarHBondContact O-N 3.17Å; E58-R68 IonicContact OE1-NH1 2.68Å; E58-R68 PolarHBondContact OE1-NH1 3.21Å
59V94.6Very high83.9Confident9 Ų957 Ų576%0.05530%0.301CS..  trans-91.3105.1-178-174.50000108.9Y56 S57 D64 L65 R68 V263 F304Y56-V59 PolarHBondContact O-N 2.68Å; S57-V59 VanDerWaalsContact C-N 3.33Å; V59-D64 HydrophobicContact CG1-CB 4.15Å; V59-L65 HydrophobicContact CG1-CB 3.85Å; V59-R68 HydrophobicContact CG2-CB 4.37Å; V59-V263 HydrophobicContact CB-CG1 4.48Å; V59-V263 HydrophobicContact CG1-CG1 3.88Å; V59-V263 HydrophobicContact CG1-CG2 4.49Å; V59-V263 WeakPolarHBondContact O-CG1 3.45Å; V59-F304 HydrophobicContact CB-CE2 4.35Å; V59-F304 HydrophobicContact CG1-CE2 4.27Å; V59-F304 HydrophobicContact CG2-CE2 3.94Å
60K95.5Very high84.6Confident100 Ų10057 Ų5744%0.43530%0.3SS..  trans-115.4-29-174.1-77.3166.3163.5-1090112.1E58 D64 E236E58-K60 PolarHBondContact O-N 3.17Å; K60-D64 PolarHBondContact N-OD2 3.26Å; K60-E236 HydrophobicContact CB-CG 3.63Å; K60-E236 VanDerWaalsContact CD-OE1 3.27Å; K60-E236 WeakPolarHBondContact CD-OE1 3.42Å; K60-E236 WeakPolarHBondContact CE-OE1 3.47Å; K60-E236 HydrophobicContact CG-CG 4.19Å; K60-E236 WeakPolarHBondContact CG-OE1 3.45Å; K60-E236 IonicContact NZ-OE1 3.79Å; K60-E236 PolarHBondContact NZ-OE1 2.91Å
61T98.4Very high86.1Confident7 Ų754.9 Ų54.94%0.04329%0.291CS..SBendtrans-128.1166.2-17970.30000111.9M63 D64 L65 P234 H259 V263T61-M63 PolarHBondContact O-N 3.41Å; T61-M63 PolarHBondContact OG1-N 3.29Å; T61-D64 WeakPolarHBondContact CB-OD2 3.35Å; T61-D64 PolarHBondContact N-OD2 2.67Å; T61-D64 PolarHBondContact O-N 3.5Å; T61-D64 VanDerWaalsContact O-N 3.17Å; T61-D64 PolarHBondContact OG1-N 3.44Å; T61-D64 PolarHBondContact OG1-OD2 2.84Å; T61-L65 PolarHBondContact O-N 3.42Å; T61-P234 HydrophobicContact CG2-CG 4.13Å; T61-H259 HydrophobicContact CG2-CB 4.41Å; T61-V263 VanDerWaalsContact C-CG2 3.42Å
62M98.4Very high87.7Confident0 Ų055.2 Ų55.20%029%0.293CS..Hα-helixtrans-67.4-22.1174.4-64.7-55.7-64.400112.2L65 F66 F140 H259 L262 V263 I266 S300M62-L65 HydrophobicContact CE-CD1 4.1Å; M62-L65 HydrophobicContact CE-CD2 4.15Å; M62-L65 HydrophobicContact SD-CD1 4.28Å; M62-F66 PolarHBondContact O-N 3.16Å; M62-F66 VanDerWaalsContact O-N 3.16Å; M62-F140 HydrophobicContact CB-CB 4.06Å; M62-F140 HydrophobicContact CB-CD2 3.43Å; M62-F140 VanDerWaalsContact CB-CD2 3.43Å; M62-F140 HydrophobicContact CB-CE2 3.94Å; M62-F140 HydrophobicContact CB-CG 3.85Å; M62-F140 HydrophobicContact CE-CE2 4.18Å; M62-F140 HydrophobicContact CG-CD2 4.07Å; M62-F140 HydrophobicContact CG-CE2 4.08Å; M62-H259 PolarHBondContact N-ND1 2.82Å; M62-L262 HydrophobicContact CE-CD2 3.71Å; M62-L262 HydrophobicContact CE-CG 4.12Å; M62-L262 HydrophobicContact CG-CD2 4.15Å; M62-L262 HydrophobicContact SD-CB 3.99Å; M62-L262 HydrophobicContact SD-CD2 3.66Å; M62-L262 HydrophobicContact SD-CG 3.67Å; M62-V263 HydrophobicContact CG-CG2 4.47Å; M62-V263 HydrophobicContact SD-CG2 3.77Å; M62-I266 HydrophobicContact CE-CD1 3.86Å; M62-I266 HydrophobicContact SD-CD1 3.99Å; M62-S300 WeakPolarHBondContact CE-OG 3.5Å
63M98.2Very high89.8Confident22 Ų2249.2 Ų49.211%0.10826%0.256CS..Hα-helixtrans-67.7-47.7169.7174.5173.4162.700110.7T61 L65 F66 H67 C141 K231 P233T61-M63 PolarHBondContact O-N 3.41Å; T61-M63 PolarHBondContact OG1-N 3.29Å; M63-L65 VanDerWaalsContact C-N 3.26Å; M63-L65 PolarHBondContact O-N 3.16Å; M63-F66 PolarHBondContact O-N 3.32Å; M63-H67 WeakPolarHBondContact CE-CE1 3.31Å; M63-H67 PolarHBondContact O-CD2 2.79Å; M63-H67 PolarHBondContact O-N 2.75Å; M63-C141 HydrophobicContact CG-CB 4.47Å; M63-C141 HydrophobicContact SD-CB 4.26Å; M63-K231 HydrophobicContact CE-CB 4.09Å; M63-K231 HydrophobicContact CE-CD 3.92Å; M63-P233 HydrophobicContact CE-CB 4.22Å; M63-P233 HydrophobicContact SD-CB 3.87Å
64D98.3Very high91.9Very high49 Ų4948.7 Ų48.726%0.26224%0.244SC..Hα-helixtrans-60.4-39.3176.2-53.3-43.3000111.2V59 K60 T61 F66 H67 R68V59-D64 HydrophobicContact CG1-CB 4.15Å; K60-D64 PolarHBondContact N-OD2 3.26Å; T61-D64 WeakPolarHBondContact CB-OD2 3.35Å; T61-D64 PolarHBondContact N-OD2 2.67Å; T61-D64 PolarHBondContact O-N 3.5Å; T61-D64 VanDerWaalsContact O-N 3.17Å; T61-D64 PolarHBondContact OG1-N 3.44Å; T61-D64 PolarHBondContact OG1-OD2 2.84Å; D64-F66 PolarHBondContact O-N 2.97Å; D64-H67 PolarHBondContact O-N 2.86Å; D64-R68 WeakPolarHBondContact O-CB 3.27Å; D64-R68 PolarHBondContact O-N 3.18Å
65L97.9Very high93.9Very high0 Ų047.8 Ų47.80%024%0.242CC..Hα-helixtrans-59.9-46.5176.8178.6146000111.8V59 T61 M62 M63 R68 G69 Y137 I266 V303 F304V59-L65 HydrophobicContact CG1-CB 3.85Å; T61-L65 PolarHBondContact O-N 3.42Å; M62-L65 HydrophobicContact CE-CD1 4.1Å; M62-L65 HydrophobicContact CE-CD2 4.15Å; M62-L65 HydrophobicContact SD-CD1 4.28Å; M63-L65 VanDerWaalsContact C-N 3.26Å; M63-L65 PolarHBondContact O-N 3.16Å; L65-R68 PolarHBondContact O-N 3.41Å; L65-G69 PolarHBondContact O-N 3.14Å; L65-Y137 HydrophobicContact CD2-CE1 4.19Å; L65-Y137 WeakPolarHBondContact CD2-OH 3.5Å; L65-I266 HydrophobicContact CD1-CB 4.18Å; L65-I266 HydrophobicContact CD1-CD1 3.54Å; L65-I266 HydrophobicContact CD1-CG1 4.4Å; L65-I266 HydrophobicContact CD1-CG2 3.83Å; L65-V303 HydrophobicContact CD2-CB 4.3Å; L65-V303 HydrophobicContact CD2-CG1 4.01Å; L65-F304 HydrophobicContact CD1-CB 4.08Å; L65-F304 HydrophobicContact CD1-CD2 3.97Å; L65-F304 HydrophobicContact CD1-CG 4.46Å; L65-F304 HydrophobicContact CD2-CB 4.34Å; L65-F304 HydrophobicContact CG-CB 3.95Å; L65-F304 HydrophobicContact CG-CD2 3.92Å; L65-F304 HydrophobicContact CG-CG 4.45Å
66F98.5Very high95.5Very high0 Ų045.6 Ų45.60%023%0.229CC..Hα-helixtrans-65.6-41.3175.6-177.6-104000111.4M62 M63 D64 R68 G69 L70 Y94 V97 D98 I101 F133 Y137 V303M62-F66 PolarHBondContact O-N 3.16Å; M62-F66 VanDerWaalsContact O-N 3.16Å; M63-F66 PolarHBondContact O-N 3.32Å; D64-F66 PolarHBondContact O-N 2.97Å; F66-R68 VanDerWaalsContact C-N 3.31Å; F66-R68 PolarHBondContact O-N 3.5Å; F66-G69 PolarHBondContact O-N 2.74Å; F66-L70 HydrophobicContact CE1-CD2 4.47Å; F66-L70 WeakPolarHBondContact O-CB 3.45Å; F66-L70 PolarHBondContact O-N 3.16Å; F66-Y94 HydrophobicContact CE2-CD1 4.16Å; F66-Y94 HydrophobicContact CE2-CE1 4.45Å; F66-Y94 HydrophobicContact CZ-CD1 4.43Å; F66-V97 HydrophobicContact CE2-CG1 3.78Å; F66-V97 HydrophobicContact CZ-CB 4.15Å; F66-V97 HydrophobicContact CZ-CG1 3.65Å; F66-D98 HydrophobicContact CE1-CB 3.84Å; F66-D98 HydrophobicContact CZ-CB 4.3Å; F66-I101 HydrophobicContact CD1-CD1 3.98Å; F66-I101 HydrophobicContact CD2-CD1 4.35Å; F66-I101 HydrophobicContact CE1-CD1 3.59Å; F66-I101 HydrophobicContact CE2-CD1 3.99Å; F66-I101 HydrophobicContact CG-CD1 4.37Å; F66-I101 HydrophobicContact CZ-CD1 3.61Å; F66-F133 HydrophobicContact CD2-CE1 4.45Å; F66-F133 HydrophobicContact CE2-CE1 4.24Å; F66-Y137 HydrophobicContact CB-CD1 3.62Å; F66-Y137 HydrophobicContact CB-CE1 3.68Å; F66-Y137 HydrophobicContact CD2-CD1 4.03Å; F66-Y137 HydrophobicContact CD2-CE1 4.24Å; F66-Y137 AromaticContact CG-CD1 3.97Å; F66-Y137 HydrophobicContact CG-CD1 3.97Å; F66-Y137 HydrophobicContact CG-CE1 4.31Å; F66-V303 HydrophobicContact CD2-CG1 3.74Å; F66-V303 HydrophobicContact CE2-CG1 4.47Å
67H97.9Very high96.5Very high61 Ų6149 Ų4928%0.28225%0.245SC..Hα-helixtrans-63.5-36.1178.1-74.1-174.3000112.6M63 D64 L70 S71M63-H67 WeakPolarHBondContact CE-CE1 3.31Å; M63-H67 PolarHBondContact O-CD2 2.79Å; M63-H67 PolarHBondContact O-N 2.75Å; D64-H67 PolarHBondContact O-N 2.86Å; H67-L70 PolarHBondContact O-N 2.95Å; H67-S71 WeakPolarHBondContact O-CB 3.45Å; H67-S71 PolarHBondContact O-N 2.91Å
68R96.9Very high97.4Very high47 Ų4745.6 Ų45.618%0.17722%0.221CC..Hα-helixtrans-59.8-52.4170.6-178.5176.3174.486.10.4110.5E55 E58 V59 D64 L65 F66 L70 S71 L72E55-R68 IonicContact OE1-NH2 2.67Å; E58-R68 IonicContact OE1-NH1 2.68Å; E58-R68 PolarHBondContact OE1-NH1 3.21Å; V59-R68 HydrophobicContact CG2-CB 4.37Å; D64-R68 WeakPolarHBondContact O-CB 3.27Å; D64-R68 PolarHBondContact O-N 3.18Å; L65-R68 PolarHBondContact O-N 3.41Å; F66-R68 VanDerWaalsContact C-N 3.31Å; F66-R68 PolarHBondContact O-N 3.5Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.38Å; R68-S71 WeakPolarHBondContact O-CB 3.33Å; R68-S71 PolarHBondContact O-N 3.38Å; R68-S71 VanDerWaalsContact O-N 3.08Å; R68-S71 PolarHBondContact O-OG 2.95Å; R68-L72 HydrophobicContact CG-CD1 4.36Å; R68-L72 WeakPolarHBondContact O-CG 3.4Å; R68-L72 PolarHBondContact O-N 3.33Å; R68-L72 VanDerWaalsContact O-N 3.09Å
69G98Very high97.9Very high0 Ų040.9 Ų40.90%020%0.199CC..Hα-helixtrans-54.9-45.617500000113.4L65 F66 S71 L72 S73 V303L65-G69 PolarHBondContact O-N 3.14Å; F66-G69 PolarHBondContact O-N 2.74Å; G69-S71 PolarHBondContact O-N 2.94Å; G69-L72 PolarHBondContact O-N 2.95Å; G69-S73 PolarHBondContact O-N 3.03Å; G69-V303 WeakPolarHBondContact CA-O 3.2Å
70L98.5Very high98.1Very high9 Ų940.5 Ų40.55%0.04720%0.197CC..Hα-helixtrans-60.1-41.6175.2178.466.3000111.7F66 H67 R68 L72 S73 R74 Y94 D98F66-L70 HydrophobicContact CE1-CD2 4.47Å; F66-L70 WeakPolarHBondContact O-CB 3.45Å; F66-L70 PolarHBondContact O-N 3.16Å; H67-L70 PolarHBondContact O-N 2.95Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.38Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.79Å; L70-S73 PolarHBondContact O-N 3.25Å; L70-R74 HydrophobicContact CD1-CB 4.39Å; L70-R74 HydrophobicContact CD1-CG 4.11Å; L70-R74 WeakPolarHBondContact O-CA 3.36Å; L70-R74 VanDerWaalsContact O-CB 3.24Å; L70-R74 WeakPolarHBondContact O-CB 3.46Å; L70-R74 PolarHBondContact O-N 3.43Å; L70-Y94 HydrophobicContact CB-CD1 4.41Å; L70-D98 HydrophobicContact CD1-CB 4.26Å; L70-D98 HydrophobicContact CD2-CB 4.05Å
71S97.9Very high98.2Very high84 Ų8437.9 Ų37.959%0.58719%0.191SC*.Hα-helixtrans-64.6-37.917878.30000112.2H67 R68 G69H67-S71 WeakPolarHBondContact O-CB 3.45Å; H67-S71 PolarHBondContact O-N 2.91Å; R68-S71 WeakPolarHBondContact O-CB 3.33Å; R68-S71 PolarHBondContact O-N 3.38Å; R68-S71 VanDerWaalsContact O-N 3.08Å; R68-S71 PolarHBondContact O-OG 2.95Å; G69-S71 PolarHBondContact O-N 2.94Å
72L96.7Very high97.9Very high70 Ų7038.7 Ų38.737%0.36619%0.193SC..Hα-helixtrans-74.6-37.5178.9-64.4172.7000111.9R68 G69 L70 R280R68-L72 HydrophobicContact CG-CD1 4.36Å; R68-L72 WeakPolarHBondContact O-CG 3.4Å; R68-L72 PolarHBondContact O-N 3.33Å; R68-L72 VanDerWaalsContact O-N 3.09Å; G69-L72 PolarHBondContact O-N 2.95Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.79Å; L72-R280 PolarHBondContact O-NE 3.41Å; L72-R280 PolarHBondContact O-NH2 3.32Å
73S98.4Very high97.4Very high0 Ų047.9 Ų47.90%023%0.229CC..Hα-helixtrans-132.925.1-164.1-81.10000114.7G69 L70 T75 R76 Y94 R280 G306G69-S73 PolarHBondContact O-N 3.03Å; L70-S73 PolarHBondContact O-N 3.25Å; S73-T75 VanDerWaalsContact C-N 3.33Å; S73-T75 PolarHBondContact O-N 2.82Å; S73-R76 WeakPolarHBondContact O-CA 3.42Å; S73-R76 WeakPolarHBondContact O-CB 3.32Å; S73-R76 PolarHBondContact O-N 3.17Å; S73-Y94 WeakPolarHBondContact O-CD2 3.5Å; S73-R280 WeakPolarHBondContact OG-CG 3.21Å; S73-R280 PolarHBondContact OG-NE 2.8Å; S73-G306 VanDerWaalsContact CB-O 3.32Å; S73-G306 WeakPolarHBondContact CB-O 3.31Å; S73-G306 PolarHBondContact OG-O 3.06Å
74R98.6Very high97Very high134 Ų13449.1 Ų49.151%0.50624%0.238SC..THydrogen-bonded Turntrans-37.2-55.1-174.2-172.5175.4-73.5-106.70.2115.4L70 Y94 Q95L70-R74 HydrophobicContact CD1-CB 4.39Å; L70-R74 HydrophobicContact CD1-CG 4.11Å; L70-R74 WeakPolarHBondContact O-CA 3.36Å; L70-R74 VanDerWaalsContact O-CB 3.24Å; L70-R74 WeakPolarHBondContact O-CB 3.46Å; L70-R74 PolarHBondContact O-N 3.43Å; R74-Y94 WeakPolarHBondContact O-CB 3.49Å; R74-Y94 PolarHBondContact O-N 3.29Å; R74-Q95 HydrophobicContact CG-CB 4.07Å; R74-Q95 WeakPolarHBondContact O-CB 3.47Å; R74-Q95 PolarHBondContact O-N 2.83Å
75T98.6Very high96.4Very high106 Ų10649.7 Ų49.765%0.6524%0.243SC*.THydrogen-bonded Turntrans-97.45.8-176.657.70000113.7S73 T93S73-T75 VanDerWaalsContact C-N 3.33Å; S73-T75 PolarHBondContact O-N 2.82Å; T75-T93 WeakPolarHBondContact O-CG2 3.25Å
76R98.7Very high95.9Very high64 Ų6456.9 Ų56.924%0.24228%0.282CS..SBendtrans-92158.3177-67.1178.364.3142.9-5.2110.2S73 C78 T93 Y94 R280 N281S73-R76 WeakPolarHBondContact O-CA 3.42Å; S73-R76 WeakPolarHBondContact O-CB 3.32Å; S73-R76 PolarHBondContact O-N 3.17Å; R76-C78 PolarHBondContact O-N 3.08Å; R76-T93 CarbonylContact O-C 3.59Å; R76-T93 WeakPolarHBondContact O-CA 2.94Å; R76-T93 WeakPolarHBondContact O-CB 3.39Å; R76-Y94 PolarHBondContact O-N 3.33Å; R76-R280 PolarHBondContact NH2-O 3.35Å; R76-N281 PolarHBondContact NH2-OD1 2.98Å
77K98.7Very high95.5Very high95 Ų9561.1 Ų61.141%0.41330%0.302SS..EExtended strand (participates in β ladder)trans-49.8133.7172.5-63177.1172.6-168.70110.6W91 Q308K77-W91 HydrophobicContact CB-CB 4.21Å; K77-W91 HydrophobicContact CB-CD2 3.98Å; K77-W91 HydrophobicContact CB-CE3 3.74Å; K77-W91 HydrophobicContact CB-CG 4.2Å; K77-W91 HydrophobicContact CB-CZ3 4.46Å; K77-W91 HydrophobicContact CD-CB 4.07Å; K77-W91 HydrophobicContact CD-CD2 3.72Å; K77-W91 HydrophobicContact CD-CE3 4.31Å; K77-W91 HydrophobicContact CD-CG 3.58Å; K77-W91 HydrophobicContact CG-CB 3.8Å; K77-W91 HydrophobicContact CG-CD2 4.08Å; K77-W91 HydrophobicContact CG-CE3 4.36Å; K77-W91 HydrophobicContact CG-CG 3.84Å; K77-Q308 HydrophobicContact CB-CG 3.9Å; K77-Q308 WeakPolarHBondContact O-CG 3.1Å
78C98.9Very high95.3Very high0 Ų063.7 Ų63.70%032%0.324CS..EExtended strand (participates in β ladder)trans-117.3-66.1175.6-175.40000110.1R76 I92 Y94 V97 I309R76-C78 PolarHBondContact O-N 3.08Å; C78-I92 PolarHBondContact N-O 3.25Å; C78-Y94 HydrophobicContact CB-CD1 4.33Å; C78-Y94 HydrophobicContact CB-CD2 3.44Å; C78-Y94 VanDerWaalsContact CB-CD2 3.44Å; C78-Y94 HydrophobicContact CB-CE2 3.65Å; C78-Y94 HydrophobicContact CB-CG 3.79Å; C78-V97 HydrophobicContact CB-CG2 3.93Å; C78-I309 PolarHBondContact O-N 2.88Å
79L98.9Very high95.3Very high2 Ų262.6 Ų62.61%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-114.3130.4-174.8-55.5-177.8000110.1W91 I92 V97 P130 F133 I134 I309 F311L79-W91 VanDerWaalsContact C-CE3 3.46Å; L79-W91 WeakPolarHBondContact O-CA 3.33Å; L79-I92 HydrophobicContact CB-CD1 4.21Å; L79-I92 HydrophobicContact CB-CG1 3.86Å; L79-I92 HydrophobicContact CD1-CD1 4.32Å; L79-I92 PolarHBondContact N-O 2.79Å; L79-I92 PolarHBondContact O-N 3.17Å; L79-V97 HydrophobicContact CB-CG2 4.41Å; L79-V97 HydrophobicContact CD1-CG1 4.17Å; L79-V97 HydrophobicContact CD1-CG2 3.74Å; L79-V97 HydrophobicContact CG-CG2 3.79Å; L79-P130 HydrophobicContact CB-CB 4.27Å; L79-P130 HydrophobicContact CD1-CB 4.13Å; L79-F133 HydrophobicContact CD1-CB 4Å; L79-F133 HydrophobicContact CD1-CD1 3.48Å; L79-F133 VanDerWaalsContact CD1-CD1 3.48Å; L79-F133 HydrophobicContact CD1-CE1 4.21Å; L79-F133 HydrophobicContact CD1-CG 3.88Å; L79-F133 HydrophobicContact CD2-CB 4.48Å; L79-F133 HydrophobicContact CD2-CD1 3.89Å; L79-F133 HydrophobicContact CD2-CD2 4.13Å; L79-F133 HydrophobicContact CD2-CE1 4.14Å; L79-F133 HydrophobicContact CD2-CE2 4.36Å; L79-F133 HydrophobicContact CD2-CG 3.89Å; L79-F133 HydrophobicContact CD2-CZ 4.37Å; L79-F133 HydrophobicContact CG-CD1 4.25Å; L79-I134 HydrophobicContact CD1-CD1 4.42Å; L79-I134 HydrophobicContact CD1-CG1 4.12Å; L79-I309 CarbonylContact C-O 3.57Å; L79-I309 WeakPolarHBondContact CA-O 3.32Å; L79-I309 HydrophobicContact CD2-CB 4.08Å; L79-I309 HydrophobicContact CD2-CD1 4.26Å; L79-F311 HydrophobicContact CB-CE2 4.09Å; L79-F311 HydrophobicContact CD2-CE2 4Å; L79-F311 HydrophobicContact CD2-CZ 4.22Å; L79-F311 HydrophobicContact CG-CE2 4.44Å
80G98.5Very high95.3Very high0 Ų066.6 Ų66.60%035%0.348CS..EExtended strand (participates in β ladder)trans-125.8137.5-177.700000112.5S90 I309 G310 F311G80-S90 CarbonylContact C-O 3.52Å; G80-S90 WeakPolarHBondContact CA-O 3.33Å; G80-I309 PolarHBondContact N-O 2.92Å; G80-G310 WeakPolarHBondContact O-CA 3.26Å; G80-F311 WeakPolarHBondContact O-CD2 3.39Å; G80-F311 PolarHBondContact O-N 2.66Å
81S96.8Very high95.3Very high45 Ų4568.5 Ų68.532%0.31536%0.355SS..EExtended strand (participates in β ladder)trans-147.4160.1174.154.30000110.9S90S81-S90 PolarHBondContact N-O 2.98Å; S81-S90 PolarHBondContact O-N 2.91Å
82R93.6Very high95.3Very high24 Ų2466.3 Ų66.39%0.09134%0.336CS..  trans-137154170.660.4-176.9179.4166.53.1110.2T84 T85 E87 Y89 T313 D321 D322 A325R82-T84 VanDerWaalsContact CD-O 3.31Å; R82-T84 WeakPolarHBondContact CD-O 3.22Å; R82-T85 PolarHBondContact NH1-O 3.17Å; R82-E87 WeakPolarHBondContact CD-O 3.13Å; R82-E87 PolarHBondContact NH1-O 3.08Å; R82-Y89 HydrophobicContact CG-CD2 4.3Å; R82-Y89 HydrophobicContact CG-CE2 4.14Å; R82-T313 HydrophobicContact CG-CG2 4.24Å; R82-T313 WeakPolarHBondContact CG-OG1 3.35Å; R82-T313 PolarHBondContact NE-OG1 3.1Å; R82-D321 PolarHBondContact NH2-O 2.94Å; R82-D322 IonicContact CZ-OD1 3.62Å; R82-D322 IonicContact NE-OD1 3.77Å; R82-D322 PolarHBondContact NE-OD1 2.97Å; R82-D322 IonicContact NH2-OD1 3.82Å; R82-D322 PolarHBondContact NH2-OD1 3.26Å; R82-A325 VanDerWaalsContact NH1-CB 3.3Å
83Y86.8Confident95.4Very high194 Ų19464.5 Ų64.576%0.76133%0.328SS*.SBendtrans-82.1-41.7-177.2-173.9-109.2000111.4T313Y83-T313 WeakPolarHBondContact O-CG2 3.45Å
84T89.7Confident95.5Very high48 Ų4864.5 Ų64.529%0.29433%0.328SS..SBendtrans-126.5159.5173.175.10000111.9R82 N86 E87R82-T84 VanDerWaalsContact CD-O 3.31Å; R82-T84 WeakPolarHBondContact CD-O 3.22Å; T84-N86 PolarHBondContact O-N 2.72Å; T84-N86 VanDerWaalsContact O-N 3.16Å; T84-N86 PolarHBondContact OG1-N 2.93Å; T84-E87 PolarHBondContact O-N 2.9Å
85T87Confident95.5Very high60 Ų6061.7 Ų61.737%0.36832%0.321SS..THydrogen-bonded Turntrans-67.4-11.6177.149.70000113.6R82 T313 D321R82-T85 PolarHBondContact NH1-O 3.17Å; T85-T313 HydrophobicContact CG2-CG2 4.27Å; T85-D321 HydrophobicContact CG2-CB 4.24Å
86N87.1Confident95.5Very high151 Ų15160.4 Ų60.481%0.80731%0.307SS*.THydrogen-bonded Turntrans-86.5-8.4177.6-64-30.9000113.2T84T84-N86 PolarHBondContact O-N 2.72Å; T84-N86 VanDerWaalsContact O-N 3.16Å; T84-N86 PolarHBondContact OG1-N 2.93Å
87E90.3Very high95.5Very high89 Ų8957.4 Ų57.442%0.41630%0.296SS..SBendtrans-103.7154.2-178-70.9169.1-176.900111.9R82 T84R82-E87 WeakPolarHBondContact CD-O 3.13Å; R82-E87 PolarHBondContact NH1-O 3.08Å; T84-E87 PolarHBondContact O-N 2.9Å
88P93.6Very high95.5Very high116 Ų11654.1 Ų54.175%0.75328%0.283SS*.PPolyproline II helixtrans-68.7153.9168.630.5-34.4000110.9S90P88-S90 PolarHBondContact O-N 3.09Å
89Y96.7Very high95.5Very high23 Ų2358.8 Ų58.89%0.0931%0.305CS..PPolyproline II helixtrans-61.3125.3169.2-85.4-106000110.6R82 W91 F311 D322 A325 L326R82-Y89 HydrophobicContact CG-CD2 4.3Å; R82-Y89 HydrophobicContact CG-CE2 4.14Å; Y89-W91 HydrophobicContact CD1-CZ2 4.36Å; Y89-W91 HydrophobicContact CG-CZ2 4.45Å; Y89-W91 PolarHBondContact O-NE1 2.83Å; Y89-F311 WeakPolarHBondContact CE1-O 3.38Å; Y89-F311 PolarHBondContact OH-O 2.75Å; Y89-F311 VanDerWaalsContact OH-O 3.05Å; Y89-D322 PolarHBondContact OH-OD1 2.79Å; Y89-A325 HydrophobicContact CE2-CB 4.27Å; Y89-L326 HydrophobicContact CD1-CD1 4.09Å; Y89-L326 HydrophobicContact CD2-CD1 4.42Å; Y89-L326 HydrophobicContact CE1-CD1 4.02Å; Y89-L326 HydrophobicContact CE2-CB 4.01Å; Y89-L326 HydrophobicContact CE2-CD1 4.36Å; Y89-L326 HydrophobicContact CG-CD1 4.3Å
90S97.5Very high95.5Very high85 Ų8561 Ų6159%0.59431%0.314SS*.EExtended strand (participates in β ladder)trans-83.8141.5163.5-174.60000109.2G80 S81 P88G80-S90 CarbonylContact C-O 3.52Å; G80-S90 WeakPolarHBondContact CA-O 3.33Å; S81-S90 PolarHBondContact N-O 2.98Å; S81-S90 PolarHBondContact O-N 2.91Å; P88-S90 PolarHBondContact O-N 3.09Å
91W98.6Very high95.5Very high48 Ų4861 Ų6118%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-128.5140.6-172.2-66.786.5000111.2K77 L79 Y89 Q308 I309 L326K77-W91 HydrophobicContact CB-CB 4.21Å; K77-W91 HydrophobicContact CB-CD2 3.98Å; K77-W91 HydrophobicContact CB-CE3 3.74Å; K77-W91 HydrophobicContact CB-CG 4.2Å; K77-W91 HydrophobicContact CB-CZ3 4.46Å; K77-W91 HydrophobicContact CD-CB 4.07Å; K77-W91 HydrophobicContact CD-CD2 3.72Å; K77-W91 HydrophobicContact CD-CE3 4.31Å; K77-W91 HydrophobicContact CD-CG 3.58Å; K77-W91 HydrophobicContact CG-CB 3.8Å; K77-W91 HydrophobicContact CG-CD2 4.08Å; K77-W91 HydrophobicContact CG-CE3 4.36Å; K77-W91 HydrophobicContact CG-CG 3.84Å; L79-W91 VanDerWaalsContact C-CE3 3.46Å; L79-W91 WeakPolarHBondContact O-CA 3.33Å; Y89-W91 HydrophobicContact CD1-CZ2 4.36Å; Y89-W91 HydrophobicContact CG-CZ2 4.45Å; Y89-W91 PolarHBondContact O-NE1 2.83Å; W91-Q308 HydrophobicContact CH2-CB 3.88Å; W91-Q308 HydrophobicContact CZ3-CB 3.72Å; W91-Q308 HydrophobicContact CZ3-CG 4.29Å; W91-I309 WeakPolarHBondContact CZ3-O 3.38Å; W91-L326 HydrophobicContact CH2-CD1 3.72Å; W91-L326 HydrophobicContact CZ2-CD1 3.62Å
92I98.7Very high95.6Very high38 Ų3861.7 Ų61.720%0.19531%0.313CS..EExtended strand (participates in β ladder)trans-108.8145.2162.757.6174.4000109.7C78 L79 E96 V97 K100 I134C78-I92 PolarHBondContact N-O 3.25Å; L79-I92 HydrophobicContact CB-CD1 4.21Å; L79-I92 HydrophobicContact CB-CG1 3.86Å; L79-I92 HydrophobicContact CD1-CD1 4.32Å; L79-I92 PolarHBondContact N-O 2.79Å; L79-I92 PolarHBondContact O-N 3.17Å; I92-E96 WeakPolarHBondContact CA-OE2 3.5Å; I92-E96 HydrophobicContact CB-CB 4.18Å; I92-V97 HydrophobicContact CD1-CG2 3.51Å; I92-V97 HydrophobicContact CG1-CG2 3.72Å; I92-K100 HydrophobicContact CD1-CD 4.42Å; I92-I134 HydrophobicContact CD1-CD1 4.1Å
93T98.9Very high95.9Very high33 Ų3360.6 Ų60.620%0.20231%0.309CS..EExtended strand (participates in β ladder)trans-77.9164.2-178.861.10000112.1T75 R76 Q95 E96 V97T75-T93 WeakPolarHBondContact O-CG2 3.25Å; R76-T93 CarbonylContact O-C 3.59Å; R76-T93 WeakPolarHBondContact O-CA 2.94Å; R76-T93 WeakPolarHBondContact O-CB 3.39Å; T93-Q95 PolarHBondContact O-N 3.42Å; T93-E96 WeakPolarHBondContact CB-OE2 3.37Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.5Å; T93-E96 PolarHBondContact N-OE2 3.35Å; T93-E96 PolarHBondContact O-N 3.47Å; T93-E96 WeakPolarHBondContact OG1-CG 3.5Å; T93-E96 PolarHBondContact OG1-N 3.09Å; T93-E96 PolarHBondContact OG1-OE2 2.9Å; T93-V97 VanDerWaalsContact O-CG2 3.24Å; T93-V97 WeakPolarHBondContact O-CG2 3.42Å; T93-V97 PolarHBondContact O-N 3.09Å
94Y98.9Very high96.5Very high0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-56.8-38.5174.1-87.6-96.7000112.2F66 L70 S73 R74 R76 C78 V97 D98 V303 G306 A307F66-Y94 HydrophobicContact CE2-CD1 4.16Å; F66-Y94 HydrophobicContact CE2-CE1 4.45Å; F66-Y94 HydrophobicContact CZ-CD1 4.43Å; L70-Y94 HydrophobicContact CB-CD1 4.41Å; S73-Y94 WeakPolarHBondContact O-CD2 3.5Å; R74-Y94 WeakPolarHBondContact O-CB 3.49Å; R74-Y94 PolarHBondContact O-N 3.29Å; R76-Y94 PolarHBondContact O-N 3.33Å; C78-Y94 HydrophobicContact CB-CD1 4.33Å; C78-Y94 HydrophobicContact CB-CD2 3.44Å; C78-Y94 VanDerWaalsContact CB-CD2 3.44Å; C78-Y94 HydrophobicContact CB-CE2 3.65Å; C78-Y94 HydrophobicContact CB-CG 3.79Å; Y94-V97 PolarHBondContact O-N 3.45Å; Y94-D98 PolarHBondContact O-N 3.05Å; Y94-V303 HydrophobicContact CE1-CG1 4.22Å; Y94-V303 WeakPolarHBondContact OH-CA 3.44Å; Y94-G306 VanDerWaalsContact OH-CA 3.31Å; Y94-G306 WeakPolarHBondContact OH-CA 3.49Å; Y94-A307 WeakPolarHBondContact CE2-O 3.29Å; Y94-A307 PolarHBondContact OH-N 2.89Å; Y94-A307 PolarHBondContact OH-O 3.05Å
95Q98.9Very high96.9Very high75 Ų7549.1 Ų49.135%0.3526%0.259SS..Hα-helixtrans-62.4-49.5175.8178.4176.4-15.900111.9R74 T93 V97 D98 E99R74-Q95 HydrophobicContact CG-CB 4.07Å; R74-Q95 WeakPolarHBondContact O-CB 3.47Å; R74-Q95 PolarHBondContact O-N 2.83Å; T93-Q95 PolarHBondContact O-N 3.42Å; Q95-V97 PolarHBondContact O-N 2.83Å; Q95-D98 PolarHBondContact O-N 3.49Å; Q95-D98 VanDerWaalsContact O-N 3.1Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.15Å; Q95-E99 PolarHBondContact NE2-OE1 3.34Å; Q95-E99 WeakPolarHBondContact O-CG 3.24Å; Q95-E99 PolarHBondContact O-N 3.28Å
96E98.9Very high97.4Very high79 Ų7946.3 Ų46.337%0.36924%0.241SC..Hα-helixtrans-63.6-33.4178.2-70.1164125.400111.8I92 T93 K100I92-E96 WeakPolarHBondContact CA-OE2 3.5Å; I92-E96 HydrophobicContact CB-CB 4.18Å; T93-E96 WeakPolarHBondContact CB-OE2 3.37Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.5Å; T93-E96 PolarHBondContact N-OE2 3.35Å; T93-E96 PolarHBondContact O-N 3.47Å; T93-E96 WeakPolarHBondContact OG1-CG 3.5Å; T93-E96 PolarHBondContact OG1-N 3.09Å; T93-E96 PolarHBondContact OG1-OE2 2.9Å; E96-K100 WeakPolarHBondContact O-CG 3.47Å; E96-K100 PolarHBondContact O-N 3.27Å
97V98.9Very high98Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-65.3-44.5172.3175.20000110.8F66 C78 L79 I92 T93 Y94 Q95 E99 K100 I101 F133 I134F66-V97 HydrophobicContact CE2-CG1 3.78Å; F66-V97 HydrophobicContact CZ-CB 4.15Å; F66-V97 HydrophobicContact CZ-CG1 3.65Å; C78-V97 HydrophobicContact CB-CG2 3.93Å; L79-V97 HydrophobicContact CB-CG2 4.41Å; L79-V97 HydrophobicContact CD1-CG1 4.17Å; L79-V97 HydrophobicContact CD1-CG2 3.74Å; L79-V97 HydrophobicContact CG-CG2 3.79Å; I92-V97 HydrophobicContact CD1-CG2 3.51Å; I92-V97 HydrophobicContact CG1-CG2 3.72Å; T93-V97 VanDerWaalsContact O-CG2 3.24Å; T93-V97 WeakPolarHBondContact O-CG2 3.42Å; T93-V97 PolarHBondContact O-N 3.09Å; Y94-V97 PolarHBondContact O-N 3.45Å; Q95-V97 PolarHBondContact O-N 2.83Å; V97-E99 PolarHBondContact O-N 2.76Å; V97-K100 PolarHBondContact O-N 2.86Å; V97-I101 HydrophobicContact CG1-CD1 3.83Å; V97-I101 HydrophobicContact CG1-CG1 4.39Å; V97-I101 WeakPolarHBondContact O-CB 3.39Å; V97-I101 VanDerWaalsContact O-CG1 3.3Å; V97-I101 WeakPolarHBondContact O-CG1 3.5Å; V97-I101 PolarHBondContact O-N 3.08Å; V97-F133 HydrophobicContact CG1-CD1 4.38Å; V97-F133 HydrophobicContact CG1-CE1 4.13Å; V97-I134 HydrophobicContact CG1-CG1 4.23Å
98D98.8Very high98.3Very high26 Ų2634.9 Ų34.914%0.13918%0.183CC..Hα-helixtrans-63.1-40.6177.5-168.249000112.3F66 L70 Y94 Q95 K100 I101 Q102 K231F66-D98 HydrophobicContact CE1-CB 3.84Å; F66-D98 HydrophobicContact CZ-CB 4.3Å; L70-D98 HydrophobicContact CD1-CB 4.26Å; L70-D98 HydrophobicContact CD2-CB 4.05Å; Y94-D98 PolarHBondContact O-N 3.05Å; Q95-D98 PolarHBondContact O-N 3.49Å; Q95-D98 VanDerWaalsContact O-N 3.1Å; D98-K100 PolarHBondContact O-N 2.87Å; D98-I101 WeakPolarHBondContact O-CB 3.35Å; D98-I101 PolarHBondContact O-N 2.81Å; D98-Q102 PolarHBondContact O-N 3.47Å; D98-K231 IonicContact OD1-NZ 3.79Å; D98-K231 PolarHBondContact OD1-NZ 3.4Å; D98-K231 IonicContact OD2-NZ 3.83Å; D98-K231 PolarHBondContact OD2-NZ 3.32Å
99E98.8Very high98.4Very high99 Ų9930.4 Ų30.446%0.46315%0.154SC..Hα-helixtrans-62.2-42.2174.8-71.1168.5-170.300111.2Q95 V97 Q102 A103Q95-E99 WeakPolarHBondContact CG-OE1 3.15Å; Q95-E99 PolarHBondContact NE2-OE1 3.34Å; Q95-E99 WeakPolarHBondContact O-CG 3.24Å; Q95-E99 PolarHBondContact O-N 3.28Å; V97-E99 PolarHBondContact O-N 2.76Å; E99-Q102 PolarHBondContact O-N 3.36Å; E99-A103 WeakPolarHBondContact O-CB 3.3Å; E99-A103 PolarHBondContact O-N 3.45Å
100K98.9Very high98.4Very high47 Ų4731.8 Ų31.820%0.20416%0.161CC..Hα-helixtrans-70.1-35.2175.2-71-178.6-177.7-69.10112.6I92 E96 V97 D98 Q102 A103 F104 I134 L221I92-K100 HydrophobicContact CD1-CD 4.42Å; E96-K100 WeakPolarHBondContact O-CG 3.47Å; E96-K100 PolarHBondContact O-N 3.27Å; V97-K100 PolarHBondContact O-N 2.86Å; D98-K100 PolarHBondContact O-N 2.87Å; K100-Q102 VanDerWaalsContact C-N 3.34Å; K100-A103 PolarHBondContact O-N 2.81Å; K100-F104 VanDerWaalsContact O-CB 3.31Å; K100-F104 WeakPolarHBondContact O-CB 3.49Å; K100-F104 PolarHBondContact O-N 2.68Å; K100-I134 HydrophobicContact CB-CD1 4.03Å; K100-I134 HydrophobicContact CB-CG1 4.46Å; K100-I134 HydrophobicContact CB-CG2 3.9Å; K100-I134 HydrophobicContact CD-CD1 3.74Å; K100-L221 HydrophobicContact CB-CD1 4.45Å; K100-L221 HydrophobicContact CB-CD2 4.33Å; K100-L221 HydrophobicContact CD-CD1 4.17Å; K100-L221 HydrophobicContact CG-CD1 4.01Å; K100-L221 WeakPolarHBondContact O-CD2 3.4Å
101I98.9Very high98.2Very high0 Ų027.8 Ų27.80%013%0.133CC..Hα-helixtrans-60-46172-78.8166.9000110F66 V97 D98 G105 I134 A138 C141F66-I101 HydrophobicContact CD1-CD1 3.98Å; F66-I101 HydrophobicContact CD2-CD1 4.35Å; F66-I101 HydrophobicContact CE1-CD1 3.59Å; F66-I101 HydrophobicContact CE2-CD1 3.99Å; F66-I101 HydrophobicContact CG-CD1 4.37Å; F66-I101 HydrophobicContact CZ-CD1 3.61Å; V97-I101 HydrophobicContact CG1-CD1 3.83Å; V97-I101 HydrophobicContact CG1-CG1 4.39Å; V97-I101 WeakPolarHBondContact O-CB 3.39Å; V97-I101 VanDerWaalsContact O-CG1 3.3Å; V97-I101 WeakPolarHBondContact O-CG1 3.5Å; V97-I101 PolarHBondContact O-N 3.08Å; D98-I101 WeakPolarHBondContact O-CB 3.35Å; D98-I101 PolarHBondContact O-N 2.81Å; I101-G105 PolarHBondContact O-N 3.1Å; I101-I134 HydrophobicContact CG1-CG2 4.3Å; I101-A138 HydrophobicContact CG2-CB 4.43Å; I101-C141 HydrophobicContact CG2-CB 4.11Å
102Q98.8Very high97.9Very high61 Ų6126.1 Ų26.129%0.28513%0.127SC..Hα-helixtrans-65-45.4178.4-167.9-179.30.500111.5D98 E99 K100 S106 Y142 L228D98-Q102 PolarHBondContact O-N 3.47Å; E99-Q102 PolarHBondContact O-N 3.36Å; K100-Q102 VanDerWaalsContact C-N 3.34Å; Q102-S106 VanDerWaalsContact O-CB 3.31Å; Q102-S106 WeakPolarHBondContact O-CB 3.36Å; Q102-S106 PolarHBondContact O-N 3.39Å; Q102-S106 PolarHBondContact O-OG 2.82Å; Q102-Y142 WeakPolarHBondContact CG-OH 3.33Å; Q102-Y142 PolarHBondContact O-OH 3.43Å; Q102-L228 HydrophobicContact CG-CD2 4.15Å
103A98.9Very high97.4Very high1 Ų129.3 Ų29.31%0.00815%0.149CC..Hα-helixtrans-60.8-52.3176.500000111.5E99 K100 G105 S106 A107 L221 G224 R225E99-A103 WeakPolarHBondContact O-CB 3.3Å; E99-A103 PolarHBondContact O-N 3.45Å; K100-A103 PolarHBondContact O-N 2.81Å; A103-G105 VanDerWaalsContact C-N 3.35Å; A103-G105 PolarHBondContact O-N 2.91Å; A103-S106 PolarHBondContact O-N 2.95Å; A103-A107 PolarHBondContact O-N 3.22Å; A103-L221 HydrophobicContact CB-CB 4.38Å; A103-L221 HydrophobicContact CB-CD2 3.98Å; A103-G224 VanDerWaalsContact O-CA 3.32Å; A103-G224 WeakPolarHBondContact O-CA 3.41Å; A103-R225 HydrophobicContact CB-CG 3.95Å
104F98.9Very high96.8Very high1 Ų132.9 Ų32.90%0.00416%0.161CC..Hα-helixtrans-60.1-44.5179.5-164.5-79.1000112K100 S106 A107 L108 I134 T135 A138 V193 F217 F220 L221K100-F104 VanDerWaalsContact O-CB 3.31Å; K100-F104 WeakPolarHBondContact O-CB 3.49Å; K100-F104 PolarHBondContact O-N 2.68Å; F104-S106 VanDerWaalsContact C-N 3.33Å; F104-S106 PolarHBondContact O-N 3.24Å; F104-A107 PolarHBondContact O-N 3.48Å; F104-L108 HydrophobicContact CD1-CD1 3.81Å; F104-L108 HydrophobicContact CD1-CG 3.87Å; F104-L108 HydrophobicContact CE1-CD1 3.74Å; F104-L108 HydrophobicContact CE1-CD2 3.98Å; F104-L108 HydrophobicContact CE1-CG 3.71Å; F104-L108 PolarHBondContact O-N 3.18Å; F104-I134 HydrophobicContact CB-CG2 4.4Å; F104-T135 HydrophobicContact CE1-CG2 3.67Å; F104-T135 WeakPolarHBondContact CE2-OG1 3.35Å; F104-T135 HydrophobicContact CZ-CG2 3.65Å; F104-T135 VanDerWaalsContact CZ-OG1 3.31Å; F104-T135 WeakPolarHBondContact CZ-OG1 3.37Å; F104-A138 HydrophobicContact CB-CB 3.88Å; F104-A138 HydrophobicContact CD1-CB 3.68Å; F104-A138 HydrophobicContact CG-CB 4.14Å; F104-V193 HydrophobicContact CE2-CG1 4.28Å; F104-F217 HydrophobicContact CD2-CD2 4.26Å; F104-F217 AromaticContact CD2-CE2 3.57Å; F104-F217 HydrophobicContact CD2-CE2 3.57Å; F104-F217 AromaticContact CD2-CZ 3.93Å; F104-F217 HydrophobicContact CD2-CZ 3.93Å; F104-F217 AromaticContact CE2-CD2 3.91Å; F104-F217 HydrophobicContact CE2-CD2 3.91Å; F104-F217 AromaticContact CE2-CE2 3.47Å; F104-F217 HydrophobicContact CE2-CE2 3.47Å; F104-F217 VanDerWaalsContact CE2-CE2 3.47Å; F104-F217 HydrophobicContact CE2-CZ 4.3Å; F104-F220 HydrophobicContact CD1-CD1 4.4Å; F104-F220 HydrophobicContact CD1-CE1 4.03Å; F104-F220 AromaticContact CD2-CD1 3.61Å; F104-F220 HydrophobicContact CD2-CD1 3.61Å; F104-F220 HydrophobicContact CD2-CE1 4.07Å; F104-F220 HydrophobicContact CE1-CD1 4.28Å; F104-F220 AromaticContact CE1-CE1 3.8Å; F104-F220 HydrophobicContact CE1-CE1 3.8Å; F104-F220 AromaticContact CE2-CD1 3.47Å; F104-F220 HydrophobicContact CE2-CD1 3.47Å; F104-F220 VanDerWaalsContact CE2-CD1 3.47Å; F104-F220 AromaticContact CE2-CE1 3.85Å; F104-F220 HydrophobicContact CE2-CE1 3.85Å; F104-F220 HydrophobicContact CE2-CG 4.43Å; F104-F220 HydrophobicContact CG-CD1 4.08Å; F104-F220 HydrophobicContact CG-CE1 4.15Å; F104-F220 AromaticContact CZ-CD1 3.83Å; F104-F220 HydrophobicContact CZ-CD1 3.83Å; F104-F220 AromaticContact CZ-CE1 3.71Å; F104-F220 HydrophobicContact CZ-CE1 3.71Å; F104-L221 HydrophobicContact CB-CD2 3.75Å; F104-L221 HydrophobicContact CD2-CD2 4.14Å; F104-L221 HydrophobicContact CG-CD2 4.47Å
105G98.7Very high96.2Very high0 Ų035.7 Ų35.70%017%0.172CC..Hα-helixtrans-65.3-34.5178.200000113.5I101 A103 L108 V109I101-G105 PolarHBondContact O-N 3.1Å; A103-G105 VanDerWaalsContact C-N 3.35Å; A103-G105 PolarHBondContact O-N 2.91Å; G105-L108 WeakPolarHBondContact O-CB 3.24Å; G105-L108 PolarHBondContact O-N 3.34Å; G105-V109 WeakPolarHBondContact O-CG2 3.46Å; G105-V109 PolarHBondContact O-N 3.39Å
106S98.8Very high95Very high1 Ų136 Ų361%0.00718%0.181CC..Hα-helixtrans-65.1-43.7174.3-57.40000111.7Q102 A103 F104 V109 E110 Y142 K229Q102-S106 VanDerWaalsContact O-CB 3.31Å; Q102-S106 WeakPolarHBondContact O-CB 3.36Å; Q102-S106 PolarHBondContact O-N 3.39Å; Q102-S106 PolarHBondContact O-OG 2.82Å; A103-S106 PolarHBondContact O-N 2.95Å; F104-S106 VanDerWaalsContact C-N 3.33Å; F104-S106 PolarHBondContact O-N 3.24Å; S106-V109 PolarHBondContact O-N 3.04Å; S106-E110 PolarHBondContact O-N 3Å; S106-E110 VanDerWaalsContact O-N 3.09Å; S106-Y142 PolarHBondContact OG-OH 3.18Å; S106-K229 PolarHBondContact OG-N 3.13Å
107A98.7Very high93.5Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-63.3-39.7173.500000112.2A103 F104 V109 E110 I111 F220 L223A103-A107 PolarHBondContact O-N 3.22Å; F104-A107 PolarHBondContact O-N 3.48Å; A107-V109 PolarHBondContact O-N 3.22Å; A107-E110 PolarHBondContact O-N 3.27Å; A107-I111 WeakPolarHBondContact O-CB 3.28Å; A107-I111 WeakPolarHBondContact O-CG1 3.35Å; A107-I111 PolarHBondContact O-N 3.48Å; A107-F220 HydrophobicContact CB-CD1 3.67Å; A107-F220 HydrophobicContact CB-CD2 4.34Å; A107-F220 HydrophobicContact CB-CE1 3.4Å; A107-F220 HydrophobicContact CB-CE2 4.12Å; A107-F220 HydrophobicContact CB-CG 4.15Å; A107-F220 HydrophobicContact CB-CZ 3.64Å; A107-F220 WeakPolarHBondContact CB-O 3.18Å; A107-L223 HydrophobicContact CB-CB 4.29Å; A107-L223 HydrophobicContact CB-CD2 4.19Å; A107-L223 HydrophobicContact CB-CG 4.33Å
108L97.3Very high91.7Very high0 Ų043.8 Ų43.80%023%0.228CC..Hα-helixtrans-57.7-46.3172.7-77.6178.1000111.6F104 G105 E110 I111 M112 V122 Y144 I169 F220F104-L108 HydrophobicContact CD1-CD1 3.81Å; F104-L108 HydrophobicContact CD1-CG 3.87Å; F104-L108 HydrophobicContact CE1-CD1 3.74Å; F104-L108 HydrophobicContact CE1-CD2 3.98Å; F104-L108 HydrophobicContact CE1-CG 3.71Å; F104-L108 PolarHBondContact O-N 3.18Å; G105-L108 WeakPolarHBondContact O-CB 3.24Å; G105-L108 PolarHBondContact O-N 3.34Å; L108-E110 PolarHBondContact O-N 3.4Å; L108-I111 PolarHBondContact O-N 3.4Å; L108-M112 WeakPolarHBondContact O-CB 3.38Å; L108-M112 WeakPolarHBondContact O-CG 3.49Å; L108-M112 PolarHBondContact O-N 2.92Å; L108-V122 HydrophobicContact CD1-CG2 4.36Å; L108-V122 HydrophobicContact CD2-CG2 4.04Å; L108-Y144 HydrophobicContact CB-CD2 4.42Å; L108-Y144 HydrophobicContact CB-CE2 3.88Å; L108-Y144 HydrophobicContact CD1-CD2 4.01Å; L108-Y144 HydrophobicContact CD1-CE2 4.3Å; L108-I169 HydrophobicContact CD2-CD1 3.79Å; L108-F220 HydrophobicContact CD2-CE1 4.28Å; L108-F220 HydrophobicContact CD2-CZ 4.1Å; L108-F220 HydrophobicContact CG-CE1 4.22Å; L108-F220 HydrophobicContact CG-CZ 4.4Å
109V95.9Very high90Very high22 Ų2245.7 Ų45.713%0.13324%0.236CC..Hα-helixtrans-58.9-47.8177172.50000111.1G105 S106 A107 I111 M112 T113 Y142 K229 I232G105-V109 WeakPolarHBondContact O-CG2 3.46Å; G105-V109 PolarHBondContact O-N 3.39Å; S106-V109 PolarHBondContact O-N 3.04Å; A107-V109 PolarHBondContact O-N 3.22Å; V109-I111 VanDerWaalsContact C-N 3.31Å; V109-I111 PolarHBondContact O-N 3.16Å; V109-M112 PolarHBondContact O-N 3.36Å; V109-T113 HydrophobicContact CG1-CG2 4.4Å; V109-T113 WeakPolarHBondContact O-CG2 3.35Å; V109-T113 PolarHBondContact O-N 3.01Å; V109-T113 VanDerWaalsContact O-N 3.14Å; V109-T113 PolarHBondContact O-OG1 3.32Å; V109-Y142 HydrophobicContact CG2-CD1 3.64Å; V109-Y142 HydrophobicContact CG2-CE1 4.15Å; V109-K229 HydrophobicContact CB-CG 4.17Å; V109-K229 HydrophobicContact CG1-CG 4.1Å; V109-I232 HydrophobicContact CG2-CD1 3.87Å
110E94.9Very high89.4Confident52 Ų5244.6 Ų44.624%0.24323%0.228CC..Hα-helixtrans-61.3-39.2179.9-164.5-148.8123.900112.7S106 A107 L108 T113 K114 L223S106-E110 PolarHBondContact O-N 3Å; S106-E110 VanDerWaalsContact O-N 3.09Å; A107-E110 PolarHBondContact O-N 3.27Å; L108-E110 PolarHBondContact O-N 3.4Å; E110-T113 PolarHBondContact O-OG1 2.82Å; E110-K114 WeakPolarHBondContact O-CE 3.31Å; E110-K114 PolarHBondContact O-NZ 3.4Å; E110-K114 IonicContact OE1-NZ 2.6Å; E110-K114 PolarHBondContact OE1-NZ 3Å; E110-L223 WeakPolarHBondContact OE2-CD1 3.48Å; E110-L223 WeakPolarHBondContact OE2-CG 3.49Å
111I93.6Very high89.2Confident1 Ų143.3 Ų43.31%0.00522%0.222CC..Hα-helixtrans-74.4-48.4178.9-69.1-61.9000111.5A107 L108 V109 T113 K114 Y115 I169 V191 K213 Y215 F220 L223A107-I111 WeakPolarHBondContact O-CB 3.28Å; A107-I111 WeakPolarHBondContact O-CG1 3.35Å; A107-I111 PolarHBondContact O-N 3.48Å; L108-I111 PolarHBondContact O-N 3.4Å; V109-I111 VanDerWaalsContact C-N 3.31Å; V109-I111 PolarHBondContact O-N 3.16Å; I111-T113 VanDerWaalsContact C-N 3.32Å; I111-T113 PolarHBondContact O-N 3.33Å; I111-K114 WeakPolarHBondContact O-CB 3.3Å; I111-K114 PolarHBondContact O-N 2.86Å; I111-Y115 HydrophobicContact CG2-CE2 4.1Å; I111-Y115 WeakPolarHBondContact O-CD2 3.41Å; I111-Y115 WeakPolarHBondContact O-CE2 3.4Å; I111-I169 HydrophobicContact CG2-CD1 4.36Å; I111-V191 HydrophobicContact CG2-CB 4.36Å; I111-V191 HydrophobicContact CG2-CG1 4.43Å; I111-V191 HydrophobicContact CG2-CG2 3.68Å; I111-K213 HydrophobicContact CD1-CD 4.38Å; I111-Y215 HydrophobicContact CD1-CE2 4.35Å; I111-F220 HydrophobicContact CG1-CE2 3.98Å; I111-F220 HydrophobicContact CG1-CZ 4.36Å; I111-L223 HydrophobicContact CD1-CD2 4.2Å; I111-L223 HydrophobicContact CG1-CD2 4.22Å
112M92.5Very high89.2Confident12 Ų1243.4 Ų43.46%0.05922%0.223CC..Hα-helixtrans-74-21.3-169.8-66.3-62.4-70.300113.2L108 V109 K114 Y115 E119 Y144 I169L108-M112 WeakPolarHBondContact O-CB 3.38Å; L108-M112 WeakPolarHBondContact O-CG 3.49Å; L108-M112 PolarHBondContact O-N 2.92Å; V109-M112 PolarHBondContact O-N 3.36Å; M112-K114 PolarHBondContact O-N 3.36Å; M112-Y115 PolarHBondContact O-N 2.96Å; M112-Y115 HydrophobicContact SD-CD2 4.38Å; M112-E119 WeakPolarHBondContact CE-O 3.3Å; M112-Y144 HydrophobicContact CB-CE1 3.77Å; M112-Y144 WeakPolarHBondContact CB-OH 3.36Å; M112-Y144 HydrophobicContact CE-CE1 4.24Å; M112-Y144 HydrophobicContact CG-CD1 4.48Å; M112-Y144 HydrophobicContact CG-CE1 3.63Å; M112-I169 HydrophobicContact SD-CB 4.46Å; M112-I169 HydrophobicContact SD-CG2 3.76Å
113T88.6Confident89.1Confident106 Ų10640.5 Ų40.565%0.6521%0.209SC*.THydrogen-bonded Turntrans-58.5-16.5170.353.10000113.9V109 E110 I111 Y115V109-T113 HydrophobicContact CG1-CG2 4.4Å; V109-T113 WeakPolarHBondContact O-CG2 3.35Å; V109-T113 PolarHBondContact O-N 3.01Å; V109-T113 VanDerWaalsContact O-N 3.14Å; V109-T113 PolarHBondContact O-OG1 3.32Å; E110-T113 PolarHBondContact O-OG1 2.82Å; I111-T113 VanDerWaalsContact C-N 3.32Å; I111-T113 PolarHBondContact O-N 3.33Å; T113-Y115 VanDerWaalsContact C-N 3.32Å
114K87.1Confident89.1Confident107 Ų10740.4 Ų40.447%0.46521%0.209SC..THydrogen-bonded Turntrans-85.7-4.8178.7-60.6163.8-170.1158.90112.7E110 I111 M112E110-K114 WeakPolarHBondContact O-CE 3.31Å; E110-K114 PolarHBondContact O-NZ 3.4Å; E110-K114 IonicContact OE1-NZ 2.6Å; E110-K114 PolarHBondContact OE1-NZ 3Å; I111-K114 WeakPolarHBondContact O-CB 3.3Å; I111-K114 PolarHBondContact O-N 2.86Å; M112-K114 PolarHBondContact O-N 3.36Å
115Y85.1Confident88.9Confident60 Ų6040.7 Ų40.724%0.23521%0.21CC..SBendtrans-127.3155.1-175.3-54.2-73000111.1I111 M112 T113 V168 K190I111-Y115 HydrophobicContact CG2-CE2 4.1Å; I111-Y115 WeakPolarHBondContact O-CD2 3.41Å; I111-Y115 WeakPolarHBondContact O-CE2 3.4Å; M112-Y115 PolarHBondContact O-N 2.96Å; M112-Y115 HydrophobicContact SD-CD2 4.38Å; T113-Y115 VanDerWaalsContact C-N 3.32Å; Y115-V168 HydrophobicContact CD1-CG1 3.6Å; Y115-V168 HydrophobicContact CD1-CG2 4.47Å; Y115-V168 HydrophobicContact CD2-CG1 3.67Å; Y115-V168 HydrophobicContact CE1-CG1 3.54Å; Y115-V168 HydrophobicContact CE2-CG1 3.61Å; Y115-V168 HydrophobicContact CG-CG1 3.67Å; Y115-K190 HydrophobicContact CE1-CB 4.04Å; Y115-K190 HydrophobicContact CE1-CG 3.87Å; Y115-K190 WeakPolarHBondContact OH-CB 3.34Å
116P75Confident88.5Confident81 Ų8141.2 Ų41.253%0.52622%0.215SC..  trans-59140.2-177.9-24.134.6000113.2S118 E119P116-S118 PolarHBondContact O-N 2.8Å; P116-S118 VanDerWaalsContact O-N 3.13Å; P116-E119 PolarHBondContact O-N 3.35Å
117E67.3Low88.1Confident144 Ų14445.8 Ų45.867%0.67323%0.232SC*.G310 helixtrans-63.3-21.2-177.8-67.9-159.2128.100114.5E119 R120E117-E119 PolarHBondContact O-N 3.34Å; E117-R120 WeakPolarHBondContact O-CG 3.43Å; E117-R120 IonicContact OE1-CZ 2.99Å; E117-R120 IonicContact OE1-NH2 3.41Å; E117-R120 PolarHBondContact OE1-NH2 3.42Å
118S59.4Low87.9Confident98 Ų9846.5 Ų46.569%0.68524%0.236SC*.G310 helixtrans-65-8.9178.552.70000113.7P116P116-S118 PolarHBondContact O-N 2.8Å; P116-S118 VanDerWaalsContact O-N 3.13Å
119E64.4Low87.8Confident66 Ų6646.8 Ų46.831%0.30824%0.238SC..G310 helixtrans-124.745.8-172.4-60.1-175.9163.900112.5M112 P116 E117 F121M112-E119 WeakPolarHBondContact CE-O 3.3Å; P116-E119 PolarHBondContact O-N 3.35Å; E117-E119 PolarHBondContact O-N 3.34Å; E119-F121 PolarHBondContact O-N 2.92Å
120R85.2Confident87.9Confident76 Ų7646.3 Ų46.329%0.28724%0.235SC..  trans-74.845.9175.6-72.1-177.7-179.2-132.55.9113.3E117 Y144 T145E117-R120 WeakPolarHBondContact O-CG 3.43Å; E117-R120 IonicContact OE1-CZ 2.99Å; E117-R120 IonicContact OE1-NH2 3.41Å; E117-R120 PolarHBondContact OE1-NH2 3.42Å; R120-Y144 HydrophobicContact CB-CD1 3.72Å; R120-Y144 HydrophobicContact CB-CE1 4.14Å; R120-Y144 HydrophobicContact CG-CD1 4.03Å; R120-Y144 HydrophobicContact CG-CE1 3.92Å; R120-T145 PolarHBondContact O-N 2.83Å
121F95.5Very high88.1Confident21 Ų2146.1 Ų46.19%0.09223%0.234CC..EExtended strand (participates in β ladder)trans-99.3134.4176.1-58.6-50.8000111.4E119 T145 V147 T165 L167 I242 F490E119-F121 PolarHBondContact O-N 2.92Å; F121-T145 CarbonylContact C-O 3.23Å; F121-T145 VanDerWaalsContact CA-O 3.3Å; F121-T145 WeakPolarHBondContact CA-O 3.32Å; F121-T145 HydrophobicContact CD1-CG2 3.95Å; F121-T145 HydrophobicContact CE1-CG2 3.98Å; F121-V147 HydrophobicContact CB-CG2 4.04Å; F121-V147 HydrophobicContact CD1-CG2 4.33Å; F121-V147 HydrophobicContact CG-CG2 4.32Å; F121-T165 WeakPolarHBondContact CD2-O 3.26Å; F121-L167 HydrophobicContact CB-CD2 3.66Å; F121-I242 HydrophobicContact CD1-CD1 3.94Å; F121-I242 HydrophobicContact CE1-CD1 3.4Å; F121-I242 VanDerWaalsContact CE1-CD1 3.4Å; F121-I242 HydrophobicContact CZ-CD1 3.87Å; F121-F490 HydrophobicContact CE1-CE2 4.5Å; F121-F490 HydrophobicContact CE2-CE1 4.38Å; F121-F490 HydrophobicContact CE2-CE2 4.06Å; F121-F490 AromaticContact CE2-CZ 3.53Å; F121-F490 HydrophobicContact CE2-CZ 3.53Å; F121-F490 AromaticContact CZ-CE2 3.57Å; F121-F490 HydrophobicContact CZ-CE2 3.57Å; F121-F490 AromaticContact CZ-CZ 3.55Å; F121-F490 HydrophobicContact CZ-CZ 3.55Å
122V97.9Very high88.3Confident1 Ų146.2 Ų46.21%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-118.1116.3172.5-1800000108.8L108 T135 Y144 T145 V146 V147 I169L108-V122 HydrophobicContact CD1-CG2 4.36Å; L108-V122 HydrophobicContact CD2-CG2 4.04Å; V122-T135 HydrophobicContact CG1-CG2 4.28Å; V122-Y144 HydrophobicContact CG2-CD1 4.39Å; V122-Y144 HydrophobicContact CG2-CG 4.31Å; V122-T145 PolarHBondContact N-O 3.08Å; V122-V146 WeakPolarHBondContact O-CA 3.39Å; V122-V147 PolarHBondContact O-N 3.34Å; V122-I169 HydrophobicContact CB-CG2 4.34Å; V122-I169 HydrophobicContact CG1-CG2 4.28Å; V122-I169 HydrophobicContact CG2-CG2 3.92Å
123G97.8Very high88.6Confident0 Ų045.7 Ų45.70%023%0.232CC..EExtended strand (participates in β ladder)trans-74.8140.317500000110.1V147 I169 L170 M171G123-V147 WeakPolarHBondContact CA-O 3.44Å; G123-I169 PolarHBondContact N-O 3Å; G123-L170 VanDerWaalsContact C-CD1 3.48Å; G123-L170 WeakPolarHBondContact O-CA 3.07Å; G123-M171 PolarHBondContact O-N 3.28Å
124V98.2Very high89Confident0 Ų040.8 Ų40.80%020%0.202CC..EExtended strand (participates in β ladder)trans-132.6122.7170.7-171.60000109.8W132 T135 V146 V147 L149 M171V124-W132 HydrophobicContact CB-CD2 4.32Å; V124-W132 HydrophobicContact CB-CH2 4.36Å; V124-W132 HydrophobicContact CB-CZ2 4.01Å; V124-W132 HydrophobicContact CG1-CB 4.44Å; V124-W132 HydrophobicContact CG1-CD2 3.29Å; V124-W132 VanDerWaalsContact CG1-CE2 3.43Å; V124-W132 HydrophobicContact CG1-CE3 3.56Å; V124-W132 HydrophobicContact CG1-CG 3.72Å; V124-W132 HydrophobicContact CG1-CH2 4.04Å; V124-W132 HydrophobicContact CG1-CZ2 3.82Å; V124-W132 HydrophobicContact CG1-CZ3 3.91Å; V124-W132 VanDerWaalsContact O-CH2 3.3Å; V124-W132 WeakPolarHBondContact O-CH2 3.34Å; V124-T135 HydrophobicContact CG2-CG2 3.74Å; V124-V146 HydrophobicContact CB-CG1 4.47Å; V124-V146 HydrophobicContact CG2-CG1 3.85Å; V124-V147 PolarHBondContact N-O 3.41Å; V124-L149 PolarHBondContact O-N 3.34Å; V124-M171 CarbonylContact C-O 3.26Å; V124-M171 WeakPolarHBondContact CA-O 3.19Å; V124-M171 HydrophobicContact CG1-CE 3.43Å; V124-M171 VanDerWaalsContact CG1-CE 3.43Å; V124-M171 HydrophobicContact CG1-SD 4.38Å
125Y95.3Very high89.6Confident7 Ų735.7 Ų35.73%0.02718%0.18CC..EExtended strand (participates in β ladder)trans-133.8131.2-171.1179.9-133.1000113.4L149 Y150 M158 M171 C172 H173 L177 I181Y125-L149 HydrophobicContact CD2-CB 3.66Å; Y125-L149 HydrophobicContact CG-CB 4.19Å; Y125-Y150 WeakPolarHBondContact CE2-O 3.31Å; Y125-M158 HydrophobicContact CD2-CE 4.35Å; Y125-M158 HydrophobicContact CE2-CE 3.94Å; Y125-M171 PolarHBondContact N-O 2.67Å; Y125-C172 CarbonylContact O-C 3.32Å; Y125-C172 WeakPolarHBondContact O-CA 2.98Å; Y125-H173 PolarHBondContact O-N 3.4Å; Y125-L177 HydrophobicContact CD1-CB 4.01Å; Y125-L177 HydrophobicContact CD1-CD1 4.47Å; Y125-L177 HydrophobicContact CE1-CB 3.7Å; Y125-L177 HydrophobicContact CE1-CD1 4.27Å; Y125-L177 HydrophobicContact CE1-CD2 3.84Å; Y125-L177 HydrophobicContact CE1-CG 4.14Å; Y125-I181 HydrophobicContact CD1-CD1 4.38Å; Y125-I181 HydrophobicContact CD1-CG1 4.06Å; Y125-I181 HydrophobicContact CE1-CD1 4.02Å; Y125-I181 HydrophobicContact CE1-CG1 3.86Å
126G89.9Confident90.3Very high11 Ų1132.9 Ų32.911%0.11317%0.169CC..SBendtrans131-149.6176.200000113.8W132G126-W132 VanDerWaalsContact O-CZ3 3.25Å; G126-W132 WeakPolarHBondContact O-CZ3 3.49Å
127R90.1Very high91.4Very high96 Ų9629 Ų2936%0.36214%0.144SC..SBendtrans-90.7159.1178.459179.8-94.5-163.3-5111.6S129 H173 L312 T313R127-S129 PolarHBondContact O-N 2.98Å; R127-H173 VanDerWaalsContact CD-NE2 3.32Å; R127-H173 WeakPolarHBondContact CD-NE2 3.28Å; R127-H173 WeakPolarHBondContact CG-CE1 3.42Å; R127-H173 WeakPolarHBondContact CG-ND1 3.48Å; R127-H173 WeakPolarHBondContact CG-NE2 3.44Å; R127-L312 PolarHBondContact NH2-O 2.96Å; R127-T313 VanDerWaalsContact CZ-O 3.25Å; R127-T313 PolarHBondContact NH1-O 3.08Å; R127-T313 PolarHBondContact NH2-O 3.38Å
128N94.3Very high92.9Very high15 Ų1522.1 Ų22.18%0.0811%0.112CC..  trans-57135172.2-60.119.5000110.4S286 L288 P289 F290 F311N128-S286 WeakPolarHBondContact CB-OG 3.36Å; N128-S286 PolarHBondContact ND2-OG 3.03Å; N128-L288 PolarHBondContact ND2-O 3.4Å; N128-P289 WeakPolarHBondContact OD1-CA 3.32Å; N128-F290 HydrophobicContact CB-CD2 3.63Å; N128-F290 HydrophobicContact CB-CE2 3.68Å; N128-F290 PolarHBondContact OD1-N 3.46Å; N128-F311 HydrophobicContact CB-CD1 3.83Å; N128-F311 HydrophobicContact CB-CE1 4.13Å
129S95.9Very high94.8Very high6 Ų617.5 Ų17.54%0.0428%0.079CC..  trans-156.6165.6177.473.60000110.9R127 Q131 W132 F133R127-S129 PolarHBondContact O-N 2.98Å; S129-Q131 PolarHBondContact O-N 3.41Å; S129-Q131 PolarHBondContact OG-N 3.01Å; S129-Q131 PolarHBondContact OG-OE1 3.15Å; S129-Q131 VanDerWaalsContact OG-OE1 3.11Å; S129-W132 WeakPolarHBondContact O-CB 3.29Å; S129-W132 PolarHBondContact O-N 2.83Å; S129-W132 PolarHBondContact OG-N 2.82Å; S129-W132 VanDerWaalsContact OG-N 3.11Å; S129-F133 PolarHBondContact O-N 3.47Å; S129-F133 VanDerWaalsContact O-N 3.11Å
130P98.1Very high96.4Very high13 Ų1314.3 Ų14.38%0.0846%0.064CC..Hα-helixtrans-55.2-37.7170.3-25.534.5000112.7L79 F133 I134 F311L79-P130 HydrophobicContact CB-CB 4.27Å; L79-P130 HydrophobicContact CD1-CB 4.13Å; P130-F133 PolarHBondContact O-N 3.04Å; P130-I134 WeakPolarHBondContact O-CB 3.46Å; P130-I134 WeakPolarHBondContact O-CD1 3.35Å; P130-I134 VanDerWaalsContact O-CG1 3.24Å; P130-I134 WeakPolarHBondContact O-CG1 3.33Å; P130-I134 PolarHBondContact O-N 3.03Å; P130-F311 HydrophobicContact CB-CE2 4.27Å; P130-F311 VanDerWaalsContact CD-CD2 3.5Å; P130-F311 HydrophobicContact CG-CD2 3.65Å; P130-F311 HydrophobicContact CG-CE2 3.83Å
131Q98.1Very high97Very high47 Ų4710.7 Ų10.722%0.225%0.051CC..Hα-helixtrans-64.1-43.9177.9-63.678.55.300111.4S129 F133 I134 T135 A195 F217S129-Q131 PolarHBondContact O-N 3.41Å; S129-Q131 PolarHBondContact OG-N 3.01Å; S129-Q131 PolarHBondContact OG-OE1 3.15Å; S129-Q131 VanDerWaalsContact OG-OE1 3.11Å; Q131-F133 VanDerWaalsContact C-N 3.34Å; Q131-F133 PolarHBondContact O-N 3.48Å; Q131-I134 PolarHBondContact O-N 3.32Å; Q131-T135 WeakPolarHBondContact O-CB 3.44Å; Q131-T135 PolarHBondContact O-N 2.9Å; Q131-T135 PolarHBondContact O-OG1 2.87Å; Q131-A195 HydrophobicContact CB-CB 3.76Å; Q131-A195 HydrophobicContact CG-CB 3.99Å; Q131-F217 HydrophobicContact CB-CD1 4.33Å; Q131-F217 HydrophobicContact CB-CD2 3.77Å; Q131-F217 HydrophobicContact CB-CE1 4.18Å; Q131-F217 HydrophobicContact CB-CE2 3.62Å; Q131-F217 HydrophobicContact CB-CG 4.13Å; Q131-F217 HydrophobicContact CB-CZ 3.84Å; Q131-F217 HydrophobicContact CG-CB 4.29Å; Q131-F217 HydrophobicContact CG-CD1 3.59Å; Q131-F217 HydrophobicContact CG-CD2 3.83Å; Q131-F217 HydrophobicContact CG-CE1 3.73Å; Q131-F217 HydrophobicContact CG-CE2 3.98Å; Q131-F217 HydrophobicContact CG-CG 3.63Å; Q131-F217 HydrophobicContact CG-CZ 3.94Å
132W97.8Very high97.1Very high3 Ų39.7 Ų9.71%0.0115%0.046CC..Hα-helixtrans-55.8-52173-172.8-52.7000110.7V124 G126 S129 I134 T135 Q136 P148 M171 F290V124-W132 HydrophobicContact CB-CD2 4.32Å; V124-W132 HydrophobicContact CB-CH2 4.36Å; V124-W132 HydrophobicContact CB-CZ2 4.01Å; V124-W132 HydrophobicContact CG1-CB 4.44Å; V124-W132 HydrophobicContact CG1-CD2 3.29Å; V124-W132 VanDerWaalsContact CG1-CE2 3.43Å; V124-W132 HydrophobicContact CG1-CE3 3.56Å; V124-W132 HydrophobicContact CG1-CG 3.72Å; V124-W132 HydrophobicContact CG1-CH2 4.04Å; V124-W132 HydrophobicContact CG1-CZ2 3.82Å; V124-W132 HydrophobicContact CG1-CZ3 3.91Å; V124-W132 VanDerWaalsContact O-CH2 3.3Å; V124-W132 WeakPolarHBondContact O-CH2 3.34Å; G126-W132 VanDerWaalsContact O-CZ3 3.25Å; G126-W132 WeakPolarHBondContact O-CZ3 3.49Å; S129-W132 WeakPolarHBondContact O-CB 3.29Å; S129-W132 PolarHBondContact O-N 2.83Å; S129-W132 PolarHBondContact OG-N 2.82Å; S129-W132 VanDerWaalsContact OG-N 3.11Å; W132-I134 VanDerWaalsContact C-N 3.34Å; W132-I134 PolarHBondContact O-N 2.91Å; W132-T135 PolarHBondContact O-N 2.9Å; W132-Q136 WeakPolarHBondContact O-CB 3.3Å; W132-Q136 PolarHBondContact O-N 2.94Å; W132-P148 HydrophobicContact CH2-CB 4.41Å; W132-P148 HydrophobicContact CZ2-CB 3.68Å; W132-M171 HydrophobicContact CB-CE 4.1Å; W132-F290 HydrophobicContact CB-CD2 4.21Å; W132-F290 HydrophobicContact CB-CE2 4.35Å; W132-F290 AromaticContact CD1-CD2 3.51Å; W132-F290 AromaticContact CD1-CG 3.88Å; W132-F290 HydrophobicContact CD2-CB 4.16Å; W132-F290 AromaticContact CD2-CD2 3.96Å; W132-F290 HydrophobicContact CD2-CD2 3.96Å; W132-F290 HydrophobicContact CD2-CG 4.48Å; W132-F290 AromaticContact CG-CD2 3.64Å; W132-F290 HydrophobicContact CG-CD2 3.64Å; W132-F290 HydrophobicContact CG-CE2 4.19Å; W132-F290 HydrophobicContact CG-CG 4.37Å; W132-F290 HydrophobicContact CZ2-CB 3.75Å; W132-F290 AromaticContact NE1-CD2 3.83Å; W132-F290 AromaticContact NE1-CG 3.78Å
133F98.7Very high97Very high1 Ų111.1 Ų11.10%0.0046%0.056CC..Hα-helixtrans-57.4-48-178.9-176.7-78.8000111.5F66 L79 V97 S129 P130 Q131 Q136 Y137 F290 V303 I309 F311F66-F133 HydrophobicContact CD2-CE1 4.45Å; F66-F133 HydrophobicContact CE2-CE1 4.24Å; L79-F133 HydrophobicContact CD1-CB 4Å; L79-F133 HydrophobicContact CD1-CD1 3.48Å; L79-F133 VanDerWaalsContact CD1-CD1 3.48Å; L79-F133 HydrophobicContact CD1-CE1 4.21Å; L79-F133 HydrophobicContact CD1-CG 3.88Å; L79-F133 HydrophobicContact CD2-CB 4.48Å; L79-F133 HydrophobicContact CD2-CD1 3.89Å; L79-F133 HydrophobicContact CD2-CD2 4.13Å; L79-F133 HydrophobicContact CD2-CE1 4.14Å; L79-F133 HydrophobicContact CD2-CE2 4.36Å; L79-F133 HydrophobicContact CD2-CG 3.89Å; L79-F133 HydrophobicContact CD2-CZ 4.37Å; L79-F133 HydrophobicContact CG-CD1 4.25Å; V97-F133 HydrophobicContact CG1-CD1 4.38Å; V97-F133 HydrophobicContact CG1-CE1 4.13Å; S129-F133 PolarHBondContact O-N 3.47Å; S129-F133 VanDerWaalsContact O-N 3.11Å; P130-F133 PolarHBondContact O-N 3.04Å; Q131-F133 VanDerWaalsContact C-N 3.34Å; Q131-F133 PolarHBondContact O-N 3.48Å; F133-Q136 PolarHBondContact O-N 3.15Å; F133-Y137 AromaticContact CD1-CD2 3.97Å; F133-Y137 HydrophobicContact CD1-CD2 3.97Å; F133-Y137 HydrophobicContact CD2-CD2 4.18Å; F133-Y137 HydrophobicContact CD2-CE2 4.04Å; F133-Y137 AromaticContact CE1-CD2 3.57Å; F133-Y137 HydrophobicContact CE1-CD2 3.57Å; F133-Y137 AromaticContact CE1-CE2 3.93Å; F133-Y137 HydrophobicContact CE1-CE2 3.93Å; F133-Y137 HydrophobicContact CE1-CG 4.06Å; F133-Y137 AromaticContact CE2-CD2 3.8Å; F133-Y137 HydrophobicContact CE2-CD2 3.8Å; F133-Y137 AromaticContact CE2-CE2 3.36Å; F133-Y137 HydrophobicContact CE2-CE2 3.36Å; F133-Y137 HydrophobicContact CG-CD2 4.26Å; F133-Y137 AromaticContact CZ-CD2 3.46Å; F133-Y137 HydrophobicContact CZ-CD2 3.46Å; F133-Y137 VanDerWaalsContact CZ-CD2 3.46Å; F133-Y137 AromaticContact CZ-CE2 3.29Å; F133-Y137 HydrophobicContact CZ-CE2 3.29Å; F133-Y137 HydrophobicContact CZ-CG 4.18Å; F133-Y137 AromaticContact CZ-CZ 3.88Å; F133-Y137 PolarHBondContact O-N 2.93Å; F133-F290 HydrophobicContact CB-CZ 4.49Å; F133-F290 HydrophobicContact CD2-CZ 4.21Å; F133-V303 HydrophobicContact CE2-CG2 3.63Å; F133-V303 HydrophobicContact CZ-CG1 4.37Å; F133-V303 HydrophobicContact CZ-CG2 3.45Å; F133-V303 VanDerWaalsContact CZ-CG2 3.45Å; F133-I309 HydrophobicContact CD2-CD1 4.22Å; F133-I309 HydrophobicContact CE2-CD1 3.8Å; F133-F311 HydrophobicContact CB-CZ 4.11Å
134I98.9Very high97Very high3 Ų311.4 Ų11.42%0.0156%0.057CC..Hα-helixtrans-62.9-47.8179.6-69.8161.6000111L79 I92 V97 K100 I101 F104 P130 Q131 W132 Q136 Y137 A138 F217L79-I134 HydrophobicContact CD1-CD1 4.42Å; L79-I134 HydrophobicContact CD1-CG1 4.12Å; I92-I134 HydrophobicContact CD1-CD1 4.1Å; V97-I134 HydrophobicContact CG1-CG1 4.23Å; K100-I134 HydrophobicContact CB-CD1 4.03Å; K100-I134 HydrophobicContact CB-CG1 4.46Å; K100-I134 HydrophobicContact CB-CG2 3.9Å; K100-I134 HydrophobicContact CD-CD1 3.74Å; I101-I134 HydrophobicContact CG1-CG2 4.3Å; F104-I134 HydrophobicContact CB-CG2 4.4Å; P130-I134 WeakPolarHBondContact O-CB 3.46Å; P130-I134 WeakPolarHBondContact O-CD1 3.35Å; P130-I134 VanDerWaalsContact O-CG1 3.24Å; P130-I134 WeakPolarHBondContact O-CG1 3.33Å; P130-I134 PolarHBondContact O-N 3.03Å; Q131-I134 PolarHBondContact O-N 3.32Å; W132-I134 VanDerWaalsContact C-N 3.34Å; W132-I134 PolarHBondContact O-N 2.91Å; I134-Q136 VanDerWaalsContact C-N 3.28Å; I134-Q136 PolarHBondContact O-N 3.09Å; I134-Y137 PolarHBondContact O-N 2.87Å; I134-A138 WeakPolarHBondContact O-CB 3.41Å; I134-A138 PolarHBondContact O-N 2.85Å; I134-F217 HydrophobicContact CB-CZ 4.05Å; I134-F217 HydrophobicContact CD1-CZ 4.48Å; I134-F217 HydrophobicContact CG2-CZ 3.85Å
135T98.8Very high96.9Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-55-46.8175.9-65.50000110.8F104 V122 V124 Q131 W132 A138 C139 M171F104-T135 HydrophobicContact CE1-CG2 3.67Å; F104-T135 WeakPolarHBondContact CE2-OG1 3.35Å; F104-T135 HydrophobicContact CZ-CG2 3.65Å; F104-T135 VanDerWaalsContact CZ-OG1 3.31Å; F104-T135 WeakPolarHBondContact CZ-OG1 3.37Å; V122-T135 HydrophobicContact CG1-CG2 4.28Å; V124-T135 HydrophobicContact CG2-CG2 3.74Å; Q131-T135 WeakPolarHBondContact O-CB 3.44Å; Q131-T135 PolarHBondContact O-N 2.9Å; Q131-T135 PolarHBondContact O-OG1 2.87Å; W132-T135 PolarHBondContact O-N 2.9Å; T135-A138 PolarHBondContact O-N 3.07Å; T135-C139 PolarHBondContact O-N 2.99Å; T135-C139 PolarHBondContact O-SG 3.33Å; T135-M171 HydrophobicContact CG2-CB 4.09Å; T135-M171 HydrophobicContact CG2-CE 4.34Å; T135-M171 HydrophobicContact CG2-CG 4.45Å; T135-M171 WeakPolarHBondContact OG1-CE 3.35Å
136Q98.7Very high97.1Very high1 Ų111.8 Ų11.81%0.0056%0.06CC..Hα-helixtrans-64.9-48.4-177.5-175.7179.4-59.100111.8W132 F133 I134 A138 C139 F140 V146W132-Q136 WeakPolarHBondContact O-CB 3.3Å; W132-Q136 PolarHBondContact O-N 2.94Å; F133-Q136 PolarHBondContact O-N 3.15Å; I134-Q136 VanDerWaalsContact C-N 3.28Å; I134-Q136 PolarHBondContact O-N 3.09Å; Q136-A138 VanDerWaalsContact C-N 3.33Å; Q136-A138 PolarHBondContact O-N 3.44Å; Q136-C139 WeakPolarHBondContact O-CB 3.46Å; Q136-C139 PolarHBondContact O-N 3.45Å; Q136-F140 HydrophobicContact CG-CD2 4.44Å; Q136-F140 HydrophobicContact CG-CE1 3.87Å; Q136-F140 HydrophobicContact CG-CE2 3.74Å; Q136-F140 HydrophobicContact CG-CZ 3.42Å; Q136-F140 VanDerWaalsContact CG-CZ 3.42Å; Q136-F140 VanDerWaalsContact NE2-CZ 3.3Å; Q136-F140 WeakPolarHBondContact O-CD1 3.5Å; Q136-F140 VanDerWaalsContact O-CG 3.3Å; Q136-F140 WeakPolarHBondContact O-CG 3.42Å; Q136-F140 PolarHBondContact O-N 2.94Å; Q136-V146 HydrophobicContact CG-CG1 4.43Å; Q136-V146 HydrophobicContact CG-CG2 4.13Å
137Y98.8Very high97.4Very high0 Ų011.2 Ų11.20%06%0.055CC..Hα-helixtrans-72.2-25.6178.5-85.4-95.3000113.1L65 F66 F133 I134 F140 C141 S300L65-Y137 HydrophobicContact CD2-CE1 4.19Å; L65-Y137 WeakPolarHBondContact CD2-OH 3.5Å; F66-Y137 HydrophobicContact CB-CD1 3.62Å; F66-Y137 HydrophobicContact CB-CE1 3.68Å; F66-Y137 HydrophobicContact CD2-CD1 4.03Å; F66-Y137 HydrophobicContact CD2-CE1 4.24Å; F66-Y137 AromaticContact CG-CD1 3.97Å; F66-Y137 HydrophobicContact CG-CD1 3.97Å; F66-Y137 HydrophobicContact CG-CE1 4.31Å; F133-Y137 AromaticContact CD1-CD2 3.97Å; F133-Y137 HydrophobicContact CD1-CD2 3.97Å; F133-Y137 HydrophobicContact CD2-CD2 4.18Å; F133-Y137 HydrophobicContact CD2-CE2 4.04Å; F133-Y137 AromaticContact CE1-CD2 3.57Å; F133-Y137 HydrophobicContact CE1-CD2 3.57Å; F133-Y137 AromaticContact CE1-CE2 3.93Å; F133-Y137 HydrophobicContact CE1-CE2 3.93Å; F133-Y137 HydrophobicContact CE1-CG 4.06Å; F133-Y137 AromaticContact CE2-CD2 3.8Å; F133-Y137 HydrophobicContact CE2-CD2 3.8Å; F133-Y137 AromaticContact CE2-CE2 3.36Å; F133-Y137 HydrophobicContact CE2-CE2 3.36Å; F133-Y137 HydrophobicContact CG-CD2 4.26Å; F133-Y137 AromaticContact CZ-CD2 3.46Å; F133-Y137 HydrophobicContact CZ-CD2 3.46Å; F133-Y137 VanDerWaalsContact CZ-CD2 3.46Å; F133-Y137 AromaticContact CZ-CE2 3.29Å; F133-Y137 HydrophobicContact CZ-CE2 3.29Å; F133-Y137 HydrophobicContact CZ-CG 4.18Å; F133-Y137 AromaticContact CZ-CZ 3.88Å; F133-Y137 PolarHBondContact O-N 2.93Å; I134-Y137 PolarHBondContact O-N 2.87Å; Y137-F140 AromaticContact CD1-CD2 3.94Å; Y137-F140 HydrophobicContact CD1-CD2 3.94Å; Y137-F140 HydrophobicContact CD2-CD2 4.32Å; Y137-F140 HydrophobicContact CD2-CE2 4.41Å; Y137-F140 HydrophobicContact CE1-CD2 4.15Å; Y137-F140 HydrophobicContact CE2-CD2 4.5Å; Y137-F140 HydrophobicContact CE2-CE2 4.31Å; Y137-F140 HydrophobicContact CG-CD2 4.06Å; Y137-F140 PolarHBondContact O-N 2.93Å; Y137-C141 WeakPolarHBondContact O-CB 3.42Å; Y137-C141 PolarHBondContact O-N 2.81Å; Y137-C141 PolarHBondContact O-SG 3.48Å; Y137-S300 PolarHBondContact OH-OG 3.26Å
138A98.9Very high97.8Very high0 Ų06.7 Ų6.70%04%0.038CC..Hα-helixtrans-62.8-44.7166.300000111.3I101 F104 I134 T135 Q136 F140 C141 Y142I101-A138 HydrophobicContact CG2-CB 4.43Å; F104-A138 HydrophobicContact CB-CB 3.88Å; F104-A138 HydrophobicContact CD1-CB 3.68Å; F104-A138 HydrophobicContact CG-CB 4.14Å; I134-A138 WeakPolarHBondContact O-CB 3.41Å; I134-A138 PolarHBondContact O-N 2.85Å; T135-A138 PolarHBondContact O-N 3.07Å; Q136-A138 VanDerWaalsContact C-N 3.33Å; Q136-A138 PolarHBondContact O-N 3.44Å; A138-F140 VanDerWaalsContact C-N 3.32Å; A138-F140 PolarHBondContact O-N 3.41Å; A138-C141 PolarHBondContact O-N 2.87Å; A138-Y142 WeakPolarHBondContact O-CB 3.35Å; A138-Y142 VanDerWaalsContact O-CD2 3.31Å; A138-Y142 WeakPolarHBondContact O-CD2 3.48Å; A138-Y142 PolarHBondContact O-N 2.76Å; A138-Y142 VanDerWaalsContact O-N 3.14Å
139C98.6Very high97.6Very high0 Ų06 Ų60%03%0.034CC..Hα-helixtrans-59.4-45.1174-64.60000111.3T135 Q136 C141 Y142 S143 Y144 V146T135-C139 PolarHBondContact O-N 2.99Å; T135-C139 PolarHBondContact O-SG 3.33Å; Q136-C139 WeakPolarHBondContact O-CB 3.46Å; Q136-C139 PolarHBondContact O-N 3.45Å; C139-C141 VanDerWaalsContact C-N 3.34Å; C139-C141 PolarHBondContact O-N 3.28Å; C139-Y142 CarbonylContact O-C 3.6Å; C139-Y142 PolarHBondContact O-N 3.19Å; C139-S143 PolarHBondContact O-N 3.05Å; C139-S143 VanDerWaalsContact O-N 3.1Å; C139-Y144 CarbonylContact C-O 3.45Å; C139-Y144 PolarHBondContact O-N 2.98Å; C139-V146 HydrophobicContact CB-CG2 3.31Å
140F98.4Very high96.7Very high0 Ų06.8 Ų6.80%04%0.036CC..Hα-helixtrans-61.5-37.7177.3-61.4-15.1000113.3M62 Q136 Y137 A138 Y142 V146 P234 C240 L241M62-F140 HydrophobicContact CB-CB 4.06Å; M62-F140 HydrophobicContact CB-CD2 3.43Å; M62-F140 VanDerWaalsContact CB-CD2 3.43Å; M62-F140 HydrophobicContact CB-CE2 3.94Å; M62-F140 HydrophobicContact CB-CG 3.85Å; M62-F140 HydrophobicContact CE-CE2 4.18Å; M62-F140 HydrophobicContact CG-CD2 4.07Å; M62-F140 HydrophobicContact CG-CE2 4.08Å; Q136-F140 HydrophobicContact CG-CD2 4.44Å; Q136-F140 HydrophobicContact CG-CE1 3.87Å; Q136-F140 HydrophobicContact CG-CE2 3.74Å; Q136-F140 HydrophobicContact CG-CZ 3.42Å; Q136-F140 VanDerWaalsContact CG-CZ 3.42Å; Q136-F140 VanDerWaalsContact NE2-CZ 3.3Å; Q136-F140 WeakPolarHBondContact O-CD1 3.5Å; Q136-F140 VanDerWaalsContact O-CG 3.3Å; Q136-F140 WeakPolarHBondContact O-CG 3.42Å; Q136-F140 PolarHBondContact O-N 2.94Å; Y137-F140 AromaticContact CD1-CD2 3.94Å; Y137-F140 HydrophobicContact CD1-CD2 3.94Å; Y137-F140 HydrophobicContact CD2-CD2 4.32Å; Y137-F140 HydrophobicContact CD2-CE2 4.41Å; Y137-F140 HydrophobicContact CE1-CD2 4.15Å; Y137-F140 HydrophobicContact CE2-CD2 4.5Å; Y137-F140 HydrophobicContact CE2-CE2 4.31Å; Y137-F140 HydrophobicContact CG-CD2 4.06Å; Y137-F140 PolarHBondContact O-N 2.93Å; A138-F140 VanDerWaalsContact C-N 3.32Å; A138-F140 PolarHBondContact O-N 3.41Å; F140-Y142 VanDerWaalsContact C-N 3.31Å; F140-Y142 PolarHBondContact O-N 3.27Å; F140-V146 HydrophobicContact CE1-CG2 4.2Å; F140-P234 WeakPolarHBondContact O-CD 3.32Å; F140-P234 WeakPolarHBondContact O-CG 3.38Å; F140-C240 HydrophobicContact CD1-CB 3.84Å; F140-C240 HydrophobicContact CE1-CB 3.66Å; F140-C240 WeakPolarHBondContact CE1-O 3.47Å; F140-C240 HydrophobicContact CZ-CB 4.38Å; F140-L241 HydrophobicContact CE1-CD2 4.39Å; F140-L241 HydrophobicContact CE1-CG 4.35Å; F140-L241 HydrophobicContact CZ-CD2 4.32Å; F140-L241 HydrophobicContact CZ-CG 4.3Å
141C98.6Very high95.1Very high0 Ų09.1 Ų9.10%06%0.057CC..Hα-helixtrans-79.3-11.4179.9-66.50000114.1M63 I101 Y137 A138 C139 K231 I232M63-C141 HydrophobicContact CG-CB 4.47Å; M63-C141 HydrophobicContact SD-CB 4.26Å; I101-C141 HydrophobicContact CG2-CB 4.11Å; Y137-C141 WeakPolarHBondContact O-CB 3.42Å; Y137-C141 PolarHBondContact O-N 2.81Å; Y137-C141 PolarHBondContact O-SG 3.48Å; A138-C141 PolarHBondContact O-N 2.87Å; C139-C141 VanDerWaalsContact C-N 3.34Å; C139-C141 PolarHBondContact O-N 3.28Å; C141-K231 HydrophobicContact CB-CD 4.08Å; C141-K231 HydrophobicContact CB-CG 4.11Å; C141-K231 WeakPolarHBondContact O-CB 3.17Å; C141-I232 CarbonylContact O-C 3.58Å; C141-I232 PolarHBondContact O-N 3.07Å
142Y97.6Very high93.6Very high0 Ų011.1 Ų11.10%07%0.073CC..THydrogen-bonded Turntrans-124.818.8-176.1-73.7-100.4000112.8Q102 S106 V109 A138 C139 F140 Y144 K229 P230 K231 I232Q102-Y142 WeakPolarHBondContact CG-OH 3.33Å; Q102-Y142 PolarHBondContact O-OH 3.43Å; S106-Y142 PolarHBondContact OG-OH 3.18Å; V109-Y142 HydrophobicContact CG2-CD1 3.64Å; V109-Y142 HydrophobicContact CG2-CE1 4.15Å; A138-Y142 WeakPolarHBondContact O-CB 3.35Å; A138-Y142 VanDerWaalsContact O-CD2 3.31Å; A138-Y142 WeakPolarHBondContact O-CD2 3.48Å; A138-Y142 PolarHBondContact O-N 2.76Å; A138-Y142 VanDerWaalsContact O-N 3.14Å; C139-Y142 CarbonylContact O-C 3.6Å; C139-Y142 PolarHBondContact O-N 3.19Å; F140-Y142 VanDerWaalsContact C-N 3.31Å; F140-Y142 PolarHBondContact O-N 3.27Å; Y142-Y144 VanDerWaalsContact C-N 3.35Å; Y142-Y144 WeakPolarHBondContact O-CD2 3.21Å; Y142-Y144 WeakPolarHBondContact O-CE2 3.43Å; Y142-Y144 PolarHBondContact O-N 3.47Å; Y142-K229 HydrophobicContact CE1-CB 4.24Å; Y142-K229 PolarHBondContact OH-O 3.46Å; Y142-P230 WeakPolarHBondContact CE1-O 3.21Å; Y142-K231 HydrophobicContact CD2-CG 4.4Å; Y142-K231 HydrophobicContact CE2-CB 4.41Å; Y142-K231 HydrophobicContact CE2-CG 3.71Å; Y142-I232 CarbonylContact C-O 3.24Å; Y142-I232 WeakPolarHBondContact CA-O 3.27Å; Y142-I232 HydrophobicContact CD1-CD1 4.36Å; Y142-I232 HydrophobicContact CD1-CG1 4.16Å
143S96.1Very high92.3Very high31 Ų3112 Ų1222%0.2178%0.077CC..THydrogen-bonded Turntrans57.242.4176.4-56.80000114C139 I232 P233 P234C139-S143 PolarHBondContact O-N 3.05Å; C139-S143 VanDerWaalsContact O-N 3.1Å; S143-I232 PolarHBondContact N-O 3Å; S143-I232 PolarHBondContact OG-O 2.6Å; S143-P233 PolarHBondContact OG-O 3.33Å; S143-P234 VanDerWaalsContact OG-CA 3.26Å; S143-P234 WeakPolarHBondContact OG-CA 3.4Å
144Y97.1Very high90.9Very high5 Ų513.4 Ų13.42%0.029%0.092CC..  trans-106.7143.4167.6-64.3-81.8000110.3L108 M112 R120 V122 C139 Y142L108-Y144 HydrophobicContact CB-CD2 4.42Å; L108-Y144 HydrophobicContact CB-CE2 3.88Å; L108-Y144 HydrophobicContact CD1-CD2 4.01Å; L108-Y144 HydrophobicContact CD1-CE2 4.3Å; M112-Y144 HydrophobicContact CB-CE1 3.77Å; M112-Y144 WeakPolarHBondContact CB-OH 3.36Å; M112-Y144 HydrophobicContact CE-CE1 4.24Å; M112-Y144 HydrophobicContact CG-CD1 4.48Å; M112-Y144 HydrophobicContact CG-CE1 3.63Å; R120-Y144 HydrophobicContact CB-CD1 3.72Å; R120-Y144 HydrophobicContact CB-CE1 4.14Å; R120-Y144 HydrophobicContact CG-CD1 4.03Å; R120-Y144 HydrophobicContact CG-CE1 3.92Å; V122-Y144 HydrophobicContact CG2-CD1 4.39Å; V122-Y144 HydrophobicContact CG2-CG 4.31Å; C139-Y144 CarbonylContact C-O 3.45Å; C139-Y144 PolarHBondContact O-N 2.98Å; Y142-Y144 VanDerWaalsContact C-N 3.35Å; Y142-Y144 WeakPolarHBondContact O-CD2 3.21Å; Y142-Y144 WeakPolarHBondContact O-CE2 3.43Å; Y142-Y144 PolarHBondContact O-N 3.47Å
145T96.7Very high90.1Very high15 Ų1516.5 Ų16.59%0.09211%0.108CC..EExtended strand (participates in β ladder)trans-92.9128.4177.1-56.50000109.8R120 F121 V122 L239 I242R120-T145 PolarHBondContact O-N 2.83Å; F121-T145 CarbonylContact C-O 3.23Å; F121-T145 VanDerWaalsContact CA-O 3.3Å; F121-T145 WeakPolarHBondContact CA-O 3.32Å; F121-T145 HydrophobicContact CD1-CG2 3.95Å; F121-T145 HydrophobicContact CE1-CG2 3.98Å; V122-T145 PolarHBondContact N-O 3.08Å; T145-L239 HydrophobicContact CG2-CB 3.8Å; T145-L239 WeakPolarHBondContact OG1-CB 3.44Å; T145-L239 PolarHBondContact OG1-O 2.96Å; T145-I242 HydrophobicContact CG2-CD1 4.07Å; T145-I242 HydrophobicContact CG2-CG1 3.79Å
146V98.5Very high89.2Confident0 Ų021 Ų210%014%0.138CC..EExtended strand (participates in β ladder)trans-88.9133.4-178.4177.90000110.3V122 V124 Q136 C139 F140 P148 C240 L241 I242V122-V146 WeakPolarHBondContact O-CA 3.39Å; V124-V146 HydrophobicContact CB-CG1 4.47Å; V124-V146 HydrophobicContact CG2-CG1 3.85Å; Q136-V146 HydrophobicContact CG-CG1 4.43Å; Q136-V146 HydrophobicContact CG-CG2 4.13Å; C139-V146 HydrophobicContact CB-CG2 3.31Å; F140-V146 HydrophobicContact CE1-CG2 4.2Å; V146-P148 VanDerWaalsContact O-CD 3.29Å; V146-P148 WeakPolarHBondContact O-CD 3.39Å; V146-C240 PolarHBondContact N-O 3.44Å; V146-L241 HydrophobicContact CB-CD2 3.88Å; V146-L241 HydrophobicContact CG1-CD2 4.18Å; V146-L241 CarbonylContact O-C 3.6Å; V146-L241 WeakPolarHBondContact O-CA 3.14Å; V146-I242 PolarHBondContact O-N 3.34Å
147V97.8Very high88.4Confident0 Ų022.3 Ų22.30%015%0.146CC..EExtended strand (participates in β ladder)trans-10991.4171.8-1750000107.8F121 V122 G123 V124 L149 I161 T165 L167 I242 Y244F121-V147 HydrophobicContact CB-CG2 4.04Å; F121-V147 HydrophobicContact CD1-CG2 4.33Å; F121-V147 HydrophobicContact CG-CG2 4.32Å; V122-V147 PolarHBondContact O-N 3.34Å; G123-V147 WeakPolarHBondContact CA-O 3.44Å; V124-V147 PolarHBondContact N-O 3.41Å; V147-L149 HydrophobicContact CG1-CD2 4.01Å; V147-I161 HydrophobicContact CG1-CG2 3.96Å; V147-T165 HydrophobicContact CG1-CG2 4.13Å; V147-T165 HydrophobicContact CG2-CG2 4.11Å; V147-L167 HydrophobicContact CB-CD1 4.35Å; V147-L167 HydrophobicContact CB-CD2 4.46Å; V147-L167 HydrophobicContact CG1-CD1 4.42Å; V147-L167 HydrophobicContact CG2-CD2 4.26Å; V147-I242 HydrophobicContact CG2-CB 4.4Å; V147-Y244 HydrophobicContact CG1-CD2 4.3Å; V147-Y244 HydrophobicContact CG1-CE2 4.08Å
148P96.7Very high87.8Confident1 Ų122.5 Ų22.51%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-77.2130.4-179.633.5-36.5000111W132 V146 L241 I242 A291W132-P148 HydrophobicContact CH2-CB 4.41Å; W132-P148 HydrophobicContact CZ2-CB 3.68Å; V146-P148 VanDerWaalsContact O-CD 3.29Å; V146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-L241 HydrophobicContact CG-CD2 4.34Å; P148-I242 WeakPolarHBondContact CD-O 3.48Å; P148-A291 HydrophobicContact CB-CB 3.88Å; P148-A291 HydrophobicContact CG-CB 4.36Å
149L91.3Very high87.4Confident1 Ų124.1 Ų24.11%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-111.9131.5-175.9-56.8179.6000110.7V124 Y125 V147 L153 M158 I161 L170V124-L149 PolarHBondContact O-N 3.34Å; Y125-L149 HydrophobicContact CD2-CB 3.66Å; Y125-L149 HydrophobicContact CG-CB 4.19Å; V147-L149 HydrophobicContact CG1-CD2 4.01Å; L149-L153 HydrophobicContact CB-CD1 4.24Å; L149-L153 HydrophobicContact CD2-CD1 4.26Å; L149-M158 HydrophobicContact CB-CE 4.44Å; L149-M158 HydrophobicContact CD1-SD 4.04Å; L149-I161 HydrophobicContact CD2-CB 4.43Å; L149-I161 HydrophobicContact CD2-CD1 4.16Å; L149-I161 HydrophobicContact CD2-CG2 3.59Å; L149-L170 HydrophobicContact CD1-CD1 4.05Å
150Y76.7Confident87.1Confident21 Ų2125.8 Ų25.88%0.08216%0.162CC..  trans-82.7144.7178.7-40.7-104000111.4Y125 T152 L153 Y244 A291 H292Y125-Y150 WeakPolarHBondContact CE2-O 3.31Å; Y150-T152 PolarHBondContact O-N 3.18Å; Y150-L153 HydrophobicContact CD2-CD1 4.04Å; Y150-L153 HydrophobicContact CD2-CD2 3.62Å; Y150-L153 HydrophobicContact CD2-CG 3.75Å; Y150-L153 HydrophobicContact CE2-CD2 4.31Å; Y150-L153 HydrophobicContact CG-CD2 4.48Å; Y150-L153 HydrophobicContact CG-CG 4.34Å; Y150-L153 WeakPolarHBondContact O-CG 3.07Å; Y150-L153 PolarHBondContact O-N 3.01Å; Y150-Y244 VanDerWaalsContact CE2-O 3.3Å; Y150-Y244 WeakPolarHBondContact CE2-O 3.26Å; Y150-Y244 PolarHBondContact OH-O 3.02Å; Y150-A291 HydrophobicContact CD1-CB 3.33Å; Y150-A291 HydrophobicContact CD2-CB 4.06Å; Y150-A291 VanDerWaalsContact CE1-C 3.42Å; Y150-A291 HydrophobicContact CE1-CB 3.28Å; Y150-A291 HydrophobicContact CE2-CB 4.06Å; Y150-A291 HydrophobicContact CG-CB 3.73Å; Y150-A291 PolarHBondContact OH-O 2.81Å; Y150-A291 VanDerWaalsContact OH-O 3.07Å; Y150-H292 AromaticContact CD1-CE1 3.96Å; Y150-H292 AromaticContact CD1-NE2 3.64Å; Y150-H292 AromaticContact CE1-CD2 3.68Å; Y150-H292 AromaticContact CE1-CE1 3.31Å; Y150-H292 WeakPolarHBondContact CE1-CE1 3.46Å; Y150-H292 AromaticContact CE1-CG 3.75Å; Y150-H292 AromaticContact CE1-ND1 3.54Å; Y150-H292 AromaticContact CE1-NE2 3.42Å; Y150-H292 WeakPolarHBondContact CE1-NE2 3.08Å
151A64.4Low86.8Confident63 Ų6325.8 Ų25.852%0.52116%0.162SC..THydrogen-bonded Turntrans-61.2-25.2172.700000113.8
152T67.6Low86.6Confident89 Ų8925.9 Ų25.955%0.54616%0.163SC..THydrogen-bonded Turntrans-99.612.4-176.455.80000113.7Y150 G154Y150-T152 PolarHBondContact O-N 3.18Å; T152-G154 PolarHBondContact O-N 2.87Å
153L69.5Low86.3Confident21 Ų2131.6 Ų31.611%0.1119%0.189CC..  trans-61.9125.8172.1-75.3174.9000109.7L149 Y150 T157 M158 I161L149-L153 HydrophobicContact CB-CD1 4.24Å; L149-L153 HydrophobicContact CD2-CD1 4.26Å; Y150-L153 HydrophobicContact CD2-CD1 4.04Å; Y150-L153 HydrophobicContact CD2-CD2 3.62Å; Y150-L153 HydrophobicContact CD2-CG 3.75Å; Y150-L153 HydrophobicContact CE2-CD2 4.31Å; Y150-L153 HydrophobicContact CG-CD2 4.48Å; Y150-L153 HydrophobicContact CG-CG 4.34Å; Y150-L153 WeakPolarHBondContact O-CG 3.07Å; Y150-L153 PolarHBondContact O-N 3.01Å; L153-T157 HydrophobicContact CD2-CG2 3.69Å; L153-M158 HydrophobicContact CB-CE 4.04Å; L153-M158 HydrophobicContact CD1-CE 3.73Å; L153-M158 HydrophobicContact CD1-SD 4.4Å; L153-M158 HydrophobicContact CG-CE 4.5Å; L153-I161 HydrophobicContact CD1-CD1 3.65Å; L153-I161 HydrophobicContact CD2-CD1 4.31Å
154G69.3Low86.2Confident30 Ų3031.6 Ų31.631%0.30919%0.186SC..  trans-64.7147.5171.500000111.3T152 P156 T157 M158T152-G154 PolarHBondContact O-N 2.87Å; G154-P156 VanDerWaalsContact C-CD 3.47Å; G154-P156 VanDerWaalsContact C-N 3.35Å; G154-T157 WeakPolarHBondContact O-CA 3.5Å; G154-T157 WeakPolarHBondContact O-CB 3.4Å; G154-T157 PolarHBondContact O-N 2.8Å; G154-M158 PolarHBondContact O-N 2.77Å
155D81.7Confident86.1Confident68 Ų6831.4 Ų31.436%0.36419%0.185SC..Hα-helixtrans-47.7-45.5-175.8-72.48.8000113.4T157 M158 Q159 K184 F185D155-T157 VanDerWaalsContact C-N 3.3Å; D155-T157 PolarHBondContact O-N 2.81Å; D155-M158 PolarHBondContact O-N 2.7Å; D155-Q159 PolarHBondContact O-N 2.81Å; D155-K184 IonicContact OD1-NZ 3.84Å; D155-K184 IonicContact OD2-NZ 2.91Å; D155-K184 PolarHBondContact OD2-NZ 2.95Å; D155-F185 HydrophobicContact CB-CE1 3.73Å; D155-F185 HydrophobicContact CB-CZ 3.93Å; D155-F185 WeakPolarHBondContact O-CE1 3.49Å
156P80.2Confident85.9Confident95 Ų9531 Ų3162%0.61719%0.185SC*.Hα-helixtrans-62.3-34.9176.7-23.734.5000114G154 H160G154-P156 VanDerWaalsContact C-CD 3.47Å; G154-P156 VanDerWaalsContact C-N 3.35Å; P156-H160 WeakPolarHBondContact O-CB 3.24Å; P156-H160 PolarHBondContact O-N 2.72Å; P156-H160 VanDerWaalsContact O-N 3.07Å
157T81.5Confident85.7Confident29 Ų2931.1 Ų31.118%0.17819%0.185CC..Hα-helixtrans-72.9-41.1179-58.20000110.8L153 G154 D155 H160 I161 A252L153-T157 HydrophobicContact CD2-CG2 3.69Å; G154-T157 WeakPolarHBondContact O-CA 3.5Å; G154-T157 WeakPolarHBondContact O-CB 3.4Å; G154-T157 PolarHBondContact O-N 2.8Å; D155-T157 VanDerWaalsContact C-N 3.3Å; D155-T157 PolarHBondContact O-N 2.81Å; T157-H160 PolarHBondContact O-N 3.31Å; T157-I161 HydrophobicContact CG2-CD1 3.89Å; T157-I161 HydrophobicContact CG2-CG1 4.42Å; T157-I161 VanDerWaalsContact O-CG1 3.27Å; T157-I161 WeakPolarHBondContact O-CG1 3.42Å; T157-I161 PolarHBondContact O-N 2.9Å; T157-A252 HydrophobicContact CG2-CB 3.42Å; T157-A252 VanDerWaalsContact CG2-CB 3.42Å
158M86.9Confident85.5Confident3 Ų331.6 Ų31.62%0.01519%0.188CC..Hα-helixtrans-59.6-48.4175.3-175.460.974.400111.1Y125 L149 L153 G154 D155 H160 I161 L162 I181 F185Y125-M158 HydrophobicContact CD2-CE 4.35Å; Y125-M158 HydrophobicContact CE2-CE 3.94Å; L149-M158 HydrophobicContact CB-CE 4.44Å; L149-M158 HydrophobicContact CD1-SD 4.04Å; L153-M158 HydrophobicContact CB-CE 4.04Å; L153-M158 HydrophobicContact CD1-CE 3.73Å; L153-M158 HydrophobicContact CD1-SD 4.4Å; L153-M158 HydrophobicContact CG-CE 4.5Å; G154-M158 PolarHBondContact O-N 2.77Å; D155-M158 PolarHBondContact O-N 2.7Å; M158-H160 VanDerWaalsContact C-N 3.32Å; M158-H160 PolarHBondContact O-N 2.92Å; M158-I161 PolarHBondContact O-N 3.37Å; M158-L162 HydrophobicContact CG-CD1 4.03Å; M158-L162 WeakPolarHBondContact O-CG 3.23Å; M158-L162 PolarHBondContact O-N 3.19Å; M158-L162 HydrophobicContact SD-CD1 4.35Å; M158-L162 HydrophobicContact SD-CG 4.42Å; M158-I181 HydrophobicContact CE-CD1 3.79Å; M158-I181 HydrophobicContact CG-CD1 3.67Å; M158-I181 HydrophobicContact SD-CD1 3.64Å; M158-F185 HydrophobicContact CB-CD2 4.43Å; M158-F185 HydrophobicContact CB-CE1 4.07Å; M158-F185 HydrophobicContact CB-CE2 4Å; M158-F185 HydrophobicContact CB-CZ 3.78Å; M158-F185 HydrophobicContact CG-CD1 4.49Å; M158-F185 HydrophobicContact CG-CD2 3.66Å; M158-F185 HydrophobicContact CG-CE1 4.31Å; M158-F185 HydrophobicContact CG-CE2 3.48Å; M158-F185 VanDerWaalsContact CG-CE2 3.48Å; M158-F185 HydrophobicContact CG-CG 4.19Å; M158-F185 HydrophobicContact CG-CZ 3.82Å
159Q91.2Very high85.5Confident34 Ų3431.6 Ų31.616%0.15919%0.188CC..Hα-helixtrans-59.1-42.6177.3-176.557.581.500112.3D155 Q163 F185 N186D155-Q159 PolarHBondContact O-N 2.81Å; Q159-Q163 VanDerWaalsContact NE2-NE2 3.11Å; Q159-Q163 WeakPolarHBondContact O-CB 3.41Å; Q159-Q163 WeakPolarHBondContact O-CG 3.34Å; Q159-Q163 PolarHBondContact O-N 2.63Å; Q159-Q163 VanDerWaalsContact O-N 3.08Å; Q159-F185 HydrophobicContact CB-CD1 3.93Å; Q159-N186 PolarHBondContact NE2-O 3.26Å
160H90.5Very high85.8Confident35 Ų3531.6 Ų31.616%0.16219%0.188CC..Hα-helixtrans-61.4-47177.2172.760.6000112P156 T157 M158 Q163 Q164 L251 A252P156-H160 WeakPolarHBondContact O-CB 3.24Å; P156-H160 PolarHBondContact O-N 2.72Å; P156-H160 VanDerWaalsContact O-N 3.07Å; T157-H160 PolarHBondContact O-N 3.31Å; M158-H160 VanDerWaalsContact C-N 3.32Å; M158-H160 PolarHBondContact O-N 2.92Å; H160-Q163 PolarHBondContact O-N 3.25Å; H160-Q164 PolarHBondContact NE2-OE1 3.13Å; H160-Q164 WeakPolarHBondContact O-CB 3.42Å; H160-Q164 PolarHBondContact O-N 2.82Å; H160-L251 HydrophobicContact CB-CD1 4.48Å; H160-L251 HydrophobicContact CB-CD2 4.21Å; H160-A252 PolarHBondContact CD2-O 3.45Å; H160-A252 PolarHBondContact NE2-O 3.05Å
161I92.4Very high86.8Confident1 Ų130.7 Ų30.71%0.00519%0.185CC..Hα-helixtrans-61.1-49.1179.6-65.7164.6000110.3V147 L149 L153 T157 M158 Q163 Q164 T165 Y244V147-I161 HydrophobicContact CG1-CG2 3.96Å; L149-I161 HydrophobicContact CD2-CB 4.43Å; L149-I161 HydrophobicContact CD2-CD1 4.16Å; L149-I161 HydrophobicContact CD2-CG2 3.59Å; L153-I161 HydrophobicContact CD1-CD1 3.65Å; L153-I161 HydrophobicContact CD2-CD1 4.31Å; T157-I161 HydrophobicContact CG2-CD1 3.89Å; T157-I161 HydrophobicContact CG2-CG1 4.42Å; T157-I161 VanDerWaalsContact O-CG1 3.27Å; T157-I161 WeakPolarHBondContact O-CG1 3.42Å; T157-I161 PolarHBondContact O-N 2.9Å; M158-I161 PolarHBondContact O-N 3.37Å; I161-Q163 VanDerWaalsContact C-N 3.3Å; I161-Q163 PolarHBondContact O-N 3.22Å; I161-Q164 PolarHBondContact O-N 3.15Å; I161-T165 HydrophobicContact CG2-CG2 4.17Å; I161-T165 WeakPolarHBondContact O-CB 3.2Å; I161-T165 WeakPolarHBondContact O-CG2 3.43Å; I161-T165 PolarHBondContact O-N 2.74Å; I161-T165 PolarHBondContact O-OG1 2.64Å; I161-Y244 HydrophobicContact CB-CE2 4.29Å; I161-Y244 HydrophobicContact CD1-CD1 4.09Å; I161-Y244 HydrophobicContact CD1-CD2 4.01Å; I161-Y244 HydrophobicContact CD1-CG 3.71Å; I161-Y244 HydrophobicContact CG1-CD1 3.57Å; I161-Y244 HydrophobicContact CG1-CD2 3.8Å; I161-Y244 HydrophobicContact CG1-CE1 3.71Å; I161-Y244 HydrophobicContact CG1-CE2 3.94Å; I161-Y244 HydrophobicContact CG1-CG 3.61Å; I161-Y244 HydrophobicContact CG2-CD2 3.93Å; I161-Y244 HydrophobicContact CG2-CE2 3.61Å
162L93.9Very high88.3Confident2 Ų227.7 Ų27.71%0.0116%0.16CC..Hα-helixtrans-58.7-40.5-179.9-69169.3000112.2M158 G166 L167 I181 F185M158-L162 HydrophobicContact CG-CD1 4.03Å; M158-L162 WeakPolarHBondContact O-CG 3.23Å; M158-L162 PolarHBondContact O-N 3.19Å; M158-L162 HydrophobicContact SD-CD1 4.35Å; M158-L162 HydrophobicContact SD-CG 4.42Å; L162-G166 WeakPolarHBondContact O-CA 3.34Å; L162-G166 PolarHBondContact O-N 2.7Å; L162-L167 HydrophobicContact CD2-CD1 4.31Å; L162-I181 HydrophobicContact CD1-CG2 4.09Å; L162-F185 HydrophobicContact CD1-CB 3.64Å; L162-F185 HydrophobicContact CD1-CD2 4.23Å; L162-F185 HydrophobicContact CD1-CG 4.09Å
163Q93.2Very high89.6Confident119 Ų11924.7 Ų24.756%0.55614%0.139SC*.Hα-helixtrans-71.6-46.9177.1-77.1172.10.200112.9Q159 H160 I161 G166Q159-Q163 VanDerWaalsContact NE2-NE2 3.11Å; Q159-Q163 WeakPolarHBondContact O-CB 3.41Å; Q159-Q163 WeakPolarHBondContact O-CG 3.34Å; Q159-Q163 PolarHBondContact O-N 2.63Å; Q159-Q163 VanDerWaalsContact O-N 3.08Å; H160-Q163 PolarHBondContact O-N 3.25Å; I161-Q163 VanDerWaalsContact C-N 3.3Å; I161-Q163 PolarHBondContact O-N 3.22Å; Q163-G166 PolarHBondContact O-N 2.91Å
164Q93.1Very high90.8Very high31 Ų3124.6 Ų24.615%0.14514%0.14CC..Hα-helixtrans-68.3-39.8-174.1-168.1-176.839.200111.5H160 I161 Y244 F490 K491H160-Q164 PolarHBondContact NE2-OE1 3.13Å; H160-Q164 WeakPolarHBondContact O-CB 3.42Å; H160-Q164 PolarHBondContact O-N 2.82Å; I161-Q164 PolarHBondContact O-N 3.15Å; Q164-Y244 VanDerWaalsContact OE1-CE1 3.26Å; Q164-Y244 PolarHBondContact OE1-OH 3.45Å; Q164-F490 HydrophobicContact CG-CD1 4.21Å; Q164-F490 HydrophobicContact CG-CE1 4.29Å; Q164-F490 PolarHBondContact NE2-O 3.3Å; Q164-K491 HydrophobicContact CG-CB 4.26Å; Q164-K491 HydrophobicContact CG-CD 4.13Å; Q164-K491 PolarHBondContact O-NZ 2.95Å
165T93.8Very high92.1Very high1 Ų123.1 Ų23.11%0.00613%0.126CC..Hα-helixtrans-80.7-27.4178.758.40000113F121 V147 I161 L167 Y244 F490F121-T165 WeakPolarHBondContact CD2-O 3.26Å; V147-T165 HydrophobicContact CG1-CG2 4.13Å; V147-T165 HydrophobicContact CG2-CG2 4.11Å; I161-T165 HydrophobicContact CG2-CG2 4.17Å; I161-T165 WeakPolarHBondContact O-CB 3.2Å; I161-T165 WeakPolarHBondContact O-CG2 3.43Å; I161-T165 PolarHBondContact O-N 2.74Å; I161-T165 PolarHBondContact O-OG1 2.64Å; T165-L167 PolarHBondContact O-N 2.83Å; T165-L167 WeakPolarHBondContact OG1-CG 3.49Å; T165-Y244 HydrophobicContact CG2-CE2 3.95Å; T165-Y244 WeakPolarHBondContact CG2-OH 3.11Å; T165-F490 HydrophobicContact CG2-CE1 4.3Å
166G92.9Very high92.6Very high8 Ų824.1 Ų24.18%0.08213%0.131CC..THydrogen-bonded Turntrans64.229.9-176.700000112.8L162 Q163 V168L162-G166 WeakPolarHBondContact O-CA 3.34Å; L162-G166 PolarHBondContact O-N 2.7Å; Q163-G166 PolarHBondContact O-N 2.91Å; G166-V168 PolarHBondContact O-N 3.12Å; G166-V168 VanDerWaalsContact O-N 3.17Å
167L94.7Very high93.2Very high2 Ų221.5 Ų21.51%0.0111%0.111CC..  trans-48.8122.2-174.5-81.2171.6000112.4F121 V147 L162 T165 S188 L189F121-L167 HydrophobicContact CB-CD2 3.66Å; V147-L167 HydrophobicContact CB-CD1 4.35Å; V147-L167 HydrophobicContact CB-CD2 4.46Å; V147-L167 HydrophobicContact CG1-CD1 4.42Å; V147-L167 HydrophobicContact CG2-CD2 4.26Å; L162-L167 HydrophobicContact CD2-CD1 4.31Å; T165-L167 PolarHBondContact O-N 2.83Å; T165-L167 WeakPolarHBondContact OG1-CG 3.49Å; L167-S188 CarbonylContact O-C 3.53Å; L167-S188 VanDerWaalsContact O-C 3.26Å; L167-L189 HydrophobicContact CB-CD2 4.08Å; L167-L189 WeakPolarHBondContact O-CD2 3.38Å; L167-L189 PolarHBondContact O-N 3.25Å
168V94.4Very high93.8Very high9 Ų920.1 Ų20.16%0.05510%0.103CC..SBendtrans-94.2-30.4175.3178.10000111.5Y115 G166 L189 K190 V191Y115-V168 HydrophobicContact CD1-CG1 3.6Å; Y115-V168 HydrophobicContact CD1-CG2 4.47Å; Y115-V168 HydrophobicContact CD2-CG1 3.67Å; Y115-V168 HydrophobicContact CE1-CG1 3.54Å; Y115-V168 HydrophobicContact CE2-CG1 3.61Å; Y115-V168 HydrophobicContact CG-CG1 3.67Å; G166-V168 PolarHBondContact O-N 3.12Å; G166-V168 VanDerWaalsContact O-N 3.17Å; V168-L189 WeakPolarHBondContact O-CA 3.36Å; V168-K190 HydrophobicContact CG1-CB 3.88Å; V168-K190 HydrophobicContact CG1-CG 3.97Å; V168-K190 PolarHBondContact O-N 2.84Å; V168-V191 PolarHBondContact O-N 3.44Å; V168-V191 VanDerWaalsContact O-N 3.09Å
169I96.8Very high94.2Very high2 Ų221 Ų211%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-125.1138.7178.9-173.4166.1000111.5L108 I111 M112 V122 G123 V191 V193 F220L108-I169 HydrophobicContact CD2-CD1 3.79Å; I111-I169 HydrophobicContact CG2-CD1 4.36Å; M112-I169 HydrophobicContact SD-CB 4.46Å; M112-I169 HydrophobicContact SD-CG2 3.76Å; V122-I169 HydrophobicContact CB-CG2 4.34Å; V122-I169 HydrophobicContact CG1-CG2 4.28Å; V122-I169 HydrophobicContact CG2-CG2 3.92Å; G123-I169 PolarHBondContact N-O 3Å; I169-V191 WeakPolarHBondContact CA-O 3.22Å; I169-V191 HydrophobicContact CB-CB 4.24Å; I169-V191 HydrophobicContact CD1-CB 4.11Å; I169-V191 HydrophobicContact CD1-CG1 3.83Å; I169-V191 HydrophobicContact CG1-CB 3.94Å; I169-V191 HydrophobicContact CG1-CG1 4.04Å; I169-V193 HydrophobicContact CD1-CG2 4.46Å; I169-F220 HydrophobicContact CD1-CE2 4.37Å; I169-F220 HydrophobicContact CD1-CZ 4.11Å
170L97.3Very high94.2Very high0 Ų023.5 Ų23.50%012%0.118CC..EExtended strand (participates in β ladder)trans-135.6125.7177.7178.463.4000110.3G123 L149 C172 I181 L189 V191 I192 V193G123-L170 VanDerWaalsContact C-CD1 3.48Å; G123-L170 WeakPolarHBondContact O-CA 3.07Å; L149-L170 HydrophobicContact CD1-CD1 4.05Å; L170-C172 WeakPolarHBondContact CD2-SG 3.22Å; L170-C172 VanDerWaalsContact CG-SG 3.53Å; L170-I181 HydrophobicContact CD2-CG2 4.42Å; L170-L189 HydrophobicContact CB-CD1 4.23Å; L170-L189 HydrophobicContact CB-CD2 3.57Å; L170-L189 HydrophobicContact CD2-CD1 3.83Å; L170-V191 PolarHBondContact N-O 3.07Å; L170-V191 VanDerWaalsContact N-O 3.08Å; L170-I192 WeakPolarHBondContact O-CA 3.19Å; L170-V193 PolarHBondContact O-N 3.24Å
171M97.9Very high94.2Very high3 Ų321.9 Ų21.92%0.01511%0.11CC..EExtended strand (participates in β ladder)trans-90.7118.3163.3-169.3-78.7-83.100108.9G123 V124 Y125 W132 T135 V193 A195G123-M171 PolarHBondContact O-N 3.28Å; V124-M171 CarbonylContact C-O 3.26Å; V124-M171 WeakPolarHBondContact CA-O 3.19Å; V124-M171 HydrophobicContact CG1-CE 3.43Å; V124-M171 VanDerWaalsContact CG1-CE 3.43Å; V124-M171 HydrophobicContact CG1-SD 4.38Å; Y125-M171 PolarHBondContact N-O 2.67Å; W132-M171 HydrophobicContact CB-CE 4.1Å; T135-M171 HydrophobicContact CG2-CB 4.09Å; T135-M171 HydrophobicContact CG2-CE 4.34Å; T135-M171 HydrophobicContact CG2-CG 4.45Å; T135-M171 WeakPolarHBondContact OG1-CE 3.35Å; M171-V193 CarbonylContact C-O 3.54Å; M171-V193 VanDerWaalsContact CA-O 3.3Å; M171-V193 WeakPolarHBondContact CA-O 3.38Å; M171-V193 HydrophobicContact CB-CB 4.38Å; M171-V193 HydrophobicContact CG-CB 4.13Å; M171-V193 HydrophobicContact CG-CG1 4.31Å; M171-A195 HydrophobicContact SD-CB 3.9Å
172C96.5Very high94.4Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-107.8143.1178.1-80.20000110.7Y125 L170 S174 A178 V193 I194 A195Y125-C172 CarbonylContact O-C 3.32Å; Y125-C172 WeakPolarHBondContact O-CA 2.98Å; L170-C172 WeakPolarHBondContact CD2-SG 3.22Å; L170-C172 VanDerWaalsContact CG-SG 3.53Å; C172-S174 PolarHBondContact O-N 3.15Å; C172-A178 HydrophobicContact CB-CB 4.15Å; C172-V193 PolarHBondContact N-O 3.18Å; C172-I194 HydrophobicContact CB-CD1 3.86Å; C172-I194 CarbonylContact O-C 3.53Å; C172-I194 WeakPolarHBondContact O-CA 3.14Å; C172-A195 PolarHBondContact O-N 3.12Å
173H94.2Very high94.4Very high26 Ų2628.9 Ų28.912%0.1214%0.144CC..SBendtrans-62.6-40.9177.3-178.775.9000112.8Y125 R127 L177 A195 V196Y125-H173 PolarHBondContact O-N 3.4Å; R127-H173 VanDerWaalsContact CD-NE2 3.32Å; R127-H173 WeakPolarHBondContact CD-NE2 3.28Å; R127-H173 WeakPolarHBondContact CG-CE1 3.42Å; R127-H173 WeakPolarHBondContact CG-ND1 3.48Å; R127-H173 WeakPolarHBondContact CG-NE2 3.44Å; H173-L177 HydrophobicContact CB-CD1 4.12Å; H173-A195 WeakPolarHBondContact O-CB 3.49Å; H173-V196 PolarHBondContact O-N 3.07Å
174S94.3Very high94.3Very high18 Ų1828.5 Ų28.513%0.12614%0.14CC..SBendtrans-139.2163178.866.60000111.6C172 L177 A178C172-S174 PolarHBondContact O-N 3.15Å; S174-L177 PolarHBondContact O-N 3.36Å; S174-A178 PolarHBondContact O-N 3.31Å
175A95.9Very high94.3Very high0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-66.8-37.8178.100000112.5L177 A178 I179 I194 S200 F201 L204A175-L177 VanDerWaalsContact C-N 3.26Å; A175-L177 PolarHBondContact O-N 2.9Å; A175-A178 CarbonylContact O-C 3.57Å; A175-A178 WeakPolarHBondContact O-CA 3.29Å; A175-A178 WeakPolarHBondContact O-CB 3.44Å; A175-A178 PolarHBondContact O-N 2.91Å; A175-I179 WeakPolarHBondContact O-CG1 3.4Å; A175-I179 PolarHBondContact O-N 3.31Å; A175-I194 HydrophobicContact CB-CG2 4.48Å; A175-S200 VanDerWaalsContact CB-C 3.44Å; A175-S200 WeakPolarHBondContact CB-O 3.34Å; A175-F201 HydrophobicContact CB-CB 4.37Å; A175-L204 HydrophobicContact CB-CB 4.12Å; A175-L204 HydrophobicContact CB-CD2 4.09Å
176D93Very high94.2Very high89 Ų8933.9 Ų33.948%0.47617%0.169SC..Hα-helixtrans-55.2-41.3174.6-71.7-16.8000112.7A178 I179 K180 S200D176-A178 VanDerWaalsContact C-N 3.33Å; D176-I179 PolarHBondContact O-N 3.11Å; D176-K180 WeakPolarHBondContact O-CB 3.49Å; D176-K180 PolarHBondContact O-N 3.47Å; D176-S200 WeakPolarHBondContact OD1-CB 3.4Å; D176-S200 PolarHBondContact OD1-OG 3.04Å
177L91.9Very high94.2Very high39 Ų3935.6 Ų35.620%0.20418%0.18CC..Hα-helixtrans-65.6-38.7176.7-72.5179.7000111.4Y125 H173 S174 A175 I181Y125-L177 HydrophobicContact CD1-CB 4.01Å; Y125-L177 HydrophobicContact CD1-CD1 4.47Å; Y125-L177 HydrophobicContact CE1-CB 3.7Å; Y125-L177 HydrophobicContact CE1-CD1 4.27Å; Y125-L177 HydrophobicContact CE1-CD2 3.84Å; Y125-L177 HydrophobicContact CE1-CG 4.14Å; H173-L177 HydrophobicContact CB-CD1 4.12Å; S174-L177 PolarHBondContact O-N 3.36Å; A175-L177 VanDerWaalsContact C-N 3.26Å; A175-L177 PolarHBondContact O-N 2.9Å; L177-I181 VanDerWaalsContact O-CG1 3.31Å; L177-I181 WeakPolarHBondContact O-CG1 3.37Å; L177-I181 PolarHBondContact O-N 3.36Å
178A94.8Very high94.1Very high0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-66.7-46.6175.900000111.8C172 S174 A175 D176 K180 I181 L182 I192 I194 L204C172-A178 HydrophobicContact CB-CB 4.15Å; S174-A178 PolarHBondContact O-N 3.31Å; A175-A178 CarbonylContact O-C 3.57Å; A175-A178 WeakPolarHBondContact O-CA 3.29Å; A175-A178 WeakPolarHBondContact O-CB 3.44Å; A175-A178 PolarHBondContact O-N 2.91Å; D176-A178 VanDerWaalsContact C-N 3.33Å; A178-K180 VanDerWaalsContact C-N 3.34Å; A178-K180 PolarHBondContact O-N 3.11Å; A178-I181 WeakPolarHBondContact O-CB 3.3Å; A178-I181 PolarHBondContact O-N 3.3Å; A178-I181 VanDerWaalsContact O-N 3.09Å; A178-L182 WeakPolarHBondContact O-CG 3.37Å; A178-L182 PolarHBondContact O-N 2.96Å; A178-I192 HydrophobicContact CB-CD1 4.13Å; A178-I192 HydrophobicContact CB-CG2 4.01Å; A178-I194 HydrophobicContact CB-CD1 3.85Å; A178-L204 HydrophobicContact CB-CD1 4.09Å; A178-L204 HydrophobicContact CB-CD2 3.97Å
179I94.7Very high94.1Very high23 Ų2338.2 Ų38.212%0.11820%0.198CC..Hα-helixtrans-56.5-49.2176.4-65.7169.7000109.8A175 D176 I181 L182 E183 L204A175-I179 WeakPolarHBondContact O-CG1 3.4Å; A175-I179 PolarHBondContact O-N 3.31Å; D176-I179 PolarHBondContact O-N 3.11Å; I179-I181 PolarHBondContact O-N 3.11Å; I179-L182 PolarHBondContact O-N 3.24Å; I179-L182 VanDerWaalsContact O-N 3.08Å; I179-E183 HydrophobicContact CG2-CG 4.01Å; I179-E183 WeakPolarHBondContact O-CG 3.36Å; I179-E183 PolarHBondContact O-N 3.19Å; I179-L204 HydrophobicContact CD1-CB 4.22Å; I179-L204 HydrophobicContact CG1-CB 4.14Å; I179-L204 HydrophobicContact CG1-CD1 3.62Å; I179-L204 HydrophobicContact CG1-CG 4.45Å
180K91.2Very high94Very high85 Ų8543 Ų4337%0.3722%0.219SC..Hα-helixtrans-55.3-39.8177-177.4-177.4176.3-172.70112.5D176 A178 K184D176-K180 WeakPolarHBondContact O-CB 3.49Å; D176-K180 PolarHBondContact O-N 3.47Å; A178-K180 VanDerWaalsContact C-N 3.34Å; A178-K180 PolarHBondContact O-N 3.11Å; K180-K184 HydrophobicContact CG-CD 4Å; K180-K184 VanDerWaalsContact O-CB 3.28Å; K180-K184 WeakPolarHBondContact O-CB 3.44Å; K180-K184 WeakPolarHBondContact O-CG 3.42Å; K180-K184 PolarHBondContact O-N 3.21Å
181I92.2Very high94Very high1 Ų143 Ų431%0.00522%0.219CC..Hα-helixtrans-66.7-47.9177.7-68.6-70000110.6Y125 M158 L162 L170 L177 A178 I179 F185 L189Y125-I181 HydrophobicContact CD1-CD1 4.38Å; Y125-I181 HydrophobicContact CD1-CG1 4.06Å; Y125-I181 HydrophobicContact CE1-CD1 4.02Å; Y125-I181 HydrophobicContact CE1-CG1 3.86Å; M158-I181 HydrophobicContact CE-CD1 3.79Å; M158-I181 HydrophobicContact CG-CD1 3.67Å; M158-I181 HydrophobicContact SD-CD1 3.64Å; L162-I181 HydrophobicContact CD1-CG2 4.09Å; L170-I181 HydrophobicContact CD2-CG2 4.42Å; L177-I181 VanDerWaalsContact O-CG1 3.31Å; L177-I181 WeakPolarHBondContact O-CG1 3.37Å; L177-I181 PolarHBondContact O-N 3.36Å; A178-I181 WeakPolarHBondContact O-CB 3.3Å; A178-I181 PolarHBondContact O-N 3.3Å; A178-I181 VanDerWaalsContact O-N 3.09Å; I179-I181 PolarHBondContact O-N 3.11Å; I181-F185 HydrophobicContact CB-CD2 4.49Å; I181-F185 HydrophobicContact CD1-CD2 3.84Å; I181-F185 HydrophobicContact CD1-CE2 3.87Å; I181-F185 HydrophobicContact CG2-CD2 4.42Å; I181-F185 WeakPolarHBondContact O-CD2 3.37Å; I181-F185 PolarHBondContact O-N 3.44Å; I181-L189 HydrophobicContact CG2-CD1 4.02Å
182L94.8Very high94Very high26 Ų2642.9 Ų42.914%0.13622%0.218CC..Hα-helixtrans-68.6-33.5-175.7-67.6177.1000113.6A178 I179 L189 I192 L204 Y208 M212A178-L182 WeakPolarHBondContact O-CG 3.37Å; A178-L182 PolarHBondContact O-N 2.96Å; I179-L182 PolarHBondContact O-N 3.24Å; I179-L182 VanDerWaalsContact O-N 3.08Å; L182-L189 HydrophobicContact CD2-CD1 4.35Å; L182-I192 HydrophobicContact CD1-CD1 3.75Å; L182-I192 HydrophobicContact CD2-CD1 4.09Å; L182-I192 HydrophobicContact CG-CD1 4.04Å; L182-L204 HydrophobicContact CD1-CD1 3.91Å; L182-Y208 HydrophobicContact CB-CE1 3.86Å; L182-Y208 HydrophobicContact CB-CE2 4.24Å; L182-Y208 HydrophobicContact CD1-CD1 3.82Å; L182-Y208 HydrophobicContact CD1-CD2 3.74Å; L182-Y208 HydrophobicContact CD1-CE1 3.94Å; L182-Y208 HydrophobicContact CD1-CE2 3.86Å; L182-Y208 HydrophobicContact CD1-CG 3.7Å; L182-Y208 HydrophobicContact CG-CE1 4.48Å; L182-M212 HydrophobicContact CD1-CE 3.84Å; L182-M212 HydrophobicContact CD1-SD 3.81Å; L182-M212 HydrophobicContact CD2-CE 3.41Å; L182-M212 VanDerWaalsContact CD2-CE 3.41Å; L182-M212 HydrophobicContact CD2-SD 4.03Å; L182-M212 HydrophobicContact CG-CE 4.26Å
183E93.9Very high94.1Very high124 Ų12442.9 Ų42.958%0.57922%0.218SC*.Hα-helixtrans-77.9-37.1178.2-70-176.6155.300112.7I179 Y208I179-E183 HydrophobicContact CG2-CG 4.01Å; I179-E183 WeakPolarHBondContact O-CG 3.36Å; I179-E183 PolarHBondContact O-N 3.19Å; E183-Y208 WeakPolarHBondContact CG-OH 3.35Å
184K91.7Very high94.2Very high112 Ų11241.7 Ų41.749%0.48721%0.213SC..Hα-helixtrans-93-27.6-171.4-70.5-171.1160.1-147.90114.7D155 K180D155-K184 IonicContact OD1-NZ 3.84Å; D155-K184 IonicContact OD2-NZ 2.91Å; D155-K184 PolarHBondContact OD2-NZ 2.95Å; K180-K184 HydrophobicContact CG-CD 4Å; K180-K184 VanDerWaalsContact O-CB 3.28Å; K180-K184 WeakPolarHBondContact O-CB 3.44Å; K180-K184 WeakPolarHBondContact O-CG 3.42Å; K180-K184 PolarHBondContact O-N 3.21Å
185F93.9Very high94.3Very high15 Ų1541.2 Ų41.27%0.06621%0.21CC..SBendtrans-125.6138.2-168.2-51-64.4000112.3D155 M158 Q159 L162 I181 S187D155-F185 HydrophobicContact CB-CE1 3.73Å; D155-F185 HydrophobicContact CB-CZ 3.93Å; D155-F185 WeakPolarHBondContact O-CE1 3.49Å; M158-F185 HydrophobicContact CB-CD2 4.43Å; M158-F185 HydrophobicContact CB-CE1 4.07Å; M158-F185 HydrophobicContact CB-CE2 4Å; M158-F185 HydrophobicContact CB-CZ 3.78Å; M158-F185 HydrophobicContact CG-CD1 4.49Å; M158-F185 HydrophobicContact CG-CD2 3.66Å; M158-F185 HydrophobicContact CG-CE1 4.31Å; M158-F185 HydrophobicContact CG-CE2 3.48Å; M158-F185 VanDerWaalsContact CG-CE2 3.48Å; M158-F185 HydrophobicContact CG-CG 4.19Å; M158-F185 HydrophobicContact CG-CZ 3.82Å; Q159-F185 HydrophobicContact CB-CD1 3.93Å; L162-F185 HydrophobicContact CD1-CB 3.64Å; L162-F185 HydrophobicContact CD1-CD2 4.23Å; L162-F185 HydrophobicContact CD1-CG 4.09Å; I181-F185 HydrophobicContact CB-CD2 4.49Å; I181-F185 HydrophobicContact CD1-CD2 3.84Å; I181-F185 HydrophobicContact CD1-CE2 3.87Å; I181-F185 HydrophobicContact CG2-CD2 4.42Å; I181-F185 WeakPolarHBondContact O-CD2 3.37Å; I181-F185 PolarHBondContact O-N 3.44Å; F185-S187 PolarHBondContact O-N 3.22Å
186N92.3Very high94.1Very high130 Ų13043.9 Ų43.970%0.69523%0.226SC*.  trans-71.2124.5166.6-68-40.5000108.6Q159Q159-N186 PolarHBondContact NE2-O 3.26Å
187S92.1Very high93.8Very high43 Ų4344.7 Ų44.730%0.30123%0.227SC..  trans-141.5160.6-178.471.30000112F185 L189F185-S187 PolarHBondContact O-N 3.22Å; S187-L189 VanDerWaalsContact C-N 3.27Å
188S92.8Very high93.5Very high60 Ų6045.9 Ų45.942%0.4223%0.234SC..  trans-89.18.8173.8-59.20000112.8L167 K190L167-S188 CarbonylContact O-C 3.53Å; L167-S188 VanDerWaalsContact O-C 3.26Å; S188-K190 PolarHBondContact O-N 2.81Å
189L94.8Very high93Very high7 Ų753 Ų534%0.03727%0.267CS..  trans-60.3129.3-172.8-66.4172.6000111.2L167 V168 L170 I181 L182 S187L167-L189 HydrophobicContact CB-CD2 4.08Å; L167-L189 WeakPolarHBondContact O-CD2 3.38Å; L167-L189 PolarHBondContact O-N 3.25Å; V168-L189 WeakPolarHBondContact O-CA 3.36Å; L170-L189 HydrophobicContact CB-CD1 4.23Å; L170-L189 HydrophobicContact CB-CD2 3.57Å; L170-L189 HydrophobicContact CD2-CD1 3.83Å; I181-L189 HydrophobicContact CG2-CD1 4.02Å; L182-L189 HydrophobicContact CD2-CD1 4.35Å; S187-L189 VanDerWaalsContact C-N 3.27Å
190K94.2Very high92.8Very high103 Ų10352.8 Ų52.845%0.44827%0.268SS..  trans-122.6-16.2175.1-58.2-59.2177.1-170.20112.8Y115 V168 S188 M212 K213Y115-K190 HydrophobicContact CE1-CB 4.04Å; Y115-K190 HydrophobicContact CE1-CG 3.87Å; Y115-K190 WeakPolarHBondContact OH-CB 3.34Å; V168-K190 HydrophobicContact CG1-CB 3.88Å; V168-K190 HydrophobicContact CG1-CG 3.97Å; V168-K190 PolarHBondContact O-N 2.84Å; S188-K190 PolarHBondContact O-N 2.81Å; K190-M212 WeakPolarHBondContact O-CA 3.27Å; K190-M212 VanDerWaalsContact O-CB 3.29Å; K190-M212 WeakPolarHBondContact O-CB 3.35Å; K190-K213 PolarHBondContact O-N 3.21Å
191V96.5Very high93Very high0 Ų048.9 Ų48.90%025%0.251CS..EExtended strand (participates in β ladder)trans-137.4130.5178.3-174.40000110.1I111 V168 I169 L170 K213 Y215I111-V191 HydrophobicContact CG2-CB 4.36Å; I111-V191 HydrophobicContact CG2-CG1 4.43Å; I111-V191 HydrophobicContact CG2-CG2 3.68Å; V168-V191 PolarHBondContact O-N 3.44Å; V168-V191 VanDerWaalsContact O-N 3.09Å; I169-V191 WeakPolarHBondContact CA-O 3.22Å; I169-V191 HydrophobicContact CB-CB 4.24Å; I169-V191 HydrophobicContact CD1-CB 4.11Å; I169-V191 HydrophobicContact CD1-CG1 3.83Å; I169-V191 HydrophobicContact CG1-CB 3.94Å; I169-V191 HydrophobicContact CG1-CG1 4.04Å; L170-V191 PolarHBondContact N-O 3.07Å; L170-V191 VanDerWaalsContact N-O 3.08Å; V191-K213 CarbonylContact C-O 3.49Å; V191-K213 WeakPolarHBondContact CA-O 2.99Å; V191-K213 HydrophobicContact CG1-CB 4.47Å; V191-K213 HydrophobicContact CG2-CB 4.28Å; V191-Y215 HydrophobicContact CG1-CD2 4.04Å; V191-Y215 HydrophobicContact CG1-CE2 4.1Å
192I97.7Very high93Very high0 Ų053.5 Ų53.50%027%0.272CS..EExtended strand (participates in β ladder)trans-123.3133.7172.3-64.1-174.4000109.5L170 A178 L182 I194 M212 K213 I214 Y215L170-I192 WeakPolarHBondContact O-CA 3.19Å; A178-I192 HydrophobicContact CB-CD1 4.13Å; A178-I192 HydrophobicContact CB-CG2 4.01Å; L182-I192 HydrophobicContact CD1-CD1 3.75Å; L182-I192 HydrophobicContact CD2-CD1 4.09Å; L182-I192 HydrophobicContact CG-CD1 4.04Å; I192-I194 HydrophobicContact CG2-CD1 3.48Å; I192-I194 VanDerWaalsContact CG2-CD1 3.48Å; I192-I194 HydrophobicContact CG2-CG1 4.21Å; I192-M212 HydrophobicContact CD1-SD 3.73Å; I192-M212 HydrophobicContact CG1-SD 4.02Å; I192-K213 PolarHBondContact N-O 3.49Å; I192-I214 WeakPolarHBondContact O-CA 3.49Å; I192-Y215 PolarHBondContact O-N 3.09Å
193V98.5Very high93Very high0 Ų056.3 Ų56.30%029%0.288CS..EExtended strand (participates in β ladder)trans-114.6125.8173.5-174.20000108.9F104 I169 L170 M171 C172 Y215 F217 F220F104-V193 HydrophobicContact CE2-CG1 4.28Å; I169-V193 HydrophobicContact CD1-CG2 4.46Å; L170-V193 PolarHBondContact O-N 3.24Å; M171-V193 CarbonylContact C-O 3.54Å; M171-V193 VanDerWaalsContact CA-O 3.3Å; M171-V193 WeakPolarHBondContact CA-O 3.38Å; M171-V193 HydrophobicContact CB-CB 4.38Å; M171-V193 HydrophobicContact CG-CB 4.13Å; M171-V193 HydrophobicContact CG-CG1 4.31Å; C172-V193 PolarHBondContact N-O 3.18Å; V193-Y215 CarbonylContact C-O 3.5Å; V193-Y215 WeakPolarHBondContact CA-O 3.4Å; V193-F217 HydrophobicContact CG1-CD2 4.27Å; V193-F220 HydrophobicContact CG1-CB 3.88Å; V193-F220 HydrophobicContact CG1-CG 4.13Å; V193-F220 HydrophobicContact CG2-CB 4.34Å; V193-F220 HydrophobicContact CG2-CD1 4.26Å; V193-F220 HydrophobicContact CG2-CD2 3.57Å; V193-F220 HydrophobicContact CG2-CE1 4.47Å; V193-F220 HydrophobicContact CG2-CE2 3.82Å; V193-F220 HydrophobicContact CG2-CG 3.8Å; V193-F220 HydrophobicContact CG2-CZ 4.27Å
194I98Very high93Very high0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-102.9120-176.9-57.8-55.7000110.8C172 A175 A178 I192 V196 F201 L204 Y215 S216 F217C172-I194 HydrophobicContact CB-CD1 3.86Å; C172-I194 CarbonylContact O-C 3.53Å; C172-I194 WeakPolarHBondContact O-CA 3.14Å; A175-I194 HydrophobicContact CB-CG2 4.48Å; A178-I194 HydrophobicContact CB-CD1 3.85Å; I192-I194 HydrophobicContact CG2-CD1 3.48Å; I192-I194 VanDerWaalsContact CG2-CD1 3.48Å; I192-I194 HydrophobicContact CG2-CG1 4.21Å; I194-V196 VanDerWaalsContact CG2-O 3.22Å; I194-V196 WeakPolarHBondContact CG2-O 3.36Å; I194-F201 HydrophobicContact CB-CD2 3.92Å; I194-F201 HydrophobicContact CB-CE2 3.95Å; I194-F201 HydrophobicContact CG1-CD2 3.87Å; I194-F201 HydrophobicContact CG1-CE2 3.93Å; I194-F201 HydrophobicContact CG2-CD2 4.11Å; I194-L204 HydrophobicContact CD1-CD2 3.75Å; I194-L204 HydrophobicContact CG1-CD2 3.82Å; I194-Y215 PolarHBondContact N-O 3.47Å; I194-S216 CarbonylContact O-C 3.59Å; I194-F217 WeakPolarHBondContact O-CB 3.47Å; I194-F217 PolarHBondContact O-N 2.88Å
195A96.3Very high93.2Very high9 Ų947 Ų477%0.07425%0.245CC..SBendtrans-69-43.9-175.600000113.8Q131 M171 C172 H173Q131-A195 HydrophobicContact CB-CB 3.76Å; Q131-A195 HydrophobicContact CG-CB 3.99Å; M171-A195 HydrophobicContact SD-CB 3.9Å; C172-A195 PolarHBondContact O-N 3.12Å; H173-A195 WeakPolarHBondContact O-CB 3.49Å
196V90.9Very high93.2Very high55 Ų5552 Ų5233%0.33328%0.277SS..SBendtrans-120.8122.6-178.7-178.70000108.6H173 I194H173-V196 PolarHBondContact O-N 3.07Å; I194-V196 VanDerWaalsContact CG2-O 3.22Å; I194-V196 WeakPolarHBondContact CG2-O 3.36Å
197Q86.5Confident93.3Very high106 Ų10650.3 Ų50.350%0.49527%0.265SS..  trans-83.6127.5175.9-66.1-179.367.600109.9F201 S216Q197-F201 HydrophobicContact CG-CD1 4.36Å; Q197-F201 HydrophobicContact CG-CG 4.39Å; Q197-S216 VanDerWaalsContact CD-CB 3.4Å; Q197-S216 VanDerWaalsContact NE2-CB 3.29Å; Q197-S216 PolarHBondContact NE2-OG 3.19Å
198D86.6Confident93.4Very high64 Ų6449.8 Ų49.834%0.34226%0.257SS..  trans-135.5-175.1171.255.723.5000109.1S200 F201D198-S200 PolarHBondContact O-N 2.66Å; D198-S200 WeakPolarHBondContact OD1-CB 3.31Å; D198-S200 PolarHBondContact OD1-N 2.94Å; D198-F201 VanDerWaalsContact O-CB 3.28Å; D198-F201 WeakPolarHBondContact O-CB 3.49Å; D198-F201 PolarHBondContact O-N 2.85Å; D198-F201 VanDerWaalsContact O-N 3.07Å; D198-F201 PolarHBondContact OD1-N 2.81Å
199Q83.8Confident93.4Very high149 Ų14951.6 Ų51.670%0.69626%0.261SS*.THydrogen-bonded Turntrans-57.1-32.7-179-173.658.956.400112.5F201 E202Q199-F201 PolarHBondContact O-N 2.98Å; Q199-E202 PolarHBondContact O-N 2.86Å
200S91.3Very high93.3Very high20 Ų2056.9 Ų56.914%0.1430%0.299CS..Hα-helixtrans-69.8-14-178.9-53.50000113.2A175 D176 D198 D203 L204A175-S200 VanDerWaalsContact CB-C 3.44Å; A175-S200 WeakPolarHBondContact CB-O 3.34Å; D176-S200 WeakPolarHBondContact OD1-CB 3.4Å; D176-S200 PolarHBondContact OD1-OG 3.04Å; D198-S200 PolarHBondContact O-N 2.66Å; D198-S200 WeakPolarHBondContact OD1-CB 3.31Å; D198-S200 PolarHBondContact OD1-N 2.94Å; S200-D203 PolarHBondContact O-N 3.12Å; S200-L204 WeakPolarHBondContact O-CB 3.5Å; S200-L204 PolarHBondContact O-N 3.41Å
201F94Very high93.1Very high3 Ų355.3 Ų55.31%0.01330%0.301CS..Hα-helixtrans-63.7-41.6176.8-178.6-112000112.6A175 I194 Q197 D198 Q199 D203 L204 K205 I214A175-F201 HydrophobicContact CB-CB 4.37Å; I194-F201 HydrophobicContact CB-CD2 3.92Å; I194-F201 HydrophobicContact CB-CE2 3.95Å; I194-F201 HydrophobicContact CG1-CD2 3.87Å; I194-F201 HydrophobicContact CG1-CE2 3.93Å; I194-F201 HydrophobicContact CG2-CD2 4.11Å; Q197-F201 HydrophobicContact CG-CD1 4.36Å; Q197-F201 HydrophobicContact CG-CG 4.39Å; D198-F201 VanDerWaalsContact O-CB 3.28Å; D198-F201 WeakPolarHBondContact O-CB 3.49Å; D198-F201 PolarHBondContact O-N 2.85Å; D198-F201 VanDerWaalsContact O-N 3.07Å; D198-F201 PolarHBondContact OD1-N 2.81Å; Q199-F201 PolarHBondContact O-N 2.98Å; F201-D203 VanDerWaalsContact C-N 3.35Å; F201-L204 PolarHBondContact O-N 3.37Å; F201-K205 HydrophobicContact CD1-CD 4.44Å; F201-K205 HydrophobicContact CE1-CD 3.87Å; F201-K205 VanDerWaalsContact CE1-CE 3.46Å; F201-K205 VanDerWaalsContact CE1-NZ 3.31Å; F201-K205 HydrophobicContact CZ-CD 4.01Å; F201-K205 PolarHBondContact O-N 3.26Å; F201-I214 HydrophobicContact CE2-CG2 3.91Å
202E93.3Very high93Very high98 Ų9856.3 Ų56.346%0.45831%0.306SS..Hα-helixtrans-69.8-34.4176.7-66.3-56.1142.400111.7Q199 K205 T206Q199-E202 PolarHBondContact O-N 2.86Å; E202-K205 PolarHBondContact O-N 2.72Å; E202-T206 WeakPolarHBondContact O-CB 3.38Å; E202-T206 PolarHBondContact O-N 3.07Å; E202-T206 PolarHBondContact O-OG1 2.79Å
203D93.5Very high93Very high85 Ų8560.2 Ų60.246%0.45532%0.323SS..Hα-helixtrans-64.3-46.9174.9-64.3-24.8000110.7S200 F201 K205 T206 Q207S200-D203 PolarHBondContact O-N 3.12Å; F201-D203 VanDerWaalsContact C-N 3.35Å; D203-K205 PolarHBondContact O-N 3.49Å; D203-T206 PolarHBondContact O-N 2.99Å; D203-Q207 WeakPolarHBondContact O-CB 3.41Å; D203-Q207 PolarHBondContact O-N 3.1Å
204L95.7Very high92.9Very high0 Ų060.6 Ų60.60%033%0.325CS..Hα-helixtrans-58.2-46.6175.1178.673.4000111.4A175 A178 I179 L182 I194 S200 F201 Q207 Y208 I214A175-L204 HydrophobicContact CB-CB 4.12Å; A175-L204 HydrophobicContact CB-CD2 4.09Å; A178-L204 HydrophobicContact CB-CD1 4.09Å; A178-L204 HydrophobicContact CB-CD2 3.97Å; I179-L204 HydrophobicContact CD1-CB 4.22Å; I179-L204 HydrophobicContact CG1-CB 4.14Å; I179-L204 HydrophobicContact CG1-CD1 3.62Å; I179-L204 HydrophobicContact CG1-CG 4.45Å; L182-L204 HydrophobicContact CD1-CD1 3.91Å; I194-L204 HydrophobicContact CD1-CD2 3.75Å; I194-L204 HydrophobicContact CG1-CD2 3.82Å; S200-L204 WeakPolarHBondContact O-CB 3.5Å; S200-L204 PolarHBondContact O-N 3.41Å; F201-L204 PolarHBondContact O-N 3.37Å; L204-Q207 PolarHBondContact O-N 2.97Å; L204-Y208 HydrophobicContact CD1-CD2 3.77Å; L204-Y208 HydrophobicContact CD1-CE2 4.3Å; L204-Y208 PolarHBondContact O-N 3.37Å; L204-I214 HydrophobicContact CD2-CD1 4.43Å; L204-I214 HydrophobicContact CD2-CG2 3.89Å; L204-I214 HydrophobicContact CG-CD1 3.89Å; L204-I214 HydrophobicContact CG-CG1 4.48Å; L204-I214 HydrophobicContact CG-CG2 4.39Å; L204-I214 WeakPolarHBondContact O-CD1 3.42Å
205K94.5Very high92.9Very high39 Ų3962.5 Ų62.517%0.1733%0.333CS..Hα-helixtrans-60.6-49.2176.4-84-174.6169.91740111F201 E202 D203 Q207 Y208 N209 I214 E219F201-K205 HydrophobicContact CD1-CD 4.44Å; F201-K205 HydrophobicContact CE1-CD 3.87Å; F201-K205 VanDerWaalsContact CE1-CE 3.46Å; F201-K205 VanDerWaalsContact CE1-NZ 3.31Å; F201-K205 HydrophobicContact CZ-CD 4.01Å; F201-K205 PolarHBondContact O-N 3.26Å; E202-K205 PolarHBondContact O-N 2.72Å; D203-K205 PolarHBondContact O-N 3.49Å; K205-Q207 VanDerWaalsContact C-N 3.29Å; K205-Q207 PolarHBondContact O-N 3.37Å; K205-Y208 PolarHBondContact O-N 2.58Å; K205-N209 WeakPolarHBondContact O-CB 3.35Å; K205-N209 PolarHBondContact O-N 3.03Å; K205-I214 HydrophobicContact CG-CB 4.1Å; K205-I214 HydrophobicContact CG-CG2 3.8Å; K205-E219 IonicContact NZ-OE1 3.05Å; K205-E219 PolarHBondContact NZ-OE1 2.89Å; K205-E219 IonicContact NZ-OE2 3.68Å; K205-E219 PolarHBondContact NZ-OE2 2.62Å
206T93.6Very high93Very high121 Ų12162.2 Ų62.274%0.74233%0.33SS*.Hα-helixtrans-58.8-42.1-179.1-59.90000111.7E202 D203E202-T206 WeakPolarHBondContact O-CB 3.38Å; E202-T206 PolarHBondContact O-N 3.07Å; E202-T206 PolarHBondContact O-OG1 2.79Å; D203-T206 PolarHBondContact O-N 2.99Å
207Q94.3Very high93.4Very high94 Ų9460 Ų6044%0.43932%0.316SS..Hα-helixtrans-78-36.3-175.7-170.7176.22.200113.5D203 L204 K205D203-Q207 WeakPolarHBondContact O-CB 3.41Å; D203-Q207 PolarHBondContact O-N 3.1Å; L204-Q207 PolarHBondContact O-N 2.97Å; K205-Q207 VanDerWaalsContact C-N 3.29Å; K205-Q207 PolarHBondContact O-N 3.37Å
208Y95.7Very high93.9Very high33 Ų3358.9 Ų58.913%0.12931%0.313CS..Hα-helixtrans-122.4-10-166.4-66.6-79.3000116.2L182 E183 L204 K205 S210 S211 M212L182-Y208 HydrophobicContact CB-CE1 3.86Å; L182-Y208 HydrophobicContact CB-CE2 4.24Å; L182-Y208 HydrophobicContact CD1-CD1 3.82Å; L182-Y208 HydrophobicContact CD1-CD2 3.74Å; L182-Y208 HydrophobicContact CD1-CE1 3.94Å; L182-Y208 HydrophobicContact CD1-CE2 3.86Å; L182-Y208 HydrophobicContact CD1-CG 3.7Å; L182-Y208 HydrophobicContact CG-CE1 4.48Å; E183-Y208 WeakPolarHBondContact CG-OH 3.35Å; L204-Y208 HydrophobicContact CD1-CD2 3.77Å; L204-Y208 HydrophobicContact CD1-CE2 4.3Å; L204-Y208 PolarHBondContact O-N 3.37Å; K205-Y208 PolarHBondContact O-N 2.58Å; Y208-S210 PolarHBondContact O-N 2.84Å; Y208-S211 PolarHBondContact O-N 3.31Å; Y208-S211 PolarHBondContact O-OG 3.08Å; Y208-M212 HydrophobicContact CD1-CE 4.21Å; Y208-M212 WeakPolarHBondContact O-CG 3.34Å; Y208-M212 PolarHBondContact O-N 2.98Å; Y208-M212 VanDerWaalsContact O-N 3.09Å
209N91.3Very high94.5Very high97 Ų9759.3 Ų59.352%0.51931%0.313SS..THydrogen-bonded Turntrans-63.7-16.8-175.6-167.749.4000114.1K205 S211 M212 I214K205-N209 WeakPolarHBondContact O-CB 3.35Å; K205-N209 PolarHBondContact O-N 3.03Å; N209-S211 VanDerWaalsContact C-N 3.35Å; N209-M212 CarbonylContact C-O 3.55Å; N209-M212 WeakPolarHBondContact CA-O 3.47Å; N209-I214 HydrophobicContact CB-CD1 4.47Å
210S92.5Very high95.2Very high119 Ų11952.2 Ų52.283%0.83228%0.28SS*.THydrogen-bonded Turntrans-75.4-22.117259.20000113.6Y208Y208-S210 PolarHBondContact O-N 2.84Å
211S91.5Very high95.5Very high69 Ų6951.2 Ų51.248%0.48327%0.273SS..THydrogen-bonded Turntrans-110.3-21.6-173.869.40000113.9Y208 N209Y208-S211 PolarHBondContact O-N 3.31Å; Y208-S211 PolarHBondContact O-OG 3.08Å; N209-S211 VanDerWaalsContact C-N 3.35Å
212M94.8Very high95.8Very high21 Ų2155.3 Ų55.310%0.10330%0.295CS..SBendtrans-154164.1-178.162.3-178.576.700111.3L182 K190 I192 Y208 N209 I214L182-M212 HydrophobicContact CD1-CE 3.84Å; L182-M212 HydrophobicContact CD1-SD 3.81Å; L182-M212 HydrophobicContact CD2-CE 3.41Å; L182-M212 VanDerWaalsContact CD2-CE 3.41Å; L182-M212 HydrophobicContact CD2-SD 4.03Å; L182-M212 HydrophobicContact CG-CE 4.26Å; K190-M212 WeakPolarHBondContact O-CA 3.27Å; K190-M212 VanDerWaalsContact O-CB 3.29Å; K190-M212 WeakPolarHBondContact O-CB 3.35Å; I192-M212 HydrophobicContact CD1-SD 3.73Å; I192-M212 HydrophobicContact CG1-SD 4.02Å; Y208-M212 HydrophobicContact CD1-CE 4.21Å; Y208-M212 WeakPolarHBondContact O-CG 3.34Å; Y208-M212 PolarHBondContact O-N 2.98Å; Y208-M212 VanDerWaalsContact O-N 3.09Å; N209-M212 CarbonylContact C-O 3.55Å; N209-M212 WeakPolarHBondContact CA-O 3.47Å; M212-I214 HydrophobicContact CG-CD1 4.4Å; M212-I214 HydrophobicContact CG-CG1 4.24Å
213K96Very high96Very high83 Ų8352.2 Ų52.236%0.36128%0.281SS..EExtended strand (participates in β ladder)trans-88.6130.7175-62.6-176.3169.5-167.40110.6I111 K190 V191 I192 Y215I111-K213 HydrophobicContact CD1-CD 4.38Å; K190-K213 PolarHBondContact O-N 3.21Å; V191-K213 CarbonylContact C-O 3.49Å; V191-K213 WeakPolarHBondContact CA-O 2.99Å; V191-K213 HydrophobicContact CG1-CB 4.47Å; V191-K213 HydrophobicContact CG2-CB 4.28Å; I192-K213 PolarHBondContact N-O 3.49Å; K213-Y215 HydrophobicContact CB-CD2 4.36Å; K213-Y215 HydrophobicContact CB-CE2 3.67Å; K213-Y215 HydrophobicContact CD-CE2 4.2Å
214I97.5Very high96.3Very high8 Ų848.2 Ų48.24%0.04126%0.26CS..EExtended strand (participates in β ladder)trans-120.8124.3178.4-64.2157000108.7I192 F201 L204 K205 N209 M212I192-I214 WeakPolarHBondContact O-CA 3.49Å; F201-I214 HydrophobicContact CE2-CG2 3.91Å; L204-I214 HydrophobicContact CD2-CD1 4.43Å; L204-I214 HydrophobicContact CD2-CG2 3.89Å; L204-I214 HydrophobicContact CG-CD1 3.89Å; L204-I214 HydrophobicContact CG-CG1 4.48Å; L204-I214 HydrophobicContact CG-CG2 4.39Å; L204-I214 WeakPolarHBondContact O-CD1 3.42Å; K205-I214 HydrophobicContact CG-CB 4.1Å; K205-I214 HydrophobicContact CG-CG2 3.8Å; N209-I214 HydrophobicContact CB-CD1 4.47Å; M212-I214 HydrophobicContact CG-CD1 4.4Å; M212-I214 HydrophobicContact CG-CG1 4.24Å
215Y97.9Very high96.4Very high40 Ų4053.3 Ų53.316%0.15728%0.28CS..EExtended strand (participates in β ladder)trans-121143.5177-62.5-87.8000109.8I111 V191 I192 V193 I194 K213 E219 F220 L223I111-Y215 HydrophobicContact CD1-CE2 4.35Å; V191-Y215 HydrophobicContact CG1-CD2 4.04Å; V191-Y215 HydrophobicContact CG1-CE2 4.1Å; I192-Y215 PolarHBondContact O-N 3.09Å; V193-Y215 CarbonylContact C-O 3.5Å; V193-Y215 WeakPolarHBondContact CA-O 3.4Å; I194-Y215 PolarHBondContact N-O 3.47Å; K213-Y215 HydrophobicContact CB-CD2 4.36Å; K213-Y215 HydrophobicContact CB-CE2 3.67Å; K213-Y215 HydrophobicContact CD-CE2 4.2Å; Y215-E219 WeakPolarHBondContact CA-OE2 3.26Å; Y215-E219 HydrophobicContact CD1-CB 4.17Å; Y215-F220 HydrophobicContact CD1-CD2 4.47Å; Y215-F220 AromaticContact CD2-CD2 3.85Å; Y215-F220 HydrophobicContact CD2-CD2 3.85Å; Y215-F220 HydrophobicContact CD2-CE2 4.34Å; Y215-F220 HydrophobicContact CE2-CD2 4.4Å; Y215-F220 AromaticContact CG-CD2 3.89Å; Y215-F220 HydrophobicContact CG-CD2 3.89Å; Y215-L223 HydrophobicContact CE1-CD2 4.21Å
216S98Very high96.6Very high3 Ų355.8 Ų55.82%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-69.8161.6154.478.10000109.4I194 Q197 D218 E219 F220I194-S216 CarbonylContact O-C 3.59Å; Q197-S216 VanDerWaalsContact CD-CB 3.4Å; Q197-S216 VanDerWaalsContact NE2-CB 3.29Å; Q197-S216 PolarHBondContact NE2-OG 3.19Å; S216-D218 VanDerWaalsContact C-N 3.26Å; S216-D218 PolarHBondContact O-N 3.42Å; S216-E219 PolarHBondContact N-OE2 3.44Å; S216-E219 PolarHBondContact O-N 3.06Å; S216-E219 WeakPolarHBondContact OG-CB 3.29Å; S216-E219 VanDerWaalsContact OG-CG 3.25Å; S216-E219 WeakPolarHBondContact OG-CG 3.39Å; S216-E219 PolarHBondContact OG-N 2.93Å; S216-F220 WeakPolarHBondContact O-CB 3.31Å; S216-F220 PolarHBondContact O-N 3.34Å
217F98.6Very high96.8Very high7 Ų753.6 Ų53.63%0.03129%0.286CS..Hα-helixtrans-57.4-42.2177-168-99.6000111.9F104 Q131 I134 V193 I194 F220 L221F104-F217 HydrophobicContact CD2-CD2 4.26Å; F104-F217 AromaticContact CD2-CE2 3.57Å; F104-F217 HydrophobicContact CD2-CE2 3.57Å; F104-F217 AromaticContact CD2-CZ 3.93Å; F104-F217 HydrophobicContact CD2-CZ 3.93Å; F104-F217 AromaticContact CE2-CD2 3.91Å; F104-F217 HydrophobicContact CE2-CD2 3.91Å; F104-F217 AromaticContact CE2-CE2 3.47Å; F104-F217 HydrophobicContact CE2-CE2 3.47Å; F104-F217 VanDerWaalsContact CE2-CE2 3.47Å; F104-F217 HydrophobicContact CE2-CZ 4.3Å; Q131-F217 HydrophobicContact CB-CD1 4.33Å; Q131-F217 HydrophobicContact CB-CD2 3.77Å; Q131-F217 HydrophobicContact CB-CE1 4.18Å; Q131-F217 HydrophobicContact CB-CE2 3.62Å; Q131-F217 HydrophobicContact CB-CG 4.13Å; Q131-F217 HydrophobicContact CB-CZ 3.84Å; Q131-F217 HydrophobicContact CG-CB 4.29Å; Q131-F217 HydrophobicContact CG-CD1 3.59Å; Q131-F217 HydrophobicContact CG-CD2 3.83Å; Q131-F217 HydrophobicContact CG-CE1 3.73Å; Q131-F217 HydrophobicContact CG-CE2 3.98Å; Q131-F217 HydrophobicContact CG-CG 3.63Å; Q131-F217 HydrophobicContact CG-CZ 3.94Å; I134-F217 HydrophobicContact CB-CZ 4.05Å; I134-F217 HydrophobicContact CD1-CZ 4.48Å; I134-F217 HydrophobicContact CG2-CZ 3.85Å; V193-F217 HydrophobicContact CG1-CD2 4.27Å; I194-F217 WeakPolarHBondContact O-CB 3.47Å; I194-F217 PolarHBondContact O-N 2.88Å; F217-F220 PolarHBondContact O-N 2.97Å; F217-L221 HydrophobicContact CD1-CD1 3.87Å; F217-L221 HydrophobicContact CD1-CG 4.14Å; F217-L221 HydrophobicContact CE1-CD1 3.66Å; F217-L221 HydrophobicContact CE1-CD2 4.22Å; F217-L221 HydrophobicContact CE1-CG 4Å; F217-L221 HydrophobicContact CZ-CD2 4.42Å; F217-L221 WeakPolarHBondContact O-CG 3.33Å; F217-L221 PolarHBondContact O-N 3.27Å
218D98.2Very high97Very high83 Ų8353.4 Ų53.444%0.44429%0.287SS..Hα-helixtrans-70.5-39.8178.9-68.5-44.3000112.2S216 F220 L221 D222S216-D218 VanDerWaalsContact C-N 3.26Å; S216-D218 PolarHBondContact O-N 3.42Å; D218-F220 PolarHBondContact O-N 2.82Å; D218-L221 PolarHBondContact O-N 2.96Å; D218-L221 VanDerWaalsContact O-N 3.16Å; D218-D222 WeakPolarHBondContact O-CB 3.17Å; D218-D222 PolarHBondContact O-N 3.38Å
219E98.1Very high97.1Very high73 Ų7354.5 Ų54.534%0.34129%0.293SS..Hα-helixtrans-58.2-38.7172.1-74.3172.7156.600111.2K205 Y215 S216 D222 L223K205-E219 IonicContact NZ-OE1 3.05Å; K205-E219 PolarHBondContact NZ-OE1 2.89Å; K205-E219 IonicContact NZ-OE2 3.68Å; K205-E219 PolarHBondContact NZ-OE2 2.62Å; Y215-E219 WeakPolarHBondContact CA-OE2 3.26Å; Y215-E219 HydrophobicContact CD1-CB 4.17Å; S216-E219 PolarHBondContact N-OE2 3.44Å; S216-E219 PolarHBondContact O-N 3.06Å; S216-E219 WeakPolarHBondContact OG-CB 3.29Å; S216-E219 VanDerWaalsContact OG-CG 3.25Å; S216-E219 WeakPolarHBondContact OG-CG 3.39Å; S216-E219 PolarHBondContact OG-N 2.93Å; E219-D222 PolarHBondContact O-N 3.03Å; E219-L223 PolarHBondContact O-N 3.25Å
220F98.7Very high97.4Very high0 Ų054.7 Ų54.70%030%0.299CS..Hα-helixtrans-71.3-37.7177.4-160.3-101000112.4F104 A107 L108 I111 I169 V193 Y215 S216 F217 D218 L223 G224F104-F220 HydrophobicContact CD1-CD1 4.4Å; F104-F220 HydrophobicContact CD1-CE1 4.03Å; F104-F220 AromaticContact CD2-CD1 3.61Å; F104-F220 HydrophobicContact CD2-CD1 3.61Å; F104-F220 HydrophobicContact CD2-CE1 4.07Å; F104-F220 HydrophobicContact CE1-CD1 4.28Å; F104-F220 AromaticContact CE1-CE1 3.8Å; F104-F220 HydrophobicContact CE1-CE1 3.8Å; F104-F220 AromaticContact CE2-CD1 3.47Å; F104-F220 HydrophobicContact CE2-CD1 3.47Å; F104-F220 VanDerWaalsContact CE2-CD1 3.47Å; F104-F220 AromaticContact CE2-CE1 3.85Å; F104-F220 HydrophobicContact CE2-CE1 3.85Å; F104-F220 HydrophobicContact CE2-CG 4.43Å; F104-F220 HydrophobicContact CG-CD1 4.08Å; F104-F220 HydrophobicContact CG-CE1 4.15Å; F104-F220 AromaticContact CZ-CD1 3.83Å; F104-F220 HydrophobicContact CZ-CD1 3.83Å; F104-F220 AromaticContact CZ-CE1 3.71Å; F104-F220 HydrophobicContact CZ-CE1 3.71Å; A107-F220 HydrophobicContact CB-CD1 3.67Å; A107-F220 HydrophobicContact CB-CD2 4.34Å; A107-F220 HydrophobicContact CB-CE1 3.4Å; A107-F220 HydrophobicContact CB-CE2 4.12Å; A107-F220 HydrophobicContact CB-CG 4.15Å; A107-F220 HydrophobicContact CB-CZ 3.64Å; A107-F220 WeakPolarHBondContact CB-O 3.18Å; L108-F220 HydrophobicContact CD2-CE1 4.28Å; L108-F220 HydrophobicContact CD2-CZ 4.1Å; L108-F220 HydrophobicContact CG-CE1 4.22Å; L108-F220 HydrophobicContact CG-CZ 4.4Å; I111-F220 HydrophobicContact CG1-CE2 3.98Å; I111-F220 HydrophobicContact CG1-CZ 4.36Å; I169-F220 HydrophobicContact CD1-CE2 4.37Å; I169-F220 HydrophobicContact CD1-CZ 4.11Å; V193-F220 HydrophobicContact CG1-CB 3.88Å; V193-F220 HydrophobicContact CG1-CG 4.13Å; V193-F220 HydrophobicContact CG2-CB 4.34Å; V193-F220 HydrophobicContact CG2-CD1 4.26Å; V193-F220 HydrophobicContact CG2-CD2 3.57Å; V193-F220 HydrophobicContact CG2-CE1 4.47Å; V193-F220 HydrophobicContact CG2-CE2 3.82Å; V193-F220 HydrophobicContact CG2-CG 3.8Å; V193-F220 HydrophobicContact CG2-CZ 4.27Å; Y215-F220 HydrophobicContact CD1-CD2 4.47Å; Y215-F220 AromaticContact CD2-CD2 3.85Å; Y215-F220 HydrophobicContact CD2-CD2 3.85Å; Y215-F220 HydrophobicContact CD2-CE2 4.34Å; Y215-F220 HydrophobicContact CE2-CD2 4.4Å; Y215-F220 AromaticContact CG-CD2 3.89Å; Y215-F220 HydrophobicContact CG-CD2 3.89Å; S216-F220 WeakPolarHBondContact O-CB 3.31Å; S216-F220 PolarHBondContact O-N 3.34Å; F217-F220 PolarHBondContact O-N 2.97Å; D218-F220 PolarHBondContact O-N 2.82Å; F220-L223 WeakPolarHBondContact O-CB 3.39Å; F220-G224 PolarHBondContact O-N 3.11Å
221L98.8Very high97.6Very high0 Ų051.2 Ų51.20%027%0.269CS..Hα-helixtrans-64.2-41.5171.5-67.3-179.6000111.3K100 A103 F104 F217 D218 G224 R225K100-L221 HydrophobicContact CB-CD1 4.45Å; K100-L221 HydrophobicContact CB-CD2 4.33Å; K100-L221 HydrophobicContact CD-CD1 4.17Å; K100-L221 HydrophobicContact CG-CD1 4.01Å; K100-L221 WeakPolarHBondContact O-CD2 3.4Å; A103-L221 HydrophobicContact CB-CB 4.38Å; A103-L221 HydrophobicContact CB-CD2 3.98Å; F104-L221 HydrophobicContact CB-CD2 3.75Å; F104-L221 HydrophobicContact CD2-CD2 4.14Å; F104-L221 HydrophobicContact CG-CD2 4.47Å; F217-L221 HydrophobicContact CD1-CD1 3.87Å; F217-L221 HydrophobicContact CD1-CG 4.14Å; F217-L221 HydrophobicContact CE1-CD1 3.66Å; F217-L221 HydrophobicContact CE1-CD2 4.22Å; F217-L221 HydrophobicContact CE1-CG 4Å; F217-L221 HydrophobicContact CZ-CD2 4.42Å; F217-L221 WeakPolarHBondContact O-CG 3.33Å; F217-L221 PolarHBondContact O-N 3.27Å; D218-L221 PolarHBondContact O-N 2.96Å; D218-L221 VanDerWaalsContact O-N 3.16Å; L221-G224 PolarHBondContact O-N 3.04Å; L221-G224 VanDerWaalsContact O-N 3.16Å; L221-R225 WeakPolarHBondContact O-CG 3.13Å; L221-R225 PolarHBondContact O-N 3.26Å
222D98.8Very high97.8Very high89 Ų8951.1 Ų51.148%0.47626%0.262SS..Hα-helixtrans-65-38.9179.1-73.3-21.4000112.2D218 E219 G224 R225 S226D218-D222 WeakPolarHBondContact O-CB 3.17Å; D218-D222 PolarHBondContact O-N 3.38Å; E219-D222 PolarHBondContact O-N 3.03Å; D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 3.27Å; D222-R225 PolarHBondContact O-N 3.43Å; D222-R225 IonicContact OD1-CZ 2.73Å; D222-R225 IonicContact OD1-NH1 3.34Å; D222-R225 PolarHBondContact OD1-NH1 3.05Å; D222-S226 PolarHBondContact O-N 2.74Å
223L98.5Very high97.9Very high32 Ų3254.2 Ų54.217%0.16828%0.284CS..Hα-helixtrans-52.7-49.6169.7-17766.4000110.5A107 E110 I111 Y215 E219 F220 S226A107-L223 HydrophobicContact CB-CB 4.29Å; A107-L223 HydrophobicContact CB-CD2 4.19Å; A107-L223 HydrophobicContact CB-CG 4.33Å; E110-L223 WeakPolarHBondContact OE2-CD1 3.48Å; E110-L223 WeakPolarHBondContact OE2-CG 3.49Å; I111-L223 HydrophobicContact CD1-CD2 4.2Å; I111-L223 HydrophobicContact CG1-CD2 4.22Å; Y215-L223 HydrophobicContact CE1-CD2 4.21Å; E219-L223 PolarHBondContact O-N 3.25Å; F220-L223 WeakPolarHBondContact O-CB 3.39Å; L223-S226 WeakPolarHBondContact O-CB 3.4Å; L223-S226 PolarHBondContact O-N 3.2Å; L223-S226 PolarHBondContact O-OG 3.2Å
224G98.7Very high97.9Very high1 Ų150.8 Ų50.81%0.0127%0.27CS..Hα-helixtrans-69.2-34.217900000114.5A103 F220 L221 D222 S226 D227 L228A103-G224 VanDerWaalsContact O-CA 3.32Å; A103-G224 WeakPolarHBondContact O-CA 3.41Å; F220-G224 PolarHBondContact O-N 3.11Å; L221-G224 PolarHBondContact O-N 3.04Å; L221-G224 VanDerWaalsContact O-N 3.16Å; D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 3.27Å; G224-S226 VanDerWaalsContact C-N 3.27Å; G224-S226 PolarHBondContact O-N 3.46Å; G224-D227 CarbonylContact O-C 3.21Å; G224-D227 VanDerWaalsContact O-C 3.24Å; G224-D227 PolarHBondContact O-N 3.41Å; G224-L228 WeakPolarHBondContact O-CA 3.47Å; G224-L228 WeakPolarHBondContact O-CD2 3.45Å; G224-L228 PolarHBondContact O-N 2.69Å
225R98.6Very high97.9Very high107 Ų10754.1 Ų54.140%0.40429%0.291SS..Hα-helixtrans-65.7-31.7174-72.8180-170.3106.38.9112.2A103 L221 D222 D227A103-R225 HydrophobicContact CB-CG 3.95Å; L221-R225 WeakPolarHBondContact O-CG 3.13Å; L221-R225 PolarHBondContact O-N 3.26Å; D222-R225 PolarHBondContact O-N 3.43Å; D222-R225 IonicContact OD1-CZ 2.73Å; D222-R225 IonicContact OD1-NH1 3.34Å; D222-R225 PolarHBondContact OD1-NH1 3.05Å; R225-D227 PolarHBondContact O-N 3.17Å
226S98.2Very high97.8Very high92 Ų9255 Ų5564%0.64330%0.297SS*.Hα-helixtrans-66-24.9179.2800000112.9D222 L223 G224D222-S226 PolarHBondContact O-N 2.74Å; L223-S226 WeakPolarHBondContact O-CB 3.4Å; L223-S226 PolarHBondContact O-N 3.2Å; L223-S226 PolarHBondContact O-OG 3.2Å; G224-S226 VanDerWaalsContact C-N 3.27Å; G224-S226 PolarHBondContact O-N 3.46Å
227D97.8Very high97.7Very high75 Ų7561.6 Ų61.640%0.40133%0.325SS..THydrogen-bonded Turntrans-15175179-174.79.3000111.1G224 R225 K229G224-D227 CarbonylContact O-C 3.21Å; G224-D227 VanDerWaalsContact O-C 3.24Å; G224-D227 PolarHBondContact O-N 3.41Å; R225-D227 PolarHBondContact O-N 3.17Å; D227-K229 PolarHBondContact O-N 2.92Å; D227-K229 IonicContact OD1-NZ 2.88Å; D227-K229 PolarHBondContact OD1-NZ 3.38Å; D227-K229 VanDerWaalsContact OD2-CE 3.27Å; D227-K229 WeakPolarHBondContact OD2-CE 3.46Å; D227-K229 IonicContact OD2-NZ 2.77Å; D227-K229 PolarHBondContact OD2-NZ 3.21Å
228L98.6Very high97.7Very high90 Ų9064.6 Ų64.647%0.47134%0.341SS..PPolyproline II helixtrans-61.5127.1-178.6-71.4173.7000111.6Q102 G224Q102-L228 HydrophobicContact CG-CD2 4.15Å; G224-L228 WeakPolarHBondContact O-CA 3.47Å; G224-L228 WeakPolarHBondContact O-CD2 3.45Å; G224-L228 PolarHBondContact O-N 2.69Å
229K97.8Very high97.6Very high56 Ų5662.6 Ų62.624%0.24333%0.331CS..PPolyproline II helixtrans-101.5144.4175.8-56.1-54-179.2-167.70111S106 V109 Y142 D227S106-K229 PolarHBondContact OG-N 3.13Å; V109-K229 HydrophobicContact CB-CG 4.17Å; V109-K229 HydrophobicContact CG1-CG 4.1Å; Y142-K229 HydrophobicContact CE1-CB 4.24Å; Y142-K229 PolarHBondContact OH-O 3.46Å; D227-K229 PolarHBondContact O-N 2.92Å; D227-K229 IonicContact OD1-NZ 2.88Å; D227-K229 PolarHBondContact OD1-NZ 3.38Å; D227-K229 VanDerWaalsContact OD2-CE 3.27Å; D227-K229 WeakPolarHBondContact OD2-CE 3.46Å; D227-K229 IonicContact OD2-NZ 2.77Å; D227-K229 PolarHBondContact OD2-NZ 3.21Å
230P97.4Very high97.6Very high101 Ų10159.1 Ų59.166%0.65632%0.315SS*.PPolyproline II helixtrans-60.1145.5168.827.6-33.9000110.1Y142Y142-P230 WeakPolarHBondContact CE1-O 3.21Å
231K97.5Very high97.5Very high45 Ų4559.1 Ų59.120%0.19632%0.315CS..PPolyproline II helixtrans-56.3143.4171.6-72.7172.4175.5141.20109.4M63 D98 C141 Y142 P233M63-K231 HydrophobicContact CE-CB 4.09Å; M63-K231 HydrophobicContact CE-CD 3.92Å; D98-K231 IonicContact OD1-NZ 3.79Å; D98-K231 PolarHBondContact OD1-NZ 3.4Å; D98-K231 IonicContact OD2-NZ 3.83Å; D98-K231 PolarHBondContact OD2-NZ 3.32Å; C141-K231 HydrophobicContact CB-CD 4.08Å; C141-K231 HydrophobicContact CB-CG 4.11Å; C141-K231 WeakPolarHBondContact O-CB 3.17Å; Y142-K231 HydrophobicContact CD2-CG 4.4Å; Y142-K231 HydrophobicContact CE2-CB 4.41Å; Y142-K231 HydrophobicContact CE2-CG 3.71Å; K231-P233 VanDerWaalsContact O-CD 3.31Å; K231-P233 WeakPolarHBondContact O-CD 3.45Å
232I96Very high97.5Very high67 Ų6759.1 Ų59.134%0.34432%0.315SS..  trans-111.786.7179.2-54.4172000106V109 C141 Y142 S143V109-I232 HydrophobicContact CG2-CD1 3.87Å; C141-I232 CarbonylContact O-C 3.58Å; C141-I232 PolarHBondContact O-N 3.07Å; Y142-I232 CarbonylContact C-O 3.24Å; Y142-I232 WeakPolarHBondContact CA-O 3.27Å; Y142-I232 HydrophobicContact CD1-CD1 4.36Å; Y142-I232 HydrophobicContact CD1-CG1 4.16Å; S143-I232 PolarHBondContact N-O 3Å; S143-I232 PolarHBondContact OG-O 2.6Å
233P95.5Very high97.3Very high86 Ų8654.9 Ų54.956%0.55829%0.292SS*.PPolyproline II helixtrans-64.8136.3-169.226.2-34.4000111M63 S143 K231M63-P233 HydrophobicContact CE-CB 4.22Å; M63-P233 HydrophobicContact SD-CB 3.87Å; S143-P233 PolarHBondContact OG-O 3.33Å; K231-P233 VanDerWaalsContact O-CD 3.31Å; K231-P233 WeakPolarHBondContact O-CD 3.45Å
234P96Very high97Very high11 Ų1153.5 Ų53.57%0.07128%0.284CS..PPolyproline II helixtrans-76.4163.6175.433.4-35.5000110.7T61 F140 S143 D238 H259T61-P234 HydrophobicContact CG2-CG 4.13Å; F140-P234 WeakPolarHBondContact O-CD 3.32Å; F140-P234 WeakPolarHBondContact O-CG 3.38Å; S143-P234 VanDerWaalsContact OG-CA 3.26Å; S143-P234 WeakPolarHBondContact OG-CA 3.4Å; P234-D238 HydrophobicContact CB-CB 4.2Å; P234-H259 WeakPolarHBondContact CB-NE2 3.27Å; P234-H259 VanDerWaalsContact CG-NE2 3.35Å; P234-H259 WeakPolarHBondContact CG-NE2 3.18Å
235T97.4Very high96.2Very high79 Ų7954.6 Ų54.649%0.48529%0.291SS..PPolyproline II helixtrans-84.4160.9161.474.60000110.5K237 D238T235-K237 PolarHBondContact O-N 3.44Å; T235-K237 VanDerWaalsContact O-N 3.08Å; T235-K237 PolarHBondContact OG1-N 3.22Å; T235-D238 WeakPolarHBondContact CA-OD2 3.48Å; T235-D238 WeakPolarHBondContact CB-OD2 3.33Å; T235-D238 PolarHBondContact N-OD2 3.32Å; T235-D238 PolarHBondContact O-N 2.93Å; T235-D238 VanDerWaalsContact O-N 3.17Å; T235-D238 PolarHBondContact OG1-OD1 3.33Å; T235-D238 PolarHBondContact OG1-OD2 2.8Å
236E96.7Very high94.8Very high59 Ų5951.9 Ų51.928%0.27629%0.288SS..THydrogen-bonded Turntrans-49.1-34.5173-71.3177.3-132.100113.1K60 E260K60-E236 HydrophobicContact CB-CG 3.63Å; K60-E236 VanDerWaalsContact CD-OE1 3.27Å; K60-E236 WeakPolarHBondContact CD-OE1 3.42Å; K60-E236 WeakPolarHBondContact CE-OE1 3.47Å; K60-E236 HydrophobicContact CG-CG 4.19Å; K60-E236 WeakPolarHBondContact CG-OE1 3.45Å; K60-E236 IonicContact NZ-OE1 3.79Å; K60-E236 PolarHBondContact NZ-OE1 2.91Å; E236-E260 HydrophobicContact CB-CB 4.11Å; E236-E260 WeakPolarHBondContact O-CB 3.23Å; E236-E260 WeakPolarHBondContact O-CG 3.4Å; E236-E260 PolarHBondContact O-N 3.02Å
237K96.8Very high92.7Very high140 Ų14048.5 Ų48.561%0.60927%0.268SS*.THydrogen-bonded Turntrans-88.2-12.8-172.3-68.3-177.7177.9179.80114T235 K487T235-K237 PolarHBondContact O-N 3.44Å; T235-K237 VanDerWaalsContact O-N 3.08Å; T235-K237 PolarHBondContact OG1-N 3.22Å; K237-K487 PolarHBondContact O-NZ 2.81Å
238D96.7Very high90.5Very high70 Ų7049 Ų4937%0.37428%0.277SS..SBendtrans-71.5148.7-178.5-66-38.3000111.2P234 T235 S258 H259P234-D238 HydrophobicContact CB-CB 4.2Å; T235-D238 WeakPolarHBondContact CA-OD2 3.48Å; T235-D238 WeakPolarHBondContact CB-OD2 3.33Å; T235-D238 PolarHBondContact N-OD2 3.32Å; T235-D238 PolarHBondContact O-N 2.93Å; T235-D238 VanDerWaalsContact O-N 3.17Å; T235-D238 PolarHBondContact OG1-OD1 3.33Å; T235-D238 PolarHBondContact OG1-OD2 2.8Å; D238-S258 CarbonylContact O-C 3.35Å; D238-S258 WeakPolarHBondContact O-CA 3.41Å; D238-S258 WeakPolarHBondContact O-CB 3.23Å; D238-H259 PolarHBondContact O-CD2 3.42Å; D238-H259 PolarHBondContact O-N 3.47Å
239L96.8Very high88.2Confident42 Ų4249.1 Ų49.122%0.2228%0.282CS..EExtended strand (participates in β ladder)trans-73127.4-180-64.1-174.6000111T145 I242 M256T145-L239 HydrophobicContact CG2-CB 3.8Å; T145-L239 WeakPolarHBondContact OG1-CB 3.44Å; T145-L239 PolarHBondContact OG1-O 2.96Å; L239-I242 HydrophobicContact CD1-CG1 4.5Å; L239-M256 HydrophobicContact CD1-CB 4.28Å; L239-M256 HydrophobicContact CD1-CG 4.17Å; L239-M256 HydrophobicContact CD1-SD 4.12Å; L239-M256 HydrophobicContact CD2-CB 3.85Å
240C97.4Very high86.4Confident0 Ų049.2 Ų49.20%030%0.298CS..EExtended strand (participates in β ladder)trans-100.4-33.7171.167.90000111.7F140 V146 I257 H259F140-C240 HydrophobicContact CD1-CB 3.84Å; F140-C240 HydrophobicContact CE1-CB 3.66Å; F140-C240 WeakPolarHBondContact CE1-O 3.47Å; F140-C240 HydrophobicContact CZ-CB 4.38Å; V146-C240 PolarHBondContact N-O 3.44Å; C240-I257 PolarHBondContact N-O 2.94Å; C240-I257 PolarHBondContact SG-O 2.95Å; C240-I257 VanDerWaalsContact SG-O 3.41Å; C240-H259 VanDerWaalsContact CB-CE1 3.48Å; C240-H259 WeakPolarHBondContact CB-CE1 3.24Å
241L98.2Very high85.2Confident0 Ų049 Ų490%029%0.291CS..EExtended strand (participates in β ladder)trans-135.8144.6-178.2-65.5162.2000111.7F140 V146 P148 I257 L262 Q296F140-L241 HydrophobicContact CE1-CD2 4.39Å; F140-L241 HydrophobicContact CE1-CG 4.35Å; F140-L241 HydrophobicContact CZ-CD2 4.32Å; F140-L241 HydrophobicContact CZ-CG 4.3Å; V146-L241 HydrophobicContact CB-CD2 3.88Å; V146-L241 HydrophobicContact CG1-CD2 4.18Å; V146-L241 CarbonylContact O-C 3.6Å; V146-L241 WeakPolarHBondContact O-CA 3.14Å; P148-L241 HydrophobicContact CG-CD2 4.34Å; L241-I257 HydrophobicContact CB-CB 4.12Å; L241-I257 PolarHBondContact N-O 2.88Å; L241-I257 VanDerWaalsContact N-O 3.09Å; L241-I257 PolarHBondContact O-N 3.29Å; L241-L262 HydrophobicContact CD1-CD2 3.93Å; L241-Q296 HydrophobicContact CD1-CG 4.1Å
242I97.1Very high84.5Confident0 Ų047.1 Ų47.10%028%0.284CS..EExtended strand (participates in β ladder)trans-117.498.6158.1-63.1170.8000107.6F121 T145 V146 V147 P148 L239 Y244 V255 F490F121-I242 HydrophobicContact CD1-CD1 3.94Å; F121-I242 HydrophobicContact CE1-CD1 3.4Å; F121-I242 VanDerWaalsContact CE1-CD1 3.4Å; F121-I242 HydrophobicContact CZ-CD1 3.87Å; T145-I242 HydrophobicContact CG2-CD1 4.07Å; T145-I242 HydrophobicContact CG2-CG1 3.79Å; V146-I242 PolarHBondContact O-N 3.34Å; V147-I242 HydrophobicContact CG2-CB 4.4Å; P148-I242 WeakPolarHBondContact CD-O 3.48Å; L239-I242 HydrophobicContact CD1-CG1 4.5Å; I242-Y244 HydrophobicContact CG2-CD2 4.21Å; I242-Y244 HydrophobicContact CG2-CE2 3.72Å; I242-V255 WeakPolarHBondContact CA-O 3.37Å; I242-F490 HydrophobicContact CD1-CB 4.33Å; I242-F490 HydrophobicContact CD1-CD1 4.19Å; I242-F490 HydrophobicContact CD1-CD2 3.72Å; I242-F490 HydrophobicContact CD1-CE1 4.44Å; I242-F490 HydrophobicContact CD1-CE2 4.01Å; I242-F490 HydrophobicContact CD1-CG 3.81Å; I242-F490 HydrophobicContact CD1-CZ 4.35Å; I242-F490 HydrophobicContact CG2-CB 4.09Å; I242-F490 HydrophobicContact CG2-CG 4.45Å
243C95.6Very high84.2Confident0 Ų045.4 Ų45.40%027%0.274CS..EExtended strand (participates in β ladder)trans-94.1115.6-177.8-70.20000110V255 I257 T430C243-V255 PolarHBondContact N-O 2.96Å; C243-V255 WeakPolarHBondContact O-CB 3.31Å; C243-V255 PolarHBondContact O-N 3.18Å; C243-I257 HydrophobicContact CB-CD1 4.29Å; C243-T430 HydrophobicContact CB-CG2 3.52Å
244Y91.5Very high84.2Confident3 Ų341.3 Ų41.31%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-77.1129.2176.9-79.8-95.2000111.6V147 Y150 I161 Q164 T165 I242 A252 K253V147-Y244 HydrophobicContact CG1-CD2 4.3Å; V147-Y244 HydrophobicContact CG1-CE2 4.08Å; Y150-Y244 VanDerWaalsContact CE2-O 3.3Å; Y150-Y244 WeakPolarHBondContact CE2-O 3.26Å; Y150-Y244 PolarHBondContact OH-O 3.02Å; I161-Y244 HydrophobicContact CB-CE2 4.29Å; I161-Y244 HydrophobicContact CD1-CD1 4.09Å; I161-Y244 HydrophobicContact CD1-CD2 4.01Å; I161-Y244 HydrophobicContact CD1-CG 3.71Å; I161-Y244 HydrophobicContact CG1-CD1 3.57Å; I161-Y244 HydrophobicContact CG1-CD2 3.8Å; I161-Y244 HydrophobicContact CG1-CE1 3.71Å; I161-Y244 HydrophobicContact CG1-CE2 3.94Å; I161-Y244 HydrophobicContact CG1-CG 3.61Å; I161-Y244 HydrophobicContact CG2-CD2 3.93Å; I161-Y244 HydrophobicContact CG2-CE2 3.61Å; Q164-Y244 VanDerWaalsContact OE1-CE1 3.26Å; Q164-Y244 PolarHBondContact OE1-OH 3.45Å; T165-Y244 HydrophobicContact CG2-CE2 3.95Å; T165-Y244 WeakPolarHBondContact CG2-OH 3.11Å; I242-Y244 HydrophobicContact CG2-CD2 4.21Å; I242-Y244 HydrophobicContact CG2-CE2 3.72Å; Y244-A252 HydrophobicContact CD1-CB 4Å; Y244-K253 WeakPolarHBondContact CA-O 3.35Å
245T83.6Confident84.3Confident24 Ų2440.8 Ų40.815%0.14725%0.245CC..EExtended strand (participates in β ladder)trans-113.6147.1174.762.50000110.4G247 A252 K253 V255 T430T245-G247 PolarHBondContact O-N 3.26Å; T245-G247 VanDerWaalsContact O-N 3.11Å; T245-A252 CarbonylContact O-C 3.57Å; T245-A252 WeakPolarHBondContact O-CA 3.24Å; T245-A252 VanDerWaalsContact O-CB 3.27Å; T245-A252 WeakPolarHBondContact O-CB 3.38Å; T245-K253 PolarHBondContact N-O 2.53Å; T245-K253 PolarHBondContact O-N 2.96Å; T245-V255 HydrophobicContact CG2-CG2 3.85Å; T245-T430 HydrophobicContact CG2-CG2 3.88Å; T245-T430 WeakPolarHBondContact CG2-OG1 3.4Å
246S68Low84.3Confident50 Ų5038.8 Ų38.835%0.3523%0.23SC..  trans-67111.1173.353.40000109.2
247G54.9Low84.4Confident20 Ų2036 Ų3621%0.20622%0.217CC..  trans-67.1142.7171.100000110.4T245 T249T245-G247 PolarHBondContact O-N 3.26Å; T245-G247 VanDerWaalsContact O-N 3.11Å; G247-T249 PolarHBondContact O-N 3.08Å
248S51.4Low84.4Confident87 Ų8729.3 Ų29.361%0.60819%0.188SC*.SBendtrans-68.7-19.8175.449.80000113.2
249T50.8Low84.5Confident92 Ų9226 Ų2656%0.56417%0.171SC*.SBendtrans-119.13-168.257.70000114.8G247G247-T249 PolarHBondContact O-N 3.08Å
250G59Low84.5Confident57 Ų5725.3 Ų25.359%0.58817%0.166SC*.SBendtrans172.2-145.4-173.300000115.5
251L73.1Confident84.5Confident96 Ų9625.5 Ų25.550%0.50317%0.167SC..SBendtrans-61.9154.2177.5-65.5170.5000111.1H160H160-L251 HydrophobicContact CB-CD1 4.48Å; H160-L251 HydrophobicContact CB-CD2 4.21Å
252A82.9Confident84.5Confident7 Ų725.5 Ų25.56%0.05817%0.167CC..PPolyproline II helixtrans-62140.4177.900000110.9T157 H160 Y244 T245T157-A252 HydrophobicContact CG2-CB 3.42Å; T157-A252 VanDerWaalsContact CG2-CB 3.42Å; H160-A252 PolarHBondContact CD2-O 3.45Å; H160-A252 PolarHBondContact NE2-O 3.05Å; Y244-A252 HydrophobicContact CD1-CB 4Å; T245-A252 CarbonylContact O-C 3.57Å; T245-A252 WeakPolarHBondContact O-CA 3.24Å; T245-A252 VanDerWaalsContact O-CB 3.27Å; T245-A252 WeakPolarHBondContact O-CB 3.38Å
253K90Very high84.5Confident30 Ų3025.9 Ų25.913%0.1317%0.169CC..EExtended strand (participates in β ladder)trans-102.8132.2-177.9-53.6-175.5-175.4-171.50109.8Y244 T245 V255 Y489 S495Y244-K253 WeakPolarHBondContact CA-O 3.35Å; T245-K253 PolarHBondContact N-O 2.53Å; T245-K253 PolarHBondContact O-N 2.96Å; K253-V255 PolarHBondContact O-N 3.19Å; K253-Y489 HydrophobicContact CB-CD1 3.42Å; K253-Y489 VanDerWaalsContact CB-CD1 3.42Å; K253-Y489 HydrophobicContact CB-CE1 3.64Å; K253-Y489 HydrophobicContact CB-CG 3.97Å; K253-Y489 HydrophobicContact CD-CD1 4.21Å; K253-Y489 HydrophobicContact CD-CD2 4.11Å; K253-Y489 HydrophobicContact CD-CE1 4.05Å; K253-Y489 HydrophobicContact CD-CE2 3.97Å; K253-Y489 HydrophobicContact CD-CG 4.21Å; K253-Y489 HydrophobicContact CG-CD1 4.44Å; K253-Y489 HydrophobicContact CG-CE1 4.5Å; K253-S495 WeakPolarHBondContact CE-OG 3.44Å; K253-S495 PolarHBondContact NZ-OG 2.83Å
254G94.7Very high84.4Confident1 Ų126.8 Ų26.81%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-81.2101.2178.600000111.1M256 Y489 F490G254-M256 PolarHBondContact O-N 3.34Å; G254-Y489 CarbonylContact O-C 3.57Å; G254-Y489 WeakPolarHBondContact O-CA 3.42Å; G254-F490 WeakPolarHBondContact O-CB 3.37Å; G254-F490 PolarHBondContact O-N 2.78Å
255V97.1Very high84.6Confident0 Ų026.6 Ų26.60%017%0.173CC..EExtended strand (participates in β ladder)trans-71.1122.1176.4-178.40000109.4I242 C243 T245 K253 I257 T430 E431 T486 Y489I242-V255 WeakPolarHBondContact CA-O 3.37Å; C243-V255 PolarHBondContact N-O 2.96Å; C243-V255 WeakPolarHBondContact O-CB 3.31Å; C243-V255 PolarHBondContact O-N 3.18Å; T245-V255 HydrophobicContact CG2-CG2 3.85Å; K253-V255 PolarHBondContact O-N 3.19Å; V255-I257 HydrophobicContact CG1-CG1 4.09Å; V255-T430 HydrophobicContact CB-CG2 3.77Å; V255-T430 HydrophobicContact CG1-CG2 3.98Å; V255-T430 HydrophobicContact CG2-CG2 3.86Å; V255-E431 HydrophobicContact CG1-CG 4.21Å; V255-E431 HydrophobicContact CG2-CG 3.89Å; V255-T486 HydrophobicContact CG1-CG2 4.15Å; V255-Y489 HydrophobicContact CG2-CD1 4.04Å; V255-Y489 HydrophobicContact CG2-CE1 3.65Å
256M97.8Very high85.2Confident37 Ų3725.5 Ų25.518%0.18217%0.166CC..EExtended strand (participates in β ladder)trans-82.4118.8178.5-65.3-172.7-66.600110.6L239 G254 T486 K487 G488 F490L239-M256 HydrophobicContact CD1-CB 4.28Å; L239-M256 HydrophobicContact CD1-CG 4.17Å; L239-M256 HydrophobicContact CD1-SD 4.12Å; L239-M256 HydrophobicContact CD2-CB 3.85Å; G254-M256 PolarHBondContact O-N 3.34Å; M256-T486 WeakPolarHBondContact O-CB 3.33Å; M256-T486 PolarHBondContact O-OG1 3.4Å; M256-K487 HydrophobicContact CE-CB 4.5Å; M256-G488 PolarHBondContact N-O 3.22Å; M256-G488 VanDerWaalsContact N-O 3.1Å; M256-F490 HydrophobicContact CG-CB 3.84Å; M256-F490 HydrophobicContact SD-CB 4.27Å; M256-F490 HydrophobicContact SD-CD2 4.23Å
257I98.4Very high86.4Confident0 Ų023.3 Ų23.30%015%0.151CC..EExtended strand (participates in β ladder)trans-119.6118.9179.8-57.7176.1000108.5C240 L241 C243 V255 N261 L262 I293 T430C240-I257 PolarHBondContact N-O 2.94Å; C240-I257 PolarHBondContact SG-O 2.95Å; C240-I257 VanDerWaalsContact SG-O 3.41Å; L241-I257 HydrophobicContact CB-CB 4.12Å; L241-I257 PolarHBondContact N-O 2.88Å; L241-I257 VanDerWaalsContact N-O 3.09Å; L241-I257 PolarHBondContact O-N 3.29Å; C243-I257 HydrophobicContact CB-CD1 4.29Å; V255-I257 HydrophobicContact CG1-CG1 4.09Å; I257-N261 HydrophobicContact CG2-CB 4Å; I257-L262 HydrophobicContact CG2-CB 4.18Å; I257-I293 HydrophobicContact CD1-CD1 3.64Å; I257-T430 HydrophobicContact CD1-CG2 4.05Å
258S98.4Very high88.1Confident0 Ų022.3 Ų22.30%014%0.141CC..EExtended strand (participates in β ladder)trans-84.816617360.90000112.8D238 E260 N261 L262D238-S258 CarbonylContact O-C 3.35Å; D238-S258 WeakPolarHBondContact O-CA 3.41Å; D238-S258 WeakPolarHBondContact O-CB 3.23Å; S258-E260 VanDerWaalsContact C-N 3.33Å; S258-E260 PolarHBondContact O-N 3.2Å; S258-E260 VanDerWaalsContact OG-CG 3.26Å; S258-E260 WeakPolarHBondContact OG-CG 3.47Å; S258-N261 PolarHBondContact N-OD1 2.68Å; S258-N261 WeakPolarHBondContact O-CB 3.49Å; S258-N261 PolarHBondContact O-N 3.5Å; S258-N261 VanDerWaalsContact O-N 3.15Å; S258-N261 PolarHBondContact OG-N 3.46Å; S258-N261 PolarHBondContact OG-ND2 2.91Å; S258-N261 PolarHBondContact OG-OD1 3.47Å; S258-L262 PolarHBondContact O-N 2.61Å
259H98.2Very high90.1Very high1 Ų118.9 Ų18.91%0.00512%0.117CC..Hα-helixtrans-54.6-46.5174-78.1-75.3000112.5T61 M62 P234 D238 C240 N261 L262 V263T61-H259 HydrophobicContact CG2-CB 4.41Å; M62-H259 PolarHBondContact N-ND1 2.82Å; P234-H259 WeakPolarHBondContact CB-NE2 3.27Å; P234-H259 VanDerWaalsContact CG-NE2 3.35Å; P234-H259 WeakPolarHBondContact CG-NE2 3.18Å; D238-H259 PolarHBondContact O-CD2 3.42Å; D238-H259 PolarHBondContact O-N 3.47Å; C240-H259 VanDerWaalsContact CB-CE1 3.48Å; C240-H259 WeakPolarHBondContact CB-CE1 3.24Å; H259-N261 VanDerWaalsContact C-N 3.3Å; H259-N261 PolarHBondContact O-N 3.02Å; H259-L262 PolarHBondContact O-N 3.36Å; H259-V263 WeakPolarHBondContact O-CB 3.43Å; H259-V263 VanDerWaalsContact O-CG2 3.28Å; H259-V263 WeakPolarHBondContact O-CG2 3.34Å; H259-V263 PolarHBondContact O-N 2.7Å
260E97Very high91.9Very high27 Ų2714.7 Ų14.713%0.1269%0.091CC..Hα-helixtrans-61.8-37.5177.167-172.4151.700112.1E236 S258 L262 D264 K487E236-E260 HydrophobicContact CB-CB 4.11Å; E236-E260 WeakPolarHBondContact O-CB 3.23Å; E236-E260 WeakPolarHBondContact O-CG 3.4Å; E236-E260 PolarHBondContact O-N 3.02Å; S258-E260 VanDerWaalsContact C-N 3.33Å; S258-E260 PolarHBondContact O-N 3.2Å; S258-E260 VanDerWaalsContact OG-CG 3.26Å; S258-E260 WeakPolarHBondContact OG-CG 3.47Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 2.87Å; E260-D264 WeakPolarHBondContact O-CB 3.34Å; E260-D264 PolarHBondContact O-N 3.4Å; E260-K487 IonicContact OE1-NZ 3.67Å
261N98Very high93.4Very high4 Ų412.7 Ų12.72%0.0217%0.066CC..Hα-helixtrans-60.8-47.5-180-60.9154000110.5I257 S258 H259 T265 S433 K483 C485I257-N261 HydrophobicContact CG2-CB 4Å; S258-N261 PolarHBondContact N-OD1 2.68Å; S258-N261 WeakPolarHBondContact O-CB 3.49Å; S258-N261 PolarHBondContact O-N 3.5Å; S258-N261 VanDerWaalsContact O-N 3.15Å; S258-N261 PolarHBondContact OG-N 3.46Å; S258-N261 PolarHBondContact OG-ND2 2.91Å; S258-N261 PolarHBondContact OG-OD1 3.47Å; H259-N261 VanDerWaalsContact C-N 3.3Å; H259-N261 PolarHBondContact O-N 3.02Å; N261-T265 WeakPolarHBondContact O-CB 3.37Å; N261-T265 PolarHBondContact O-N 3.33Å; N261-T265 PolarHBondContact O-OG1 3.26Å; N261-S433 VanDerWaalsContact CB-OG 3.29Å; N261-S433 WeakPolarHBondContact CB-OG 3.47Å; N261-K483 WeakPolarHBondContact CA-O 3.47Å; N261-K483 PolarHBondContact ND2-O 3.4Å; N261-C485 PolarHBondContact ND2-O 2.95Å; N261-C485 VanDerWaalsContact ND2-O 3.12Å
262L97.6Very high94.1Very high0 Ų08.6 Ų8.60%05%0.046CC..Hα-helixtrans-76.9-38.2-176.3-172.255.9000112.4M62 L241 I257 S258 H259 E260 T265 I266 I293 V297M62-L262 HydrophobicContact CE-CD2 3.71Å; M62-L262 HydrophobicContact CE-CG 4.12Å; M62-L262 HydrophobicContact CG-CD2 4.15Å; M62-L262 HydrophobicContact SD-CB 3.99Å; M62-L262 HydrophobicContact SD-CD2 3.66Å; M62-L262 HydrophobicContact SD-CG 3.67Å; L241-L262 HydrophobicContact CD1-CD2 3.93Å; I257-L262 HydrophobicContact CG2-CB 4.18Å; S258-L262 PolarHBondContact O-N 2.61Å; H259-L262 PolarHBondContact O-N 3.36Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 2.87Å; L262-T265 HydrophobicContact CD1-CG2 4.23Å; L262-T265 WeakPolarHBondContact O-CA 3.2Å; L262-T265 VanDerWaalsContact O-CB 3.22Å; L262-T265 WeakPolarHBondContact O-CB 3.09Å; L262-T265 PolarHBondContact O-N 2.79Å; L262-I266 HydrophobicContact CD1-CD1 4.07Å; L262-I266 HydrophobicContact CG-CD1 3.81Å; L262-I266 WeakPolarHBondContact O-CD1 3.37Å; L262-I266 VanDerWaalsContact O-CG1 3.31Å; L262-I266 WeakPolarHBondContact O-CG1 3.48Å; L262-I266 PolarHBondContact O-N 2.92Å; L262-I293 HydrophobicContact CD1-CD1 4.35Å; L262-V297 HydrophobicContact CD1-CG2 4.38Å
263V96.5Very high94.5Very high7 Ų78.7 Ų8.74%0.0425%0.045CC..Hα-helixtrans-65.5-46.7176.9167.40000111.6V59 T61 M62 H259 T265 I266 C267V59-V263 HydrophobicContact CB-CG1 4.48Å; V59-V263 HydrophobicContact CG1-CG1 3.88Å; V59-V263 HydrophobicContact CG1-CG2 4.49Å; V59-V263 WeakPolarHBondContact O-CG1 3.45Å; T61-V263 VanDerWaalsContact C-CG2 3.42Å; M62-V263 HydrophobicContact CG-CG2 4.47Å; M62-V263 HydrophobicContact SD-CG2 3.77Å; H259-V263 WeakPolarHBondContact O-CB 3.43Å; H259-V263 VanDerWaalsContact O-CG2 3.28Å; H259-V263 WeakPolarHBondContact O-CG2 3.34Å; H259-V263 PolarHBondContact O-N 2.7Å; V263-T265 PolarHBondContact O-N 3.36Å; V263-I266 PolarHBondContact O-N 3.41Å; V263-I266 VanDerWaalsContact O-N 3.12Å; V263-C267 PolarHBondContact O-N 3.41Å; V263-C267 PolarHBondContact O-SG 3.33Å
264D94.6Very high94.4Very high19 Ų199.9 Ų9.910%0.1025%0.051CC..Hα-helixtrans-55.4-42.4174-170.7-69.9000109.4E260 I266 C267 S268 R455 R484E260-D264 WeakPolarHBondContact O-CB 3.34Å; E260-D264 PolarHBondContact O-N 3.4Å; D264-I266 PolarHBondContact O-N 3.14Å; D264-C267 PolarHBondContact O-N 2.84Å; D264-S268 VanDerWaalsContact O-CB 3.24Å; D264-S268 WeakPolarHBondContact O-CB 3.1Å; D264-S268 PolarHBondContact O-N 3.01Å; D264-R455 WeakPolarHBondContact OD2-CD 3.32Å; D264-R484 HydrophobicContact CB-CG 3.87Å; D264-R484 WeakPolarHBondContact OD1-CD 3.25Å; D264-R484 WeakPolarHBondContact OD1-CG 3.37Å
265T95.6Very high94.1Very high0 Ų012 Ų120%07%0.069CC..Hα-helixtrans-55.9-47.1176.5-85.10000114.4N261 L262 V263 T269 V297 S433 R484N261-T265 WeakPolarHBondContact O-CB 3.37Å; N261-T265 PolarHBondContact O-N 3.33Å; N261-T265 PolarHBondContact O-OG1 3.26Å; L262-T265 HydrophobicContact CD1-CG2 4.23Å; L262-T265 WeakPolarHBondContact O-CA 3.2Å; L262-T265 VanDerWaalsContact O-CB 3.22Å; L262-T265 WeakPolarHBondContact O-CB 3.09Å; L262-T265 PolarHBondContact O-N 2.79Å; V263-T265 PolarHBondContact O-N 3.36Å; T265-T269 WeakPolarHBondContact O-CB 3.32Å; T265-T269 PolarHBondContact O-N 2.73Å; T265-T269 PolarHBondContact O-OG1 3.21Å; T265-V297 HydrophobicContact CG2-CB 4.23Å; T265-V297 HydrophobicContact CG2-CG1 3.88Å; T265-V297 HydrophobicContact CG2-CG2 3.35Å; T265-S433 WeakPolarHBondContact CG2-O 3.08Å; T265-S433 WeakPolarHBondContact OG1-CB 3.4Å; T265-S433 PolarHBondContact OG1-O 3.16Å; T265-R484 VanDerWaalsContact CA-NH2 3.32Å; T265-R484 PolarHBondContact O-NH1 2.71Å; T265-R484 PolarHBondContact O-NH2 2.93Å; T265-R484 PolarHBondContact OG1-NE 2.85Å; T265-R484 PolarHBondContact OG1-NH2 2.93Å
266I95.3Very high93.8Very high0 Ų012.8 Ų12.80%07%0.072CC..Hα-helixtrans-74-44-173.4-68.8150.5000109.8M62 L65 L262 V263 D264 S268 T269 M270 A301 F304M62-I266 HydrophobicContact CE-CD1 3.86Å; M62-I266 HydrophobicContact SD-CD1 3.99Å; L65-I266 HydrophobicContact CD1-CB 4.18Å; L65-I266 HydrophobicContact CD1-CD1 3.54Å; L65-I266 HydrophobicContact CD1-CG1 4.4Å; L65-I266 HydrophobicContact CD1-CG2 3.83Å; L262-I266 HydrophobicContact CD1-CD1 4.07Å; L262-I266 HydrophobicContact CG-CD1 3.81Å; L262-I266 WeakPolarHBondContact O-CD1 3.37Å; L262-I266 VanDerWaalsContact O-CG1 3.31Å; L262-I266 WeakPolarHBondContact O-CG1 3.48Å; L262-I266 PolarHBondContact O-N 2.92Å; V263-I266 PolarHBondContact O-N 3.41Å; V263-I266 VanDerWaalsContact O-N 3.12Å; D264-I266 PolarHBondContact O-N 3.14Å; I266-S268 PolarHBondContact O-N 2.97Å; I266-T269 PolarHBondContact O-N 3.43Å; I266-M270 WeakPolarHBondContact O-CG 3.42Å; I266-M270 PolarHBondContact O-N 3.36Å; I266-A301 HydrophobicContact CG2-CB 4.14Å; I266-F304 HydrophobicContact CG2-CB 4.23Å; I266-F304 HydrophobicContact CG2-CG 4.3Å
267C92.6Very high93.5Very high4 Ų411.2 Ų11.23%0.0276%0.064CC..Hα-helixtrans-58.6-49.1175.2-61.10000110.6Y56 V263 D264 T269 M270 E271Y56-C267 HydrophobicContact CD2-CB 4.08Å; V263-C267 PolarHBondContact O-N 3.41Å; V263-C267 PolarHBondContact O-SG 3.33Å; D264-C267 PolarHBondContact O-N 2.84Å; C267-T269 VanDerWaalsContact C-N 3.3Å; C267-T269 PolarHBondContact O-N 3.32Å; C267-M270 PolarHBondContact O-N 2.96Å; C267-E271 WeakPolarHBondContact O-CB 3.38Å; C267-E271 WeakPolarHBondContact O-CG 3.44Å; C267-E271 PolarHBondContact O-N 2.64Å
268S91.4Very high93.4Very high0 Ų011.4 Ų11.40%07%0.065CC..Hα-helixtrans-67.6-28179.8164.20000112.9D264 I266 S272 T453 S454 R484D264-S268 VanDerWaalsContact O-CB 3.24Å; D264-S268 WeakPolarHBondContact O-CB 3.1Å; D264-S268 PolarHBondContact O-N 3.01Å; I266-S268 PolarHBondContact O-N 2.97Å; S268-S272 VanDerWaalsContact O-CB 3.26Å; S268-S272 WeakPolarHBondContact O-CB 3.45Å; S268-S272 PolarHBondContact O-N 3.37Å; S268-S272 PolarHBondContact O-OG 3.47Å; S268-T453 WeakPolarHBondContact OG-CB 3.39Å; S268-T453 PolarHBondContact OG-OG1 3.21Å; S268-S454 WeakPolarHBondContact CA-OG 3.44Å; S268-S454 WeakPolarHBondContact CB-O 3.38Å; S268-S454 VanDerWaalsContact CB-OG 3.23Å; S268-S454 WeakPolarHBondContact CB-OG 3.18Å; S268-S454 PolarHBondContact OG-N 3.36Å; S268-S454 PolarHBondContact OG-O 3.25Å; S268-S454 PolarHBondContact OG-OG 3.42Å; S268-R484 PolarHBondContact OG-NH1 2.7Å
269T92Very high93.2Very high15 Ų1512.7 Ų12.79%0.0927%0.074CC..Hα-helixtrans-68.2-44.8170.5-58.60000112.2T265 I266 C267 E271 T273 L277 V297T265-T269 WeakPolarHBondContact O-CB 3.32Å; T265-T269 PolarHBondContact O-N 2.73Å; T265-T269 PolarHBondContact O-OG1 3.21Å; I266-T269 PolarHBondContact O-N 3.43Å; C267-T269 VanDerWaalsContact C-N 3.3Å; C267-T269 PolarHBondContact O-N 3.32Å; T269-E271 VanDerWaalsContact C-N 3.27Å; T269-E271 PolarHBondContact O-N 3.17Å; T269-T273 WeakPolarHBondContact O-CG2 3.45Å; T269-T273 PolarHBondContact O-N 2.85Å; T269-T273 PolarHBondContact O-OG1 2.85Å; T269-L277 HydrophobicContact CG2-CD2 4.06Å; T269-V297 HydrophobicContact CG2-CG1 4.28Å
270M90.4Very high93.1Very high3 Ų317.6 Ų17.62%0.0159%0.093CC..Hα-helixtrans-61.5-41.3175.8-68.9-53-55.100110.9I266 C267 T273 E274 A275 Y278 A301 F304 C305I266-M270 WeakPolarHBondContact O-CG 3.42Å; I266-M270 PolarHBondContact O-N 3.36Å; C267-M270 PolarHBondContact O-N 2.96Å; M270-T273 CarbonylContact O-C 3.46Å; M270-T273 PolarHBondContact O-N 3.14Å; M270-T273 PolarHBondContact O-OG1 3.31Å; M270-T273 VanDerWaalsContact O-OG1 3.04Å; M270-E274 PolarHBondContact O-N 2.94Å; M270-A275 WeakPolarHBondContact O-CA 3.33Å; M270-A275 PolarHBondContact O-N 3.39Å; M270-Y278 HydrophobicContact SD-CD2 4.39Å; M270-A301 HydrophobicContact SD-CB 4.04Å; M270-F304 HydrophobicContact CG-CD1 4.06Å; M270-F304 HydrophobicContact CG-CE1 4.11Å; M270-C305 WeakPolarHBondContact CE-SG 3.34Å
271E89.2Confident93.1Very high15 Ų1519.2 Ų19.27%0.0710%0.102CC..Hα-helixtrans-67.4-46.4178.6-76.7174.7-167.400114.2L51 Y56 C267 T269 T273 E274 S454 R455L51-E271 HydrophobicContact CD1-CB 3.36Å; L51-E271 VanDerWaalsContact CD1-CD 3.42Å; L51-E271 HydrophobicContact CD1-CG 3.45Å; L51-E271 VanDerWaalsContact CD1-CG 3.45Å; L51-E271 VanDerWaalsContact CD1-OE2 3.23Å; L51-E271 WeakPolarHBondContact CD1-OE2 3.35Å; Y56-E271 HydrophobicContact CD2-CG 4.39Å; Y56-E271 WeakPolarHBondContact CD2-OE1 3.39Å; Y56-E271 HydrophobicContact CE2-CG 3.88Å; C267-E271 WeakPolarHBondContact O-CB 3.38Å; C267-E271 WeakPolarHBondContact O-CG 3.44Å; C267-E271 PolarHBondContact O-N 2.64Å; T269-E271 VanDerWaalsContact C-N 3.27Å; T269-E271 PolarHBondContact O-N 3.17Å; E271-T273 PolarHBondContact O-N 3.18Å; E271-E274 WeakPolarHBondContact O-CA 3.38Å; E271-E274 PolarHBondContact O-N 2.86Å; E271-S454 WeakPolarHBondContact OE2-CB 3.44Å; E271-S454 PolarHBondContact OE2-OG 3.31Å; E271-R455 IonicContact OE1-CZ 3.03Å; E271-R455 IonicContact OE1-NH1 3.54Å; E271-R455 PolarHBondContact OE1-NH1 3.16Å; E271-R455 IonicContact OE1-NH2 2.86Å; E271-R455 PolarHBondContact OE1-NH2 3.38Å; E271-R455 IonicContact OE2-CZ 2.74Å; E271-R455 IonicContact OE2-NH1 3.7Å; E271-R455 PolarHBondContact OE2-NH1 2.93Å; E271-R455 IonicContact OE2-NH2 2.83Å
272S89.3Confident93.2Very high11 Ų1119 Ų198%0.07710%0.101CC..Hα-helixtrans-67.8-18179.7-54.80000112.4S268 T453S268-S272 VanDerWaalsContact O-CB 3.26Å; S268-S272 WeakPolarHBondContact O-CB 3.45Å; S268-S272 PolarHBondContact O-N 3.37Å; S268-S272 PolarHBondContact O-OG 3.47Å; S272-T453 WeakPolarHBondContact OG-CA 3.26Å; S272-T453 WeakPolarHBondContact OG-CB 3.5Å; S272-T453 VanDerWaalsContact OG-CG2 3.27Å; S272-T453 WeakPolarHBondContact OG-CG2 3.3Å
273T89.7Confident93.2Very high8 Ų819.2 Ų19.25%0.04910%0.102CC..THydrogen-bonded Turntrans-98.411.3170.458.40000112.5T269 M270 E271 A275 K276 L277 M399T269-T273 WeakPolarHBondContact O-CG2 3.45Å; T269-T273 PolarHBondContact O-N 2.85Å; T269-T273 PolarHBondContact O-OG1 2.85Å; M270-T273 CarbonylContact O-C 3.46Å; M270-T273 PolarHBondContact O-N 3.14Å; M270-T273 PolarHBondContact O-OG1 3.31Å; M270-T273 VanDerWaalsContact O-OG1 3.04Å; E271-T273 PolarHBondContact O-N 3.18Å; T273-A275 PolarHBondContact O-N 3.07Å; T273-K276 VanDerWaalsContact O-CB 3.27Å; T273-K276 WeakPolarHBondContact O-CB 3.46Å; T273-K276 PolarHBondContact O-N 2.99Å; T273-L277 HydrophobicContact CG2-CB 4.14Å; T273-L277 HydrophobicContact CG2-CD2 4.48Å; T273-L277 WeakPolarHBondContact OG1-CB 3.4Å; T273-M399 HydrophobicContact CG2-SD 4.42Å
274E89.2Confident93.3Very high56 Ų5618.9 Ų18.926%0.26210%0.1SC..THydrogen-bonded Turntrans51.340180-60.8168.5-122.600113.1S28 M270 E271 K276S28-E274 VanDerWaalsContact CA-OE1 3.28Å; S28-E274 WeakPolarHBondContact CA-OE1 3.35Å; S28-E274 WeakPolarHBondContact CB-OE1 3.3Å; S28-E274 PolarHBondContact OG-OE1 3.22Å; M270-E274 PolarHBondContact O-N 2.94Å; E271-E274 WeakPolarHBondContact O-CA 3.38Å; E271-E274 PolarHBondContact O-N 2.86Å; E274-K276 HydrophobicContact CB-CD 4.03Å; E274-K276 WeakPolarHBondContact O-CG 3.45Å; E274-K276 PolarHBondContact O-N 3.48Å; E274-K276 VanDerWaalsContact O-N 3.1Å; E274-K276 IonicContact OE1-NZ 3.74Å; E274-K276 IonicContact OE2-NZ 3.75Å; E274-K276 PolarHBondContact OE2-NZ 3.32Å
275A87.3Confident93.5Very high45 Ų4518 Ų1837%0.37210%0.095SC..THydrogen-bonded Turntrans56.818.5-173.900000114.7M270 T273M270-A275 WeakPolarHBondContact O-CA 3.33Å; M270-A275 PolarHBondContact O-N 3.39Å; T273-A275 PolarHBondContact O-N 3.07Å
276K90.6Very high93.5Very high16 Ų1618 Ų187%0.0710%0.095CC..  trans-93.8-4-178.7-61.9154.9-176.2170.20113.4Y14 S25 F26 T273 E274 M399 L441Y14-K276 HydrophobicContact CE2-CB 3.88Å; Y14-K276 HydrophobicContact CE2-CG 4.46Å; Y14-K276 WeakPolarHBondContact CE2-O 3.29Å; Y14-K276 VanDerWaalsContact OH-CA 3.32Å; Y14-K276 WeakPolarHBondContact OH-CA 3.47Å; Y14-K276 VanDerWaalsContact OH-CB 3.26Å; Y14-K276 WeakPolarHBondContact OH-CB 3.44Å; Y14-K276 VanDerWaalsContact OH-CG 3.24Å; Y14-K276 WeakPolarHBondContact OH-CG 3.29Å; S25-K276 PolarHBondContact O-NZ 2.89Å; F26-K276 PolarHBondContact O-NZ 2.72Å; T273-K276 VanDerWaalsContact O-CB 3.27Å; T273-K276 WeakPolarHBondContact O-CB 3.46Å; T273-K276 PolarHBondContact O-N 2.99Å; E274-K276 HydrophobicContact CB-CD 4.03Å; E274-K276 WeakPolarHBondContact O-CG 3.45Å; E274-K276 PolarHBondContact O-N 3.48Å; E274-K276 VanDerWaalsContact O-N 3.1Å; E274-K276 IonicContact OE1-NZ 3.74Å; E274-K276 IonicContact OE2-NZ 3.75Å; E274-K276 PolarHBondContact OE2-NZ 3.32Å; K276-M399 HydrophobicContact CB-CE 4.36Å; K276-L441 HydrophobicContact CB-CD1 3.94Å; K276-L441 HydrophobicContact CD-CD1 3.21Å; K276-L441 HydrophobicContact CG-CD1 4.19Å
277L92.9Very high93.5Very high4 Ų419.1 Ų19.12%0.02110%0.1CC..SBendtrans-74.5-56.5-179.7-179.464.8000112.2T269 T273 V330 M399 V401T269-L277 HydrophobicContact CG2-CD2 4.06Å; T273-L277 HydrophobicContact CG2-CB 4.14Å; T273-L277 HydrophobicContact CG2-CD2 4.48Å; T273-L277 WeakPolarHBondContact OG1-CB 3.4Å; L277-V330 HydrophobicContact CD1-CG1 3.68Å; L277-V330 HydrophobicContact CD1-CG2 4.08Å; L277-V330 WeakPolarHBondContact O-CG2 3.38Å; L277-M399 HydrophobicContact CB-SD 4.2Å; L277-M399 HydrophobicContact CD1-CB 4.14Å; L277-M399 HydrophobicContact CD1-CG 4Å; L277-M399 HydrophobicContact CD1-SD 3.37Å; L277-M399 WeakPolarHBondContact CD1-SD 3.43Å; L277-M399 HydrophobicContact CG-SD 4.38Å; L277-V401 HydrophobicContact CD1-CG2 3.52Å
278Y95.6Very high93.5Very high4 Ų419.6 Ų19.62%0.01610%0.102CC..  trans-125.5149-178.6-71.8-70.6000111.6M270 H284 T298 A301 A302 V330M270-Y278 HydrophobicContact SD-CD2 4.39Å; Y278-H284 HydrophobicContact CE1-CB 3.97Å; Y278-H284 PolarHBondContact OH-ND1 2.89Å; Y278-T298 WeakPolarHBondContact CE2-O 3.12Å; Y278-T298 PolarHBondContact OH-O 2.8Å; Y278-A301 HydrophobicContact CD2-CB 3.71Å; Y278-A301 HydrophobicContact CE2-CB 3.84Å; Y278-A302 HydrophobicContact CD1-CB 3.97Å; Y278-A302 HydrophobicContact CE1-CB 3.81Å; Y278-A302 HydrophobicContact CE2-CB 4.34Å; Y278-A302 HydrophobicContact CG-CB 4.35Å; Y278-V330 HydrophobicContact CD1-CB 4.48Å; Y278-V330 HydrophobicContact CD1-CG2 3.79Å; Y278-V330 HydrophobicContact CE1-CB 3.63Å; Y278-V330 HydrophobicContact CE1-CG1 4.22Å; Y278-V330 HydrophobicContact CE1-CG2 3.43Å; Y278-V330 VanDerWaalsContact CE1-CG2 3.43Å; Y278-V330 HydrophobicContact CG-CG2 4.46Å; Y278-V330 WeakPolarHBondContact OH-CG1 3.27Å
279C95.2Very high93.4Very high28 Ų2822.4 Ų22.419%0.18912%0.12CC..  trans-142.5179.8164.769.20000109.6I17 H18 N281 S282 A307I17-C279 PolarHBondContact O-SG 2.88Å; H18-C279 PolarHBondContact CD2-SG 3.27Å; C279-N281 PolarHBondContact O-N 3.23Å; C279-S282 PolarHBondContact N-OG 3.4Å; C279-S282 VanDerWaalsContact O-CB 3.23Å; C279-S282 WeakPolarHBondContact O-CB 3.22Å; C279-S282 PolarHBondContact O-N 2.79Å; C279-S282 PolarHBondContact O-OG 2.81Å; C279-A307 WeakPolarHBondContact O-CB 3.21Å
280R96Very high93.5Very high104 Ų10421.7 Ų21.739%0.39212%0.116SC..THydrogen-bonded Turntrans-57.4-21.5179.5-159.6-173.1179.2-141.38.8115L72 S73 R76 C305L72-R280 PolarHBondContact O-NE 3.41Å; L72-R280 PolarHBondContact O-NH2 3.32Å; S73-R280 WeakPolarHBondContact OG-CG 3.21Å; S73-R280 PolarHBondContact OG-NE 2.8Å; R76-R280 PolarHBondContact NH2-O 3.35Å; R280-C305 WeakPolarHBondContact CA-O 3.15Å; R280-C305 PolarHBondContact N-O 3.47Å
281N97Very high93.4Very high60 Ų6021.6 Ų21.632%0.32112%0.116SC..THydrogen-bonded Turntrans-98.8-0.3179.4-62.6-34.6000113.3I17 R76 C279I17-N281 HydrophobicContact CG2-CB 4.45Å; I17-N281 WeakPolarHBondContact O-CB 3.37Å; I17-N281 PolarHBondContact O-ND2 3.43Å; R76-N281 PolarHBondContact NH2-OD1 2.98Å; C279-N281 PolarHBondContact O-N 3.23Å
282S98.2Very high93.4Very high0 Ų023.4 Ų23.40%012%0.124CC..  trans-73154.3179.3-65.20000112C279 A307 Q308 T329C279-S282 PolarHBondContact N-OG 3.4Å; C279-S282 VanDerWaalsContact O-CB 3.23Å; C279-S282 WeakPolarHBondContact O-CB 3.22Å; C279-S282 PolarHBondContact O-N 2.79Å; C279-S282 PolarHBondContact O-OG 2.81Å; S282-A307 WeakPolarHBondContact O-CB 3.31Å; S282-Q308 PolarHBondContact O-N 3.28Å; S282-T329 VanDerWaalsContact CA-OG1 3.23Å; S282-T329 WeakPolarHBondContact CA-OG1 3.39Å; S282-T329 WeakPolarHBondContact CB-OG1 3.4Å; S282-T329 PolarHBondContact OG-OG1 2.96Å
283V98.6Very high93.7Very high5 Ų523.6 Ų23.63%0.0312%0.124CC..EExtended strand (participates in β ladder)trans-130.1114174.7-1750000107.6Q308 L326 P328 T329V283-Q308 CarbonylContact C-O 3.53Å; V283-Q308 WeakPolarHBondContact CA-O 3.37Å; V283-Q308 HydrophobicContact CG1-CB 4.38Å; V283-Q308 HydrophobicContact CG2-CB 4.26Å; V283-L326 HydrophobicContact CG1-CD1 3.68Å; V283-L326 HydrophobicContact CG1-CD2 4.25Å; V283-L326 HydrophobicContact CG1-CG 3.68Å; V283-P328 CarbonylContact O-C 3.56Å; V283-P328 WeakPolarHBondContact O-CA 3.33Å; V283-T329 HydrophobicContact CB-CG2 4.43Å; V283-T329 PolarHBondContact N-OG1 2.99Å; V283-T329 PolarHBondContact O-N 2.91Å; V283-T329 PolarHBondContact O-OG1 3.44Å
284H98.6Very high93.9Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-87.9137.9172.2173.769.5000109.7Y278 E295 T298 A302 Q308 I309 G310 P332Y278-H284 HydrophobicContact CE1-CB 3.97Å; Y278-H284 PolarHBondContact OH-ND1 2.89Å; H284-E295 IonicContact CD2-OE1 2.7Å; H284-E295 IonicContact CE1-OE1 3.4Å; H284-E295 IonicContact CE1-OE2 3.3Å; H284-E295 IonicContact NE2-OE1 2.72Å; H284-E295 PolarHBondContact NE2-OE1 3.1Å; H284-E295 IonicContact NE2-OE2 3.84Å; H284-T298 PolarHBondContact CE1-OG1 2.9Å; H284-A302 HydrophobicContact CB-CB 3.84Å; H284-Q308 PolarHBondContact N-O 3.36Å; H284-I309 HydrophobicContact CB-CG1 4.25Å; H284-I309 WeakPolarHBondContact O-CA 3.48Å; H284-G310 PolarHBondContact O-N 3.11Å; H284-P332 VanDerWaalsContact CE1-CG 3.47Å; H284-P332 WeakPolarHBondContact CE1-CG 3.28Å
285I97.9Very high94.2Very high0 Ų022.3 Ų22.30%012%0.118CC..EExtended strand (participates in β ladder)trans-100.4111.3170.4-175.2164.4000109.2Y287 L319 D322 A323 L326 P328 L331I285-Y287 HydrophobicContact CG1-CD1 4.34Å; I285-Y287 HydrophobicContact CG2-CD1 4.14Å; I285-Y287 HydrophobicContact CG2-CE1 4.33Å; I285-Y287 PolarHBondContact O-N 3.03Å; I285-L319 HydrophobicContact CD1-CD1 3.74Å; I285-L319 HydrophobicContact CG1-CD1 4.47Å; I285-D322 HydrophobicContact CD1-CB 4.4Å; I285-A323 HydrophobicContact CD1-CB 4.11Å; I285-L326 HydrophobicContact CB-CD2 3.78Å; I285-L326 HydrophobicContact CD1-CD2 4.21Å; I285-L326 HydrophobicContact CG1-CD2 3.86Å; I285-P328 HydrophobicContact CB-CB 4.02Å; I285-P328 HydrophobicContact CB-CG 4.41Å; I285-P328 HydrophobicContact CG2-CB 3.84Å; I285-P328 HydrophobicContact CG2-CG 4.12Å; I285-L331 HydrophobicContact CG2-CD1 4.06Å
286S97.5Very high94.7Very high0 Ų020.2 Ų20.20%010%0.1CC..EExtended strand (participates in β ladder)trans-86.1102.3179.9156.20000110.1N128 E295 G310 F311 L312N128-S286 WeakPolarHBondContact CB-OG 3.36Å; N128-S286 PolarHBondContact ND2-OG 3.03Å; S286-E295 VanDerWaalsContact CA-OE1 3.31Å; S286-E295 WeakPolarHBondContact CA-OE1 3.45Å; S286-E295 WeakPolarHBondContact CB-OE1 3.43Å; S286-E295 PolarHBondContact OG-OE1 2.9Å; S286-G310 PolarHBondContact N-O 2.72Å; S286-F311 WeakPolarHBondContact OG-CD1 3.43Å; S286-F311 VanDerWaalsContact OG-CE1 3.27Å; S286-F311 WeakPolarHBondContact OG-CE1 3.15Å; S286-L312 PolarHBondContact O-N 2.88Å
287Y93.8Very high95Very high24 Ų2419.7 Ų19.79%0.09410%0.098CC..  trans-139.9-17.2176.479.1-89.8000114.3I285 I316 L319 L331 P332 A333 V337I285-Y287 HydrophobicContact CG1-CD1 4.34Å; I285-Y287 HydrophobicContact CG2-CD1 4.14Å; I285-Y287 HydrophobicContact CG2-CE1 4.33Å; I285-Y287 PolarHBondContact O-N 3.03Å; Y287-I316 HydrophobicContact CD2-CD1 3.33Å; Y287-I316 HydrophobicContact CE2-CD1 3.75Å; Y287-I316 HydrophobicContact CG-CD1 4.24Å; Y287-L319 HydrophobicContact CD1-CD1 3.82Å; Y287-L319 HydrophobicContact CD2-CD1 4.3Å; Y287-L319 HydrophobicContact CE1-CD1 4.16Å; Y287-L319 HydrophobicContact CE2-CD2 4.2Å; Y287-L319 HydrophobicContact CG-CD1 3.86Å; Y287-L331 HydrophobicContact CE1-CD1 4.08Å; Y287-P332 WeakPolarHBondContact CE1-O 3.45Å; Y287-P332 PolarHBondContact OH-O 2.94Å; Y287-A333 WeakPolarHBondContact OH-CA 3.48Å; Y287-A333 WeakPolarHBondContact OH-CB 3.07Å; Y287-V337 HydrophobicContact CE2-CG1 4.46Å; Y287-V337 HydrophobicContact CE2-CG2 4.21Å
288L92.4Very high95.2Very high13 Ų1319.9 Ų19.97%0.06810%0.1CC..SBendtrans-73.7139.8169.1-59.1178.9000107.8N128 F290 M294 E295 P332 V334N128-L288 PolarHBondContact ND2-O 3.4Å; L288-F290 PolarHBondContact O-N 2.83Å; L288-M294 HydrophobicContact CD1-CE 4.12Å; L288-M294 HydrophobicContact CD1-CG 3.99Å; L288-M294 HydrophobicContact CD1-SD 3.7Å; L288-E295 HydrophobicContact CB-CB 4.04Å; L288-E295 WeakPolarHBondContact CB-OE2 3.13Å; L288-E295 WeakPolarHBondContact O-CB 3.23Å; L288-E295 WeakPolarHBondContact O-CG 3.23Å; L288-P332 HydrophobicContact CD1-CB 4.05Å; L288-V334 HydrophobicContact CD2-CG1 4.43Å
289P90.7Very high95.3Very high59 Ų5919.7 Ų19.738%0.38310%0.099SC..  trans-60.4133.3-174.2-23.932.9000112.3N128 A291 H292 E295N128-P289 WeakPolarHBondContact OD1-CA 3.32Å; P289-A291 PolarHBondContact O-N 3.29Å; P289-A291 VanDerWaalsContact O-N 3.13Å; P289-H292 WeakPolarHBondContact O-CB 3.44Å; P289-H292 PolarHBondContact O-N 3.31Å; P289-E295 WeakPolarHBondContact O-CB 3.19Å
290F93Very high95.4Very high1 Ų118.4 Ų18.40%0.0049%0.09CC..THydrogen-bonded Turntrans-58-25.2174.2-86.7-56.8000113.4N128 W132 F133 L288 H292 E295 Q296 S299 F311N128-F290 HydrophobicContact CB-CD2 3.63Å; N128-F290 HydrophobicContact CB-CE2 3.68Å; N128-F290 PolarHBondContact OD1-N 3.46Å; W132-F290 HydrophobicContact CB-CD2 4.21Å; W132-F290 HydrophobicContact CB-CE2 4.35Å; W132-F290 AromaticContact CD1-CD2 3.51Å; W132-F290 AromaticContact CD1-CG 3.88Å; W132-F290 HydrophobicContact CD2-CB 4.16Å; W132-F290 AromaticContact CD2-CD2 3.96Å; W132-F290 HydrophobicContact CD2-CD2 3.96Å; W132-F290 HydrophobicContact CD2-CG 4.48Å; W132-F290 AromaticContact CG-CD2 3.64Å; W132-F290 HydrophobicContact CG-CD2 3.64Å; W132-F290 HydrophobicContact CG-CE2 4.19Å; W132-F290 HydrophobicContact CG-CG 4.37Å; W132-F290 HydrophobicContact CZ2-CB 3.75Å; W132-F290 AromaticContact NE1-CD2 3.83Å; W132-F290 AromaticContact NE1-CG 3.78Å; F133-F290 HydrophobicContact CB-CZ 4.49Å; F133-F290 HydrophobicContact CD2-CZ 4.21Å; L288-F290 PolarHBondContact O-N 2.83Å; F290-H292 PolarHBondContact O-N 3.32Å; F290-E295 HydrophobicContact CD1-CB 4.41Å; F290-E295 HydrophobicContact CD1-CG 3.58Å; F290-E295 HydrophobicContact CE1-CG 3.82Å; F290-E295 HydrophobicContact CG-CG 4.19Å; F290-Q296 WeakPolarHBondContact O-CG 3.35Å; F290-Q296 PolarHBondContact O-NE2 3.44Å; F290-S299 WeakPolarHBondContact CE1-OG 3.4Å; F290-F311 AromaticContact CE2-CE1 3.6Å; F290-F311 HydrophobicContact CE2-CE1 3.6Å; F290-F311 HydrophobicContact CE2-CZ 4.34Å; F290-F311 AromaticContact CZ-CE1 3.78Å; F290-F311 HydrophobicContact CZ-CE1 3.78Å; F290-F311 HydrophobicContact CZ-CZ 4.28Å
291A89.3Confident95.5Very high1 Ų113.4 Ų13.41%0.0087%0.071CC..THydrogen-bonded Turntrans-67.2-19.6173.600000113.2P148 Y150 P289P148-A291 HydrophobicContact CB-CB 3.88Å; P148-A291 HydrophobicContact CG-CB 4.36Å; Y150-A291 HydrophobicContact CD1-CB 3.33Å; Y150-A291 HydrophobicContact CD2-CB 4.06Å; Y150-A291 VanDerWaalsContact CE1-C 3.42Å; Y150-A291 HydrophobicContact CE1-CB 3.28Å; Y150-A291 HydrophobicContact CE2-CB 4.06Å; Y150-A291 HydrophobicContact CG-CB 3.73Å; Y150-A291 PolarHBondContact OH-O 2.81Å; Y150-A291 VanDerWaalsContact OH-O 3.07Å; P289-A291 PolarHBondContact O-N 3.29Å; P289-A291 VanDerWaalsContact O-N 3.13Å
292H88.3Confident95.6Very high53 Ų5310.6 Ų10.625%0.2456%0.056CC..SBendtrans-86.9135.1170.5-73.7-61.6000111.6Y150 P289 F290 M294 E295 Q296Y150-H292 AromaticContact CD1-CE1 3.96Å; Y150-H292 AromaticContact CD1-NE2 3.64Å; Y150-H292 AromaticContact CE1-CD2 3.68Å; Y150-H292 AromaticContact CE1-CE1 3.31Å; Y150-H292 WeakPolarHBondContact CE1-CE1 3.46Å; Y150-H292 AromaticContact CE1-CG 3.75Å; Y150-H292 AromaticContact CE1-ND1 3.54Å; Y150-H292 AromaticContact CE1-NE2 3.42Å; Y150-H292 WeakPolarHBondContact CE1-NE2 3.08Å; P289-H292 WeakPolarHBondContact O-CB 3.44Å; P289-H292 PolarHBondContact O-N 3.31Å; F290-H292 PolarHBondContact O-N 3.32Å; H292-M294 PolarHBondContact O-N 3.48Å; H292-E295 PolarHBondContact O-N 2.94Å; H292-E295 VanDerWaalsContact O-N 3.12Å; H292-Q296 PolarHBondContact O-N 2.97Å
293I95.2Very high95.6Very high15 Ų1510.6 Ų10.68%0.0776%0.056CC..Hα-helixtrans-56.2-29-179-164.258.9000113.1I257 L262 E295 Q296 V297 T430I257-I293 HydrophobicContact CD1-CD1 3.64Å; L262-I293 HydrophobicContact CD1-CD1 4.35Å; I293-E295 PolarHBondContact O-N 3.35Å; I293-Q296 HydrophobicContact CD1-CB 4.13Å; I293-Q296 WeakPolarHBondContact O-CB 3.41Å; I293-Q296 PolarHBondContact O-N 3.49Å; I293-V297 WeakPolarHBondContact O-CG2 3.33Å; I293-V297 PolarHBondContact O-N 3.37Å; I293-T430 HydrophobicContact CB-CG2 4.43Å
294M94.1Very high95.5Very high37 Ų3710.5 Ų10.518%0.1826%0.056CC..Hα-helixtrans-62.4-43.6178.9-172.3175.6-178.700112.6L288 H292 Q296 V297 T298 P332 V401L288-M294 HydrophobicContact CD1-CE 4.12Å; L288-M294 HydrophobicContact CD1-CG 3.99Å; L288-M294 HydrophobicContact CD1-SD 3.7Å; H292-M294 PolarHBondContact O-N 3.48Å; M294-Q296 VanDerWaalsContact C-N 3.32Å; M294-V297 PolarHBondContact O-N 3.5Å; M294-T298 HydrophobicContact CG-CG2 4.47Å; M294-T298 WeakPolarHBondContact O-CG2 3.5Å; M294-T298 PolarHBondContact O-N 2.78Å; M294-T298 PolarHBondContact O-OG1 2.85Å; M294-T298 VanDerWaalsContact O-OG1 3.07Å; M294-P332 HydrophobicContact CE-CB 4.12Å; M294-V401 HydrophobicContact CE-CG1 4.32Å; M294-V401 WeakPolarHBondContact CE-O 3.43Å
295E95.7Very high95.4Very high0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-68.5-35.8176.1-17565.3-165.900111H284 S286 L288 P289 F290 H292 I293 V297 T298 S299H284-E295 IonicContact CD2-OE1 2.7Å; H284-E295 IonicContact CE1-OE1 3.4Å; H284-E295 IonicContact CE1-OE2 3.3Å; H284-E295 IonicContact NE2-OE1 2.72Å; H284-E295 PolarHBondContact NE2-OE1 3.1Å; H284-E295 IonicContact NE2-OE2 3.84Å; S286-E295 VanDerWaalsContact CA-OE1 3.31Å; S286-E295 WeakPolarHBondContact CA-OE1 3.45Å; S286-E295 WeakPolarHBondContact CB-OE1 3.43Å; S286-E295 PolarHBondContact OG-OE1 2.9Å; L288-E295 HydrophobicContact CB-CB 4.04Å; L288-E295 WeakPolarHBondContact CB-OE2 3.13Å; L288-E295 WeakPolarHBondContact O-CB 3.23Å; L288-E295 WeakPolarHBondContact O-CG 3.23Å; P289-E295 WeakPolarHBondContact O-CB 3.19Å; F290-E295 HydrophobicContact CD1-CB 4.41Å; F290-E295 HydrophobicContact CD1-CG 3.58Å; F290-E295 HydrophobicContact CE1-CG 3.82Å; F290-E295 HydrophobicContact CG-CG 4.19Å; H292-E295 PolarHBondContact O-N 2.94Å; H292-E295 VanDerWaalsContact O-N 3.12Å; I293-E295 PolarHBondContact O-N 3.35Å; E295-V297 VanDerWaalsContact C-N 3.31Å; E295-V297 PolarHBondContact O-N 3.03Å; E295-T298 WeakPolarHBondContact CA-OG1 3.39Å; E295-T298 PolarHBondContact O-N 3.4Å; E295-T298 PolarHBondContact O-OG1 3.3Å; E295-S299 VanDerWaalsContact O-CB 3.24Å; E295-S299 WeakPolarHBondContact O-CB 3.43Å; E295-S299 PolarHBondContact O-N 2.82Å; E295-S299 PolarHBondContact O-OG 3.19Å
296Q97.4Very high95.4Very high0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-57.4-44.8174.5-65.8-68.4-18.400111.2L241 F290 H292 I293 M294 S300L241-Q296 HydrophobicContact CD1-CG 4.1Å; F290-Q296 WeakPolarHBondContact O-CG 3.35Å; F290-Q296 PolarHBondContact O-NE2 3.44Å; H292-Q296 PolarHBondContact O-N 2.97Å; I293-Q296 HydrophobicContact CD1-CB 4.13Å; I293-Q296 WeakPolarHBondContact O-CB 3.41Å; I293-Q296 PolarHBondContact O-N 3.49Å; M294-Q296 VanDerWaalsContact C-N 3.32Å; Q296-S300 WeakPolarHBondContact O-CB 3.1Å; Q296-S300 PolarHBondContact O-N 3.24Å; Q296-S300 PolarHBondContact O-OG 3.04Å
297V97.4Very high95.4Very high5 Ų511.2 Ų11.23%0.036%0.06CC..Hα-helixtrans-67.7-50.7177-179.50000111.7L262 T265 T269 I293 M294 E295 S300 A301L262-V297 HydrophobicContact CD1-CG2 4.38Å; T265-V297 HydrophobicContact CG2-CB 4.23Å; T265-V297 HydrophobicContact CG2-CG1 3.88Å; T265-V297 HydrophobicContact CG2-CG2 3.35Å; T269-V297 HydrophobicContact CG2-CG1 4.28Å; I293-V297 WeakPolarHBondContact O-CG2 3.33Å; I293-V297 PolarHBondContact O-N 3.37Å; M294-V297 PolarHBondContact O-N 3.5Å; E295-V297 VanDerWaalsContact C-N 3.31Å; E295-V297 PolarHBondContact O-N 3.03Å; V297-S300 PolarHBondContact O-N 2.78Å; V297-A301 VanDerWaalsContact O-CB 3.27Å; V297-A301 WeakPolarHBondContact O-CB 3.33Å; V297-A301 PolarHBondContact O-N 2.86Å
298T97Very high95.7Very high9 Ų911.7 Ų11.76%0.0556%0.063CC..Hα-helixtrans-70.9-42-170.655.70000112.6Y278 H284 M294 E295 A301 A302 P332Y278-T298 WeakPolarHBondContact CE2-O 3.12Å; Y278-T298 PolarHBondContact OH-O 2.8Å; H284-T298 PolarHBondContact CE1-OG1 2.9Å; M294-T298 HydrophobicContact CG-CG2 4.47Å; M294-T298 WeakPolarHBondContact O-CG2 3.5Å; M294-T298 PolarHBondContact O-N 2.78Å; M294-T298 PolarHBondContact O-OG1 2.85Å; M294-T298 VanDerWaalsContact O-OG1 3.07Å; E295-T298 WeakPolarHBondContact CA-OG1 3.39Å; E295-T298 PolarHBondContact O-N 3.4Å; E295-T298 PolarHBondContact O-OG1 3.3Å; T298-A301 PolarHBondContact O-N 3.44Å; T298-A302 PolarHBondContact O-N 3.21Å; T298-A302 VanDerWaalsContact O-N 3.08Å; T298-P332 HydrophobicContact CG2-CB 3.81Å; T298-P332 HydrophobicContact CG2-CG 4.35Å
299S98Very high96Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-67.4-40175.864.20000111.8F290 E295 A302 V303F290-S299 WeakPolarHBondContact CE1-OG 3.4Å; E295-S299 VanDerWaalsContact O-CB 3.24Å; E295-S299 WeakPolarHBondContact O-CB 3.43Å; E295-S299 PolarHBondContact O-N 2.82Å; E295-S299 PolarHBondContact O-OG 3.19Å; S299-A302 WeakPolarHBondContact O-CB 3.27Å; S299-A302 PolarHBondContact O-N 3.47Å; S299-V303 WeakPolarHBondContact O-CG2 3.49Å; S299-V303 PolarHBondContact O-N 2.9Å
300S98.4Very high96.3Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-70.2-35.8177.5-56.30000112M62 Y137 Q296 V297 A302 V303 F304M62-S300 WeakPolarHBondContact CE-OG 3.5Å; Y137-S300 PolarHBondContact OH-OG 3.26Å; Q296-S300 WeakPolarHBondContact O-CB 3.1Å; Q296-S300 PolarHBondContact O-N 3.24Å; Q296-S300 PolarHBondContact O-OG 3.04Å; V297-S300 PolarHBondContact O-N 2.78Å; S300-A302 VanDerWaalsContact C-N 3.3Å; S300-A302 PolarHBondContact O-N 2.99Å; S300-V303 PolarHBondContact O-N 2.88Å; S300-F304 VanDerWaalsContact O-CB 3.23Å; S300-F304 WeakPolarHBondContact O-CB 3.46Å; S300-F304 PolarHBondContact O-N 3.34Å
301A97.1Very high96.6Very high0 Ų08.3 Ų8.30%04%0.042CC..Hα-helixtrans-62.7-37.1171.400000112.3I266 M270 Y278 V297 T298 C305I266-A301 HydrophobicContact CG2-CB 4.14Å; M270-A301 HydrophobicContact SD-CB 4.04Å; Y278-A301 HydrophobicContact CD2-CB 3.71Å; Y278-A301 HydrophobicContact CE2-CB 3.84Å; V297-A301 VanDerWaalsContact O-CB 3.27Å; V297-A301 WeakPolarHBondContact O-CB 3.33Å; V297-A301 PolarHBondContact O-N 2.86Å; T298-A301 PolarHBondContact O-N 3.44Å; A301-C305 PolarHBondContact O-N 3.05Å; A301-C305 PolarHBondContact O-SG 2.93Å; A301-C305 VanDerWaalsContact O-SG 3.32Å
302A98.3Very high96.8Very high0 Ų09.1 Ų9.10%05%0.046CC..Hα-helixtrans-63.1-48173.300000111.3Y278 H284 T298 S299 S300 C305 G306 A307 I309Y278-A302 HydrophobicContact CD1-CB 3.97Å; Y278-A302 HydrophobicContact CE1-CB 3.81Å; Y278-A302 HydrophobicContact CE2-CB 4.34Å; Y278-A302 HydrophobicContact CG-CB 4.35Å; H284-A302 HydrophobicContact CB-CB 3.84Å; T298-A302 PolarHBondContact O-N 3.21Å; T298-A302 VanDerWaalsContact O-N 3.08Å; S299-A302 WeakPolarHBondContact O-CB 3.27Å; S299-A302 PolarHBondContact O-N 3.47Å; S300-A302 VanDerWaalsContact C-N 3.3Å; S300-A302 PolarHBondContact O-N 2.99Å; A302-C305 PolarHBondContact O-N 3.36Å; A302-G306 PolarHBondContact O-N 3.07Å; A302-A307 HydrophobicContact CB-CB 4.1Å; A302-A307 WeakPolarHBondContact O-CB 3.47Å; A302-A307 PolarHBondContact O-N 3.02Å; A302-I309 HydrophobicContact CB-CG1 4.27Å
303V98.4Very high97.1Very high0 Ų07.4 Ų7.40%04%0.039CC..Hα-helixtrans-63.8-43.5179.3171.10000111.6L65 F66 G69 Y94 F133 S299 S300 C305 G306 I309L65-V303 HydrophobicContact CD2-CB 4.3Å; L65-V303 HydrophobicContact CD2-CG1 4.01Å; F66-V303 HydrophobicContact CD2-CG1 3.74Å; F66-V303 HydrophobicContact CE2-CG1 4.47Å; G69-V303 WeakPolarHBondContact CA-O 3.2Å; Y94-V303 HydrophobicContact CE1-CG1 4.22Å; Y94-V303 WeakPolarHBondContact OH-CA 3.44Å; F133-V303 HydrophobicContact CE2-CG2 3.63Å; F133-V303 HydrophobicContact CZ-CG1 4.37Å; F133-V303 HydrophobicContact CZ-CG2 3.45Å; F133-V303 VanDerWaalsContact CZ-CG2 3.45Å; S299-V303 WeakPolarHBondContact O-CG2 3.49Å; S299-V303 PolarHBondContact O-N 2.9Å; S300-V303 PolarHBondContact O-N 2.88Å; V303-C305 PolarHBondContact O-N 2.84Å; V303-C305 VanDerWaalsContact O-N 3.15Å; V303-G306 PolarHBondContact O-N 3.42Å; V303-I309 HydrophobicContact CG2-CD1 3.59Å
304F97.1Very high96.7Very high4 Ų48.4 Ų8.42%0.0185%0.054CC..Hα-helixtrans-52.5-36.2175.6177.2-95.2000112.4Y56 V59 L65 I266 M270 S300Y56-F304 HydrophobicContact CD1-CE1 4.05Å; Y56-F304 HydrophobicContact CD1-CE2 4.42Å; Y56-F304 AromaticContact CD1-CZ 3.39Å; Y56-F304 HydrophobicContact CD1-CZ 3.39Å; Y56-F304 HydrophobicContact CD2-CZ 4.37Å; Y56-F304 AromaticContact CE1-CE1 3.92Å; Y56-F304 HydrophobicContact CE1-CE1 3.92Å; Y56-F304 AromaticContact CE1-CZ 3.75Å; Y56-F304 HydrophobicContact CE1-CZ 3.75Å; Y56-F304 AromaticContact CG-CZ 3.77Å; Y56-F304 HydrophobicContact CG-CZ 3.77Å; V59-F304 HydrophobicContact CB-CE2 4.35Å; V59-F304 HydrophobicContact CG1-CE2 4.27Å; V59-F304 HydrophobicContact CG2-CE2 3.94Å; L65-F304 HydrophobicContact CD1-CB 4.08Å; L65-F304 HydrophobicContact CD1-CD2 3.97Å; L65-F304 HydrophobicContact CD1-CG 4.46Å; L65-F304 HydrophobicContact CD2-CB 4.34Å; L65-F304 HydrophobicContact CG-CB 3.95Å; L65-F304 HydrophobicContact CG-CD2 3.92Å; L65-F304 HydrophobicContact CG-CG 4.45Å; I266-F304 HydrophobicContact CG2-CB 4.23Å; I266-F304 HydrophobicContact CG2-CG 4.3Å; M270-F304 HydrophobicContact CG-CD1 4.06Å; M270-F304 HydrophobicContact CG-CE1 4.11Å; S300-F304 VanDerWaalsContact O-CB 3.23Å; S300-F304 WeakPolarHBondContact O-CB 3.46Å; S300-F304 PolarHBondContact O-N 3.34Å
305C96.1Very high96.3Very high14 Ų149.8 Ų9.810%0.0957%0.071CC..THydrogen-bonded Turntrans-88.72.3178.7-61.90000114.4M270 R280 A301 A302 V303 A307M270-C305 WeakPolarHBondContact CE-SG 3.34Å; R280-C305 WeakPolarHBondContact CA-O 3.15Å; R280-C305 PolarHBondContact N-O 3.47Å; A301-C305 PolarHBondContact O-N 3.05Å; A301-C305 PolarHBondContact O-SG 2.93Å; A301-C305 VanDerWaalsContact O-SG 3.32Å; A302-C305 PolarHBondContact O-N 3.36Å; V303-C305 PolarHBondContact O-N 2.84Å; V303-C305 VanDerWaalsContact O-N 3.15Å; C305-A307 VanDerWaalsContact C-N 3.28Å; C305-A307 PolarHBondContact O-N 2.8Å
306G98Very high95.8Very high1 Ų113.1 Ų13.11%0.019%0.088CC..THydrogen-bonded Turntrans68.225.5-174.300000113.6S73 Y94 A302 V303S73-G306 VanDerWaalsContact CB-O 3.32Å; S73-G306 WeakPolarHBondContact CB-O 3.31Å; S73-G306 PolarHBondContact OG-O 3.06Å; Y94-G306 VanDerWaalsContact OH-CA 3.31Å; Y94-G306 WeakPolarHBondContact OH-CA 3.49Å; A302-G306 PolarHBondContact O-N 3.07Å; V303-G306 PolarHBondContact O-N 3.42Å
307A98.5Very high95.2Very high0 Ų019.4 Ų19.40%013%0.127CC..  trans-79.9178.9-179.500000112.5Y94 C279 S282 A302 C305Y94-A307 WeakPolarHBondContact CE2-O 3.29Å; Y94-A307 PolarHBondContact OH-N 2.89Å; Y94-A307 PolarHBondContact OH-O 3.05Å; C279-A307 WeakPolarHBondContact O-CB 3.21Å; S282-A307 WeakPolarHBondContact O-CB 3.31Å; A302-A307 HydrophobicContact CB-CB 4.1Å; A302-A307 WeakPolarHBondContact O-CB 3.47Å; A302-A307 PolarHBondContact O-N 3.02Å; C305-A307 VanDerWaalsContact C-N 3.28Å; C305-A307 PolarHBondContact O-N 2.8Å
308Q98.7Very high94.8Very high33 Ų3319.8 Ų19.815%0.15413%0.132CC..EExtended strand (participates in β ladder)trans-101.2143.9179-63.417418.200110.9K77 W91 S282 V283 H284K77-Q308 HydrophobicContact CB-CG 3.9Å; K77-Q308 WeakPolarHBondContact O-CG 3.1Å; W91-Q308 HydrophobicContact CH2-CB 3.88Å; W91-Q308 HydrophobicContact CZ3-CB 3.72Å; W91-Q308 HydrophobicContact CZ3-CG 4.29Å; S282-Q308 PolarHBondContact O-N 3.28Å; V283-Q308 CarbonylContact C-O 3.53Å; V283-Q308 WeakPolarHBondContact CA-O 3.37Å; V283-Q308 HydrophobicContact CG1-CB 4.38Å; V283-Q308 HydrophobicContact CG2-CB 4.26Å; H284-Q308 PolarHBondContact N-O 3.36Å
309I98.9Very high94.5Very high0 Ų019.8 Ų19.80%013%0.131CC..EExtended strand (participates in β ladder)trans-117.7117.9171.1-62.2170.9000109C78 L79 G80 W91 F133 H284 A302 V303 F311C78-I309 PolarHBondContact O-N 2.88Å; L79-I309 CarbonylContact C-O 3.57Å; L79-I309 WeakPolarHBondContact CA-O 3.32Å; L79-I309 HydrophobicContact CD2-CB 4.08Å; L79-I309 HydrophobicContact CD2-CD1 4.26Å; G80-I309 PolarHBondContact N-O 2.92Å; W91-I309 WeakPolarHBondContact CZ3-O 3.38Å; F133-I309 HydrophobicContact CD2-CD1 4.22Å; F133-I309 HydrophobicContact CE2-CD1 3.8Å; H284-I309 HydrophobicContact CB-CG1 4.25Å; H284-I309 WeakPolarHBondContact O-CA 3.48Å; A302-I309 HydrophobicContact CB-CG1 4.27Å; V303-I309 HydrophobicContact CG2-CD1 3.59Å; I309-F311 HydrophobicContact CG2-CD2 4.46Å; I309-F311 HydrophobicContact CG2-CE1 4.07Å; I309-F311 HydrophobicContact CG2-CE2 3.93Å; I309-F311 HydrophobicContact CG2-CZ 3.71Å
310G98.5Very high94.2Very high0 Ų021.8 Ų21.80%014%0.142CC..EExtended strand (participates in β ladder)trans-101.6130.3168.900000111.5G80 H284 S286G80-G310 WeakPolarHBondContact O-CA 3.26Å; H284-G310 PolarHBondContact O-N 3.11Å; S286-G310 PolarHBondContact N-O 2.72Å
311F97.5Very high93.9Very high3 Ų325.9 Ų25.91%0.01316%0.164CC..EExtended strand (participates in β ladder)trans-91.3138.7179-64.7-81.2000111.8L79 G80 Y89 N128 P130 F133 S286 F290 I309L79-F311 HydrophobicContact CB-CE2 4.09Å; L79-F311 HydrophobicContact CD2-CE2 4Å; L79-F311 HydrophobicContact CD2-CZ 4.22Å; L79-F311 HydrophobicContact CG-CE2 4.44Å; G80-F311 WeakPolarHBondContact O-CD2 3.39Å; G80-F311 PolarHBondContact O-N 2.66Å; Y89-F311 WeakPolarHBondContact CE1-O 3.38Å; Y89-F311 PolarHBondContact OH-O 2.75Å; Y89-F311 VanDerWaalsContact OH-O 3.05Å; N128-F311 HydrophobicContact CB-CD1 3.83Å; N128-F311 HydrophobicContact CB-CE1 4.13Å; P130-F311 HydrophobicContact CB-CE2 4.27Å; P130-F311 VanDerWaalsContact CD-CD2 3.5Å; P130-F311 HydrophobicContact CG-CD2 3.65Å; P130-F311 HydrophobicContact CG-CE2 3.83Å; F133-F311 HydrophobicContact CB-CZ 4.11Å; S286-F311 WeakPolarHBondContact OG-CD1 3.43Å; S286-F311 VanDerWaalsContact OG-CE1 3.27Å; S286-F311 WeakPolarHBondContact OG-CE1 3.15Å; F290-F311 AromaticContact CE2-CE1 3.6Å; F290-F311 HydrophobicContact CE2-CE1 3.6Å; F290-F311 HydrophobicContact CE2-CZ 4.34Å; F290-F311 AromaticContact CZ-CE1 3.78Å; F290-F311 HydrophobicContact CZ-CE1 3.78Å; F290-F311 HydrophobicContact CZ-CZ 4.28Å; I309-F311 HydrophobicContact CG2-CD2 4.46Å; I309-F311 HydrophobicContact CG2-CE1 4.07Å; I309-F311 HydrophobicContact CG2-CE2 3.93Å; I309-F311 HydrophobicContact CG2-CZ 3.71Å
312L95Very high93.9Very high17 Ų1725.9 Ų25.99%0.08916%0.164CC..PPolyproline II helixtrans-54.6140.6173.5-163.973.6000111.1R127 S286 G314 A315 L319 D322R127-L312 PolarHBondContact NH2-O 2.96Å; S286-L312 PolarHBondContact O-N 2.88Å; L312-G314 VanDerWaalsContact CD2-O 3.27Å; L312-G314 WeakPolarHBondContact CD2-O 3.35Å; L312-A315 WeakPolarHBondContact CD2-O 3.44Å; L312-L319 HydrophobicContact CD1-CB 4.43Å; L312-L319 HydrophobicContact CD1-CD1 4.2Å; L312-D322 HydrophobicContact CD1-CB 3.68Å; L312-D322 WeakPolarHBondContact CD1-OD2 3.34Å; L312-D322 WeakPolarHBondContact CG-OD2 3.5Å
313T93.2Very high93.8Very high17 Ų1725.9 Ų25.910%0.10416%0.164CC..SBendtrans-74.2-33.7-177.4-55.10000112.4R82 Y83 T85 R127 D322R82-T313 HydrophobicContact CG-CG2 4.24Å; R82-T313 WeakPolarHBondContact CG-OG1 3.35Å; R82-T313 PolarHBondContact NE-OG1 3.1Å; Y83-T313 WeakPolarHBondContact O-CG2 3.45Å; T85-T313 HydrophobicContact CG2-CG2 4.27Å; R127-T313 VanDerWaalsContact CZ-O 3.25Å; R127-T313 PolarHBondContact NH1-O 3.08Å; R127-T313 PolarHBondContact NH2-O 3.38Å; T313-D322 WeakPolarHBondContact CB-OD2 3.09Å; T313-D322 PolarHBondContact N-OD2 3.13Å; T313-D322 PolarHBondContact OG1-OD1 3.46Å; T313-D322 PolarHBondContact OG1-OD2 2.75Å
314G87.4Confident93.5Very high37 Ų3731.5 Ų31.538%0.38119%0.19SC..SBendtrans-149.6-135-175.100000112.7L312L312-G314 VanDerWaalsContact CD2-O 3.27Å; L312-G314 WeakPolarHBondContact CD2-O 3.35Å
315A86.2Confident93.4Very high66 Ų6633.6 Ų33.655%0.54521%0.208SC..SBendtrans-75.5162.1176.700000112L312 T317 G318L312-A315 WeakPolarHBondContact CD2-O 3.44Å; A315-T317 PolarHBondContact O-N 2.92Å; A315-G318 PolarHBondContact O-N 2.93Å
316I84.6Confident93.5Very high70 Ų7033.6 Ų33.636%0.35921%0.207SC..G310 helixtrans-54.5-20.6179.4-168.560.6000114.3Y287 G318 L319Y287-I316 HydrophobicContact CD2-CD1 3.33Å; Y287-I316 HydrophobicContact CE2-CD1 3.75Å; Y287-I316 HydrophobicContact CG-CD1 4.24Å; I316-G318 PolarHBondContact O-N 3.05Å; I316-L319 HydrophobicContact CD1-CB 4.17Å; I316-L319 HydrophobicContact CD1-CD2 4.02Å; I316-L319 HydrophobicContact CD1-CG 4.49Å; I316-L319 VanDerWaalsContact O-CB 3.25Å; I316-L319 WeakPolarHBondContact O-CB 3.45Å; I316-L319 PolarHBondContact O-N 3.12Å; I316-L319 VanDerWaalsContact O-N 3.16Å
317T84.8Confident93.5Very high131 Ų13138.8 Ų38.880%0.80423%0.229SC*.G310 helixtrans-62.1-28.2174.647.80000112.9A315 L319A315-T317 PolarHBondContact O-N 2.92Å; T317-L319 VanDerWaalsContact C-N 3.34Å
318G88.6Confident93.4Very high13 Ų1338.8 Ų38.813%0.13423%0.229CC..G310 helixtrans-86.17.1175.600000114.9A315 I316 L320 D321 D322A315-G318 PolarHBondContact O-N 2.93Å; I316-G318 PolarHBondContact O-N 3.05Å; G318-L320 VanDerWaalsContact C-N 3.29Å; G318-L320 PolarHBondContact O-N 2.86Å; G318-D321 PolarHBondContact O-N 3.13Å; G318-D321 VanDerWaalsContact O-N 3.14Å; G318-D322 PolarHBondContact O-N 2.79Å; G318-D322 VanDerWaalsContact O-N 3.07Å
319L91.7Very high93.4Very high10 Ų1037.2 Ų37.25%0.05222%0.222CC..Hα-helixtrans-54.1-41.7-175177.563000113.5I285 Y287 L312 I316 T317 A323 V337I285-L319 HydrophobicContact CD1-CD1 3.74Å; I285-L319 HydrophobicContact CG1-CD1 4.47Å; Y287-L319 HydrophobicContact CD1-CD1 3.82Å; Y287-L319 HydrophobicContact CD2-CD1 4.3Å; Y287-L319 HydrophobicContact CE1-CD1 4.16Å; Y287-L319 HydrophobicContact CE2-CD2 4.2Å; Y287-L319 HydrophobicContact CG-CD1 3.86Å; L312-L319 HydrophobicContact CD1-CB 4.43Å; L312-L319 HydrophobicContact CD1-CD1 4.2Å; I316-L319 HydrophobicContact CD1-CB 4.17Å; I316-L319 HydrophobicContact CD1-CD2 4.02Å; I316-L319 HydrophobicContact CD1-CG 4.49Å; I316-L319 VanDerWaalsContact O-CB 3.25Å; I316-L319 WeakPolarHBondContact O-CB 3.45Å; I316-L319 PolarHBondContact O-N 3.12Å; I316-L319 VanDerWaalsContact O-N 3.16Å; T317-L319 VanDerWaalsContact C-N 3.34Å; L319-A323 VanDerWaalsContact O-CB 3.22Å; L319-A323 WeakPolarHBondContact O-CB 3.35Å; L319-A323 PolarHBondContact O-N 3.15Å; L319-V337 HydrophobicContact CD2-CG1 4.04Å
320L91.8Very high93.3Very high42 Ų4237.2 Ų37.222%0.2222%0.222CC..Hα-helixtrans-70.6-37.7-178.4-61.4-179.5000111.8G318 D322 A323 E324 K344 L393G318-L320 VanDerWaalsContact C-N 3.29Å; G318-L320 PolarHBondContact O-N 2.86Å; L320-D322 VanDerWaalsContact C-N 3.33Å; L320-D322 PolarHBondContact O-N 3.28Å; L320-A323 PolarHBondContact O-N 3.24Å; L320-E324 WeakPolarHBondContact O-CB 3.12Å; L320-E324 PolarHBondContact O-N 3.31Å; L320-K344 HydrophobicContact CD1-CD 4.3Å; L320-L393 HydrophobicContact CD2-CD2 3.58Å
321D92.4Very high93.2Very high86 Ų8637.3 Ų37.346%0.4622%0.222SC..Hα-helixtrans-66.8-37.6178.2-56.1-30.2000111.1R82 T85 G318 A325R82-D321 PolarHBondContact NH2-O 2.94Å; T85-D321 HydrophobicContact CG2-CB 4.24Å; G318-D321 PolarHBondContact O-N 3.13Å; G318-D321 VanDerWaalsContact O-N 3.14Å; D321-A325 PolarHBondContact O-N 3.35Å
322D95.7Very high93.1Very high0 Ų037.1 Ų37.10%022%0.222CC..Hα-helixtrans-71.2-42.1172.4-82.3-44.3000112.5R82 Y89 I285 L312 T313 G318 L320 E324 A325 L326R82-D322 IonicContact CZ-OD1 3.62Å; R82-D322 IonicContact NE-OD1 3.77Å; R82-D322 PolarHBondContact NE-OD1 2.97Å; R82-D322 IonicContact NH2-OD1 3.82Å; R82-D322 PolarHBondContact NH2-OD1 3.26Å; Y89-D322 PolarHBondContact OH-OD1 2.79Å; I285-D322 HydrophobicContact CD1-CB 4.4Å; L312-D322 HydrophobicContact CD1-CB 3.68Å; L312-D322 WeakPolarHBondContact CD1-OD2 3.34Å; L312-D322 WeakPolarHBondContact CG-OD2 3.5Å; T313-D322 WeakPolarHBondContact CB-OD2 3.09Å; T313-D322 PolarHBondContact N-OD2 3.13Å; T313-D322 PolarHBondContact OG1-OD1 3.46Å; T313-D322 PolarHBondContact OG1-OD2 2.75Å; G318-D322 PolarHBondContact O-N 2.79Å; G318-D322 VanDerWaalsContact O-N 3.07Å; L320-D322 VanDerWaalsContact C-N 3.33Å; L320-D322 PolarHBondContact O-N 3.28Å; D322-E324 PolarHBondContact O-N 2.93Å; D322-A325 PolarHBondContact O-N 2.92Å; D322-L326 WeakPolarHBondContact O-CB 3.42Å; D322-L326 PolarHBondContact O-N 2.86Å
323A95.7Very high93Very high0 Ų036.3 Ų36.30%022%0.217CC..Hα-helixtrans-63.3-40.3176.800000112I285 L319 L320 K327 P328 G394I285-A323 HydrophobicContact CD1-CB 4.11Å; L319-A323 VanDerWaalsContact O-CB 3.22Å; L319-A323 WeakPolarHBondContact O-CB 3.35Å; L319-A323 PolarHBondContact O-N 3.15Å; L320-A323 PolarHBondContact O-N 3.24Å; A323-K327 WeakPolarHBondContact O-CA 3.31Å; A323-K327 PolarHBondContact O-N 3.47Å; A323-P328 HydrophobicContact CB-CG 4.24Å; A323-P328 WeakPolarHBondContact O-CD 3.46Å; A323-G394 VanDerWaalsContact O-CA 3.3Å; A323-G394 WeakPolarHBondContact O-CA 3.22Å
324E93.7Very high92.7Very high118 Ų11837.8 Ų37.855%0.55123%0.226SC*.Hα-helixtrans-62.8-43.4176.9-175169.3-170.300112L320 D322 K327L320-E324 WeakPolarHBondContact O-CB 3.12Å; L320-E324 PolarHBondContact O-N 3.31Å; D322-E324 PolarHBondContact O-N 2.93Å; E324-K327 WeakPolarHBondContact O-CG 3.33Å
325A94.8Very high92.5Very high48 Ų4836.7 Ų36.740%0.39721%0.212SC..Hα-helixtrans-71.6-44.5178.400000112.8R82 Y89 D321 D322R82-A325 VanDerWaalsContact NH1-CB 3.3Å; Y89-A325 HydrophobicContact CE2-CB 4.27Å; D321-A325 PolarHBondContact O-N 3.35Å; D322-A325 PolarHBondContact O-N 2.92Å
326L97.1Very high92.1Very high13 Ų1340.2 Ų40.27%0.06821%0.211CC..Hα-helixtrans-77.4-29.7-174.6-175.661.2000112.7Y89 W91 V283 I285 D322Y89-L326 HydrophobicContact CD1-CD1 4.09Å; Y89-L326 HydrophobicContact CD2-CD1 4.42Å; Y89-L326 HydrophobicContact CE1-CD1 4.02Å; Y89-L326 HydrophobicContact CE2-CB 4.01Å; Y89-L326 HydrophobicContact CE2-CD1 4.36Å; Y89-L326 HydrophobicContact CG-CD1 4.3Å; W91-L326 HydrophobicContact CH2-CD1 3.72Å; W91-L326 HydrophobicContact CZ2-CD1 3.62Å; V283-L326 HydrophobicContact CG1-CD1 3.68Å; V283-L326 HydrophobicContact CG1-CD2 4.25Å; V283-L326 HydrophobicContact CG1-CG 3.68Å; I285-L326 HydrophobicContact CB-CD2 3.78Å; I285-L326 HydrophobicContact CD1-CD2 4.21Å; I285-L326 HydrophobicContact CG1-CD2 3.86Å; D322-L326 WeakPolarHBondContact O-CB 3.42Å; D322-L326 PolarHBondContact O-N 2.86Å
327K97.6Very high92.1Very high111 Ų11137.8 Ų37.848%0.48320%0.2SC..  trans54.460.2-176.2-54.7-178-178.9175.70112.7A323 E324 G394 R396A323-K327 WeakPolarHBondContact O-CA 3.31Å; A323-K327 PolarHBondContact O-N 3.47Å; E324-K327 WeakPolarHBondContact O-CG 3.33Å; K327-G394 WeakPolarHBondContact CG-O 3.49Å; K327-R396 HydrophobicContact CB-CG 4.24Å
328P98.3Very high92.2Very high0 Ų031.5 Ų31.50%016%0.161CC..  trans-61.1148.1-176.827.9-34.6000111.6V283 I285 A323 R396 V397V283-P328 CarbonylContact O-C 3.56Å; V283-P328 WeakPolarHBondContact O-CA 3.33Å; I285-P328 HydrophobicContact CB-CB 4.02Å; I285-P328 HydrophobicContact CB-CG 4.41Å; I285-P328 HydrophobicContact CG2-CB 3.84Å; I285-P328 HydrophobicContact CG2-CG 4.12Å; A323-P328 HydrophobicContact CB-CG 4.24Å; A323-P328 WeakPolarHBondContact O-CD 3.46Å; P328-R396 CarbonylContact O-C 3.59Å; P328-V397 HydrophobicContact CG-CG2 4.36Å; P328-V397 PolarHBondContact O-N 2.93Å; P328-V397 VanDerWaalsContact O-N 3.15Å
329T98.3Very high92Very high0 Ų031.8 Ų31.80%016%0.161CC..SBendtrans-97.8-27.6175640000111.6I17 S282 V283 R396 V397 C398 M399I17-T329 HydrophobicContact CD1-CG2 3.62Å; I17-T329 HydrophobicContact CG1-CG2 4.07Å; I17-T329 HydrophobicContact CG2-CG2 3.91Å; S282-T329 VanDerWaalsContact CA-OG1 3.23Å; S282-T329 WeakPolarHBondContact CA-OG1 3.39Å; S282-T329 WeakPolarHBondContact CB-OG1 3.4Å; S282-T329 PolarHBondContact OG-OG1 2.96Å; V283-T329 HydrophobicContact CB-CG2 4.43Å; V283-T329 PolarHBondContact N-OG1 2.99Å; V283-T329 PolarHBondContact O-N 2.91Å; V283-T329 PolarHBondContact O-OG1 3.44Å; T329-R396 WeakPolarHBondContact CA-O 3.31Å; T329-R396 HydrophobicContact CG2-CB 4.36Å; T329-V397 CarbonylContact O-C 3.57Å; T329-V397 WeakPolarHBondContact O-CA 3.11Å; T329-C398 PolarHBondContact O-N 3.29Å; T329-C398 PolarHBondContact O-SG 3.35Å; T329-M399 PolarHBondContact O-N 2.78Å
330V96.5Very high91.5Very high0 Ų037.5 Ų37.50%018%0.182CC..EExtended strand (participates in β ladder)trans-121.5134.3174-178.30000108.5L277 Y278 P332 M399 V401L277-V330 HydrophobicContact CD1-CG1 3.68Å; L277-V330 HydrophobicContact CD1-CG2 4.08Å; L277-V330 WeakPolarHBondContact O-CG2 3.38Å; Y278-V330 HydrophobicContact CD1-CB 4.48Å; Y278-V330 HydrophobicContact CD1-CG2 3.79Å; Y278-V330 HydrophobicContact CE1-CB 3.63Å; Y278-V330 HydrophobicContact CE1-CG1 4.22Å; Y278-V330 HydrophobicContact CE1-CG2 3.43Å; Y278-V330 VanDerWaalsContact CE1-CG2 3.43Å; Y278-V330 HydrophobicContact CG-CG2 4.46Å; Y278-V330 WeakPolarHBondContact OH-CG1 3.27Å; V330-P332 WeakPolarHBondContact O-CD 3.44Å; V330-M399 CarbonylContact C-O 3.53Å; V330-M399 WeakPolarHBondContact CA-O 3.44Å; V330-V401 HydrophobicContact CG1-CG2 4.35Å
331L96.3Very high91.4Very high1 Ų136.4 Ų36.41%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-116.292.3175.2-177.767.7000109.7I285 Y287 L393 V397 M399 I400 V401I285-L331 HydrophobicContact CG2-CD1 4.06Å; Y287-L331 HydrophobicContact CE1-CD1 4.08Å; L331-L393 HydrophobicContact CD2-CD1 3.91Å; L331-L393 HydrophobicContact CD2-CD2 4.19Å; L331-V397 HydrophobicContact CB-CG1 4.07Å; L331-V397 HydrophobicContact CB-CG2 4.29Å; L331-M399 PolarHBondContact N-O 3.27Å; L331-I400 HydrophobicContact CB-CG1 4.37Å; L331-I400 HydrophobicContact CD2-CG1 4.49Å; L331-I400 VanDerWaalsContact O-CA 3.32Å; L331-I400 WeakPolarHBondContact O-CA 3.44Å; L331-V401 PolarHBondContact O-N 2.87Å
332P95.6Very high91.2Very high0 Ų033.6 Ų33.60%016%0.159CC..EExtended strand (participates in β ladder)trans-74.6127.4168.926.6-23.8000109.4H284 Y287 L288 M294 T298 V330 V401H284-P332 VanDerWaalsContact CE1-CG 3.47Å; H284-P332 WeakPolarHBondContact CE1-CG 3.28Å; Y287-P332 WeakPolarHBondContact CE1-O 3.45Å; Y287-P332 PolarHBondContact OH-O 2.94Å; L288-P332 HydrophobicContact CD1-CB 4.05Å; M294-P332 HydrophobicContact CE-CB 4.12Å; T298-P332 HydrophobicContact CG2-CB 3.81Å; T298-P332 HydrophobicContact CG2-CG 4.35Å; V330-P332 WeakPolarHBondContact O-CD 3.44Å; P332-V401 CarbonylContact C-O 3.6Å; P332-V401 VanDerWaalsContact CA-O 3.3Å; P332-V401 WeakPolarHBondContact CA-O 3.37Å
333A92.2Very high90.6Very high0 Ų038 Ų380%018%0.18CC..EExtended strand (participates in β ladder)trans-145.8146.1-174.600000112.5Y287 V337 L338 V401 T402Y287-A333 WeakPolarHBondContact OH-CA 3.48Å; Y287-A333 WeakPolarHBondContact OH-CB 3.07Å; A333-V337 HydrophobicContact CB-CB 4.43Å; A333-V337 HydrophobicContact CB-CG1 4.45Å; A333-L338 HydrophobicContact CB-CD2 3.75Å; A333-L338 HydrophobicContact CB-CG 3.92Å; A333-V401 PolarHBondContact N-O 2.82Å; A333-T402 WeakPolarHBondContact O-CA 3.31Å; A333-T402 WeakPolarHBondContact O-CB 3.49Å; A333-T402 PolarHBondContact O-OG1 2.8Å
334V86.3Confident90.2Very high48 Ų4844.5 Ų44.529%0.29121%0.208SC..  trans-87.3156.1166.6-63.10000110.4L288 R336 V337 L338L288-V334 HydrophobicContact CD2-CG1 4.43Å; V334-R336 HydrophobicContact CG2-CB 4.43Å; V334-R336 PolarHBondContact O-N 2.92Å; V334-V337 HydrophobicContact CG2-CB 4.4Å; V334-V337 HydrophobicContact CG2-CG2 3.79Å; V334-V337 PolarHBondContact O-N 3.09Å; V334-L338 PolarHBondContact O-N 3.13Å
335P83.1Confident90.1Very high13 Ų1340.1 Ų40.18%0.08419%0.187CC..Hα-helixtrans-51.3-35.6-178.9-31.436.2000114.5V337 L338 S339 G403 A405 P406 L407P335-V337 VanDerWaalsContact C-N 3.32Å; P335-V337 PolarHBondContact O-N 3.36Å; P335-L338 PolarHBondContact O-N 2.88Å; P335-S339 WeakPolarHBondContact O-CB 3.45Å; P335-S339 PolarHBondContact O-N 2.93Å; P335-G403 WeakPolarHBondContact CD-O 3.2Å; P335-A405 HydrophobicContact CG-CB 4Å; P335-A405 VanDerWaalsContact CG-O 3.31Å; P335-A405 WeakPolarHBondContact CG-O 3.4Å; P335-P406 WeakPolarHBondContact CG-O 3.16Å; P335-L407 HydrophobicContact CB-CD1 4.2Å; P335-L407 HydrophobicContact CG-CD1 4.38Å
336R78.8Confident89.9Confident140 Ų14038.9 Ų38.953%0.52817%0.173SC..Hα-helixtrans-63.4-32.9176.4-177.157166.7177.4-4113.7V334 S339 R340V334-R336 HydrophobicContact CG2-CB 4.43Å; V334-R336 PolarHBondContact O-N 2.92Å; R336-S339 PolarHBondContact O-OG 3.14Å; R336-R340 WeakPolarHBondContact O-CG 3.34Å; R336-R340 PolarHBondContact O-N 3.44Å
337V83.9Confident89.4Confident19 Ų1944.6 Ų44.612%0.11520%0.203CC..Hα-helixtrans-73.1-43.3175.3174.80000109.6Y287 L319 A333 V334 P335 S339 R340 I341Y287-V337 HydrophobicContact CE2-CG1 4.46Å; Y287-V337 HydrophobicContact CE2-CG2 4.21Å; L319-V337 HydrophobicContact CD2-CG1 4.04Å; A333-V337 HydrophobicContact CB-CB 4.43Å; A333-V337 HydrophobicContact CB-CG1 4.45Å; V334-V337 HydrophobicContact CG2-CB 4.4Å; V334-V337 HydrophobicContact CG2-CG2 3.79Å; V334-V337 PolarHBondContact O-N 3.09Å; P335-V337 VanDerWaalsContact C-N 3.32Å; P335-V337 PolarHBondContact O-N 3.36Å; V337-S339 VanDerWaalsContact C-N 3.33Å; V337-S339 PolarHBondContact O-N 2.79Å; V337-R340 PolarHBondContact O-N 3.2Å; V337-I341 HydrophobicContact CG1-CD1 4.04Å; V337-I341 WeakPolarHBondContact O-CG1 3.12Å; V337-I341 PolarHBondContact O-N 3Å
338L88.3Confident89Confident0 Ų043.2 Ų43.20%021%0.212CC..Hα-helixtrans-61.5-40.4175.6-65.3-175.8000111.9A333 V334 P335 I341 Y342 I400 T402 L407 F415 I423A333-L338 HydrophobicContact CB-CD2 3.75Å; A333-L338 HydrophobicContact CB-CG 3.92Å; V334-L338 PolarHBondContact O-N 3.13Å; P335-L338 PolarHBondContact O-N 2.88Å; L338-I341 PolarHBondContact O-N 3.35Å; L338-Y342 WeakPolarHBondContact O-CB 3.5Å; L338-Y342 PolarHBondContact O-N 3.43Å; L338-I400 HydrophobicContact CD2-CG2 4.07Å; L338-T402 HydrophobicContact CD1-CG2 4.09Å; L338-L407 HydrophobicContact CD1-CD1 3.9Å; L338-F415 HydrophobicContact CB-CD2 4.29Å; L338-F415 HydrophobicContact CB-CE2 3.6Å; L338-F415 HydrophobicContact CB-CZ 3.98Å; L338-F415 HydrophobicContact CD1-CD2 4.4Å; L338-F415 HydrophobicContact CD1-CE2 4.47Å; L338-F415 HydrophobicContact CD2-CD1 4.37Å; L338-F415 HydrophobicContact CD2-CD2 4.36Å; L338-F415 HydrophobicContact CD2-CE1 3.91Å; L338-F415 HydrophobicContact CD2-CE2 3.95Å; L338-F415 HydrophobicContact CD2-CZ 3.7Å; L338-F415 HydrophobicContact CG-CE2 4.2Å; L338-F415 HydrophobicContact CG-CZ 4.39Å; L338-I423 HydrophobicContact CD1-CD1 4.34Å
339S83.8Confident88.6Confident18 Ų1843.8 Ų43.813%0.12622%0.216CC..Hα-helixtrans-62.8-44.9176.390.40000111.4P335 R336 V337 I341 Y342 E343P335-S339 WeakPolarHBondContact O-CB 3.45Å; P335-S339 PolarHBondContact O-N 2.93Å; R336-S339 PolarHBondContact O-OG 3.14Å; V337-S339 VanDerWaalsContact C-N 3.33Å; V337-S339 PolarHBondContact O-N 2.79Å; S339-I341 VanDerWaalsContact C-N 3.35Å; S339-I341 PolarHBondContact O-N 3.2Å; S339-Y342 CarbonylContact O-C 3.5Å; S339-Y342 WeakPolarHBondContact O-CB 3.42Å; S339-Y342 PolarHBondContact O-N 3.33Å; S339-Y342 VanDerWaalsContact O-N 3.17Å; S339-E343 WeakPolarHBondContact O-CB 3.24Å; S339-E343 VanDerWaalsContact O-CG 3.27Å; S339-E343 WeakPolarHBondContact O-CG 3.27Å; S339-E343 PolarHBondContact O-N 2.75Å; S339-E343 PolarHBondContact OG-OE1 3.35Å
340R81.5Confident88Confident130 Ų13045.1 Ų45.149%0.49123%0.229SC..Hα-helixtrans-61.9-41176.4-76177.8173.2-178-1.4112.6R336 V337 K344R336-R340 WeakPolarHBondContact O-CG 3.34Å; R336-R340 PolarHBondContact O-N 3.44Å; V337-R340 PolarHBondContact O-N 3.2Å; R340-K344 VanDerWaalsContact O-CB 3.3Å; R340-K344 WeakPolarHBondContact O-CB 3.34Å; R340-K344 PolarHBondContact O-N 3.2Å
341I89.4Confident87.5Confident19 Ų1953 Ų5310%0.09727%0.271CS..Hα-helixtrans-63.4-45.4174.9-68.4167.2000109.8V337 L338 S339 Y345 L389 L393 F415V337-I341 HydrophobicContact CG1-CD1 4.04Å; V337-I341 WeakPolarHBondContact O-CG1 3.12Å; V337-I341 PolarHBondContact O-N 3Å; L338-I341 PolarHBondContact O-N 3.35Å; S339-I341 VanDerWaalsContact C-N 3.35Å; S339-I341 PolarHBondContact O-N 3.2Å; I341-Y345 VanDerWaalsContact O-CB 3.3Å; I341-Y345 WeakPolarHBondContact O-CB 3.45Å; I341-Y345 PolarHBondContact O-N 3.48Å; I341-L389 HydrophobicContact CG2-CD1 3.81Å; I341-L393 HydrophobicContact CD1-CD2 4.27Å; I341-F415 HydrophobicContact CB-CZ 4.23Å; I341-F415 HydrophobicContact CG2-CE1 4.25Å; I341-F415 HydrophobicContact CG2-CZ 4.02Å
342Y88.7Confident87.2Confident28 Ų2856.2 Ų56.211%0.1129%0.294CS..Hα-helixtrans-58.9-54.7177176.9-104.4000111.7L338 S339 K344 Y345 Q346 E410 L411 F414L338-Y342 WeakPolarHBondContact O-CB 3.5Å; L338-Y342 PolarHBondContact O-N 3.43Å; S339-Y342 CarbonylContact O-C 3.5Å; S339-Y342 WeakPolarHBondContact O-CB 3.42Å; S339-Y342 PolarHBondContact O-N 3.33Å; S339-Y342 VanDerWaalsContact O-N 3.17Å; Y342-K344 PolarHBondContact O-N 3.18Å; Y342-Y345 CarbonylContact O-C 3.22Å; Y342-Y345 WeakPolarHBondContact O-CA 3.24Å; Y342-Y345 WeakPolarHBondContact O-CB 3.42Å; Y342-Y345 PolarHBondContact O-N 2.85Å; Y342-Y345 VanDerWaalsContact O-N 3.08Å; Y342-Q346 HydrophobicContact CD1-CG 4.06Å; Y342-Q346 HydrophobicContact CD2-CG 4.13Å; Y342-Q346 HydrophobicContact CE1-CG 3.71Å; Y342-Q346 HydrophobicContact CE2-CG 3.8Å; Y342-Q346 HydrophobicContact CG-CG 4.26Å; Y342-Q346 WeakPolarHBondContact O-CG 3.26Å; Y342-Q346 PolarHBondContact O-N 2.97Å; Y342-E410 HydrophobicContact CE1-CG 4.45Å; Y342-E410 VanDerWaalsContact CZ-OE1 3.31Å; Y342-E410 PolarHBondContact OH-OE1 2.94Å; Y342-L411 VanDerWaalsContact CB-CD2 3.45Å; Y342-L411 HydrophobicContact CD1-CD2 3.77Å; Y342-L411 HydrophobicContact CD2-CD2 4.07Å; Y342-L411 HydrophobicContact CG-CD2 3.49Å; Y342-L411 VanDerWaalsContact CG-CD2 3.49Å; Y342-F414 HydrophobicContact CD2-CB 4.08Å; Y342-F414 AromaticContact CD2-CD1 3.51Å; Y342-F414 HydrophobicContact CD2-CD1 3.51Å; Y342-F414 AromaticContact CD2-CD2 3.81Å; Y342-F414 HydrophobicContact CD2-CD2 3.81Å; Y342-F414 AromaticContact CD2-CE1 3.78Å; Y342-F414 HydrophobicContact CD2-CE1 3.78Å; Y342-F414 HydrophobicContact CD2-CE2 4.06Å; Y342-F414 AromaticContact CD2-CG 3.5Å; Y342-F414 HydrophobicContact CD2-CG 3.5Å; Y342-F414 HydrophobicContact CD2-CZ 4.03Å; Y342-F414 HydrophobicContact CE2-CB 3.92Å; Y342-F414 HydrophobicContact CE2-CD1 4.14Å; Y342-F414 AromaticContact CE2-CD2 3.65Å; Y342-F414 HydrophobicContact CE2-CD2 3.65Å; Y342-F414 HydrophobicContact CE2-CE2 4.15Å; Y342-F414 AromaticContact CE2-CG 3.62Å; Y342-F414 HydrophobicContact CE2-CG 3.62Å
343E83.2Confident87Confident91 Ų9164.4 Ų64.443%0.42533%0.33SS..Hα-helixtrans-56-48.2178.9-71.6160.5-145.700111.5S339 Y345 Q346 N347S339-E343 WeakPolarHBondContact O-CB 3.24Å; S339-E343 VanDerWaalsContact O-CG 3.27Å; S339-E343 WeakPolarHBondContact O-CG 3.27Å; S339-E343 PolarHBondContact O-N 2.75Å; S339-E343 PolarHBondContact OG-OE1 3.35Å; E343-Y345 VanDerWaalsContact C-N 3.31Å; E343-Y345 PolarHBondContact O-N 3.18Å; E343-Q346 PolarHBondContact O-N 3.33Å; E343-N347 WeakPolarHBondContact O-CB 3.09Å; E343-N347 PolarHBondContact O-N 2.75Å; E343-N347 PolarHBondContact O-ND2 3.21Å
344K86.8Confident87.1Confident137 Ų13770.1 Ų70.160%0.59636%0.359SS*.Hα-helixtrans-60.4-41.2176.7-177.1171.5179.2175.70111.7L320 R340 Y342 A348L320-K344 HydrophobicContact CD1-CD 4.3Å; R340-K344 VanDerWaalsContact O-CB 3.3Å; R340-K344 WeakPolarHBondContact O-CB 3.34Å; R340-K344 PolarHBondContact O-N 3.2Å; Y342-K344 PolarHBondContact O-N 3.18Å; K344-A348 WeakPolarHBondContact O-CB 3.35Å; K344-A348 PolarHBondContact O-N 2.84Å
345Y92.4Very high87.4Confident27 Ų2771.9 Ų71.911%0.10636%0.363CS..Hα-helixtrans-66.5-46.2176.7176.3-91.5000112.1I341 Y342 E343 N347 A348 L349 Y359 F385 L389 F414I341-Y345 VanDerWaalsContact O-CB 3.3Å; I341-Y345 WeakPolarHBondContact O-CB 3.45Å; I341-Y345 PolarHBondContact O-N 3.48Å; Y342-Y345 CarbonylContact O-C 3.22Å; Y342-Y345 WeakPolarHBondContact O-CA 3.24Å; Y342-Y345 WeakPolarHBondContact O-CB 3.42Å; Y342-Y345 PolarHBondContact O-N 2.85Å; Y342-Y345 VanDerWaalsContact O-N 3.08Å; E343-Y345 VanDerWaalsContact C-N 3.31Å; E343-Y345 PolarHBondContact O-N 3.18Å; Y345-N347 VanDerWaalsContact C-N 3.33Å; Y345-N347 PolarHBondContact O-N 3.34Å; Y345-A348 PolarHBondContact O-N 3.15Å; Y345-L349 PolarHBondContact O-N 2.83Å; Y345-Y359 AromaticContact CE1-CE2 3.77Å; Y345-Y359 HydrophobicContact CE1-CE2 3.77Å; Y345-F385 WeakPolarHBondContact CE2-O 3.21Å; Y345-F385 PolarHBondContact OH-O 3.45Å; Y345-L389 HydrophobicContact CD2-CB 3.83Å; Y345-L389 HydrophobicContact CD2-CD1 4.06Å; Y345-L389 HydrophobicContact CD2-CD2 4Å; Y345-L389 HydrophobicContact CD2-CG 4.19Å; Y345-L389 HydrophobicContact CE2-CB 3.82Å; Y345-L389 HydrophobicContact CE2-CD2 4.17Å; Y345-L389 HydrophobicContact CE2-CG 4.5Å; Y345-L389 HydrophobicContact CG-CD1 4.5Å; Y345-L389 HydrophobicContact CG-CD2 4.35Å; Y345-F414 AromaticContact CD1-CE2 3.65Å; Y345-F414 HydrophobicContact CD1-CE2 3.65Å; Y345-F414 AromaticContact CD1-CZ 3.53Å; Y345-F414 HydrophobicContact CD1-CZ 3.53Å; Y345-F414 AromaticContact CE1-CE2 3.66Å; Y345-F414 HydrophobicContact CE1-CE2 3.66Å; Y345-F414 AromaticContact CE1-CZ 3.89Å; Y345-F414 HydrophobicContact CE1-CZ 3.89Å; Y345-F414 AromaticContact CG-CZ 4Å; Y345-F414 HydrophobicContact CG-CZ 4Å
346Q89Confident87.9Confident22 Ų2274.8 Ų74.810%0.10337%0.372CS..Hα-helixtrans-59.7-44.9177.7-67.4-52.5-32.700111.1Y342 E343 A348 L349 G350 Y359Y342-Q346 HydrophobicContact CD1-CG 4.06Å; Y342-Q346 HydrophobicContact CD2-CG 4.13Å; Y342-Q346 HydrophobicContact CE1-CG 3.71Å; Y342-Q346 HydrophobicContact CE2-CG 3.8Å; Y342-Q346 HydrophobicContact CG-CG 4.26Å; Y342-Q346 WeakPolarHBondContact O-CG 3.26Å; Y342-Q346 PolarHBondContact O-N 2.97Å; E343-Q346 PolarHBondContact O-N 3.33Å; Q346-A348 PolarHBondContact O-N 2.87Å; Q346-L349 WeakPolarHBondContact O-CB 3.4Å; Q346-L349 PolarHBondContact O-N 3.36Å; Q346-G350 PolarHBondContact O-N 3.02Å; Q346-Y359 PolarHBondContact NE2-OH 2.79Å
347N87.2Confident88.6Confident133 Ų13375.2 Ų75.271%0.71138%0.375SS*.Hα-helixtrans-61.9-41.6176.6-70.2-21.5000112.1E343 Y345 L349 G350E343-N347 WeakPolarHBondContact O-CB 3.09Å; E343-N347 PolarHBondContact O-N 2.75Å; E343-N347 PolarHBondContact O-ND2 3.21Å; Y345-N347 VanDerWaalsContact C-N 3.33Å; Y345-N347 PolarHBondContact O-N 3.34Å; N347-L349 VanDerWaalsContact C-N 3.3Å; N347-L349 PolarHBondContact O-N 3.48Å; N347-G350 PolarHBondContact O-N 2.72Å
348A90Very high89.1Confident81 Ų8177.2 Ų77.267%0.66938%0.384SS*.Hα-helixtrans-70.3-24.217700000113.4K344 Y345 Q346 G350K344-A348 WeakPolarHBondContact O-CB 3.35Å; K344-A348 PolarHBondContact O-N 2.84Å; Y345-A348 PolarHBondContact O-N 3.15Å; Q346-A348 PolarHBondContact O-N 2.87Å; A348-G350 VanDerWaalsContact C-N 3.33Å
349L89.6Confident89.5Confident13 Ų1377.2 Ų77.27%0.06839%0.385CS..Hα-helixtrans-66.8-37.4174.9-168.174.8000111.1Y345 Q346 N347 K355 Y359 F385Y345-L349 PolarHBondContact O-N 2.83Å; Q346-L349 WeakPolarHBondContact O-CB 3.4Å; Q346-L349 PolarHBondContact O-N 3.36Å; N347-L349 VanDerWaalsContact C-N 3.3Å; N347-L349 PolarHBondContact O-N 3.48Å; L349-K355 HydrophobicContact CD1-CD 4.47Å; L349-K355 WeakPolarHBondContact O-CD 3.07Å; L349-K355 WeakPolarHBondContact O-CE 3.31Å; L349-K355 PolarHBondContact O-NZ 3.05Å; L349-Y359 HydrophobicContact CD1-CD2 4.44Å; L349-Y359 HydrophobicContact CD2-CD1 3.74Å; L349-Y359 HydrophobicContact CD2-CD2 3.88Å; L349-Y359 HydrophobicContact CD2-CE1 4.25Å; L349-Y359 HydrophobicContact CD2-CE2 4.35Å; L349-Y359 HydrophobicContact CD2-CG 3.54Å; L349-F385 HydrophobicContact CD1-CD1 3.88Å; L349-F385 HydrophobicContact CD1-CE1 4.11Å
350G86.1Confident90Very high28 Ų2879.3 Ų79.329%0.28939%0.392SS..  trans73.6-175.6-178.600000113.9Q346 N347 A348Q346-G350 PolarHBondContact O-N 3.02Å; N347-G350 PolarHBondContact O-N 2.72Å; A348-G350 VanDerWaalsContact C-N 3.33Å
351N85.5Confident90.6Very high164 Ų16478.6 Ų78.688%0.87739%0.391SS*.  trans-107.716.3-165.7-64.8-20.3000115.1F353N351-F353 PolarHBondContact O-N 3.2Å
352S90.5Very high90.9Very high69 Ų6977.7 Ų77.748%0.48339%0.386SS..  trans-62.3122.6176.3169.20000110.4I354 K355 R356S352-I354 PolarHBondContact O-N 3.17Å; S352-K355 PolarHBondContact O-N 3.45Å; S352-R356 WeakPolarHBondContact O-CB 3.14Å; S352-R356 PolarHBondContact O-N 2.84Å
353F90.4Very high91.2Very high173 Ų17377.3 Ų77.376%0.75939%0.386SS*.Hα-helixtrans-56.4-49.4-174.9-177.2-95.4000113N351 K355 R356 Y357N351-F353 PolarHBondContact O-N 3.2Å; F353-K355 PolarHBondContact O-N 2.84Å; F353-R356 PolarHBondContact O-N 3.31Å; F353-Y357 WeakPolarHBondContact O-CB 3.28Å; F353-Y357 PolarHBondContact O-N 3.33Å
354I93.5Very high91.7Very high120 Ų12079.9 Ų79.962%0.61540%0.395SS*.Hα-helixtrans-63.6-44.1179.4-61.4173.4000110.4S352 R356 Y357 L358S352-I354 PolarHBondContact O-N 3.17Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 PolarHBondContact O-N 3.16Å; I354-Y357 PolarHBondContact O-N 2.59Å; I354-L358 HydrophobicContact CG2-CD1 4.06Å; I354-L358 HydrophobicContact CG2-CG 4.48Å; I354-L358 WeakPolarHBondContact O-CB 3.37Å; I354-L358 WeakPolarHBondContact O-CG 3.37Å; I354-L358 PolarHBondContact O-N 2.88Å
355K93.2Very high92.1Very high84 Ų8477.1 Ų77.137%0.36538%0.381SS..Hα-helixtrans-62.1-41.7178.5-170-179.5179.4-170.30111.1L349 S352 F353 Y359 F385L349-K355 HydrophobicContact CD1-CD 4.47Å; L349-K355 WeakPolarHBondContact O-CD 3.07Å; L349-K355 WeakPolarHBondContact O-CE 3.31Å; L349-K355 PolarHBondContact O-NZ 3.05Å; S352-K355 PolarHBondContact O-N 3.45Å; F353-K355 PolarHBondContact O-N 2.84Å; K355-Y359 VanDerWaalsContact O-CB 3.3Å; K355-Y359 WeakPolarHBondContact O-CB 3.46Å; K355-Y359 PolarHBondContact O-N 3.02Å; K355-F385 HydrophobicContact CG-CE1 3.99Å
356R93.3Very high92.1Very high74 Ų7475.9 Ų75.928%0.27938%0.376SS..Hα-helixtrans-67-45.5178.4-168.571.4-166.7-178.86.7111.4S352 F353 I354 L358 Y359 E360S352-R356 WeakPolarHBondContact O-CB 3.14Å; S352-R356 PolarHBondContact O-N 2.84Å; F353-R356 PolarHBondContact O-N 3.31Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 PolarHBondContact O-N 3.16Å; R356-L358 PolarHBondContact O-N 2.79Å; R356-Y359 WeakPolarHBondContact O-CB 3.08Å; R356-Y359 PolarHBondContact O-N 2.66Å; R356-E360 HydrophobicContact CG-CG 4.49Å; R356-E360 IonicContact CZ-OE1 3.64Å; R356-E360 VanDerWaalsContact CZ-OE1 3.27Å; R356-E360 IonicContact NE-OE1 3.78Å; R356-E360 PolarHBondContact NE-OE1 2.95Å; R356-E360 VanDerWaalsContact NE-OE1 3.14Å; R356-E360 IonicContact NH2-OE1 2.7Å; R356-E360 PolarHBondContact NH2-OE1 2.91Å; R356-E360 WeakPolarHBondContact O-CG 3.03Å; R356-E360 PolarHBondContact O-N 2.8Å
357Y94.1Very high92.4Very high149 Ų14975.8 Ų75.858%0.58438%0.377SS*.Hα-helixtrans-57.4-48.6175.6177.4-94.5000111.9F353 I354 Y359 E360 Y361F353-Y357 WeakPolarHBondContact O-CB 3.28Å; F353-Y357 PolarHBondContact O-N 3.33Å; I354-Y357 PolarHBondContact O-N 2.59Å; Y357-Y359 VanDerWaalsContact C-N 3.35Å; Y357-Y359 PolarHBondContact O-N 2.94Å; Y357-E360 PolarHBondContact O-N 3.45Å; Y357-Y361 VanDerWaalsContact O-CB 3.32Å; Y357-Y361 WeakPolarHBondContact O-CB 3.43Å; Y357-Y361 PolarHBondContact O-N 2.72Å
358L95.2Very high92.6Very high61 Ų6177.4 Ų77.432%0.31938%0.377SS..Hα-helixtrans-64.7-38.1177.9-71.4175.5000112.4I354 R356 T362 F385I354-L358 HydrophobicContact CG2-CD1 4.06Å; I354-L358 HydrophobicContact CG2-CG 4.48Å; I354-L358 WeakPolarHBondContact O-CB 3.37Å; I354-L358 WeakPolarHBondContact O-CG 3.37Å; I354-L358 PolarHBondContact O-N 2.88Å; R356-L358 PolarHBondContact O-N 2.79Å; L358-T362 WeakPolarHBondContact O-CB 3.3Å; L358-T362 PolarHBondContact O-N 3.24Å; L358-T362 PolarHBondContact O-OG1 2.94Å; L358-F385 HydrophobicContact CB-CE2 3.91Å; L358-F385 HydrophobicContact CB-CZ 3.71Å
359Y95.4Very high92.7Very high1 Ų175.3 Ų75.30%0.00435%0.354CS..Hα-helixtrans-61.1-52.1174.3163.5-99.1000111.5Y345 Q346 L349 K355 R356 Y357 Y361 T362 L363 F385 F386 F414Y345-Y359 AromaticContact CE1-CE2 3.77Å; Y345-Y359 HydrophobicContact CE1-CE2 3.77Å; Q346-Y359 PolarHBondContact NE2-OH 2.79Å; L349-Y359 HydrophobicContact CD1-CD2 4.44Å; L349-Y359 HydrophobicContact CD2-CD1 3.74Å; L349-Y359 HydrophobicContact CD2-CD2 3.88Å; L349-Y359 HydrophobicContact CD2-CE1 4.25Å; L349-Y359 HydrophobicContact CD2-CE2 4.35Å; L349-Y359 HydrophobicContact CD2-CG 3.54Å; K355-Y359 VanDerWaalsContact O-CB 3.3Å; K355-Y359 WeakPolarHBondContact O-CB 3.46Å; K355-Y359 PolarHBondContact O-N 3.02Å; R356-Y359 WeakPolarHBondContact O-CB 3.08Å; R356-Y359 PolarHBondContact O-N 2.66Å; Y357-Y359 VanDerWaalsContact C-N 3.35Å; Y357-Y359 PolarHBondContact O-N 2.94Å; Y359-Y361 VanDerWaalsContact C-N 3.32Å; Y359-Y361 PolarHBondContact O-N 3.36Å; Y359-T362 WeakPolarHBondContact O-CB 3.49Å; Y359-T362 PolarHBondContact O-N 2.97Å; Y359-T362 VanDerWaalsContact O-N 3.09Å; Y359-L363 HydrophobicContact CE1-CD1 4.32Å; Y359-L363 PolarHBondContact O-N 2.94Å; Y359-L363 WeakPolarHBondContact OH-CD1 3.47Å; Y359-F385 HydrophobicContact CD2-CB 4.46Å; Y359-F385 HydrophobicContact CD2-CD1 4.13Å; Y359-F385 HydrophobicContact CD2-CG 4.31Å; Y359-F386 AromaticContact CE2-CE1 3.9Å; Y359-F386 HydrophobicContact CE2-CE1 3.9Å; Y359-F386 HydrophobicContact CE2-CZ 4.15Å; Y359-F414 HydrophobicContact CE2-CE2 4.48Å; Y359-F414 VanDerWaalsContact OH-CD2 3.29Å; Y359-F414 WeakPolarHBondContact OH-CD2 3.45Å; Y359-F414 WeakPolarHBondContact OH-CE2 2.98Å
360E94.3Very high92.8Very high62 Ų6274.9 Ų74.929%0.2935%0.352SS..Hα-helixtrans-62.1-40.5179.5-67.5-61.6160.200111.5R356 Y357 T362 L363 K364R356-E360 HydrophobicContact CG-CG 4.49Å; R356-E360 IonicContact CZ-OE1 3.64Å; R356-E360 VanDerWaalsContact CZ-OE1 3.27Å; R356-E360 IonicContact NE-OE1 3.78Å; R356-E360 PolarHBondContact NE-OE1 2.95Å; R356-E360 VanDerWaalsContact NE-OE1 3.14Å; R356-E360 IonicContact NH2-OE1 2.7Å; R356-E360 PolarHBondContact NH2-OE1 2.91Å; R356-E360 WeakPolarHBondContact O-CG 3.03Å; R356-E360 PolarHBondContact O-N 2.8Å; Y357-E360 PolarHBondContact O-N 3.45Å; E360-T362 VanDerWaalsContact C-N 3.34Å; E360-L363 PolarHBondContact O-N 2.81Å; E360-K364 WeakPolarHBondContact O-CB 3.11Å; E360-K364 WeakPolarHBondContact O-CG 3.49Å; E360-K364 PolarHBondContact O-N 3.15Å
361Y95.4Very high93.1Very high115 Ų11577.9 Ų77.945%0.45136%0.362SS..Hα-helixtrans-58.5-46.7172.3172.6-95.5000111.4Y357 Y359 R365 L381Y357-Y361 VanDerWaalsContact O-CB 3.32Å; Y357-Y361 WeakPolarHBondContact O-CB 3.43Å; Y357-Y361 PolarHBondContact O-N 2.72Å; Y359-Y361 VanDerWaalsContact C-N 3.32Å; Y359-Y361 PolarHBondContact O-N 3.36Å; Y361-R365 VanDerWaalsContact O-CB 3.22Å; Y361-R365 WeakPolarHBondContact O-CB 3.27Å; Y361-R365 PolarHBondContact O-N 2.82Å; Y361-L381 HydrophobicContact CD1-CD1 4.11Å; Y361-L381 HydrophobicContact CE1-CD1 4.06Å
362T95.2Very high93.3Very high0 Ų073.5 Ų73.50%034%0.344CS..Hα-helixtrans-64.7-44.2-179.4-54.20000111.2L358 Y359 E360 R365 N366 L381 F385 F386L358-T362 WeakPolarHBondContact O-CB 3.3Å; L358-T362 PolarHBondContact O-N 3.24Å; L358-T362 PolarHBondContact O-OG1 2.94Å; Y359-T362 WeakPolarHBondContact O-CB 3.49Å; Y359-T362 PolarHBondContact O-N 2.97Å; Y359-T362 VanDerWaalsContact O-N 3.09Å; E360-T362 VanDerWaalsContact C-N 3.34Å; T362-R365 PolarHBondContact O-N 2.82Å; T362-N366 WeakPolarHBondContact O-CB 3.5Å; T362-N366 PolarHBondContact O-N 2.77Å; T362-L381 HydrophobicContact CG2-CB 3.87Å; T362-L381 WeakPolarHBondContact OG1-CB 3.46Å; T362-F385 HydrophobicContact CG2-CD2 4.19Å; T362-F386 HydrophobicContact CG2-CE2 3.95Å
363L94.5Very high93.1Very high20 Ų2071.7 Ų71.711%0.10534%0.336CS..Hα-helixtrans-59.2-52.7177-174.1153.8000111.1Y359 E360 R365 N366 L367 F414 A417Y359-L363 HydrophobicContact CE1-CD1 4.32Å; Y359-L363 PolarHBondContact O-N 2.94Å; Y359-L363 WeakPolarHBondContact OH-CD1 3.47Å; E360-L363 PolarHBondContact O-N 2.81Å; L363-R365 VanDerWaalsContact C-N 3.32Å; L363-R365 PolarHBondContact O-N 3.49Å; L363-N366 PolarHBondContact O-N 3.21Å; L363-L367 HydrophobicContact CD2-CD1 3.65Å; L363-L367 HydrophobicContact CD2-CG 4.41Å; L363-L367 WeakPolarHBondContact O-CG 3.47Å; L363-L367 PolarHBondContact O-N 3Å; L363-F414 HydrophobicContact CD1-CD2 4.18Å; L363-A417 HydrophobicContact CG-CB 3.96Å
364K94.5Very high93Very high144 Ų14469.8 Ų69.863%0.62633%0.327SS*.Hα-helixtrans-61.4-39.4178.5-71.9179.1-178.4-1790112.2E360 K368E360-K364 WeakPolarHBondContact O-CB 3.11Å; E360-K364 WeakPolarHBondContact O-CG 3.49Å; E360-K364 PolarHBondContact O-N 3.15Å; K364-K368 WeakPolarHBondContact O-CB 3.13Å; K364-K368 PolarHBondContact O-N 2.86Å
365R94Very high92.6Very high79 Ų7964.6 Ų64.630%0.29830%0.301SS..Hα-helixtrans-65-46.1176.7176.1169.5165.2-112.11111.7Y361 T362 L363 L367 K368 I369 D379Y361-R365 VanDerWaalsContact O-CB 3.22Å; Y361-R365 WeakPolarHBondContact O-CB 3.27Å; Y361-R365 PolarHBondContact O-N 2.82Å; T362-R365 PolarHBondContact O-N 2.82Å; L363-R365 VanDerWaalsContact C-N 3.32Å; L363-R365 PolarHBondContact O-N 3.49Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 2.87Å; R365-K368 PolarHBondContact O-N 2.87Å; R365-I369 HydrophobicContact CG-CD1 3.98Å; R365-I369 WeakPolarHBondContact O-CG1 3.49Å; R365-I369 PolarHBondContact O-N 3Å; R365-D379 IonicContact CZ-OD2 3.27Å; R365-D379 IonicContact NH1-OD1 3.14Å; R365-D379 PolarHBondContact NH1-OD1 3.47Å; R365-D379 VanDerWaalsContact NH1-OD1 3.14Å; R365-D379 IonicContact NH1-OD2 3.14Å; R365-D379 PolarHBondContact NH1-OD2 3.06Å; R365-D379 IonicContact NH2-OD2 2.77Å; R365-D379 PolarHBondContact NH2-OD2 3.28Å
366N93.9Very high91.9Very high1 Ų161.7 Ų61.71%0.00529%0.289CS..Hα-helixtrans-59.7-44.8176.9-827000111.1T362 L363 K368 I369 L370 N376 D382 A417T362-N366 WeakPolarHBondContact O-CB 3.5Å; T362-N366 PolarHBondContact O-N 2.77Å; L363-N366 PolarHBondContact O-N 3.21Å; N366-K368 PolarHBondContact O-N 3.2Å; N366-I369 PolarHBondContact O-N 3.33Å; N366-L370 WeakPolarHBondContact O-CG 3.49Å; N366-L370 PolarHBondContact O-N 3.23Å; N366-N376 PolarHBondContact OD1-ND2 3.1Å; N366-N376 VanDerWaalsContact OD1-ND2 3.15Å; N366-D382 PolarHBondContact ND2-OD2 2.76Å; N366-A417 HydrophobicContact CB-CB 4.03Å; N366-A417 PolarHBondContact ND2-O 2.62Å
367L93.7Very high90.6Very high21 Ų2161 Ų6111%0.1129%0.289CS..Hα-helixtrans-60-43.8174.6-69.9173.7000112.5L363 R365 I369 L370 N371 N413 R416 A417L363-L367 HydrophobicContact CD2-CD1 3.65Å; L363-L367 HydrophobicContact CD2-CG 4.41Å; L363-L367 WeakPolarHBondContact O-CG 3.47Å; L363-L367 PolarHBondContact O-N 3Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 2.87Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 2.82Å; L367-L370 PolarHBondContact O-N 3.44Å; L367-N371 WeakPolarHBondContact O-CB 3.09Å; L367-N371 PolarHBondContact O-N 2.78Å; L367-N413 HydrophobicContact CD1-CB 3.88Å; L367-N413 HydrophobicContact CD2-CB 4.27Å; L367-R416 HydrophobicContact CD2-CB 4.09Å; L367-A417 HydrophobicContact CD2-CB 4.1Å; L367-A417 HydrophobicContact CG-CB 4.03Å
368K93.2Very high89.5Confident166 Ų16661.3 Ų61.372%0.72230%0.295SS*.Hα-helixtrans-61.2-40.2177.5-174.7176.3-180176.70112.2K364 R365 N366 S372K364-K368 WeakPolarHBondContact O-CB 3.13Å; K364-K368 PolarHBondContact O-N 2.86Å; R365-K368 PolarHBondContact O-N 2.87Å; N366-K368 PolarHBondContact O-N 3.2Å; K368-S372 PolarHBondContact O-N 2.88Å
369I91.7Very high89Confident37 Ų3759.6 Ų59.619%0.1929%0.287CS..Hα-helixtrans-65-48.1176.3-67.3166.8000110R365 N366 L367 N371 S372 K374 N376R365-I369 HydrophobicContact CG-CD1 3.98Å; R365-I369 WeakPolarHBondContact O-CG1 3.49Å; R365-I369 PolarHBondContact O-N 3Å; N366-I369 PolarHBondContact O-N 3.33Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 2.82Å; I369-N371 PolarHBondContact O-N 2.97Å; I369-S372 WeakPolarHBondContact O-CB 3.48Å; I369-S372 PolarHBondContact O-N 3.47Å; I369-S372 PolarHBondContact O-OG 2.88Å; I369-K374 CarbonylContact C-O 3.51Å; I369-K374 HydrophobicContact CG2-CB 3.93Å; I369-K374 WeakPolarHBondContact CG2-O 3.43Å; I369-K374 PolarHBondContact O-N 2.77Å; I369-N376 HydrophobicContact CD1-CB 4.29Å; I369-N376 HydrophobicContact CG2-CB 4.28Å
370L91.8Very high88.7Confident5 Ų566.3 Ų66.33%0.02632%0.321CS..Hα-helixtrans-60.6-45.4178.8-70.4169.1000112.3F27 N366 L367 S372 G373 K374 I375 R416 N420F27-L370 HydrophobicContact CZ-CD2 4.37Å; N366-L370 WeakPolarHBondContact O-CG 3.49Å; N366-L370 PolarHBondContact O-N 3.23Å; L367-L370 PolarHBondContact O-N 3.44Å; L370-S372 PolarHBondContact O-N 2.75Å; L370-G373 WeakPolarHBondContact O-CA 3.46Å; L370-G373 PolarHBondContact O-N 2.84Å; L370-K374 WeakPolarHBondContact CA-O 3.37Å; L370-I375 HydrophobicContact CD2-CG1 4.49Å; L370-R416 HydrophobicContact CD1-CB 4.41Å; L370-R416 VanDerWaalsContact CD1-O 3.27Å; L370-R416 WeakPolarHBondContact CD1-O 3.19Å; L370-N420 VanDerWaalsContact CD2-C 3.5Å
371N91.2Very high88.6Confident91 Ų9165.4 Ų65.449%0.48732%0.318SS..Hα-helixtrans-67.6-13.9177.9-66.9-7.7000112.8L367 I369 G373 R416 S444L367-N371 WeakPolarHBondContact O-CB 3.09Å; L367-N371 PolarHBondContact O-N 2.78Å; I369-N371 PolarHBondContact O-N 2.97Å; N371-G373 VanDerWaalsContact C-N 3.27Å; N371-R416 PolarHBondContact OD1-NH1 2.9Å; N371-R416 PolarHBondContact OD1-NH2 2.87Å; N371-R416 VanDerWaalsContact OD1-NH2 3.09Å; N371-S444 VanDerWaalsContact OD1-CB 3.28Å; N371-S444 WeakPolarHBondContact OD1-CB 2.86Å
372S89.6Confident88.5Confident72 Ų7260.1 Ų60.150%0.50330%0.298SS..THydrogen-bonded Turntrans-87.18.1169.376.20000113.7K368 I369 L370 K374K368-S372 PolarHBondContact O-N 2.88Å; I369-S372 WeakPolarHBondContact O-CB 3.48Å; I369-S372 PolarHBondContact O-N 3.47Å; I369-S372 PolarHBondContact O-OG 2.88Å; L370-S372 PolarHBondContact O-N 2.75Å; S372-K374 VanDerWaalsContact C-N 3.33Å
373G87.4Confident88.3Confident31 Ų3163 Ų6332%0.3232%0.315SS..THydrogen-bonded Turntrans73.921-178.500000113.8N9 F27 L370 N371N9-G373 PolarHBondContact ND2-O 2.6Å; F27-G373 VanDerWaalsContact CE2-C 3.43Å; F27-G373 VanDerWaalsContact CE2-O 3.25Å; F27-G373 WeakPolarHBondContact CE2-O 3.25Å; L370-G373 WeakPolarHBondContact O-CA 3.46Å; L370-G373 PolarHBondContact O-N 2.84Å; N371-G373 VanDerWaalsContact C-N 3.27Å
374K87.6Confident88.3Confident132 Ų13267.3 Ų67.357%0.57434%0.338SS*.  trans-118.1148.7-177.2-66-180-178.1178.90110.8I369 L370 S372I369-K374 CarbonylContact C-O 3.51Å; I369-K374 HydrophobicContact CG2-CB 3.93Å; I369-K374 WeakPolarHBondContact CG2-O 3.43Å; I369-K374 PolarHBondContact O-N 2.77Å; L370-K374 WeakPolarHBondContact CA-O 3.37Å; S372-K374 VanDerWaalsContact C-N 3.33Å
375I85.9Confident88.3Confident12 Ų1261 Ų616%0.06231%0.31CS..  trans-102.8135.3172.5-70.5153.8000110N9 P11 F26 F27 L370 H377 N420N9-I375 WeakPolarHBondContact O-CD1 3.49Å; N9-I375 PolarHBondContact OD1-N 2.98Å; P11-I375 HydrophobicContact CB-CG2 4.38Å; P11-I375 VanDerWaalsContact CD-CD1 3.46Å; P11-I375 HydrophobicContact CG-CD1 3.73Å; P11-I375 HydrophobicContact CG-CG1 4.39Å; P11-I375 HydrophobicContact CG-CG2 4.29Å; F26-I375 HydrophobicContact CB-CD1 3.87Å; F26-I375 HydrophobicContact CD1-CD1 4.27Å; F26-I375 HydrophobicContact CG-CD1 4.31Å; F27-I375 HydrophobicContact CE2-CD1 3.84Å; F27-I375 HydrophobicContact CE2-CG1 3.75Å; F27-I375 HydrophobicContact CZ-CD1 4.49Å; F27-I375 HydrophobicContact CZ-CG1 4.04Å; L370-I375 HydrophobicContact CD2-CG1 4.49Å; I375-H377 PolarHBondContact O-CD2 2.73Å; I375-H377 VanDerWaalsContact O-CD2 3.31Å; I375-N420 HydrophobicContact CG2-CB 4.24Å
376N77Confident88.3Confident22 Ų2257.2 Ų57.212%0.11830%0.296CS..  trans-81123.3177.7-168.97000110.3N366 I369 D379N366-N376 PolarHBondContact OD1-ND2 3.1Å; N366-N376 VanDerWaalsContact OD1-ND2 3.15Å; I369-N376 HydrophobicContact CD1-CB 4.29Å; I369-N376 HydrophobicContact CG2-CB 4.28Å; N376-D379 VanDerWaalsContact ND2-CB 3.28Å; N376-D379 WeakPolarHBondContact ND2-CB 3.32Å; N376-D379 WeakPolarHBondContact OD1-CB 3.28Å
377H67.8Low88.3Confident61 Ų6162.8 Ų62.828%0.28232%0.32SS..  trans-113129.4178.1-68.7-83.7000109.7Y10 D12 I375 D379Y10-H377 PolarHBondContact O-CE1 3.48Å; D12-H377 IonicContact OD1-CE1 3.27Å; D12-H377 PolarHBondContact OD1-CE1 3.47Å; D12-H377 VanDerWaalsContact OD1-CE1 3.3Å; D12-H377 IonicContact OD1-ND1 3.81Å; D12-H377 PolarHBondContact OD1-ND1 2.92Å; D12-H377 IonicContact OD2-CE1 2.82Å; D12-H377 IonicContact OD2-CG 2.72Å; D12-H377 IonicContact OD2-ND1 2.75Å; D12-H377 PolarHBondContact OD2-ND1 3.12Å; I375-H377 PolarHBondContact O-CD2 2.73Å; I375-H377 VanDerWaalsContact O-CD2 3.31Å; H377-D379 VanDerWaalsContact C-N 3.32Å; H377-D379 PolarHBondContact O-N 2.75Å
378H70.7Confident88.3Confident154 Ų15470.4 Ų70.471%0.71335%0.353SS*.SBendtrans59.132.9166.6-52.590.9000116.1D12D12-H378 IonicContact OD2-CE1 3.86Å; D12-H378 PolarHBondContact OD2-CE1 3.34Å; D12-H378 IonicContact OD2-ND1 3.97Å; D12-H378 IonicContact OD2-NE2 2.88Å
379D83.2Confident88.4Confident25 Ų2563.1 Ų63.113%0.13432%0.321CS..  trans-77.3134.5174.2-176.2-98.3000112R365 N376 H377 L381 D382 T383R365-D379 IonicContact CZ-OD2 3.27Å; R365-D379 IonicContact NH1-OD1 3.14Å; R365-D379 PolarHBondContact NH1-OD1 3.47Å; R365-D379 VanDerWaalsContact NH1-OD1 3.14Å; R365-D379 IonicContact NH1-OD2 3.14Å; R365-D379 PolarHBondContact NH1-OD2 3.06Å; R365-D379 IonicContact NH2-OD2 2.77Å; R365-D379 PolarHBondContact NH2-OD2 3.28Å; N376-D379 VanDerWaalsContact ND2-CB 3.28Å; N376-D379 WeakPolarHBondContact ND2-CB 3.32Å; N376-D379 WeakPolarHBondContact OD1-CB 3.28Å; H377-D379 VanDerWaalsContact C-N 3.32Å; H377-D379 PolarHBondContact O-N 2.75Å; D379-L381 PolarHBondContact O-N 3.06Å; D379-L381 WeakPolarHBondContact OD1-CA 3.29Å; D379-L381 WeakPolarHBondContact OD1-CB 3.44Å; D379-L381 PolarHBondContact OD1-N 3.1Å; D379-D382 HydrophobicContact CB-CB 3.84Å; D379-D382 PolarHBondContact O-N 2.89Å; D379-D382 PolarHBondContact OD1-N 2.94Å; D379-T383 VanDerWaalsContact O-CB 3.31Å; D379-T383 WeakPolarHBondContact O-CB 3.2Å; D379-T383 PolarHBondContact O-N 2.94Å; D379-T383 PolarHBondContact O-OG1 2.83Å
380I89.8Confident88.5Confident142 Ų14263.8 Ų63.873%0.72832%0.321SS*.Hα-helixtrans-65-41.4-176.4-62.3173.9000110.8T383 L384I380-T383 PolarHBondContact O-N 3.09Å; I380-L384 VanDerWaalsContact O-CB 3.3Å; I380-L384 WeakPolarHBondContact O-CB 3.48Å; I380-L384 PolarHBondContact O-N 3.1Å
381L91.9Very high88.7Confident43 Ų4368.1 Ų68.123%0.22534%0.342CS..Hα-helixtrans-72.9-41.7-179.5-64177.8000111.2Y361 T362 D379 T383 L384 F385Y361-L381 HydrophobicContact CD1-CD1 4.11Å; Y361-L381 HydrophobicContact CE1-CD1 4.06Å; T362-L381 HydrophobicContact CG2-CB 3.87Å; T362-L381 WeakPolarHBondContact OG1-CB 3.46Å; D379-L381 PolarHBondContact O-N 3.06Å; D379-L381 WeakPolarHBondContact OD1-CA 3.29Å; D379-L381 WeakPolarHBondContact OD1-CB 3.44Å; D379-L381 PolarHBondContact OD1-N 3.1Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 3.49Å; L381-L384 HydrophobicContact CD2-CD2 4.48Å; L381-L384 WeakPolarHBondContact O-CB 3.49Å; L381-L384 PolarHBondContact O-N 3.13Å; L381-F385 HydrophobicContact CD2-CE2 4.47Å; L381-F385 VanDerWaalsContact O-CD2 3.26Å; L381-F385 WeakPolarHBondContact O-CD2 3.29Å; L381-F385 PolarHBondContact O-N 3.13Å
382D93.5Very high88.8Confident5 Ų565.4 Ų65.43%0.02733%0.332CS..Hα-helixtrans-54.3-48.7171.1179-94.2000110.9N366 D379 L384 F385 F386 R390N366-D382 PolarHBondContact ND2-OD2 2.76Å; D379-D382 HydrophobicContact CB-CB 3.84Å; D379-D382 PolarHBondContact O-N 2.89Å; D379-D382 PolarHBondContact OD1-N 2.94Å; D382-L384 VanDerWaalsContact C-N 3.34Å; D382-L384 PolarHBondContact O-N 3.23Å; D382-F385 PolarHBondContact O-N 3.01Å; D382-F386 WeakPolarHBondContact O-CB 3.29Å; D382-F386 PolarHBondContact O-N 2.84Å; D382-F386 WeakPolarHBondContact OD2-CD2 3.4Å; D382-R390 IonicContact OD1-CZ 2.88Å; D382-R390 IonicContact OD1-NH1 2.66Å; D382-R390 PolarHBondContact OD1-NH1 3.18Å; D382-R390 IonicContact OD1-NH2 3.99Å; D382-R390 PolarHBondContact OD1-NH2 3.29Å; D382-R390 VanDerWaalsContact OD1-NH2 3.12Å; D382-R390 IonicContact OD2-CZ 3.28Å; D382-R390 IonicContact OD2-NH1 3.19Å; D382-R390 IonicContact OD2-NH2 2.69Å; D382-R390 PolarHBondContact OD2-NH2 2.76Å
383T92.2Very high89.1Confident59 Ų5962 Ų6236%0.36231%0.308SS..Hα-helixtrans-62.2-43179-58.50000111.1D379 I380 L381 K387D379-T383 VanDerWaalsContact O-CB 3.31Å; D379-T383 WeakPolarHBondContact O-CB 3.2Å; D379-T383 PolarHBondContact O-N 2.94Å; D379-T383 PolarHBondContact O-OG1 2.83Å; I380-T383 PolarHBondContact O-N 3.09Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 3.49Å; T383-K387 HydrophobicContact CG2-CB 4.18Å; T383-K387 HydrophobicContact CG2-CD 3.79Å; T383-K387 WeakPolarHBondContact O-CB 3.3Å; T383-K387 PolarHBondContact O-N 3.2Å
384L93.4Very high89.5Confident112 Ų11260.7 Ų60.759%0.58630%0.295SS*.Hα-helixtrans-61.3-45.1179.4178.964.1000112.1I380 L381 D382I380-L384 VanDerWaalsContact O-CB 3.3Å; I380-L384 WeakPolarHBondContact O-CB 3.48Å; I380-L384 PolarHBondContact O-N 3.1Å; L381-L384 HydrophobicContact CD2-CD2 4.48Å; L381-L384 WeakPolarHBondContact O-CB 3.49Å; L381-L384 PolarHBondContact O-N 3.13Å; D382-L384 VanDerWaalsContact C-N 3.34Å; D382-L384 PolarHBondContact O-N 3.23Å
385F94.6Very high89.8Confident11 Ų1155.7 Ų55.75%0.04828%0.28CS..Hα-helixtrans-88.9-40.2-173.4-71.8-64.9000113.7Y345 L349 K355 L358 Y359 T362 L381 D382Y345-F385 WeakPolarHBondContact CE2-O 3.21Å; Y345-F385 PolarHBondContact OH-O 3.45Å; L349-F385 HydrophobicContact CD1-CD1 3.88Å; L349-F385 HydrophobicContact CD1-CE1 4.11Å; K355-F385 HydrophobicContact CG-CE1 3.99Å; L358-F385 HydrophobicContact CB-CE2 3.91Å; L358-F385 HydrophobicContact CB-CZ 3.71Å; Y359-F385 HydrophobicContact CD2-CB 4.46Å; Y359-F385 HydrophobicContact CD2-CD1 4.13Å; Y359-F385 HydrophobicContact CD2-CG 4.31Å; T362-F385 HydrophobicContact CG2-CD2 4.19Å; L381-F385 HydrophobicContact CD2-CE2 4.47Å; L381-F385 VanDerWaalsContact O-CD2 3.26Å; L381-F385 WeakPolarHBondContact O-CD2 3.29Å; L381-F385 PolarHBondContact O-N 3.13Å; D382-F385 PolarHBondContact O-N 3.01Å
386F94.9Very high90.3Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-107.6-16.6-167.8-56.5-59.6000114.5Y359 T362 D382 K388 L389 R390 F414 A418Y359-F386 AromaticContact CE2-CE1 3.9Å; Y359-F386 HydrophobicContact CE2-CE1 3.9Å; Y359-F386 HydrophobicContact CE2-CZ 4.15Å; T362-F386 HydrophobicContact CG2-CE2 3.95Å; D382-F386 WeakPolarHBondContact O-CB 3.29Å; D382-F386 PolarHBondContact O-N 2.84Å; D382-F386 WeakPolarHBondContact OD2-CD2 3.4Å; F386-K388 PolarHBondContact O-N 2.84Å; F386-L389 WeakPolarHBondContact O-CB 3.38Å; F386-L389 PolarHBondContact O-N 2.85Å; F386-R390 WeakPolarHBondContact O-CG 3.49Å; F386-R390 PolarHBondContact O-N 2.99Å; F386-F414 HydrophobicContact CE1-CE2 4.28Å; F386-A418 HydrophobicContact CD1-CB 3.49Å; F386-A418 VanDerWaalsContact CD1-CB 3.49Å; F386-A418 HydrophobicContact CE1-CB 3.76Å; F386-A418 HydrophobicContact CG-CB 4.05Å
387K93.5Very high91.3Very high118 Ų11858.4 Ų58.451%0.51329%0.289SS..Hα-helixtrans-56.9-46.7179.8-178.5177.3174.8179.20112.1T383 L389 R390 Q391T383-K387 HydrophobicContact CG2-CB 4.18Å; T383-K387 HydrophobicContact CG2-CD 3.79Å; T383-K387 WeakPolarHBondContact O-CB 3.3Å; T383-K387 PolarHBondContact O-N 3.2Å; K387-L389 VanDerWaalsContact C-N 3.33Å; K387-L389 PolarHBondContact O-N 3.31Å; K387-R390 PolarHBondContact O-N 2.78Å; K387-Q391 HydrophobicContact CG-CG 4.21Å; K387-Q391 WeakPolarHBondContact O-CB 3.32Å; K387-Q391 VanDerWaalsContact O-CG 3.27Å; K387-Q391 WeakPolarHBondContact O-CG 3.39Å; K387-Q391 PolarHBondContact O-N 3.32Å
388K93.2Very high92.5Very high181 Ų18155.5 Ų55.579%0.78728%0.276SS*.Hα-helixtrans-62.2-40-179.5-71.1-171.4178.1-174.90112.3F386 Q391 A392F386-K388 PolarHBondContact O-N 2.84Å; K388-Q391 PolarHBondContact O-N 3.49Å; K388-A392 WeakPolarHBondContact O-CB 3.14Å; K388-A392 PolarHBondContact O-N 3.14Å
389L94.6Very high93.7Very high12 Ų1248.1 Ų48.16%0.06324%0.242CC..Hα-helixtrans-62.4-47.7175175.461.9000111.4I341 Y345 F386 K387 Q391 A392 L393 F414 A418 F419I341-L389 HydrophobicContact CG2-CD1 3.81Å; Y345-L389 HydrophobicContact CD2-CB 3.83Å; Y345-L389 HydrophobicContact CD2-CD1 4.06Å; Y345-L389 HydrophobicContact CD2-CD2 4Å; Y345-L389 HydrophobicContact CD2-CG 4.19Å; Y345-L389 HydrophobicContact CE2-CB 3.82Å; Y345-L389 HydrophobicContact CE2-CD2 4.17Å; Y345-L389 HydrophobicContact CE2-CG 4.5Å; Y345-L389 HydrophobicContact CG-CD1 4.5Å; Y345-L389 HydrophobicContact CG-CD2 4.35Å; F386-L389 WeakPolarHBondContact O-CB 3.38Å; F386-L389 PolarHBondContact O-N 2.85Å; K387-L389 VanDerWaalsContact C-N 3.33Å; K387-L389 PolarHBondContact O-N 3.31Å; L389-Q391 VanDerWaalsContact C-N 3.31Å; L389-Q391 PolarHBondContact O-N 3.07Å; L389-A392 PolarHBondContact O-N 2.85Å; L389-L393 PolarHBondContact O-N 3.2Å; L389-F414 HydrophobicContact CD2-CE1 3.93Å; L389-F414 HydrophobicContact CD2-CZ 3.58Å; L389-A418 HydrophobicContact CD2-CB 4.03Å; L389-F419 HydrophobicContact CD2-CE2 3.91Å; L389-F419 HydrophobicContact CD2-CZ 4.31Å; L389-F419 HydrophobicContact CG-CE2 4.16Å; L389-F419 HydrophobicContact CG-CZ 4.05Å
390R95.3Very high94.3Very high51 Ų5147 Ų4719%0.19224%0.235CC..Hα-helixtrans-60.5-40.9176.4-65.4176-170.5154.610.1111.5D382 F386 K387 L393 G395 A418 F419D382-R390 IonicContact OD1-CZ 2.88Å; D382-R390 IonicContact OD1-NH1 2.66Å; D382-R390 PolarHBondContact OD1-NH1 3.18Å; D382-R390 IonicContact OD1-NH2 3.99Å; D382-R390 PolarHBondContact OD1-NH2 3.29Å; D382-R390 VanDerWaalsContact OD1-NH2 3.12Å; D382-R390 IonicContact OD2-CZ 3.28Å; D382-R390 IonicContact OD2-NH1 3.19Å; D382-R390 IonicContact OD2-NH2 2.69Å; D382-R390 PolarHBondContact OD2-NH2 2.76Å; F386-R390 WeakPolarHBondContact O-CG 3.49Å; F386-R390 PolarHBondContact O-N 2.99Å; K387-R390 PolarHBondContact O-N 2.78Å; R390-L393 CarbonylContact O-C 3.59Å; R390-L393 PolarHBondContact O-N 2.83Å; R390-G395 VanDerWaalsContact O-CA 3.25Å; R390-G395 WeakPolarHBondContact O-CA 3.43Å; R390-G395 PolarHBondContact O-N 3.14Å; R390-A418 PolarHBondContact NE-O 2.93Å; R390-A418 PolarHBondContact NH2-O 2.83Å; R390-F419 HydrophobicContact CB-CE1 4.43Å; R390-F419 HydrophobicContact CG-CD1 4.15Å; R390-F419 HydrophobicContact CG-CE1 3.84Å; R390-F419 HydrophobicContact CG-CZ 4.26Å
391Q95Very high94.6Very high97 Ų9741.3 Ų41.345%0.45321%0.207SC..Hα-helixtrans-67.9-37178.1-69.6-57.5-39.600113K387 K388 L389 L393 G394K387-Q391 HydrophobicContact CG-CG 4.21Å; K387-Q391 WeakPolarHBondContact O-CB 3.32Å; K387-Q391 VanDerWaalsContact O-CG 3.27Å; K387-Q391 WeakPolarHBondContact O-CG 3.39Å; K387-Q391 PolarHBondContact O-N 3.32Å; K388-Q391 PolarHBondContact O-N 3.49Å; L389-Q391 VanDerWaalsContact C-N 3.31Å; L389-Q391 PolarHBondContact O-N 3.07Å; Q391-L393 PolarHBondContact O-N 3.22Å; Q391-L393 VanDerWaalsContact O-N 3.16Å; Q391-G394 WeakPolarHBondContact O-CA 3.15Å; Q391-G394 PolarHBondContact O-N 3.08Å
392A93.4Very high94.7Very high33 Ų3339.3 Ų39.327%0.27320%0.197SC..Hα-helixtrans-63-18.6174.300000113.1K388 L389K388-A392 WeakPolarHBondContact O-CB 3.14Å; K388-A392 PolarHBondContact O-N 3.14Å; L389-A392 PolarHBondContact O-N 2.85Å
393L95.7Very high94.5Very high0 Ų039.3 Ų39.30%020%0.198CC..THydrogen-bonded Turntrans-102.222.4171.3-60172.2000111.8L320 L331 I341 L389 R390 Q391 G395 V397 F419L320-L393 HydrophobicContact CD2-CD2 3.58Å; L331-L393 HydrophobicContact CD2-CD1 3.91Å; L331-L393 HydrophobicContact CD2-CD2 4.19Å; I341-L393 HydrophobicContact CD1-CD2 4.27Å; L389-L393 PolarHBondContact O-N 3.2Å; R390-L393 CarbonylContact O-C 3.59Å; R390-L393 PolarHBondContact O-N 2.83Å; Q391-L393 PolarHBondContact O-N 3.22Å; Q391-L393 VanDerWaalsContact O-N 3.16Å; L393-G395 PolarHBondContact O-N 3.08Å; L393-V397 HydrophobicContact CB-CG2 4.08Å; L393-F419 HydrophobicContact CD1-CE1 3.99Å; L393-F419 HydrophobicContact CD1-CZ 3.54Å
394G95.8Very high94Very high5 Ų539 Ų395%0.05221%0.207CC..THydrogen-bonded Turntrans84.6-1.117600000116.1A323 K327 Q391 R396A323-G394 VanDerWaalsContact O-CA 3.3Å; A323-G394 WeakPolarHBondContact O-CA 3.22Å; K327-G394 WeakPolarHBondContact CG-O 3.49Å; Q391-G394 WeakPolarHBondContact O-CA 3.15Å; Q391-G394 PolarHBondContact O-N 3.08Å; G394-R396 PolarHBondContact O-N 3.43Å; G394-R396 VanDerWaalsContact O-N 3.13Å
395G95.4Very high93.4Very high26 Ų2635.7 Ų35.727%0.26820%0.196SC..SBendtrans73.42169.800000116R390 L393R390-G395 VanDerWaalsContact O-CA 3.25Å; R390-G395 WeakPolarHBondContact O-CA 3.43Å; R390-G395 PolarHBondContact O-N 3.14Å; L393-G395 PolarHBondContact O-N 3.08Å
396R96.5Very high92.6Very high83 Ų8338.5 Ų38.531%0.31322%0.215SC..  trans-117.10.5-178.3-66.8-172.171.6-165.51.4114.5V13 I17 K327 P328 T329 G394 C398V13-R396 WeakPolarHBondContact CG2-O 3.38Å; I17-R396 HydrophobicContact CD1-CB 4.31Å; I17-R396 WeakPolarHBondContact CD1-O 3.4Å; K327-R396 HydrophobicContact CB-CG 4.24Å; P328-R396 CarbonylContact O-C 3.59Å; T329-R396 WeakPolarHBondContact CA-O 3.31Å; T329-R396 HydrophobicContact CG2-CB 4.36Å; G394-R396 PolarHBondContact O-N 3.43Å; G394-R396 VanDerWaalsContact O-N 3.13Å; R396-C398 PolarHBondContact O-N 3.04Å
397V96.6Very high92.1Very high8 Ų839.3 Ų39.35%0.04822%0.219CC..  trans-59.1112.9179.5177.80000109.8P328 T329 L331 L393 I400 F419P328-V397 HydrophobicContact CG-CG2 4.36Å; P328-V397 PolarHBondContact O-N 2.93Å; P328-V397 VanDerWaalsContact O-N 3.15Å; T329-V397 CarbonylContact O-C 3.57Å; T329-V397 WeakPolarHBondContact O-CA 3.11Å; L331-V397 HydrophobicContact CB-CG1 4.07Å; L331-V397 HydrophobicContact CB-CG2 4.29Å; L393-V397 HydrophobicContact CB-CG2 4.08Å; V397-I400 HydrophobicContact CG1-CG1 3.81Å; V397-F419 HydrophobicContact CB-CE1 4.46Å; V397-F419 HydrophobicContact CG1-CD1 4.41Å
398C94Very high91.6Very high0 Ų036 Ų360%021%0.211CC..  trans-107-6.1175.769.50000112.7V13 Y14 I17 H18 T329 R396 L422V13-C398 HydrophobicContact CG1-CB 4.19Å; Y14-C398 HydrophobicContact CD2-CB 4.11Å; I17-C398 HydrophobicContact CD1-CB 3.97Å; H18-C398 VanDerWaalsContact CE1-SG 3.56Å; T329-C398 PolarHBondContact O-N 3.29Å; T329-C398 PolarHBondContact O-SG 3.35Å; R396-C398 PolarHBondContact O-N 3.04Å; C398-L422 WeakPolarHBondContact O-CD2 3.29Å
399M95.1Very high91.1Very high0 Ų029.7 Ų29.70%019%0.19CC..EExtended strand (participates in β ladder)trans-156.9133.5169.5-160.9164.4-64.800111.1F26 T273 K276 L277 T329 V330 L331 V401 V424 L441F26-M399 HydrophobicContact CE2-CE 4.5Å; F26-M399 HydrophobicContact CZ-CE 4.3Å; T273-M399 HydrophobicContact CG2-SD 4.42Å; K276-M399 HydrophobicContact CB-CE 4.36Å; L277-M399 HydrophobicContact CB-SD 4.2Å; L277-M399 HydrophobicContact CD1-CB 4.14Å; L277-M399 HydrophobicContact CD1-CG 4Å; L277-M399 HydrophobicContact CD1-SD 3.37Å; L277-M399 WeakPolarHBondContact CD1-SD 3.43Å; L277-M399 HydrophobicContact CG-SD 4.38Å; T329-M399 PolarHBondContact O-N 2.78Å; V330-M399 CarbonylContact C-O 3.53Å; V330-M399 WeakPolarHBondContact CA-O 3.44Å; L331-M399 PolarHBondContact N-O 3.27Å; M399-V401 HydrophobicContact CG-CG2 4.15Å; M399-V401 HydrophobicContact SD-CG2 4.4Å; M399-V424 HydrophobicContact CG-CG2 4.21Å; M399-V424 HydrophobicContact SD-CG2 3.85Å; M399-L441 HydrophobicContact CE-CD1 4.28Å; M399-L441 HydrophobicContact CE-CD2 3.49Å; M399-L441 VanDerWaalsContact CE-CD2 3.49Å; M399-L441 HydrophobicContact SD-CD2 4.18Å
400I96.4Very high90.8Very high0 Ų034.5 Ų34.50%021%0.212CC..EExtended strand (participates in β ladder)trans-103.7124.4167.9-58.1175.7000106.7L331 L338 V397 F415 F419 L422 I423 V424L331-I400 HydrophobicContact CB-CG1 4.37Å; L331-I400 HydrophobicContact CD2-CG1 4.49Å; L331-I400 VanDerWaalsContact O-CA 3.32Å; L331-I400 WeakPolarHBondContact O-CA 3.44Å; L338-I400 HydrophobicContact CD2-CG2 4.07Å; V397-I400 HydrophobicContact CG1-CG1 3.81Å; I400-F415 HydrophobicContact CD1-CD1 3.66Å; I400-F415 HydrophobicContact CD1-CE1 4.35Å; I400-F415 HydrophobicContact CD1-CG 4.43Å; I400-F419 HydrophobicContact CD1-CB 4.31Å; I400-F419 HydrophobicContact CD1-CD1 4.02Å; I400-F419 HydrophobicContact CD1-CD2 3.73Å; I400-F419 HydrophobicContact CD1-CE1 4.31Å; I400-F419 HydrophobicContact CD1-CE2 4.05Å; I400-F419 HydrophobicContact CD1-CG 3.75Å; I400-F419 HydrophobicContact CD1-CZ 4.34Å; I400-L422 PolarHBondContact N-O 3.18Å; I400-I423 HydrophobicContact CB-CB 4.24Å; I400-I423 HydrophobicContact CB-CG1 4.22Å; I400-I423 HydrophobicContact CG2-CD1 4.33Å; I400-I423 HydrophobicContact CG2-CG1 4.25Å; I400-I423 CarbonylContact O-C 3.51Å; I400-I423 VanDerWaalsContact O-CA 3.28Å; I400-I423 WeakPolarHBondContact O-CA 3.32Å; I400-V424 PolarHBondContact O-N 2.88Å
401V95.8Very high90.4Very high23 Ų2332.7 Ų32.714%0.13921%0.206CC..EExtended strand (participates in β ladder)trans-113126177-179.20000108.3L277 M294 V330 L331 P332 A333 M399 V424L277-V401 HydrophobicContact CD1-CG2 3.52Å; M294-V401 HydrophobicContact CE-CG1 4.32Å; M294-V401 WeakPolarHBondContact CE-O 3.43Å; V330-V401 HydrophobicContact CG1-CG2 4.35Å; L331-V401 PolarHBondContact O-N 2.87Å; P332-V401 CarbonylContact C-O 3.6Å; P332-V401 VanDerWaalsContact CA-O 3.3Å; P332-V401 WeakPolarHBondContact CA-O 3.37Å; A333-V401 PolarHBondContact N-O 2.82Å; M399-V401 HydrophobicContact CG-CG2 4.15Å; M399-V401 HydrophobicContact SD-CG2 4.4Å; V401-V424 CarbonylContact C-O 3.51Å; V401-V424 WeakPolarHBondContact CA-O 3.45Å
402T94.6Very high90.2Very high1 Ų128.3 Ų28.31%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-132.4146.8-178.6-165.50000113.7A333 L338 L407 I423 V424 V425 G426A333-T402 WeakPolarHBondContact O-CA 3.31Å; A333-T402 WeakPolarHBondContact O-CB 3.49Å; A333-T402 PolarHBondContact O-OG1 2.8Å; L338-T402 HydrophobicContact CD1-CG2 4.09Å; T402-L407 HydrophobicContact CG2-CD2 3.92Å; T402-I423 HydrophobicContact CG2-CD1 4.27Å; T402-I423 HydrophobicContact CG2-CG1 4.44Å; T402-V424 PolarHBondContact N-O 3.19Å; T402-V425 HydrophobicContact CG2-CB 4.38Å; T402-V425 HydrophobicContact CG2-CG1 4.39Å; T402-V425 HydrophobicContact CG2-CG2 3.92Å; T402-V425 CarbonylContact O-C 3.55Å; T402-V425 WeakPolarHBondContact O-CA 3.28Å; T402-G426 PolarHBondContact O-N 2.87Å
403G89.6Confident90.2Very high6 Ų628.1 Ų28.16%0.06218%0.18CC..  trans-175.7-170.5-177.200000112P335 A405 G426P335-G403 WeakPolarHBondContact CD-O 3.2Å; G403-A405 PolarHBondContact O-N 3Å; G403-G426 VanDerWaalsContact CA-O 3.32Å; G403-G426 WeakPolarHBondContact CA-O 3.2Å
404G80.8Confident90.2Very high53 Ų5328.2 Ų28.255%0.54618%0.18SC..SBendtrans81.8-22.5-179.700000115K664G404-K664 WeakPolarHBondContact O-CE 3.45Å; G404-K664 PolarHBondContact O-NZ 3.41Å
405A80.9Confident90.2Very high42 Ų4228 Ų2835%0.34718%0.177SC..SBendtrans-149.1162.2171.800000110.6P335 G403P335-A405 HydrophobicContact CG-CB 4Å; P335-A405 VanDerWaalsContact CG-O 3.31Å; P335-A405 WeakPolarHBondContact CG-O 3.4Å; G403-A405 PolarHBondContact O-N 3Å
406P78.6Confident90.1Very high69 Ų6926.9 Ų26.945%0.44817%0.165SC..PPolyproline II helixtrans-59.6138.6175.3-24.435.1000112.4P335 L545P335-P406 WeakPolarHBondContact CG-O 3.16Å; P406-L545 HydrophobicContact CB-CD1 3.85Å; P406-L545 HydrophobicContact CG-CD1 4.21Å
407L84.4Confident90Very high18 Ų1823 Ų239%0.09415%0.151CC..PPolyproline II helixtrans-98.4128.5171.6-172.871.5000109.3P335 L338 T402 L411 F412 I423 V425P335-L407 HydrophobicContact CB-CD1 4.2Å; P335-L407 HydrophobicContact CG-CD1 4.38Å; L338-L407 HydrophobicContact CD1-CD1 3.9Å; T402-L407 HydrophobicContact CG2-CD2 3.92Å; L407-L411 HydrophobicContact CD1-CB 3.73Å; L407-L411 HydrophobicContact CD1-CD1 4.08Å; L407-L411 HydrophobicContact CG-CB 4.21Å; L407-F412 HydrophobicContact CD2-CB 3.77Å; L407-F412 HydrophobicContact CD2-CD2 4.01Å; L407-F412 HydrophobicContact CD2-CG 4.4Å; L407-F412 HydrophobicContact CG-CB 4.35Å; L407-I423 HydrophobicContact CD2-CD1 4.01Å; L407-V425 HydrophobicContact CD2-CG2 3.8Å
408S81.3Confident89.9Confident47 Ų4722.6 Ų22.633%0.32915%0.148SC..PPolyproline II helixtrans-68.2149176.373.20000111.4E410 L411 F412S408-E410 PolarHBondContact O-N 3.34Å; S408-L411 PolarHBondContact O-N 3.16Å; S408-L411 VanDerWaalsContact O-N 3.15Å; S408-L411 WeakPolarHBondContact OG-CG 3.43Å; S408-L411 PolarHBondContact OG-N 2.94Å; S408-F412 WeakPolarHBondContact O-CB 3.46Å; S408-F412 PolarHBondContact O-N 3.32Å
409S84.3Confident89.9Confident50 Ų5022.8 Ų22.835%0.3515%0.149SC..Hα-helixtrans-51.4-38.2173.2-68.90000113.2N413 E446S409-N413 VanDerWaalsContact O-CB 3.27Å; S409-N413 WeakPolarHBondContact O-CB 3.36Å; S409-N413 PolarHBondContact O-N 3.1Å; S409-N413 PolarHBondContact O-ND2 2.7Å; S409-E446 WeakPolarHBondContact CB-OE2 3.31Å; S409-E446 PolarHBondContact OG-OE2 2.88Å
410E86.5Confident89.6Confident112 Ų11223.7 Ų23.752%0.52315%0.154SC..Hα-helixtrans-63.7-49.1179.3-178179.2-164.100111.4Y342 S408 F414Y342-E410 HydrophobicContact CE1-CG 4.45Å; Y342-E410 VanDerWaalsContact CZ-OE1 3.31Å; Y342-E410 PolarHBondContact OH-OE1 2.94Å; S408-E410 PolarHBondContact O-N 3.34Å; E410-F414 WeakPolarHBondContact O-CB 3.44Å; E410-F414 PolarHBondContact O-N 3.42Å
411L88.2Confident89.1Confident13 Ų1323.9 Ų23.97%0.06816%0.156CC..Hα-helixtrans-65.8-44.6177.6-66.1178.2000110.7Y342 L407 S408 N413 F414 F415Y342-L411 VanDerWaalsContact CB-CD2 3.45Å; Y342-L411 HydrophobicContact CD1-CD2 3.77Å; Y342-L411 HydrophobicContact CD2-CD2 4.07Å; Y342-L411 HydrophobicContact CG-CD2 3.49Å; Y342-L411 VanDerWaalsContact CG-CD2 3.49Å; L407-L411 HydrophobicContact CD1-CB 3.73Å; L407-L411 HydrophobicContact CD1-CD1 4.08Å; L407-L411 HydrophobicContact CG-CB 4.21Å; S408-L411 PolarHBondContact O-N 3.16Å; S408-L411 VanDerWaalsContact O-N 3.15Å; S408-L411 WeakPolarHBondContact OG-CG 3.43Å; S408-L411 PolarHBondContact OG-N 2.94Å; L411-N413 PolarHBondContact O-N 3.02Å; L411-F414 PolarHBondContact O-N 3.08Å; L411-F415 HydrophobicContact CB-CD2 4.48Å; L411-F415 HydrophobicContact CD2-CE2 4.35Å; L411-F415 VanDerWaalsContact O-CD2 3.25Å; L411-F415 WeakPolarHBondContact O-CD2 3.05Å; L411-F415 PolarHBondContact O-N 3.37Å
412F91.2Very high88.8Confident6 Ų623 Ų233%0.02615%0.151CC..Hα-helixtrans-54.1-54176.6179.2-108.5000111.6L407 S408 F415 R416 V425 E446L407-F412 HydrophobicContact CD2-CB 3.77Å; L407-F412 HydrophobicContact CD2-CD2 4.01Å; L407-F412 HydrophobicContact CD2-CG 4.4Å; L407-F412 HydrophobicContact CG-CB 4.35Å; S408-F412 WeakPolarHBondContact O-CB 3.46Å; S408-F412 PolarHBondContact O-N 3.32Å; F412-F415 PolarHBondContact O-N 3.49Å; F412-R416 HydrophobicContact CE2-CG 4.36Å; F412-R416 HydrophobicContact CZ-CG 4.38Å; F412-R416 WeakPolarHBondContact O-CB 3.3Å; F412-R416 VanDerWaalsContact O-CG 3.3Å; F412-R416 WeakPolarHBondContact O-CG 3.43Å; F412-R416 PolarHBondContact O-N 2.89Å; F412-V425 HydrophobicContact CD2-CG2 3.9Å; F412-V425 HydrophobicContact CE2-CG2 4.01Å; F412-E446 HydrophobicContact CD1-CG 4.04Å; F412-E446 HydrophobicContact CE1-CG 4.31Å
413N93.4Very high88.8Confident28 Ų2823.4 Ų23.415%0.1515%0.153CC..Hα-helixtrans-65.3-41.2179.9-78.6-28.8000112.7L367 S409 L411 R416 A417 E446L367-N413 HydrophobicContact CD1-CB 3.88Å; L367-N413 HydrophobicContact CD2-CB 4.27Å; S409-N413 VanDerWaalsContact O-CB 3.27Å; S409-N413 WeakPolarHBondContact O-CB 3.36Å; S409-N413 PolarHBondContact O-N 3.1Å; S409-N413 PolarHBondContact O-ND2 2.7Å; L411-N413 PolarHBondContact O-N 3.02Å; N413-R416 PolarHBondContact O-N 3.07Å; N413-A417 VanDerWaalsContact O-CB 3.28Å; N413-A417 WeakPolarHBondContact O-CB 3.36Å; N413-A417 PolarHBondContact O-N 2.92Å; N413-E446 PolarHBondContact ND2-OE1 3.21Å
414F95.2Very high89Confident2 Ų223.3 Ų23.31%0.00915%0.151CC..Hα-helixtrans-58.6-52.2175.9171.1-98.8000111.4Y342 Y345 Y359 L363 F386 L389 E410 L411 A417 A418Y342-F414 HydrophobicContact CD2-CB 4.08Å; Y342-F414 AromaticContact CD2-CD1 3.51Å; Y342-F414 HydrophobicContact CD2-CD1 3.51Å; Y342-F414 AromaticContact CD2-CD2 3.81Å; Y342-F414 HydrophobicContact CD2-CD2 3.81Å; Y342-F414 AromaticContact CD2-CE1 3.78Å; Y342-F414 HydrophobicContact CD2-CE1 3.78Å; Y342-F414 HydrophobicContact CD2-CE2 4.06Å; Y342-F414 AromaticContact CD2-CG 3.5Å; Y342-F414 HydrophobicContact CD2-CG 3.5Å; Y342-F414 HydrophobicContact CD2-CZ 4.03Å; Y342-F414 HydrophobicContact CE2-CB 3.92Å; Y342-F414 HydrophobicContact CE2-CD1 4.14Å; Y342-F414 AromaticContact CE2-CD2 3.65Å; Y342-F414 HydrophobicContact CE2-CD2 3.65Å; Y342-F414 HydrophobicContact CE2-CE2 4.15Å; Y342-F414 AromaticContact CE2-CG 3.62Å; Y342-F414 HydrophobicContact CE2-CG 3.62Å; Y345-F414 AromaticContact CD1-CE2 3.65Å; Y345-F414 HydrophobicContact CD1-CE2 3.65Å; Y345-F414 AromaticContact CD1-CZ 3.53Å; Y345-F414 HydrophobicContact CD1-CZ 3.53Å; Y345-F414 AromaticContact CE1-CE2 3.66Å; Y345-F414 HydrophobicContact CE1-CE2 3.66Å; Y345-F414 AromaticContact CE1-CZ 3.89Å; Y345-F414 HydrophobicContact CE1-CZ 3.89Å; Y345-F414 AromaticContact CG-CZ 4Å; Y345-F414 HydrophobicContact CG-CZ 4Å; Y359-F414 HydrophobicContact CE2-CE2 4.48Å; Y359-F414 VanDerWaalsContact OH-CD2 3.29Å; Y359-F414 WeakPolarHBondContact OH-CD2 3.45Å; Y359-F414 WeakPolarHBondContact OH-CE2 2.98Å; L363-F414 HydrophobicContact CD1-CD2 4.18Å; F386-F414 HydrophobicContact CE1-CE2 4.28Å; L389-F414 HydrophobicContact CD2-CE1 3.93Å; L389-F414 HydrophobicContact CD2-CZ 3.58Å; E410-F414 WeakPolarHBondContact O-CB 3.44Å; E410-F414 PolarHBondContact O-N 3.42Å; L411-F414 PolarHBondContact O-N 3.08Å; F414-A417 PolarHBondContact O-N 2.8Å; F414-A418 HydrophobicContact CE1-CB 4.47Å; F414-A418 HydrophobicContact CZ-CB 4.38Å; F414-A418 WeakPolarHBondContact O-CB 3.48Å; F414-A418 PolarHBondContact O-N 2.8Å
415F95.2Very high89.7Confident0 Ų021.2 Ų21.20%013%0.128CC..Hα-helixtrans-69.6-35.6-178.1-79.3-77.2000112.1L338 I341 I400 L411 F412 A418 F419 I423L338-F415 HydrophobicContact CB-CD2 4.29Å; L338-F415 HydrophobicContact CB-CE2 3.6Å; L338-F415 HydrophobicContact CB-CZ 3.98Å; L338-F415 HydrophobicContact CD1-CD2 4.4Å; L338-F415 HydrophobicContact CD1-CE2 4.47Å; L338-F415 HydrophobicContact CD2-CD1 4.37Å; L338-F415 HydrophobicContact CD2-CD2 4.36Å; L338-F415 HydrophobicContact CD2-CE1 3.91Å; L338-F415 HydrophobicContact CD2-CE2 3.95Å; L338-F415 HydrophobicContact CD2-CZ 3.7Å; L338-F415 HydrophobicContact CG-CE2 4.2Å; L338-F415 HydrophobicContact CG-CZ 4.39Å; I341-F415 HydrophobicContact CB-CZ 4.23Å; I341-F415 HydrophobicContact CG2-CE1 4.25Å; I341-F415 HydrophobicContact CG2-CZ 4.02Å; I400-F415 HydrophobicContact CD1-CD1 3.66Å; I400-F415 HydrophobicContact CD1-CE1 4.35Å; I400-F415 HydrophobicContact CD1-CG 4.43Å; L411-F415 HydrophobicContact CB-CD2 4.48Å; L411-F415 HydrophobicContact CD2-CE2 4.35Å; L411-F415 VanDerWaalsContact O-CD2 3.25Å; L411-F415 WeakPolarHBondContact O-CD2 3.05Å; L411-F415 PolarHBondContact O-N 3.37Å; F412-F415 PolarHBondContact O-N 3.49Å; F415-A418 PolarHBondContact O-N 2.67Å; F415-F419 AromaticContact CD1-CD2 3.82Å; F415-F419 HydrophobicContact CD1-CD2 3.82Å; F415-F419 AromaticContact CD1-CE2 3.69Å; F415-F419 HydrophobicContact CD1-CE2 3.69Å; F415-F419 HydrophobicContact CE1-CE2 4.01Å; F415-F419 WeakPolarHBondContact O-CB 3.25Å; F415-F419 PolarHBondContact O-N 3.25Å; F415-I423 HydrophobicContact CB-CD1 3.69Å; F415-I423 HydrophobicContact CG-CD1 4.38Å
416R93.8Very high90.4Very high4 Ų419.9 Ų19.92%0.01512%0.118CC..Hα-helixtrans-57.6-51.4169.9-76.7-176.973.4-136.71.8111.3L367 L370 N371 F412 N413 N420 G421 I423 E443 S444L367-R416 HydrophobicContact CD2-CB 4.09Å; L370-R416 HydrophobicContact CD1-CB 4.41Å; L370-R416 VanDerWaalsContact CD1-O 3.27Å; L370-R416 WeakPolarHBondContact CD1-O 3.19Å; N371-R416 PolarHBondContact OD1-NH1 2.9Å; N371-R416 PolarHBondContact OD1-NH2 2.87Å; N371-R416 VanDerWaalsContact OD1-NH2 3.09Å; F412-R416 HydrophobicContact CE2-CG 4.36Å; F412-R416 HydrophobicContact CZ-CG 4.38Å; F412-R416 WeakPolarHBondContact O-CB 3.3Å; F412-R416 VanDerWaalsContact O-CG 3.3Å; F412-R416 WeakPolarHBondContact O-CG 3.43Å; F412-R416 PolarHBondContact O-N 2.89Å; N413-R416 PolarHBondContact O-N 3.07Å; R416-N420 WeakPolarHBondContact O-CA 3.32Å; R416-N420 PolarHBondContact O-N 2.86Å; R416-G421 PolarHBondContact O-N 3.18Å; R416-I423 HydrophobicContact CB-CG2 4.25Å; R416-I423 HydrophobicContact CG-CG2 3.23Å; R416-E443 PolarHBondContact NE-O 2.8Å; R416-E443 PolarHBondContact NH2-O 3.09Å; R416-S444 VanDerWaalsContact CZ-CA 3.48Å; R416-S444 VanDerWaalsContact NH1-CA 3.35Å
417A93.7Very high91.2Very high0 Ų017.7 Ų17.70%010%0.101CC..Hα-helixtrans-65.2-43.5-179.500000112.4L363 N366 L367 N413 F414L363-A417 HydrophobicContact CG-CB 3.96Å; N366-A417 HydrophobicContact CB-CB 4.03Å; N366-A417 PolarHBondContact ND2-O 2.62Å; L367-A417 HydrophobicContact CD2-CB 4.1Å; L367-A417 HydrophobicContact CG-CB 4.03Å; N413-A417 VanDerWaalsContact O-CB 3.28Å; N413-A417 WeakPolarHBondContact O-CB 3.36Å; N413-A417 PolarHBondContact O-N 2.92Å; F414-A417 PolarHBondContact O-N 2.8Å
418A94.4Very high91.7Very high0 Ų018 Ų180%011%0.108CC..Hα-helixtrans-75-24-175.700000113F386 L389 R390 F414 F415F386-A418 HydrophobicContact CD1-CB 3.49Å; F386-A418 VanDerWaalsContact CD1-CB 3.49Å; F386-A418 HydrophobicContact CE1-CB 3.76Å; F386-A418 HydrophobicContact CG-CB 4.05Å; L389-A418 HydrophobicContact CD2-CB 4.03Å; R390-A418 PolarHBondContact NE-O 2.93Å; R390-A418 PolarHBondContact NH2-O 2.83Å; F414-A418 HydrophobicContact CE1-CB 4.47Å; F414-A418 HydrophobicContact CZ-CB 4.38Å; F414-A418 WeakPolarHBondContact O-CB 3.48Å; F414-A418 PolarHBondContact O-N 2.8Å; F415-A418 PolarHBondContact O-N 2.67Å
419F93.7Very high92.3Very high5 Ų516.9 Ų16.92%0.02210%0.101CC..THydrogen-bonded Turntrans-121.225.9-179.7-66.5-98.7000112.7L389 R390 L393 V397 I400 F415 G421 L422L389-F419 HydrophobicContact CD2-CE2 3.91Å; L389-F419 HydrophobicContact CD2-CZ 4.31Å; L389-F419 HydrophobicContact CG-CE2 4.16Å; L389-F419 HydrophobicContact CG-CZ 4.05Å; R390-F419 HydrophobicContact CB-CE1 4.43Å; R390-F419 HydrophobicContact CG-CD1 4.15Å; R390-F419 HydrophobicContact CG-CE1 3.84Å; R390-F419 HydrophobicContact CG-CZ 4.26Å; L393-F419 HydrophobicContact CD1-CE1 3.99Å; L393-F419 HydrophobicContact CD1-CZ 3.54Å; V397-F419 HydrophobicContact CB-CE1 4.46Å; V397-F419 HydrophobicContact CG1-CD1 4.41Å; I400-F419 HydrophobicContact CD1-CB 4.31Å; I400-F419 HydrophobicContact CD1-CD1 4.02Å; I400-F419 HydrophobicContact CD1-CD2 3.73Å; I400-F419 HydrophobicContact CD1-CE1 4.31Å; I400-F419 HydrophobicContact CD1-CE2 4.05Å; I400-F419 HydrophobicContact CD1-CG 3.75Å; I400-F419 HydrophobicContact CD1-CZ 4.34Å; F415-F419 AromaticContact CD1-CD2 3.82Å; F415-F419 HydrophobicContact CD1-CD2 3.82Å; F415-F419 AromaticContact CD1-CE2 3.69Å; F415-F419 HydrophobicContact CD1-CE2 3.69Å; F415-F419 HydrophobicContact CE1-CE2 4.01Å; F415-F419 WeakPolarHBondContact O-CB 3.25Å; F415-F419 PolarHBondContact O-N 3.25Å; F419-G421 VanDerWaalsContact C-N 3.31Å; F419-G421 PolarHBondContact O-N 3.12Å; F419-L422 HydrophobicContact CB-CB 4.23Å; F419-L422 WeakPolarHBondContact O-CB 3.45Å; F419-L422 VanDerWaalsContact O-CD1 3.25Å; F419-L422 WeakPolarHBondContact O-CD1 3.2Å; F419-L422 WeakPolarHBondContact O-CG 3.22Å; F419-L422 PolarHBondContact O-N 2.97Å; F419-L422 VanDerWaalsContact O-N 3.11Å
420N89Confident92.8Very high18 Ų1815.3 Ų15.310%0.0969%0.089CC..THydrogen-bonded Turntrans53.343.1173.7-66.5-31.7000114.4L370 I375 R416 L422L370-N420 VanDerWaalsContact CD2-C 3.5Å; I375-N420 HydrophobicContact CG2-CB 4.24Å; R416-N420 WeakPolarHBondContact O-CA 3.32Å; R416-N420 PolarHBondContact O-N 2.86Å; N420-L422 VanDerWaalsContact C-N 3.31Å; N420-L422 PolarHBondContact O-N 2.94Å
421G86.3Confident93.3Very high5 Ų511.1 Ų11.15%0.0527%0.069CC..THydrogen-bonded Turntrans79.67.1177.600000114.9R416 F419 I423R416-G421 PolarHBondContact O-N 3.18Å; F419-G421 VanDerWaalsContact C-N 3.31Å; F419-G421 PolarHBondContact O-N 3.12Å; G421-I423 PolarHBondContact O-N 3.4Å
422L89.7Confident93.7Very high4 Ų410.5 Ų10.52%0.0217%0.066CC..  trans-81.749-177.1-61.8172000113.2P11 V13 F26 C398 I400 F419 N420P11-L422 HydrophobicContact CB-CD1 4.1Å; P11-L422 HydrophobicContact CB-CD2 4.4Å; P11-L422 HydrophobicContact CG-CD1 4.2Å; P11-L422 HydrophobicContact CG-CD2 3.64Å; P11-L422 HydrophobicContact CG-CG 4.07Å; V13-L422 HydrophobicContact CG1-CD1 3.76Å; F26-L422 HydrophobicContact CD1-CD2 4.44Å; F26-L422 HydrophobicContact CE1-CD2 3.56Å; F26-L422 HydrophobicContact CE2-CD2 3.68Å; F26-L422 HydrophobicContact CZ-CD2 3.12Å; C398-L422 WeakPolarHBondContact O-CD2 3.29Å; I400-L422 PolarHBondContact N-O 3.18Å; F419-L422 HydrophobicContact CB-CB 4.23Å; F419-L422 WeakPolarHBondContact O-CB 3.45Å; F419-L422 VanDerWaalsContact O-CD1 3.25Å; F419-L422 WeakPolarHBondContact O-CD1 3.2Å; F419-L422 WeakPolarHBondContact O-CG 3.22Å; F419-L422 PolarHBondContact O-N 2.97Å; F419-L422 VanDerWaalsContact O-N 3.11Å; N420-L422 VanDerWaalsContact C-N 3.31Å; N420-L422 PolarHBondContact O-N 2.94Å
423I94.3Very high94Very high9 Ų910.2 Ų10.25%0.0467%0.065CC..EExtended strand (participates in β ladder)trans-132134175.1-177.7168.3000110.7L338 I400 T402 L407 F415 R416 G421L338-I423 HydrophobicContact CD1-CD1 4.34Å; I400-I423 HydrophobicContact CB-CB 4.24Å; I400-I423 HydrophobicContact CB-CG1 4.22Å; I400-I423 HydrophobicContact CG2-CD1 4.33Å; I400-I423 HydrophobicContact CG2-CG1 4.25Å; I400-I423 CarbonylContact O-C 3.51Å; I400-I423 VanDerWaalsContact O-CA 3.28Å; I400-I423 WeakPolarHBondContact O-CA 3.32Å; T402-I423 HydrophobicContact CG2-CD1 4.27Å; T402-I423 HydrophobicContact CG2-CG1 4.44Å; L407-I423 HydrophobicContact CD2-CD1 4.01Å; F415-I423 HydrophobicContact CB-CD1 3.69Å; F415-I423 HydrophobicContact CG-CD1 4.38Å; R416-I423 HydrophobicContact CB-CG2 4.25Å; R416-I423 HydrophobicContact CG-CG2 3.23Å; G421-I423 PolarHBondContact O-N 3.4Å
424V95.1Very high94.1Very high4 Ų49.3 Ų9.32%0.0246%0.062CC..EExtended strand (participates in β ladder)trans-119.9129.3176.91730000108.5M399 I400 V401 T402 A438 T439 L441M399-V424 HydrophobicContact CG-CG2 4.21Å; M399-V424 HydrophobicContact SD-CG2 3.85Å; I400-V424 PolarHBondContact O-N 2.88Å; V401-V424 CarbonylContact C-O 3.51Å; V401-V424 WeakPolarHBondContact CA-O 3.45Å; T402-V424 PolarHBondContact N-O 3.19Å; V424-A438 HydrophobicContact CG1-CB 4.03Å; V424-T439 VanDerWaalsContact CA-OG1 3.32Å; V424-T439 WeakPolarHBondContact CA-OG1 3.3Å; V424-L441 HydrophobicContact CG2-CD2 3.73Å
425V94.9Very high94.1Very high10 Ų1010.7 Ų10.76%0.0617%0.07CC..EExtended strand (participates in β ladder)trans-105.3122.4174.4-172.60000108.4T402 L407 F412 A438 T439 V449T402-V425 HydrophobicContact CG2-CB 4.38Å; T402-V425 HydrophobicContact CG2-CG1 4.39Å; T402-V425 HydrophobicContact CG2-CG2 3.92Å; T402-V425 CarbonylContact O-C 3.55Å; T402-V425 WeakPolarHBondContact O-CA 3.28Å; L407-V425 HydrophobicContact CD2-CG2 3.8Å; F412-V425 HydrophobicContact CD2-CG2 3.9Å; F412-V425 HydrophobicContact CE2-CG2 4.01Å; V425-A438 CarbonylContact O-C 3.56Å; V425-A438 WeakPolarHBondContact O-CA 3.27Å; V425-T439 HydrophobicContact CB-CG2 3.87Å; V425-T439 HydrophobicContact CG2-CG2 4.45Å; V425-T439 PolarHBondContact N-OG1 3.01Å; V425-T439 PolarHBondContact O-N 2.98Å; V425-V449 HydrophobicContact CG1-CG1 4.27Å
426G94.2Very high94.2Very high14 Ų1410.8 Ų10.814%0.1447%0.071CC..EExtended strand (participates in β ladder)trans-115147.2-179.900000112.5T402 G403 S437T402-G426 PolarHBondContact O-N 2.87Å; G403-G426 VanDerWaalsContact CA-O 3.32Å; G403-G426 WeakPolarHBondContact CA-O 3.2Å; G426-S437 CarbonylContact C-O 3.58Å; G426-S437 VanDerWaalsContact CA-O 3.28Å; G426-S437 WeakPolarHBondContact CA-O 3.31Å
427Y95.7Very high94.3Very high23 Ų2310.6 Ų10.69%0.097%0.071CC..EExtended strand (participates in β ladder)trans-119.4145.5170.1165.4-98.6000110.5A436 S437 V449 I478 T508 D510 L520 I522Y427-A436 HydrophobicContact CD1-CB 4.41Å; Y427-A436 PolarHBondContact O-N 2.88Å; Y427-S437 PolarHBondContact N-O 3.46Å; Y427-S437 PolarHBondContact O-N 3.15Å; Y427-S437 VanDerWaalsContact O-N 3.13Å; Y427-V449 HydrophobicContact CG-CG2 4.31Å; Y427-I478 HydrophobicContact CE1-CD1 4.29Å; Y427-I478 HydrophobicContact CE1-CG2 4.22Å; Y427-T508 VanDerWaalsContact OH-CB 3.29Å; Y427-T508 WeakPolarHBondContact OH-CB 3.33Å; Y427-T508 WeakPolarHBondContact OH-CG2 2.98Å; Y427-T508 PolarHBondContact OH-OG1 2.75Å; Y427-D510 HydrophobicContact CE2-CB 4.44Å; Y427-D510 WeakPolarHBondContact CE2-OD2 3.38Å; Y427-D510 WeakPolarHBondContact OH-CB 3.25Å; Y427-D510 PolarHBondContact OH-OD2 3.25Å; Y427-L520 HydrophobicContact CD1-CD2 4.13Å; Y427-L520 HydrophobicContact CE1-CD2 4.42Å; Y427-I522 HydrophobicContact CD1-CD1 4.03Å; Y427-I522 HydrophobicContact CD2-CD1 3.6Å; Y427-I522 HydrophobicContact CD2-CG1 3.83Å; Y427-I522 HydrophobicContact CE1-CD1 4.16Å; Y427-I522 HydrophobicContact CE2-CD1 3.74Å; Y427-I522 HydrophobicContact CE2-CG1 4.27Å; Y427-I522 HydrophobicContact CG-CD1 3.75Å; Y427-I522 HydrophobicContact CG-CG1 4.19Å
428G94.8Very high94.4Very high24 Ų2411.1 Ų11.125%0.2478%0.075CC..  trans164.8-168.7169.400000110.4G434G428-G434 CarbonylContact C-O 3.5Å; G428-G434 VanDerWaalsContact C-O 3.22Å; G428-G434 WeakPolarHBondContact CA-O 3.39Å
429S94.7Very high94.5Very high24 Ų2411.2 Ų11.217%0.1688%0.076CC..  trans-146.3172-175.768.60000111.1E431 V432 S433 G434S429-E431 WeakPolarHBondContact CB-OE2 3.38Å; S429-E431 PolarHBondContact O-N 3.19Å; S429-E431 PolarHBondContact OG-N 2.88Å; S429-E431 PolarHBondContact OG-OE2 3.26Å; S429-V432 CarbonylContact O-C 3.49Å; S429-V432 PolarHBondContact O-N 2.7Å; S429-V432 PolarHBondContact OG-N 2.97Å; S429-S433 PolarHBondContact O-N 2.86Å; S429-G434 PolarHBondContact N-O 3.34Å; S429-G434 VanDerWaalsContact N-O 3.15Å; S429-G434 PolarHBondContact O-N 2.83Å
430T95.1Very high94.4Very high16 Ų1611.1 Ų11.110%0.0988%0.075CC..G310 helixtrans-60.7-36.4173.2-51.80000111C243 T245 V255 I257 I293 V432 S433C243-T430 HydrophobicContact CB-CG2 3.52Å; T245-T430 HydrophobicContact CG2-CG2 3.88Å; T245-T430 WeakPolarHBondContact CG2-OG1 3.4Å; V255-T430 HydrophobicContact CB-CG2 3.77Å; V255-T430 HydrophobicContact CG1-CG2 3.98Å; V255-T430 HydrophobicContact CG2-CG2 3.86Å; I257-T430 HydrophobicContact CD1-CG2 4.05Å; I293-T430 HydrophobicContact CB-CG2 4.43Å; T430-V432 PolarHBondContact O-N 3.06Å; T430-S433 WeakPolarHBondContact O-CA 3.14Å; T430-S433 PolarHBondContact O-N 2.99Å
431E96.9Very high94.5Very high24 Ų2410.4 Ų10.411%0.1127%0.072CC..G310 helixtrans-66.6-18.6179.1-6687170.900113.7V255 S429 C485 T486 Y489 I499 L506V255-E431 HydrophobicContact CG1-CG 4.21Å; V255-E431 HydrophobicContact CG2-CG 3.89Å; S429-E431 WeakPolarHBondContact CB-OE2 3.38Å; S429-E431 PolarHBondContact O-N 3.19Å; S429-E431 PolarHBondContact OG-N 2.88Å; S429-E431 PolarHBondContact OG-OE2 3.26Å; E431-C485 CarbonylContact O-C 3.29Å; E431-C485 WeakPolarHBondContact O-CA 3.28Å; E431-T486 HydrophobicContact CB-CG2 3.92Å; E431-T486 HydrophobicContact CG-CG2 4.24Å; E431-T486 WeakPolarHBondContact O-CB 3.25Å; E431-T486 WeakPolarHBondContact O-CG2 3.5Å; E431-T486 PolarHBondContact O-N 2.86Å; E431-Y489 HydrophobicContact CG-CE1 4.17Å; E431-Y489 PolarHBondContact OE1-OH 3.12Å; E431-I499 HydrophobicContact CB-CD1 4.23Å; E431-I499 HydrophobicContact CG-CD1 3.81Å; E431-L506 HydrophobicContact CB-CD1 3.98Å; E431-L506 HydrophobicContact CB-CD2 4.28Å; E431-L506 WeakPolarHBondContact O-CD1 3.3Å
432V97.1Very high94.6Very high0 Ų010.6 Ų10.60%07%0.073CC..G310 helixtrans-109.319.3171.3-158.10000110.9S429 T430 G434 A436 I480 R484 L506S429-V432 CarbonylContact O-C 3.49Å; S429-V432 PolarHBondContact O-N 2.7Å; S429-V432 PolarHBondContact OG-N 2.97Å; T430-V432 PolarHBondContact O-N 3.06Å; V432-G434 PolarHBondContact O-N 3.17Å; V432-G434 VanDerWaalsContact O-N 3.14Å; V432-A436 HydrophobicContact CG1-CB 4.33Å; V432-I480 HydrophobicContact CG1-CD1 4.34Å; V432-I480 HydrophobicContact CG1-CG2 3.96Å; V432-I480 HydrophobicContact CG2-CD1 3.8Å; V432-R484 CarbonylContact C-O 3.53Å; V432-R484 VanDerWaalsContact C-O 3.28Å; V432-R484 HydrophobicContact CG1-CB 4.12Å; V432-L506 HydrophobicContact CG2-CD2 4.11Å
433S97.2Very high94.7Very high0 Ų010.7 Ų10.70%07%0.074CC..THydrogen-bonded Turntrans56.131.4179.1-53.40000113.9N261 T265 S429 T430 R484N261-S433 VanDerWaalsContact CB-OG 3.29Å; N261-S433 WeakPolarHBondContact CB-OG 3.47Å; T265-S433 WeakPolarHBondContact CG2-O 3.08Å; T265-S433 WeakPolarHBondContact OG1-CB 3.4Å; T265-S433 PolarHBondContact OG1-O 3.16Å; S429-S433 PolarHBondContact O-N 2.86Å; T430-S433 WeakPolarHBondContact O-CA 3.14Å; T430-S433 PolarHBondContact O-N 2.99Å; S433-R484 PolarHBondContact OG-O 3.21Å
434G94.9Very high94.5Very high9 Ų912.4 Ų12.49%0.0939%0.086CC..SBendtrans122.8-90.7170.700000113.2G428 S429 V432G428-G434 CarbonylContact C-O 3.5Å; G428-G434 VanDerWaalsContact C-O 3.22Å; G428-G434 WeakPolarHBondContact CA-O 3.39Å; S429-G434 PolarHBondContact N-O 3.34Å; S429-G434 VanDerWaalsContact N-O 3.15Å; S429-G434 PolarHBondContact O-N 2.83Å; V432-G434 PolarHBondContact O-N 3.17Å; V432-G434 VanDerWaalsContact O-N 3.14Å
435V94.9Very high94.2Very high31 Ų3115.7 Ų15.719%0.18810%0.101CC..  trans-101.4142.1-172-171.70000111S437 A438 T453 R484V435-S437 WeakPolarHBondContact CG1-O 3.22Å; V435-A438 HydrophobicContact CG1-CB 4.33Å; V435-T453 HydrophobicContact CG1-CG2 3.83Å; V435-R484 PolarHBondContact O-NE 2.66Å; V435-R484 VanDerWaalsContact O-NE 3.14Å; V435-R484 PolarHBondContact O-NH2 2.82Å
436A96.7Very high93.8Very high2 Ų219.6 Ų19.62%0.01712%0.119CC..SBendtrans-124.4-38.4170.900000110.8Y427 V432 T453 I456 I480Y427-A436 HydrophobicContact CD1-CB 4.41Å; Y427-A436 PolarHBondContact O-N 2.88Å; V432-A436 HydrophobicContact CG1-CB 4.33Å; A436-T453 PolarHBondContact O-N 3.24Å; A436-T453 PolarHBondContact O-OG1 2.88Å; A436-I456 HydrophobicContact CB-CD1 3.97Å; A436-I456 WeakPolarHBondContact O-CD1 3.27Å; A436-I480 HydrophobicContact CB-CD1 3.6Å
437S96.9Very high93.3Very high1 Ų120.8 Ų20.81%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-132.6152.717176.20000111G426 Y427 V435 V449 A451G426-S437 CarbonylContact C-O 3.58Å; G426-S437 VanDerWaalsContact CA-O 3.28Å; G426-S437 WeakPolarHBondContact CA-O 3.31Å; Y427-S437 PolarHBondContact N-O 3.46Å; Y427-S437 PolarHBondContact O-N 3.15Å; Y427-S437 VanDerWaalsContact O-N 3.13Å; V435-S437 WeakPolarHBondContact CG1-O 3.22Å; S437-V449 CarbonylContact C-O 3.56Å; S437-V449 VanDerWaalsContact C-O 3.29Å; S437-V449 WeakPolarHBondContact CB-O 3.34Å; S437-V449 VanDerWaalsContact OG-CG2 3.29Å; S437-V449 WeakPolarHBondContact OG-CG2 3.42Å; S437-V449 PolarHBondContact OG-O 3.3Å; S437-A451 CarbonylContact C-O 3.54Å; S437-A451 WeakPolarHBondContact CA-O 3.05Å; S437-A451 WeakPolarHBondContact CB-O 3.42Å
438A96Very high93.1Very high11 Ų1120 Ų209%0.09113%0.128CC..EExtended strand (participates in β ladder)trans-147.5143.2172.700000111V424 V425 V435 V440 V449 G450 A451 T453V424-A438 HydrophobicContact CG1-CB 4.03Å; V425-A438 CarbonylContact O-C 3.56Å; V425-A438 WeakPolarHBondContact O-CA 3.27Å; V435-A438 HydrophobicContact CG1-CB 4.33Å; A438-V440 PolarHBondContact O-N 3.37Å; A438-V449 CarbonylContact C-O 3.57Å; A438-V449 VanDerWaalsContact C-O 3.32Å; A438-V449 VanDerWaalsContact CA-O 3.25Å; A438-V449 WeakPolarHBondContact CA-O 3.38Å; A438-V449 PolarHBondContact N-O 3.38Å; A438-V449 VanDerWaalsContact N-O 3.15Å; A438-G450 CarbonylContact O-C 3.53Å; A438-G450 WeakPolarHBondContact O-CA 3.26Å; A438-A451 PolarHBondContact N-O 3.11Å; A438-A451 PolarHBondContact O-N 3.01Å; A438-T453 HydrophobicContact CB-CG2 4.47Å
439T95.6Very high93.1Very high2 Ų219.6 Ų19.61%0.01212%0.121CC..PPolyproline II helixtrans-60.1130173.658.40000110.1V424 V425 E443 V449V424-T439 VanDerWaalsContact CA-OG1 3.32Å; V424-T439 WeakPolarHBondContact CA-OG1 3.3Å; V425-T439 HydrophobicContact CB-CG2 3.87Å; V425-T439 HydrophobicContact CG2-CG2 4.45Å; V425-T439 PolarHBondContact N-OG1 3.01Å; V425-T439 PolarHBondContact O-N 2.98Å; T439-E443 HydrophobicContact CG2-CB 4.33Å; T439-E443 HydrophobicContact CG2-CG 3.92Å; T439-V449 PolarHBondContact N-O 2.81Å
440V93.2Very high93.1Very high3 Ų318.4 Ų18.42%0.01811%0.113CC..PPolyproline II helixtrans-67156.2174.6-57.80000110.5L31 Q34 M49 A438 G442 E443 A451L31-V440 HydrophobicContact CD2-CG2 3.58Å; L31-V440 HydrophobicContact CG-CG2 4.16Å; Q34-V440 HydrophobicContact CG-CG1 4.29Å; Q34-V440 HydrophobicContact CG-CG2 4.36Å; M49-V440 HydrophobicContact CE-CB 4.3Å; M49-V440 HydrophobicContact CE-CG1 3.56Å; A438-V440 PolarHBondContact O-N 3.37Å; V440-G442 PolarHBondContact O-N 2.8Å; V440-E443 VanDerWaalsContact O-CB 3.29Å; V440-E443 WeakPolarHBondContact O-CB 3.47Å; V440-E443 PolarHBondContact O-N 3.36Å; V440-A451 HydrophobicContact CG1-CB 3.73Å
441L90.3Very high93.2Very high3 Ų317.9 Ų17.92%0.01611%0.11CC..THydrogen-bonded Turntrans-64.3123.9-176.5-63.2175.1000111F26 F27 S28 K276 M399 V424F26-L441 HydrophobicContact CE1-CB 4.3Å; F26-L441 HydrophobicContact CE1-CD2 4.37Å; F26-L441 HydrophobicContact CE2-CD1 4.32Å; F26-L441 HydrophobicContact CZ-CD1 4.26Å; F26-L441 HydrophobicContact CZ-CD2 3.97Å; F26-L441 HydrophobicContact CZ-CG 4.5Å; F26-L441 WeakPolarHBondContact O-CB 3.42Å; F27-L441 WeakPolarHBondContact CA-O 3.44Å; S28-L441 PolarHBondContact N-O 3.29Å; K276-L441 HydrophobicContact CB-CD1 3.94Å; K276-L441 HydrophobicContact CD-CD1 3.21Å; K276-L441 HydrophobicContact CG-CD1 4.19Å; M399-L441 HydrophobicContact CE-CD1 4.28Å; M399-L441 HydrophobicContact CE-CD2 3.49Å; M399-L441 VanDerWaalsContact CE-CD2 3.49Å; M399-L441 HydrophobicContact SD-CD2 4.18Å; V424-L441 HydrophobicContact CG2-CD2 3.73Å
442G88.7Confident93.1Very high8 Ų816.8 Ų16.88%0.08211%0.105CC..THydrogen-bonded Turntrans96-2.1-176.100000115.5F27 V440 S444F27-G442 VanDerWaalsContact CD1-CA 3.45Å; V440-G442 PolarHBondContact O-N 2.8Å; G442-S444 PolarHBondContact O-N 3.11Å
443E91.6Very high93Very high7 Ų716.8 Ų16.83%0.03311%0.105CC..  trans-45.7133.2176.2178.459.1-89.500111.6Q34 R416 T439 V440 H445Q34-E443 PolarHBondContact NE2-OE2 3.26Å; R416-E443 PolarHBondContact NE-O 2.8Å; R416-E443 PolarHBondContact NH2-O 3.09Å; T439-E443 HydrophobicContact CG2-CB 4.33Å; T439-E443 HydrophobicContact CG2-CG 3.92Å; V440-E443 VanDerWaalsContact O-CB 3.29Å; V440-E443 WeakPolarHBondContact O-CB 3.47Å; V440-E443 PolarHBondContact O-N 3.36Å; E443-H445 WeakPolarHBondContact OE1-CB 3.28Å; E443-H445 IonicContact OE1-CE1 2.86Å; E443-H445 IonicContact OE1-CG 2.93Å; E443-H445 PolarHBondContact OE1-N 2.94Å; E443-H445 IonicContact OE1-ND1 2.7Å; E443-H445 PolarHBondContact OE1-ND1 3.06Å
444S89.2Confident92.7Very high44 Ų4417.3 Ų17.331%0.30811%0.108SC..  trans-113-15.2179.160.50000115.4N371 R416 G442 E446N371-S444 VanDerWaalsContact OD1-CB 3.28Å; N371-S444 WeakPolarHBondContact OD1-CB 2.86Å; R416-S444 VanDerWaalsContact CZ-CA 3.48Å; R416-S444 VanDerWaalsContact NH1-CA 3.35Å; G442-S444 PolarHBondContact O-N 3.11Å; S444-E446 PolarHBondContact O-N 2.9Å
445H88.7Confident92.5Very high73 Ų7322 Ų2234%0.33812%0.123SC..  trans-75.7117.3-177.8-60.595.6000111.2E443 T448E443-H445 WeakPolarHBondContact OE1-CB 3.28Å; E443-H445 IonicContact OE1-CE1 2.86Å; E443-H445 IonicContact OE1-CG 2.93Å; E443-H445 PolarHBondContact OE1-N 2.94Å; E443-H445 IonicContact OE1-ND1 2.7Å; E443-H445 PolarHBondContact OE1-ND1 3.06Å; H445-T448 HydrophobicContact CB-CG2 3.71Å; H445-T448 PolarHBondContact O-OG1 3.05Å; H445-T448 VanDerWaalsContact O-OG1 3.08Å
446E86.6Confident92.5Very high93 Ų9320.7 Ų20.744%0.43512%0.115SC..THydrogen-bonded Turntrans-66.4146.3176-58.9174.4-169.200111.6S409 F412 N413 S444 T448S409-E446 WeakPolarHBondContact CB-OE2 3.31Å; S409-E446 PolarHBondContact OG-OE2 2.88Å; F412-E446 HydrophobicContact CD1-CG 4.04Å; F412-E446 HydrophobicContact CE1-CG 4.31Å; N413-E446 PolarHBondContact ND2-OE1 3.21Å; S444-E446 PolarHBondContact O-N 2.9Å; E446-T448 PolarHBondContact O-N 2.99Å; E446-T448 VanDerWaalsContact O-N 3.15Å
447G83.8Confident92.5Very high38 Ų3822.9 Ų22.939%0.39213%0.125SC..THydrogen-bonded Turntrans73.8-3.3174.600000115.5
448T92.5Very high92.5Very high6 Ų622.9 Ų22.94%0.03713%0.125CC..EExtended strand (participates in β ladder)trans-80.7154.3172.369.70000111.1H445 E446 T515 A519H445-T448 HydrophobicContact CB-CG2 3.71Å; H445-T448 PolarHBondContact O-OG1 3.05Å; H445-T448 VanDerWaalsContact O-OG1 3.08Å; E446-T448 PolarHBondContact O-N 2.99Å; E446-T448 VanDerWaalsContact O-N 3.15Å; T448-T515 HydrophobicContact CG2-CG2 3.83Å; T448-A519 HydrophobicContact CG2-CB 4.35Å
449V94.4Very high92.6Very high16 Ų1623.7 Ų23.710%0.09713%0.127CC..EExtended strand (participates in β ladder)trans-112.913.7170-63.40000111.3V425 Y427 S437 A438 T439 L520 I522V425-V449 HydrophobicContact CG1-CG1 4.27Å; Y427-V449 HydrophobicContact CG-CG2 4.31Å; S437-V449 CarbonylContact C-O 3.56Å; S437-V449 VanDerWaalsContact C-O 3.29Å; S437-V449 WeakPolarHBondContact CB-O 3.34Å; S437-V449 VanDerWaalsContact OG-CG2 3.29Å; S437-V449 WeakPolarHBondContact OG-CG2 3.42Å; S437-V449 PolarHBondContact OG-O 3.3Å; A438-V449 CarbonylContact C-O 3.57Å; A438-V449 VanDerWaalsContact C-O 3.32Å; A438-V449 VanDerWaalsContact CA-O 3.25Å; A438-V449 WeakPolarHBondContact CA-O 3.38Å; A438-V449 PolarHBondContact N-O 3.38Å; A438-V449 VanDerWaalsContact N-O 3.15Å; T439-V449 PolarHBondContact N-O 2.81Å; V449-L520 HydrophobicContact CG2-CB 3.93Å; V449-L520 HydrophobicContact CG2-CD2 4.12Å; V449-L520 HydrophobicContact CG2-CG 3.94Å; V449-L520 VanDerWaalsContact CG2-O 3.22Å; V449-L520 WeakPolarHBondContact CG2-O 3.39Å; V449-L520 PolarHBondContact N-O 3.14Å; V449-I522 HydrophobicContact CG1-CG1 3.9Å; V449-I522 HydrophobicContact CG2-CD1 3.86Å; V449-I522 HydrophobicContact CG2-CG1 3.8Å
450G95.1Very high92.8Very high0 Ų024.1 Ų24.10%013%0.129CC..EExtended strand (participates in β ladder)trans80.2-159.2162.900000117.3A438 A519 L520A438-G450 CarbonylContact O-C 3.53Å; A438-G450 WeakPolarHBondContact O-CA 3.26Å; G450-A519 WeakPolarHBondContact O-CA 3.23Å; G450-L520 PolarHBondContact N-O 3.31Å; G450-L520 PolarHBondContact O-N 3.45Å
451A96.1Very high92.9Very high4 Ų424.9 Ų24.93%0.03314%0.135CC..EExtended strand (participates in β ladder)trans-69.8148.4-177.300000111.6Q34 S437 A438 V440 T453Q34-A451 HydrophobicContact CB-CB 3.69Å; Q34-A451 HydrophobicContact CG-CB 4.3Å; Q34-A451 VanDerWaalsContact OE1-N 3.14Å; S437-A451 CarbonylContact C-O 3.54Å; S437-A451 WeakPolarHBondContact CA-O 3.05Å; S437-A451 WeakPolarHBondContact CB-O 3.42Å; A438-A451 PolarHBondContact N-O 3.11Å; A438-A451 PolarHBondContact O-N 3.01Å; V440-A451 HydrophobicContact CG1-CB 3.73Å; A451-T453 PolarHBondContact O-N 3.42Å
452I96.7Very high93.1Very high1 Ų128.8 Ų28.81%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-60.2131.3164.5-61.5169.9000108.1S35 R45 S47 I456 V458 W514S35-I452 WeakPolarHBondContact OG-CG1 3.26Å; S35-I452 PolarHBondContact OG-N 3.46Å; R45-I452 VanDerWaalsContact C-CD1 3.49Å; R45-I452 HydrophobicContact CB-CD1 3.38Å; R45-I452 WeakPolarHBondContact O-CD1 3.49Å; S47-I452 WeakPolarHBondContact CB-O 3.46Å; S47-I452 PolarHBondContact OG-O 3.13Å; I452-I456 HydrophobicContact CG2-CD1 4.11Å; I452-I456 HydrophobicContact CG2-CG1 3.72Å; I452-V458 HydrophobicContact CB-CG2 4.47Å; I452-V458 HydrophobicContact CD1-CB 3.65Å; I452-V458 HydrophobicContact CD1-CG2 3.89Å; I452-V458 HydrophobicContact CG1-CB 4.07Å; I452-V458 HydrophobicContact CG1-CG2 3.87Å; I452-V458 HydrophobicContact CG2-CG2 3.79Å; I452-W514 HydrophobicContact CD1-CH2 3.57Å; I452-W514 HydrophobicContact CD1-CZ2 4.43Å; I452-W514 HydrophobicContact CD1-CZ3 4.06Å; I452-W514 HydrophobicContact CG1-CH2 3.87Å; I452-W514 HydrophobicContact CG1-CZ3 4.07Å
453T94.5Very high93.1Very high1 Ų128.9 Ų28.91%0.00616%0.155CC..PPolyproline II helixtrans-70.8155.317562.30000110.7S268 S272 V435 A436 A438 A451 I456S268-T453 WeakPolarHBondContact OG-CB 3.39Å; S268-T453 PolarHBondContact OG-OG1 3.21Å; S272-T453 WeakPolarHBondContact OG-CA 3.26Å; S272-T453 WeakPolarHBondContact OG-CB 3.5Å; S272-T453 VanDerWaalsContact OG-CG2 3.27Å; S272-T453 WeakPolarHBondContact OG-CG2 3.3Å; V435-T453 HydrophobicContact CG1-CG2 3.83Å; A436-T453 PolarHBondContact O-N 3.24Å; A436-T453 PolarHBondContact O-OG1 2.88Å; A438-T453 HydrophobicContact CB-CG2 4.47Å; A451-T453 PolarHBondContact O-N 3.42Å; T453-I456 WeakPolarHBondContact O-CG1 3.47Å
454S90.8Very high92.8Very high10 Ų1033.8 Ų33.87%0.0719%0.187CC..THydrogen-bonded Turntrans-58.9160.5-178.461.50000112.5S268 E271 I456S268-S454 WeakPolarHBondContact CA-OG 3.44Å; S268-S454 WeakPolarHBondContact CB-O 3.38Å; S268-S454 VanDerWaalsContact CB-OG 3.23Å; S268-S454 WeakPolarHBondContact CB-OG 3.18Å; S268-S454 PolarHBondContact OG-N 3.36Å; S268-S454 PolarHBondContact OG-O 3.25Å; S268-S454 PolarHBondContact OG-OG 3.42Å; E271-S454 WeakPolarHBondContact OE2-CB 3.44Å; E271-S454 PolarHBondContact OE2-OG 3.31Å; S454-I456 VanDerWaalsContact C-N 3.3Å; S454-I456 PolarHBondContact O-N 2.81Å
455R89.8Confident92.2Very high108 Ų10838.9 Ų38.941%0.40821%0.211SC..THydrogen-bonded Turntrans71.25.5174.1-50.3-174.6174.581.45.1117.5D264 E271D264-R455 WeakPolarHBondContact OD2-CD 3.32Å; E271-R455 IonicContact OE1-CZ 3.03Å; E271-R455 IonicContact OE1-NH1 3.54Å; E271-R455 PolarHBondContact OE1-NH1 3.16Å; E271-R455 IonicContact OE1-NH2 2.86Å; E271-R455 PolarHBondContact OE1-NH2 3.38Å; E271-R455 IonicContact OE2-CZ 2.74Å; E271-R455 IonicContact OE2-NH1 3.7Å; E271-R455 PolarHBondContact OE2-NH1 2.93Å; E271-R455 IonicContact OE2-NH2 2.83Å
456I94.8Very high91.4Very high4 Ų436.2 Ų36.22%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-127.4157.1173.864.1169.8000112A436 I452 T453 S454 V458 I480 K481 R484A436-I456 HydrophobicContact CB-CD1 3.97Å; A436-I456 WeakPolarHBondContact O-CD1 3.27Å; I452-I456 HydrophobicContact CG2-CD1 4.11Å; I452-I456 HydrophobicContact CG2-CG1 3.72Å; T453-I456 WeakPolarHBondContact O-CG1 3.47Å; S454-I456 VanDerWaalsContact C-N 3.3Å; S454-I456 PolarHBondContact O-N 2.81Å; I456-V458 HydrophobicContact CD1-CG2 4.06Å; I456-V458 HydrophobicContact CG1-CG2 4.47Å; I456-I480 HydrophobicContact CB-CG2 4.32Å; I456-I480 HydrophobicContact CD1-CG2 3.91Å; I456-K481 WeakPolarHBondContact CA-O 3.48Å; I456-R484 HydrophobicContact CG2-CB 4.22Å; I456-R484 HydrophobicContact CG2-CG 4.1Å
457E97Very high91.1Very high47 Ų4736.5 Ų36.522%0.2220%0.204CC..EExtended strand (participates in β ladder)trans-105.9139.9167-67.3177.6166.300109.3R45 Q46 I480 K481 W505R45-E457 WeakPolarHBondContact O-CA 3.39Å; Q46-E457 HydrophobicContact CG-CB 4.49Å; Q46-E457 HydrophobicContact CG-CG 3.65Å; Q46-E457 VanDerWaalsContact NE2-CG 3.26Å; Q46-E457 PolarHBondContact NE2-OE1 2.9Å; E457-I480 WeakPolarHBondContact O-CA 3.38Å; E457-K481 PolarHBondContact N-O 2.82Å; E457-K481 PolarHBondContact O-N 3.4Å; E457-K481 WeakPolarHBondContact OE2-CE 3.33Å; E457-K481 IonicContact OE2-NZ 3.43Å; E457-K481 PolarHBondContact OE2-NZ 3.01Å; E457-W505 HydrophobicContact CB-CH2 3.75Å; E457-W505 HydrophobicContact CB-CZ3 4.01Å
458V98.4Very high91.1Very high2 Ų235.8 Ų35.81%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-128.4128.6172.7-172.90000109.2R45 I452 I456 I478 C479 I480 W514R45-V458 PolarHBondContact N-O 3.44Å; R45-V458 PolarHBondContact O-N 3.49Å; I452-V458 HydrophobicContact CB-CG2 4.47Å; I452-V458 HydrophobicContact CD1-CB 3.65Å; I452-V458 HydrophobicContact CD1-CG2 3.89Å; I452-V458 HydrophobicContact CG1-CB 4.07Å; I452-V458 HydrophobicContact CG1-CG2 3.87Å; I452-V458 HydrophobicContact CG2-CG2 3.79Å; I456-V458 HydrophobicContact CD1-CG2 4.06Å; I456-V458 HydrophobicContact CG1-CG2 4.47Å; V458-I478 HydrophobicContact CG1-CG2 3.72Å; V458-C479 WeakPolarHBondContact CA-O 3.25Å; V458-I480 HydrophobicContact CG1-CG1 4.23Å; V458-I480 HydrophobicContact CG2-CG1 4.11Å; V458-I480 HydrophobicContact CG2-CG2 4.39Å; V458-W514 HydrophobicContact CB-CH2 4.18Å; V458-W514 HydrophobicContact CB-CZ2 4.49Å; V458-W514 HydrophobicContact CG1-CH2 4.06Å; V458-W514 HydrophobicContact CG1-CZ2 4.23Å
459K97.8Very high90.9Very high28 Ų2838 Ų3812%0.12220%0.204CC..EExtended strand (participates in β ladder)trans-119.9161.217172.3178.5-177.3-1740110.2A44 C479 W505A44-K459 HydrophobicContact CB-CB 4.05Å; K459-C479 HydrophobicContact CD-CB 4.44Å; K459-C479 HydrophobicContact CG-CB 3.73Å; K459-C479 PolarHBondContact N-O 2.72Å; K459-C479 PolarHBondContact O-N 2.84Å; K459-W505 HydrophobicContact CB-CH2 4.18Å; K459-W505 HydrophobicContact CB-CZ3 4.21Å; K459-W505 HydrophobicContact CD-CD2 3.86Å; K459-W505 HydrophobicContact CD-CE3 4.09Å; K459-W505 HydrophobicContact CD-CG 4.48Å; K459-W505 HydrophobicContact CD-CH2 4.04Å; K459-W505 HydrophobicContact CD-CZ2 3.8Å; K459-W505 HydrophobicContact CD-CZ3 4.18Å; K459-W505 VanDerWaalsContact CE-CD2 3.48Å; K459-W505 HydrophobicContact CG-CD2 4.21Å; K459-W505 HydrophobicContact CG-CE3 3.91Å; K459-W505 HydrophobicContact CG-CH2 4.04Å; K459-W505 HydrophobicContact CG-CZ2 4.32Å; K459-W505 HydrophobicContact CG-CZ3 3.83Å
460L98.2Very high90.9Very high11 Ų1137.7 Ų37.76%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-98.1123.4162.6-59.5-180000107.1A470 E477 I478 G512 W514 L520L460-A470 HydrophobicContact CB-CB 3.9Å; L460-A470 WeakPolarHBondContact O-CB 3.46Å; L460-E477 CarbonylContact C-O 3.53Å; L460-E477 VanDerWaalsContact CA-O 3.29Å; L460-E477 WeakPolarHBondContact CA-O 3.26Å; L460-I478 HydrophobicContact CD2-CG1 3.85Å; L460-G512 WeakPolarHBondContact CD1-O 3.08Å; L460-W514 VanDerWaalsContact CD1-CD1 3.49Å; L460-W514 HydrophobicContact CD1-CG 4.33Å; L460-W514 HydrophobicContact CG-CZ2 4.44Å; L460-L520 HydrophobicContact CD2-CD1 4.48Å
461A96.5Very high90.7Very high18 Ų1843.4 Ų43.415%0.14923%0.233CC..EExtended strand (participates in β ladder)trans-95.6149.6176.100000110.9G476 E477 C479A461-G476 CarbonylContact O-C 3.48Å; A461-G476 WeakPolarHBondContact O-CA 3.37Å; A461-E477 HydrophobicContact CB-CB 4.42Å; A461-E477 PolarHBondContact N-O 3.03Å; A461-E477 PolarHBondContact O-N 2.88Å; A461-C479 VanDerWaalsContact CB-SG 3.58Å
462D94.1Very high90.5Very high86 Ų8650 Ų5046%0.4626%0.257SS..PPolyproline II helixtrans-58.5147.3174.9-64.4-12.7000110.6I468 V469 A470D462-I468 WeakPolarHBondContact CA-O 3.33Å; D462-V469 WeakPolarHBondContact OD1-CA 3.37Å; D462-A470 WeakPolarHBondContact OD1-CB 3.27Å; D462-A470 PolarHBondContact OD1-N 3.46Å
463V88.8Confident90.1Very high10 Ų1052.6 Ų52.66%0.06127%0.271CS..BIsolated β-bridgetrans-124.384.6174.5-170.20000107.5D465 M466 D467 I468 E477 I511 V526V463-D465 VanDerWaalsContact C-N 3.3Å; V463-D465 PolarHBondContact O-N 2.77Å; V463-M466 HydrophobicContact CB-CB 4.19Å; V463-M466 HydrophobicContact CB-CG 4.49Å; V463-M466 HydrophobicContact CG1-CB 3.94Å; V463-M466 HydrophobicContact CG1-CG 3.74Å; V463-M466 HydrophobicContact CG1-SD 3.89Å; V463-M466 CarbonylContact O-C 3.58Å; V463-M466 WeakPolarHBondContact O-CA 3.41Å; V463-M466 WeakPolarHBondContact O-CB 3.21Å; V463-M466 PolarHBondContact O-N 2.94Å; V463-D467 PolarHBondContact O-N 3.09Å; V463-I468 HydrophobicContact CB-CB 4.16Å; V463-I468 PolarHBondContact N-O 3.21Å; V463-I468 PolarHBondContact O-N 3.42Å; V463-E477 HydrophobicContact CG2-CB 4.03Å; V463-I511 HydrophobicContact CG2-CD1 3.76Å; V463-V526 HydrophobicContact CG1-CG1 4.05Å
464P84.5Confident90.1Very high109 Ų10955.8 Ų55.871%0.70829%0.288SS*.G310 helixtrans-59-37.1-171.4-27.235.7000114M466 D467P464-M466 PolarHBondContact O-N 3.35Å; P464-D467 PolarHBondContact O-N 3.03Å
465D76.5Confident90.2Very high152 Ų15260.4 Ų60.481%0.81330%0.304SS*.G310 helixtrans-59.3-22175.5-65.5-17000112.4V463 Y537V463-D465 VanDerWaalsContact C-N 3.3Å; V463-D465 PolarHBondContact O-N 2.77Å; D465-Y537 PolarHBondContact O-OH 3.45Å
466M73.5Confident90.5Very high16 Ų1655.3 Ų55.38%0.07929%0.285CS..G310 helixtrans-102.71.1178-64.9-172.465.200114.4V463 P464 I468 I529 Y537V463-M466 HydrophobicContact CB-CB 4.19Å; V463-M466 HydrophobicContact CB-CG 4.49Å; V463-M466 HydrophobicContact CG1-CB 3.94Å; V463-M466 HydrophobicContact CG1-CG 3.74Å; V463-M466 HydrophobicContact CG1-SD 3.89Å; V463-M466 CarbonylContact O-C 3.58Å; V463-M466 WeakPolarHBondContact O-CA 3.41Å; V463-M466 WeakPolarHBondContact O-CB 3.21Å; V463-M466 PolarHBondContact O-N 2.94Å; P464-M466 PolarHBondContact O-N 3.35Å; M466-I468 HydrophobicContact CB-CB 4.34Å; M466-I468 HydrophobicContact CB-CD1 3.8Å; M466-I468 HydrophobicContact CB-CG1 3.8Å; M466-I468 HydrophobicContact CE-CD1 3.62Å; M466-I468 PolarHBondContact O-N 3.31Å; M466-I468 VanDerWaalsContact O-N 3.15Å; M466-I468 HydrophobicContact SD-CD1 4.06Å; M466-I529 HydrophobicContact CE-CB 3.87Å; M466-I529 HydrophobicContact CE-CD1 3.54Å; M466-I529 HydrophobicContact CE-CG1 4.28Å; M466-I529 HydrophobicContact CE-CG2 3.34Å; M466-I529 HydrophobicContact SD-CB 4.3Å; M466-I529 HydrophobicContact SD-CD1 4.01Å; M466-I529 HydrophobicContact SD-CG2 4.34Å; M466-Y537 VanDerWaalsContact C-OH 3.31Å; M466-Y537 VanDerWaalsContact CA-OH 3.26Å; M466-Y537 WeakPolarHBondContact CA-OH 3.45Å; M466-Y537 HydrophobicContact CB-CD1 4.33Å; M466-Y537 HydrophobicContact CB-CE1 3.92Å; M466-Y537 HydrophobicContact CE-CD1 3.64Å; M466-Y537 HydrophobicContact CE-CE1 4.31Å; M466-Y537 HydrophobicContact CE-CG 3.9Å; M466-Y537 HydrophobicContact CG-CD1 4.1Å; M466-Y537 HydrophobicContact CG-CE1 3.82Å; M466-Y537 WeakPolarHBondContact O-CE2 3.43Å; M466-Y537 VanDerWaalsContact O-CZ 3.29Å; M466-Y537 PolarHBondContact O-OH 2.87Å
467D80.1Confident90.6Very high100 Ų10056.5 Ų56.554%0.53529%0.29SS..THydrogen-bonded Turntrans48.134.1-166.9-172.635.2000112.2V463 P464 R472V463-D467 PolarHBondContact O-N 3.09Å; P464-D467 PolarHBondContact O-N 3.03Å; D467-R472 PolarHBondContact O-NH2 3.38Å; D467-R472 IonicContact OD1-NH1 2.79Å
468I83Confident90.6Very high22 Ų2254.3 Ų54.311%0.11328%0.28CS..BIsolated β-bridgetrans-93.6119.6175.2-69.5176.3000108D462 V463 M466 D473 R475D462-I468 WeakPolarHBondContact CA-O 3.33Å; V463-I468 HydrophobicContact CB-CB 4.16Å; V463-I468 PolarHBondContact N-O 3.21Å; V463-I468 PolarHBondContact O-N 3.42Å; M466-I468 HydrophobicContact CB-CB 4.34Å; M466-I468 HydrophobicContact CB-CD1 3.8Å; M466-I468 HydrophobicContact CB-CG1 3.8Å; M466-I468 HydrophobicContact CE-CD1 3.62Å; M466-I468 PolarHBondContact O-N 3.31Å; M466-I468 VanDerWaalsContact O-N 3.15Å; M466-I468 HydrophobicContact SD-CD1 4.06Å; I468-D473 WeakPolarHBondContact CA-OD2 3.5Å; I468-R475 HydrophobicContact CG2-CB 4.18Å; I468-R475 WeakPolarHBondContact CG2-O 3.42Å
469V89Confident90.6Very high54 Ų5454.2 Ų54.233%0.32728%0.279SS..  trans-109.9113.7171177.90000107.8D462 L471 R472 D473D462-V469 WeakPolarHBondContact OD1-CA 3.37Å; V469-L471 VanDerWaalsContact C-N 3.34Å; V469-L471 PolarHBondContact O-N 2.79Å; V469-R472 HydrophobicContact CB-CB 3.88Å; V469-R472 HydrophobicContact CG1-CB 3.98Å; V469-R472 WeakPolarHBondContact O-CA 3.25Å; V469-R472 WeakPolarHBondContact O-CB 3.5Å; V469-R472 PolarHBondContact O-N 3.24Å; V469-D473 PolarHBondContact N-OD2 3.15Å; V469-D473 PolarHBondContact O-N 3.14Å
470A93.5Very high90.7Very high9 Ų952.9 Ų52.97%0.07427%0.274CS..Hα-helixtrans-58.6-42.6-164.500000114.1L460 D462 N474 R475L460-A470 HydrophobicContact CB-CB 3.9Å; L460-A470 WeakPolarHBondContact O-CB 3.46Å; D462-A470 WeakPolarHBondContact OD1-CB 3.27Å; D462-A470 PolarHBondContact OD1-N 3.46Å; A470-N474 VanDerWaalsContact O-CA 3.28Å; A470-N474 WeakPolarHBondContact O-CA 3.49Å; A470-N474 PolarHBondContact O-N 3.34Å; A470-R475 WeakPolarHBondContact CA-O 3.25Å
471L91.4Very high90.6Very high119 Ų11955.7 Ų55.762%0.62329%0.286SS*.Hα-helixtrans-72-29.2177.4-64.8177.9000113V469V469-L471 VanDerWaalsContact C-N 3.34Å; V469-L471 PolarHBondContact O-N 2.79Å
472R91.1Very high90.6Very high142 Ų14256.3 Ų56.354%0.53629%0.293SS..Hα-helixtrans-76.6-45.8178.6-174-169.672.2-166.3-1.5110.9D467 V469D467-R472 PolarHBondContact O-NH2 3.38Å; D467-R472 IonicContact OD1-NH1 2.79Å; V469-R472 HydrophobicContact CB-CB 3.88Å; V469-R472 HydrophobicContact CG1-CB 3.98Å; V469-R472 WeakPolarHBondContact O-CA 3.25Å; V469-R472 WeakPolarHBondContact O-CB 3.5Å; V469-R472 PolarHBondContact O-N 3.24Å
473D89.3Confident90.4Very high56 Ų5658 Ų5830%0.29930%0.297SS..Hα-helixtrans-101.8-7.3-166.4-56.9-40.2000113.5I468 V469 R475I468-D473 WeakPolarHBondContact CA-OD2 3.5Å; V469-D473 PolarHBondContact N-OD2 3.15Å; V469-D473 PolarHBondContact O-N 3.14Å; D473-R475 HydrophobicContact CB-CB 4.24Å; D473-R475 PolarHBondContact O-N 2.75Å
474N94.6Very high90.6Very high68 Ų6857.5 Ų57.536%0.36429%0.294SS..SBendtrans51.834.3-170.3-175.646.3000112.1A470 E513 W514A470-N474 VanDerWaalsContact O-CA 3.28Å; A470-N474 WeakPolarHBondContact O-CA 3.49Å; A470-N474 PolarHBondContact O-N 3.34Å; N474-E513 VanDerWaalsContact O-CA 3.3Å; N474-E513 WeakPolarHBondContact O-CA 3.48Å; N474-E513 VanDerWaalsContact O-CB 3.26Å; N474-E513 WeakPolarHBondContact O-CB 3.36Å; N474-W514 PolarHBondContact ND2-O 3.03Å; N474-W514 WeakPolarHBondContact OD1-CB 3.27Å
475R92.1Very high91.2Very high108 Ų10853.1 Ų53.141%0.40827%0.265SS..EExtended strand (participates in β ladder)trans-144.7141-176.7-77.8-178.5173.1-165.3-0.6109.7I468 A470 D473 G512 E513I468-R475 HydrophobicContact CG2-CB 4.18Å; I468-R475 WeakPolarHBondContact CG2-O 3.42Å; A470-R475 WeakPolarHBondContact CA-O 3.25Å; D473-R475 HydrophobicContact CB-CB 4.24Å; D473-R475 PolarHBondContact O-N 2.75Å; R475-G512 VanDerWaalsContact CA-O 3.31Å; R475-G512 WeakPolarHBondContact CA-O 3.15Å; R475-E513 HydrophobicContact CG-CB 3.94Å; R475-E513 IonicContact CZ-OE2 3.55Å; R475-E513 VanDerWaalsContact CZ-OE2 3.22Å; R475-E513 IonicContact NE-OE2 3.76Å; R475-E513 PolarHBondContact NE-OE2 2.93Å; R475-E513 IonicContact NH2-OE2 2.76Å; R475-E513 PolarHBondContact NH2-OE2 3.39Å
476G95.4Very high92.3Very high0 Ų046.1 Ų46.10%023%0.228CC..EExtended strand (participates in β ladder)trans177.4177.6177.700000111.9A461 I478 I511 G512A461-G476 CarbonylContact O-C 3.48Å; A461-G476 WeakPolarHBondContact O-CA 3.37Å; G476-I478 PolarHBondContact O-N 3.26Å; G476-I511 CarbonylContact O-C 3.5Å; G476-I511 VanDerWaalsContact O-CA 3.3Å; G476-I511 WeakPolarHBondContact O-CA 3.41Å; G476-G512 PolarHBondContact N-O 2.87Å; G476-G512 PolarHBondContact O-N 2.75Å
477E97.1Very high93.2Very high30 Ų3050.2 Ų50.214%0.1425%0.245CC..EExtended strand (participates in β ladder)trans-65.6130.8173-179.5177.4-151.400109.9L460 A461 V463 C479 H507 G509 D510 V526L460-E477 CarbonylContact C-O 3.53Å; L460-E477 VanDerWaalsContact CA-O 3.29Å; L460-E477 WeakPolarHBondContact CA-O 3.26Å; A461-E477 HydrophobicContact CB-CB 4.42Å; A461-E477 PolarHBondContact N-O 3.03Å; A461-E477 PolarHBondContact O-N 2.88Å; V463-E477 HydrophobicContact CG2-CB 4.03Å; E477-C479 PolarHBondContact O-N 3.46Å; E477-H507 WeakPolarHBondContact OE1-CB 3.4Å; E477-H507 IonicContact OE1-ND1 3.46Å; E477-H507 IonicContact OE2-CE1 3.6Å; E477-H507 IonicContact OE2-CG 2.64Å; E477-H507 IonicContact OE2-ND1 2.72Å; E477-H507 PolarHBondContact OE2-ND1 2.91Å; E477-G509 WeakPolarHBondContact OE1-CA 3.49Å; E477-G509 PolarHBondContact OE1-N 2.8Å; E477-D510 CarbonylContact C-O 3.29Å; E477-D510 WeakPolarHBondContact CA-O 3.3Å; E477-V526 HydrophobicContact CB-CG2 4.11Å; E477-V526 HydrophobicContact CG-CG2 4.06Å
478I98.3Very high93.9Very high0 Ų045.5 Ų45.50%022%0.22CC..EExtended strand (participates in β ladder)trans-72.3116.7175.1-62.7160000108Y427 V458 L460 G476 I480 T508 D510 L520 I522Y427-I478 HydrophobicContact CE1-CD1 4.29Å; Y427-I478 HydrophobicContact CE1-CG2 4.22Å; V458-I478 HydrophobicContact CG1-CG2 3.72Å; L460-I478 HydrophobicContact CD2-CG1 3.85Å; G476-I478 PolarHBondContact O-N 3.26Å; I478-I480 HydrophobicContact CG2-CD1 4.26Å; I478-I480 HydrophobicContact CG2-CG1 4.08Å; I478-T508 HydrophobicContact CB-CG2 4.46Å; I478-T508 HydrophobicContact CG2-CG2 4.18Å; I478-T508 VanDerWaalsContact O-CG2 3.31Å; I478-T508 WeakPolarHBondContact O-CG2 3.47Å; I478-T508 PolarHBondContact O-N 2.88Å; I478-T508 VanDerWaalsContact O-N 3.13Å; I478-T508 PolarHBondContact O-OG1 3.43Å; I478-D510 HydrophobicContact CD1-CB 4.01Å; I478-D510 PolarHBondContact N-O 3.4Å; I478-L520 HydrophobicContact CD1-CD1 4.22Å; I478-L520 HydrophobicContact CD1-CD2 4.03Å; I478-L520 HydrophobicContact CD1-CG 4.46Å; I478-L520 HydrophobicContact CG1-CD1 4.28Å; I478-L520 HydrophobicContact CG1-CD2 4.5Å; I478-L520 HydrophobicContact CG2-CD2 4.48Å; I478-I522 HydrophobicContact CD1-CD1 3.41Å; I478-I522 VanDerWaalsContact CD1-CD1 3.41Å
479C98.5Very high94.6Very high0 Ų045.3 Ų45.30%022%0.218CC..EExtended strand (participates in β ladder)trans-115.9133176-67.90000109.5V458 K459 A461 E477 W505 L506 H507V458-C479 WeakPolarHBondContact CA-O 3.25Å; K459-C479 HydrophobicContact CD-CB 4.44Å; K459-C479 HydrophobicContact CG-CB 3.73Å; K459-C479 PolarHBondContact N-O 2.72Å; K459-C479 PolarHBondContact O-N 2.84Å; A461-C479 VanDerWaalsContact CB-SG 3.58Å; E477-C479 PolarHBondContact O-N 3.46Å; C479-W505 HydrophobicContact CB-CB 4.15Å; C479-W505 HydrophobicContact CB-CD2 4.41Å; C479-W505 HydrophobicContact CB-CE3 3.96Å; C479-W505 HydrophobicContact CB-CG 4.5Å; C479-L506 CarbonylContact C-O 3.57Å; C479-L506 VanDerWaalsContact CA-O 3.29Å; C479-L506 WeakPolarHBondContact CA-O 3.36Å; C479-H507 VanDerWaalsContact SG-CE1 3.58Å; C479-H507 PolarHBondContact SG-ND1 3.49Å; C479-H507 VanDerWaalsContact SG-ND1 3.44Å
480I98.5Very high94.9Very high1 Ų143.7 Ų43.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-123.5134-172.9-55.3168.3000110.3V432 A436 I456 E457 V458 I478 C485 L506 T508V432-I480 HydrophobicContact CG1-CD1 4.34Å; V432-I480 HydrophobicContact CG1-CG2 3.96Å; V432-I480 HydrophobicContact CG2-CD1 3.8Å; A436-I480 HydrophobicContact CB-CD1 3.6Å; I456-I480 HydrophobicContact CB-CG2 4.32Å; I456-I480 HydrophobicContact CD1-CG2 3.91Å; E457-I480 WeakPolarHBondContact O-CA 3.38Å; V458-I480 HydrophobicContact CG1-CG1 4.23Å; V458-I480 HydrophobicContact CG2-CG1 4.11Å; V458-I480 HydrophobicContact CG2-CG2 4.39Å; I478-I480 HydrophobicContact CG2-CD1 4.26Å; I478-I480 HydrophobicContact CG2-CG1 4.08Å; I480-C485 PolarHBondContact O-SG 3.3Å; I480-C485 VanDerWaalsContact O-SG 3.4Å; I480-L506 PolarHBondContact N-O 2.94Å; I480-L506 VanDerWaalsContact O-CB 3.3Å; I480-L506 WeakPolarHBondContact O-CB 3.24Å; I480-L506 PolarHBondContact O-N 3Å; I480-T508 HydrophobicContact CD1-CG2 3.65Å; I480-T508 HydrophobicContact CG1-CG2 4.15Å
481K97.6Very high94.9Very high70 Ų7049.8 Ų49.830%0.30423%0.231SC..EExtended strand (participates in β ladder)trans-129.7133.3175.9-170.6-17977.8-158.30110.5I456 E457 W505I456-K481 WeakPolarHBondContact CA-O 3.48Å; E457-K481 PolarHBondContact N-O 2.82Å; E457-K481 PolarHBondContact O-N 3.4Å; E457-K481 WeakPolarHBondContact OE2-CE 3.33Å; E457-K481 IonicContact OE2-NZ 3.43Å; E457-K481 PolarHBondContact OE2-NZ 3.01Å; K481-W505 HydrophobicContact CB-CD2 3.94Å; K481-W505 HydrophobicContact CB-CE3 3.57Å; K481-W505 HydrophobicContact CB-CH2 4.15Å; K481-W505 HydrophobicContact CB-CZ2 4.49Å; K481-W505 HydrophobicContact CB-CZ3 3.68Å; K481-W505 HydrophobicContact CD-CD2 4.47Å; K481-W505 HydrophobicContact CD-CZ2 4.44Å
482G95.1Very high95Very high30 Ų3045.9 Ų45.931%0.30921%0.211SC..EExtended strand (participates in β ladder)trans158.3175.5175.700000112.3R484 C485G482-R484 PolarHBondContact O-N 2.95Å; G482-R484 VanDerWaalsContact O-N 3.07Å; G482-C485 WeakPolarHBondContact O-CB 3.37Å; G482-C485 PolarHBondContact O-N 2.85Å; G482-C485 VanDerWaalsContact O-N 3.12Å
483K91.3Very high95.1Very high122 Ų12243.6 Ų43.653%0.5322%0.215SC..THydrogen-bonded Turntrans-63-14.5-177.7-67.8-174.3-179.1-176.20113.8N261N261-K483 WeakPolarHBondContact CA-O 3.47Å; N261-K483 PolarHBondContact ND2-O 3.4Å
484R92.8Very high95.2Very high0 Ų047.9 Ų47.90%023%0.233CC..THydrogen-bonded Turntrans-76.8-22.8176.5-63.8175.567.51413.6113.6D264 T265 S268 V432 S433 V435 I456 G482D264-R484 HydrophobicContact CB-CG 3.87Å; D264-R484 WeakPolarHBondContact OD1-CD 3.25Å; D264-R484 WeakPolarHBondContact OD1-CG 3.37Å; T265-R484 VanDerWaalsContact CA-NH2 3.32Å; T265-R484 PolarHBondContact O-NH1 2.71Å; T265-R484 PolarHBondContact O-NH2 2.93Å; T265-R484 PolarHBondContact OG1-NE 2.85Å; T265-R484 PolarHBondContact OG1-NH2 2.93Å; S268-R484 PolarHBondContact OG-NH1 2.7Å; V432-R484 CarbonylContact C-O 3.53Å; V432-R484 VanDerWaalsContact C-O 3.28Å; V432-R484 HydrophobicContact CG1-CB 4.12Å; S433-R484 PolarHBondContact OG-O 3.21Å; V435-R484 PolarHBondContact O-NE 2.66Å; V435-R484 VanDerWaalsContact O-NE 3.14Å; V435-R484 PolarHBondContact O-NH2 2.82Å; I456-R484 HydrophobicContact CG2-CB 4.22Å; I456-R484 HydrophobicContact CG2-CG 4.1Å; G482-R484 PolarHBondContact O-N 2.95Å; G482-R484 VanDerWaalsContact O-N 3.07Å
485C97.4Very high95Very high16 Ų1645.2 Ų45.211%0.10822%0.22CC..SBendtrans-69.3136.7-179.1-63.80000110.5N261 E431 I480 G482 L506N261-C485 PolarHBondContact ND2-O 2.95Å; N261-C485 VanDerWaalsContact ND2-O 3.12Å; E431-C485 CarbonylContact O-C 3.29Å; E431-C485 WeakPolarHBondContact O-CA 3.28Å; I480-C485 PolarHBondContact O-SG 3.3Å; I480-C485 VanDerWaalsContact O-SG 3.4Å; G482-C485 WeakPolarHBondContact O-CB 3.37Å; G482-C485 PolarHBondContact O-N 2.85Å; G482-C485 VanDerWaalsContact O-N 3.12Å; C485-L506 HydrophobicContact CB-CB 4.29Å; C485-L506 HydrophobicContact CB-CD1 3.84Å
486T97.9Very high95.1Very high5 Ų541.3 Ų41.33%0.03121%0.208CC..  trans-58154.1173.9-177.50000111V255 M256 E431 G488 I500 L506V255-T486 HydrophobicContact CG1-CG2 4.15Å; M256-T486 WeakPolarHBondContact O-CB 3.33Å; M256-T486 PolarHBondContact O-OG1 3.4Å; E431-T486 HydrophobicContact CB-CG2 3.92Å; E431-T486 HydrophobicContact CG-CG2 4.24Å; E431-T486 WeakPolarHBondContact O-CB 3.25Å; E431-T486 WeakPolarHBondContact O-CG2 3.5Å; E431-T486 PolarHBondContact O-N 2.86Å; T486-G488 PolarHBondContact O-N 2.76Å; T486-G488 PolarHBondContact OG1-N 2.84Å; T486-G488 PolarHBondContact OG1-O 3.29Å; T486-I500 WeakPolarHBondContact O-CD1 3.15Å; T486-L506 HydrophobicContact CG2-CD1 3.89Å
487K92.7Very high95Very high103 Ų10346.5 Ų46.545%0.44824%0.239SC..  trans-78.2-6.6168.1-66.3176.4-176.3163.80112.7K237 M256 E260K237-K487 PolarHBondContact O-NZ 2.81Å; M256-K487 HydrophobicContact CE-CB 4.5Å; E260-K487 IonicContact OE1-NZ 3.67Å
488G96.3Very high94.7Very high0 Ų051.4 Ų51.40%026%0.262CS..  trans133.8-161.3178.200000113.9M256 T486M256-G488 PolarHBondContact N-O 3.22Å; M256-G488 VanDerWaalsContact N-O 3.1Å; T486-G488 PolarHBondContact O-N 2.76Å; T486-G488 PolarHBondContact OG1-N 2.84Å; T486-G488 PolarHBondContact OG1-O 3.29Å
489Y96.1Very high94.5Very high19 Ų1952.4 Ų52.48%0.07527%0.268CS..BIsolated β-bridgetrans-98.9134.6-179.5-62.3-68.6000111.5K253 G254 V255 E431 K491 D492 S495 T496 I499K253-Y489 HydrophobicContact CB-CD1 3.42Å; K253-Y489 VanDerWaalsContact CB-CD1 3.42Å; K253-Y489 HydrophobicContact CB-CE1 3.64Å; K253-Y489 HydrophobicContact CB-CG 3.97Å; K253-Y489 HydrophobicContact CD-CD1 4.21Å; K253-Y489 HydrophobicContact CD-CD2 4.11Å; K253-Y489 HydrophobicContact CD-CE1 4.05Å; K253-Y489 HydrophobicContact CD-CE2 3.97Å; K253-Y489 HydrophobicContact CD-CG 4.21Å; K253-Y489 HydrophobicContact CG-CD1 4.44Å; K253-Y489 HydrophobicContact CG-CE1 4.5Å; G254-Y489 CarbonylContact O-C 3.57Å; G254-Y489 WeakPolarHBondContact O-CA 3.42Å; V255-Y489 HydrophobicContact CG2-CD1 4.04Å; V255-Y489 HydrophobicContact CG2-CE1 3.65Å; E431-Y489 HydrophobicContact CG-CE1 4.17Å; E431-Y489 PolarHBondContact OE1-OH 3.12Å; Y489-K491 PolarHBondContact O-N 3.08Å; Y489-D492 PolarHBondContact O-N 3.25Å; Y489-S495 VanDerWaalsContact CD2-CB 3.46Å; Y489-T496 PolarHBondContact N-OG1 3.06Å; Y489-I499 HydrophobicContact CD2-CG2 4.47Å; Y489-I499 HydrophobicContact CE2-CB 4.36Å; Y489-I499 HydrophobicContact CE2-CD1 4.36Å; Y489-I499 HydrophobicContact CE2-CG2 3.85Å; Y489-I499 WeakPolarHBondContact OH-CD1 3.48Å
490F95.5Very high94.4Very high20 Ų2054.4 Ų54.49%0.08828%0.278CS..THydrogen-bonded Turntrans-61.3121.6-179.1-179.5-112.3000110.7F121 Q164 T165 I242 G254 M256 D492F121-F490 HydrophobicContact CE1-CE2 4.5Å; F121-F490 HydrophobicContact CE2-CE1 4.38Å; F121-F490 HydrophobicContact CE2-CE2 4.06Å; F121-F490 AromaticContact CE2-CZ 3.53Å; F121-F490 HydrophobicContact CE2-CZ 3.53Å; F121-F490 AromaticContact CZ-CE2 3.57Å; F121-F490 HydrophobicContact CZ-CE2 3.57Å; F121-F490 AromaticContact CZ-CZ 3.55Å; F121-F490 HydrophobicContact CZ-CZ 3.55Å; Q164-F490 HydrophobicContact CG-CD1 4.21Å; Q164-F490 HydrophobicContact CG-CE1 4.29Å; Q164-F490 PolarHBondContact NE2-O 3.3Å; T165-F490 HydrophobicContact CG2-CE1 4.3Å; I242-F490 HydrophobicContact CD1-CB 4.33Å; I242-F490 HydrophobicContact CD1-CD1 4.19Å; I242-F490 HydrophobicContact CD1-CD2 3.72Å; I242-F490 HydrophobicContact CD1-CE1 4.44Å; I242-F490 HydrophobicContact CD1-CE2 4.01Å; I242-F490 HydrophobicContact CD1-CG 3.81Å; I242-F490 HydrophobicContact CD1-CZ 4.35Å; I242-F490 HydrophobicContact CG2-CB 4.09Å; I242-F490 HydrophobicContact CG2-CG 4.45Å; G254-F490 WeakPolarHBondContact O-CB 3.37Å; G254-F490 PolarHBondContact O-N 2.78Å; M256-F490 HydrophobicContact CG-CB 3.84Å; M256-F490 HydrophobicContact SD-CB 4.27Å; M256-F490 HydrophobicContact SD-CD2 4.23Å; F490-D492 PolarHBondContact O-N 2.91Å
491K93.8Very high94.2Very high136 Ų13656.5 Ų56.559%0.59129%0.289SS*.THydrogen-bonded Turntrans51.932.6-176.8-62.5-178.8178.4172.60113.7Q164 Y489Q164-K491 HydrophobicContact CG-CB 4.26Å; Q164-K491 HydrophobicContact CG-CD 4.13Å; Q164-K491 PolarHBondContact O-NZ 2.95Å; Y489-K491 PolarHBondContact O-N 3.08Å
492D93.2Very high94Very high37 Ų3760.2 Ų60.220%0.19832%0.317CS..BIsolated β-bridgetrans-140.775.3177.4-174.3-7000110.6Y489 F490 E494 S495 T496Y489-D492 PolarHBondContact O-N 3.25Å; F490-D492 PolarHBondContact O-N 2.91Å; D492-E494 VanDerWaalsContact C-N 3.29Å; D492-E494 PolarHBondContact O-N 2.64Å; D492-S495 VanDerWaalsContact CG-OG 3.22Å; D492-S495 VanDerWaalsContact OD1-CB 3.29Å; D492-S495 WeakPolarHBondContact OD1-CB 3.08Å; D492-S495 PolarHBondContact OD1-N 3.28Å; D492-S495 PolarHBondContact OD1-OG 2.95Å; D492-S495 VanDerWaalsContact OD1-OG 3.13Å; D492-S495 WeakPolarHBondContact OD2-CB 3.15Å; D492-S495 PolarHBondContact OD2-OG 3.06Å; D492-T496 WeakPolarHBondContact O-CB 3.18Å; D492-T496 PolarHBondContact O-N 2.88Å; D492-T496 PolarHBondContact O-OG1 2.97Å
493P94.3Very high94Very high94 Ų9464.2 Ų64.261%0.6133%0.331SS*.Hα-helixtrans-66.8-30.6-179.527.4-34.1000112.3T496 V497P493-T496 WeakPolarHBondContact O-CB 3.49Å; P493-T496 PolarHBondContact O-N 2.78Å; P493-V497 PolarHBondContact O-N 3.43Å
494E91.4Very high94.1Very high146 Ų14659.9 Ų59.968%0.68232%0.322SS*.Hα-helixtrans-64.5-48.4179.5-66.7-177.2-177.300111.4D492 T496 V497 Q498D492-E494 VanDerWaalsContact C-N 3.29Å; D492-E494 PolarHBondContact O-N 2.64Å; E494-T496 PolarHBondContact O-N 2.73Å; E494-V497 VanDerWaalsContact O-CG2 3.26Å; E494-V497 WeakPolarHBondContact O-CG2 3.38Å; E494-Q498 VanDerWaalsContact O-CG 3.31Å; E494-Q498 WeakPolarHBondContact O-CG 3.29Å; E494-Q498 PolarHBondContact O-N 3.2Å
495S90.5Very high94.3Very high13 Ų1360.5 Ų60.59%0.09132%0.324CS..Hα-helixtrans-68.4-27.1174.2-64.80000112.4K253 Y489 D492 Q498 I499K253-S495 WeakPolarHBondContact CE-OG 3.44Å; K253-S495 PolarHBondContact NZ-OG 2.83Å; Y489-S495 VanDerWaalsContact CD2-CB 3.46Å; D492-S495 VanDerWaalsContact CG-OG 3.22Å; D492-S495 VanDerWaalsContact OD1-CB 3.29Å; D492-S495 WeakPolarHBondContact OD1-CB 3.08Å; D492-S495 PolarHBondContact OD1-N 3.28Å; D492-S495 PolarHBondContact OD1-OG 2.95Å; D492-S495 VanDerWaalsContact OD1-OG 3.13Å; D492-S495 WeakPolarHBondContact OD2-CB 3.15Å; D492-S495 PolarHBondContact OD2-OG 3.06Å; S495-Q498 PolarHBondContact O-N 3.33Å; S495-I499 PolarHBondContact O-N 3.47Å
496T94.1Very high94.4Very high25 Ų2559.8 Ų59.815%0.15332%0.319CS..Hα-helixtrans-67.4-47.9-180-630000111.4Y489 D492 P493 E494 Q498 I499 I500Y489-T496 PolarHBondContact N-OG1 3.06Å; D492-T496 WeakPolarHBondContact O-CB 3.18Å; D492-T496 PolarHBondContact O-N 2.88Å; D492-T496 PolarHBondContact O-OG1 2.97Å; P493-T496 WeakPolarHBondContact O-CB 3.49Å; P493-T496 PolarHBondContact O-N 2.78Å; E494-T496 PolarHBondContact O-N 2.73Å; T496-Q498 PolarHBondContact O-N 3.17Å; T496-I499 PolarHBondContact O-N 3.27Å; T496-I500 PolarHBondContact O-N 3.23Å; T496-I500 VanDerWaalsContact O-N 3.11Å
497V93.3Very high94.3Very high109 Ų10961.6 Ų61.666%0.66133%0.327SS*.Hα-helixtrans-69-17.7178.2-60.80000113P493 E494P493-V497 PolarHBondContact O-N 3.43Å; E494-V497 VanDerWaalsContact O-CG2 3.26Å; E494-V497 WeakPolarHBondContact O-CG2 3.38Å
498Q89.3Confident94.4Very high134 Ų13457.4 Ų57.463%0.62631%0.31SS*.Hα-helixtrans-79.1-26.2174.9-72.4172.615.200113.2E494 S495 T496E494-Q498 VanDerWaalsContact O-CG 3.31Å; E494-Q498 WeakPolarHBondContact O-CG 3.29Å; E494-Q498 PolarHBondContact O-N 3.2Å; S495-Q498 PolarHBondContact O-N 3.33Å; T496-Q498 PolarHBondContact O-N 3.17Å
499I94.1Very high94.2Very high21 Ų2158.3 Ų58.311%0.10832%0.32CS..Hα-helixtrans-101.6-22.5-177.2-156.6178.7000112.8E431 Y489 S495 T496 L506 H507E431-I499 HydrophobicContact CB-CD1 4.23Å; E431-I499 HydrophobicContact CG-CD1 3.81Å; Y489-I499 HydrophobicContact CD2-CG2 4.47Å; Y489-I499 HydrophobicContact CE2-CB 4.36Å; Y489-I499 HydrophobicContact CE2-CD1 4.36Å; Y489-I499 HydrophobicContact CE2-CG2 3.85Å; Y489-I499 WeakPolarHBondContact OH-CD1 3.48Å; S495-I499 PolarHBondContact O-N 3.47Å; T496-I499 PolarHBondContact O-N 3.27Å; I499-L506 HydrophobicContact CD1-CD2 4.19Å; I499-L506 HydrophobicContact CD1-CG 4.43Å; I499-L506 HydrophobicContact CG1-CD2 4.27Å; I499-L506 HydrophobicContact CG1-CG 4.24Å; I499-L506 CarbonylContact O-C 3.54Å; I499-L506 VanDerWaalsContact O-CA 3.29Å; I499-L506 WeakPolarHBondContact O-CA 3.18Å; I499-H507 WeakPolarHBondContact CG1-O 3.46Å; I499-H507 PolarHBondContact O-N 3.49Å
500I96.7Very high94Very high41 Ų4157.8 Ų57.821%0.2132%0.318CS..BIsolated β-bridgetrans-119.1118.8177.8-51.8175.7000109T486 T496 W505T486-I500 WeakPolarHBondContact O-CD1 3.15Å; T496-I500 PolarHBondContact O-N 3.23Å; T496-I500 VanDerWaalsContact O-N 3.11Å; I500-W505 WeakPolarHBondContact CA-O 3.36Å
501D94.8Very high93.8Very high45 Ų4557 Ų5724%0.24132%0.315CS..  trans-77.9176.2178.176.511.7000113D503 G504 W505 H507D501-D503 PolarHBondContact O-N 3.46Å; D501-D503 WeakPolarHBondContact OD1-CA 3.46Å; D501-D503 WeakPolarHBondContact OD1-CB 3.4Å; D501-D503 PolarHBondContact OD1-N 2.85Å; D501-G504 PolarHBondContact O-N 2.8Å; D501-G504 PolarHBondContact OD1-N 2.9Å; D501-W505 PolarHBondContact N-O 3.36Å; D501-W505 PolarHBondContact OD1-N 3.31Å; D501-W505 WeakPolarHBondContact OD2-CB 3.31Å; D501-H507 IonicContact OD2-NE2 3.18Å; D501-H507 PolarHBondContact OD2-NE2 3.33Å
502V94.1Very high93.9Very high148 Ų14850.5 Ų50.590%0.89729%0.286SS*.THydrogen-bonded Turntrans-64.8-21.6-179-62.40000113.8G504V502-G504 VanDerWaalsContact C-N 3.33Å
503D93.6Very high94Very high114 Ų11450.1 Ų50.161%0.6128%0.284SS*.THydrogen-bonded Turntrans-92.81.5178.3-68-34.5000111.8D501D501-D503 PolarHBondContact O-N 3.46Å; D501-D503 WeakPolarHBondContact OD1-CA 3.46Å; D501-D503 WeakPolarHBondContact OD1-CB 3.4Å; D501-D503 PolarHBondContact OD1-N 2.85Å
504G94.6Very high94.1Very high32 Ų3246.4 Ų46.433%0.3326%0.258SS..  trans8213.9178.500000114.5D501 V502D501-G504 PolarHBondContact O-N 2.8Å; D501-G504 PolarHBondContact OD1-N 2.9Å; V502-G504 VanDerWaalsContact C-N 3.33Å
505W97.4Very high94.3Very high13 Ų1340.9 Ų40.95%0.04923%0.234CC..  trans-77.7129.2173.6-65.294.9000110.8A44 E457 K459 C479 K481 I500 D501 H507A44-W505 HydrophobicContact CB-CH2 3.89Å; A44-W505 HydrophobicContact CB-CZ2 4.39Å; E457-W505 HydrophobicContact CB-CH2 3.75Å; E457-W505 HydrophobicContact CB-CZ3 4.01Å; K459-W505 HydrophobicContact CB-CH2 4.18Å; K459-W505 HydrophobicContact CB-CZ3 4.21Å; K459-W505 HydrophobicContact CD-CD2 3.86Å; K459-W505 HydrophobicContact CD-CE3 4.09Å; K459-W505 HydrophobicContact CD-CG 4.48Å; K459-W505 HydrophobicContact CD-CH2 4.04Å; K459-W505 HydrophobicContact CD-CZ2 3.8Å; K459-W505 HydrophobicContact CD-CZ3 4.18Å; K459-W505 VanDerWaalsContact CE-CD2 3.48Å; K459-W505 HydrophobicContact CG-CD2 4.21Å; K459-W505 HydrophobicContact CG-CE3 3.91Å; K459-W505 HydrophobicContact CG-CH2 4.04Å; K459-W505 HydrophobicContact CG-CZ2 4.32Å; K459-W505 HydrophobicContact CG-CZ3 3.83Å; C479-W505 HydrophobicContact CB-CB 4.15Å; C479-W505 HydrophobicContact CB-CD2 4.41Å; C479-W505 HydrophobicContact CB-CE3 3.96Å; C479-W505 HydrophobicContact CB-CG 4.5Å; K481-W505 HydrophobicContact CB-CD2 3.94Å; K481-W505 HydrophobicContact CB-CE3 3.57Å; K481-W505 HydrophobicContact CB-CH2 4.15Å; K481-W505 HydrophobicContact CB-CZ2 4.49Å; K481-W505 HydrophobicContact CB-CZ3 3.68Å; K481-W505 HydrophobicContact CD-CD2 4.47Å; K481-W505 HydrophobicContact CD-CZ2 4.44Å; I500-W505 WeakPolarHBondContact CA-O 3.36Å; D501-W505 PolarHBondContact N-O 3.36Å; D501-W505 PolarHBondContact OD1-N 3.31Å; D501-W505 WeakPolarHBondContact OD2-CB 3.31Å; W505-H507 PolarHBondContact O-CD2 3.37Å
506L98.2Very high94.4Very high1 Ų146.8 Ų46.81%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-86.5116.4170.6-168.5149.2000109.8E431 V432 C479 I480 C485 T486 I499 T508E431-L506 HydrophobicContact CB-CD1 3.98Å; E431-L506 HydrophobicContact CB-CD2 4.28Å; E431-L506 WeakPolarHBondContact O-CD1 3.3Å; V432-L506 HydrophobicContact CG2-CD2 4.11Å; C479-L506 CarbonylContact C-O 3.57Å; C479-L506 VanDerWaalsContact CA-O 3.29Å; C479-L506 WeakPolarHBondContact CA-O 3.36Å; I480-L506 PolarHBondContact N-O 2.94Å; I480-L506 VanDerWaalsContact O-CB 3.3Å; I480-L506 WeakPolarHBondContact O-CB 3.24Å; I480-L506 PolarHBondContact O-N 3Å; C485-L506 HydrophobicContact CB-CB 4.29Å; C485-L506 HydrophobicContact CB-CD1 3.84Å; T486-L506 HydrophobicContact CG2-CD1 3.89Å; I499-L506 HydrophobicContact CD1-CD2 4.19Å; I499-L506 HydrophobicContact CD1-CG 4.43Å; I499-L506 HydrophobicContact CG1-CD2 4.27Å; I499-L506 HydrophobicContact CG1-CG 4.24Å; I499-L506 CarbonylContact O-C 3.54Å; I499-L506 VanDerWaalsContact O-CA 3.29Å; I499-L506 WeakPolarHBondContact O-CA 3.18Å; L506-T508 HydrophobicContact CD2-CG2 4.28Å
507H96.9Very high94.4Very high43 Ų4347.4 Ų47.420%0.19927%0.27CS..EExtended strand (participates in β ladder)trans-81.5114.1177.2-72.2-99.3000110.3E477 C479 I499 D501 W505 G509E477-H507 WeakPolarHBondContact OE1-CB 3.4Å; E477-H507 IonicContact OE1-ND1 3.46Å; E477-H507 IonicContact OE2-CE1 3.6Å; E477-H507 IonicContact OE2-CG 2.64Å; E477-H507 IonicContact OE2-ND1 2.72Å; E477-H507 PolarHBondContact OE2-ND1 2.91Å; C479-H507 VanDerWaalsContact SG-CE1 3.58Å; C479-H507 PolarHBondContact SG-ND1 3.49Å; C479-H507 VanDerWaalsContact SG-ND1 3.44Å; I499-H507 WeakPolarHBondContact CG1-O 3.46Å; I499-H507 PolarHBondContact O-N 3.49Å; D501-H507 IonicContact OD2-NE2 3.18Å; D501-H507 PolarHBondContact OD2-NE2 3.33Å; W505-H507 PolarHBondContact O-CD2 3.37Å; H507-G509 VanDerWaalsContact C-N 3.32Å
508T94.9Very high94.5Very high14 Ų1442.2 Ų42.29%0.08624%0.239CC..EExtended strand (participates in β ladder)trans-80.1-17.3-175.967.20000113.2Y427 I478 I480 L506 D510 R525Y427-T508 VanDerWaalsContact OH-CB 3.29Å; Y427-T508 WeakPolarHBondContact OH-CB 3.33Å; Y427-T508 WeakPolarHBondContact OH-CG2 2.98Å; Y427-T508 PolarHBondContact OH-OG1 2.75Å; I478-T508 HydrophobicContact CB-CG2 4.46Å; I478-T508 HydrophobicContact CG2-CG2 4.18Å; I478-T508 VanDerWaalsContact O-CG2 3.31Å; I478-T508 WeakPolarHBondContact O-CG2 3.47Å; I478-T508 PolarHBondContact O-N 2.88Å; I478-T508 VanDerWaalsContact O-N 3.13Å; I478-T508 PolarHBondContact O-OG1 3.43Å; I480-T508 HydrophobicContact CD1-CG2 3.65Å; I480-T508 HydrophobicContact CG1-CG2 4.15Å; L506-T508 HydrophobicContact CD2-CG2 4.28Å; T508-D510 PolarHBondContact O-N 3.45Å; T508-D510 WeakPolarHBondContact OG1-CB 3.4Å; T508-D510 PolarHBondContact OG1-N 2.9Å; T508-D510 VanDerWaalsContact OG1-N 3.09Å; T508-R525 PolarHBondContact O-NH1 2.91Å; T508-R525 VanDerWaalsContact O-NH1 3.14Å
509G91.1Very high94.8Very high20 Ų2035.8 Ų35.821%0.20621%0.209CC..EExtended strand (participates in β ladder)trans68.510.3-168.200000114.1E477 H507 R525 V526E477-G509 WeakPolarHBondContact OE1-CA 3.49Å; E477-G509 PolarHBondContact OE1-N 2.8Å; H507-G509 VanDerWaalsContact C-N 3.32Å; G509-R525 CarbonylContact O-C 3.52Å; G509-R525 WeakPolarHBondContact O-CA 3.43Å; G509-R525 WeakPolarHBondContact O-CD 3.45Å; G509-V526 PolarHBondContact O-N 3.08Å
510D92.1Very high94.9Very high8 Ų835 Ų354%0.04321%0.205CC..EExtended strand (participates in β ladder)trans-101.7140.1175.1-64.6-64.5000110.4Y427 E477 I478 T508 D524 R525Y427-D510 HydrophobicContact CE2-CB 4.44Å; Y427-D510 WeakPolarHBondContact CE2-OD2 3.38Å; Y427-D510 WeakPolarHBondContact OH-CB 3.25Å; Y427-D510 PolarHBondContact OH-OD2 3.25Å; E477-D510 CarbonylContact C-O 3.29Å; E477-D510 WeakPolarHBondContact CA-O 3.3Å; I478-D510 HydrophobicContact CD1-CB 4.01Å; I478-D510 PolarHBondContact N-O 3.4Å; T508-D510 PolarHBondContact O-N 3.45Å; T508-D510 WeakPolarHBondContact OG1-CB 3.4Å; T508-D510 PolarHBondContact OG1-N 2.9Å; T508-D510 VanDerWaalsContact OG1-N 3.09Å; D510-D524 CarbonylContact C-O 3.58Å; D510-D524 WeakPolarHBondContact CA-O 3.5Å; D510-R525 VanDerWaalsContact CG-CZ 3.47Å; D510-R525 VanDerWaalsContact CG-NH2 3.31Å; D510-R525 WeakPolarHBondContact OD1-CD 3.3Å; D510-R525 IonicContact OD1-CZ 2.8Å; D510-R525 IonicContact OD1-NE 2.93Å; D510-R525 PolarHBondContact OD1-NE 3.1Å; D510-R525 IonicContact OD1-NH1 3.91Å; D510-R525 IonicContact OD1-NH2 3.7Å; D510-R525 PolarHBondContact OD1-NH2 3.33Å; D510-R525 IonicContact OD2-CZ 2.75Å; D510-R525 IonicContact OD2-NH1 2.75Å; D510-R525 IonicContact OD2-NH2 3.22Å; D510-R525 PolarHBondContact OD2-NH2 3.39Å
511I91.5Very high94.8Very high2 Ų236.6 Ų36.61%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-88.7130.5171.1-58.4-62.2000109.4V463 G476 V523 D524 V526 I529V463-I511 HydrophobicContact CG2-CD1 3.76Å; G476-I511 CarbonylContact O-C 3.5Å; G476-I511 VanDerWaalsContact O-CA 3.3Å; G476-I511 WeakPolarHBondContact O-CA 3.41Å; I511-V523 HydrophobicContact CB-CB 4.16Å; I511-V523 HydrophobicContact CG2-CB 3.9Å; I511-V523 HydrophobicContact CG2-CG1 4.37Å; I511-V523 HydrophobicContact CG2-CG2 4.2Å; I511-V523 PolarHBondContact O-N 2.82Å; I511-D524 PolarHBondContact N-O 3.17Å; I511-V526 HydrophobicContact CD1-CB 4.45Å; I511-V526 HydrophobicContact CD1-CG2 3.52Å; I511-V526 HydrophobicContact CG1-CG2 4.12Å; I511-I529 HydrophobicContact CB-CD1 4.48Å; I511-I529 HydrophobicContact CG1-CD1 3.75Å
512G95.5Very high94.6Very high0 Ų036.5 Ų36.50%021%0.209CC..EExtended strand (participates in β ladder)trans-119.9160.9176.100000112.9L460 R475 G476 K521L460-G512 WeakPolarHBondContact CD1-O 3.08Å; R475-G512 VanDerWaalsContact CA-O 3.31Å; R475-G512 WeakPolarHBondContact CA-O 3.15Å; G476-G512 PolarHBondContact N-O 2.87Å; G476-G512 PolarHBondContact O-N 2.75Å; G512-K521 CarbonylContact C-O 3.53Å; G512-K521 VanDerWaalsContact CA-O 3.27Å; G512-K521 WeakPolarHBondContact CA-O 3.27Å
513E95.6Very high94Very high30 Ų3031.1 Ų31.114%0.1418%0.177CC..EExtended strand (participates in β ladder)trans-134.3148165.766.7-174.3-171.100110.1N474 R475 K521 V523N474-E513 VanDerWaalsContact O-CA 3.3Å; N474-E513 WeakPolarHBondContact O-CA 3.48Å; N474-E513 VanDerWaalsContact O-CB 3.26Å; N474-E513 WeakPolarHBondContact O-CB 3.36Å; R475-E513 HydrophobicContact CG-CB 3.94Å; R475-E513 IonicContact CZ-OE2 3.55Å; R475-E513 VanDerWaalsContact CZ-OE2 3.22Å; R475-E513 IonicContact NE-OE2 3.76Å; R475-E513 PolarHBondContact NE-OE2 2.93Å; R475-E513 IonicContact NH2-OE2 2.76Å; R475-E513 PolarHBondContact NH2-OE2 3.39Å; E513-K521 HydrophobicContact CG-CB 3.87Å; E513-K521 HydrophobicContact CG-CD 4.3Å; E513-K521 HydrophobicContact CG-CG 4.13Å; E513-K521 PolarHBondContact N-O 2.66Å; E513-K521 PolarHBondContact O-N 3.46Å; E513-K521 VanDerWaalsContact OE1-CD 3.28Å; E513-K521 WeakPolarHBondContact OE1-CD 3.2Å; E513-K521 WeakPolarHBondContact OE1-CE 3.44Å; E513-K521 IonicContact OE1-NZ 3.17Å; E513-K521 PolarHBondContact OE1-NZ 3.28Å; E513-V523 HydrophobicContact CB-CG2 4.28Å; E513-V523 HydrophobicContact CG-CG2 4.01Å
514W96.5Very high93.3Very high16 Ų1625.7 Ų25.76%0.06115%0.148CC..EExtended strand (participates in β ladder)trans-89.9139.8174.4-60.4110.1000111.2R45 I452 V458 L460 N474 A519 L520R45-W514 HydrophobicContact CB-CH2 4.33Å; R45-W514 HydrophobicContact CB-CZ2 4.26Å; R45-W514 HydrophobicContact CG-CZ2 4.22Å; I452-W514 HydrophobicContact CD1-CH2 3.57Å; I452-W514 HydrophobicContact CD1-CZ2 4.43Å; I452-W514 HydrophobicContact CD1-CZ3 4.06Å; I452-W514 HydrophobicContact CG1-CH2 3.87Å; I452-W514 HydrophobicContact CG1-CZ3 4.07Å; V458-W514 HydrophobicContact CB-CH2 4.18Å; V458-W514 HydrophobicContact CB-CZ2 4.49Å; V458-W514 HydrophobicContact CG1-CH2 4.06Å; V458-W514 HydrophobicContact CG1-CZ2 4.23Å; L460-W514 VanDerWaalsContact CD1-CD1 3.49Å; L460-W514 HydrophobicContact CD1-CG 4.33Å; L460-W514 HydrophobicContact CG-CZ2 4.44Å; N474-W514 PolarHBondContact ND2-O 3.03Å; N474-W514 WeakPolarHBondContact OD1-CB 3.27Å; W514-A519 WeakPolarHBondContact CA-O 3.28Å; W514-L520 HydrophobicContact CE3-CB 4.29Å; W514-L520 HydrophobicContact CE3-CD1 4.25Å; W514-L520 HydrophobicContact CH2-CB 4.42Å; W514-L520 HydrophobicContact CH2-CD1 4.03Å; W514-L520 HydrophobicContact CZ2-CD1 4.44Å; W514-L520 HydrophobicContact CZ3-CB 3.77Å; W514-L520 HydrophobicContact CZ3-CD1 3.97Å; W514-L520 HydrophobicContact CZ3-CG 4.41Å
515T95.4Very high92.6Very high29 Ų2928.3 Ų28.318%0.17815%0.148CC..  trans-79.3169.2163.979.10000111.3T448 E517 G518 A519T448-T515 HydrophobicContact CG2-CG2 3.83Å; T515-E517 VanDerWaalsContact CB-OE2 3.24Å; T515-E517 WeakPolarHBondContact CB-OE2 3.32Å; T515-E517 PolarHBondContact O-N 2.7Å; T515-E517 PolarHBondContact OG1-N 3.29Å; T515-E517 PolarHBondContact OG1-OE2 2.91Å; T515-G518 PolarHBondContact O-N 3.19Å; T515-A519 HydrophobicContact CG2-CB 3.95Å; T515-A519 PolarHBondContact N-O 3.15Å; T515-A519 WeakPolarHBondContact OG1-CB 3.14Å; T515-A519 PolarHBondContact OG1-N 2.79Å; T515-A519 VanDerWaalsContact OG1-N 3.1Å
516T92.7Very high91.6Very high137 Ų13729.6 Ų29.684%0.8416%0.157SC*.THydrogen-bonded Turntrans-60.1-31.4175.333.10000112.9G518T516-G518 VanDerWaalsContact C-N 3.27Å; T516-G518 PolarHBondContact O-N 2.66Å
517E93.3Very high90.4Very high38 Ų3837.1 Ų37.118%0.17819%0.19CC..THydrogen-bonded Turntrans-81.2-8177.6-52.966.6-138.900112Q34 T515Q34-E517 WeakPolarHBondContact CB-O 3.46Å; Q34-E517 PolarHBondContact N-O 3.07Å; T515-E517 VanDerWaalsContact CB-OE2 3.24Å; T515-E517 WeakPolarHBondContact CB-OE2 3.32Å; T515-E517 PolarHBondContact O-N 2.7Å; T515-E517 PolarHBondContact OG1-N 3.29Å; T515-E517 PolarHBondContact OG1-OE2 2.91Å
518G95.3Very high89.3Confident0 Ų035.8 Ų35.80%019%0.185CC..SBendtrans82.920.7-175.700000114.4S35 T515 T516S35-G518 WeakPolarHBondContact CB-O 3.28Å; S35-G518 PolarHBondContact N-O 3.15Å; S35-G518 PolarHBondContact OG-O 3.3Å; T515-G518 PolarHBondContact O-N 3.19Å; T516-G518 VanDerWaalsContact C-N 3.27Å; T516-G518 PolarHBondContact O-N 2.66Å
519A96.2Very high88.4Confident0 Ų036.2 Ų36.20%019%0.186CC..  trans-75.6147.6167.900000110Q34 T448 G450 W514 T515Q34-A519 VanDerWaalsContact OE1-CB 3.27Å; T448-A519 HydrophobicContact CG2-CB 4.35Å; G450-A519 WeakPolarHBondContact O-CA 3.23Å; W514-A519 WeakPolarHBondContact CA-O 3.28Å; T515-A519 HydrophobicContact CG2-CB 3.95Å; T515-A519 PolarHBondContact N-O 3.15Å; T515-A519 WeakPolarHBondContact OG1-CB 3.14Å; T515-A519 PolarHBondContact OG1-N 2.79Å; T515-A519 VanDerWaalsContact OG1-N 3.1Å
520L97.3Very high87.9Confident3 Ų335.9 Ų35.92%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-86.1138.8171.6-17663.3000109.8Y427 V449 G450 L460 I478 W514 I522Y427-L520 HydrophobicContact CD1-CD2 4.13Å; Y427-L520 HydrophobicContact CE1-CD2 4.42Å; V449-L520 HydrophobicContact CG2-CB 3.93Å; V449-L520 HydrophobicContact CG2-CD2 4.12Å; V449-L520 HydrophobicContact CG2-CG 3.94Å; V449-L520 VanDerWaalsContact CG2-O 3.22Å; V449-L520 WeakPolarHBondContact CG2-O 3.39Å; V449-L520 PolarHBondContact N-O 3.14Å; G450-L520 PolarHBondContact N-O 3.31Å; G450-L520 PolarHBondContact O-N 3.45Å; L460-L520 HydrophobicContact CD2-CD1 4.48Å; I478-L520 HydrophobicContact CD1-CD1 4.22Å; I478-L520 HydrophobicContact CD1-CD2 4.03Å; I478-L520 HydrophobicContact CD1-CG 4.46Å; I478-L520 HydrophobicContact CG1-CD1 4.28Å; I478-L520 HydrophobicContact CG1-CD2 4.5Å; I478-L520 HydrophobicContact CG2-CD2 4.48Å; W514-L520 HydrophobicContact CE3-CB 4.29Å; W514-L520 HydrophobicContact CE3-CD1 4.25Å; W514-L520 HydrophobicContact CH2-CB 4.42Å; W514-L520 HydrophobicContact CH2-CD1 4.03Å; W514-L520 HydrophobicContact CZ2-CD1 4.44Å; W514-L520 HydrophobicContact CZ3-CB 3.77Å; W514-L520 HydrophobicContact CZ3-CD1 3.97Å; W514-L520 HydrophobicContact CZ3-CG 4.41Å; L520-I522 HydrophobicContact CD2-CD1 4.12Å; L520-I522 HydrophobicContact CG-CD1 4.25Å
521K93.7Very high86.9Confident75 Ų7539.4 Ų39.433%0.32619%0.194SC..EExtended strand (participates in β ladder)trans-124.4131.9169.1172.7166.6167.6-141.60109.6G512 E513G512-K521 CarbonylContact C-O 3.53Å; G512-K521 VanDerWaalsContact CA-O 3.27Å; G512-K521 WeakPolarHBondContact CA-O 3.27Å; E513-K521 HydrophobicContact CG-CB 3.87Å; E513-K521 HydrophobicContact CG-CD 4.3Å; E513-K521 HydrophobicContact CG-CG 4.13Å; E513-K521 PolarHBondContact N-O 2.66Å; E513-K521 PolarHBondContact O-N 3.46Å; E513-K521 VanDerWaalsContact OE1-CD 3.28Å; E513-K521 WeakPolarHBondContact OE1-CD 3.2Å; E513-K521 WeakPolarHBondContact OE1-CE 3.44Å; E513-K521 IonicContact OE1-NZ 3.17Å; E513-K521 PolarHBondContact OE1-NZ 3.28Å
522I90.5Very high86.1Confident44 Ų4439.4 Ų39.423%0.22619%0.194CC..EExtended strand (participates in β ladder)trans-84.2131.1177.4-50.6-55000108.6Y427 V449 I478 L520Y427-I522 HydrophobicContact CD1-CD1 4.03Å; Y427-I522 HydrophobicContact CD2-CD1 3.6Å; Y427-I522 HydrophobicContact CD2-CG1 3.83Å; Y427-I522 HydrophobicContact CE1-CD1 4.16Å; Y427-I522 HydrophobicContact CE2-CD1 3.74Å; Y427-I522 HydrophobicContact CE2-CG1 4.27Å; Y427-I522 HydrophobicContact CG-CD1 3.75Å; Y427-I522 HydrophobicContact CG-CG1 4.19Å; V449-I522 HydrophobicContact CG1-CG1 3.9Å; V449-I522 HydrophobicContact CG2-CD1 3.86Å; V449-I522 HydrophobicContact CG2-CG1 3.8Å; I478-I522 HydrophobicContact CD1-CD1 3.41Å; I478-I522 VanDerWaalsContact CD1-CD1 3.41Å; L520-I522 HydrophobicContact CD2-CD1 4.12Å; L520-I522 HydrophobicContact CG-CD1 4.25Å
523V82.2Confident85Confident34 Ų3442.4 Ų42.421%0.20622%0.219CC..EExtended strand (participates in β ladder)trans-97.9-61-179.4-179.10000110.4I511 E513I511-V523 HydrophobicContact CB-CB 4.16Å; I511-V523 HydrophobicContact CG2-CB 3.9Å; I511-V523 HydrophobicContact CG2-CG1 4.37Å; I511-V523 HydrophobicContact CG2-CG2 4.2Å; I511-V523 PolarHBondContact O-N 2.82Å; E513-V523 HydrophobicContact CB-CG2 4.28Å; E513-V523 HydrophobicContact CG-CG2 4.01Å
524D77.6Confident83.8Confident1 Ų145 Ų451%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-169.6-162.9178.3-150-57.7000109.2D510 I511 S528 I529 A539 P540 E541D510-D524 CarbonylContact C-O 3.58Å; D510-D524 WeakPolarHBondContact CA-O 3.5Å; I511-D524 PolarHBondContact N-O 3.17Å; D524-S528 WeakPolarHBondContact OD1-CB 3.3Å; D524-I529 HydrophobicContact CB-CD1 3.92Å; D524-I529 HydrophobicContact CB-CG1 3.76Å; D524-A539 HydrophobicContact CB-CB 3.72Å; D524-A539 WeakPolarHBondContact OD2-CA 3.33Å; D524-A539 WeakPolarHBondContact OD2-CB 3.19Å; D524-P540 VanDerWaalsContact OD2-CD 3.29Å; D524-P540 WeakPolarHBondContact OD2-CD 3.5Å; D524-P540 VanDerWaalsContact OD2-N 3.15Å; D524-E541 WeakPolarHBondContact OD2-CB 3.49Å; D524-E541 PolarHBondContact OD2-N 2.83Å
525R80Confident82Confident87 Ų8745.6 Ų45.633%0.32824%0.242SC..EExtended strand (participates in β ladder)trans-100.4139.3172.3-69.6-84.4179-177.8-26.7111.3T508 G509 D510 K527 S528 I529T508-R525 PolarHBondContact O-NH1 2.91Å; T508-R525 VanDerWaalsContact O-NH1 3.14Å; G509-R525 CarbonylContact O-C 3.52Å; G509-R525 WeakPolarHBondContact O-CA 3.43Å; G509-R525 WeakPolarHBondContact O-CD 3.45Å; D510-R525 VanDerWaalsContact CG-CZ 3.47Å; D510-R525 VanDerWaalsContact CG-NH2 3.31Å; D510-R525 WeakPolarHBondContact OD1-CD 3.3Å; D510-R525 IonicContact OD1-CZ 2.8Å; D510-R525 IonicContact OD1-NE 2.93Å; D510-R525 PolarHBondContact OD1-NE 3.1Å; D510-R525 IonicContact OD1-NH1 3.91Å; D510-R525 IonicContact OD1-NH2 3.7Å; D510-R525 PolarHBondContact OD1-NH2 3.33Å; D510-R525 IonicContact OD2-CZ 2.75Å; D510-R525 IonicContact OD2-NH1 2.75Å; D510-R525 IonicContact OD2-NH2 3.22Å; D510-R525 PolarHBondContact OD2-NH2 3.39Å; R525-K527 PolarHBondContact O-N 2.82Å; R525-K527 VanDerWaalsContact O-N 3.12Å; R525-S528 WeakPolarHBondContact CB-OG 3Å; R525-S528 PolarHBondContact O-N 2.87Å; R525-I529 WeakPolarHBondContact O-CG1 3.27Å; R525-I529 PolarHBondContact O-N 3.41Å
526V76.7Confident80.8Confident39 Ų3948.1 Ų48.124%0.23625%0.252CS..THydrogen-bonded Turntrans-49.3-44.3176.6176.70000111.5V463 E477 G509 I511V463-V526 HydrophobicContact CG1-CG1 4.05Å; E477-V526 HydrophobicContact CB-CG2 4.11Å; E477-V526 HydrophobicContact CG-CG2 4.06Å; G509-V526 PolarHBondContact O-N 3.08Å; I511-V526 HydrophobicContact CD1-CB 4.45Å; I511-V526 HydrophobicContact CD1-CG2 3.52Å; I511-V526 HydrophobicContact CG1-CG2 4.12Å
527K72.8Confident79.9Confident160 Ų16044.6 Ų44.670%0.69622%0.224SC*.THydrogen-bonded Turntrans-84.4-10.9-177.1-63.9-177.5179.5177.80114.8R525R525-K527 PolarHBondContact O-N 2.82Å; R525-K527 VanDerWaalsContact O-N 3.12Å
528S75Confident79.2Confident14 Ų1442.8 Ų42.810%0.09822%0.215CC..THydrogen-bonded Turntrans-92.1-32-178.7-66.30000112.3D524 R525 P540 R667D524-S528 WeakPolarHBondContact OD1-CB 3.3Å; R525-S528 WeakPolarHBondContact CB-OG 3Å; R525-S528 PolarHBondContact O-N 2.87Å; S528-P540 WeakPolarHBondContact O-CD 3.38Å; S528-P540 WeakPolarHBondContact O-CG 3.33Å; S528-R667 WeakPolarHBondContact OG-CD 3.36Å
529I75.4Confident78.7Confident24 Ų2443.4 Ų43.412%0.12322%0.22CC..  trans-63.5135.7-179.8-61169.4000109.7M466 I511 D524 R525 Y537 V538 A539M466-I529 HydrophobicContact CE-CB 3.87Å; M466-I529 HydrophobicContact CE-CD1 3.54Å; M466-I529 HydrophobicContact CE-CG1 4.28Å; M466-I529 HydrophobicContact CE-CG2 3.34Å; M466-I529 HydrophobicContact SD-CB 4.3Å; M466-I529 HydrophobicContact SD-CD1 4.01Å; M466-I529 HydrophobicContact SD-CG2 4.34Å; I511-I529 HydrophobicContact CB-CD1 4.48Å; I511-I529 HydrophobicContact CG1-CD1 3.75Å; D524-I529 HydrophobicContact CB-CD1 3.92Å; D524-I529 HydrophobicContact CB-CG1 3.76Å; R525-I529 WeakPolarHBondContact O-CG1 3.27Å; R525-I529 PolarHBondContact O-N 3.41Å; I529-Y537 HydrophobicContact CG2-CD1 4.08Å; I529-Y537 HydrophobicContact CG2-CG 4.47Å; I529-V538 WeakPolarHBondContact CG2-O 3.45Å; I529-A539 HydrophobicContact CG1-CB 4.48Å
530F79.7Confident78.4Confident12 Ų1243.4 Ų43.45%0.05322%0.22CC..EExtended strand (participates in β ladder)trans-118.5151.8173.553.5-105.6000110.8L532 Y537 V538 P540 V558 G560 P567F530-L532 HydrophobicContact CD2-CD2 4.02Å; F530-L532 HydrophobicContact CD2-CG 4.42Å; F530-L532 HydrophobicContact CE2-CD2 3.91Å; F530-L532 HydrophobicContact CE2-CG 4.37Å; F530-Y537 WeakPolarHBondContact O-CA 3.25Å; F530-V538 HydrophobicContact CD2-CB 3.88Å; F530-V538 HydrophobicContact CD2-CG1 4.49Å; F530-V538 HydrophobicContact CE1-CG1 4.48Å; F530-V538 HydrophobicContact CE2-CB 3.37Å; F530-V538 HydrophobicContact CE2-CG1 3.58Å; F530-V538 HydrophobicContact CE2-CG2 4.06Å; F530-V538 HydrophobicContact CZ-CB 3.89Å; F530-V538 HydrophobicContact CZ-CG1 3.57Å; F530-V538 PolarHBondContact N-O 2.87Å; F530-V538 PolarHBondContact O-N 2.93Å; F530-P540 HydrophobicContact CD1-CG 4.44Å; F530-P540 HydrophobicContact CE1-CB 3.86Å; F530-P540 HydrophobicContact CE1-CG 4.2Å; F530-V558 HydrophobicContact CE1-CG1 4.44Å; F530-V558 HydrophobicContact CZ-CG1 4.22Å; F530-G560 VanDerWaalsContact CD2-CA 3.45Å; F530-G560 VanDerWaalsContact CE1-N 3.34Å; F530-G560 VanDerWaalsContact CE2-CA 3.45Å; F530-P567 HydrophobicContact CE2-CB 4.18Å; F530-P567 HydrophobicContact CZ-CB 3.87Å
531K71.2Confident77.8Confident82 Ų8246 Ų4636%0.35723%0.233SC..EExtended strand (participates in β ladder)trans-94.3142.8173.4-164.2177.1-169.7155.40109.3G535 E536 Y537 K561 P562K531-G535 VanDerWaalsContact CE-CA 3.44Å; K531-G535 WeakPolarHBondContact CE-O 3.11Å; K531-E536 WeakPolarHBondContact CA-O 3.37Å; K531-Y537 HydrophobicContact CB-CD1 3.97Å; K531-Y537 HydrophobicContact CB-CE1 3.77Å; K531-Y537 HydrophobicContact CD-CE1 3.91Å; K531-Y537 HydrophobicContact CD-CE2 4.19Å; K531-Y537 WeakPolarHBondContact CD-OH 3.32Å; K531-Y537 HydrophobicContact CG-CD1 4.21Å; K531-Y537 HydrophobicContact CG-CE1 3.9Å; K531-Y537 HydrophobicContact CG-CE2 4.31Å; K531-Y537 PolarHBondContact NZ-OH 3.3Å; K531-K561 CarbonylContact O-C 3.58Å; K531-K561 VanDerWaalsContact O-C 3.29Å; K531-P562 WeakPolarHBondContact O-CA 3.44Å
532L76.4Confident77.3Confident3 Ų346.7 Ų46.72%0.01624%0.235CC..  trans-100.6167171.6-63.5179.1000110.8F530 Q534 G535 E536 V538 P562 Q564 F639F530-L532 HydrophobicContact CD2-CD2 4.02Å; F530-L532 HydrophobicContact CD2-CG 4.42Å; F530-L532 HydrophobicContact CE2-CD2 3.91Å; F530-L532 HydrophobicContact CE2-CG 4.37Å; L532-Q534 PolarHBondContact O-N 2.83Å; L532-G535 WeakPolarHBondContact O-CA 3.24Å; L532-G535 PolarHBondContact O-N 3.11Å; L532-E536 PolarHBondContact N-O 3.25Å; L532-V538 HydrophobicContact CD1-CG2 3.62Å; L532-V538 HydrophobicContact CG-CG2 4.06Å; L532-P562 CarbonylContact C-O 3.57Å; L532-Q564 CarbonylContact C-O 3.57Å; L532-Q564 VanDerWaalsContact CA-O 3.26Å; L532-Q564 WeakPolarHBondContact CA-O 3.48Å; L532-Q564 VanDerWaalsContact CB-O 3.27Å; L532-Q564 WeakPolarHBondContact CB-O 3.47Å; L532-Q564 WeakPolarHBondContact CD2-O 3.39Å; L532-F639 HydrophobicContact CD1-CB 4.25Å; L532-F639 HydrophobicContact CD1-CD2 4.26Å; L532-F639 WeakPolarHBondContact CD1-O 3.44Å
533A72Confident77.2Confident62 Ų6244.6 Ų44.651%0.51223%0.225SC..THydrogen-bonded Turntrans-58.2-31.4-174.300000114.6G535 P562 Q564 N565A533-G535 PolarHBondContact O-N 2.7Å; A533-P562 WeakPolarHBondContact CA-O 3.33Å; A533-P562 WeakPolarHBondContact CB-O 3.26Å; A533-P562 PolarHBondContact N-O 3.17Å; A533-P562 VanDerWaalsContact N-O 3.12Å; A533-Q564 PolarHBondContact N-O 3.3Å; A533-N565 HydrophobicContact CB-CB 4.5Å
534Q69.2Low77.7Confident85 Ų8543.6 Ų43.640%0.39722%0.218SC..THydrogen-bonded Turntrans-76.6-0.3174.465.5-86.916.200113.9L532 E536 N565 F639L532-Q534 PolarHBondContact O-N 2.83Å; Q534-E536 HydrophobicContact CG-CB 3.98Å; Q534-E536 HydrophobicContact CG-CG 3.63Å; Q534-N565 PolarHBondContact NE2-O 2.84Å; Q534-N565 VanDerWaalsContact NE2-O 3.08Å; Q534-N565 PolarHBondContact OE1-O 3.41Å; Q534-F639 VanDerWaalsContact NE2-CB 3.26Å
535G58.5Low78Confident29 Ų2947.2 Ų47.230%0.29924%0.237SC..SBendtrans89.7-5.7-179.900000115.5K531 L532 A533K531-G535 VanDerWaalsContact CE-CA 3.44Å; K531-G535 WeakPolarHBondContact CE-O 3.11Å; L532-G535 WeakPolarHBondContact O-CA 3.24Å; L532-G535 PolarHBondContact O-N 3.11Å; A533-G535 PolarHBondContact O-N 2.7Å
536E71.8Confident78.3Confident82 Ų8244.4 Ų44.438%0.38323%0.229SC..  trans-69.1136.4178-67.7-6915600111.6K531 L532 Q534 F639K531-E536 WeakPolarHBondContact CA-O 3.37Å; L532-E536 PolarHBondContact N-O 3.25Å; Q534-E536 HydrophobicContact CG-CB 3.98Å; Q534-E536 HydrophobicContact CG-CG 3.63Å; E536-F639 HydrophobicContact CB-CD2 3.86Å; E536-F639 HydrophobicContact CB-CE1 4.48Å; E536-F639 HydrophobicContact CB-CE2 3.74Å; E536-F639 HydrophobicContact CB-CG 4.31Å; E536-F639 HydrophobicContact CB-CZ 4.06Å; E536-F639 HydrophobicContact CG-CD1 4.08Å; E536-F639 HydrophobicContact CG-CD2 4.21Å; E536-F639 HydrophobicContact CG-CE1 3.9Å; E536-F639 HydrophobicContact CG-CE2 4.07Å; E536-F639 HydrophobicContact CG-CG 4.22Å; E536-F639 HydrophobicContact CG-CZ 3.9Å; E536-F639 WeakPolarHBondContact OE2-CZ 3.49Å
537Y74Confident79.2Confident63 Ų6342.5 Ų42.525%0.24722%0.218CC..EExtended strand (participates in β ladder)trans-95.2132.5174.2-68.6-89.2000110.4D465 M466 I529 F530 K531D465-Y537 PolarHBondContact O-OH 3.45Å; M466-Y537 VanDerWaalsContact C-OH 3.31Å; M466-Y537 VanDerWaalsContact CA-OH 3.26Å; M466-Y537 WeakPolarHBondContact CA-OH 3.45Å; M466-Y537 HydrophobicContact CB-CD1 4.33Å; M466-Y537 HydrophobicContact CB-CE1 3.92Å; M466-Y537 HydrophobicContact CE-CD1 3.64Å; M466-Y537 HydrophobicContact CE-CE1 4.31Å; M466-Y537 HydrophobicContact CE-CG 3.9Å; M466-Y537 HydrophobicContact CG-CD1 4.1Å; M466-Y537 HydrophobicContact CG-CE1 3.82Å; M466-Y537 WeakPolarHBondContact O-CE2 3.43Å; M466-Y537 VanDerWaalsContact O-CZ 3.29Å; M466-Y537 PolarHBondContact O-OH 2.87Å; I529-Y537 HydrophobicContact CG2-CD1 4.08Å; I529-Y537 HydrophobicContact CG2-CG 4.47Å; F530-Y537 WeakPolarHBondContact O-CA 3.25Å; K531-Y537 HydrophobicContact CB-CD1 3.97Å; K531-Y537 HydrophobicContact CB-CE1 3.77Å; K531-Y537 HydrophobicContact CD-CE1 3.91Å; K531-Y537 HydrophobicContact CD-CE2 4.19Å; K531-Y537 WeakPolarHBondContact CD-OH 3.32Å; K531-Y537 HydrophobicContact CG-CD1 4.21Å; K531-Y537 HydrophobicContact CG-CE1 3.9Å; K531-Y537 HydrophobicContact CG-CE2 4.31Å; K531-Y537 PolarHBondContact NZ-OH 3.3Å
538V78.4Confident80Confident0 Ų039.4 Ų39.40%021%0.206CC..EExtended strand (participates in β ladder)trans-120.2122.6-176.8174.70000109.8I529 F530 L532 P540 L543 F639I529-V538 WeakPolarHBondContact CG2-O 3.45Å; F530-V538 HydrophobicContact CD2-CB 3.88Å; F530-V538 HydrophobicContact CD2-CG1 4.49Å; F530-V538 HydrophobicContact CE1-CG1 4.48Å; F530-V538 HydrophobicContact CE2-CB 3.37Å; F530-V538 HydrophobicContact CE2-CG1 3.58Å; F530-V538 HydrophobicContact CE2-CG2 4.06Å; F530-V538 HydrophobicContact CZ-CB 3.89Å; F530-V538 HydrophobicContact CZ-CG1 3.57Å; F530-V538 PolarHBondContact N-O 2.87Å; F530-V538 PolarHBondContact O-N 2.93Å; L532-V538 HydrophobicContact CD1-CG2 3.62Å; L532-V538 HydrophobicContact CG-CG2 4.06Å; V538-P540 WeakPolarHBondContact O-CD 3.38Å; V538-L543 HydrophobicContact CG1-CD1 4Å; V538-L543 HydrophobicContact CG1-CD2 3.37Å; V538-L543 HydrophobicContact CG1-CG 4.34Å; V538-F639 HydrophobicContact CG2-CD2 3.86Å; V538-F639 HydrophobicContact CG2-CE2 4.04Å
539A83.6Confident80.6Confident12 Ų1241.3 Ų41.310%0.09923%0.227CC..  trans-82.598.6173.700000109.6D524 I529 E541 K542 L543D524-A539 HydrophobicContact CB-CB 3.72Å; D524-A539 WeakPolarHBondContact OD2-CA 3.33Å; D524-A539 WeakPolarHBondContact OD2-CB 3.19Å; I529-A539 HydrophobicContact CG1-CB 4.48Å; A539-E541 VanDerWaalsContact C-N 3.28Å; A539-E541 PolarHBondContact O-N 3.17Å; A539-K542 HydrophobicContact CB-CB 4.05Å; A539-K542 WeakPolarHBondContact O-CB 3.16Å; A539-K542 PolarHBondContact O-N 3.12Å; A539-L543 WeakPolarHBondContact O-CD1 3.49Å; A539-L543 PolarHBondContact O-N 3.33Å
540P89.6Confident81.3Confident0 Ų040.4 Ų40.40%022%0.223CC..Hα-helixtrans-64.2-31.2-17426-34.8000113.6D524 S528 F530 V538 K542 L543 E544 V558 R667D524-P540 VanDerWaalsContact OD2-CD 3.29Å; D524-P540 WeakPolarHBondContact OD2-CD 3.5Å; D524-P540 VanDerWaalsContact OD2-N 3.15Å; S528-P540 WeakPolarHBondContact O-CD 3.38Å; S528-P540 WeakPolarHBondContact O-CG 3.33Å; F530-P540 HydrophobicContact CD1-CG 4.44Å; F530-P540 HydrophobicContact CE1-CB 3.86Å; F530-P540 HydrophobicContact CE1-CG 4.2Å; V538-P540 WeakPolarHBondContact O-CD 3.38Å; P540-K542 VanDerWaalsContact C-N 3.27Å; P540-K542 PolarHBondContact O-N 3.45Å; P540-L543 WeakPolarHBondContact O-CB 3.26Å; P540-L543 PolarHBondContact O-N 3.39Å; P540-L543 VanDerWaalsContact O-N 3.1Å; P540-E544 WeakPolarHBondContact O-CB 3.5Å; P540-E544 VanDerWaalsContact O-CG 3.25Å; P540-E544 WeakPolarHBondContact O-CG 3.22Å; P540-E544 PolarHBondContact O-N 3.34Å; P540-V558 HydrophobicContact CB-CB 4.18Å; P540-V558 HydrophobicContact CB-CG1 4.32Å; P540-R667 VanDerWaalsContact CG-CZ 3.46Å
541E85Confident81.8Confident59 Ų5946 Ų4628%0.27625%0.249SC..Hα-helixtrans-66.3-35.3-179.2-65.2-174.7-175.700110.6D524 A539 L543 E544 L545D524-E541 WeakPolarHBondContact OD2-CB 3.49Å; D524-E541 PolarHBondContact OD2-N 2.83Å; A539-E541 VanDerWaalsContact C-N 3.28Å; A539-E541 PolarHBondContact O-N 3.17Å; E541-L543 VanDerWaalsContact C-N 3.35Å; E541-L543 PolarHBondContact O-N 2.83Å; E541-E544 PolarHBondContact O-N 3Å; E541-L545 WeakPolarHBondContact O-CB 3.26Å; E541-L545 VanDerWaalsContact O-CG 3.25Å; E541-L545 WeakPolarHBondContact O-CG 3.05Å; E541-L545 PolarHBondContact O-N 3.13Å
542K83.2Confident82.9Confident89 Ų8942.2 Ų42.239%0.38723%0.233SC..Hα-helixtrans-58-47.5170.4177.3-164.8167.9-166.80111A539 P540 V546 E640A539-K542 HydrophobicContact CB-CB 4.05Å; A539-K542 WeakPolarHBondContact O-CB 3.16Å; A539-K542 PolarHBondContact O-N 3.12Å; P540-K542 VanDerWaalsContact C-N 3.27Å; P540-K542 PolarHBondContact O-N 3.45Å; K542-V546 WeakPolarHBondContact O-CG2 3.49Å; K542-V546 PolarHBondContact O-N 3.15Å; K542-V546 VanDerWaalsContact O-N 3.14Å; K542-E640 IonicContact NZ-OE1 2.78Å; K542-E640 PolarHBondContact NZ-OE1 3.01Å; K542-E640 IonicContact NZ-OE2 3.67Å; K542-E640 PolarHBondContact NZ-OE2 3.34Å
543L89.2Confident83.8Confident0 Ų042.8 Ų42.80%024%0.236CC..Hα-helixtrans-66.3-46.2-179-84.452.5000110.6V538 A539 P540 E541 L545 V546 Y547 V558 P567 L636 E640V538-L543 HydrophobicContact CG1-CD1 4Å; V538-L543 HydrophobicContact CG1-CD2 3.37Å; V538-L543 HydrophobicContact CG1-CG 4.34Å; A539-L543 WeakPolarHBondContact O-CD1 3.49Å; A539-L543 PolarHBondContact O-N 3.33Å; P540-L543 WeakPolarHBondContact O-CB 3.26Å; P540-L543 PolarHBondContact O-N 3.39Å; P540-L543 VanDerWaalsContact O-N 3.1Å; E541-L543 VanDerWaalsContact C-N 3.35Å; E541-L543 PolarHBondContact O-N 2.83Å; L543-L545 VanDerWaalsContact C-N 3.34Å; L543-L545 PolarHBondContact O-N 3.37Å; L543-V546 PolarHBondContact O-N 3.44Å; L543-V546 VanDerWaalsContact O-N 3.15Å; L543-Y547 HydrophobicContact CB-CD2 4.31Å; L543-Y547 HydrophobicContact CB-CE2 4.34Å; L543-Y547 WeakPolarHBondContact O-CD2 3.35Å; L543-Y547 PolarHBondContact O-N 2.96Å; L543-V558 HydrophobicContact CB-CG1 4.33Å; L543-V558 HydrophobicContact CB-CG2 4.24Å; L543-V558 HydrophobicContact CD2-CG1 3.9Å; L543-P567 HydrophobicContact CD2-CB 4.45Å; L543-P567 HydrophobicContact CD2-CG 3.99Å; L543-L636 HydrophobicContact CD1-CD2 4.47Å; L543-L636 HydrophobicContact CG-CD1 4.29Å; L543-E640 HydrophobicContact CD1-CB 4.12Å; L543-E640 HydrophobicContact CD1-CG 4.41Å; L543-E640 HydrophobicContact CD2-CB 4.42Å; L543-E640 WeakPolarHBondContact CD2-O 3.43Å; L543-E640 HydrophobicContact CG-CB 4.41Å
544E92.1Very high84.8Confident13 Ų1343.8 Ų43.86%0.06123%0.233CC..Hα-helixtrans-57.6-44.9177.5-71.5165.9177.800111.4P540 E541 V546 Y547 Q548 I556 F557 V558 R667P540-E544 WeakPolarHBondContact O-CB 3.5Å; P540-E544 VanDerWaalsContact O-CG 3.25Å; P540-E544 WeakPolarHBondContact O-CG 3.22Å; P540-E544 PolarHBondContact O-N 3.34Å; E541-E544 PolarHBondContact O-N 3Å; E544-V546 PolarHBondContact O-N 3.09Å; E544-Y547 PolarHBondContact O-N 2.81Å; E544-Q548 WeakPolarHBondContact O-CB 3.37Å; E544-Q548 VanDerWaalsContact O-CG 3.24Å; E544-Q548 WeakPolarHBondContact O-CG 3.49Å; E544-Q548 PolarHBondContact O-N 2.97Å; E544-I556 HydrophobicContact CB-CG2 4Å; E544-I556 HydrophobicContact CG-CG2 4.09Å; E544-F557 WeakPolarHBondContact OE1-CA 3.27Å; E544-V558 HydrophobicContact CG-CB 3.93Å; E544-V558 HydrophobicContact CG-CG2 3.58Å; E544-V558 PolarHBondContact OE1-N 2.93Å; E544-R667 IonicContact OE1-CZ 2.84Å; E544-R667 VanDerWaalsContact OE1-CZ 3.27Å; E544-R667 IonicContact OE1-NH1 3Å; E544-R667 PolarHBondContact OE1-NH1 2.66Å; E544-R667 IonicContact OE1-NH2 3.48Å; E544-R667 PolarHBondContact OE1-NH2 2.95Å; E544-R667 IonicContact OE2-CZ 3.35Å; E544-R667 IonicContact OE2-NH1 2.78Å; E544-R667 PolarHBondContact OE2-NH1 2.85Å; E544-R667 IonicContact OE2-NH2 3.12Å
545L85.1Confident86Confident77 Ų7741.4 Ų41.440%0.40322%0.221SC..Hα-helixtrans-62.3-39.6175.8-75.5168.9000112.8P406 E541 L543P406-L545 HydrophobicContact CB-CD1 3.85Å; P406-L545 HydrophobicContact CG-CD1 4.21Å; E541-L545 WeakPolarHBondContact O-CB 3.26Å; E541-L545 VanDerWaalsContact O-CG 3.25Å; E541-L545 WeakPolarHBondContact O-CG 3.05Å; E541-L545 PolarHBondContact O-N 3.13Å; L543-L545 VanDerWaalsContact C-N 3.34Å; L543-L545 PolarHBondContact O-N 3.37Å
546V86.2Confident87.8Confident27 Ų2740 Ų4016%0.16421%0.207CC..Hα-helixtrans-65.3-48.9175.11670000110.6K542 L543 E544 Q548 G549 K634 L636K542-V546 WeakPolarHBondContact O-CG2 3.49Å; K542-V546 PolarHBondContact O-N 3.15Å; K542-V546 VanDerWaalsContact O-N 3.14Å; L543-V546 PolarHBondContact O-N 3.44Å; L543-V546 VanDerWaalsContact O-N 3.15Å; E544-V546 PolarHBondContact O-N 3.09Å; V546-Q548 VanDerWaalsContact C-N 3.34Å; V546-Q548 PolarHBondContact O-N 2.69Å; V546-G549 PolarHBondContact O-N 2.78Å; V546-G549 VanDerWaalsContact O-N 3.08Å; V546-K634 HydrophobicContact CG1-CB 3.75Å; V546-K634 HydrophobicContact CG1-CG 4.01Å; V546-K634 HydrophobicContact CG2-CB 4.39Å; V546-L636 HydrophobicContact CB-CD1 4.17Å; V546-L636 HydrophobicContact CG1-CD1 3.75Å; V546-L636 HydrophobicContact CG1-CG 4.01Å; V546-L636 HydrophobicContact CG2-CD2 4.17Å
547Y94.5Very high89Confident0 Ų036.2 Ų36.20%019%0.189CC..Hα-helixtrans-68.7-30.2-178.5-76.4-60.7000113.1L543 E544 G549 C550 I553 I556 M627 N628 A631 L636 M641 V642L543-Y547 HydrophobicContact CB-CD2 4.31Å; L543-Y547 HydrophobicContact CB-CE2 4.34Å; L543-Y547 WeakPolarHBondContact O-CD2 3.35Å; L543-Y547 PolarHBondContact O-N 2.96Å; E544-Y547 PolarHBondContact O-N 2.81Å; Y547-G549 PolarHBondContact O-N 3.14Å; Y547-G549 VanDerWaalsContact O-N 3.16Å; Y547-C550 WeakPolarHBondContact O-CB 3.11Å; Y547-C550 PolarHBondContact O-N 3Å; Y547-I553 WeakPolarHBondContact O-CD1 3.41Å; Y547-I556 HydrophobicContact CD2-CD1 4.06Å; Y547-I556 HydrophobicContact CG-CD1 3.98Å; Y547-M627 HydrophobicContact CD1-CB 3.71Å; Y547-M627 HydrophobicContact CD1-CE 3.68Å; Y547-M627 HydrophobicContact CD1-CG 4.25Å; Y547-M627 HydrophobicContact CE1-CB 3.76Å; Y547-M627 HydrophobicContact CE1-CE 4.04Å; Y547-M627 WeakPolarHBondContact CE1-O 3.29Å; Y547-M627 HydrophobicContact CG-CE 3.94Å; Y547-N628 PolarHBondContact OH-OD1 3.29Å; Y547-A631 HydrophobicContact CE1-CB 3.75Å; Y547-L636 HydrophobicContact CE2-CD1 4.18Å; Y547-M641 WeakPolarHBondContact OH-CA 3.46Å; Y547-V642 HydrophobicContact CD2-CG2 4.29Å; Y547-V642 HydrophobicContact CE2-CB 4.09Å; Y547-V642 HydrophobicContact CE2-CG2 3.52Å; Y547-V642 PolarHBondContact OH-N 3.42Å
548Q90.3Very high90Very high95 Ų9533.2 Ų33.244%0.44418%0.178SC..THydrogen-bonded Turntrans-61.8-17.1171-81.3178-22.900113.2E544 V546 C550 I556E544-Q548 WeakPolarHBondContact O-CB 3.37Å; E544-Q548 VanDerWaalsContact O-CG 3.24Å; E544-Q548 WeakPolarHBondContact O-CG 3.49Å; E544-Q548 PolarHBondContact O-N 2.97Å; V546-Q548 VanDerWaalsContact C-N 3.34Å; V546-Q548 PolarHBondContact O-N 2.69Å; Q548-C550 PolarHBondContact O-N 2.92Å; Q548-I556 HydrophobicContact CG-CG2 3.88Å
549G86.4Confident90.7Very high53 Ų5333.6 Ų33.655%0.54618%0.18SC..THydrogen-bonded Turntrans-67.8-13.1167.800000113.9V546 Y547V546-G549 PolarHBondContact O-N 2.78Å; V546-G549 VanDerWaalsContact O-N 3.08Å; Y547-G549 PolarHBondContact O-N 3.14Å; Y547-G549 VanDerWaalsContact O-N 3.16Å
550C90.5Very high90.9Very high6 Ų633.4 Ų33.44%0.04118%0.179CC..SBendtrans-79.8118.6173.3-175.30000110.4Y547 Q548 L552 I553 V630Y547-C550 WeakPolarHBondContact O-CB 3.11Å; Y547-C550 PolarHBondContact O-N 3Å; Q548-C550 PolarHBondContact O-N 2.92Å; C550-L552 PolarHBondContact O-N 3.15Å; C550-I553 HydrophobicContact CB-CD1 4.02Å; C550-I553 HydrophobicContact CB-CG1 4.19Å; C550-I553 PolarHBondContact O-N 2.88Å; C550-V630 HydrophobicContact CB-CG2 4.05Å
551Q90.5Very high90.5Very high130 Ų13035.9 Ų35.961%0.60719%0.189SC*.THydrogen-bonded Turntrans-56.2-14.2178.862.2179.3-22.600115.5N577Q551-N577 VanDerWaalsContact O-CB 3.27Å; Q551-N577 WeakPolarHBondContact O-CB 3.47Å; Q551-N577 PolarHBondContact O-ND2 3.47Å
552L94.4Very high89.8Confident2 Ų236.7 Ų36.71%0.0120%0.2CC..THydrogen-bonded Turntrans-85.8-8.6179.4-53.4-173.1000113.1C550 P573 N574 N577 L578 C581 F622 V623 K626C550-L552 PolarHBondContact O-N 3.15Å; L552-P573 CarbonylContact O-C 3.55Å; L552-P573 VanDerWaalsContact O-CA 3.3Å; L552-P573 WeakPolarHBondContact O-CA 3.39Å; L552-N574 PolarHBondContact O-N 3.03Å; L552-N577 HydrophobicContact CD2-CB 4.45Å; L552-L578 HydrophobicContact CD1-CD1 4.18Å; L552-L578 HydrophobicContact CD2-CD1 4.39Å; L552-C581 HydrophobicContact CD2-CB 3.83Å; L552-F622 HydrophobicContact CD1-CE1 4.17Å; L552-V623 HydrophobicContact CD1-CG2 4.47Å; L552-K626 HydrophobicContact CD1-CB 3.72Å; L552-K626 HydrophobicContact CD1-CG 3.9Å
553I94.8Very high89.5Confident14 Ų1438.9 Ų38.97%0.07221%0.211CC..EExtended strand (participates in β ladder)trans-105.1131.8-175.6-60.8179.3000109.4Y547 C550 Q555 I556 V571 M627Y547-I553 WeakPolarHBondContact O-CD1 3.41Å; C550-I553 HydrophobicContact CB-CD1 4.02Å; C550-I553 HydrophobicContact CB-CG1 4.19Å; C550-I553 PolarHBondContact O-N 2.88Å; I553-Q555 WeakPolarHBondContact CG2-O 3.47Å; I553-I556 HydrophobicContact CD1-CD1 4.24Å; I553-I556 HydrophobicContact CG2-CB 3.97Å; I553-I556 HydrophobicContact CG2-CG2 4.19Å; I553-V571 HydrophobicContact CD1-CG1 4.48Å; I553-V571 HydrophobicContact CG1-CG1 3.92Å; I553-V571 HydrophobicContact CG2-CG1 4.38Å; I553-M627 HydrophobicContact CD1-CE 3.85Å; I553-M627 HydrophobicContact CD1-CG 3.63Å; I553-M627 HydrophobicContact CD1-SD 3.77Å; I553-M627 HydrophobicContact CG1-CG 4.33Å; I553-M627 HydrophobicContact CG1-SD 4.43Å
554D93Very high89.2Confident84 Ų8440.8 Ų40.845%0.44922%0.22SC..EExtended strand (participates in β ladder)trans-99.6-45.3165.4-166.352.1000110.9T572 N574D554-T572 PolarHBondContact N-O 3.44Å; D554-N574 HydrophobicContact CB-CB 4.43Å
555Q95.3Very high88.7Confident34 Ų3443.2 Ų43.216%0.15923%0.234CC..EExtended strand (participates in β ladder)trans-137.8150173.4-55.5172.1-49.200110.7I553 T572 F652I553-Q555 WeakPolarHBondContact CG2-O 3.47Å; Q555-T572 PolarHBondContact N-O 3.2Å; Q555-T572 PolarHBondContact O-N 2.76Å; Q555-F652 HydrophobicContact CB-CD2 3.98Å; Q555-F652 HydrophobicContact CB-CE2 4.1Å; Q555-F652 PolarHBondContact NE2-O 3.43Å
556I96.3Very high88.8Confident1 Ų140.8 Ų40.81%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-143.3140.5177.5-176.9172.4000109.9E544 Y547 Q548 I553 V558 A569 V570 V571 M627 I665E544-I556 HydrophobicContact CB-CG2 4Å; E544-I556 HydrophobicContact CG-CG2 4.09Å; Y547-I556 HydrophobicContact CD2-CD1 4.06Å; Y547-I556 HydrophobicContact CG-CD1 3.98Å; Q548-I556 HydrophobicContact CG-CG2 3.88Å; I553-I556 HydrophobicContact CD1-CD1 4.24Å; I553-I556 HydrophobicContact CG2-CB 3.97Å; I553-I556 HydrophobicContact CG2-CG2 4.19Å; I556-V558 HydrophobicContact CD1-CG2 3.93Å; I556-V558 HydrophobicContact CG1-CG2 4.09Å; I556-A569 HydrophobicContact CD1-CB 3.94Å; I556-A569 HydrophobicContact CG1-CB 3.96Å; I556-V570 CarbonylContact C-O 3.54Å; I556-V570 WeakPolarHBondContact CA-O 3.49Å; I556-V571 HydrophobicContact CD1-CG2 4.18Å; I556-V571 HydrophobicContact CG1-CG2 4.12Å; I556-M627 HydrophobicContact CD1-CE 3.63Å; I556-I665 WeakPolarHBondContact O-CD1 3.37Å
557F96Very high89.2Confident1 Ų139.5 Ų39.50%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-125.2114170167.7-110.5000108.7E544 D559 A569 V570 F652 I665 R667 A670 R671 F674E544-F557 WeakPolarHBondContact OE1-CA 3.27Å; F557-D559 HydrophobicContact CE1-CB 3.87Å; F557-D559 HydrophobicContact CZ-CB 3.89Å; F557-A569 CarbonylContact O-C 3.55Å; F557-A569 WeakPolarHBondContact O-CA 3.4Å; F557-A569 WeakPolarHBondContact O-CB 3.47Å; F557-V570 HydrophobicContact CB-CB 4.42Å; F557-V570 HydrophobicContact CD1-CB 4.45Å; F557-V570 HydrophobicContact CD1-CG2 4.42Å; F557-V570 PolarHBondContact N-O 3.29Å; F557-V570 PolarHBondContact O-N 3.47Å; F557-F652 HydrophobicContact CB-CE2 3.83Å; F557-F652 HydrophobicContact CB-CZ 3.86Å; F557-I665 HydrophobicContact CD2-CG2 4.12Å; F557-R667 HydrophobicContact CE2-CB 4.24Å; F557-R667 HydrophobicContact CE2-CG 4.45Å; F557-A670 HydrophobicContact CD1-CB 4.08Å; F557-A670 HydrophobicContact CD2-CB 3.92Å; F557-A670 HydrophobicContact CE1-CB 4.05Å; F557-A670 HydrophobicContact CE2-CB 3.9Å; F557-A670 HydrophobicContact CG-CB 4.02Å; F557-A670 HydrophobicContact CZ-CB 3.98Å; F557-R671 HydrophobicContact CE1-CG 4.47Å; F557-R671 HydrophobicContact CZ-CG 3.69Å; F557-F674 HydrophobicContact CD1-CD2 4.33Å
558V96.2Very high89.3Confident0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-95.1135.4178.8175.60000109.8F530 P540 L543 E544 I556 P567 V568 A569 V642 R667F530-V558 HydrophobicContact CE1-CG1 4.44Å; F530-V558 HydrophobicContact CZ-CG1 4.22Å; P540-V558 HydrophobicContact CB-CB 4.18Å; P540-V558 HydrophobicContact CB-CG1 4.32Å; L543-V558 HydrophobicContact CB-CG1 4.33Å; L543-V558 HydrophobicContact CB-CG2 4.24Å; L543-V558 HydrophobicContact CD2-CG1 3.9Å; E544-V558 HydrophobicContact CG-CB 3.93Å; E544-V558 HydrophobicContact CG-CG2 3.58Å; E544-V558 PolarHBondContact OE1-N 2.93Å; I556-V558 HydrophobicContact CD1-CG2 3.93Å; I556-V558 HydrophobicContact CG1-CG2 4.09Å; V558-P567 HydrophobicContact CG1-CB 3.92Å; V558-V568 WeakPolarHBondContact CA-O 3.28Å; V558-A569 HydrophobicContact CG2-CB 4.01Å; V558-V642 HydrophobicContact CG1-CG2 4.33Å; V558-V642 HydrophobicContact CG2-CG2 4.26Å; V558-R667 PolarHBondContact O-NH2 2.86Å
559D93.3Very high89.7Confident9 Ų935 Ų355%0.04819%0.192CC..EExtended strand (participates in β ladder)trans-137.8160.7176.1-154.925000112.9F557 P567 V568 R671 Y682F557-D559 HydrophobicContact CE1-CB 3.87Å; F557-D559 HydrophobicContact CZ-CB 3.89Å; D559-P567 WeakPolarHBondContact O-CA 3.31Å; D559-P567 WeakPolarHBondContact O-CB 3.38Å; D559-V568 PolarHBondContact N-O 2.99Å; D559-V568 PolarHBondContact O-N 2.92Å; D559-R671 IonicContact OD1-CZ 3.83Å; D559-R671 VanDerWaalsContact OD1-CZ 3.24Å; D559-R671 IonicContact OD1-NE 2.84Å; D559-R671 PolarHBondContact OD1-NE 2.93Å; D559-R671 IonicContact OD1-NH2 3.81Å; D559-R671 PolarHBondContact OD1-NH2 3.44Å; D559-R671 IonicContact OD2-NE 2.87Å; D559-Y682 PolarHBondContact O-OH 3.4Å
560G87Confident90.3Very high7 Ų732.6 Ų32.67%0.07217%0.166CC..  trans-151153.8-174.600000112F530 Y682F530-G560 VanDerWaalsContact CD2-CA 3.45Å; F530-G560 VanDerWaalsContact CE1-N 3.34Å; F530-G560 VanDerWaalsContact CE2-CA 3.45Å; G560-Y682 VanDerWaalsContact CA-OH 3.26Å; G560-Y682 WeakPolarHBondContact CA-OH 3.3Å
561K80.5Confident90.6Very high53 Ų5332.3 Ų32.323%0.2316%0.164CC..  trans-129.4144.8178.8-66.8-173.1177.3-174.10110.9K531 E563 Q564 E679 Y682K531-K561 CarbonylContact O-C 3.58Å; K531-K561 VanDerWaalsContact O-C 3.29Å; K561-E563 WeakPolarHBondContact CB-OE2 3.36Å; K561-E563 PolarHBondContact O-N 3.49Å; K561-E563 VanDerWaalsContact O-N 3.13Å; K561-Q564 HydrophobicContact CB-CB 4.36Å; K561-Q564 HydrophobicContact CB-CG 3.97Å; K561-Q564 PolarHBondContact O-N 3.48Å; K561-E679 IonicContact NZ-OE1 3.86Å; K561-Y682 HydrophobicContact CD-CD2 4.25Å; K561-Y682 HydrophobicContact CD-CE2 3.99Å; K561-Y682 HydrophobicContact CG-CE2 4Å
562P70.8Confident90.9Very high75 Ų7526.2 Ų26.249%0.48714%0.136SC..THydrogen-bonded Turntrans-55.9-26.5175.8-25.735.4000114.3K531 L532 A533 Q564K531-P562 WeakPolarHBondContact O-CA 3.44Å; L532-P562 CarbonylContact C-O 3.57Å; A533-P562 WeakPolarHBondContact CA-O 3.33Å; A533-P562 WeakPolarHBondContact CB-O 3.26Å; A533-P562 PolarHBondContact N-O 3.17Å; A533-P562 VanDerWaalsContact N-O 3.12Å; P562-Q564 VanDerWaalsContact C-N 3.3Å
563E76.7Confident91.1Very high136 Ų13626.2 Ų26.264%0.63614%0.136SC*.THydrogen-bonded Turntrans-84.2-4.1-179.8-53.473.8-154.600113.2K561K561-E563 WeakPolarHBondContact CB-OE2 3.36Å; K561-E563 PolarHBondContact O-N 3.49Å; K561-E563 VanDerWaalsContact O-N 3.13Å
564Q83.3Confident91.1Very high39 Ų3927.7 Ų27.718%0.18214%0.144CC..  trans-117.3144.2-171.4-60.8-67.2-24.700110.5L532 A533 K561 P562 Y682L532-Q564 CarbonylContact C-O 3.57Å; L532-Q564 VanDerWaalsContact CA-O 3.26Å; L532-Q564 WeakPolarHBondContact CA-O 3.48Å; L532-Q564 VanDerWaalsContact CB-O 3.27Å; L532-Q564 WeakPolarHBondContact CB-O 3.47Å; L532-Q564 WeakPolarHBondContact CD2-O 3.39Å; A533-Q564 PolarHBondContact N-O 3.3Å; K561-Q564 HydrophobicContact CB-CB 4.36Å; K561-Q564 HydrophobicContact CB-CG 3.97Å; K561-Q564 PolarHBondContact O-N 3.48Å; P562-Q564 VanDerWaalsContact C-N 3.3Å; Q564-Y682 HydrophobicContact CB-CD1 3.85Å; Q564-Y682 HydrophobicContact CB-CE1 3.43Å; Q564-Y682 VanDerWaalsContact CB-CE1 3.43Å; Q564-Y682 HydrophobicContact CG-CD1 3.38Å; Q564-Y682 HydrophobicContact CG-CD2 4.1Å; Q564-Y682 HydrophobicContact CG-CE1 3.4Å; Q564-Y682 HydrophobicContact CG-CE2 4.12Å; Q564-Y682 HydrophobicContact CG-CG 3.77Å; Q564-Y682 VanDerWaalsContact OE1-CD1 3.25Å
565N82Confident91.1Very high65 Ų6525 Ų2535%0.34813%0.129SC..SBendtrans-95.53.2-175.962.2-15.1000114.7A533 Q534A533-N565 HydrophobicContact CB-CB 4.5Å; Q534-N565 PolarHBondContact NE2-O 2.84Å; Q534-N565 VanDerWaalsContact NE2-O 3.08Å; Q534-N565 PolarHBondContact OE1-O 3.41Å
566F86.3Confident90.9Very high25 Ų2528.4 Ų28.411%0.1115%0.151CC..SBendtrans-147.9161177.253.7-99.9000110.9V568 K643 Y682 T685F566-V568 HydrophobicContact CD2-CG1 4.28Å; F566-V568 HydrophobicContact CE2-CG1 4.02Å; F566-K643 HydrophobicContact CB-CB 4.25Å; F566-K643 HydrophobicContact CB-CG 3.51Å; F566-K643 HydrophobicContact CD1-CB 4.28Å; F566-K643 HydrophobicContact CD1-CG 3.81Å; F566-K643 HydrophobicContact CD2-CB 3.46Å; F566-K643 VanDerWaalsContact CD2-CB 3.46Å; F566-K643 HydrophobicContact CD2-CG 3.69Å; F566-K643 HydrophobicContact CE2-CB 3.85Å; F566-K643 HydrophobicContact CE2-CG 4.4Å; F566-K643 HydrophobicContact CG-CB 3.73Å; F566-K643 HydrophobicContact CG-CG 3.37Å; F566-K643 HydrophobicContact CZ-CB 4.46Å; F566-Y682 HydrophobicContact CD2-CD1 4.37Å; F566-Y682 AromaticContact CD2-CE1 3.96Å; F566-Y682 HydrophobicContact CD2-CE1 3.96Å; F566-Y682 AromaticContact CE2-CD1 3.55Å; F566-Y682 HydrophobicContact CE2-CD1 3.55Å; F566-Y682 AromaticContact CE2-CE1 3.6Å; F566-Y682 HydrophobicContact CE2-CE1 3.6Å; F566-Y682 AromaticContact CZ-CD1 3.95Å; F566-Y682 HydrophobicContact CZ-CD1 3.95Å; F566-Y682 HydrophobicContact CZ-CE1 4.32Å; F566-Y682 WeakPolarHBondContact O-CE1 3.45Å; F566-Y682 PolarHBondContact O-OH 3Å; F566-T685 HydrophobicContact CE2-CG2 4.17Å; F566-T685 HydrophobicContact CZ-CG2 4.03Å; F566-T685 WeakPolarHBondContact CZ-OG1 3.46Å
567P94.9Very high90.6Very high0 Ų031.1 Ų31.10%017%0.166CC..  trans-85.3160.517132.8-35.2000113.2F530 L543 V558 D559 F639 V642 K643F530-P567 HydrophobicContact CE2-CB 4.18Å; F530-P567 HydrophobicContact CZ-CB 3.87Å; L543-P567 HydrophobicContact CD2-CB 4.45Å; L543-P567 HydrophobicContact CD2-CG 3.99Å; V558-P567 HydrophobicContact CG1-CB 3.92Å; D559-P567 WeakPolarHBondContact O-CA 3.31Å; D559-P567 WeakPolarHBondContact O-CB 3.38Å; P567-F639 WeakPolarHBondContact CD-O 3.39Å; P567-V642 HydrophobicContact CB-CG2 4.46Å; P567-V642 HydrophobicContact CG-CG2 4.21Å; P567-V642 WeakPolarHBondContact O-CA 3.38Å; P567-K643 PolarHBondContact O-N 3.27Å; P567-K643 VanDerWaalsContact O-N 3.09Å
568V97.1Very high90.5Very high0 Ų031.1 Ų31.10%017%0.166CC..EExtended strand (participates in β ladder)trans-121.9164.5170.1-62.20000110V558 D559 F566 S644 V678 L681 Y682V558-V568 WeakPolarHBondContact CA-O 3.28Å; D559-V568 PolarHBondContact N-O 2.99Å; D559-V568 PolarHBondContact O-N 2.92Å; F566-V568 HydrophobicContact CD2-CG1 4.28Å; F566-V568 HydrophobicContact CE2-CG1 4.02Å; V568-S644 WeakPolarHBondContact CA-O 3.16Å; V568-S644 WeakPolarHBondContact CB-O 3.38Å; V568-V678 HydrophobicContact CG2-CG1 3.89Å; V568-V678 HydrophobicContact CG2-CG2 4.49Å; V568-L681 HydrophobicContact CB-CB 4.09Å; V568-L681 HydrophobicContact CB-CD1 3.93Å; V568-L681 HydrophobicContact CG1-CB 3.93Å; V568-L681 HydrophobicContact CG2-CB 4.37Å; V568-L681 HydrophobicContact CG2-CD1 4.15Å; V568-Y682 HydrophobicContact CG1-CD1 3.91Å; V568-Y682 HydrophobicContact CG1-CE1 3.57Å; V568-Y682 HydrophobicContact CG1-CE2 4.28Å; V568-Y682 HydrophobicContact CG1-CG 4.39Å; V568-Y682 HydrophobicContact CG2-CD2 4.48Å; V568-Y682 HydrophobicContact CG2-CE1 4.42Å; V568-Y682 HydrophobicContact CG2-CE2 3.77Å
569A98.2Very high90.3Very high2 Ų232.3 Ų32.32%0.01717%0.17CC..EExtended strand (participates in β ladder)trans-141.6147.8177.700000115I556 F557 V558 V571 V642 S644 I645 Y646I556-A569 HydrophobicContact CD1-CB 3.94Å; I556-A569 HydrophobicContact CG1-CB 3.96Å; F557-A569 CarbonylContact O-C 3.55Å; F557-A569 WeakPolarHBondContact O-CA 3.4Å; F557-A569 WeakPolarHBondContact O-CB 3.47Å; V558-A569 HydrophobicContact CG2-CB 4.01Å; A569-V571 HydrophobicContact CB-CG2 4.4Å; A569-V642 HydrophobicContact CB-CG1 3.91Å; A569-V642 HydrophobicContact CB-CG2 4.02Å; A569-S644 PolarHBondContact N-O 2.72Å; A569-I645 HydrophobicContact CB-CG2 4.1Å; A569-I645 CarbonylContact O-C 3.5Å; A569-I645 WeakPolarHBondContact O-CA 3.4Å; A569-Y646 PolarHBondContact O-N 2.68Å
570V98.3Very high90Very high1 Ų134.6 Ų34.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-96.6125.5164.5174.70000108I556 F557 Y646 N648 F652 F674 I677I556-V570 CarbonylContact C-O 3.54Å; I556-V570 WeakPolarHBondContact CA-O 3.49Å; F557-V570 HydrophobicContact CB-CB 4.42Å; F557-V570 HydrophobicContact CD1-CB 4.45Å; F557-V570 HydrophobicContact CD1-CG2 4.42Å; F557-V570 PolarHBondContact N-O 3.29Å; F557-V570 PolarHBondContact O-N 3.47Å; V570-Y646 HydrophobicContact CG1-CD1 4.06Å; V570-Y646 HydrophobicContact CG2-CD1 4.46Å; V570-N648 HydrophobicContact CG1-CB 3.7Å; V570-F652 HydrophobicContact CG1-CE1 4.27Å; V570-F652 HydrophobicContact CG1-CZ 4.08Å; V570-F674 HydrophobicContact CB-CD2 4.49Å; V570-F674 HydrophobicContact CG1-CD1 4.19Å; V570-F674 HydrophobicContact CG1-CD2 4.39Å; V570-F674 HydrophobicContact CG1-CE1 3.87Å; V570-F674 HydrophobicContact CG1-CE2 4.08Å; V570-F674 HydrophobicContact CG1-CG 4.46Å; V570-F674 HydrophobicContact CG1-CZ 3.83Å; V570-F674 HydrophobicContact CG2-CB 4.03Å; V570-F674 HydrophobicContact CG2-CD1 3.97Å; V570-F674 HydrophobicContact CG2-CD2 4.13Å; V570-F674 HydrophobicContact CG2-CE1 4.5Å; V570-F674 HydrophobicContact CG2-CG 3.78Å; V570-I677 HydrophobicContact CG2-CG2 4.33Å
571V98.3Very high90Very high0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-121.9120.5-173.4176.70000109.2I553 I556 A569 P573 M627 I645 Y646 L647 N648I553-V571 HydrophobicContact CD1-CG1 4.48Å; I553-V571 HydrophobicContact CG1-CG1 3.92Å; I553-V571 HydrophobicContact CG2-CG1 4.38Å; I556-V571 HydrophobicContact CD1-CG2 4.18Å; I556-V571 HydrophobicContact CG1-CG2 4.12Å; A569-V571 HydrophobicContact CB-CG2 4.4Å; V571-P573 WeakPolarHBondContact O-CD 3.37Å; V571-M627 HydrophobicContact CG2-CE 3.89Å; V571-M627 HydrophobicContact CG2-SD 3.84Å; V571-I645 HydrophobicContact CG2-CB 4.25Å; V571-I645 HydrophobicContact CG2-CD1 4.47Å; V571-I645 HydrophobicContact CG2-CG2 4.11Å; V571-Y646 PolarHBondContact N-O 2.88Å; V571-L647 HydrophobicContact CB-CD2 4.16Å; V571-L647 HydrophobicContact CG1-CD2 4.35Å; V571-L647 CarbonylContact O-C 3.57Å; V571-L647 WeakPolarHBondContact O-CA 3.43Å; V571-N648 PolarHBondContact O-N 2.87Å
572T97.3Very high90.4Very high2 Ų233 Ų331%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-88.7111.1163.5-65.40000108.4D554 Q555 N648 P651D554-T572 PolarHBondContact N-O 3.44Å; Q555-T572 PolarHBondContact N-O 3.2Å; Q555-T572 PolarHBondContact O-N 2.76Å; T572-N648 WeakPolarHBondContact CA-O 3.38Å; T572-N648 PolarHBondContact OG1-ND2 3.05Å; T572-N648 VanDerWaalsContact OG1-ND2 3.11Å; T572-N648 PolarHBondContact OG1-O 3.21Å; T572-P651 HydrophobicContact CG2-CB 4.4Å; T572-P651 HydrophobicContact CG2-CG 4.22Å
573P97.2Very high91.1Very high3 Ų330.4 Ų30.42%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-70.4150-175.4-17.932.4000112.6L552 V571 F575 L578 L647 N648L552-P573 CarbonylContact O-C 3.55Å; L552-P573 VanDerWaalsContact O-CA 3.3Å; L552-P573 WeakPolarHBondContact O-CA 3.39Å; V571-P573 WeakPolarHBondContact O-CD 3.37Å; P573-F575 VanDerWaalsContact C-N 3.34Å; P573-F575 HydrophobicContact CB-CD1 4.35Å; P573-F575 HydrophobicContact CB-CE1 4.22Å; P573-F575 HydrophobicContact CB-CZ 4.36Å; P573-F575 HydrophobicContact CG-CE1 4.03Å; P573-F575 HydrophobicContact CG-CZ 4.04Å; P573-F575 WeakPolarHBondContact O-CD2 3.29Å; P573-F575 PolarHBondContact O-N 3.47Å; P573-F575 VanDerWaalsContact O-N 3.08Å; P573-L578 HydrophobicContact CB-CD2 3.82Å; P573-L578 HydrophobicContact CG-CD2 4.3Å; P573-L647 HydrophobicContact CG-CB 4.38Å; P573-L647 HydrophobicContact CG-CD2 4.23Å; P573-N648 WeakPolarHBondContact CD-O 3.28Å
574N95.1Very high91.4Very high45 Ų4527.5 Ų27.524%0.24116%0.158CC..  trans-75.491.7156.2-174-50.5000108.1L552 D554 V576 N577 L578L552-N574 PolarHBondContact O-N 3.03Å; D554-N574 HydrophobicContact CB-CB 4.43Å; N574-V576 PolarHBondContact O-N 2.82Å; N574-V576 PolarHBondContact OD1-N 2.99Å; N574-N577 HydrophobicContact CB-CB 4.14Å; N574-N577 PolarHBondContact ND2-ND2 2.87Å; N574-N577 PolarHBondContact O-N 3.38Å; N574-N577 WeakPolarHBondContact OD1-CB 3.44Å; N574-N577 PolarHBondContact OD1-N 2.65Å; N574-L578 WeakPolarHBondContact O-CB 3.41Å; N574-L578 PolarHBondContact O-N 3.35Å
575F93.6Very high91.3Very high28 Ų2826.8 Ų26.812%0.12315%0.154CC..Hα-helixtrans-58.2-32.4-173.6-69-76000113.7P573 R579 D610 I613 D649P573-F575 VanDerWaalsContact C-N 3.34Å; P573-F575 HydrophobicContact CB-CD1 4.35Å; P573-F575 HydrophobicContact CB-CE1 4.22Å; P573-F575 HydrophobicContact CB-CZ 4.36Å; P573-F575 HydrophobicContact CG-CE1 4.03Å; P573-F575 HydrophobicContact CG-CZ 4.04Å; P573-F575 WeakPolarHBondContact O-CD2 3.29Å; P573-F575 PolarHBondContact O-N 3.47Å; P573-F575 VanDerWaalsContact O-N 3.08Å; F575-R579 WeakPolarHBondContact O-CB 3.15Å; F575-R579 VanDerWaalsContact O-CG 3.22Å; F575-R579 WeakPolarHBondContact O-CG 3.16Å; F575-R579 PolarHBondContact O-N 2.98Å; F575-D610 HydrophobicContact CD1-CB 3.87Å; F575-D610 WeakPolarHBondContact CD1-OD1 3.36Å; F575-D610 HydrophobicContact CD2-CB 4.29Å; F575-D610 HydrophobicContact CE1-CB 3.6Å; F575-D610 HydrophobicContact CE2-CB 4.05Å; F575-D610 HydrophobicContact CG-CB 4.21Å; F575-D610 WeakPolarHBondContact CG-OD1 3.47Å; F575-D610 HydrophobicContact CZ-CB 3.71Å; F575-I613 HydrophobicContact CD1-CD1 4.43Å; F575-I613 HydrophobicContact CD1-CG2 4.1Å; F575-I613 HydrophobicContact CE1-CB 4.36Å; F575-I613 HydrophobicContact CE1-CG2 3.91Å; F575-D649 HydrophobicContact CZ-CB 4.09Å
576V90.8Very high91.3Very high105 Ų10524.6 Ų24.664%0.63614%0.142SC*.Hα-helixtrans-66.5-49.8177.41780000110.8N574 S580N574-V576 PolarHBondContact O-N 2.82Å; N574-V576 PolarHBondContact OD1-N 2.99Å; V576-S580 WeakPolarHBondContact O-CB 3.33Å; V576-S580 PolarHBondContact O-N 3.03Å; V576-S580 VanDerWaalsContact O-N 3.17Å; V576-S580 PolarHBondContact O-OG 3.05Å
577N90.7Very high91.1Very high58 Ų5830.4 Ų30.431%0.3117%0.167SC..Hα-helixtrans-67.8-38.6178.2-70.1-11.1000111.3Q551 L552 N574 S580 C581Q551-N577 VanDerWaalsContact O-CB 3.27Å; Q551-N577 WeakPolarHBondContact O-CB 3.47Å; Q551-N577 PolarHBondContact O-ND2 3.47Å; L552-N577 HydrophobicContact CD2-CB 4.45Å; N574-N577 HydrophobicContact CB-CB 4.14Å; N574-N577 PolarHBondContact ND2-ND2 2.87Å; N574-N577 PolarHBondContact O-N 3.38Å; N574-N577 WeakPolarHBondContact OD1-CB 3.44Å; N574-N577 PolarHBondContact OD1-N 2.65Å; N577-S580 PolarHBondContact O-N 3.39Å; N577-C581 WeakPolarHBondContact O-CB 3.3Å; N577-C581 PolarHBondContact O-N 3.45Å
578L93.1Very high90.2Very high0 Ų033.8 Ų33.80%019%0.191CC..Hα-helixtrans-61.5-51.6178.3-178.157.1000112L552 P573 N574 S580 C581 I582 I613 I619 F622 V623L552-L578 HydrophobicContact CD1-CD1 4.18Å; L552-L578 HydrophobicContact CD2-CD1 4.39Å; P573-L578 HydrophobicContact CB-CD2 3.82Å; P573-L578 HydrophobicContact CG-CD2 4.3Å; N574-L578 WeakPolarHBondContact O-CB 3.41Å; N574-L578 PolarHBondContact O-N 3.35Å; L578-S580 VanDerWaalsContact C-N 3.32Å; L578-S580 PolarHBondContact O-N 3.31Å; L578-C581 PolarHBondContact O-N 3.45Å; L578-I582 HydrophobicContact CD1-CD1 3.72Å; L578-I582 HydrophobicContact CD1-CG1 4.07Å; L578-I582 HydrophobicContact CG-CD1 3.87Å; L578-I582 VanDerWaalsContact O-CG1 3.3Å; L578-I582 WeakPolarHBondContact O-CG1 3.43Å; L578-I582 PolarHBondContact O-N 2.91Å; L578-I613 HydrophobicContact CD2-CG2 3.65Å; L578-I619 HydrophobicContact CD1-CG2 4.39Å; L578-I619 HydrophobicContact CD2-CG2 3.97Å; L578-F622 HydrophobicContact CD1-CD1 4.41Å; L578-V623 HydrophobicContact CD1-CG2 3.6Å; L578-V623 HydrophobicContact CD2-CG2 4.16Å
579R91.1Very high88.8Confident25 Ų2535.4 Ų35.49%0.09421%0.207CC..Hα-helixtrans-59.8-43.5177.3-70172.3-166.8-80.53.4111.7F575 N583 T605 F606 L608 D610 I613F575-R579 WeakPolarHBondContact O-CB 3.15Å; F575-R579 VanDerWaalsContact O-CG 3.22Å; F575-R579 WeakPolarHBondContact O-CG 3.16Å; F575-R579 PolarHBondContact O-N 2.98Å; R579-N583 VanDerWaalsContact O-CB 3.28Å; R579-N583 WeakPolarHBondContact O-CB 3.38Å; R579-N583 PolarHBondContact O-N 2.94Å; R579-T605 PolarHBondContact NH1-O 3.35Å; R579-F606 HydrophobicContact CB-CD1 4.11Å; R579-F606 HydrophobicContact CB-CE1 3.83Å; R579-F606 HydrophobicContact CB-CZ 4.3Å; R579-L608 PolarHBondContact NH1-O 3.48Å; R579-L608 PolarHBondContact NH2-O 3.19Å; R579-D610 IonicContact CZ-OD1 3.14Å; R579-D610 IonicContact NE-OD1 2.87Å; R579-D610 IonicContact NH2-OD1 2.68Å; R579-D610 PolarHBondContact NH2-OD1 2.96Å; R579-I613 HydrophobicContact CG-CD1 3.72Å
580S87.9Confident87.1Confident58 Ų5837.6 Ų37.641%0.40622%0.222SC..Hα-helixtrans-63.2-42.9178-590000112.2V576 N577 L578 N583 S584V576-S580 WeakPolarHBondContact O-CB 3.33Å; V576-S580 PolarHBondContact O-N 3.03Å; V576-S580 VanDerWaalsContact O-N 3.17Å; V576-S580 PolarHBondContact O-OG 3.05Å; N577-S580 PolarHBondContact O-N 3.39Å; L578-S580 VanDerWaalsContact C-N 3.32Å; L578-S580 PolarHBondContact O-N 3.31Å; S580-N583 PolarHBondContact O-N 3.22Å; S580-S584 WeakPolarHBondContact O-CB 3.38Å; S580-S584 PolarHBondContact O-N 3.33Å
581C87.9Confident85.1Confident26 Ų2638.4 Ų38.418%0.17623%0.226CC..Hα-helixtrans-65.9-46.3179-169.40000111.7L552 N577 L578 S584 Y585L552-C581 HydrophobicContact CD2-CB 3.83Å; N577-C581 WeakPolarHBondContact O-CB 3.3Å; N577-C581 PolarHBondContact O-N 3.45Å; L578-C581 PolarHBondContact O-N 3.45Å; C581-S584 PolarHBondContact O-N 3.16Å; C581-Y585 WeakPolarHBondContact O-CB 3.33Å; C581-Y585 PolarHBondContact O-N 3.46Å
582I87.2Confident82.9Confident1 Ų143.8 Ų43.81%0.00526%0.259CS..Hα-helixtrans-63.8-43.8176.7-61166000110.3L578 S584 Y585 L586 F598 T605 I619 F622L578-I582 HydrophobicContact CD1-CD1 3.72Å; L578-I582 HydrophobicContact CD1-CG1 4.07Å; L578-I582 HydrophobicContact CG-CD1 3.87Å; L578-I582 VanDerWaalsContact O-CG1 3.3Å; L578-I582 WeakPolarHBondContact O-CG1 3.43Å; L578-I582 PolarHBondContact O-N 2.91Å; I582-S584 VanDerWaalsContact C-N 3.31Å; I582-S584 PolarHBondContact O-N 3.08Å; I582-Y585 PolarHBondContact O-N 2.81Å; I582-L586 HydrophobicContact CG2-CD1 3.89Å; I582-L586 HydrophobicContact CG2-CG 4.23Å; I582-L586 WeakPolarHBondContact O-CB 3.41Å; I582-L586 WeakPolarHBondContact O-CG 3.38Å; I582-L586 PolarHBondContact O-N 3.26Å; I582-F598 HydrophobicContact CD1-CZ 4.34Å; I582-F598 HydrophobicContact CG1-CZ 4.01Å; I582-F598 HydrophobicContact CG2-CD2 4.22Å; I582-F598 HydrophobicContact CG2-CE1 4.26Å; I582-F598 HydrophobicContact CG2-CE2 3.9Å; I582-F598 HydrophobicContact CG2-CZ 3.9Å; I582-T605 HydrophobicContact CB-CG2 4.07Å; I582-T605 HydrophobicContact CG2-CG2 3.45Å; I582-T605 VanDerWaalsContact CG2-CG2 3.45Å; I582-I619 HydrophobicContact CD1-CD1 4.17Å; I582-I619 HydrophobicContact CD1-CG1 3.99Å; I582-I619 HydrophobicContact CD1-CG2 4.16Å; I582-F622 HydrophobicContact CG1-CD1 4.08Å; I582-F622 HydrophobicContact CG1-CE1 3.95Å
583N85.6Confident80.7Confident19 Ų1950.6 Ų50.610%0.10230%0.295CS..Hα-helixtrans-58.4-43.9176.9-173.4-84.4000112R579 S580 K587 P602 F606R579-N583 VanDerWaalsContact O-CB 3.28Å; R579-N583 WeakPolarHBondContact O-CB 3.38Å; R579-N583 PolarHBondContact O-N 2.94Å; S580-N583 PolarHBondContact O-N 3.22Å; N583-K587 WeakPolarHBondContact O-CG 3.5Å; N583-K587 PolarHBondContact O-N 2.55Å; N583-K587 VanDerWaalsContact O-N 3.12Å; N583-K587 WeakPolarHBondContact OD1-CD 3.5Å; N583-K587 WeakPolarHBondContact OD1-CE 3.29Å; N583-K587 PolarHBondContact OD1-NZ 2.89Å; N583-P602 PolarHBondContact ND2-O 2.88Å; N583-F606 HydrophobicContact CB-CE2 3.88Å; N583-F606 HydrophobicContact CB-CZ 4.45Å; N583-F606 WeakPolarHBondContact ND2-CE2 3.35Å
584S84.6Confident78.6Confident76 Ų7654.8 Ų54.853%0.53132%0.318SS..Hα-helixtrans-65.1-42.9176.6-168.90000112S580 C581 I582 K587 S588S580-S584 WeakPolarHBondContact O-CB 3.38Å; S580-S584 PolarHBondContact O-N 3.33Å; C581-S584 PolarHBondContact O-N 3.16Å; I582-S584 VanDerWaalsContact C-N 3.31Å; I582-S584 PolarHBondContact O-N 3.08Å; S584-K587 PolarHBondContact O-N 2.99Å; S584-S588 PolarHBondContact O-N 2.9Å; S584-S588 PolarHBondContact O-OG 3.37Å
585Y80.8Confident76.5Confident23 Ų2354.7 Ų54.79%0.0933%0.327CS..Hα-helixtrans-63.4-38.8178-176.5-92000112.8C581 I582 S588 C590 N591 D594 I597 F598 F622 R625C581-Y585 WeakPolarHBondContact O-CB 3.33Å; C581-Y585 PolarHBondContact O-N 3.46Å; I582-Y585 PolarHBondContact O-N 2.81Å; Y585-S588 PolarHBondContact O-OG 2.98Å; Y585-C590 HydrophobicContact CD2-CB 3.98Å; Y585-C590 HydrophobicContact CE1-CB 4.46Å; Y585-C590 HydrophobicContact CE2-CB 3.59Å; Y585-C590 PolarHBondContact OH-O 2.84Å; Y585-N591 HydrophobicContact CD1-CB 4.42Å; Y585-N591 HydrophobicContact CE1-CB 3.97Å; Y585-D594 WeakPolarHBondContact OH-CB 3.4Å; Y585-D594 PolarHBondContact OH-OD2 2.88Å; Y585-I597 HydrophobicContact CE1-CD1 4.33Å; Y585-I597 VanDerWaalsContact OH-CD1 3.28Å; Y585-I597 WeakPolarHBondContact OH-CD1 3.35Å; Y585-F598 HydrophobicContact CD1-CD2 4.04Å; Y585-F598 AromaticContact CD1-CE2 3.89Å; Y585-F598 HydrophobicContact CD1-CE2 3.89Å; Y585-F598 HydrophobicContact CE1-CD2 4.2Å; Y585-F598 HydrophobicContact CE1-CE2 4.17Å; Y585-F622 HydrophobicContact CD1-CE2 4.13Å; Y585-F622 AromaticContact CD2-CE2 3.76Å; Y585-F622 HydrophobicContact CD2-CE2 3.76Å; Y585-F622 HydrophobicContact CD2-CZ 4.39Å; Y585-F622 HydrophobicContact CE1-CE2 4.44Å; Y585-F622 HydrophobicContact CE2-CE2 4.07Å; Y585-F622 AromaticContact CG-CE2 3.78Å; Y585-F622 HydrophobicContact CG-CE2 3.78Å; Y585-F622 HydrophobicContact CG-CZ 4.31Å; Y585-R625 PolarHBondContact OH-NH2 3.19Å
586L81.3Confident74.7Confident20 Ų2061.4 Ų61.411%0.10536%0.356CS..Hα-helixtrans-69.2-34.3175.2-71.2171.7000112.1I582 N591 F598 M600 P602 T605I582-L586 HydrophobicContact CG2-CD1 3.89Å; I582-L586 HydrophobicContact CG2-CG 4.23Å; I582-L586 WeakPolarHBondContact O-CB 3.41Å; I582-L586 WeakPolarHBondContact O-CG 3.38Å; I582-L586 PolarHBondContact O-N 3.26Å; L586-N591 HydrophobicContact CD2-CB 4.2Å; L586-N591 WeakPolarHBondContact CD2-ND2 3.26Å; L586-F598 HydrophobicContact CD2-CB 3.82Å; L586-F598 HydrophobicContact CD2-CD2 4.06Å; L586-F598 HydrophobicContact CD2-CG 4.31Å; L586-F598 HydrophobicContact CG-CD2 4.49Å; L586-M600 HydrophobicContact CD1-CG 3.84Å; L586-M600 HydrophobicContact CD1-SD 4.48Å; L586-P602 HydrophobicContact CB-CB 4.25Å; L586-P602 HydrophobicContact CB-CG 3.85Å; L586-T605 HydrophobicContact CD1-CG2 3.78Å
587K81.2Confident73.2Confident146 Ų14658 Ų5864%0.63533%0.334SS*.Hα-helixtrans-74.7-31.3177.8-78.8174.4175.1163.90113.5N583 S584 G589 P602N583-K587 WeakPolarHBondContact O-CG 3.5Å; N583-K587 PolarHBondContact O-N 2.55Å; N583-K587 VanDerWaalsContact O-N 3.12Å; N583-K587 WeakPolarHBondContact OD1-CD 3.5Å; N583-K587 WeakPolarHBondContact OD1-CE 3.29Å; N583-K587 PolarHBondContact OD1-NZ 2.89Å; S584-K587 PolarHBondContact O-N 2.99Å; K587-G589 PolarHBondContact O-N 2.97Å; K587-P602 HydrophobicContact CG-CB 4.16Å; K587-P602 HydrophobicContact CG-CG 4.15Å
588S76.9Confident72.1Confident72 Ų7255.4 Ų55.450%0.50332%0.32SS..THydrogen-bonded Turntrans-74.7-6.6-178.361.70000113.9S584 Y585 C590S584-S588 PolarHBondContact O-N 2.9Å; S584-S588 PolarHBondContact O-OG 3.37Å; Y585-S588 PolarHBondContact O-OG 2.98Å; S588-C590 PolarHBondContact O-N 2.97Å; S588-C590 PolarHBondContact OG-SG 2.82Å
589G68.4Low71Confident33 Ų3362.8 Ų62.834%0.3436%0.359SS..SBendtrans76.7-3.3-176.500000114.2K587 N591 V592K587-G589 PolarHBondContact O-N 2.97Å; G589-N591 PolarHBondContact O-N 3.1Å; G589-V592 WeakPolarHBondContact O-CB 3.47Å; G589-V592 WeakPolarHBondContact O-CG2 3.06Å; G589-V592 PolarHBondContact O-N 3.43Å
590C61.2Low70Confident48 Ų4863.6 Ų63.632%0.32437%0.365SS..Hα-helixtrans-59.4-20.1178.7-60.20000113.2Y585 S588 V592 D593 D594Y585-C590 HydrophobicContact CD2-CB 3.98Å; Y585-C590 HydrophobicContact CE1-CB 4.46Å; Y585-C590 HydrophobicContact CE2-CB 3.59Å; Y585-C590 PolarHBondContact OH-O 2.84Å; S588-C590 PolarHBondContact O-N 2.97Å; S588-C590 PolarHBondContact OG-SG 2.82Å; C590-V592 PolarHBondContact O-N 3.08Å; C590-D593 PolarHBondContact O-N 3.23Å; C590-D594 PolarHBondContact O-N 3.48Å
591N57.6Low69.2Low19 Ų1969.8 Ų69.810%0.10238%0.379CS..Hα-helixtrans-66.1-13.9173-161.437.9000113.5Y585 L586 G589 G595 K596 I597 F598Y585-N591 HydrophobicContact CD1-CB 4.42Å; Y585-N591 HydrophobicContact CE1-CB 3.97Å; L586-N591 HydrophobicContact CD2-CB 4.2Å; L586-N591 WeakPolarHBondContact CD2-ND2 3.26Å; G589-N591 PolarHBondContact O-N 3.1Å; N591-G595 CarbonylContact O-C 3.42Å; N591-G595 VanDerWaalsContact O-O 3.14Å; N591-K596 VanDerWaalsContact O-CA 3.29Å; N591-K596 WeakPolarHBondContact O-CA 3.36Å; N591-K596 PolarHBondContact O-N 3.21Å; N591-I597 PolarHBondContact OD1-N 2.73Å; N591-F598 PolarHBondContact ND2-O 3.08Å; N591-F598 PolarHBondContact OD1-N 3.34Å
592V52.3Low68.2Low113 Ų11370.5 Ų70.569%0.68538%0.383SS*.Hα-helixtrans-87.5-42.5177.2-173.30000111.1G589 C590G589-V592 WeakPolarHBondContact O-CB 3.47Å; G589-V592 WeakPolarHBondContact O-CG2 3.06Å; G589-V592 PolarHBondContact O-N 3.43Å; C590-V592 PolarHBondContact O-N 3.08Å
593D51.1Low67.2Low144 Ų14473.6 Ų73.677%0.7741%0.405SS*.Hα-helixtrans-75.9-32.6-175-67.3-32000113.2C590 G595C590-D593 PolarHBondContact O-N 3.23Å; D593-G595 PolarHBondContact O-N 2.81Å
594D51.4Low66.7Low92 Ų9275 Ų7549%0.49241%0.413SS..THydrogen-bonded Turntrans-86.313.3-178-85.5-15.8000114Y585 C590 I597 R625Y585-D594 WeakPolarHBondContact OH-CB 3.4Å; Y585-D594 PolarHBondContact OH-OD2 2.88Å; C590-D594 PolarHBondContact O-N 3.48Å; D594-I597 HydrophobicContact CB-CD1 4.06Å; D594-I597 HydrophobicContact CB-CG1 4.39Å; D594-R625 IonicContact OD2-CZ 3.68Å; D594-R625 IonicContact OD2-NH1 2.69Å; D594-R625 PolarHBondContact OD2-NH1 2.96Å; D594-R625 IonicContact OD2-NH2 3.24Å
595G51.8Low66Low42 Ų4271.5 Ų71.543%0.43339%0.388SS..  trans69.8148.4-157.800000109.8N591 D593 I597N591-G595 CarbonylContact O-C 3.42Å; N591-G595 VanDerWaalsContact O-O 3.14Å; D593-G595 PolarHBondContact O-N 2.81Å; G595-I597 VanDerWaalsContact C-N 3.31Å; G595-I597 WeakPolarHBondContact O-CG1 3.12Å; G595-I597 PolarHBondContact O-N 2.8Å
596K55.2Low65.7Low170 Ų17076 Ų7674%0.73941%0.408SS*.  trans-60.892.7178.5-73.7-178.1178.4-179.30110.4N591 F598N591-K596 VanDerWaalsContact O-CA 3.29Å; N591-K596 WeakPolarHBondContact O-CA 3.36Å; N591-K596 PolarHBondContact O-N 3.21Å; K596-F598 VanDerWaalsContact C-N 3.29Å
597I61Low65.7Low34 Ų3484.5 Ų84.517%0.17444%0.439CS..  trans-66.8-41175.7-60.5-175.9000108.6Y585 N591 D594 G595 E618 R625Y585-I597 HydrophobicContact CE1-CD1 4.33Å; Y585-I597 VanDerWaalsContact OH-CD1 3.28Å; Y585-I597 WeakPolarHBondContact OH-CD1 3.35Å; N591-I597 PolarHBondContact OD1-N 2.73Å; D594-I597 HydrophobicContact CB-CD1 4.06Å; D594-I597 HydrophobicContact CB-CG1 4.39Å; G595-I597 VanDerWaalsContact C-N 3.31Å; G595-I597 WeakPolarHBondContact O-CG1 3.12Å; G595-I597 PolarHBondContact O-N 2.8Å; I597-E618 WeakPolarHBondContact O-CB 3.5Å; I597-E618 WeakPolarHBondContact O-CG 3.22Å; I597-R625 VanDerWaalsContact CD1-CZ 3.43Å; I597-R625 VanDerWaalsContact CD1-NH1 3.31Å
598F67.8Low65.8Low3 Ų380.2 Ų80.21%0.01342%0.423CS..  trans-117.8125.8-176.8-61.5-67000111.6I582 Y585 L586 N591 K596 M600 E618 I619 F622I582-F598 HydrophobicContact CD1-CZ 4.34Å; I582-F598 HydrophobicContact CG1-CZ 4.01Å; I582-F598 HydrophobicContact CG2-CD2 4.22Å; I582-F598 HydrophobicContact CG2-CE1 4.26Å; I582-F598 HydrophobicContact CG2-CE2 3.9Å; I582-F598 HydrophobicContact CG2-CZ 3.9Å; Y585-F598 HydrophobicContact CD1-CD2 4.04Å; Y585-F598 AromaticContact CD1-CE2 3.89Å; Y585-F598 HydrophobicContact CD1-CE2 3.89Å; Y585-F598 HydrophobicContact CE1-CD2 4.2Å; Y585-F598 HydrophobicContact CE1-CE2 4.17Å; L586-F598 HydrophobicContact CD2-CB 3.82Å; L586-F598 HydrophobicContact CD2-CD2 4.06Å; L586-F598 HydrophobicContact CD2-CG 4.31Å; L586-F598 HydrophobicContact CG-CD2 4.49Å; N591-F598 PolarHBondContact ND2-O 3.08Å; N591-F598 PolarHBondContact OD1-N 3.34Å; K596-F598 VanDerWaalsContact C-N 3.29Å; F598-M600 VanDerWaalsContact C-N 3.32Å; F598-M600 HydrophobicContact CB-CG 4.13Å; F598-M600 HydrophobicContact CD1-CE 4.02Å; F598-M600 PolarHBondContact O-N 3.49Å; F598-E618 HydrophobicContact CD1-CB 3.86Å; F598-E618 HydrophobicContact CE1-CB 4.09Å; F598-I619 HydrophobicContact CD1-CG1 4.37Å; F598-I619 HydrophobicContact CE1-CB 4.4Å; F598-I619 HydrophobicContact CE1-CG1 3.65Å; F598-F622 HydrophobicContact CE1-CB 4.27Å; F598-F622 HydrophobicContact CE2-CB 4.28Å; F598-F622 AromaticContact CE2-CD2 3.71Å; F598-F622 HydrophobicContact CE2-CD2 3.71Å; F598-F622 HydrophobicContact CE2-CE2 4.19Å; F598-F622 AromaticContact CE2-CG 3.99Å; F598-F622 HydrophobicContact CE2-CG 3.99Å; F598-F622 HydrophobicContact CZ-CB 3.51Å; F598-F622 HydrophobicContact CZ-CD1 4.1Å; F598-F622 AromaticContact CZ-CD2 3.77Å; F598-F622 HydrophobicContact CZ-CD2 3.77Å; F598-F622 AromaticContact CZ-CG 3.53Å; F598-F622 HydrophobicContact CZ-CG 3.53Å
599D68.1Low66.3Low154 Ų15479.3 Ų79.382%0.82442%0.417SS*.  trans-93.259166.2-164.424.7000110.8
600M71.2Confident67.4Low43 Ų4381 Ų8121%0.21242%0.418CS..SBendtrans-146.6154.5178.473.5-175.265.200112.2L586 F598 D604 T605 L608L586-M600 HydrophobicContact CD1-CG 3.84Å; L586-M600 HydrophobicContact CD1-SD 4.48Å; F598-M600 VanDerWaalsContact C-N 3.32Å; F598-M600 HydrophobicContact CB-CG 4.13Å; F598-M600 HydrophobicContact CD1-CE 4.02Å; F598-M600 PolarHBondContact O-N 3.49Å; M600-D604 HydrophobicContact CB-CB 4.38Å; M600-T605 HydrophobicContact CG-CG2 4.41Å; M600-T605 HydrophobicContact SD-CG2 3.57Å; M600-T605 VanDerWaalsContact SD-CG2 3.57Å; M600-L608 HydrophobicContact CE-CD1 4.3Å; M600-L608 HydrophobicContact SD-CD1 4.44Å
601R70.8Confident68.9Low187 Ų18781.5 Ų81.571%0.70642%0.417SS*.  trans-81.8153.9174.1-59.7178.6175.1177.8-0.5110.2S603 D604R601-S603 PolarHBondContact O-N 3.31Å; R601-S603 VanDerWaalsContact O-N 3.09Å; R601-D604 VanDerWaalsContact CB-OD2 3.28Å; R601-D604 WeakPolarHBondContact CB-OD2 3.05Å; R601-D604 PolarHBondContact N-OD2 2.69Å; R601-D604 WeakPolarHBondContact O-CB 3.44Å; R601-D604 PolarHBondContact O-N 3.09Å
602P66Low70.5Confident41 Ų4184.2 Ų84.227%0.26643%0.432SS..G310 helixtrans-49.9-40.6178.7-25.929.6000113.9N583 L586 K587 D604 T605N583-P602 PolarHBondContact ND2-O 2.88Å; L586-P602 HydrophobicContact CB-CB 4.25Å; L586-P602 HydrophobicContact CB-CG 3.85Å; K587-P602 HydrophobicContact CG-CB 4.16Å; K587-P602 HydrophobicContact CG-CG 4.15Å; P602-D604 VanDerWaalsContact C-N 3.28Å; P602-D604 PolarHBondContact O-N 3.07Å; P602-T605 PolarHBondContact O-OG1 3.34Å
603S67.2Low72.2Confident66 Ų6678.9 Ų78.946%0.46240%0.4SS..G310 helixtrans-66.4-24.4179.850.10000114.5R601 T605R601-S603 PolarHBondContact O-N 3.31Å; R601-S603 VanDerWaalsContact O-N 3.09Å; S603-T605 VanDerWaalsContact C-N 3.32Å
604D74.6Confident74.2Confident49 Ų4972.6 Ų72.626%0.26237%0.366SS..G310 helixtrans-76.5-26-172.8-57.6-25.2000111.3M600 R601 P602 F606 R607 L608M600-D604 HydrophobicContact CB-CB 4.38Å; R601-D604 VanDerWaalsContact CB-OD2 3.28Å; R601-D604 WeakPolarHBondContact CB-OD2 3.05Å; R601-D604 PolarHBondContact N-OD2 2.69Å; R601-D604 WeakPolarHBondContact O-CB 3.44Å; R601-D604 PolarHBondContact O-N 3.09Å; P602-D604 VanDerWaalsContact C-N 3.28Å; P602-D604 PolarHBondContact O-N 3.07Å; D604-F606 PolarHBondContact O-N 3.15Å; D604-R607 WeakPolarHBondContact O-CB 3.16Å; D604-R607 PolarHBondContact O-N 3.5Å; D604-R607 IonicContact OD1-NH1 3.96Å; D604-L608 PolarHBondContact O-N 2.91Å
605T69.7Low76.1Confident3 Ų375.4 Ų75.42%0.01837%0.374CS..G310 helixtrans-56.7-31.8176.856.10000113.7R579 I582 L586 M600 P602 S603 R607R579-T605 PolarHBondContact NH1-O 3.35Å; I582-T605 HydrophobicContact CB-CG2 4.07Å; I582-T605 HydrophobicContact CG2-CG2 3.45Å; I582-T605 VanDerWaalsContact CG2-CG2 3.45Å; L586-T605 HydrophobicContact CD1-CG2 3.78Å; M600-T605 HydrophobicContact CG-CG2 4.41Å; M600-T605 HydrophobicContact SD-CG2 3.57Å; M600-T605 VanDerWaalsContact SD-CG2 3.57Å; P602-T605 PolarHBondContact O-OG1 3.34Å; S603-T605 VanDerWaalsContact C-N 3.32Å; T605-R607 VanDerWaalsContact C-N 3.33Å
606F75.8Confident77.8Confident116 Ų11674.2 Ų74.251%0.50936%0.36SS..G310 helixtrans-85.6-6.3178.2-71-79.4000113.4R579 N583 D604R579-F606 HydrophobicContact CB-CD1 4.11Å; R579-F606 HydrophobicContact CB-CE1 3.83Å; R579-F606 HydrophobicContact CB-CZ 4.3Å; N583-F606 HydrophobicContact CB-CE2 3.88Å; N583-F606 HydrophobicContact CB-CZ 4.45Å; N583-F606 WeakPolarHBondContact ND2-CE2 3.35Å; D604-F606 PolarHBondContact O-N 3.15Å
607R79.6Confident79.3Confident200 Ų20069.3 Ų69.376%0.75534%0.341SS*.THydrogen-bonded Turntrans-96.3-24.4-179.2-64.3179.7172.3177.9-5.4113.6D604 T605D604-R607 WeakPolarHBondContact O-CB 3.16Å; D604-R607 PolarHBondContact O-N 3.5Å; D604-R607 IonicContact OD1-NH1 3.96Å; T605-R607 VanDerWaalsContact C-N 3.33Å
608L83.1Confident80.6Confident55 Ų5571.3 Ų71.329%0.28835%0.349SS..SBendtrans-64.2140.6177.8-64.7176.3000110.6R579 M600 D604 D612 I613 I619R579-L608 PolarHBondContact NH1-O 3.48Å; R579-L608 PolarHBondContact NH2-O 3.19Å; M600-L608 HydrophobicContact CE-CD1 4.3Å; M600-L608 HydrophobicContact SD-CD1 4.44Å; D604-L608 PolarHBondContact O-N 2.91Å; L608-D612 HydrophobicContact CB-CB 4.15Å; L608-D612 HydrophobicContact CD2-CB 4.16Å; L608-I613 HydrophobicContact CB-CG1 3.97Å; L608-I613 HydrophobicContact CD1-CG1 4.28Å; L608-I619 HydrophobicContact CD1-CD1 4.38Å
609S88.9Confident81.6Confident54 Ų5471.2 Ų71.238%0.37835%0.349SS..  trans-67.6163.1167.570.30000110.7N611 D612 I613S609-N611 PolarHBondContact O-N 3.48Å; S609-D612 WeakPolarHBondContact CB-OD2 3.43Å; S609-D612 PolarHBondContact N-OD2 3.16Å; S609-D612 VanDerWaalsContact N-OD2 3.11Å; S609-D612 PolarHBondContact O-N 3.14Å; S609-D612 PolarHBondContact OG-N 3.34Å; S609-D612 VanDerWaalsContact OG-N 3.08Å; S609-D612 PolarHBondContact OG-OD2 3.37Å; S609-I613 PolarHBondContact O-N 2.91Å
610D92Very high82.8Confident68 Ų6865.9 Ų65.936%0.36432%0.317SS..Hα-helixtrans-60.4-33.6175-71-11.8000111.3F575 R579 I613 C614 D649F575-D610 HydrophobicContact CD1-CB 3.87Å; F575-D610 WeakPolarHBondContact CD1-OD1 3.36Å; F575-D610 HydrophobicContact CD2-CB 4.29Å; F575-D610 HydrophobicContact CE1-CB 3.6Å; F575-D610 HydrophobicContact CE2-CB 4.05Å; F575-D610 HydrophobicContact CG-CB 4.21Å; F575-D610 WeakPolarHBondContact CG-OD1 3.47Å; F575-D610 HydrophobicContact CZ-CB 3.71Å; R579-D610 IonicContact CZ-OD1 3.14Å; R579-D610 IonicContact NE-OD1 2.87Å; R579-D610 IonicContact NH2-OD1 2.68Å; R579-D610 PolarHBondContact NH2-OD1 2.96Å; D610-I613 WeakPolarHBondContact O-CB 3.45Å; D610-I613 PolarHBondContact O-N 3.01Å; D610-C614 PolarHBondContact O-N 2.91Å; D610-C614 PolarHBondContact O-SG 2.93Å; D610-D649 HydrophobicContact CB-CB 4.46Å
611N92.6Very high83.7Confident58 Ų5870.1 Ų70.131%0.3133%0.331SS..Hα-helixtrans-65.7-44.3174-170.7-101.7000112.5S609 I613 C614 K615 D649S609-N611 PolarHBondContact O-N 3.48Å; N611-I613 VanDerWaalsContact C-N 3.31Å; N611-I613 PolarHBondContact O-N 3.09Å; N611-C614 PolarHBondContact O-N 3.41Å; N611-K615 WeakPolarHBondContact O-CG 3.44Å; N611-K615 PolarHBondContact O-N 3.48Å; N611-K615 VanDerWaalsContact O-N 3.07Å; N611-K615 WeakPolarHBondContact OD1-CE 3.37Å; N611-K615 PolarHBondContact OD1-NZ 2.65Å; N611-D649 WeakPolarHBondContact CA-OD2 3.33Å; N611-D649 VanDerWaalsContact CB-OD2 3.26Å; N611-D649 WeakPolarHBondContact CB-OD2 3.39Å; N611-D649 PolarHBondContact ND2-OD2 3.17Å
612D89.8Confident84.7Confident76 Ų7661.3 Ų61.341%0.40630%0.298SS..Hα-helixtrans-64.4-38176.8-61.8-45.2000111.4L608 S609 C614 K615 S616L608-D612 HydrophobicContact CB-CB 4.15Å; L608-D612 HydrophobicContact CD2-CB 4.16Å; S609-D612 WeakPolarHBondContact CB-OD2 3.43Å; S609-D612 PolarHBondContact N-OD2 3.16Å; S609-D612 VanDerWaalsContact N-OD2 3.11Å; S609-D612 PolarHBondContact O-N 3.14Å; S609-D612 PolarHBondContact OG-N 3.34Å; S609-D612 VanDerWaalsContact OG-N 3.08Å; S609-D612 PolarHBondContact OG-OD2 3.37Å; D612-C614 VanDerWaalsContact C-N 3.33Å; D612-C614 PolarHBondContact O-N 3.24Å; D612-K615 PolarHBondContact O-N 2.76Å; D612-S616 PolarHBondContact O-N 2.91Å
613I88.8Confident86.1Confident2 Ų259.3 Ų59.31%0.0129%0.285CS..Hα-helixtrans-57.9-47.9172.3-78.4-164.9000110.7F575 L578 R579 L608 S609 D610 N611 K615 S616 I619F575-I613 HydrophobicContact CD1-CD1 4.43Å; F575-I613 HydrophobicContact CD1-CG2 4.1Å; F575-I613 HydrophobicContact CE1-CB 4.36Å; F575-I613 HydrophobicContact CE1-CG2 3.91Å; L578-I613 HydrophobicContact CD2-CG2 3.65Å; R579-I613 HydrophobicContact CG-CD1 3.72Å; L608-I613 HydrophobicContact CB-CG1 3.97Å; L608-I613 HydrophobicContact CD1-CG1 4.28Å; S609-I613 PolarHBondContact O-N 2.91Å; D610-I613 WeakPolarHBondContact O-CB 3.45Å; D610-I613 PolarHBondContact O-N 3.01Å; N611-I613 VanDerWaalsContact C-N 3.31Å; N611-I613 PolarHBondContact O-N 3.09Å; I613-K615 VanDerWaalsContact C-N 3.25Å; I613-K615 PolarHBondContact O-N 2.92Å; I613-S616 PolarHBondContact O-N 3.41Å; I613-I619 HydrophobicContact CB-CD1 4.26Å; I613-I619 HydrophobicContact CG1-CD1 4.05Å; I613-I619 HydrophobicContact CG2-CD1 4.2Å; I613-I619 HydrophobicContact CG2-CG2 4.05Å
614C93.1Very high87.4Confident11 Ų1157.6 Ų57.67%0.07427%0.27CS..Hα-helixtrans-68.4-25.3-176.8-690000113.2D610 N611 D612 L647D610-C614 PolarHBondContact O-N 2.91Å; D610-C614 PolarHBondContact O-SG 2.93Å; N611-C614 PolarHBondContact O-N 3.41Å; D612-C614 VanDerWaalsContact C-N 3.33Å; D612-C614 PolarHBondContact O-N 3.24Å; C614-L647 HydrophobicContact CB-CB 3.78Å; C614-L647 WeakPolarHBondContact CB-O 3.34Å
615K90.5Very high88.3Confident151 Ų15158.6 Ų58.666%0.65727%0.27SS*.Hα-helixtrans-82.1-17.3177.5-74.3171.3172.8167.80114.4N611 D612 I613 I617N611-K615 WeakPolarHBondContact O-CG 3.44Å; N611-K615 PolarHBondContact O-N 3.48Å; N611-K615 VanDerWaalsContact O-N 3.07Å; N611-K615 WeakPolarHBondContact OD1-CE 3.37Å; N611-K615 PolarHBondContact OD1-NZ 2.65Å; D612-K615 PolarHBondContact O-N 2.76Å; I613-K615 VanDerWaalsContact C-N 3.25Å; I613-K615 PolarHBondContact O-N 2.92Å; K615-I617 PolarHBondContact O-N 3.45Å
616S88.7Confident89.5Confident18 Ų1860.8 Ų60.813%0.12628%0.28CS..  trans-75.2121.7-179165.60000111.4D612 I613 E618 I619 R620D612-S616 PolarHBondContact O-N 2.91Å; I613-S616 PolarHBondContact O-N 3.41Å; S616-E618 VanDerWaalsContact C-N 3.27Å; S616-E618 PolarHBondContact O-N 2.94Å; S616-E618 PolarHBondContact OG-N 2.77Å; S616-E618 PolarHBondContact OG-OE2 3.17Å; S616-I619 PolarHBondContact O-N 3.36Å; S616-I619 WeakPolarHBondContact OG-CG1 3.47Å; S616-I619 PolarHBondContact OG-N 3.43Å; S616-I619 VanDerWaalsContact OG-N 3.13Å; S616-R620 WeakPolarHBondContact O-CB 3.36Å; S616-R620 PolarHBondContact O-N 3.45Å
617I86.9Confident90.5Very high66 Ų6655.3 Ų55.334%0.33826%0.255SS..Hα-helixtrans-67.6-31.4176.9-166.8152.9000111.9K615 R620 R621K615-I617 PolarHBondContact O-N 3.45Å; I617-R620 PolarHBondContact O-N 2.98Å; I617-R621 WeakPolarHBondContact O-CB 3.34Å; I617-R621 WeakPolarHBondContact O-CG 3.47Å; I617-R621 PolarHBondContact O-N 3.24Å
618E86.3Confident91.2Very high76 Ų7647.1 Ų47.136%0.35523%0.227SC..Hα-helixtrans-64-48.8175.7-58.976.5-164.500110.8I597 F598 S616 R621 F622I597-E618 WeakPolarHBondContact O-CB 3.5Å; I597-E618 WeakPolarHBondContact O-CG 3.22Å; F598-E618 HydrophobicContact CD1-CB 3.86Å; F598-E618 HydrophobicContact CE1-CB 4.09Å; S616-E618 VanDerWaalsContact C-N 3.27Å; S616-E618 PolarHBondContact O-N 2.94Å; S616-E618 PolarHBondContact OG-N 2.77Å; S616-E618 PolarHBondContact OG-OE2 3.17Å; E618-R621 PolarHBondContact O-N 3.14Å; E618-F622 WeakPolarHBondContact O-CB 3.38Å; E618-F622 PolarHBondContact O-N 3.36Å
619I90.2Very high91.7Very high1 Ų148.2 Ų48.21%0.00523%0.231CC..Hα-helixtrans-64.7-42.9176.9-66.1176000110.2L578 I582 F598 L608 I613 S616 R621 F622 V623 L647L578-I619 HydrophobicContact CD1-CG2 4.39Å; L578-I619 HydrophobicContact CD2-CG2 3.97Å; I582-I619 HydrophobicContact CD1-CD1 4.17Å; I582-I619 HydrophobicContact CD1-CG1 3.99Å; I582-I619 HydrophobicContact CD1-CG2 4.16Å; F598-I619 HydrophobicContact CD1-CG1 4.37Å; F598-I619 HydrophobicContact CE1-CB 4.4Å; F598-I619 HydrophobicContact CE1-CG1 3.65Å; L608-I619 HydrophobicContact CD1-CD1 4.38Å; I613-I619 HydrophobicContact CB-CD1 4.26Å; I613-I619 HydrophobicContact CG1-CD1 4.05Å; I613-I619 HydrophobicContact CG2-CD1 4.2Å; I613-I619 HydrophobicContact CG2-CG2 4.05Å; S616-I619 PolarHBondContact O-N 3.36Å; S616-I619 WeakPolarHBondContact OG-CG1 3.47Å; S616-I619 PolarHBondContact OG-N 3.43Å; S616-I619 VanDerWaalsContact OG-N 3.13Å; I619-R621 PolarHBondContact O-N 2.85Å; I619-F622 WeakPolarHBondContact O-CB 3.47Å; I619-F622 PolarHBondContact O-N 2.98Å; I619-F622 VanDerWaalsContact O-N 3.17Å; I619-V623 HydrophobicContact CG2-CG2 4.22Å; I619-V623 WeakPolarHBondContact O-CG2 3.3Å; I619-V623 PolarHBondContact O-N 3.37Å; I619-L647 HydrophobicContact CG2-CD1 3.89Å
620R93Very high91.8Very high42 Ų4247.1 Ų47.116%0.15822%0.222CC..Hα-helixtrans-57.2-46.7176.2-166.417477.81530.3112.2S616 I617 V623 L624 I645 L647 E684S616-R620 WeakPolarHBondContact O-CB 3.36Å; S616-R620 PolarHBondContact O-N 3.45Å; I617-R620 PolarHBondContact O-N 2.98Å; R620-V623 PolarHBondContact O-N 3.12Å; R620-L624 WeakPolarHBondContact O-CB 3.37Å; R620-L624 PolarHBondContact O-N 3.35Å; R620-I645 WeakPolarHBondContact CD-O 3.48Å; R620-I645 HydrophobicContact CG-CD1 4.44Å; R620-I645 HydrophobicContact CG-CG1 3.83Å; R620-I645 WeakPolarHBondContact CG-O 3.38Å; R620-L647 HydrophobicContact CB-CD1 4.27Å; R620-L647 HydrophobicContact CB-CG 4.38Å; R620-L647 HydrophobicContact CG-CG 4.23Å; R620-E684 IonicContact CZ-OE1 2.7Å; R620-E684 IonicContact CZ-OE2 3.86Å; R620-E684 IonicContact NH1-OE1 2.84Å; R620-E684 PolarHBondContact NH1-OE1 3.49Å; R620-E684 IonicContact NH1-OE2 3.05Å; R620-E684 PolarHBondContact NH1-OE2 3.26Å; R620-E684 IonicContact NH2-OE1 3.94Å; R620-E684 IonicContact NH2-OE2 3.69Å; R620-E684 PolarHBondContact NH2-OE2 3.35Å
621R90.6Very high91.7Very high133 Ų13343.9 Ų43.950%0.50220%0.204SC..Hα-helixtrans-63.3-41.2174.6-75.9176.7175.5160.9-2112.1I617 E618 I619 L624 R625 E688I617-R621 WeakPolarHBondContact O-CB 3.34Å; I617-R621 WeakPolarHBondContact O-CG 3.47Å; I617-R621 PolarHBondContact O-N 3.24Å; E618-R621 PolarHBondContact O-N 3.14Å; I619-R621 PolarHBondContact O-N 2.85Å; R621-L624 PolarHBondContact O-N 2.84Å; R621-R625 WeakPolarHBondContact O-CB 3.46Å; R621-R625 PolarHBondContact O-N 3.17Å; R621-E688 IonicContact CZ-OE1 3.6Å; R621-E688 IonicContact NH2-OE1 3.72Å; R621-E688 PolarHBondContact NH2-OE1 3.38Å
622F90.9Very high91.6Very high1 Ų145.4 Ų45.40%0.00422%0.215CC..Hα-helixtrans-62.2-45.3176.9179.7-96.8000112.4L552 L578 I582 Y585 F598 E618 I619 R625 K626L552-F622 HydrophobicContact CD1-CE1 4.17Å; L578-F622 HydrophobicContact CD1-CD1 4.41Å; I582-F622 HydrophobicContact CG1-CD1 4.08Å; I582-F622 HydrophobicContact CG1-CE1 3.95Å; Y585-F622 HydrophobicContact CD1-CE2 4.13Å; Y585-F622 AromaticContact CD2-CE2 3.76Å; Y585-F622 HydrophobicContact CD2-CE2 3.76Å; Y585-F622 HydrophobicContact CD2-CZ 4.39Å; Y585-F622 HydrophobicContact CE1-CE2 4.44Å; Y585-F622 HydrophobicContact CE2-CE2 4.07Å; Y585-F622 AromaticContact CG-CE2 3.78Å; Y585-F622 HydrophobicContact CG-CE2 3.78Å; Y585-F622 HydrophobicContact CG-CZ 4.31Å; F598-F622 HydrophobicContact CE1-CB 4.27Å; F598-F622 HydrophobicContact CE2-CB 4.28Å; F598-F622 AromaticContact CE2-CD2 3.71Å; F598-F622 HydrophobicContact CE2-CD2 3.71Å; F598-F622 HydrophobicContact CE2-CE2 4.19Å; F598-F622 AromaticContact CE2-CG 3.99Å; F598-F622 HydrophobicContact CE2-CG 3.99Å; F598-F622 HydrophobicContact CZ-CB 3.51Å; F598-F622 HydrophobicContact CZ-CD1 4.1Å; F598-F622 AromaticContact CZ-CD2 3.77Å; F598-F622 HydrophobicContact CZ-CD2 3.77Å; F598-F622 AromaticContact CZ-CG 3.53Å; F598-F622 HydrophobicContact CZ-CG 3.53Å; E618-F622 WeakPolarHBondContact O-CB 3.38Å; E618-F622 PolarHBondContact O-N 3.36Å; I619-F622 WeakPolarHBondContact O-CB 3.47Å; I619-F622 PolarHBondContact O-N 2.98Å; I619-F622 VanDerWaalsContact O-N 3.17Å; F622-R625 PolarHBondContact O-N 2.98Å; F622-K626 HydrophobicContact CE1-CG 4.19Å; F622-K626 HydrophobicContact CZ-CG 4.23Å; F622-K626 WeakPolarHBondContact O-CG 3.48Å; F622-K626 PolarHBondContact O-N 3.17Å; F622-K626 VanDerWaalsContact O-N 3.09Å
623V95.4Very high91.4Very high0 Ų048.6 Ų48.60%023%0.233CC..Hα-helixtrans-63-48.5176.7173.70000110.4L552 L578 I619 R620 R625 K626 M627 I645 L647L552-V623 HydrophobicContact CD1-CG2 4.47Å; L578-V623 HydrophobicContact CD1-CG2 3.6Å; L578-V623 HydrophobicContact CD2-CG2 4.16Å; I619-V623 HydrophobicContact CG2-CG2 4.22Å; I619-V623 WeakPolarHBondContact O-CG2 3.3Å; I619-V623 PolarHBondContact O-N 3.37Å; R620-V623 PolarHBondContact O-N 3.12Å; V623-R625 VanDerWaalsContact C-N 3.3Å; V623-R625 PolarHBondContact O-N 3.44Å; V623-K626 PolarHBondContact O-N 3.23Å; V623-K626 VanDerWaalsContact O-N 3.16Å; V623-M627 HydrophobicContact CG1-CG 4.28Å; V623-M627 HydrophobicContact CG1-SD 3.85Å; V623-M627 WeakPolarHBondContact O-CB 3.27Å; V623-M627 VanDerWaalsContact O-CG 3.29Å; V623-M627 WeakPolarHBondContact O-CG 3.42Å; V623-M627 PolarHBondContact O-N 2.96Å; V623-I645 HydrophobicContact CB-CD1 3.99Å; V623-I645 HydrophobicContact CG1-CD1 3.71Å; V623-L647 HydrophobicContact CB-CD2 4.26Å; V623-L647 HydrophobicContact CG1-CD2 4.04Å; V623-L647 HydrophobicContact CG2-CD1 4.39Å; V623-L647 HydrophobicContact CG2-CD2 4.41Å
624L95.8Very high91Very high30 Ų3055.4 Ų55.416%0.15726%0.262CS..Hα-helixtrans-57-42.8177.5177.858.7000112.3R620 R621 M627 N628 V642 K643 I645R620-L624 WeakPolarHBondContact O-CB 3.37Å; R620-L624 PolarHBondContact O-N 3.35Å; R621-L624 PolarHBondContact O-N 2.84Å; L624-M627 WeakPolarHBondContact O-CB 3.32Å; L624-M627 PolarHBondContact O-N 3.48Å; L624-N628 WeakPolarHBondContact CD1-ND2 3.39Å; L624-N628 WeakPolarHBondContact O-CB 3.43Å; L624-N628 PolarHBondContact O-N 2.73Å; L624-V642 HydrophobicContact CD1-CG1 4.23Å; L624-V642 WeakPolarHBondContact CD1-O 3.27Å; L624-K643 VanDerWaalsContact CD2-O 3.27Å; L624-K643 WeakPolarHBondContact CD2-O 3.31Å; L624-I645 HydrophobicContact CB-CD1 3.85Å; L624-I645 HydrophobicContact CB-CG1 4.12Å; L624-I645 HydrophobicContact CD1-CG2 4.04Å
625R93.2Very high90.4Very high70 Ų7057.6 Ų57.626%0.26429%0.287SS..Hα-helixtrans-60.4-48.7176.3-178.8174.163.1166.96.6111.4Y585 D594 I597 R621 F622 V623 M627 N628 E629Y585-R625 PolarHBondContact OH-NH2 3.19Å; D594-R625 IonicContact OD2-CZ 3.68Å; D594-R625 IonicContact OD2-NH1 2.69Å; D594-R625 PolarHBondContact OD2-NH1 2.96Å; D594-R625 IonicContact OD2-NH2 3.24Å; I597-R625 VanDerWaalsContact CD1-CZ 3.43Å; I597-R625 VanDerWaalsContact CD1-NH1 3.31Å; R621-R625 WeakPolarHBondContact O-CB 3.46Å; R621-R625 PolarHBondContact O-N 3.17Å; F622-R625 PolarHBondContact O-N 2.98Å; V623-R625 VanDerWaalsContact C-N 3.3Å; V623-R625 PolarHBondContact O-N 3.44Å; R625-M627 VanDerWaalsContact C-N 3.32Å; R625-M627 PolarHBondContact O-N 2.95Å; R625-N628 PolarHBondContact O-N 3.12Å; R625-N628 VanDerWaalsContact O-N 3.12Å; R625-E629 WeakPolarHBondContact O-CG 3.29Å; R625-E629 PolarHBondContact O-N 3.43Å
626K93.8Very high90Very high49 Ų4951.2 Ų51.221%0.21326%0.26CS..Hα-helixtrans-64-37178.7-71.6-73165.5-135.40112.7L552 F622 V623 E629 V630L552-K626 HydrophobicContact CD1-CB 3.72Å; L552-K626 HydrophobicContact CD1-CG 3.9Å; F622-K626 HydrophobicContact CE1-CG 4.19Å; F622-K626 HydrophobicContact CZ-CG 4.23Å; F622-K626 WeakPolarHBondContact O-CG 3.48Å; F622-K626 PolarHBondContact O-N 3.17Å; F622-K626 VanDerWaalsContact O-N 3.09Å; V623-K626 PolarHBondContact O-N 3.23Å; V623-K626 VanDerWaalsContact O-N 3.16Å; K626-E629 WeakPolarHBondContact CD-OE2 3.44Å; K626-E629 IonicContact NZ-OE1 2.77Å; K626-E629 PolarHBondContact NZ-OE1 3Å; K626-E629 IonicContact NZ-OE2 2.78Å; K626-E629 PolarHBondContact NZ-OE2 3.16Å; K626-V630 PolarHBondContact O-N 3.34Å
627M96.4Very high89.5Confident0 Ų056.3 Ų56.30%028%0.28CS..Hα-helixtrans-60.5-46.3170.5-73.4175.160.900111.6Y547 I553 I556 V571 V623 L624 R625 V630 A631 I645Y547-M627 HydrophobicContact CD1-CB 3.71Å; Y547-M627 HydrophobicContact CD1-CE 3.68Å; Y547-M627 HydrophobicContact CD1-CG 4.25Å; Y547-M627 HydrophobicContact CE1-CB 3.76Å; Y547-M627 HydrophobicContact CE1-CE 4.04Å; Y547-M627 WeakPolarHBondContact CE1-O 3.29Å; Y547-M627 HydrophobicContact CG-CE 3.94Å; I553-M627 HydrophobicContact CD1-CE 3.85Å; I553-M627 HydrophobicContact CD1-CG 3.63Å; I553-M627 HydrophobicContact CD1-SD 3.77Å; I553-M627 HydrophobicContact CG1-CG 4.33Å; I553-M627 HydrophobicContact CG1-SD 4.43Å; I556-M627 HydrophobicContact CD1-CE 3.63Å; V571-M627 HydrophobicContact CG2-CE 3.89Å; V571-M627 HydrophobicContact CG2-SD 3.84Å; V623-M627 HydrophobicContact CG1-CG 4.28Å; V623-M627 HydrophobicContact CG1-SD 3.85Å; V623-M627 WeakPolarHBondContact O-CB 3.27Å; V623-M627 VanDerWaalsContact O-CG 3.29Å; V623-M627 WeakPolarHBondContact O-CG 3.42Å; V623-M627 PolarHBondContact O-N 2.96Å; L624-M627 WeakPolarHBondContact O-CB 3.32Å; L624-M627 PolarHBondContact O-N 3.48Å; R625-M627 VanDerWaalsContact C-N 3.32Å; R625-M627 PolarHBondContact O-N 2.95Å; M627-V630 WeakPolarHBondContact O-CB 3.49Å; M627-V630 PolarHBondContact O-N 2.7Å; M627-A631 PolarHBondContact O-N 2.73Å; M627-I645 HydrophobicContact CE-CG2 4.09Å; M627-I645 HydrophobicContact SD-CD1 3.92Å; M627-I645 HydrophobicContact SD-CG2 4.25Å
628N94.7Very high89.3Confident29 Ų2955.6 Ų55.616%0.15529%0.289CS..Hα-helixtrans-75-24.8-176.9-78.1-19.5000113.8Y547 L624 R625 A631 T632 M641 V642Y547-N628 PolarHBondContact OH-OD1 3.29Å; L624-N628 WeakPolarHBondContact CD1-ND2 3.39Å; L624-N628 WeakPolarHBondContact O-CB 3.43Å; L624-N628 PolarHBondContact O-N 2.73Å; R625-N628 PolarHBondContact O-N 3.12Å; R625-N628 VanDerWaalsContact O-N 3.12Å; N628-A631 PolarHBondContact O-N 3.45Å; N628-T632 WeakPolarHBondContact O-CB 3.22Å; N628-T632 PolarHBondContact O-N 3.06Å; N628-T632 PolarHBondContact O-OG1 2.9Å; N628-M641 HydrophobicContact CB-CE 3.65Å; N628-V642 PolarHBondContact ND2-O 3.07Å; N628-V642 PolarHBondContact OD1-O 3.3Å
629E94.1Very high89Confident78 Ų7853.8 Ų53.836%0.36428%0.28SS..Hα-helixtrans-58-51164.4-72.7168.6-152.800110.1R625 K626 A631 T632 D633R625-E629 WeakPolarHBondContact O-CG 3.29Å; R625-E629 PolarHBondContact O-N 3.43Å; K626-E629 WeakPolarHBondContact CD-OE2 3.44Å; K626-E629 IonicContact NZ-OE1 2.77Å; K626-E629 PolarHBondContact NZ-OE1 3Å; K626-E629 IonicContact NZ-OE2 2.78Å; K626-E629 PolarHBondContact NZ-OE2 3.16Å; E629-A631 PolarHBondContact O-N 3.38Å; E629-T632 PolarHBondContact O-N 2.86Å; E629-D633 PolarHBondContact O-N 2.98Å
630V91.5Very high88.9Confident31 Ų3154.3 Ų54.319%0.18828%0.282CS..Hα-helixtrans-61.9-42.9177176.20000112C550 K626 M627 T632 D633 K634C550-V630 HydrophobicContact CB-CG2 4.05Å; K626-V630 PolarHBondContact O-N 3.34Å; M627-V630 WeakPolarHBondContact O-CB 3.49Å; M627-V630 PolarHBondContact O-N 2.7Å; V630-T632 VanDerWaalsContact C-N 3.32Å; V630-T632 PolarHBondContact O-N 2.77Å; V630-D633 PolarHBondContact O-N 3.45Å; V630-K634 HydrophobicContact CG1-CG 4.36Å; V630-K634 WeakPolarHBondContact O-CB 3.36Å; V630-K634 VanDerWaalsContact O-CG 3.28Å; V630-K634 WeakPolarHBondContact O-CG 3.46Å; V630-K634 PolarHBondContact O-N 3.43Å
631A88.9Confident88.9Confident0 Ų053.9 Ų53.90%028%0.282CS..Hα-helixtrans-59.7-42.3177.100000112.4Y547 M627 N628 E629 K634 G635 L636 M641Y547-A631 HydrophobicContact CE1-CB 3.75Å; M627-A631 PolarHBondContact O-N 2.73Å; N628-A631 PolarHBondContact O-N 3.45Å; E629-A631 PolarHBondContact O-N 3.38Å; A631-K634 CarbonylContact O-C 3.55Å; A631-K634 PolarHBondContact O-N 3.05Å; A631-G635 PolarHBondContact O-N 3.19Å; A631-G635 VanDerWaalsContact O-N 3.12Å; A631-L636 HydrophobicContact CB-CB 4.23Å; A631-L636 HydrophobicContact CB-CD1 3.82Å; A631-L636 HydrophobicContact CB-CG 4.26Å; A631-L636 PolarHBondContact O-N 3.35Å; A631-M641 HydrophobicContact CB-CE 4.35Å
632T90.8Very high89.2Confident89 Ų8947.6 Ų47.655%0.54626%0.258SS..Hα-helixtrans-66-46.7178.2-55.80000110.6N628 E629 V630 K634 G635N628-T632 WeakPolarHBondContact O-CB 3.22Å; N628-T632 PolarHBondContact O-N 3.06Å; N628-T632 PolarHBondContact O-OG1 2.9Å; E629-T632 PolarHBondContact O-N 2.86Å; V630-T632 VanDerWaalsContact C-N 3.32Å; V630-T632 PolarHBondContact O-N 2.77Å; T632-K634 PolarHBondContact O-N 3.5Å; T632-G635 PolarHBondContact O-N 3.31Å
633D85.4Confident89.3Confident143 Ų14352.6 Ų52.677%0.76528%0.28SS*.Hα-helixtrans-61.1-30177.2-75.9-3.7000112.6E629 V630E629-D633 PolarHBondContact O-N 2.98Å; V630-D633 PolarHBondContact O-N 3.45Å
634K81.7Confident89.4Confident145 Ų14553 Ų5363%0.6328%0.283SS*.THydrogen-bonded Turntrans-90.62.7176.5-64.7-65.5-175.6179.80113.8V546 V630 A631 T632V546-K634 HydrophobicContact CG1-CB 3.75Å; V546-K634 HydrophobicContact CG1-CG 4.01Å; V546-K634 HydrophobicContact CG2-CB 4.39Å; V630-K634 HydrophobicContact CG1-CG 4.36Å; V630-K634 WeakPolarHBondContact O-CB 3.36Å; V630-K634 VanDerWaalsContact O-CG 3.28Å; V630-K634 WeakPolarHBondContact O-CG 3.46Å; V630-K634 PolarHBondContact O-N 3.43Å; A631-K634 CarbonylContact O-C 3.55Å; A631-K634 PolarHBondContact O-N 3.05Å; T632-K634 PolarHBondContact O-N 3.5Å
635G79.6Confident89.5Confident58 Ų5851.6 Ų51.660%0.59828%0.276SS*.THydrogen-bonded Turntrans7228.8173.500000114.8A631 T632A631-G635 PolarHBondContact O-N 3.19Å; A631-G635 VanDerWaalsContact O-N 3.12Å; T632-G635 PolarHBondContact O-N 3.31Å
636L82.6Confident89.7Confident16 Ų1651.8 Ų51.88%0.08428%0.277CS..  trans-63.2137.3170.5-69.8-169.5000110.4L543 V546 Y547 A631 E640L543-L636 HydrophobicContact CD1-CD2 4.47Å; L543-L636 HydrophobicContact CG-CD1 4.29Å; V546-L636 HydrophobicContact CB-CD1 4.17Å; V546-L636 HydrophobicContact CG1-CD1 3.75Å; V546-L636 HydrophobicContact CG1-CG 4.01Å; V546-L636 HydrophobicContact CG2-CD2 4.17Å; Y547-L636 HydrophobicContact CE2-CD1 4.18Å; A631-L636 HydrophobicContact CB-CB 4.23Å; A631-L636 HydrophobicContact CB-CD1 3.82Å; A631-L636 HydrophobicContact CB-CG 4.26Å; A631-L636 PolarHBondContact O-N 3.35Å; L636-E640 HydrophobicContact CB-CB 4.21Å; L636-E640 HydrophobicContact CD2-CB 4.44Å
637K78.3Confident89.9Confident125 Ų12549.4 Ų49.454%0.54327%0.267SS..  trans-70.3157.3177.1-61.6178.8-178.4179.30110.3F639 E640 M641K637-F639 HydrophobicContact CB-CD1 3.98Å; K637-F639 HydrophobicContact CB-CE1 3.78Å; K637-F639 HydrophobicContact CB-CZ 4.23Å; K637-F639 HydrophobicContact CD-CD1 4.39Å; K637-F639 HydrophobicContact CD-CE1 3.4Å; K637-F639 VanDerWaalsContact CD-CE1 3.4Å; K637-F639 HydrophobicContact CD-CZ 3.58Å; K637-F639 HydrophobicContact CG-CE1 4.26Å; K637-F639 PolarHBondContact O-N 3.43Å; K637-F639 VanDerWaalsContact O-N 3.1Å; K637-E640 HydrophobicContact CB-CG 4.18Å; K637-E640 PolarHBondContact N-OE2 2.63Å; K637-E640 WeakPolarHBondContact O-CA 3.42Å; K637-E640 WeakPolarHBondContact O-CB 3.34Å; K637-E640 PolarHBondContact O-N 3.46Å; K637-M641 WeakPolarHBondContact O-CG 3.47Å; K637-M641 PolarHBondContact O-N 3.08Å
638G81.5Confident89.9Confident51 Ų5149.8 Ų49.853%0.52627%0.269SS..THydrogen-bonded Turntrans-54.6-34.8-177.700000114.7M641G638-M641 PolarHBondContact O-N 3.21Å
639F81.2Confident89.8Confident38 Ų3851 Ų5117%0.16728%0.275CS..THydrogen-bonded Turntrans-79.2-15.6175.568.1-100.8000114.3L532 Q534 E536 V538 P567 K637L532-F639 HydrophobicContact CD1-CB 4.25Å; L532-F639 HydrophobicContact CD1-CD2 4.26Å; L532-F639 WeakPolarHBondContact CD1-O 3.44Å; Q534-F639 VanDerWaalsContact NE2-CB 3.26Å; E536-F639 HydrophobicContact CB-CD2 3.86Å; E536-F639 HydrophobicContact CB-CE1 4.48Å; E536-F639 HydrophobicContact CB-CE2 3.74Å; E536-F639 HydrophobicContact CB-CG 4.31Å; E536-F639 HydrophobicContact CB-CZ 4.06Å; E536-F639 HydrophobicContact CG-CD1 4.08Å; E536-F639 HydrophobicContact CG-CD2 4.21Å; E536-F639 HydrophobicContact CG-CE1 3.9Å; E536-F639 HydrophobicContact CG-CE2 4.07Å; E536-F639 HydrophobicContact CG-CG 4.22Å; E536-F639 HydrophobicContact CG-CZ 3.9Å; E536-F639 WeakPolarHBondContact OE2-CZ 3.49Å; V538-F639 HydrophobicContact CG2-CD2 3.86Å; V538-F639 HydrophobicContact CG2-CE2 4.04Å; P567-F639 WeakPolarHBondContact CD-O 3.39Å; K637-F639 HydrophobicContact CB-CD1 3.98Å; K637-F639 HydrophobicContact CB-CE1 3.78Å; K637-F639 HydrophobicContact CB-CZ 4.23Å; K637-F639 HydrophobicContact CD-CD1 4.39Å; K637-F639 HydrophobicContact CD-CE1 3.4Å; K637-F639 VanDerWaalsContact CD-CE1 3.4Å; K637-F639 HydrophobicContact CD-CZ 3.58Å; K637-F639 HydrophobicContact CG-CE1 4.26Å; K637-F639 PolarHBondContact O-N 3.43Å; K637-F639 VanDerWaalsContact O-N 3.1Å
640E87.4Confident89.7Confident13 Ų1351 Ų516%0.06128%0.278CS..THydrogen-bonded Turntrans-85.9-14.8173.4-62.4-177.512100111.4K542 L543 L636 K637 V642K542-E640 IonicContact NZ-OE1 2.78Å; K542-E640 PolarHBondContact NZ-OE1 3.01Å; K542-E640 IonicContact NZ-OE2 3.67Å; K542-E640 PolarHBondContact NZ-OE2 3.34Å; L543-E640 HydrophobicContact CD1-CB 4.12Å; L543-E640 HydrophobicContact CD1-CG 4.41Å; L543-E640 HydrophobicContact CD2-CB 4.42Å; L543-E640 WeakPolarHBondContact CD2-O 3.43Å; L543-E640 HydrophobicContact CG-CB 4.41Å; L636-E640 HydrophobicContact CB-CB 4.21Å; L636-E640 HydrophobicContact CD2-CB 4.44Å; K637-E640 HydrophobicContact CB-CG 4.18Å; K637-E640 PolarHBondContact N-OE2 2.63Å; K637-E640 WeakPolarHBondContact O-CA 3.42Å; K637-E640 WeakPolarHBondContact O-CB 3.34Å; K637-E640 PolarHBondContact O-N 3.46Å; E640-V642 PolarHBondContact O-N 3.34Å
641M93.5Very high89.7Confident33 Ų3352.2 Ų52.216%0.16329%0.286CS..SBendtrans-73.7124.4-179.8-62.3-174.480.600111Y547 N628 A631 K637 G638 K643Y547-M641 WeakPolarHBondContact OH-CA 3.46Å; N628-M641 HydrophobicContact CB-CE 3.65Å; A631-M641 HydrophobicContact CB-CE 4.35Å; K637-M641 WeakPolarHBondContact O-CG 3.47Å; K637-M641 PolarHBondContact O-N 3.08Å; G638-M641 PolarHBondContact O-N 3.21Å; M641-K643 PolarHBondContact O-N 3.11Å
642V96Very high89.9Confident0 Ų052.4 Ų52.40%029%0.287CS..  trans-59.6125.1169.5170.50000109.5Y547 V558 P567 A569 L624 N628 E640 S644 I645Y547-V642 HydrophobicContact CD2-CG2 4.29Å; Y547-V642 HydrophobicContact CE2-CB 4.09Å; Y547-V642 HydrophobicContact CE2-CG2 3.52Å; Y547-V642 PolarHBondContact OH-N 3.42Å; V558-V642 HydrophobicContact CG1-CG2 4.33Å; V558-V642 HydrophobicContact CG2-CG2 4.26Å; P567-V642 HydrophobicContact CB-CG2 4.46Å; P567-V642 HydrophobicContact CG-CG2 4.21Å; P567-V642 WeakPolarHBondContact O-CA 3.38Å; A569-V642 HydrophobicContact CB-CG1 3.91Å; A569-V642 HydrophobicContact CB-CG2 4.02Å; L624-V642 HydrophobicContact CD1-CG1 4.23Å; L624-V642 WeakPolarHBondContact CD1-O 3.27Å; N628-V642 PolarHBondContact ND2-O 3.07Å; N628-V642 PolarHBondContact OD1-O 3.3Å; E640-V642 PolarHBondContact O-N 3.34Å; V642-S644 VanDerWaalsContact CG1-O 3.29Å; V642-S644 WeakPolarHBondContact CG1-O 3.43Å; V642-I645 HydrophobicContact CG1-CG2 3.47Å; V642-I645 VanDerWaalsContact CG1-CG2 3.47Å
643K94Very high89.8Confident106 Ų10650.2 Ų50.246%0.46127%0.273SS..  trans-97.5-24.3-179.1-70.5-66.5-173.2177.50114.3F566 P567 L624 M641 T685F566-K643 HydrophobicContact CB-CB 4.25Å; F566-K643 HydrophobicContact CB-CG 3.51Å; F566-K643 HydrophobicContact CD1-CB 4.28Å; F566-K643 HydrophobicContact CD1-CG 3.81Å; F566-K643 HydrophobicContact CD2-CB 3.46Å; F566-K643 VanDerWaalsContact CD2-CB 3.46Å; F566-K643 HydrophobicContact CD2-CG 3.69Å; F566-K643 HydrophobicContact CE2-CB 3.85Å; F566-K643 HydrophobicContact CE2-CG 4.4Å; F566-K643 HydrophobicContact CG-CB 3.73Å; F566-K643 HydrophobicContact CG-CG 3.37Å; F566-K643 HydrophobicContact CZ-CB 4.46Å; P567-K643 PolarHBondContact O-N 3.27Å; P567-K643 VanDerWaalsContact O-N 3.09Å; L624-K643 VanDerWaalsContact CD2-O 3.27Å; L624-K643 WeakPolarHBondContact CD2-O 3.31Å; M641-K643 PolarHBondContact O-N 3.11Å; K643-T685 HydrophobicContact CB-CG2 4.38Å
644S96.3Very high89.4Confident9 Ų945.4 Ų45.46%0.06325%0.249CC..EExtended strand (participates in β ladder)trans-145.5145.5178.5-166.80000110.5V568 A569 V642 L681V568-S644 WeakPolarHBondContact CA-O 3.16Å; V568-S644 WeakPolarHBondContact CB-O 3.38Å; A569-S644 PolarHBondContact N-O 2.72Å; V642-S644 VanDerWaalsContact CG1-O 3.29Å; V642-S644 WeakPolarHBondContact CG1-O 3.43Å; S644-L681 WeakPolarHBondContact OG-CD2 3.44Å
645I97.7Very high89.4Confident1 Ų146.6 Ų46.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-132.2150.1-178.761.1174.8000112.2A569 V571 R620 V623 L624 M627 V642 L647 L681A569-I645 HydrophobicContact CB-CG2 4.1Å; A569-I645 CarbonylContact O-C 3.5Å; A569-I645 WeakPolarHBondContact O-CA 3.4Å; V571-I645 HydrophobicContact CG2-CB 4.25Å; V571-I645 HydrophobicContact CG2-CD1 4.47Å; V571-I645 HydrophobicContact CG2-CG2 4.11Å; R620-I645 WeakPolarHBondContact CD-O 3.48Å; R620-I645 HydrophobicContact CG-CD1 4.44Å; R620-I645 HydrophobicContact CG-CG1 3.83Å; R620-I645 WeakPolarHBondContact CG-O 3.38Å; V623-I645 HydrophobicContact CB-CD1 3.99Å; V623-I645 HydrophobicContact CG1-CD1 3.71Å; L624-I645 HydrophobicContact CB-CD1 3.85Å; L624-I645 HydrophobicContact CB-CG1 4.12Å; L624-I645 HydrophobicContact CD1-CG2 4.04Å; M627-I645 HydrophobicContact CE-CG2 4.09Å; M627-I645 HydrophobicContact SD-CD1 3.92Å; M627-I645 HydrophobicContact SD-CG2 4.25Å; V642-I645 HydrophobicContact CG1-CG2 3.47Å; V642-I645 VanDerWaalsContact CG1-CG2 3.47Å; I645-L647 HydrophobicContact CD1-CD2 3.82Å; I645-L647 HydrophobicContact CG1-CD2 4.46Å; I645-L681 VanDerWaalsContact C-CD2 3.41Å; I645-L681 VanDerWaalsContact O-CD2 3.31Å; I645-L681 WeakPolarHBondContact O-CD2 3.32Å
646Y97.6Very high89.8Confident73 Ų7346.5 Ų46.529%0.28624%0.243SC..EExtended strand (participates in β ladder)trans-106.9129.3164.2175.3-103.5000109.2A569 V570 V571 N648 I677A569-Y646 PolarHBondContact O-N 2.68Å; V570-Y646 HydrophobicContact CG1-CD1 4.06Å; V570-Y646 HydrophobicContact CG2-CD1 4.46Å; V571-Y646 PolarHBondContact N-O 2.88Å; Y646-N648 HydrophobicContact CD1-CB 4Å; Y646-N648 HydrophobicContact CE1-CB 3.82Å; Y646-I677 VanDerWaalsContact CB-CG2 3.41Å; Y646-I677 HydrophobicContact CD1-CD1 4.09Å; Y646-I677 HydrophobicContact CD1-CG2 3.83Å; Y646-I677 HydrophobicContact CD2-CG2 3.87Å; Y646-I677 HydrophobicContact CE1-CD1 3.77Å; Y646-I677 HydrophobicContact CE2-CD1 4.27Å; Y646-I677 HydrophobicContact CG-CD1 4.47Å; Y646-I677 HydrophobicContact CG-CG2 3.43Å; Y646-I677 VanDerWaalsContact CG-CG2 3.43Å
647L97.8Very high89.8Confident0 Ų046.9 Ų46.90%025%0.251CS..EExtended strand (participates in β ladder)trans-86.8124.7172.8-58.5-172.9000108.8V571 P573 C614 I619 R620 V623 I645V571-L647 HydrophobicContact CB-CD2 4.16Å; V571-L647 HydrophobicContact CG1-CD2 4.35Å; V571-L647 CarbonylContact O-C 3.57Å; V571-L647 WeakPolarHBondContact O-CA 3.43Å; P573-L647 HydrophobicContact CG-CB 4.38Å; P573-L647 HydrophobicContact CG-CD2 4.23Å; C614-L647 HydrophobicContact CB-CB 3.78Å; C614-L647 WeakPolarHBondContact CB-O 3.34Å; I619-L647 HydrophobicContact CG2-CD1 3.89Å; R620-L647 HydrophobicContact CB-CD1 4.27Å; R620-L647 HydrophobicContact CB-CG 4.38Å; R620-L647 HydrophobicContact CG-CG 4.23Å; V623-L647 HydrophobicContact CB-CD2 4.26Å; V623-L647 HydrophobicContact CG1-CD2 4.04Å; V623-L647 HydrophobicContact CG2-CD1 4.39Å; V623-L647 HydrophobicContact CG2-CD2 4.41Å; I645-L647 HydrophobicContact CD1-CD2 3.82Å; I645-L647 HydrophobicContact CG1-CD2 4.46Å
648N96.4Very high90.2Very high7 Ų741.1 Ų41.14%0.03723%0.226CC..  trans-116.1117.9-172.8176.147.3000110.2V570 V571 T572 P573 Y646 N650V570-N648 HydrophobicContact CG1-CB 3.7Å; V571-N648 PolarHBondContact O-N 2.87Å; T572-N648 WeakPolarHBondContact CA-O 3.38Å; T572-N648 PolarHBondContact OG1-ND2 3.05Å; T572-N648 VanDerWaalsContact OG1-ND2 3.11Å; T572-N648 PolarHBondContact OG1-O 3.21Å; P573-N648 WeakPolarHBondContact CD-O 3.28Å; Y646-N648 HydrophobicContact CD1-CB 4Å; Y646-N648 HydrophobicContact CE1-CB 3.82Å; N648-N650 PolarHBondContact ND2-O 3.46Å; N648-N650 PolarHBondContact OD1-N 3.23Å
649D92.9Very high90.3Very high54 Ų5439.3 Ų39.329%0.28920%0.204SC..SBendtrans-86-5.8179.562-11.2000113.8F575 D610 N611 P651F575-D649 HydrophobicContact CZ-CB 4.09Å; D610-D649 HydrophobicContact CB-CB 4.46Å; N611-D649 WeakPolarHBondContact CA-OD2 3.33Å; N611-D649 VanDerWaalsContact CB-OD2 3.26Å; N611-D649 WeakPolarHBondContact CB-OD2 3.39Å; N611-D649 PolarHBondContact ND2-OD2 3.17Å; D649-P651 WeakPolarHBondContact O-CD 3.42Å
650N92.2Very high90Very high80 Ų8038.8 Ų38.843%0.42820%0.204SC..SBendtrans-105.999.9177.5-174.620.9000111.5N648N648-N650 PolarHBondContact ND2-O 3.46Å; N648-N650 PolarHBondContact OD1-N 3.23Å
651P92.3Very high89Confident55 Ų5540.1 Ų40.136%0.35721%0.214SC..  trans-55150.9-177-25.334.2000113.7T572 D649 T653 N656T572-P651 HydrophobicContact CG2-CB 4.4Å; T572-P651 HydrophobicContact CG2-CG 4.22Å; D649-P651 WeakPolarHBondContact O-CD 3.42Å; P651-T653 PolarHBondContact O-N 3.39Å; P651-N656 PolarHBondContact O-ND2 3.44Å
652F93Very high87.7Confident5 Ų541.3 Ų41.32%0.02222%0.223CC..  trans-70125.8171-49.3-23.7000108.9Q555 F557 V570 L658 L659 I665 F674Q555-F652 HydrophobicContact CB-CD2 3.98Å; Q555-F652 HydrophobicContact CB-CE2 4.1Å; Q555-F652 PolarHBondContact NE2-O 3.43Å; F557-F652 HydrophobicContact CB-CE2 3.83Å; F557-F652 HydrophobicContact CB-CZ 3.86Å; V570-F652 HydrophobicContact CG1-CE1 4.27Å; V570-F652 HydrophobicContact CG1-CZ 4.08Å; F652-L658 HydrophobicContact CB-CB 3.77Å; F652-L658 HydrophobicContact CD1-CB 4.19Å; F652-L658 HydrophobicContact CD1-CD1 3.58Å; F652-L658 HydrophobicContact CE1-CD1 4.25Å; F652-L658 HydrophobicContact CG-CB 4.13Å; F652-L658 HydrophobicContact CG-CD1 4.35Å; F652-L659 HydrophobicContact CB-CD2 3.89Å; F652-L659 HydrophobicContact CB-CG 3.9Å; F652-L659 VanDerWaalsContact O-CD1 3.23Å; F652-L659 WeakPolarHBondContact O-CD1 3.3Å; F652-I665 HydrophobicContact CD2-CD1 4.27Å; F652-I665 HydrophobicContact CD2-CG1 4.29Å; F652-I665 HydrophobicContact CE2-CD1 4.23Å; F652-F674 HydrophobicContact CD1-CE2 4.32Å; F652-F674 HydrophobicContact CD1-CZ 4.38Å; F652-F674 AromaticContact CE1-CE2 3.55Å; F652-F674 HydrophobicContact CE1-CE2 3.55Å; F652-F674 AromaticContact CE1-CZ 3.62Å; F652-F674 HydrophobicContact CE1-CZ 3.62Å; F652-F674 HydrophobicContact CZ-CE2 4.1Å; F652-F674 HydrophobicContact CZ-CZ 4.46Å
653T88.3Confident86.6Confident42 Ų4247.5 Ų47.526%0.25825%0.254SS..  trans-133.6171.2178.6830000111.1P651 E655 N656 L658 L659P651-T653 PolarHBondContact O-N 3.39Å; T653-E655 VanDerWaalsContact C-N 3.33Å; T653-E655 WeakPolarHBondContact CB-OE2 3.2Å; T653-E655 PolarHBondContact OG1-N 2.98Å; T653-E655 PolarHBondContact OG1-OE2 2.88Å; T653-N656 PolarHBondContact N-OD1 2.93Å; T653-N656 PolarHBondContact O-OD1 3.42Å; T653-N656 PolarHBondContact OG1-N 2.82Å; T653-L658 PolarHBondContact O-N 2.92Å; T653-L659 PolarHBondContact O-N 3.09Å
654V76.7Confident85.8Confident43 Ų4347.1 Ų47.126%0.26125%0.252SS..THydrogen-bonded Turntrans-72.3-34.6173.8-1780000109.8G657 L659 T660 M663V654-G657 PolarHBondContact O-N 3.46Å; V654-G657 VanDerWaalsContact O-N 3.1Å; V654-L659 HydrophobicContact CG2-CB 4.09Å; V654-T660 WeakPolarHBondContact CG2-O 3.43Å; V654-M663 HydrophobicContact CG2-SD 4.08Å
655E81.8Confident85.2Confident169 Ų16948.6 Ų48.679%0.7926%0.259SS*.THydrogen-bonded Turntrans-66.2-39.7-178.5-58.377.2-167.100112.8T653 G657T653-E655 VanDerWaalsContact C-N 3.33Å; T653-E655 WeakPolarHBondContact CB-OE2 3.2Å; T653-E655 PolarHBondContact OG1-N 2.98Å; T653-E655 PolarHBondContact OG1-OE2 2.88Å; E655-G657 PolarHBondContact O-N 3.39Å
656N88.7Confident84.5Confident56 Ų5649.5 Ų49.530%0.29927%0.265SS..THydrogen-bonded Turntrans-83.51.8174.168.719.1000113.3P651 T653 L658P651-N656 PolarHBondContact O-ND2 3.44Å; T653-N656 PolarHBondContact N-OD1 2.93Å; T653-N656 PolarHBondContact O-OD1 3.42Å; T653-N656 PolarHBondContact OG1-N 2.82Å; N656-L658 VanDerWaalsContact C-N 3.26Å; N656-L658 PolarHBondContact O-N 3.29Å; N656-L658 VanDerWaalsContact OD1-CB 3.27Å; N656-L658 WeakPolarHBondContact OD1-CB 3.43Å; N656-L658 WeakPolarHBondContact OD1-CG 3.46Å; N656-L658 PolarHBondContact OD1-N 3.2Å
657G81.5Confident83.9Confident25 Ų2547 Ų4726%0.25826%0.255SS..THydrogen-bonded Turntrans74.38.5175.900000115.2V654 E655 N669V654-G657 PolarHBondContact O-N 3.46Å; V654-G657 VanDerWaalsContact O-N 3.1Å; E655-G657 PolarHBondContact O-N 3.39Å; G657-N669 WeakPolarHBondContact O-CB 3.28Å; G657-N669 PolarHBondContact O-ND2 2.83Å
658L88.1Confident82.8Confident3 Ų351.8 Ų51.82%0.01628%0.278CS..SBendtrans-86.6-19.3179-60178.4000112.7F652 T653 N656 S666 A670 H673 F674F652-L658 HydrophobicContact CB-CB 3.77Å; F652-L658 HydrophobicContact CD1-CB 4.19Å; F652-L658 HydrophobicContact CD1-CD1 3.58Å; F652-L658 HydrophobicContact CE1-CD1 4.25Å; F652-L658 HydrophobicContact CG-CB 4.13Å; F652-L658 HydrophobicContact CG-CD1 4.35Å; T653-L658 PolarHBondContact O-N 2.92Å; N656-L658 VanDerWaalsContact C-N 3.26Å; N656-L658 PolarHBondContact O-N 3.29Å; N656-L658 VanDerWaalsContact OD1-CB 3.27Å; N656-L658 WeakPolarHBondContact OD1-CB 3.43Å; N656-L658 WeakPolarHBondContact OD1-CG 3.46Å; N656-L658 PolarHBondContact OD1-N 3.2Å; L658-S666 PolarHBondContact O-N 3.4Å; L658-A670 HydrophobicContact CD2-CB 4.37Å; L658-H673 HydrophobicContact CD2-CB 3.87Å; L658-F674 HydrophobicContact CD1-CE2 4.07Å; L658-F674 HydrophobicContact CD1-CZ 4.13Å; L658-F674 HydrophobicContact CD2-CE2 4.45Å
659L83.3Confident82.2Confident14 Ų1454.1 Ų54.17%0.07329%0.29CS..BIsolated β-bridgetrans-110.8147.9166.4-60.4-176.6000111.6F652 T653 V654 M663 K664 I665F652-L659 HydrophobicContact CB-CD2 3.89Å; F652-L659 HydrophobicContact CB-CG 3.9Å; F652-L659 VanDerWaalsContact O-CD1 3.23Å; F652-L659 WeakPolarHBondContact O-CD1 3.3Å; T653-L659 PolarHBondContact O-N 3.09Å; V654-L659 HydrophobicContact CG2-CB 4.09Å; L659-M663 HydrophobicContact CD1-CE 3.84Å; L659-M663 HydrophobicContact CD1-SD 4.39Å; L659-K664 CarbonylContact C-O 3.53Å; L659-K664 WeakPolarHBondContact CA-O 3.44Å; L659-I665 HydrophobicContact CD2-CG1 4.02Å
660T75.6Confident82.1Confident27 Ų2751.6 Ų51.617%0.16628%0.277CS..  trans-73.7161.4166.3640000110.3V654 T662 M663 K664V654-T660 WeakPolarHBondContact CG2-O 3.43Å; T660-T662 PolarHBondContact O-N 2.86Å; T660-T662 PolarHBondContact OG1-N 3.26Å; T660-T662 PolarHBondContact OG1-OG1 2.7Å; T660-M663 WeakPolarHBondContact O-CA 3.46Å; T660-M663 PolarHBondContact O-N 2.94Å; T660-K664 WeakPolarHBondContact CG2-O 3.41Å; T660-K664 PolarHBondContact N-O 3.48Å; T660-K664 PolarHBondContact OG1-N 2.84Å; T660-K664 VanDerWaalsContact OG1-N 3.12Å; T660-K664 PolarHBondContact OG1-O 3.4Å; T660-K664 VanDerWaalsContact OG1-O 3.1Å
661P64.9Low81.9Confident41 Ų4151.4 Ų51.427%0.26627%0.27SS..THydrogen-bonded Turntrans-56-18.6172.6-26.335.3000114.4M663P661-M663 VanDerWaalsContact C-N 3.34Å
662T66.8Low81.6Confident58 Ų5856 Ų5636%0.35628%0.28SS..THydrogen-bonded Turntrans-90.910.4174.568.70000114.1T660 K664T660-T662 PolarHBondContact O-N 2.86Å; T660-T662 PolarHBondContact OG1-N 3.26Å; T660-T662 PolarHBondContact OG1-OG1 2.7Å; T662-K664 VanDerWaalsContact C-N 3.26Å; T662-K664 PolarHBondContact O-N 3.44Å
663M73.2Confident81.7Confident130 Ų13060.9 Ų60.964%0.6430%0.303SS*.SBendtrans66.316.7179.9-52.1-63.3-7000115.4V654 L659 T660 P661V654-M663 HydrophobicContact CG2-SD 4.08Å; L659-M663 HydrophobicContact CD1-CE 3.84Å; L659-M663 HydrophobicContact CD1-SD 4.39Å; T660-M663 WeakPolarHBondContact O-CA 3.46Å; T660-M663 PolarHBondContact O-N 2.94Å; P661-M663 VanDerWaalsContact C-N 3.34Å
664K76.1Confident82Confident98 Ų9859 Ų5943%0.42629%0.291SS..  trans-86.8147.9169.6-60.4-176178.9-174.40111.2G404 L659 T660 T662 S666G404-K664 WeakPolarHBondContact O-CE 3.45Å; G404-K664 PolarHBondContact O-NZ 3.41Å; L659-K664 CarbonylContact C-O 3.53Å; L659-K664 WeakPolarHBondContact CA-O 3.44Å; T660-K664 WeakPolarHBondContact CG2-O 3.41Å; T660-K664 PolarHBondContact N-O 3.48Å; T660-K664 PolarHBondContact OG1-N 2.84Å; T660-K664 VanDerWaalsContact OG1-N 3.12Å; T660-K664 PolarHBondContact OG1-O 3.4Å; T660-K664 VanDerWaalsContact OG1-O 3.1Å; T662-K664 VanDerWaalsContact C-N 3.26Å; T662-K664 PolarHBondContact O-N 3.44Å; K664-S666 PolarHBondContact O-N 3.25Å
665I83.5Confident82.7Confident40 Ų4062 Ų6221%0.20530%0.302CS..BIsolated β-bridgetrans-62.7128.5176.7-62.2173.2000110.4I556 F557 F652 L659 R667 A670I556-I665 WeakPolarHBondContact O-CD1 3.37Å; F557-I665 HydrophobicContact CD2-CG2 4.12Å; F652-I665 HydrophobicContact CD2-CD1 4.27Å; F652-I665 HydrophobicContact CD2-CG1 4.29Å; F652-I665 HydrophobicContact CE2-CD1 4.23Å; L659-I665 HydrophobicContact CD2-CG1 4.02Å; I665-R667 VanDerWaalsContact C-N 3.32Å; I665-R667 HydrophobicContact CG2-CG 4.39Å; I665-R667 PolarHBondContact O-N 2.93Å; I665-A670 HydrophobicContact CG2-CB 4.23Å
666S83Confident83.3Confident20 Ų2057.9 Ų57.914%0.1429%0.292CS..  trans-7981.4168.8-176.40000109.2L658 K664 Q668 N669 A670L658-S666 PolarHBondContact O-N 3.4Å; K664-S666 PolarHBondContact O-N 3.25Å; S666-Q668 VanDerWaalsContact C-N 3.26Å; S666-Q668 PolarHBondContact O-N 2.92Å; S666-Q668 VanDerWaalsContact O-N 3.16Å; S666-N669 PolarHBondContact O-N 2.88Å; S666-N669 WeakPolarHBondContact OG-CB 3.48Å; S666-N669 VanDerWaalsContact OG-CG 3.22Å; S666-N669 PolarHBondContact OG-ND2 3.42Å; S666-A670 PolarHBondContact O-N 3.09Å
667R86.1Confident83.6Confident20 Ų2056.7 Ų56.78%0.07529%0.286CS..Hα-helixtrans-53.9-39.3-170.8-58.7-167.683.974.216.6113.4S528 P540 E544 F557 V558 I665 A670 R671S528-R667 WeakPolarHBondContact OG-CD 3.36Å; P540-R667 VanDerWaalsContact CG-CZ 3.46Å; E544-R667 IonicContact OE1-CZ 2.84Å; E544-R667 VanDerWaalsContact OE1-CZ 3.27Å; E544-R667 IonicContact OE1-NH1 3Å; E544-R667 PolarHBondContact OE1-NH1 2.66Å; E544-R667 IonicContact OE1-NH2 3.48Å; E544-R667 PolarHBondContact OE1-NH2 2.95Å; E544-R667 IonicContact OE2-CZ 3.35Å; E544-R667 IonicContact OE2-NH1 2.78Å; E544-R667 PolarHBondContact OE2-NH1 2.85Å; E544-R667 IonicContact OE2-NH2 3.12Å; F557-R667 HydrophobicContact CE2-CB 4.24Å; F557-R667 HydrophobicContact CE2-CG 4.45Å; V558-R667 PolarHBondContact O-NH2 2.86Å; I665-R667 VanDerWaalsContact C-N 3.32Å; I665-R667 HydrophobicContact CG2-CG 4.39Å; I665-R667 PolarHBondContact O-N 2.93Å; R667-A670 PolarHBondContact O-N 3.44Å; R667-R671 WeakPolarHBondContact O-CB 3.5Å; R667-R671 WeakPolarHBondContact O-CG 3.46Å; R667-R671 PolarHBondContact O-N 3.17Å
668Q74.8Confident84.1Confident100 Ų10055.7 Ų55.747%0.46727%0.274SS..Hα-helixtrans-68.8-37.2178.9-167.5-178.229.700112.4S666 R672S666-Q668 VanDerWaalsContact C-N 3.26Å; S666-Q668 PolarHBondContact O-N 2.92Å; S666-Q668 VanDerWaalsContact O-N 3.16Å; Q668-R672 WeakPolarHBondContact O-CG 3.34Å; Q668-R672 PolarHBondContact O-N 3.17Å; Q668-R672 VanDerWaalsContact O-N 3.11Å; Q668-R672 PolarHBondContact O-NE 2.93Å
669N83.6Confident84.2Confident56 Ų5659.2 Ų59.230%0.29929%0.291SS..Hα-helixtrans-69.7-41.3173.8-67.4-7.6000110.4G657 S666 R672 H673G657-N669 WeakPolarHBondContact O-CB 3.28Å; G657-N669 PolarHBondContact O-ND2 2.83Å; S666-N669 PolarHBondContact O-N 2.88Å; S666-N669 WeakPolarHBondContact OG-CB 3.48Å; S666-N669 VanDerWaalsContact OG-CG 3.22Å; S666-N669 PolarHBondContact OG-ND2 3.42Å; N669-R672 PolarHBondContact O-N 3.46Å; N669-R672 PolarHBondContact OD1-NH2 3.4Å; N669-H673 WeakPolarHBondContact O-CB 3.16Å; N669-H673 PolarHBondContact O-N 2.98Å
670A90Very high84.7Confident1 Ų160.8 Ų60.81%0.00830%0.303CS..Hα-helixtrans-60.8-46.1174.700000111.8F557 L658 I665 S666 R667 R672 H673 F674F557-A670 HydrophobicContact CD1-CB 4.08Å; F557-A670 HydrophobicContact CD2-CB 3.92Å; F557-A670 HydrophobicContact CE1-CB 4.05Å; F557-A670 HydrophobicContact CE2-CB 3.9Å; F557-A670 HydrophobicContact CG-CB 4.02Å; F557-A670 HydrophobicContact CZ-CB 3.98Å; L658-A670 HydrophobicContact CD2-CB 4.37Å; I665-A670 HydrophobicContact CG2-CB 4.23Å; S666-A670 PolarHBondContact O-N 3.09Å; R667-A670 PolarHBondContact O-N 3.44Å; A670-R672 VanDerWaalsContact C-N 3.34Å; A670-R672 PolarHBondContact O-N 3.4Å; A670-H673 PolarHBondContact O-N 3.13Å; A670-F674 HydrophobicContact CB-CD2 4.3Å; A670-F674 WeakPolarHBondContact O-CB 3.39Å; A670-F674 VanDerWaalsContact O-CD2 3.31Å; A670-F674 WeakPolarHBondContact O-CD2 3.45Å; A670-F674 PolarHBondContact O-N 3.39Å
671R87.9Confident85.5Confident77 Ų7759.5 Ų59.529%0.29130%0.295SS..Hα-helixtrans-56.2-45.5173.8-78.8-172.5172150.43.9112.3F557 D559 R667 Q675F557-R671 HydrophobicContact CE1-CG 4.47Å; F557-R671 HydrophobicContact CZ-CG 3.69Å; D559-R671 IonicContact OD1-CZ 3.83Å; D559-R671 VanDerWaalsContact OD1-CZ 3.24Å; D559-R671 IonicContact OD1-NE 2.84Å; D559-R671 PolarHBondContact OD1-NE 2.93Å; D559-R671 IonicContact OD1-NH2 3.81Å; D559-R671 PolarHBondContact OD1-NH2 3.44Å; D559-R671 IonicContact OD2-NE 2.87Å; R667-R671 WeakPolarHBondContact O-CB 3.5Å; R667-R671 WeakPolarHBondContact O-CG 3.46Å; R667-R671 PolarHBondContact O-N 3.17Å; R671-Q675 VanDerWaalsContact O-CA 3.3Å; R671-Q675 WeakPolarHBondContact O-CA 3.49Å; R671-Q675 WeakPolarHBondContact O-CB 3.48Å; R671-Q675 PolarHBondContact O-N 2.84Å
672R87Confident86.6Confident152 Ų15257.9 Ų57.957%0.57428%0.284SS*.Hα-helixtrans-67.3-44.7177.7-77.3-176.1-78.4175.3-8.6112.1Q668 N669 A670Q668-R672 WeakPolarHBondContact O-CG 3.34Å; Q668-R672 PolarHBondContact O-N 3.17Å; Q668-R672 VanDerWaalsContact O-N 3.11Å; Q668-R672 PolarHBondContact O-NE 2.93Å; N669-R672 PolarHBondContact O-N 3.46Å; N669-R672 PolarHBondContact OD1-NH2 3.4Å; A670-R672 VanDerWaalsContact C-N 3.34Å; A670-R672 PolarHBondContact O-N 3.4Å
673H94Very high87.5Confident106 Ų10661 Ų6149%0.49130%0.298SS..Hα-helixtrans-67.1-41.8-177.6-17580.6000112.1L658 N669 A670L658-H673 HydrophobicContact CD2-CB 3.87Å; N669-H673 WeakPolarHBondContact O-CB 3.16Å; N669-H673 PolarHBondContact O-N 2.98Å; A670-H673 PolarHBondContact O-N 3.13Å
674F96Very high87.9Confident2 Ų257.9 Ų57.91%0.00928%0.281CS..THydrogen-bonded Turntrans-97.312.8-178.3-63.4-65.1000113.6F557 V570 F652 L658 A670 S676 I677 V678F557-F674 HydrophobicContact CD1-CD2 4.33Å; V570-F674 HydrophobicContact CB-CD2 4.49Å; V570-F674 HydrophobicContact CG1-CD1 4.19Å; V570-F674 HydrophobicContact CG1-CD2 4.39Å; V570-F674 HydrophobicContact CG1-CE1 3.87Å; V570-F674 HydrophobicContact CG1-CE2 4.08Å; V570-F674 HydrophobicContact CG1-CG 4.46Å; V570-F674 HydrophobicContact CG1-CZ 3.83Å; V570-F674 HydrophobicContact CG2-CB 4.03Å; V570-F674 HydrophobicContact CG2-CD1 3.97Å; V570-F674 HydrophobicContact CG2-CD2 4.13Å; V570-F674 HydrophobicContact CG2-CE1 4.5Å; V570-F674 HydrophobicContact CG2-CG 3.78Å; F652-F674 HydrophobicContact CD1-CE2 4.32Å; F652-F674 HydrophobicContact CD1-CZ 4.38Å; F652-F674 AromaticContact CE1-CE2 3.55Å; F652-F674 HydrophobicContact CE1-CE2 3.55Å; F652-F674 AromaticContact CE1-CZ 3.62Å; F652-F674 HydrophobicContact CE1-CZ 3.62Å; F652-F674 HydrophobicContact CZ-CE2 4.1Å; F652-F674 HydrophobicContact CZ-CZ 4.46Å; L658-F674 HydrophobicContact CD1-CE2 4.07Å; L658-F674 HydrophobicContact CD1-CZ 4.13Å; L658-F674 HydrophobicContact CD2-CE2 4.45Å; A670-F674 HydrophobicContact CB-CD2 4.3Å; A670-F674 WeakPolarHBondContact O-CB 3.39Å; A670-F674 VanDerWaalsContact O-CD2 3.31Å; A670-F674 WeakPolarHBondContact O-CD2 3.45Å; A670-F674 PolarHBondContact O-N 3.39Å; F674-S676 PolarHBondContact O-N 2.68Å; F674-I677 HydrophobicContact CD1-CD1 3.76Å; F674-I677 HydrophobicContact CE1-CD1 4.38Å; F674-I677 WeakPolarHBondContact O-CB 3.33Å; F674-I677 PolarHBondContact O-N 3.45Å; F674-I677 VanDerWaalsContact O-N 3.09Å; F674-V678 HydrophobicContact CB-CG2 4.29Å; F674-V678 WeakPolarHBondContact O-CG2 3.46Å; F674-V678 PolarHBondContact O-N 3.32Å
675Q91.9Very high87.5Confident107 Ų10754.6 Ų54.650%0.527%0.27SS..Hα-helixtrans-53.4-51.2-172.6-177.4179.9-12.200112.7R671 I677 V678 E679R671-Q675 VanDerWaalsContact O-CA 3.3Å; R671-Q675 WeakPolarHBondContact O-CA 3.49Å; R671-Q675 WeakPolarHBondContact O-CB 3.48Å; R671-Q675 PolarHBondContact O-N 2.84Å; Q675-I677 VanDerWaalsContact C-N 3.32Å; Q675-I677 PolarHBondContact O-N 3.22Å; Q675-V678 PolarHBondContact O-N 2.99Å; Q675-E679 WeakPolarHBondContact CG-OE1 3.28Å; Q675-E679 PolarHBondContact NE2-OE1 3.07Å; Q675-E679 VanDerWaalsContact NE2-OE1 3.08Å; Q675-E679 WeakPolarHBondContact O-CG 3.02Å; Q675-E679 PolarHBondContact O-N 2.8Å
676S94.4Very high86.1Confident83 Ų8356.1 Ų56.158%0.5828%0.283SS*.Hα-helixtrans-65.2-35.6-179.654.50000112.7F674 S680F674-S676 PolarHBondContact O-N 2.68Å; S676-S680 PolarHBondContact O-N 3.24Å
677I94.9Very high84.3Confident31 Ų3159.9 Ų59.916%0.15931%0.309CS..Hα-helixtrans-68-47.2176-73162.3000110.1V570 Y646 F674 Q675 E679 S680 L681V570-I677 HydrophobicContact CG2-CG2 4.33Å; Y646-I677 VanDerWaalsContact CB-CG2 3.41Å; Y646-I677 HydrophobicContact CD1-CD1 4.09Å; Y646-I677 HydrophobicContact CD1-CG2 3.83Å; Y646-I677 HydrophobicContact CD2-CG2 3.87Å; Y646-I677 HydrophobicContact CE1-CD1 3.77Å; Y646-I677 HydrophobicContact CE2-CD1 4.27Å; Y646-I677 HydrophobicContact CG-CD1 4.47Å; Y646-I677 HydrophobicContact CG-CG2 3.43Å; Y646-I677 VanDerWaalsContact CG-CG2 3.43Å; F674-I677 HydrophobicContact CD1-CD1 3.76Å; F674-I677 HydrophobicContact CE1-CD1 4.38Å; F674-I677 WeakPolarHBondContact O-CB 3.33Å; F674-I677 PolarHBondContact O-N 3.45Å; F674-I677 VanDerWaalsContact O-N 3.09Å; Q675-I677 VanDerWaalsContact C-N 3.32Å; Q675-I677 PolarHBondContact O-N 3.22Å; I677-E679 VanDerWaalsContact C-N 3.28Å; I677-E679 PolarHBondContact O-N 3.12Å; I677-S680 PolarHBondContact O-N 2.78Å; I677-S680 VanDerWaalsContact O-N 3.15Å; I677-S680 PolarHBondContact O-OG 2.89Å; I677-L681 HydrophobicContact CG2-CD1 4.34Å; I677-L681 HydrophobicContact CG2-CG 4.46Å; I677-L681 VanDerWaalsContact O-CG 3.29Å; I677-L681 WeakPolarHBondContact O-CG 3.16Å; I677-L681 PolarHBondContact O-N 3.22Å
678V92.3Very high82.5Confident3 Ų365.8 Ų65.82%0.01834%0.338CS..Hα-helixtrans-60-41.5177169.20000110.4V568 F674 Q675 L681 Y682V568-V678 HydrophobicContact CG2-CG1 3.89Å; V568-V678 HydrophobicContact CG2-CG2 4.49Å; F674-V678 HydrophobicContact CB-CG2 4.29Å; F674-V678 WeakPolarHBondContact O-CG2 3.46Å; F674-V678 PolarHBondContact O-N 3.32Å; Q675-V678 PolarHBondContact O-N 2.99Å; V678-L681 PolarHBondContact O-N 3.38Å; V678-Y682 HydrophobicContact CG1-CD2 4.12Å; V678-Y682 HydrophobicContact CG1-CE2 3.66Å; V678-Y682 WeakPolarHBondContact O-CD2 3.29Å; V678-Y682 PolarHBondContact O-N 3.48Å
679E89.6Confident80.5Confident78 Ų7863 Ų6336%0.36434%0.336SS..Hα-helixtrans-61.1-44173.6-75.3168.1-167.400112.5K561 Q675 I677 L681 Y682 L683K561-E679 IonicContact NZ-OE1 3.86Å; Q675-E679 WeakPolarHBondContact CG-OE1 3.28Å; Q675-E679 PolarHBondContact NE2-OE1 3.07Å; Q675-E679 VanDerWaalsContact NE2-OE1 3.08Å; Q675-E679 WeakPolarHBondContact O-CG 3.02Å; Q675-E679 PolarHBondContact O-N 2.8Å; I677-E679 VanDerWaalsContact C-N 3.28Å; I677-E679 PolarHBondContact O-N 3.12Å; E679-L681 PolarHBondContact O-N 2.7Å; E679-Y682 PolarHBondContact O-N 2.92Å; E679-L683 WeakPolarHBondContact O-CG 3.49Å; E679-L683 PolarHBondContact O-N 3.25Å
680S92.9Very high77.9Confident46 Ų4669.5 Ų69.532%0.32236%0.364SS..Hα-helixtrans-65.5-37.8177.671.90000112.4S676 I677 Y682 L683 E684S676-S680 PolarHBondContact O-N 3.24Å; I677-S680 PolarHBondContact O-N 2.78Å; I677-S680 VanDerWaalsContact O-N 3.15Å; I677-S680 PolarHBondContact O-OG 2.89Å; S680-Y682 VanDerWaalsContact C-N 3.28Å; S680-Y682 PolarHBondContact O-N 2.82Å; S680-L683 PolarHBondContact O-N 2.69Å; S680-L683 VanDerWaalsContact O-N 3.16Å; S680-E684 WeakPolarHBondContact O-CG 3.48Å; S680-E684 PolarHBondContact O-N 2.89Å
681L93.1Very high75.1Confident1 Ų175 Ų751%0.00540%0.402CS..Hα-helixtrans-60.5-37.1178-68.2177.7000112.3V568 S644 I645 I677 V678 E679 T685V568-L681 HydrophobicContact CB-CB 4.09Å; V568-L681 HydrophobicContact CB-CD1 3.93Å; V568-L681 HydrophobicContact CG1-CB 3.93Å; V568-L681 HydrophobicContact CG2-CB 4.37Å; V568-L681 HydrophobicContact CG2-CD1 4.15Å; S644-L681 WeakPolarHBondContact OG-CD2 3.44Å; I645-L681 VanDerWaalsContact C-CD2 3.41Å; I645-L681 VanDerWaalsContact O-CD2 3.31Å; I645-L681 WeakPolarHBondContact O-CD2 3.32Å; I677-L681 HydrophobicContact CG2-CD1 4.34Å; I677-L681 HydrophobicContact CG2-CG 4.46Å; I677-L681 VanDerWaalsContact O-CG 3.29Å; I677-L681 WeakPolarHBondContact O-CG 3.16Å; I677-L681 PolarHBondContact O-N 3.22Å; V678-L681 PolarHBondContact O-N 3.38Å; E679-L681 PolarHBondContact O-N 2.7Å; L681-T685 PolarHBondContact O-N 3.42Å; L681-T685 PolarHBondContact O-OG1 3.36Å
682Y87.7Confident72.2Confident7 Ų777.7 Ų77.73%0.02742%0.42CS..Hα-helixtrans-71.4-39174.5-73.2-61.5000112.8D559 G560 K561 Q564 F566 V568 V678 E679 S680 T685 C686D559-Y682 PolarHBondContact O-OH 3.4Å; G560-Y682 VanDerWaalsContact CA-OH 3.26Å; G560-Y682 WeakPolarHBondContact CA-OH 3.3Å; K561-Y682 HydrophobicContact CD-CD2 4.25Å; K561-Y682 HydrophobicContact CD-CE2 3.99Å; K561-Y682 HydrophobicContact CG-CE2 4Å; Q564-Y682 HydrophobicContact CB-CD1 3.85Å; Q564-Y682 HydrophobicContact CB-CE1 3.43Å; Q564-Y682 VanDerWaalsContact CB-CE1 3.43Å; Q564-Y682 HydrophobicContact CG-CD1 3.38Å; Q564-Y682 HydrophobicContact CG-CD2 4.1Å; Q564-Y682 HydrophobicContact CG-CE1 3.4Å; Q564-Y682 HydrophobicContact CG-CE2 4.12Å; Q564-Y682 HydrophobicContact CG-CG 3.77Å; Q564-Y682 VanDerWaalsContact OE1-CD1 3.25Å; F566-Y682 HydrophobicContact CD2-CD1 4.37Å; F566-Y682 AromaticContact CD2-CE1 3.96Å; F566-Y682 HydrophobicContact CD2-CE1 3.96Å; F566-Y682 AromaticContact CE2-CD1 3.55Å; F566-Y682 HydrophobicContact CE2-CD1 3.55Å; F566-Y682 AromaticContact CE2-CE1 3.6Å; F566-Y682 HydrophobicContact CE2-CE1 3.6Å; F566-Y682 AromaticContact CZ-CD1 3.95Å; F566-Y682 HydrophobicContact CZ-CD1 3.95Å; F566-Y682 HydrophobicContact CZ-CE1 4.32Å; F566-Y682 WeakPolarHBondContact O-CE1 3.45Å; F566-Y682 PolarHBondContact O-OH 3Å; V568-Y682 HydrophobicContact CG1-CD1 3.91Å; V568-Y682 HydrophobicContact CG1-CE1 3.57Å; V568-Y682 HydrophobicContact CG1-CE2 4.28Å; V568-Y682 HydrophobicContact CG1-CG 4.39Å; V568-Y682 HydrophobicContact CG2-CD2 4.48Å; V568-Y682 HydrophobicContact CG2-CE1 4.42Å; V568-Y682 HydrophobicContact CG2-CE2 3.77Å; V678-Y682 HydrophobicContact CG1-CD2 4.12Å; V678-Y682 HydrophobicContact CG1-CE2 3.66Å; V678-Y682 WeakPolarHBondContact O-CD2 3.29Å; V678-Y682 PolarHBondContact O-N 3.48Å; E679-Y682 PolarHBondContact O-N 2.92Å; S680-Y682 VanDerWaalsContact C-N 3.28Å; S680-Y682 PolarHBondContact O-N 2.82Å; Y682-T685 WeakPolarHBondContact CA-OG1 3.28Å; Y682-T685 PolarHBondContact O-N 3.03Å; Y682-T685 PolarHBondContact O-OG1 3.45Å; Y682-C686 PolarHBondContact O-N 3.44Å; Y682-C686 VanDerWaalsContact O-N 3.14Å; Y682-C686 PolarHBondContact O-SG 3.03Å; Y682-C686 VanDerWaalsContact O-SG 3.37Å
683L86.3Confident69.2Low124 Ų12474.7 Ų74.765%0.64942%0.422SS*.Hα-helixtrans-65.4-38.9177.8-69.5172.1000112.4E679 S680 T685 C686 S687E679-L683 WeakPolarHBondContact O-CG 3.49Å; E679-L683 PolarHBondContact O-N 3.25Å; S680-L683 PolarHBondContact O-N 2.69Å; S680-L683 VanDerWaalsContact O-N 3.16Å; L683-T685 VanDerWaalsContact C-N 3.3Å; L683-T685 PolarHBondContact O-N 3.09Å; L683-C686 PolarHBondContact O-N 2.71Å; L683-S687 PolarHBondContact O-N 3.3Å; L683-S687 VanDerWaalsContact O-N 3.17Å; L683-S687 PolarHBondContact O-OG 2.91Å
684E81.7Confident65.9Low63 Ų6376.7 Ų76.729%0.29444%0.437SS..Hα-helixtrans-60.1-39175.7-72.9176-168.200112.3R620 S680 S687 E688R620-E684 IonicContact CZ-OE1 2.7Å; R620-E684 IonicContact CZ-OE2 3.86Å; R620-E684 IonicContact NH1-OE1 2.84Å; R620-E684 PolarHBondContact NH1-OE1 3.49Å; R620-E684 IonicContact NH1-OE2 3.05Å; R620-E684 PolarHBondContact NH1-OE2 3.26Å; R620-E684 IonicContact NH2-OE1 3.94Å; R620-E684 IonicContact NH2-OE2 3.69Å; R620-E684 PolarHBondContact NH2-OE2 3.35Å; S680-E684 WeakPolarHBondContact O-CG 3.48Å; S680-E684 PolarHBondContact O-N 2.89Å; E684-S687 PolarHBondContact O-N 2.86Å; E684-S687 PolarHBondContact O-OG 3.03Å; E684-E688 PolarHBondContact O-N 3.35Å
685T66.4Low62.6Low30 Ų3083.6 Ų83.618%0.18447%0.474CS..Hα-helixtrans-74.5-28.3177.4400000113.1F566 K643 L681 Y682 L683 S687F566-T685 HydrophobicContact CE2-CG2 4.17Å; F566-T685 HydrophobicContact CZ-CG2 4.03Å; F566-T685 WeakPolarHBondContact CZ-OG1 3.46Å; K643-T685 HydrophobicContact CB-CG2 4.38Å; L681-T685 PolarHBondContact O-N 3.42Å; L681-T685 PolarHBondContact O-OG1 3.36Å; Y682-T685 WeakPolarHBondContact CA-OG1 3.28Å; Y682-T685 PolarHBondContact O-N 3.03Å; Y682-T685 PolarHBondContact O-OG1 3.45Å; L683-T685 VanDerWaalsContact C-N 3.3Å; L683-T685 PolarHBondContact O-N 3.09Å; T685-S687 VanDerWaalsContact C-N 3.35Å
686C54Low59.2Low71 Ų7184.1 Ų84.148%0.4849%0.488SS..Hα-helixtrans-71.3-28.7173.5-700000112.7Y682 L683 G689Y682-C686 PolarHBondContact O-N 3.44Å; Y682-C686 VanDerWaalsContact O-N 3.14Å; Y682-C686 PolarHBondContact O-SG 3.03Å; Y682-C686 VanDerWaalsContact O-SG 3.37Å; L683-C686 PolarHBondContact O-N 2.71Å; C686-G689 VanDerWaalsContact O-O 3.07Å
687S45.1Very low56Low99 Ų9991.7 Ų91.769%0.69252%0.522SS*.Hα-helixtrans-81.4-27.617955.10000113.4L683 E684 T685 G689L683-S687 PolarHBondContact O-N 3.3Å; L683-S687 VanDerWaalsContact O-N 3.17Å; L683-S687 PolarHBondContact O-OG 2.91Å; E684-S687 PolarHBondContact O-N 2.86Å; E684-S687 PolarHBondContact O-OG 3.03Å; T685-S687 VanDerWaalsContact C-N 3.35Å; S687-G689 VanDerWaalsContact C-N 3.33Å
688E49Very low54Low145 Ų14594.7 Ų94.768%0.67854%0.54SS*.Hα-helixtrans-77.6-12.8173.6-74.5-171.9165.700113.5R621 E684R621-E688 IonicContact CZ-OE1 3.6Å; R621-E688 IonicContact NH2-OE1 3.72Å; R621-E688 PolarHBondContact NH2-OE1 3.38Å; E684-E688 PolarHBondContact O-N 3.35Å
689G33.7Very low52Low41 Ų4199.5 Ų99.542%0.42357%0.567SS.*SBendtrans-148.1110.5179.200000112.9C686 S687 C691C686-G689 VanDerWaalsContact O-O 3.07Å; S687-G689 VanDerWaalsContact C-N 3.33Å; G689-C691 PolarHBondContact O-N 3.06Å
690Q28.4Very low49.9Very low192 Ų192100.7 Ų100.790%0.89758%0.579SS**  trans-36130.5176-75.5171-31.800113.5I692Q690-I692 PolarHBondContact O-N 2.91Å
691C30.9Very low47.4Very low118 Ų118103.9 Ų103.980%0.79759%0.594SS**  trans-19.6113.1169.2-58.90000113.6G689 S693G689-C691 PolarHBondContact O-N 3.06Å; C691-S693 PolarHBondContact O-N 3.05Å
692I27.8Very low44.5Very low132 Ų132110.4 Ų110.468%0.67763%0.631SS**  trans-64.990.7157.5-58.9172.1000105.1Q690 N694Q690-I692 PolarHBondContact O-N 2.91Å; I692-N694 PolarHBondContact O-N 3.28Å; I692-N694 VanDerWaalsContact O-N 3.09Å
693S24.2Very low41.6Very low89 Ų89117.3 Ų117.362%0.62267%0.671SS**  trans-67.2106.3168.4580000106.8C691 N695C691-S693 PolarHBondContact O-N 3.05Å; S693-N695 PolarHBondContact O-N 3.31Å
694N24.6Very low38.5Very low149 Ų149116.8 Ų116.880%0.79767%0.672SS**  trans-48.5101.2161.6-73.9-30000109.1I692I692-N694 PolarHBondContact O-N 3.28Å; I692-N694 VanDerWaalsContact O-N 3.09Å
695N25.3Very low35.1Very low146 Ų146120.9 Ų120.978%0.78170%0.701SS**  trans-122.2107.2161.4-93.7-23000107.4S693 N697S693-N695 PolarHBondContact O-N 3.31Å; N695-N697 PolarHBondContact O-N 2.91Å
696C21.8Very low32.5Very low118 Ų118128.5 Ų128.580%0.79775%0.745SS**  trans-38.2124.2172.9-55.10000113.3
697N25.6Very low30.6Very low242 Ų242133.7 Ų133.7100%1.29477%0.769SS**  -1690128-92.9-23.4000110.4N695N695-N697 PolarHBondContact O-N 2.91Å

Retrieved 697 of 697 residues in 1704.9 ms (Link to these results)

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