A0A096MMQ7_PAPAN Loading...

Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes.

AlphaFold DB (A6NNY8), UniProt , Accession A0A096MMQ7, Species PAPAN (Papio anubis, Olive baboon), Gene USP27X, Length 438 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
1M32.4Very low51.6Low241 Ų241134.5 Ų134.5100%1.18766%0.658SS**  095.90-76-175.8-107.500107.3K3M1-K3 PolarHBondContact O-N 2.98Å
2C37.7Very low53.6Low117 Ų117126.8 Ų126.879%0.79162%0.62SS**PPolyproline II helixtrans-74.9118.9-179.2-1600000106.9D4C2-D4 PolarHBondContact O-N 2.85Å
3K36.5Very low55.4Low191 Ų191125.4 Ų125.483%0.8361%0.611SS**PPolyproline II helixtrans-70.2118.3176.8-68.4-178.4176.7-178.40107.3M1M1-K3 PolarHBondContact O-N 2.98Å
4D40.1Very low57Low142 Ų142121.2 Ų121.276%0.75959%0.592SS**PPolyproline II helixtrans-50136.7174.4-60.7-48.5000109.7C2 V6C2-D4 PolarHBondContact O-N 2.85Å; D4-V6 VanDerWaalsContact C-N 3.35Å; D4-V6 PolarHBondContact O-N 3.03Å
5Y47.6Very low58.1Low208 Ų208113.6 Ų113.682%0.81656%0.556SS**  trans-63.1100.7176.2-83.9-91.4000108.1
6V43Very low59.4Low126 Ų126114.9 Ų114.976%0.76456%0.558SS**  trans-60.6133.8176.1-178.30000107.9D4 D8D4-V6 VanDerWaalsContact C-N 3.35Å; D4-V6 PolarHBondContact O-N 3.03Å; V6-D8 PolarHBondContact O-N 3Å
7Y46.1Very low60.6Low125 Ų125114.6 Ų114.649%0.4956%0.555SS.*  trans-29.3120.2162.4166.9-92.2000112K9 E12Y7-K9 HydrophobicContact CD1-CG 4.33Å; Y7-K9 HydrophobicContact CE1-CG 3.81Å; Y7-E12 HydrophobicContact CE2-CG 4.4Å; Y7-E12 VanDerWaalsContact CE2-OE1 3.3Å; Y7-E12 WeakPolarHBondContact CE2-OE1 3.29Å; Y7-E12 VanDerWaalsContact CZ-OE1 3.27Å; Y7-E12 PolarHBondContact OH-OE1 3.35Å; Y7-E12 PolarHBondContact OH-OE2 2.9Å
8D64.1Low61.6Low54 Ų54112.9 Ų112.929%0.28955%0.546SS..  trans-96108.8-175.4-169.6-7.9000109.8V6 D10 I11V6-D8 PolarHBondContact O-N 3Å; D8-D10 PolarHBondContact O-N 3.46Å; D8-D10 VanDerWaalsContact OD1-CB 3.24Å; D8-D10 WeakPolarHBondContact OD1-CB 3.44Å; D8-D10 PolarHBondContact OD1-N 3.2Å; D8-I11 HydrophobicContact CB-CB 4.5Å; D8-I11 HydrophobicContact CB-CD1 4.01Å; D8-I11 HydrophobicContact CB-CG1 4.03Å; D8-I11 PolarHBondContact O-N 2.94Å
9K73.8Confident62.3Low156 Ų156110.2 Ų110.268%0.67853%0.533SS*.Hα-helixtrans-60.5-25.2176.7-74.8-177.3177.7-179.90112Y7 I11 E12 Q13Y7-K9 HydrophobicContact CD1-CG 4.33Å; Y7-K9 HydrophobicContact CE1-CG 3.81Å; K9-I11 VanDerWaalsContact C-N 3.32Å; K9-E12 PolarHBondContact O-N 2.63Å; K9-Q13 PolarHBondContact O-N 2.73Å; K9-Q13 VanDerWaalsContact O-N 3.08Å
10D74Confident62.9Low99 Ų99106.2 Ų106.253%0.52952%0.522SS..Hα-helixtrans-69.5-35.6-178.3-60.1-11.7000110.1D8 E12 Q13 I14D8-D10 PolarHBondContact O-N 3.46Å; D8-D10 VanDerWaalsContact OD1-CB 3.24Å; D8-D10 WeakPolarHBondContact OD1-CB 3.44Å; D8-D10 PolarHBondContact OD1-N 3.2Å; D10-E12 VanDerWaalsContact C-N 3.35Å; D10-E12 PolarHBondContact O-N 3.47Å; D10-Q13 PolarHBondContact O-N 3.1Å; D10-I14 VanDerWaalsContact O-CG1 3.3Å; D10-I14 WeakPolarHBondContact O-CG1 3.48Å; D10-I14 PolarHBondContact O-N 3.41Å
11I72.8Confident63.5Low20 Ų20105.8 Ų105.810%0.10352%0.519CS..Hα-helixtrans-62.7-41.3174.8-67179.2000111.1D8 K9 Q13 A15 Y144 W151D8-I11 HydrophobicContact CB-CB 4.5Å; D8-I11 HydrophobicContact CB-CD1 4.01Å; D8-I11 HydrophobicContact CB-CG1 4.03Å; D8-I11 PolarHBondContact O-N 2.94Å; K9-I11 VanDerWaalsContact C-N 3.32Å; I11-Q13 VanDerWaalsContact C-N 3.34Å; I11-A15 VanDerWaalsContact O-CB 3.23Å; I11-A15 WeakPolarHBondContact O-CB 3.49Å; I11-A15 PolarHBondContact O-N 3.03Å; I11-Y144 HydrophobicContact CG2-CD2 4.5Å; I11-W151 HydrophobicContact CD1-CZ3 4.34Å
12E75.6Confident65.2Low43 Ų4394.7 Ų94.720%0.20147%0.465CS..Hα-helixtrans-68.3-33.1176.2-87.9-161.5-167.800113.3Y7 K9 D10 A15 K16 Y144Y7-E12 HydrophobicContact CE2-CG 4.4Å; Y7-E12 VanDerWaalsContact CE2-OE1 3.3Å; Y7-E12 WeakPolarHBondContact CE2-OE1 3.29Å; Y7-E12 VanDerWaalsContact CZ-OE1 3.27Å; Y7-E12 PolarHBondContact OH-OE1 3.35Å; Y7-E12 PolarHBondContact OH-OE2 2.9Å; K9-E12 PolarHBondContact O-N 2.63Å; D10-E12 VanDerWaalsContact C-N 3.35Å; D10-E12 PolarHBondContact O-N 3.47Å; E12-A15 WeakPolarHBondContact O-CB 3.22Å; E12-K16 WeakPolarHBondContact O-CG 3.37Å; E12-K16 PolarHBondContact O-N 2.93Å; E12-K16 VanDerWaalsContact O-N 3.13Å; E12-K16 IonicContact OE2-NZ 3.51Å; E12-Y144 HydrophobicContact CG-CE2 4.31Å
13Q76.7Confident66.9Low108 Ų10892.8 Ų92.851%0.50545%0.446SS..Hα-helixtrans-67.9-49176.2-177.9174-16.800110.6K9 D10 I11 A15 K16 E17K9-Q13 PolarHBondContact O-N 2.73Å; K9-Q13 VanDerWaalsContact O-N 3.08Å; D10-Q13 PolarHBondContact O-N 3.1Å; I11-Q13 VanDerWaalsContact C-N 3.34Å; Q13-A15 VanDerWaalsContact C-N 3.27Å; Q13-A15 PolarHBondContact O-N 3Å; Q13-K16 PolarHBondContact O-N 3.47Å; Q13-K16 VanDerWaalsContact O-N 3.08Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.32Å; Q13-E17 PolarHBondContact NE2-OE1 3.09Å; Q13-E17 WeakPolarHBondContact O-CG 3.44Å; Q13-E17 PolarHBondContact O-N 3.49Å
14I76.9Confident68.6Low67 Ų6789.9 Ų89.934%0.34443%0.434SS..Hα-helixtrans-56.5-45175.4-66.4165000110D10 K16 E17 E18D10-I14 VanDerWaalsContact O-CG1 3.3Å; D10-I14 WeakPolarHBondContact O-CG1 3.48Å; D10-I14 PolarHBondContact O-N 3.41Å; I14-K16 VanDerWaalsContact C-N 3.32Å; I14-K16 PolarHBondContact O-N 3.47Å; I14-E17 PolarHBondContact O-N 2.94Å; I14-E18 HydrophobicContact CG2-CG 4.14Å; I14-E18 WeakPolarHBondContact O-CB 3.34Å; I14-E18 WeakPolarHBondContact O-CG 3.44Å; I14-E18 PolarHBondContact O-N 3.43Å
15A74.8Confident69.8Low7 Ų788 Ų886%0.05842%0.423CS..Hα-helixtrans-54.7-43.1175.800000113.5I11 E12 Q13 Q19 L83 V142I11-A15 VanDerWaalsContact O-CB 3.23Å; I11-A15 WeakPolarHBondContact O-CB 3.49Å; I11-A15 PolarHBondContact O-N 3.03Å; E12-A15 WeakPolarHBondContact O-CB 3.22Å; Q13-A15 VanDerWaalsContact C-N 3.27Å; Q13-A15 PolarHBondContact O-N 3Å; A15-Q19 VanDerWaalsContact O-CB 3.3Å; A15-Q19 WeakPolarHBondContact O-CB 3.41Å; A15-Q19 PolarHBondContact O-N 3.49Å; A15-Q19 VanDerWaalsContact O-N 3.11Å; A15-L83 HydrophobicContact CB-CD2 4.09Å; A15-V142 HydrophobicContact CB-CB 4.38Å; A15-V142 HydrophobicContact CB-CG1 3.35Å
16K78Confident70.2Confident135 Ų13580.2 Ų80.259%0.58739%0.394SS*.Hα-helixtrans-71.4-41.3179.4-74.9168.2-175.7157.90112.3E12 Q13 I14 G20E12-K16 WeakPolarHBondContact O-CG 3.37Å; E12-K16 PolarHBondContact O-N 2.93Å; E12-K16 VanDerWaalsContact O-N 3.13Å; E12-K16 IonicContact OE2-NZ 3.51Å; Q13-K16 PolarHBondContact O-N 3.47Å; Q13-K16 VanDerWaalsContact O-N 3.08Å; I14-K16 VanDerWaalsContact C-N 3.32Å; I14-K16 PolarHBondContact O-N 3.47Å; K16-G20 PolarHBondContact O-N 3.17Å; K16-G20 VanDerWaalsContact O-N 3.17Å
17E80Confident71Confident109 Ų10977.9 Ų77.951%0.50939%0.388SS..Hα-helixtrans-63.4-49.8178.4-70.7174.2-170.100110.7Q13 I14 Q19 G20 E21Q13-E17 WeakPolarHBondContact CG-OE1 3.32Å; Q13-E17 PolarHBondContact NE2-OE1 3.09Å; Q13-E17 WeakPolarHBondContact O-CG 3.44Å; Q13-E17 PolarHBondContact O-N 3.49Å; I14-E17 PolarHBondContact O-N 2.94Å; E17-Q19 VanDerWaalsContact C-N 3.34Å; E17-Q19 PolarHBondContact O-N 3.3Å; E17-G20 PolarHBondContact O-N 3.41Å; E17-G20 VanDerWaalsContact O-N 3.1Å; E17-E21 PolarHBondContact O-N 3.23Å; E17-E21 VanDerWaalsContact O-N 3.15Å
18E78Confident71.3Confident85 Ų8576.5 Ų76.540%0.39740%0.397SS..Hα-helixtrans-65.5-34.5179.3-69.5-62.7147.500112.9I14 G20 E21 A22 I81I14-E18 HydrophobicContact CG2-CG 4.14Å; I14-E18 WeakPolarHBondContact O-CB 3.34Å; I14-E18 WeakPolarHBondContact O-CG 3.44Å; I14-E18 PolarHBondContact O-N 3.43Å; E18-G20 VanDerWaalsContact C-N 3.32Å; E18-G20 PolarHBondContact O-N 2.93Å; E18-E21 PolarHBondContact O-N 3.12Å; E18-A22 WeakPolarHBondContact O-CB 3.49Å; E18-A22 PolarHBondContact O-N 3.4Å; E18-I81 HydrophobicContact CB-CG2 3.35Å; E18-I81 HydrophobicContact CG-CG2 4.28Å
19Q74.7Confident70.4Confident61 Ų6178.9 Ų78.929%0.28541%0.413SS..Hα-helixtrans-63.7-38.7172.8-170.8176.728.500112A15 E17 L23 V142A15-Q19 VanDerWaalsContact O-CB 3.3Å; A15-Q19 WeakPolarHBondContact O-CB 3.41Å; A15-Q19 PolarHBondContact O-N 3.49Å; A15-Q19 VanDerWaalsContact O-N 3.11Å; E17-Q19 VanDerWaalsContact C-N 3.34Å; E17-Q19 PolarHBondContact O-N 3.3Å; Q19-L23 WeakPolarHBondContact O-CG 3.47Å; Q19-L23 PolarHBondContact O-N 3Å; Q19-L23 VanDerWaalsContact O-N 3.14Å; Q19-V142 HydrophobicContact CB-CG2 4.06Å; Q19-V142 HydrophobicContact CG-CG2 4.26Å
20G75.4Confident68.6Low30 Ų3075.7 Ų75.731%0.30941%0.411SS..Hα-helixtrans-62.7-43.9175.800000112.6K16 E17 E18 K24K16-G20 PolarHBondContact O-N 3.17Å; K16-G20 VanDerWaalsContact O-N 3.17Å; E17-G20 PolarHBondContact O-N 3.41Å; E17-G20 VanDerWaalsContact O-N 3.1Å; E18-G20 VanDerWaalsContact C-N 3.32Å; E18-G20 PolarHBondContact O-N 2.93Å; G20-K24 WeakPolarHBondContact O-CG 3.44Å; G20-K24 PolarHBondContact O-N 2.93Å
21E74.7Confident66.6Low98 Ų9877.2 Ų77.246%0.45842%0.424SS..Hα-helixtrans-68.1-40.8177.3-66.8-52.8129.500112.5E17 E18 L23 K24 L25E17-E21 PolarHBondContact O-N 3.23Å; E17-E21 VanDerWaalsContact O-N 3.15Å; E18-E21 PolarHBondContact O-N 3.12Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.88Å; E21-K24 WeakPolarHBondContact O-CB 3.41Å; E21-K24 PolarHBondContact O-N 3.5Å; E21-K24 VanDerWaalsContact O-N 3.12Å; E21-K24 IonicContact OE1-NZ 3.03Å; E21-K24 PolarHBondContact OE1-NZ 2.94Å; E21-K24 IonicContact OE2-NZ 2.75Å; E21-L25 PolarHBondContact O-N 2.85Å; E21-L25 VanDerWaalsContact O-N 3.11Å
22A69.6Low64.4Low7 Ų785 Ų856%0.05846%0.46CS..Hα-helixtrans-64.5-36.2178.300000113.6E18 K24 L25 Q26 I81 P140 A398E18-A22 WeakPolarHBondContact O-CB 3.49Å; E18-A22 PolarHBondContact O-N 3.4Å; A22-K24 VanDerWaalsContact C-N 3.3Å; A22-K24 PolarHBondContact O-N 2.82Å; A22-L25 PolarHBondContact O-N 3.35Å; A22-Q26 PolarHBondContact O-N 3.04Å; A22-I81 HydrophobicContact CB-CD1 3.22Å; A22-P140 HydrophobicContact CB-CB 4.41Å; A22-P140 HydrophobicContact CB-CG 3.98Å; A22-A398 HydrophobicContact CB-CB 3.66Å
23L73.5Confident62.3Low77 Ų7789.1 Ų89.140%0.40349%0.488SS..Hα-helixtrans-63.8-36.1173.6-73.8170000111.8Q19 E21 Q26 A27Q19-L23 WeakPolarHBondContact O-CG 3.47Å; Q19-L23 PolarHBondContact O-N 3Å; Q19-L23 VanDerWaalsContact O-N 3.14Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.88Å; L23-Q26 PolarHBondContact O-N 3.01Å; L23-A27 WeakPolarHBondContact O-CB 3.12Å; L23-A27 PolarHBondContact O-N 3.49Å
24K71.4Confident60Low130 Ų13089.6 Ų89.657%0.56550%0.503SS*.Hα-helixtrans-65-41.2174.7-65.1171-172.4170.70111.4G20 E21 A22 A27 S28G20-K24 WeakPolarHBondContact O-CG 3.44Å; G20-K24 PolarHBondContact O-N 2.93Å; E21-K24 WeakPolarHBondContact O-CB 3.41Å; E21-K24 PolarHBondContact O-N 3.5Å; E21-K24 VanDerWaalsContact O-N 3.12Å; E21-K24 IonicContact OE1-NZ 3.03Å; E21-K24 PolarHBondContact OE1-NZ 2.94Å; E21-K24 IonicContact OE2-NZ 2.75Å; A22-K24 VanDerWaalsContact C-N 3.3Å; A22-K24 PolarHBondContact O-N 2.82Å; K24-A27 PolarHBondContact O-N 3.01Å; K24-S28 PolarHBondContact O-N 2.84Å
25L66Low57.7Low104 Ų10494.3 Ų94.355%0.54552%0.523SS..Hα-helixtrans-64.3-40.5176.3-67.8172.6000111.9E21 A22 S28E21-L25 PolarHBondContact O-N 2.85Å; E21-L25 VanDerWaalsContact O-N 3.11Å; A22-L25 PolarHBondContact O-N 3.35Å; L25-S28 PolarHBondContact O-N 2.9Å; L25-S28 PolarHBondContact O-OG 2.89Å
26Q55.5Low55.4Low43 Ų43102.5 Ų102.520%0.20156%0.56CS.*Hα-helixtrans-72.1-36.3177.2-74.1-171.5-15.300113.5A22 L23 S28 T29 S30 A398A22-Q26 PolarHBondContact O-N 3.04Å; L23-Q26 PolarHBondContact O-N 3.01Å; Q26-S28 PolarHBondContact O-N 3.09Å; Q26-T29 PolarHBondContact O-N 2.82Å; Q26-T29 PolarHBondContact O-OG1 2.99Å; Q26-T29 VanDerWaalsContact O-OG1 3.07Å; Q26-S30 PolarHBondContact O-N 3.31Å; Q26-S30 VanDerWaalsContact O-N 3.17Å; Q26-A398 PolarHBondContact NE2-O 3.19Å
27A59.5Low52.9Low77 Ų77105.2 Ų105.264%0.63658%0.575SS**Hα-helixtrans-60.8-26.5176.600000112.6L23 K24 T29L23-A27 WeakPolarHBondContact O-CB 3.12Å; L23-A27 PolarHBondContact O-N 3.49Å; K24-A27 PolarHBondContact O-N 3.01Å; A27-T29 PolarHBondContact O-N 2.83Å
28S53Low50.2Low96 Ų96105.8 Ų105.867%0.67159%0.59SS**THydrogen-bonded Turntrans-72.8-13173.874.70000114.3K24 L25 Q26K24-S28 PolarHBondContact O-N 2.84Å; L25-S28 PolarHBondContact O-N 2.9Å; L25-S28 PolarHBondContact O-OG 2.89Å; Q26-S28 PolarHBondContact O-N 3.09Å
29T44.2Very low47.7Very low104 Ų104107.5 Ų107.564%0.63861%0.611SS**THydrogen-bonded Turntrans-124-4.3-172.7510000115.2Q26 A27Q26-T29 PolarHBondContact O-N 2.82Å; Q26-T29 PolarHBondContact O-OG1 2.99Å; Q26-T29 VanDerWaalsContact O-OG1 3.07Å; A27-T29 PolarHBondContact O-N 2.83Å
30S35.6Very low45.7Very low89 Ų89109.7 Ų109.762%0.62263%0.628SS**  trans-137.5130.5-173.5-65.10000114.3Q26Q26-S30 PolarHBondContact O-N 3.31Å; Q26-S30 VanDerWaalsContact O-N 3.17Å
31T32.7Very low43.6Very low131 Ų131113.9 Ų113.980%0.80465%0.65SS**  trans-86.2121.8174.6-21.50000110.8
32E27.4Very low41.5Very low184 Ų184112.7 Ų112.786%0.8666%0.664SS**  trans35.5101.4155.5-61.8-177.5174.700119.3
33V30Very low39.6Very low130 Ų130118.9 Ų118.979%0.78870%0.695SS**  trans-136.3127.6151.5-1720000109.8
34S28.8Very low37.7Very low117 Ų117118.8 Ų118.882%0.81871%0.713SS**  trans-73.8139.8-173.648.10000113.8
35H28.9Very low35.9Very low166 Ų166120.1 Ų120.177%0.76972%0.721SS**  trans-80.6130.3-177.5-75.5-86.1000112.6
36Q27.6Very low34.1Very low179 Ų179125.1 Ų125.184%0.83674%0.738SS**  trans-131.5117157.1-120.6172.311.300109.2C38Q36-C38 PolarHBondContact O-N 3.36Å
37Q23.9Very low33.7Very low193 Ų193131.3 Ų131.390%0.90277%0.765SS**PPolyproline II helixtrans-69.3122.4178.7-76.6166.4-1900109.8
38C24.9Very low32.5Very low121 Ų121133 Ų13382%0.81877%0.769SS**PPolyproline II helixtrans-102.1121.3166.1-75.70000108.7Q36Q36-C38 PolarHBondContact O-N 3.36Å
39S25.5Very low31.7Very low120 Ų120135 Ų13584%0.83978%0.777SS**PPolyproline II helixtrans-77.5129.9174.1-370000109.6
40V32.6Very low32.3Very low108 Ų108137.3 Ų137.366%0.65578%0.775SS**PPolyproline II helixtrans-99.6123.4-179.5-178.20000109.7
41P29.8Very low33.1Very low118 Ų118141.1 Ų141.177%0.76678%0.783SS**PPolyproline II helixtrans-77.2153.4171.2-13.529.7000113
42G31.2Very low34.3Very low72 Ų72138 Ų13874%0.74276%0.764SS**PPolyproline II helixtrans-69.8163.6-168.300000117.2G44G42-G44 PolarHBondContact O-N 3.23Å
43L29.1Very low36.5Very low137 Ų137132.7 Ų132.772%0.71774%0.744SS**THydrogen-bonded Turntrans-66.2117.5-176.5-162.476.5000111.5
44G33.7Very low38.8Very low75 Ų75134.8 Ų134.877%0.77374%0.742SS**THydrogen-bonded Turntrans142-1.6164.200000119.1G42G42-G44 PolarHBondContact O-N 3.23Å
45E33.4Very low41.2Very low159 Ų159132.9 Ų132.974%0.74373%0.727SS**  trans-82.9134.5178-69.5-170.6163.200112.8F47E45-F47 HydrophobicContact CB-CE2 4.37Å; E45-F47 WeakPolarHBondContact O-CD2 3.19Å; E45-F47 PolarHBondContact O-N 2.96Å
46K29.2Very low43.4Very low209 Ų209128 Ų12891%0.90971%0.705SS**  trans-75.2106.2-179.3-64.8178-179.91780109.5P48K46-P48 WeakPolarHBondContact O-CD 3.18Å
47F46.3Very low45.6Very low173 Ų173124.4 Ų124.476%0.75969%0.691SS**PPolyproline II helixtrans-87.3120.7171.2-74-85.2000110.8E45E45-F47 HydrophobicContact CB-CE2 4.37Å; E45-F47 WeakPolarHBondContact O-CD2 3.19Å; E45-F47 PolarHBondContact O-N 2.96Å
48P35Very low48.2Very low111 Ų111121.6 Ų121.672%0.72168%0.678SS**PPolyproline II helixtrans-70.2153.5167.128.8-31.2000110.5K46 W50K46-P48 WeakPolarHBondContact O-CD 3.18Å; P48-W50 PolarHBondContact O-N 3.11Å; P48-W50 VanDerWaalsContact O-N 3.15Å
49T36.9Very low50.5Low138 Ų138120.7 Ų120.785%0.84766%0.664SS**PPolyproline II helixtrans-52.9120.6171.3-47.20000108.9E51T49-E51 PolarHBondContact O-N 3.46Å
50W55.6Low52.6Low154 Ų154119.4 Ų119.458%0.58365%0.647SS**PPolyproline II helixtrans-73.7120.7-173.717979.2000111P48 T52 E56 L60P48-W50 PolarHBondContact O-N 3.11Å; P48-W50 VanDerWaalsContact O-N 3.15Å; W50-T52 HydrophobicContact CE3-CG2 4.22Å; W50-T52 HydrophobicContact CH2-CG2 2.99Å; W50-T52 HydrophobicContact CZ2-CG2 3.4Å; W50-T52 HydrophobicContact CZ3-CG2 3.43Å; W50-T52 VanDerWaalsContact CZ3-CG2 3.43Å; W50-E56 PolarHBondContact NE1-OE1 2.65Å; W50-L60 HydrophobicContact CH2-CD1 3.73Å; W50-L60 HydrophobicContact CZ2-CD1 3.95Å
51E52Low54.5Low168 Ų168116.9 Ų116.979%0.78564%0.644SS**  trans-111.2125.4168-69.5-174.9172.100108.2T49 T53T49-E51 PolarHBondContact O-N 3.46Å; E51-T53 PolarHBondContact O-N 3.15Å; E51-T53 VanDerWaalsContact O-N 3.16Å
52T58.3Low56.5Low67 Ų67118.8 Ų118.841%0.41164%0.642SS.*  trans-61.7117.5-178.343.90000111.5W50 L60W50-T52 HydrophobicContact CE3-CG2 4.22Å; W50-T52 HydrophobicContact CH2-CG2 2.99Å; W50-T52 HydrophobicContact CZ2-CG2 3.4Å; W50-T52 HydrophobicContact CZ3-CG2 3.43Å; W50-T52 VanDerWaalsContact CZ3-CG2 3.43Å; T52-L60 HydrophobicContact CG2-CD1 4.22Å
53T74.5Confident58Low72 Ų72120 Ų12044%0.44263%0.631SS.*  trans-77.2157.2165.762.70000110.9E51 E56 L57E51-T53 PolarHBondContact O-N 3.15Å; E51-T53 VanDerWaalsContact O-N 3.16Å; T53-E56 WeakPolarHBondContact CB-OE2 3.24Å; T53-E56 PolarHBondContact N-OE2 2.93Å; T53-E56 WeakPolarHBondContact O-CB 3.34Å; T53-E56 PolarHBondContact O-N 2.64Å; T53-E56 VanDerWaalsContact O-N 3.13Å; T53-E56 VanDerWaalsContact OG1-CD 3.27Å; T53-E56 VanDerWaalsContact OG1-CG 3.24Å; T53-E56 WeakPolarHBondContact OG1-CG 3.43Å; T53-E56 PolarHBondContact OG1-OE2 3.02Å; T53-L57 PolarHBondContact O-N 3.04Å
54K78.6Confident59.2Low173 Ų173117.9 Ų117.975%0.75263%0.626SS**Hα-helixtrans-55.1-43.7178.2-69.5-179.2179.3177.80113.6E56 L57 E58K54-E56 VanDerWaalsContact C-N 3.35Å; K54-E56 PolarHBondContact O-N 3.21Å; K54-L57 WeakPolarHBondContact O-CB 3.43Å; K54-L57 PolarHBondContact O-N 3.41Å; K54-E58 PolarHBondContact O-N 3.46Å
55P77.8Confident59.9Low78 Ų78125 Ų12551%0.50663%0.629SS.*Hα-helixtrans-65.7-34.7175.8-19.933.2000113E58 L59P55-E58 PolarHBondContact O-N 2.93Å; P55-L59 WeakPolarHBondContact O-CB 3.46Å; P55-L59 VanDerWaalsContact O-CG 3.31Å; P55-L59 WeakPolarHBondContact O-CG 3.08Å; P55-L59 PolarHBondContact O-N 3.02Å
56E74.8Confident60.7Low63 Ų63128.3 Ų128.329%0.29464%0.635SS.*Hα-helixtrans-67.8-37.1173.4-73.9171.5130.200111.7W50 T53 K54 E58 L59 L60W50-E56 PolarHBondContact NE1-OE1 2.65Å; T53-E56 WeakPolarHBondContact CB-OE2 3.24Å; T53-E56 PolarHBondContact N-OE2 2.93Å; T53-E56 WeakPolarHBondContact O-CB 3.34Å; T53-E56 PolarHBondContact O-N 2.64Å; T53-E56 VanDerWaalsContact O-N 3.13Å; T53-E56 VanDerWaalsContact OG1-CD 3.27Å; T53-E56 VanDerWaalsContact OG1-CG 3.24Å; T53-E56 WeakPolarHBondContact OG1-CG 3.43Å; T53-E56 PolarHBondContact OG1-OE2 3.02Å; K54-E56 VanDerWaalsContact C-N 3.35Å; K54-E56 PolarHBondContact O-N 3.21Å; E56-E58 VanDerWaalsContact C-N 3.31Å; E56-E58 PolarHBondContact O-N 3.13Å; E56-L59 CarbonylContact O-C 3.4Å; E56-L59 PolarHBondContact O-N 2.63Å; E56-L60 WeakPolarHBondContact O-CB 3.38Å; E56-L60 WeakPolarHBondContact O-CG 3.12Å; E56-L60 PolarHBondContact O-N 2.74Å
57L75.4Confident61.8Low104 Ų104125.6 Ų125.655%0.54562%0.619SS.*Hα-helixtrans-61.3-40.9173.5-122.1144.1000111.3T53 K54 G61T53-L57 PolarHBondContact O-N 3.04Å; K54-L57 WeakPolarHBondContact O-CB 3.43Å; K54-L57 PolarHBondContact O-N 3.41Å; L57-G61 PolarHBondContact O-N 3.36Å
58E77.9Confident61.9Low133 Ų133127.9 Ų127.962%0.62162%0.623SS**Hα-helixtrans-65.9-42.9171.8-71173.2-175.700111.9K54 P55 E56 G61 H62K54-E58 PolarHBondContact O-N 3.46Å; P55-E58 PolarHBondContact O-N 2.93Å; E56-E58 VanDerWaalsContact C-N 3.31Å; E56-E58 PolarHBondContact O-N 3.13Å; E58-G61 CarbonylContact O-C 3.27Å; E58-G61 WeakPolarHBondContact O-CA 3.33Å; E58-G61 PolarHBondContact O-N 3.25Å; E58-H62 WeakPolarHBondContact O-CB 3.41Å; E58-H62 PolarHBondContact O-CD2 2.72Å; E58-H62 VanDerWaalsContact O-CD2 3.32Å; E58-H62 PolarHBondContact O-N 3.04Å
59L72.4Confident62.8Low102 Ų102128.3 Ų128.353%0.53462%0.618SS.*Hα-helixtrans-64.5-37.7175.9-76.9167000112.8P55 E56 G61 H62 N63P55-L59 WeakPolarHBondContact O-CB 3.46Å; P55-L59 VanDerWaalsContact O-CG 3.31Å; P55-L59 WeakPolarHBondContact O-CG 3.08Å; P55-L59 PolarHBondContact O-N 3.02Å; E56-L59 CarbonylContact O-C 3.4Å; E56-L59 PolarHBondContact O-N 2.63Å; L59-G61 VanDerWaalsContact C-N 3.33Å; L59-H62 PolarHBondContact O-N 3.41Å; L59-N63 WeakPolarHBondContact O-CB 3.15Å; L59-N63 PolarHBondContact O-N 2.82Å; L59-N63 PolarHBondContact O-ND2 3.02Å
60L69.2Low63.7Low93 Ų93124.7 Ų124.749%0.48760%0.596SS.*Hα-helixtrans-68.6-34.6173.5-72.3167.7000111.2W50 T52 E56 N63W50-L60 HydrophobicContact CH2-CD1 3.73Å; W50-L60 HydrophobicContact CZ2-CD1 3.95Å; T52-L60 HydrophobicContact CG2-CD1 4.22Å; E56-L60 WeakPolarHBondContact O-CB 3.38Å; E56-L60 WeakPolarHBondContact O-CG 3.12Å; E56-L60 PolarHBondContact O-N 2.74Å; L60-N63 CarbonylContact O-C 3.57Å
61G73.2Confident63.7Low56 Ų56122.2 Ų122.258%0.57760%0.602SS**Hα-helixtrans-65.3-43.517000000112.7L57 E58 L59 P64L57-G61 PolarHBondContact O-N 3.36Å; E58-G61 CarbonylContact O-C 3.27Å; E58-G61 WeakPolarHBondContact O-CA 3.33Å; E58-G61 PolarHBondContact O-N 3.25Å; L59-G61 VanDerWaalsContact C-N 3.33Å; G61-P64 WeakPolarHBondContact O-CD 2.98Å
62H72.7Confident64.1Low157 Ų157118.2 Ų118.273%0.72759%0.592SS**Hα-helixtrans-75.3-28.5178.9-85.6-63.9000113.9E58 L59 P64E58-H62 WeakPolarHBondContact O-CB 3.41Å; E58-H62 PolarHBondContact O-CD2 2.72Å; E58-H62 VanDerWaalsContact O-CD2 3.32Å; E58-H62 PolarHBondContact O-N 3.04Å; L59-H62 PolarHBondContact O-N 3.41Å; H62-P64 WeakPolarHBondContact O-CD 3.19Å
63N62Low64.6Low97 Ų97117.2 Ų117.252%0.51958%0.582SS.*  trans-114.667.8175.6-65.3-74.7000110.4L59 L60 R65L59-N63 WeakPolarHBondContact O-CB 3.15Å; L59-N63 PolarHBondContact O-N 2.82Å; L59-N63 PolarHBondContact O-ND2 3.02Å; L60-N63 CarbonylContact O-C 3.57Å; N63-R65 PolarHBondContact O-N 2.92Å
64P53.8Low64.7Low94 Ų94117.4 Ų117.461%0.6158%0.583SS**  trans-73.632.1178.435.6-37.5000111.6G61 H62 R66G61-P64 WeakPolarHBondContact O-CD 2.98Å; H62-P64 WeakPolarHBondContact O-CD 3.19Å; P64-R66 PolarHBondContact O-N 2.9Å
65R48.6Very low65Low223 Ų223110.4 Ų110.484%0.84255%0.554SS**  trans-66.449.9161.9-66.4-170.2179-176.70.8109.8N63 R67N63-R65 PolarHBondContact O-N 2.92Å; R65-R67 VanDerWaalsContact C-N 3.3Å; R65-R67 PolarHBondContact O-N 3.13Å
66R50.1Low65.5Low230 Ų230106.7 Ų106.787%0.86853%0.53SS*.  trans-48.9112.7138.1-72.6-176.7-165.9-124.5-0.3103.5P64 R68P64-R66 PolarHBondContact O-N 2.9Å; R66-R68 VanDerWaalsContact C-N 3.33Å; R66-R68 PolarHBondContact O-N 2.73Å
67R53.2Low66.2Low152 Ų152104.6 Ų104.657%0.57452%0.521SS*.  trans-46.4109.9168.9-81179.2168.5170.7-6.2104.8R65 I69 S135R65-R67 VanDerWaalsContact C-N 3.3Å; R65-R67 PolarHBondContact O-N 3.13Å; R67-I69 PolarHBondContact O-N 3.24Å; R67-S135 PolarHBondContact NH2-O 3.02Å
68R47.9Very low67Low220 Ų220100.1 Ų100.183%0.8350%0.497SS*.  trans-59.6113.8178.9-167.1178.3-167-177.74.1103.3R66 T70R66-R68 VanDerWaalsContact C-N 3.33Å; R66-R68 PolarHBondContact O-N 2.73Å; R68-T70 PolarHBondContact O-N 3.23Å
69I52.9Low67.8Low120 Ų12093.8 Ų93.862%0.61547%0.467SS*.  trans-67.587.3173.8-58.1175.6000104.3R67 F73R67-I69 PolarHBondContact O-N 3.24Å; I69-F73 HydrophobicContact CB-CD2 4.49Å; I69-F73 HydrophobicContact CG1-CD2 4.44Å; I69-F73 HydrophobicContact CG1-CE2 4.42Å; I69-F73 HydrophobicContact CG2-CB 3.88Å; I69-F73 HydrophobicContact CG2-CD1 4.45Å; I69-F73 HydrophobicContact CG2-CD2 4.16Å; I69-F73 HydrophobicContact CG2-CG 3.94Å
70T56.8Low69Low63 Ų6389 Ų8939%0.38744%0.442SS..  trans-65.1158.9173.154.10000107.6R68 S72 F73R68-T70 PolarHBondContact O-N 3.23Å; T70-S72 PolarHBondContact O-N 3.47Å; T70-S72 PolarHBondContact OG1-OG 2.89Å; T70-F73 WeakPolarHBondContact O-CB 3.37Å; T70-F73 PolarHBondContact O-N 3.23Å; T70-F73 VanDerWaalsContact O-N 3.09Å
71S55.7Low70.2Confident101 Ų10184.7 Ų84.771%0.70642%0.42SS*.THydrogen-bonded Turntrans-57.9-16.4171.546.50000113.2
72S59.7Low71.2Confident84 Ų8483.7 Ų83.759%0.58740%0.401SS*.THydrogen-bonded Turntrans-97.521.8176.858.20000114.2T70 T74T70-S72 PolarHBondContact O-N 3.47Å; T70-S72 PolarHBondContact OG1-OG 2.89Å; S72-T74 PolarHBondContact O-N 3.04Å
73F68.6Low72Confident46 Ų4676.9 Ų76.920%0.20237%0.37CS..  trans-66104.6-178.7-174.2-96.1000111.1I69 T70 I75 H387 H388I69-F73 HydrophobicContact CB-CD2 4.49Å; I69-F73 HydrophobicContact CG1-CD2 4.44Å; I69-F73 HydrophobicContact CG1-CE2 4.42Å; I69-F73 HydrophobicContact CG2-CB 3.88Å; I69-F73 HydrophobicContact CG2-CD1 4.45Å; I69-F73 HydrophobicContact CG2-CD2 4.16Å; I69-F73 HydrophobicContact CG2-CG 3.94Å; T70-F73 WeakPolarHBondContact O-CB 3.37Å; T70-F73 PolarHBondContact O-N 3.23Å; T70-F73 VanDerWaalsContact O-N 3.09Å; F73-I75 HydrophobicContact CD1-CB 4.39Å; F73-I75 HydrophobicContact CD2-CD1 4.1Å; F73-I75 HydrophobicContact CD2-CG1 4Å; F73-I75 HydrophobicContact CE1-CB 3.76Å; F73-I75 HydrophobicContact CE1-CD1 4.47Å; F73-I75 HydrophobicContact CE1-CG1 4.1Å; F73-I75 HydrophobicContact CE2-CB 4.1Å; F73-I75 HydrophobicContact CE2-CD1 3.26Å; F73-I75 HydrophobicContact CE2-CG1 3.53Å; F73-I75 HydrophobicContact CG-CG1 4.49Å; F73-I75 HydrophobicContact CZ-CB 3.6Å; F73-I75 HydrophobicContact CZ-CD1 3.5Å; F73-I75 HydrophobicContact CZ-CG1 3.59Å; F73-I75 HydrophobicContact CZ-CG2 4.45Å; F73-H387 PolarHBondContact O-CE1 3.21Å; F73-H388 AromaticContact CD1-CD2 3.69Å; F73-H388 AromaticContact CE1-CD2 3.85Å; F73-H388 AromaticContact CE1-NE2 3.75Å
74T77.6Confident73.2Confident76 Ų7674.2 Ų74.247%0.46637%0.366SS..  trans-108.317.9-179520000113.3S72 G76 L77S72-T74 PolarHBondContact O-N 3.04Å; T74-G76 PolarHBondContact O-N 2.84Å; T74-L77 HydrophobicContact CG2-CD1 4.43Å; T74-L77 WeakPolarHBondContact O-CA 3.39Å; T74-L77 WeakPolarHBondContact O-CB 3.32Å; T74-L77 PolarHBondContact O-N 3.35Å
75I85.6Confident74.9Confident26 Ų2673.2 Ų73.213%0.13336%0.355CS..THydrogen-bonded Turntrans-60.8135.2179.2-55.1-166.9000109.8F73 L77 Y134 H387F73-I75 HydrophobicContact CD1-CB 4.39Å; F73-I75 HydrophobicContact CD2-CD1 4.1Å; F73-I75 HydrophobicContact CD2-CG1 4Å; F73-I75 HydrophobicContact CE1-CB 3.76Å; F73-I75 HydrophobicContact CE1-CD1 4.47Å; F73-I75 HydrophobicContact CE1-CG1 4.1Å; F73-I75 HydrophobicContact CE2-CB 4.1Å; F73-I75 HydrophobicContact CE2-CD1 3.26Å; F73-I75 HydrophobicContact CE2-CG1 3.53Å; F73-I75 HydrophobicContact CG-CG1 4.49Å; F73-I75 HydrophobicContact CZ-CB 3.6Å; F73-I75 HydrophobicContact CZ-CD1 3.5Å; F73-I75 HydrophobicContact CZ-CG1 3.59Å; F73-I75 HydrophobicContact CZ-CG2 4.45Å; I75-L77 VanDerWaalsContact C-N 3.25Å; I75-L77 PolarHBondContact O-N 2.92Å; I75-Y134 HydrophobicContact CG2-CD1 3.75Å; I75-Y134 HydrophobicContact CG2-CG 4.35Å; I75-Y134 WeakPolarHBondContact CG2-O 3.3Å; I75-H387 PolarHBondContact O-NE2 2.95Å
76G87.2Confident77.1Confident1 Ų162.8 Ų62.81%0.0132%0.316CS..THydrogen-bonded Turntrans88.7-29.3-171.600000113.6T74 R78 H98 L133T74-G76 PolarHBondContact O-N 2.84Å; G76-R78 VanDerWaalsContact C-N 3.29Å; G76-R78 PolarHBondContact O-N 2.88Å; G76-H98 PolarHBondContact O-CE1 2.88Å; G76-H98 VanDerWaalsContact O-CE1 3.29Å; G76-L133 WeakPolarHBondContact CA-O 3.21Å; G76-L133 PolarHBondContact N-O 2.86Å
77L89.6Confident79.2Confident18 Ų1852.2 Ų52.29%0.09428%0.277CS..  trans-82.375.2174.7-66169.6000110.2T74 I75 I385 H387 F393 I400T74-L77 HydrophobicContact CG2-CD1 4.43Å; T74-L77 WeakPolarHBondContact O-CA 3.39Å; T74-L77 WeakPolarHBondContact O-CB 3.32Å; T74-L77 PolarHBondContact O-N 3.35Å; I75-L77 VanDerWaalsContact C-N 3.25Å; I75-L77 PolarHBondContact O-N 2.92Å; L77-I385 HydrophobicContact CD2-CG2 4.35Å; L77-H387 HydrophobicContact CD1-CB 3.91Å; L77-H387 VanDerWaalsContact CD1-CG 3.49Å; L77-H387 HydrophobicContact CD2-CB 4.44Å; L77-H387 HydrophobicContact CG-CB 4.44Å; L77-H387 WeakPolarHBondContact CG-CD2 3.49Å; L77-F393 HydrophobicContact CD1-CD1 4.13Å; L77-F393 HydrophobicContact CD1-CD2 3.47Å; L77-F393 VanDerWaalsContact CD1-CD2 3.47Å; L77-F393 HydrophobicContact CD1-CE1 4.12Å; L77-F393 HydrophobicContact CD1-CE2 3.47Å; L77-F393 VanDerWaalsContact CD1-CE2 3.47Å; L77-F393 HydrophobicContact CD1-CG 3.81Å; L77-F393 HydrophobicContact CD1-CZ 3.81Å; L77-F393 HydrophobicContact CD2-CB 4.27Å; L77-F393 HydrophobicContact CD2-CD2 4.28Å; L77-F393 HydrophobicContact CD2-CG 4.33Å; L77-I400 VanDerWaalsContact C-CD1 3.45Å; L77-I400 HydrophobicContact CB-CD1 4.21Å
78R92.9Very high81.2Confident10 Ų1045.3 Ų45.34%0.03825%0.252CS..  trans-114.5129177.2-174172.9-176.8-162.6-3.8109G76 Q94 E132 L133 N137 S139 H141 I400G76-R78 VanDerWaalsContact C-N 3.29Å; G76-R78 PolarHBondContact O-N 2.88Å; R78-Q94 PolarHBondContact O-NE2 3.41Å; R78-E132 PolarHBondContact NH1-O 3.2Å; R78-E132 IonicContact NH1-OE2 2.95Å; R78-E132 PolarHBondContact NH1-OE2 2.66Å; R78-L133 HydrophobicContact CB-CD2 3.74Å; R78-L133 HydrophobicContact CG-CD2 4.1Å; R78-N137 WeakPolarHBondContact CD-O 3.48Å; R78-N137 PolarHBondContact NE-O 3.26Å; R78-S139 WeakPolarHBondContact CG-O 3.5Å; R78-S139 PolarHBondContact NE-O 3.38Å; R78-S139 PolarHBondContact NH2-O 2.99Å; R78-S139 PolarHBondContact NH2-OG 3.36Å; R78-H141 HydrophobicContact CG-CB 4.31Å; R78-I400 VanDerWaalsContact C-CD1 3.42Å
79G94.7Very high83.5Confident1 Ų134.9 Ų34.91%0.0121%0.212CC..  trans-63.8150.6178.200000111.1P140 H141 D397G79-P140 CarbonylContact O-C 3.4Å; G79-P140 VanDerWaalsContact O-CA 3.27Å; G79-P140 WeakPolarHBondContact O-CA 3.28Å; G79-H141 PolarHBondContact O-N 3.34Å; G79-D397 CarbonylContact C-O 3.56Å; G79-D397 WeakPolarHBondContact CA-O 3.36Å
80L96.3Very high85.6Confident0 Ų029.3 Ų29.30%018%0.184CC..BIsolated β-bridgetrans-113.9126.3178.1-64.9174.3000109.6N82 N90 V93 Q94 L133 H141 P143 D397 A398L80-N82 PolarHBondContact O-N 2.77Å; L80-N90 HydrophobicContact CB-CB 4Å; L80-N90 WeakPolarHBondContact CB-OD1 3.36Å; L80-N90 HydrophobicContact CD1-CB 4.02Å; L80-N90 WeakPolarHBondContact CD1-O 3.49Å; L80-N90 PolarHBondContact O-ND2 3.05Å; L80-V93 HydrophobicContact CD1-CB 3.73Å; L80-V93 HydrophobicContact CD1-CG1 3.56Å; L80-Q94 HydrophobicContact CD1-CG 4.18Å; L80-L133 HydrophobicContact CD2-CD2 3.92Å; L80-H141 WeakPolarHBondContact CA-O 3.14Å; L80-H141 HydrophobicContact CD2-CB 4.1Å; L80-P143 HydrophobicContact CD2-CG 4.48Å; L80-D397 PolarHBondContact N-O 3.19Å; L80-D397 CarbonylContact O-C 3.56Å; L80-D397 VanDerWaalsContact O-CA 3.23Å; L80-D397 WeakPolarHBondContact O-CA 3.32Å; L80-D397 WeakPolarHBondContact O-CB 3.42Å; L80-A398 PolarHBondContact O-N 3.5Å
81I95.9Very high87.6Confident3 Ų326.5 Ų26.52%0.01517%0.166CC..  trans-64.9133.5176.7-64-52.3000110.1E18 A22 L83 N90 P140 H141 V142 A398E18-I81 HydrophobicContact CB-CG2 3.35Å; E18-I81 HydrophobicContact CG-CG2 4.28Å; A22-I81 HydrophobicContact CB-CD1 3.22Å; I81-L83 HydrophobicContact CG2-CD2 4.28Å; I81-N90 PolarHBondContact O-ND2 2.84Å; I81-P140 HydrophobicContact CD1-CB 3.41Å; I81-P140 VanDerWaalsContact CD1-CB 3.41Å; I81-P140 HydrophobicContact CD1-CG 4.19Å; I81-P140 HydrophobicContact CG1-CB 3.92Å; I81-H141 PolarHBondContact N-O 2.88Å; I81-V142 HydrophobicContact CB-CG1 4.23Å; I81-V142 HydrophobicContact CB-CG2 4.25Å; I81-V142 HydrophobicContact CG1-CG2 3.79Å; I81-V142 HydrophobicContact CG2-CG1 4.41Å; I81-A398 HydrophobicContact CD1-CB 3.73Å
82N93Very high89.6Confident35 Ų3521.7 Ų21.719%0.18713%0.133CC..  trans-77.4120.1169.6-165.5-34.1000108.8L80 G84 N85 T86 D397L80-N82 PolarHBondContact O-N 2.77Å; N82-G84 PolarHBondContact O-N 2.96Å; N82-G84 PolarHBondContact OD1-N 3.27Å; N82-G84 VanDerWaalsContact OD1-N 3.13Å; N82-N85 PolarHBondContact OD1-N 3.49Å; N82-T86 PolarHBondContact OD1-N 3.39Å; N82-T86 PolarHBondContact OD1-OG1 3.18Å; N82-D397 HydrophobicContact CB-CB 4.18Å; N82-D397 WeakPolarHBondContact CB-OD2 3.4Å; N82-D397 PolarHBondContact ND2-OD2 2.69Å
83L90.9Very high91.4Very high14 Ų1417.8 Ų17.87%0.07311%0.105CC..  trans-93.928.6-177.5-67.6173.1000112A15 I81 T86 V142 L147A15-L83 HydrophobicContact CB-CD2 4.09Å; I81-L83 HydrophobicContact CG2-CD2 4.28Å; L83-T86 HydrophobicContact CB-CG2 3.93Å; L83-T86 PolarHBondContact N-OG1 3.48Å; L83-V142 HydrophobicContact CD1-CG1 4.36Å; L83-V142 HydrophobicContact CD2-CG1 3.61Å; L83-V142 HydrophobicContact CG-CG1 4.34Å; L83-L147 HydrophobicContact CB-CD2 4.07Å; L83-L147 HydrophobicContact CD1-CD2 3.97Å
84G87.2Confident92.8Very high42 Ų4215.7 Ų15.743%0.43310%0.097SC..SBendtrans87106.6-173.300000111.9N82 T86N82-G84 PolarHBondContact O-N 2.96Å; N82-G84 PolarHBondContact OD1-N 3.27Å; N82-G84 VanDerWaalsContact OD1-N 3.13Å; G84-T86 WeakPolarHBondContact O-CG2 3.25Å; G84-T86 PolarHBondContact O-N 2.96Å
85N89Confident93.7Very high72 Ų7212.1 Ų12.139%0.3857%0.074SC..SBendtrans57.423.6-178-61.5-43000114.7N82 F88 Y160 Q162N82-N85 PolarHBondContact OD1-N 3.49Å; N85-F88 WeakPolarHBondContact O-CD1 3.27Å; N85-F88 WeakPolarHBondContact O-CE1 3.34Å; N85-Y160 PolarHBondContact ND2-O 3.33Å; N85-Q162 HydrophobicContact CB-CG 4.1Å
86T93.6Very high94.3Very high5 Ų511 Ų113%0.0317%0.069CC..  trans-102.613.5-176.171.30000114.9N82 L83 G84 F88 M89 N90 L147N82-T86 PolarHBondContact OD1-N 3.39Å; N82-T86 PolarHBondContact OD1-OG1 3.18Å; L83-T86 HydrophobicContact CB-CG2 3.93Å; L83-T86 PolarHBondContact N-OG1 3.48Å; G84-T86 WeakPolarHBondContact O-CG2 3.25Å; G84-T86 PolarHBondContact O-N 2.96Å; T86-F88 PolarHBondContact O-N 2.99Å; T86-M89 WeakPolarHBondContact O-CB 3.36Å; T86-M89 PolarHBondContact O-N 2.74Å; T86-M89 VanDerWaalsContact O-N 3.07Å; T86-N90 PolarHBondContact O-N 3.38Å; T86-N90 VanDerWaalsContact O-N 3.09Å; T86-L147 HydrophobicContact CG2-CD1 4.08Å; T86-L147 HydrophobicContact CG2-CD2 4.02Å
87C95Very high94.7Very high7 Ų711 Ų115%0.0477%0.068CC..Hα-helixtrans-61-2918054.60000112.9M89 N90 C91 H380 Y381 D397C87-M89 PolarHBondContact O-N 2.85Å; C87-N90 PolarHBondContact O-N 3.13Å; C87-C91 PolarHBondContact O-N 2.81Å; C87-C91 PolarHBondContact O-SG 3.17Å; C87-H380 PolarHBondContact SG-ND1 2.85Å; C87-H380 VanDerWaalsContact SG-ND1 3.39Å; C87-Y381 PolarHBondContact SG-N 3.47Å; C87-Y381 VanDerWaalsContact SG-N 3.36Å; C87-D397 WeakPolarHBondContact CA-OD1 3.42Å; C87-D397 WeakPolarHBondContact CB-OD1 3.12Å
88F95.2Very high94.9Very high8 Ų810.7 Ų10.74%0.0357%0.067CC..Hα-helixtrans-58.4-46.5172.870.9-93000111.3N85 T86 I92 Q163 A165 F168 Y381N85-F88 WeakPolarHBondContact O-CD1 3.27Å; N85-F88 WeakPolarHBondContact O-CE1 3.34Å; T86-F88 PolarHBondContact O-N 2.99Å; F88-I92 WeakPolarHBondContact O-CG1 3.49Å; F88-I92 PolarHBondContact O-N 3.43Å; F88-Q163 HydrophobicContact CD1-CB 4.04Å; F88-Q163 HydrophobicContact CD2-CB 4.13Å; F88-Q163 HydrophobicContact CE1-CB 3.72Å; F88-Q163 HydrophobicContact CE1-CG 3.94Å; F88-Q163 HydrophobicContact CE2-CB 3.85Å; F88-Q163 HydrophobicContact CE2-CG 4.34Å; F88-Q163 HydrophobicContact CG-CB 4.24Å; F88-Q163 HydrophobicContact CZ-CB 3.65Å; F88-Q163 HydrophobicContact CZ-CG 3.76Å; F88-A165 HydrophobicContact CB-CB 3.92Å; F88-F168 HydrophobicContact CD2-CB 3.64Å; F88-F168 HydrophobicContact CD2-CD2 4.1Å; F88-F168 AromaticContact CD2-CG 3.86Å; F88-F168 HydrophobicContact CD2-CG 3.86Å; F88-F168 HydrophobicContact CE2-CB 3.8Å; F88-F168 AromaticContact CE2-CD2 3.53Å; F88-F168 HydrophobicContact CE2-CD2 3.53Å; F88-F168 HydrophobicContact CE2-CE2 4.3Å; F88-F168 AromaticContact CE2-CG 3.79Å; F88-F168 HydrophobicContact CE2-CG 3.79Å; F88-Y381 HydrophobicContact CB-CD2 3.58Å; F88-Y381 HydrophobicContact CB-CE2 3.71Å; F88-Y381 HydrophobicContact CB-CG 4.22Å
89M96.2Very high95Very high0 Ų010.3 Ų10.30%07%0.065CC..Hα-helixtrans-65.6-46.6177169.6179.380.500110.3T86 C87 C91 I92 V93 P143 L146 L147 F168T86-M89 WeakPolarHBondContact O-CB 3.36Å; T86-M89 PolarHBondContact O-N 2.74Å; T86-M89 VanDerWaalsContact O-N 3.07Å; C87-M89 PolarHBondContact O-N 2.85Å; M89-C91 VanDerWaalsContact C-N 3.29Å; M89-C91 PolarHBondContact O-N 3.28Å; M89-I92 PolarHBondContact O-N 3.42Å; M89-I92 VanDerWaalsContact O-N 3.15Å; M89-V93 HydrophobicContact CG-CG2 4.04Å; M89-V93 VanDerWaalsContact O-CG2 3.3Å; M89-V93 WeakPolarHBondContact O-CG2 3.43Å; M89-V93 PolarHBondContact O-N 2.91Å; M89-P143 HydrophobicContact CE-CB 4.16Å; M89-P143 HydrophobicContact CE-CG 3.66Å; M89-L146 HydrophobicContact CG-CD2 4.32Å; M89-L146 HydrophobicContact SD-CD2 4.03Å; M89-L146 HydrophobicContact SD-CG 4.18Å; M89-L147 HydrophobicContact CE-CB 4.11Å; M89-L147 HydrophobicContact CE-CD1 4.33Å; M89-L147 HydrophobicContact SD-CB 4.14Å; M89-L147 HydrophobicContact SD-CD1 4.09Å; M89-F168 HydrophobicContact CB-CD2 4.38Å; M89-F168 HydrophobicContact CB-CE1 4.19Å; M89-F168 HydrophobicContact CB-CE2 3.94Å; M89-F168 HydrophobicContact CB-CZ 3.88Å; M89-F168 HydrophobicContact CG-CE1 3.97Å; M89-F168 HydrophobicContact CG-CE2 3.8Å; M89-F168 HydrophobicContact CG-CZ 3.42Å; M89-F168 VanDerWaalsContact CG-CZ 3.42Å; M89-F168 HydrophobicContact SD-CE2 4.17Å; M89-F168 HydrophobicContact SD-CZ 4.13Å
90N97.2Very high94.8Very high4 Ų412.5 Ų12.52%0.0218%0.079CC..Hα-helixtrans-56.7-44.4-178.2-72.1-13.6000111.7L80 I81 T86 C87 I92 V93 Q94 D397L80-N90 HydrophobicContact CB-CB 4Å; L80-N90 WeakPolarHBondContact CB-OD1 3.36Å; L80-N90 HydrophobicContact CD1-CB 4.02Å; L80-N90 WeakPolarHBondContact CD1-O 3.49Å; L80-N90 PolarHBondContact O-ND2 3.05Å; I81-N90 PolarHBondContact O-ND2 2.84Å; T86-N90 PolarHBondContact O-N 3.38Å; T86-N90 VanDerWaalsContact O-N 3.09Å; C87-N90 PolarHBondContact O-N 3.13Å; N90-I92 PolarHBondContact O-N 2.85Å; N90-V93 PolarHBondContact O-N 3.31Å; N90-Q94 VanDerWaalsContact O-CG 3.29Å; N90-Q94 WeakPolarHBondContact O-CG 3.28Å; N90-Q94 PolarHBondContact O-N 3.42Å; N90-D397 PolarHBondContact ND2-OD1 2.83Å
91C97.9Very high94.6Very high3 Ų315 Ų152%0.029%0.092CC..Hα-helixtrans-63-42.4177.8-68.80000112.9C87 M89 Q94 A95 V370 T382C87-C91 PolarHBondContact O-N 2.81Å; C87-C91 PolarHBondContact O-SG 3.17Å; M89-C91 VanDerWaalsContact C-N 3.29Å; M89-C91 PolarHBondContact O-N 3.28Å; C91-Q94 PolarHBondContact O-N 3.07Å; C91-A95 PolarHBondContact O-N 3.41Å; C91-A95 VanDerWaalsContact O-N 3.07Å; C91-V370 HydrophobicContact CB-CG1 3.81Å; C91-V370 HydrophobicContact CB-CG2 4.03Å; C91-T382 WeakPolarHBondContact SG-CA 3.19Å; C91-T382 PolarHBondContact SG-N 3.15Å
92I98.1Very high94.4Very high0 Ų014.8 Ų14.80%09%0.091CC..Hα-helixtrans-68-41.3177.6-62.7-54000111F88 M89 N90 Q94 A95 L96 A165 F168 L169 V370 L415 F417F88-I92 WeakPolarHBondContact O-CG1 3.49Å; F88-I92 PolarHBondContact O-N 3.43Å; M89-I92 PolarHBondContact O-N 3.42Å; M89-I92 VanDerWaalsContact O-N 3.15Å; N90-I92 PolarHBondContact O-N 2.85Å; I92-Q94 VanDerWaalsContact C-N 3.32Å; I92-Q94 PolarHBondContact O-N 3.46Å; I92-A95 PolarHBondContact O-N 3.46Å; I92-L96 HydrophobicContact CG2-CD1 3.92Å; I92-L96 HydrophobicContact CG2-CG 4.15Å; I92-L96 WeakPolarHBondContact O-CG 3.34Å; I92-L96 PolarHBondContact O-N 2.79Å; I92-A165 HydrophobicContact CD1-CB 4.26Å; I92-A165 HydrophobicContact CG1-CB 4.21Å; I92-A165 WeakPolarHBondContact CG1-O 3.32Å; I92-F168 HydrophobicContact CB-CD1 3.72Å; I92-F168 HydrophobicContact CB-CE1 3.86Å; I92-F168 HydrophobicContact CG1-CD1 3.87Å; I92-F168 HydrophobicContact CG2-CD1 3.77Å; I92-F168 HydrophobicContact CG2-CE1 3.79Å; I92-L169 HydrophobicContact CD1-CB 4Å; I92-L169 HydrophobicContact CG1-CB 4.32Å; I92-L169 HydrophobicContact CG2-CB 4.23Å; I92-L169 HydrophobicContact CG2-CD1 3.83Å; I92-V370 HydrophobicContact CD1-CG2 4.44Å; I92-L415 HydrophobicContact CD1-CD1 3.54Å; I92-F417 HydrophobicContact CD1-CZ 4.08Å
93V97.8Very high94.4Very high2 Ų215.5 Ų15.51%0.0129%0.091CC..Hα-helixtrans-58.9-45.3174.5171.60000110.6L80 M89 N90 A95 L96 T97 L129 L133 L146L80-V93 HydrophobicContact CD1-CB 3.73Å; L80-V93 HydrophobicContact CD1-CG1 3.56Å; M89-V93 HydrophobicContact CG-CG2 4.04Å; M89-V93 VanDerWaalsContact O-CG2 3.3Å; M89-V93 WeakPolarHBondContact O-CG2 3.43Å; M89-V93 PolarHBondContact O-N 2.91Å; N90-V93 PolarHBondContact O-N 3.31Å; V93-A95 VanDerWaalsContact C-N 3.33Å; V93-A95 PolarHBondContact O-N 3.29Å; V93-L96 PolarHBondContact O-N 3.21Å; V93-T97 HydrophobicContact CG1-CG2 3.91Å; V93-T97 WeakPolarHBondContact O-CB 3.46Å; V93-T97 WeakPolarHBondContact O-CG2 3.39Å; V93-T97 PolarHBondContact O-N 3.3Å; V93-T97 PolarHBondContact O-OG1 3.19Å; V93-L129 HydrophobicContact CG1-CD2 3.71Å; V93-L133 HydrophobicContact CG1-CD1 4.48Å; V93-L146 HydrophobicContact CG2-CD2 3.34Å
94Q97.2Very high94.3Very high3 Ų318.7 Ų18.71%0.01411%0.108CC..Hα-helixtrans-59-43.4176.1-68.8-67.8-3.300111.9R78 L80 N90 C91 I92 T97 H98 I385 C395R78-Q94 PolarHBondContact O-NE2 3.41Å; L80-Q94 HydrophobicContact CD1-CG 4.18Å; N90-Q94 VanDerWaalsContact O-CG 3.29Å; N90-Q94 WeakPolarHBondContact O-CG 3.28Å; N90-Q94 PolarHBondContact O-N 3.42Å; C91-Q94 PolarHBondContact O-N 3.07Å; I92-Q94 VanDerWaalsContact C-N 3.32Å; I92-Q94 PolarHBondContact O-N 3.46Å; Q94-T97 PolarHBondContact O-OG1 3.34Å; Q94-H98 WeakPolarHBondContact O-CB 3.49Å; Q94-H98 PolarHBondContact O-N 3.21Å; Q94-H98 PolarHBondContact O-ND1 3.08Å; Q94-H98 PolarHBondContact OE1-CE1 3.23Å; Q94-I385 HydrophobicContact CB-CD1 3.92Å; Q94-I385 HydrophobicContact CB-CG1 4.12Å; Q94-C395 HydrophobicContact CG-CB 4.13Å
95A97.8Very high94.5Very high0 Ų018.3 Ų18.30%010%0.095CC..Hα-helixtrans-65-44.4177.600000112.5C91 I92 V93 T99 A368 F417C91-A95 PolarHBondContact O-N 3.41Å; C91-A95 VanDerWaalsContact O-N 3.07Å; I92-A95 PolarHBondContact O-N 3.46Å; V93-A95 VanDerWaalsContact C-N 3.33Å; V93-A95 PolarHBondContact O-N 3.29Å; A95-T99 PolarHBondContact O-N 2.93Å; A95-T99 PolarHBondContact O-OG1 2.87Å; A95-T99 VanDerWaalsContact O-OG1 3.08Å; A95-A368 HydrophobicContact CB-CB 3.96Å; A95-F417 HydrophobicContact CB-CD1 4.29Å; A95-F417 HydrophobicContact CB-CD2 3.9Å; A95-F417 HydrophobicContact CB-CE1 4.14Å; A95-F417 HydrophobicContact CB-CE2 3.74Å; A95-F417 HydrophobicContact CB-CG 4.18Å; A95-F417 HydrophobicContact CB-CZ 3.86Å
96L97.3Very high94.6Very high4 Ų414.9 Ų14.92%0.0218%0.076CC..Hα-helixtrans-65.9-43.6178.2-67.6178.1000111.5I92 V93 H98 T99 L102 L169 L173 F203I92-L96 HydrophobicContact CG2-CD1 3.92Å; I92-L96 HydrophobicContact CG2-CG 4.15Å; I92-L96 WeakPolarHBondContact O-CG 3.34Å; I92-L96 PolarHBondContact O-N 2.79Å; V93-L96 PolarHBondContact O-N 3.21Å; L96-H98 VanDerWaalsContact C-N 3.25Å; L96-H98 PolarHBondContact O-N 3.43Å; L96-T99 WeakPolarHBondContact O-CB 3.29Å; L96-T99 PolarHBondContact O-N 2.87Å; L96-T99 VanDerWaalsContact O-N 3.13Å; L96-L102 HydrophobicContact CB-CD2 4.08Å; L96-L102 HydrophobicContact CD2-CD2 4.07Å; L96-L169 HydrophobicContact CD2-CD1 4.36Å; L96-L173 HydrophobicContact CD2-CD2 4.3Å; L96-F203 HydrophobicContact CD2-CE1 4.31Å; L96-F203 HydrophobicContact CD2-CE2 4.3Å; L96-F203 HydrophobicContact CD2-CZ 3.68Å
97T95.6Very high94.5Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-68.7-26.7-176.460.40000113.1V93 Q94 F130 L133 Y134V93-T97 HydrophobicContact CG1-CG2 3.91Å; V93-T97 WeakPolarHBondContact O-CB 3.46Å; V93-T97 WeakPolarHBondContact O-CG2 3.39Å; V93-T97 PolarHBondContact O-N 3.3Å; V93-T97 PolarHBondContact O-OG1 3.19Å; Q94-T97 PolarHBondContact O-OG1 3.34Å; T97-F130 VanDerWaalsContact CA-CE1 3.45Å; T97-F130 VanDerWaalsContact CA-CZ 3.48Å; T97-F130 HydrophobicContact CG2-CD2 4.48Å; T97-F130 HydrophobicContact CG2-CE1 4.22Å; T97-F130 HydrophobicContact CG2-CE2 4.18Å; T97-F130 HydrophobicContact CG2-CZ 4.07Å; T97-F130 WeakPolarHBondContact O-CE1 3.35Å; T97-L133 HydrophobicContact CG2-CD1 3.36Å; T97-Y134 PolarHBondContact O-OH 3Å; T97-Y134 VanDerWaalsContact O-OH 3.11Å
98H94.9Very high94.1Very high12 Ų1220.5 Ų20.56%0.05611%0.11CC..THydrogen-bonded Turntrans-92.24.9176.2-68.482.1000114G76 Q94 L96 P100 I385G76-H98 PolarHBondContact O-CE1 2.88Å; G76-H98 VanDerWaalsContact O-CE1 3.29Å; Q94-H98 WeakPolarHBondContact O-CB 3.49Å; Q94-H98 PolarHBondContact O-N 3.21Å; Q94-H98 PolarHBondContact O-ND1 3.08Å; Q94-H98 PolarHBondContact OE1-CE1 3.23Å; L96-H98 VanDerWaalsContact C-N 3.25Å; L96-H98 PolarHBondContact O-N 3.43Å; H98-P100 VanDerWaalsContact O-CD 3.27Å; H98-P100 WeakPolarHBondContact O-CD 3.43Å; H98-I385 HydrophobicContact CB-CG2 3.76Å; H98-I385 VanDerWaalsContact CD2-CG2 3.42Å; H98-I385 WeakPolarHBondContact CD2-CG2 3.44Å
99T95Very high93.1Very high1 Ų124.8 Ų24.81%0.00613%0.134CC..  trans-75.9113169-64.20000109.6A95 L96 I101 L102 R103 I202 F203 V305 F367A95-T99 PolarHBondContact O-N 2.93Å; A95-T99 PolarHBondContact O-OG1 2.87Å; A95-T99 VanDerWaalsContact O-OG1 3.08Å; L96-T99 WeakPolarHBondContact O-CB 3.29Å; L96-T99 PolarHBondContact O-N 2.87Å; L96-T99 VanDerWaalsContact O-N 3.13Å; T99-I101 PolarHBondContact O-N 3.11Å; T99-L102 HydrophobicContact CG2-CB 3.72Å; T99-L102 PolarHBondContact O-N 3.24Å; T99-R103 WeakPolarHBondContact O-CB 3.32Å; T99-R103 PolarHBondContact O-N 3.46Å; T99-I202 HydrophobicContact CG2-CG2 4.22Å; T99-F203 HydrophobicContact CG2-CZ 4.45Å; T99-V305 HydrophobicContact CG2-CG2 3.7Å; T99-F367 WeakPolarHBondContact OG1-CZ 3.43Å
100P90.4Very high92.2Very high47 Ų4733.2 Ų33.231%0.30517%0.166SC..Hα-helixtrans-59-45.6-168.9-27.936.9000114.9H98 L102 R103 D104H98-P100 VanDerWaalsContact O-CD 3.27Å; H98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-L102 VanDerWaalsContact C-N 3.34Å; P100-L102 PolarHBondContact O-N 3.47Å; P100-R103 WeakPolarHBondContact O-CB 3.47Å; P100-R103 PolarHBondContact O-N 2.72Å; P100-D104 WeakPolarHBondContact O-CB 3.39Å; P100-D104 PolarHBondContact O-N 2.99Å
101I90.9Very high91.6Very high52 Ų5234.8 Ų34.827%0.26717%0.173SC..Hα-helixtrans-67.4-39.1-178.8-54.9178000110.9T99 D104 F105 I198 I202 V304 L423T99-I101 PolarHBondContact O-N 3.11Å; I101-D104 PolarHBondContact O-N 3.14Å; I101-F105 WeakPolarHBondContact O-CB 3.3Å; I101-F105 PolarHBondContact O-N 2.74Å; I101-I198 HydrophobicContact CG2-CD1 4.32Å; I101-I202 HydrophobicContact CB-CD1 3.85Å; I101-I202 HydrophobicContact CB-CG1 4.26Å; I101-I202 HydrophobicContact CG2-CD1 3.68Å; I101-I202 HydrophobicContact CG2-CG1 3.95Å; I101-V304 HydrophobicContact CD1-CB 4.47Å; I101-V304 HydrophobicContact CD1-CG1 3.44Å; I101-V304 VanDerWaalsContact CD1-CG1 3.44Å; I101-L423 HydrophobicContact CD1-CD1 3.59Å; I101-L423 HydrophobicContact CD1-CD2 3.92Å; I101-L423 HydrophobicContact CD1-CG 4.43Å; I101-L423 HydrophobicContact CG1-CD1 4.19Å
102L92.6Very high90.9Very high0 Ų044.9 Ų44.90%021%0.21CC..Hα-helixtrans-66.7-43.4178-165.664.1000110.5L96 T99 P100 F105 F106 F130 I198 I199 I202 F203L96-L102 HydrophobicContact CB-CD2 4.08Å; L96-L102 HydrophobicContact CD2-CD2 4.07Å; T99-L102 HydrophobicContact CG2-CB 3.72Å; T99-L102 PolarHBondContact O-N 3.24Å; P100-L102 VanDerWaalsContact C-N 3.34Å; P100-L102 PolarHBondContact O-N 3.47Å; L102-F105 WeakPolarHBondContact O-CB 3.49Å; L102-F105 PolarHBondContact O-N 2.85Å; L102-F106 HydrophobicContact CD1-CD2 3.95Å; L102-F106 HydrophobicContact CD1-CE2 3.44Å; L102-F106 VanDerWaalsContact CD1-CE2 3.44Å; L102-F106 HydrophobicContact CD1-CZ 4.43Å; L102-F106 HydrophobicContact CD2-CE2 4.17Å; L102-F106 HydrophobicContact CG-CD2 3.75Å; L102-F106 HydrophobicContact CG-CE2 3.57Å; L102-F106 WeakPolarHBondContact O-CD2 3.34Å; L102-F106 PolarHBondContact O-N 2.89Å; L102-F130 HydrophobicContact CD2-CZ 4.38Å; L102-F130 HydrophobicContact CG-CZ 4.21Å; L102-I198 HydrophobicContact CD1-CG1 4.22Å; L102-I199 HydrophobicContact CD1-CD1 4.15Å; L102-I202 HydrophobicContact CB-CD1 3.93Å; L102-I202 HydrophobicContact CD1-CD1 3.96Å; L102-F203 HydrophobicContact CD2-CE2 4.07Å; L102-F203 HydrophobicContact CD2-CZ 4.21Å
103R92.1Very high90.5Very high50 Ų5046.8 Ų46.819%0.18922%0.223CC..Hα-helixtrans-56.7-50.4172.8-179.9-162.765.1-137.5-5.5111.7T99 P100 F105 F106 L107 F130 Y134T99-R103 WeakPolarHBondContact O-CB 3.32Å; T99-R103 PolarHBondContact O-N 3.46Å; P100-R103 WeakPolarHBondContact O-CB 3.47Å; P100-R103 PolarHBondContact O-N 2.72Å; R103-F105 VanDerWaalsContact C-N 3.27Å; R103-F105 PolarHBondContact O-N 2.92Å; R103-F106 PolarHBondContact O-N 3.41Å; R103-L107 HydrophobicContact CG-CD1 3.67Å; R103-L107 HydrophobicContact CG-CG 4.29Å; R103-L107 WeakPolarHBondContact O-CB 3.46Å; R103-L107 WeakPolarHBondContact O-CG 3.35Å; R103-L107 PolarHBondContact O-N 3.41Å; R103-F130 HydrophobicContact CB-CD1 4.21Å; R103-F130 HydrophobicContact CB-CE1 3.71Å; R103-F130 HydrophobicContact CG-CD1 4.12Å; R103-F130 HydrophobicContact CG-CE1 4.11Å; R103-Y134 WeakPolarHBondContact CD-OH 3.31Å; R103-Y134 HydrophobicContact CG-CE1 4.31Å; R103-Y134 HydrophobicContact CG-CE2 3.91Å
104D90.1Very high89.9Confident81 Ų8153.5 Ų53.543%0.43326%0.255SS..Hα-helixtrans-64.1-37-177.9-63.2-6.6000110.5P100 I101 S108P100-D104 WeakPolarHBondContact O-CB 3.39Å; P100-D104 PolarHBondContact O-N 2.99Å; I101-D104 PolarHBondContact O-N 3.14Å; D104-S108 WeakPolarHBondContact O-CB 3.39Å; D104-S108 PolarHBondContact O-N 3.01Å; D104-S108 VanDerWaalsContact O-N 3.11Å; D104-S108 PolarHBondContact O-OG 2.81Å
105F90.5Very high89.4Confident33 Ų3355.5 Ų55.515%0.14526%0.264CS..Hα-helixtrans-61-53.3172.7174.3-93000112.7I101 L102 R103 L107 S108 R110 I198I101-F105 WeakPolarHBondContact O-CB 3.3Å; I101-F105 PolarHBondContact O-N 2.74Å; L102-F105 WeakPolarHBondContact O-CB 3.49Å; L102-F105 PolarHBondContact O-N 2.85Å; R103-F105 VanDerWaalsContact C-N 3.27Å; R103-F105 PolarHBondContact O-N 2.92Å; F105-L107 VanDerWaalsContact C-N 3.34Å; F105-L107 PolarHBondContact O-N 3.29Å; F105-S108 PolarHBondContact O-N 2.73Å; F105-R110 HydrophobicContact CD2-CB 4.05Å; F105-R110 HydrophobicContact CE2-CB 3.81Å; F105-R110 HydrophobicContact CZ-CB 4.41Å; F105-I198 HydrophobicContact CB-CD1 4.03Å; F105-I198 HydrophobicContact CB-CG1 3.88Å; F105-I198 HydrophobicContact CD1-CB 4.27Å; F105-I198 HydrophobicContact CD1-CG1 4.04Å; F105-I198 HydrophobicContact CD1-CG2 3.92Å; F105-I198 HydrophobicContact CD2-CB 3.95Å; F105-I198 HydrophobicContact CD2-CD1 3.94Å; F105-I198 HydrophobicContact CD2-CG1 3.79Å; F105-I198 HydrophobicContact CD2-CG2 4.41Å; F105-I198 HydrophobicContact CE1-CB 4.31Å; F105-I198 HydrophobicContact CE1-CG2 3.71Å; F105-I198 HydrophobicContact CE2-CB 3.97Å; F105-I198 HydrophobicContact CE2-CG1 4.33Å; F105-I198 HydrophobicContact CE2-CG2 4.22Å; F105-I198 HydrophobicContact CG-CB 4.11Å; F105-I198 HydrophobicContact CG-CD1 4.07Å; F105-I198 HydrophobicContact CG-CG1 3.63Å; F105-I198 HydrophobicContact CG-CG2 4.28Å; F105-I198 HydrophobicContact CZ-CB 4.15Å; F105-I198 HydrophobicContact CZ-CG2 3.87Å
106F91.9Very high88.9Confident1 Ų161.4 Ų61.40%0.00430%0.303CS..Hα-helixtrans-70.6-27.9-175.3-79.8-67000113.7L102 R103 V123 M126 S127 F130 L176L102-F106 HydrophobicContact CD1-CD2 3.95Å; L102-F106 HydrophobicContact CD1-CE2 3.44Å; L102-F106 VanDerWaalsContact CD1-CE2 3.44Å; L102-F106 HydrophobicContact CD1-CZ 4.43Å; L102-F106 HydrophobicContact CD2-CE2 4.17Å; L102-F106 HydrophobicContact CG-CD2 3.75Å; L102-F106 HydrophobicContact CG-CE2 3.57Å; L102-F106 WeakPolarHBondContact O-CD2 3.34Å; L102-F106 PolarHBondContact O-N 2.89Å; R103-F106 PolarHBondContact O-N 3.41Å; F106-V123 HydrophobicContact CE1-CB 4.45Å; F106-V123 HydrophobicContact CE1-CG1 3.64Å; F106-V123 HydrophobicContact CZ-CG1 4.39Å; F106-M126 HydrophobicContact CD1-CB 4Å; F106-M126 HydrophobicContact CE1-CB 3.45Å; F106-M126 VanDerWaalsContact CE1-CB 3.45Å; F106-M126 HydrophobicContact CE1-CG 4.49Å; F106-M126 HydrophobicContact CE2-CB 4.21Å; F106-M126 HydrophobicContact CZ-CB 3.59Å; F106-M126 HydrophobicContact CZ-CG 4.22Å; F106-S127 WeakPolarHBondContact CD1-OG 3.29Å; F106-F130 HydrophobicContact CB-CB 4Å; F106-F130 HydrophobicContact CB-CD1 4.22Å; F106-F130 HydrophobicContact CB-CD2 3.58Å; F106-F130 HydrophobicContact CB-CE2 4.02Å; F106-F130 HydrophobicContact CB-CG 3.68Å; F106-F130 HydrophobicContact CB-CZ 4.48Å; F106-F130 HydrophobicContact CD1-CD2 4.44Å; F106-F130 AromaticContact CD2-CD2 3.61Å; F106-F130 HydrophobicContact CD2-CD2 3.61Å; F106-F130 HydrophobicContact CD2-CE1 4.49Å; F106-F130 AromaticContact CD2-CE2 3.17Å; F106-F130 HydrophobicContact CD2-CE2 3.17Å; F106-F130 HydrophobicContact CD2-CG 4.43Å; F106-F130 AromaticContact CD2-CZ 3.67Å; F106-F130 HydrophobicContact CD2-CZ 3.67Å; F106-F130 HydrophobicContact CE2-CD2 4.38Å; F106-F130 AromaticContact CE2-CE2 3.72Å; F106-F130 HydrophobicContact CE2-CE2 3.72Å; F106-F130 HydrophobicContact CE2-CZ 4.35Å; F106-F130 AromaticContact CG-CD2 3.65Å; F106-F130 HydrophobicContact CG-CD2 3.65Å; F106-F130 AromaticContact CG-CE2 3.74Å; F106-F130 HydrophobicContact CG-CE2 3.74Å; F106-F130 HydrophobicContact CG-CG 4.27Å; F106-F130 HydrophobicContact CG-CZ 4.43Å; F106-L176 HydrophobicContact CZ-CD2 4.3Å
107L90.1Very high88.6Confident64 Ų6463.3 Ų63.334%0.33532%0.316SS..Hα-helixtrans-86.6-10.4175.5-65.5-178.6000113.8R103 F105 F130 R131 Y134R103-L107 HydrophobicContact CG-CD1 3.67Å; R103-L107 HydrophobicContact CG-CG 4.29Å; R103-L107 WeakPolarHBondContact O-CB 3.46Å; R103-L107 WeakPolarHBondContact O-CG 3.35Å; R103-L107 PolarHBondContact O-N 3.41Å; F105-L107 VanDerWaalsContact C-N 3.34Å; F105-L107 PolarHBondContact O-N 3.29Å; L107-F130 HydrophobicContact CD2-CB 3.92Å; L107-F130 HydrophobicContact CG-CB 4.43Å; L107-R131 HydrophobicContact CD2-CG 4.3Å; L107-Y134 HydrophobicContact CD1-CD1 4.37Å; L107-Y134 HydrophobicContact CD1-CD2 4.28Å; L107-Y134 HydrophobicContact CD1-CG 4.03Å
108S87.2Confident88.3Confident65 Ų6565.7 Ų65.746%0.45533%0.332SS..THydrogen-bonded Turntrans-93.211177.7-62.70000113.6D104 F105 R110D104-S108 WeakPolarHBondContact O-CB 3.39Å; D104-S108 PolarHBondContact O-N 3.01Å; D104-S108 VanDerWaalsContact O-N 3.11Å; D104-S108 PolarHBondContact O-OG 2.81Å; F105-S108 PolarHBondContact O-N 2.73Å; S108-R110 PolarHBondContact O-N 2.93Å
109D74.8Confident88.1Confident98 Ų9871.3 Ų71.352%0.52436%0.358SS..THydrogen-bonded Turntrans47.835.7-178.9-65.4-46.5000114.1H111 R131D109-H111 VanDerWaalsContact C-N 3.3Å; D109-H111 PolarHBondContact O-N 3.45Å; D109-R131 IonicContact OD1-NH1 3.63Å
110R77.7Confident88Confident178 Ų17873.9 Ų73.967%0.67237%0.371SS*.  trans-76.6-14.7-177.4-69.1-174.4-178.6-165.72114F105 S108 R112F105-R110 HydrophobicContact CD2-CB 4.05Å; F105-R110 HydrophobicContact CE2-CB 3.81Å; F105-R110 HydrophobicContact CZ-CB 4.41Å; S108-R110 PolarHBondContact O-N 2.93Å; R110-R112 PolarHBondContact O-N 3.39Å
111H84.2Confident88.2Confident36 Ų3671.7 Ų71.717%0.16736%0.357CS..  trans-83110.5178.5179.861.6000110.9D109 C113 C121 V123 H179D109-H111 VanDerWaalsContact C-N 3.3Å; D109-H111 PolarHBondContact O-N 3.45Å; H111-C113 WeakPolarHBondContact NE2-CB 3.46Å; H111-C121 PolarHBondContact NE2-SG 2.96Å; H111-V123 HydrophobicContact CB-CG1 3.73Å; H111-V123 WeakPolarHBondContact ND1-CG1 3.47Å; H111-H179 PolarHBondContact CE1-O 2.73Å
112R83.5Confident88.4Confident216 Ų21669.3 Ų69.382%0.81535%0.345SS*.  trans-94.4104.4167-64.2-178.6-179.2176.80.9108R110 E114R110-R112 PolarHBondContact O-N 3.39Å; R112-E114 PolarHBondContact O-N 2.97Å
113C88.3Confident88.5Confident40 Ų4069.3 Ų69.327%0.2735%0.345SS..  trans-74.9117.7-178.4-167.70000110.3H111 C124H111-C113 WeakPolarHBondContact NE2-CB 3.46Å; C113-C124 VanDerWaalsContact CB-SG 3.54Å
114E86Confident88.6Confident143 Ų14367.9 Ų67.967%0.66834%0.343SS*.  trans-104.83.4175-64.5179.7171.900112.1R112R112-E114 PolarHBondContact O-N 2.97Å
115M85.5Confident88.8Confident45 Ų4565.1 Ų65.122%0.22233%0.327CS..  trans-66.2142.5-179.6-69.1-146.6-59.100111.5S117 P118 C121M115-S117 PolarHBondContact O-N 2.89Å; M115-S117 VanDerWaalsContact O-N 3.17Å; M115-P118 WeakPolarHBondContact O-CD 3.38Å; M115-C121 HydrophobicContact CE-CB 3.31Å
116P87.4Confident89Confident124 Ų12463.8 Ų63.881%0.80532%0.321SS*.SBendtrans-57.3-31.3176.9-25.833.9000114P118P116-P118 WeakPolarHBondContact O-CD 3.37Å
117S91Very high89.1Confident43 Ų4364.1 Ų64.130%0.30132%0.324SS..  trans-119.483.9176.4-83.90000110M115 E119 L120M115-S117 PolarHBondContact O-N 2.89Å; M115-S117 VanDerWaalsContact O-N 3.17Å; S117-E119 VanDerWaalsContact C-OE2 3.3Å; S117-E119 WeakPolarHBondContact CA-OE2 3.41Å; S117-E119 WeakPolarHBondContact CB-OE1 3.49Å; S117-E119 PolarHBondContact O-N 3.14Å; S117-E119 PolarHBondContact OG-OE1 3.43Å; S117-L120 PolarHBondContact O-N 3.05Å
118P90Very high89.3Confident51 Ų5162.7 Ų62.733%0.33132%0.319SS..G310 helixtrans-58.9-28.2179-23.834.4000113.4M115 P116 L120 C121M115-P118 WeakPolarHBondContact O-CD 3.38Å; P116-P118 WeakPolarHBondContact O-CD 3.37Å; P118-L120 PolarHBondContact O-N 3.42Å; P118-C121 WeakPolarHBondContact O-CB 3.48Å; P118-C121 PolarHBondContact O-N 3.25Å
119E90.9Very high89.7Confident129 Ų12959.6 Ų59.660%0.60330%0.298SS*.G310 helixtrans-63-23174.469.7-74.6175.300113.2S117 L149S117-E119 VanDerWaalsContact C-OE2 3.3Å; S117-E119 WeakPolarHBondContact CA-OE2 3.41Å; S117-E119 WeakPolarHBondContact CB-OE1 3.49Å; S117-E119 PolarHBondContact O-N 3.14Å; S117-E119 PolarHBondContact OG-OE1 3.43Å; E119-L149 WeakPolarHBondContact O-CD2 3.5Å
120L93.6Very high90.6Very high55 Ų5555 Ų5529%0.28827%0.273SS..G310 helixtrans-91.40.7174.5-60.2-177.9000112.5S117 P118 L122 L149 I152 H153S117-L120 PolarHBondContact O-N 3.05Å; P118-L120 PolarHBondContact O-N 3.42Å; L120-L122 PolarHBondContact O-N 3.05Å; L120-L149 HydrophobicContact CB-CD2 4.48Å; L120-L149 HydrophobicContact CD2-CD2 4.03Å; L120-I152 HydrophobicContact CD2-CD1 3.77Å; L120-H153 PolarHBondContact O-NE2 3.41Å
121C94.2Very high91.3Very high1 Ų150.6 Ų50.61%0.00726%0.256CS..  trans-77.9108.1-178-171.30000112.5H111 M115 P118 V123 C124 E125H111-C121 PolarHBondContact NE2-SG 2.96Å; M115-C121 HydrophobicContact CE-CB 3.31Å; P118-C121 WeakPolarHBondContact O-CB 3.48Å; P118-C121 PolarHBondContact O-N 3.25Å; C121-V123 PolarHBondContact O-N 3.12Å; C121-V123 PolarHBondContact SG-N 3.01Å; C121-V123 VanDerWaalsContact SG-N 3.45Å; C121-C124 HydrophobicContact CB-CB 3.82Å; C121-C124 PolarHBondContact O-N 2.84Å; C121-C124 VanDerWaalsContact O-N 3.15Å; C121-C124 PolarHBondContact SG-N 3.35Å; C121-C124 VanDerWaalsContact SG-N 3.43Å; C121-E125 PolarHBondContact O-N 2.75Å
122L94.7Very high91.7Very high2 Ų251.6 Ų51.61%0.0126%0.261CS..Hα-helixtrans-57.8-32.2172.5-167.165.2000112.7L120 E125 M126 L146 L149 V150 V175 L176 H179L120-L122 PolarHBondContact O-N 3.05Å; L122-E125 PolarHBondContact O-N 3.19Å; L122-M126 WeakPolarHBondContact O-CB 3.48Å; L122-M126 VanDerWaalsContact O-CG 3.28Å; L122-M126 WeakPolarHBondContact O-CG 3.18Å; L122-M126 PolarHBondContact O-N 3.37Å; L122-L146 HydrophobicContact CD1-CD1 3.45Å; L122-L146 VanDerWaalsContact CD1-CD1 3.45Å; L122-L149 HydrophobicContact CD1-CB 4.09Å; L122-L149 HydrophobicContact CD1-CD1 4.48Å; L122-V150 HydrophobicContact CD1-CG2 4.23Å; L122-V175 HydrophobicContact CB-CG1 3.74Å; L122-V175 HydrophobicContact CD2-CB 3.57Å; L122-V175 HydrophobicContact CD2-CG1 3.39Å; L122-V175 HydrophobicContact CG-CG1 4.18Å; L122-L176 HydrophobicContact CB-CD2 4.26Å; L122-L176 HydrophobicContact CD2-CD2 3.9Å; L122-L176 HydrophobicContact CD2-CG 3.86Å; L122-L176 HydrophobicContact CG-CD2 3.82Å; L122-L176 HydrophobicContact CG-CG 4.35Å; L122-H179 WeakPolarHBondContact CB-ND1 3.41Å; L122-H179 PolarHBondContact N-ND1 3.12Å; L122-H179 VanDerWaalsContact N-ND1 3.19Å
123V94.4Very high92.2Very high0 Ų041.4 Ų41.40%022%0.223CC..Hα-helixtrans-71.3-39178.6-175.80000110.7F106 H111 C121 M126 S127 L176 H179 C180F106-V123 HydrophobicContact CE1-CB 4.45Å; F106-V123 HydrophobicContact CE1-CG1 3.64Å; F106-V123 HydrophobicContact CZ-CG1 4.39Å; H111-V123 HydrophobicContact CB-CG1 3.73Å; H111-V123 WeakPolarHBondContact ND1-CG1 3.47Å; C121-V123 PolarHBondContact O-N 3.12Å; C121-V123 PolarHBondContact SG-N 3.01Å; C121-V123 VanDerWaalsContact SG-N 3.45Å; V123-M126 PolarHBondContact O-N 2.87Å; V123-S127 PolarHBondContact O-N 2.94Å; V123-S127 PolarHBondContact O-OG 2.67Å; V123-L176 HydrophobicContact CG2-CD2 3.87Å; V123-H179 HydrophobicContact CB-CB 4.48Å; V123-H179 HydrophobicContact CG2-CB 3.5Å; V123-H179 VanDerWaalsContact CG2-CB 3.5Å; V123-C180 WeakPolarHBondContact CG2-SG 3.26Å
124C94.2Very high92.4Very high21 Ų2141.1 Ų41.114%0.14222%0.216CC..Hα-helixtrans-63.6-42.7172.1-69.60000112.1C113 C121 S127 S128C113-C124 VanDerWaalsContact CB-SG 3.54Å; C121-C124 HydrophobicContact CB-CB 3.82Å; C121-C124 PolarHBondContact O-N 2.84Å; C121-C124 VanDerWaalsContact O-N 3.15Å; C121-C124 PolarHBondContact SG-N 3.35Å; C121-C124 VanDerWaalsContact SG-N 3.43Å; C124-S127 WeakPolarHBondContact O-CB 3.13Å; C124-S127 PolarHBondContact O-N 2.79Å; C124-S128 PolarHBondContact O-N 3.23Å
125E95Very high92.5Very high22 Ų2236.5 Ų36.510%0.10320%0.2CC..Hα-helixtrans-64.5-43.9176.2179.756.8-14800111.1C121 L122 S127 S128 L129 K145 L146 L149C121-E125 PolarHBondContact O-N 2.75Å; L122-E125 PolarHBondContact O-N 3.19Å; E125-S127 PolarHBondContact O-N 3.01Å; E125-S128 CarbonylContact O-C 3.43Å; E125-S128 WeakPolarHBondContact O-CB 3.44Å; E125-S128 PolarHBondContact O-N 2.75Å; E125-S128 VanDerWaalsContact O-N 3.12Å; E125-L129 WeakPolarHBondContact O-CB 3.46Å; E125-L129 PolarHBondContact O-N 3.29Å; E125-K145 VanDerWaalsContact CD-CB 3.43Å; E125-K145 HydrophobicContact CG-CB 4.29Å; E125-K145 WeakPolarHBondContact OE1-CB 3.46Å; E125-K145 VanDerWaalsContact OE2-CB 3.31Å; E125-K145 WeakPolarHBondContact OE2-CB 3.45Å; E125-K145 WeakPolarHBondContact OE2-CD 3.49Å; E125-L146 HydrophobicContact CG-CB 4.19Å; E125-L146 HydrophobicContact CG-CD1 4.46Å; E125-L149 HydrophobicContact CB-CD1 3.43Å; E125-L149 VanDerWaalsContact CB-CD1 3.43Å; E125-L149 HydrophobicContact CG-CD1 3.85Å
126M95Very high92.5Very high5 Ų536.2 Ų36.23%0.02521%0.209CC..Hα-helixtrans-59.2-47.3173.6-73.2-55.1-65.300111F106 L122 V123 S128 L129 F130 L146 L176F106-M126 HydrophobicContact CD1-CB 4Å; F106-M126 HydrophobicContact CE1-CB 3.45Å; F106-M126 VanDerWaalsContact CE1-CB 3.45Å; F106-M126 HydrophobicContact CE1-CG 4.49Å; F106-M126 HydrophobicContact CE2-CB 4.21Å; F106-M126 HydrophobicContact CZ-CB 3.59Å; F106-M126 HydrophobicContact CZ-CG 4.22Å; L122-M126 WeakPolarHBondContact O-CB 3.48Å; L122-M126 VanDerWaalsContact O-CG 3.28Å; L122-M126 WeakPolarHBondContact O-CG 3.18Å; L122-M126 PolarHBondContact O-N 3.37Å; V123-M126 PolarHBondContact O-N 2.87Å; M126-S128 VanDerWaalsContact C-N 3.27Å; M126-S128 PolarHBondContact O-N 2.75Å; M126-L129 HydrophobicContact CE-CD2 4.28Å; M126-L129 WeakPolarHBondContact O-CB 3.49Å; M126-L129 PolarHBondContact O-N 3.35Å; M126-L129 VanDerWaalsContact O-N 3.11Å; M126-L129 HydrophobicContact SD-CD2 3.99Å; M126-F130 HydrophobicContact CB-CD2 4.49Å; M126-F130 HydrophobicContact CE-CD2 4.13Å; M126-F130 HydrophobicContact CE-CE2 3.59Å; M126-F130 VanDerWaalsContact O-CD2 3.24Å; M126-F130 WeakPolarHBondContact O-CD2 3.38Å; M126-F130 PolarHBondContact O-N 3.06Å; M126-L146 HydrophobicContact SD-CD1 3.92Å; M126-L176 HydrophobicContact CB-CD2 4.48Å; M126-L176 HydrophobicContact CG-CD2 3.75Å
127S93.8Very high92.5Very high8 Ų833.3 Ų33.36%0.05619%0.186CC..Hα-helixtrans-52.9-44.9173-81.60000112.3F106 V123 C124 E125 R131F106-S127 WeakPolarHBondContact CD1-OG 3.29Å; V123-S127 PolarHBondContact O-N 2.94Å; V123-S127 PolarHBondContact O-OG 2.67Å; C124-S127 WeakPolarHBondContact O-CB 3.13Å; C124-S127 PolarHBondContact O-N 2.79Å; E125-S127 PolarHBondContact O-N 3.01Å; S127-R131 WeakPolarHBondContact O-CG 3.38Å; S127-R131 PolarHBondContact O-N 3.39Å
128S93.7Very high92.1Very high35 Ų3535.4 Ų35.425%0.24520%0.199CC..Hα-helixtrans-63-45.3176.7-166.50000112.3C124 E125 M126 R131 E132C124-S128 PolarHBondContact O-N 3.23Å; E125-S128 CarbonylContact O-C 3.43Å; E125-S128 WeakPolarHBondContact O-CB 3.44Å; E125-S128 PolarHBondContact O-N 2.75Å; E125-S128 VanDerWaalsContact O-N 3.12Å; M126-S128 VanDerWaalsContact C-N 3.27Å; M126-S128 PolarHBondContact O-N 2.75Å; S128-R131 PolarHBondContact O-N 2.89Å; S128-E132 WeakPolarHBondContact O-CG 3.25Å; S128-E132 PolarHBondContact O-N 3.01Å
129L94.8Very high92.1Very high0 Ų033.7 Ų33.70%019%0.188CC..Hα-helixtrans-62-45.2178.1-179.662.7000111.7V93 E125 M126 R131 E132 L133 H141 L146V93-L129 HydrophobicContact CG1-CD2 3.71Å; E125-L129 WeakPolarHBondContact O-CB 3.46Å; E125-L129 PolarHBondContact O-N 3.29Å; M126-L129 HydrophobicContact CE-CD2 4.28Å; M126-L129 WeakPolarHBondContact O-CB 3.49Å; M126-L129 PolarHBondContact O-N 3.35Å; M126-L129 VanDerWaalsContact O-N 3.11Å; M126-L129 HydrophobicContact SD-CD2 3.99Å; L129-R131 VanDerWaalsContact C-N 3.35Å; L129-R131 PolarHBondContact O-N 2.86Å; L129-E132 PolarHBondContact O-N 2.82Å; L129-L133 HydrophobicContact CD1-CD1 4.07Å; L129-L133 HydrophobicContact CD1-CG 4.14Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 HydrophobicContact CG-CG 4.4Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.49Å; L129-L133 PolarHBondContact O-N 3.19Å; L129-H141 WeakPolarHBondContact CD1-CD2 3.21Å; L129-H141 VanDerWaalsContact CD1-NE2 3.34Å; L129-H141 WeakPolarHBondContact CD1-NE2 3.41Å; L129-L146 HydrophobicContact CD2-CD2 3.88Å
130F94.6Very high92.2Very high0 Ų027.6 Ų27.60%016%0.16CC..Hα-helixtrans-58.5-45.5174.3-89.4-90.6000111.1T97 L102 R103 F106 L107 M126 E132 L133 Y134T97-F130 VanDerWaalsContact CA-CE1 3.45Å; T97-F130 VanDerWaalsContact CA-CZ 3.48Å; T97-F130 HydrophobicContact CG2-CD2 4.48Å; T97-F130 HydrophobicContact CG2-CE1 4.22Å; T97-F130 HydrophobicContact CG2-CE2 4.18Å; T97-F130 HydrophobicContact CG2-CZ 4.07Å; T97-F130 WeakPolarHBondContact O-CE1 3.35Å; L102-F130 HydrophobicContact CD2-CZ 4.38Å; L102-F130 HydrophobicContact CG-CZ 4.21Å; R103-F130 HydrophobicContact CB-CD1 4.21Å; R103-F130 HydrophobicContact CB-CE1 3.71Å; R103-F130 HydrophobicContact CG-CD1 4.12Å; R103-F130 HydrophobicContact CG-CE1 4.11Å; F106-F130 HydrophobicContact CB-CB 4Å; F106-F130 HydrophobicContact CB-CD1 4.22Å; F106-F130 HydrophobicContact CB-CD2 3.58Å; F106-F130 HydrophobicContact CB-CE2 4.02Å; F106-F130 HydrophobicContact CB-CG 3.68Å; F106-F130 HydrophobicContact CB-CZ 4.48Å; F106-F130 HydrophobicContact CD1-CD2 4.44Å; F106-F130 AromaticContact CD2-CD2 3.61Å; F106-F130 HydrophobicContact CD2-CD2 3.61Å; F106-F130 HydrophobicContact CD2-CE1 4.49Å; F106-F130 AromaticContact CD2-CE2 3.17Å; F106-F130 HydrophobicContact CD2-CE2 3.17Å; F106-F130 HydrophobicContact CD2-CG 4.43Å; F106-F130 AromaticContact CD2-CZ 3.67Å; F106-F130 HydrophobicContact CD2-CZ 3.67Å; F106-F130 HydrophobicContact CE2-CD2 4.38Å; F106-F130 AromaticContact CE2-CE2 3.72Å; F106-F130 HydrophobicContact CE2-CE2 3.72Å; F106-F130 HydrophobicContact CE2-CZ 4.35Å; F106-F130 AromaticContact CG-CD2 3.65Å; F106-F130 HydrophobicContact CG-CD2 3.65Å; F106-F130 AromaticContact CG-CE2 3.74Å; F106-F130 HydrophobicContact CG-CE2 3.74Å; F106-F130 HydrophobicContact CG-CG 4.27Å; F106-F130 HydrophobicContact CG-CZ 4.43Å; L107-F130 HydrophobicContact CD2-CB 3.92Å; L107-F130 HydrophobicContact CG-CB 4.43Å; M126-F130 HydrophobicContact CB-CD2 4.49Å; M126-F130 HydrophobicContact CE-CD2 4.13Å; M126-F130 HydrophobicContact CE-CE2 3.59Å; M126-F130 VanDerWaalsContact O-CD2 3.24Å; M126-F130 WeakPolarHBondContact O-CD2 3.38Å; M126-F130 PolarHBondContact O-N 3.06Å; F130-E132 VanDerWaalsContact C-N 3.32Å; F130-E132 PolarHBondContact O-N 3.49Å; F130-L133 PolarHBondContact O-N 3.3Å; F130-Y134 HydrophobicContact CD1-CD2 4.32Å; F130-Y134 HydrophobicContact CD1-CE2 4.08Å; F130-Y134 WeakPolarHBondContact O-CB 3.19Å; F130-Y134 VanDerWaalsContact O-CD2 3.31Å; F130-Y134 WeakPolarHBondContact O-CD2 3.48Å; F130-Y134 PolarHBondContact O-N 3.01Å
131R92.8Very high92.3Very high87 Ų8726.2 Ų26.233%0.32815%0.152SC..Hα-helixtrans-60.1-42.3175.1-71.6-171.2-56.6-103.3-2112.2L107 D109 S127 S128 L129 Y134 S135L107-R131 HydrophobicContact CD2-CG 4.3Å; D109-R131 IonicContact OD1-NH1 3.63Å; S127-R131 WeakPolarHBondContact O-CG 3.38Å; S127-R131 PolarHBondContact O-N 3.39Å; S128-R131 PolarHBondContact O-N 2.89Å; L129-R131 VanDerWaalsContact C-N 3.35Å; L129-R131 PolarHBondContact O-N 2.86Å; R131-Y134 CarbonylContact O-C 3.45Å; R131-Y134 PolarHBondContact O-N 3.07Å; R131-S135 WeakPolarHBondContact O-CA 3.38Å; R131-S135 WeakPolarHBondContact O-CB 3.38Å; R131-S135 PolarHBondContact O-N 3.3Å
132E93.3Very high92.4Very high56 Ų5627 Ų2726%0.26216%0.156SC..Hα-helixtrans-64.5-44.2178.4-80.1-61.3140.400112.8R78 S128 L129 F130 S135R78-E132 PolarHBondContact NH1-O 3.2Å; R78-E132 IonicContact NH1-OE2 2.95Å; R78-E132 PolarHBondContact NH1-OE2 2.66Å; S128-E132 WeakPolarHBondContact O-CG 3.25Å; S128-E132 PolarHBondContact O-N 3.01Å; L129-E132 PolarHBondContact O-N 2.82Å; F130-E132 VanDerWaalsContact C-N 3.32Å; F130-E132 PolarHBondContact O-N 3.49Å; E132-S135 WeakPolarHBondContact O-CB 3.35Å; E132-S135 PolarHBondContact O-N 3.23Å; E132-S135 PolarHBondContact O-OG 3.29Å
133L92.9Very high92.3Very high3 Ų326.9 Ų26.92%0.01616%0.156CC..Hα-helixtrans-69.8-32.8179.3-63.7172.5000112.2G76 R78 L80 V93 T97 L129 F130 H141G76-L133 WeakPolarHBondContact CA-O 3.21Å; G76-L133 PolarHBondContact N-O 2.86Å; R78-L133 HydrophobicContact CB-CD2 3.74Å; R78-L133 HydrophobicContact CG-CD2 4.1Å; L80-L133 HydrophobicContact CD2-CD2 3.92Å; V93-L133 HydrophobicContact CG1-CD1 4.48Å; T97-L133 HydrophobicContact CG2-CD1 3.36Å; L129-L133 HydrophobicContact CD1-CD1 4.07Å; L129-L133 HydrophobicContact CD1-CG 4.14Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 HydrophobicContact CG-CG 4.4Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.49Å; L129-L133 PolarHBondContact O-N 3.19Å; F130-L133 PolarHBondContact O-N 3.3Å; L133-H141 HydrophobicContact CD2-CB 4.14Å
134Y92Very high92.3Very high33 Ų3329.7 Ų29.713%0.12917%0.167CC..Hα-helixtrans-95.93.6178.8-73.7-92.2000114.1I75 T97 R103 L107 F130 R131 G136I75-Y134 HydrophobicContact CG2-CD1 3.75Å; I75-Y134 HydrophobicContact CG2-CG 4.35Å; I75-Y134 WeakPolarHBondContact CG2-O 3.3Å; T97-Y134 PolarHBondContact O-OH 3Å; T97-Y134 VanDerWaalsContact O-OH 3.11Å; R103-Y134 WeakPolarHBondContact CD-OH 3.31Å; R103-Y134 HydrophobicContact CG-CE1 4.31Å; R103-Y134 HydrophobicContact CG-CE2 3.91Å; L107-Y134 HydrophobicContact CD1-CD1 4.37Å; L107-Y134 HydrophobicContact CD1-CD2 4.28Å; L107-Y134 HydrophobicContact CD1-CG 4.03Å; F130-Y134 HydrophobicContact CD1-CD2 4.32Å; F130-Y134 HydrophobicContact CD1-CE2 4.08Å; F130-Y134 WeakPolarHBondContact O-CB 3.19Å; F130-Y134 VanDerWaalsContact O-CD2 3.31Å; F130-Y134 WeakPolarHBondContact O-CD2 3.48Å; F130-Y134 PolarHBondContact O-N 3.01Å; R131-Y134 CarbonylContact O-C 3.45Å; R131-Y134 PolarHBondContact O-N 3.07Å; Y134-G136 PolarHBondContact O-N 2.75Å
135S89.8Confident92.3Very high46 Ų4633.5 Ų33.532%0.32218%0.181SC..SBendtrans-61-27.2177.564.70000113.1R67 R131 E132 N137R67-S135 PolarHBondContact NH2-O 3.02Å; R131-S135 WeakPolarHBondContact O-CA 3.38Å; R131-S135 WeakPolarHBondContact O-CB 3.38Å; R131-S135 PolarHBondContact O-N 3.3Å; E132-S135 WeakPolarHBondContact O-CB 3.35Å; E132-S135 PolarHBondContact O-N 3.23Å; E132-S135 PolarHBondContact O-OG 3.29Å; S135-N137 WeakPolarHBondContact OG-CB 3.29Å; S135-N137 PolarHBondContact OG-N 3.31Å
136G85.3Confident92.3Very high40 Ų4032.6 Ų32.641%0.41218%0.177SC..  trans91.64.7-171.900000113.6Y134 P138Y134-G136 PolarHBondContact O-N 2.75Å; G136-P138 WeakPolarHBondContact O-CD 3.43Å
137N85.9Confident92.2Very high62 Ų6232.7 Ų32.733%0.33218%0.177SC..  trans-73.3122171.3-175-13.3000110.3R78 S135 S139R78-N137 WeakPolarHBondContact CD-O 3.48Å; R78-N137 PolarHBondContact NE-O 3.26Å; S135-N137 WeakPolarHBondContact OG-CB 3.29Å; S135-N137 PolarHBondContact OG-N 3.31Å; N137-S139 VanDerWaalsContact CG-OG 3.22Å; N137-S139 PolarHBondContact ND2-OG 2.97Å; N137-S139 WeakPolarHBondContact OD1-CB 3.49Å; N137-S139 PolarHBondContact OD1-N 2.75Å; N137-S139 PolarHBondContact OD1-OG 3.47Å
138P84Confident92.1Very high87 Ų8734.9 Ų34.957%0.56519%0.187SC*.  trans-79.3-19.3-178.132.2-36.2000113.9G136G136-P138 WeakPolarHBondContact O-CD 3.43Å
139S89.5Confident92.2Very high16 Ų1633.6 Ų33.611%0.11218%0.177CC..SBendtrans-60.3143.3-177.860.10000111R78 N137 H141R78-S139 WeakPolarHBondContact CG-O 3.5Å; R78-S139 PolarHBondContact NE-O 3.38Å; R78-S139 PolarHBondContact NH2-O 2.99Å; R78-S139 PolarHBondContact NH2-OG 3.36Å; N137-S139 VanDerWaalsContact CG-OG 3.22Å; N137-S139 PolarHBondContact ND2-OG 2.97Å; N137-S139 WeakPolarHBondContact OD1-CB 3.49Å; N137-S139 PolarHBondContact OD1-N 2.75Å; N137-S139 PolarHBondContact OD1-OG 3.47Å; S139-H141 PolarHBondContact O-N 2.95Å
140P93.4Very high92.1Very high0 Ų033.7 Ų33.70%018%0.178CC..PPolyproline II helixtrans-54.7139.6174.9-27.436.5000112.1A22 G79 I81 A398A22-P140 HydrophobicContact CB-CB 4.41Å; A22-P140 HydrophobicContact CB-CG 3.98Å; G79-P140 CarbonylContact O-C 3.4Å; G79-P140 VanDerWaalsContact O-CA 3.27Å; G79-P140 WeakPolarHBondContact O-CA 3.28Å; I81-P140 HydrophobicContact CD1-CB 3.41Å; I81-P140 VanDerWaalsContact CD1-CB 3.41Å; I81-P140 HydrophobicContact CD1-CG 4.19Å; I81-P140 HydrophobicContact CG1-CB 3.92Å; P140-A398 HydrophobicContact CB-CB 3.98Å; P140-A398 HydrophobicContact CG-CB 3.93Å
141H94.8Very high92Very high26 Ų2635.8 Ų35.812%0.1219%0.186CC..BIsolated β-bridgetrans-89.7147.3176.8-179.277.1000110.4R78 G79 L80 I81 L129 L133 S139 P143R78-H141 HydrophobicContact CG-CB 4.31Å; G79-H141 PolarHBondContact O-N 3.34Å; L80-H141 WeakPolarHBondContact CA-O 3.14Å; L80-H141 HydrophobicContact CD2-CB 4.1Å; I81-H141 PolarHBondContact N-O 2.88Å; L129-H141 WeakPolarHBondContact CD1-CD2 3.21Å; L129-H141 VanDerWaalsContact CD1-NE2 3.34Å; L129-H141 WeakPolarHBondContact CD1-NE2 3.41Å; L133-H141 HydrophobicContact CD2-CB 4.14Å; S139-H141 PolarHBondContact O-N 2.95Å; H141-P143 WeakPolarHBondContact O-CD 3.45Å
142V95.8Very high92Very high17 Ų1734.2 Ų34.210%0.10318%0.183CC..  trans-110.799.4-178.8-163.30000110.4A15 Q19 I81 L83 Y144A15-V142 HydrophobicContact CB-CB 4.38Å; A15-V142 HydrophobicContact CB-CG1 3.35Å; Q19-V142 HydrophobicContact CB-CG2 4.06Å; Q19-V142 HydrophobicContact CG-CG2 4.26Å; I81-V142 HydrophobicContact CB-CG1 4.23Å; I81-V142 HydrophobicContact CB-CG2 4.25Å; I81-V142 HydrophobicContact CG1-CG2 3.79Å; I81-V142 HydrophobicContact CG2-CG1 4.41Å; L83-V142 HydrophobicContact CD1-CG1 4.36Å; L83-V142 HydrophobicContact CD2-CG1 3.61Å; L83-V142 HydrophobicContact CG-CG1 4.34Å; V142-Y144 PolarHBondContact O-N 3.29Å
143P94.1Very high91.9Very high0 Ų034 Ų340%018%0.182CC..  trans-82.545.4-170.535-38000113.3L80 M89 H141 K145 L146 L147L80-P143 HydrophobicContact CD2-CG 4.48Å; M89-P143 HydrophobicContact CE-CB 4.16Å; M89-P143 HydrophobicContact CE-CG 3.66Å; H141-P143 WeakPolarHBondContact O-CD 3.45Å; P143-K145 PolarHBondContact O-N 2.84Å; P143-L146 HydrophobicContact CB-CB 4.32Å; P143-L146 PolarHBondContact O-N 3.24Å; P143-L147 PolarHBondContact O-N 3.38Å; P143-L147 VanDerWaalsContact O-N 3.08Å
144Y94Very high91.9Very high60 Ų6034.1 Ų34.124%0.23518%0.183CC..Hα-helixtrans-68.4-35.8-174.174.5-91.3000113.2I11 E12 V142 L147 H148I11-Y144 HydrophobicContact CG2-CD2 4.5Å; E12-Y144 HydrophobicContact CG-CE2 4.31Å; V142-Y144 PolarHBondContact O-N 3.29Å; Y144-L147 PolarHBondContact O-N 3.29Å; Y144-H148 WeakPolarHBondContact O-CB 3.05Å; Y144-H148 PolarHBondContact O-N 3.45Å
145K93.9Very high91.7Very high100 Ų10042.3 Ų42.344%0.43521%0.214SC..Hα-helixtrans-65.3-44.7176.7-67.4-173.5-178-179.50110.9E125 P143 L147 H148 L149E125-K145 VanDerWaalsContact CD-CB 3.43Å; E125-K145 HydrophobicContact CG-CB 4.29Å; E125-K145 WeakPolarHBondContact OE1-CB 3.46Å; E125-K145 VanDerWaalsContact OE2-CB 3.31Å; E125-K145 WeakPolarHBondContact OE2-CB 3.45Å; E125-K145 WeakPolarHBondContact OE2-CD 3.49Å; P143-K145 PolarHBondContact O-N 2.84Å; K145-L147 PolarHBondContact O-N 3.07Å; K145-H148 PolarHBondContact O-N 2.82Å; K145-L149 WeakPolarHBondContact O-CG 3.16Å; K145-L149 PolarHBondContact O-N 3.31Å
146L95Very high91.6Very high4 Ų445.6 Ų45.62%0.02122%0.224CC..Hα-helixtrans-56.4-49.8174.1178.266.7000111.2M89 V93 L122 E125 M126 L129 P143 H148 L149 V150M89-L146 HydrophobicContact CG-CD2 4.32Å; M89-L146 HydrophobicContact SD-CD2 4.03Å; M89-L146 HydrophobicContact SD-CG 4.18Å; V93-L146 HydrophobicContact CG2-CD2 3.34Å; L122-L146 HydrophobicContact CD1-CD1 3.45Å; L122-L146 VanDerWaalsContact CD1-CD1 3.45Å; E125-L146 HydrophobicContact CG-CB 4.19Å; E125-L146 HydrophobicContact CG-CD1 4.46Å; M126-L146 HydrophobicContact SD-CD1 3.92Å; L129-L146 HydrophobicContact CD2-CD2 3.88Å; P143-L146 HydrophobicContact CB-CB 4.32Å; P143-L146 PolarHBondContact O-N 3.24Å; L146-H148 VanDerWaalsContact C-N 3.34Å; L146-H148 PolarHBondContact O-N 3.48Å; L146-L149 PolarHBondContact O-N 3.43Å; L146-V150 HydrophobicContact CD1-CG2 4.26Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 3.49Å
147L93.1Very high91.6Very high6 Ų643.8 Ų43.83%0.03121%0.205CC..Hα-helixtrans-56-49.5178.3-17964.1000111.5L83 T86 M89 P143 Y144 K145 L149 V150 W151L83-L147 HydrophobicContact CB-CD2 4.07Å; L83-L147 HydrophobicContact CD1-CD2 3.97Å; T86-L147 HydrophobicContact CG2-CD1 4.08Å; T86-L147 HydrophobicContact CG2-CD2 4.02Å; M89-L147 HydrophobicContact CE-CB 4.11Å; M89-L147 HydrophobicContact CE-CD1 4.33Å; M89-L147 HydrophobicContact SD-CB 4.14Å; M89-L147 HydrophobicContact SD-CD1 4.09Å; P143-L147 PolarHBondContact O-N 3.38Å; P143-L147 VanDerWaalsContact O-N 3.08Å; Y144-L147 PolarHBondContact O-N 3.29Å; K145-L147 PolarHBondContact O-N 3.07Å; L147-L149 PolarHBondContact O-N 2.95Å; L147-V150 PolarHBondContact O-N 3.03Å; L147-W151 HydrophobicContact CD1-CD2 4.46Å; L147-W151 HydrophobicContact CD1-CZ2 3.92Å; L147-W151 HydrophobicContact CD2-CH2 4.31Å; L147-W151 HydrophobicContact CD2-CZ2 4.11Å; L147-W151 HydrophobicContact CG-CD2 4.37Å; L147-W151 HydrophobicContact CG-CZ2 4.05Å; L147-W151 PolarHBondContact O-N 3.5Å
148H92.5Very high91.5Very high55 Ų5543.1 Ų43.126%0.25521%0.208SC..Hα-helixtrans-59.2-45.5178.7177.371.9000112.3Y144 K145 L146 W151 I152Y144-H148 WeakPolarHBondContact O-CB 3.05Å; Y144-H148 PolarHBondContact O-N 3.45Å; K145-H148 PolarHBondContact O-N 2.82Å; L146-H148 VanDerWaalsContact C-N 3.34Å; L146-H148 PolarHBondContact O-N 3.48Å; H148-W151 PolarHBondContact O-N 3.41Å; H148-I152 VanDerWaalsContact NE2-CD1 3.29Å; H148-I152 WeakPolarHBondContact NE2-CD1 3.32Å; H148-I152 WeakPolarHBondContact O-CG1 3.28Å; H148-I152 PolarHBondContact O-N 2.92Å; H148-I152 VanDerWaalsContact O-N 3.07Å
149L94.5Very high91.5Very high7 Ų740.2 Ų40.24%0.03719%0.194CC..Hα-helixtrans-64.9-41.4178.3-71.2-178.2000112.6E119 L120 L122 E125 K145 L146 L147 W151 I152 H153E119-L149 WeakPolarHBondContact O-CD2 3.5Å; L120-L149 HydrophobicContact CB-CD2 4.48Å; L120-L149 HydrophobicContact CD2-CD2 4.03Å; L122-L149 HydrophobicContact CD1-CB 4.09Å; L122-L149 HydrophobicContact CD1-CD1 4.48Å; E125-L149 HydrophobicContact CB-CD1 3.43Å; E125-L149 VanDerWaalsContact CB-CD1 3.43Å; E125-L149 HydrophobicContact CG-CD1 3.85Å; K145-L149 WeakPolarHBondContact O-CG 3.16Å; K145-L149 PolarHBondContact O-N 3.31Å; L146-L149 PolarHBondContact O-N 3.43Å; L147-L149 PolarHBondContact O-N 2.95Å; L149-W151 VanDerWaalsContact C-N 3.31Å; L149-W151 PolarHBondContact O-N 3.43Å; L149-I152 PolarHBondContact O-N 2.87Å; L149-H153 PolarHBondContact O-CD2 2.97Å; L149-H153 PolarHBondContact O-N 2.94Å
150V92.5Very high91Very high3 Ų346.3 Ų46.32%0.01822%0.216CC..Hα-helixtrans-62.5-41.6176.1173.70000110.4L122 L146 L147 I152 H153 A154 L157 F168L122-V150 HydrophobicContact CD1-CG2 4.23Å; L146-V150 HydrophobicContact CD1-CG2 4.26Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 3.49Å; L147-V150 PolarHBondContact O-N 3.03Å; V150-I152 VanDerWaalsContact C-N 3.31Å; V150-I152 PolarHBondContact O-N 2.68Å; V150-H153 PolarHBondContact O-N 3.33Å; V150-A154 HydrophobicContact CG1-CB 4.26Å; V150-A154 WeakPolarHBondContact O-CA 3.38Å; V150-A154 WeakPolarHBondContact O-CB 3.27Å; V150-A154 PolarHBondContact O-N 3.35Å; V150-L157 HydrophobicContact CG1-CD1 4.12Å; V150-F168 HydrophobicContact CB-CE2 4.15Å; V150-F168 HydrophobicContact CG1-CD2 4.04Å; V150-F168 HydrophobicContact CG1-CE2 3.69Å; V150-F168 HydrophobicContact CG2-CE2 3.82Å; V150-F168 HydrophobicContact CG2-CZ 4.13Å
151W92.3Very high90.3Very high43 Ų4356.2 Ų56.216%0.16325%0.253CS..Hα-helixtrans-63.3-34.8176.5-72.1-1000113.6I11 L147 H148 L149 L157 A158 G159 Y160I11-W151 HydrophobicContact CD1-CZ3 4.34Å; L147-W151 HydrophobicContact CD1-CD2 4.46Å; L147-W151 HydrophobicContact CD1-CZ2 3.92Å; L147-W151 HydrophobicContact CD2-CH2 4.31Å; L147-W151 HydrophobicContact CD2-CZ2 4.11Å; L147-W151 HydrophobicContact CG-CD2 4.37Å; L147-W151 HydrophobicContact CG-CZ2 4.05Å; L147-W151 PolarHBondContact O-N 3.5Å; H148-W151 PolarHBondContact O-N 3.41Å; L149-W151 VanDerWaalsContact C-N 3.31Å; L149-W151 PolarHBondContact O-N 3.43Å; W151-L157 PolarHBondContact NE1-O 3.04Å; W151-A158 HydrophobicContact CB-CB 3.82Å; W151-A158 HydrophobicContact CD2-CB 4.44Å; W151-A158 HydrophobicContact CG-CB 3.9Å; W151-G159 WeakPolarHBondContact CZ2-O 3.23Å; W151-Y160 HydrophobicContact CH2-CD1 4.14Å; W151-Y160 AromaticContact CH2-CE1 3.97Å; W151-Y160 HydrophobicContact CH2-CE1 3.97Å
152I92.9Very high89.6Confident55 Ų5558.2 Ų58.228%0.28226%0.262SS..Hα-helixtrans-65.7-48.8174.9-72.4173.8000110.8L120 H148 L149 V150L120-I152 HydrophobicContact CD2-CD1 3.77Å; H148-I152 VanDerWaalsContact NE2-CD1 3.29Å; H148-I152 WeakPolarHBondContact NE2-CD1 3.32Å; H148-I152 WeakPolarHBondContact O-CG1 3.28Å; H148-I152 PolarHBondContact O-N 2.92Å; H148-I152 VanDerWaalsContact O-N 3.07Å; L149-I152 PolarHBondContact O-N 2.87Å; V150-I152 VanDerWaalsContact C-N 3.31Å; V150-I152 PolarHBondContact O-N 2.68Å
153H92.6Very high89.2Confident51 Ų5159.1 Ų59.124%0.23627%0.266CS..Hα-helixtrans-86.6-24.8-171.2-68.5-65000114.3L120 L149 V150 V175 H179L120-H153 PolarHBondContact O-NE2 3.41Å; L149-H153 PolarHBondContact O-CD2 2.97Å; L149-H153 PolarHBondContact O-N 2.94Å; V150-H153 PolarHBondContact O-N 3.33Å; H153-V175 HydrophobicContact CB-CB 4.48Å; H153-V175 HydrophobicContact CB-CG1 3.82Å; H153-V175 HydrophobicContact CB-CG2 3.7Å; H153-H179 AromaticContact CD2-CE1 3.76Å; H153-H179 AromaticContact CE1-CE1 3.51Å; H153-H179 AromaticContact CE1-NE2 3.6Å; H153-H179 AromaticContact ND1-CE1 3.9Å; H153-H179 AromaticContact ND1-NE2 3.84Å; H153-H179 AromaticContact NE2-CE1 3.43Å; H153-H179 PolarHBondContact NE2-CE1 3.23Å; H153-H179 AromaticContact NE2-NE2 4Å
154A91.6Very high89.1Confident5 Ų561 Ų614%0.04128%0.275CS..  trans-12670.2179.300000109.6V150 H156 L157 A171V150-A154 HydrophobicContact CG1-CB 4.26Å; V150-A154 WeakPolarHBondContact O-CA 3.38Å; V150-A154 WeakPolarHBondContact O-CB 3.27Å; V150-A154 PolarHBondContact O-N 3.35Å; A154-H156 PolarHBondContact O-N 2.83Å; A154-L157 HydrophobicContact CB-CD1 3.99Å; A154-L157 HydrophobicContact CB-CG 4.36Å; A154-L157 WeakPolarHBondContact O-CB 3.41Å; A154-L157 PolarHBondContact O-N 2.93Å; A154-A171 HydrophobicContact CB-CB 4.01Å
155R88Confident89.2Confident206 Ų20658.1 Ų58.178%0.77726%0.264SS*.G310 helixtrans-54.9-25.5-173.9-66.7-176176.9177.4-1.8115.2L157 A158R155-L157 PolarHBondContact O-N 3.13Å; R155-A158 WeakPolarHBondContact O-CB 3Å; R155-A158 PolarHBondContact O-N 2.96Å
156H87.5Confident89.2Confident115 Ų11554.8 Ų54.853%0.53225%0.25SS..G310 helixtrans-68.1-24.2176.260.1-83.7000112.6A154 E167A154-H156 PolarHBondContact O-N 2.83Å; H156-E167 IonicContact CD2-OE1 3.6Å; H156-E167 PolarHBondContact CD2-OE1 2.87Å; H156-E167 VanDerWaalsContact CD2-OE1 3.3Å; H156-E167 IonicContact NE2-OE1 2.93Å
157L86.9Confident89.2Confident1 Ų158.5 Ų58.51%0.00527%0.268CS..G310 helixtrans-88.4-8.4174.3-61.6176000113.1V150 W151 A154 R155 Q163 E167 F168 A171V150-L157 HydrophobicContact CG1-CD1 4.12Å; W151-L157 PolarHBondContact NE1-O 3.04Å; A154-L157 HydrophobicContact CB-CD1 3.99Å; A154-L157 HydrophobicContact CB-CG 4.36Å; A154-L157 WeakPolarHBondContact O-CB 3.41Å; A154-L157 PolarHBondContact O-N 2.93Å; R155-L157 PolarHBondContact O-N 3.13Å; L157-Q163 HydrophobicContact CD2-CB 4.23Å; L157-Q163 HydrophobicContact CD2-CG 4.21Å; L157-Q163 PolarHBondContact O-NE2 3.09Å; L157-Q163 VanDerWaalsContact O-NE2 3.14Å; L157-E167 HydrophobicContact CD2-CB 4.46Å; L157-E167 HydrophobicContact CD2-CG 3.98Å; L157-F168 HydrophobicContact CD1-CB 4.4Å; L157-F168 HydrophobicContact CD1-CD2 4.16Å; L157-A171 HydrophobicContact CD1-CB 3.58Å
158A83.7Confident89.4Confident48 Ų4858.5 Ų58.540%0.39727%0.267SS..  trans-69.7133.2-175.800000112.2W151 R155W151-A158 HydrophobicContact CB-CB 3.82Å; W151-A158 HydrophobicContact CD2-CB 4.44Å; W151-A158 HydrophobicContact CG-CB 3.9Å; R155-A158 WeakPolarHBondContact O-CB 3Å; R155-A158 PolarHBondContact O-N 2.96Å
159G82.8Confident89.6Confident27 Ų2756 Ų5628%0.27826%0.256SS..SBendtrans122.5171.9176.700000113.5W151 R161W151-G159 WeakPolarHBondContact CZ2-O 3.23Å; G159-R161 PolarHBondContact O-N 2.85Å
160Y78.2Confident89.7Confident143 Ų14357.9 Ų57.956%0.56127%0.266SS*.SBendtrans-85.211.7-173.1-52.4-83000114.2N85 W151N85-Y160 PolarHBondContact ND2-O 3.33Å; W151-Y160 HydrophobicContact CH2-CD1 4.14Å; W151-Y160 AromaticContact CH2-CE1 3.97Å; W151-Y160 HydrophobicContact CH2-CE1 3.97Å
161R79.7Confident89.8Confident208 Ų20858.3 Ų58.379%0.78527%0.269SS*.SBendtrans-81.5155.8179.6-67.5-173.3179.2-176.50.3110G159G159-R161 PolarHBondContact O-N 2.85Å
162Q80.8Confident90Very high68 Ų6856.5 Ų56.532%0.31826%0.263SS..  trans-63140.9169.3-67176.5-9.800109.6N85 E377N85-Q162 HydrophobicContact CB-CG 4.1Å; Q162-E377 VanDerWaalsContact OE1-C 3.29Å; Q162-E377 PolarHBondContact OE1-O 3.45Å
163Q87.7Confident90.2Very high36 Ų3653.9 Ų53.917%0.16825%0.25CC..  trans-127.8159.7179.6-56.1-65.96.500109.8F88 L157F88-Q163 HydrophobicContact CD1-CB 4.04Å; F88-Q163 HydrophobicContact CD2-CB 4.13Å; F88-Q163 HydrophobicContact CE1-CB 3.72Å; F88-Q163 HydrophobicContact CE1-CG 3.94Å; F88-Q163 HydrophobicContact CE2-CB 3.85Å; F88-Q163 HydrophobicContact CE2-CG 4.34Å; F88-Q163 HydrophobicContact CG-CB 4.24Å; F88-Q163 HydrophobicContact CZ-CB 3.65Å; F88-Q163 HydrophobicContact CZ-CG 3.76Å; L157-Q163 HydrophobicContact CD2-CB 4.23Å; L157-Q163 HydrophobicContact CD2-CG 4.21Å; L157-Q163 PolarHBondContact O-NE2 3.09Å; L157-Q163 VanDerWaalsContact O-NE2 3.14Å
164D91.4Very high90.2Very high39 Ų3954.3 Ų54.321%0.20925%0.254CS..  trans-78.6128.6174.9-165.2-29.8000110.7H166 E167 F168 Y381 Y414D164-H166 PolarHBondContact O-N 3.49Å; D164-H166 WeakPolarHBondContact OD1-CB 3.43Å; D164-H166 PolarHBondContact OD1-N 3.36Å; D164-E167 HydrophobicContact CB-CB 4Å; D164-E167 PolarHBondContact O-N 3.06Å; D164-F168 PolarHBondContact O-N 3.17Å; D164-Y381 PolarHBondContact OD1-OH 3.37Å; D164-Y414 WeakPolarHBondContact OD1-CE1 3.39Å; D164-Y414 PolarHBondContact OD1-OH 2.72Å; D164-Y414 PolarHBondContact OD2-OH 2.92Å
165A95.1Very high90.3Very high0 Ų054.1 Ų54.10%025%0.252CS..Hα-helixtrans-59.5-32.8173.800000113F88 I92 L169 Y381 Y414 L415F88-A165 HydrophobicContact CB-CB 3.92Å; I92-A165 HydrophobicContact CD1-CB 4.26Å; I92-A165 HydrophobicContact CG1-CB 4.21Å; I92-A165 WeakPolarHBondContact CG1-O 3.32Å; A165-L169 WeakPolarHBondContact O-CB 3.38Å; A165-L169 PolarHBondContact O-N 3.17Å; A165-Y381 HydrophobicContact CB-CD1 3.8Å; A165-Y381 HydrophobicContact CB-CE1 3.46Å; A165-Y381 VanDerWaalsContact CB-CE1 3.46Å; A165-Y381 HydrophobicContact CB-CE2 4.36Å; A165-Y381 HydrophobicContact CB-CG 4.36Å; A165-Y381 PolarHBondContact N-OH 3.36Å; A165-Y414 HydrophobicContact CB-CE1 4.34Å; A165-L415 HydrophobicContact CB-CD1 4.24Å
166H95.2Very high90.6Very high30 Ų3044.4 Ų44.414%0.13922%0.216CC..Hα-helixtrans-66.1-47.4174.4178.9-111.2000111D164 F168 L169 I170 D228 H309 Y414 L415D164-H166 PolarHBondContact O-N 3.49Å; D164-H166 WeakPolarHBondContact OD1-CB 3.43Å; D164-H166 PolarHBondContact OD1-N 3.36Å; H166-F168 VanDerWaalsContact C-N 3.32Å; H166-F168 PolarHBondContact O-N 2.92Å; H166-L169 WeakPolarHBondContact O-CB 3.34Å; H166-L169 PolarHBondContact O-N 2.79Å; H166-L169 VanDerWaalsContact O-N 3.13Å; H166-I170 WeakPolarHBondContact O-CG1 3.42Å; H166-I170 PolarHBondContact O-N 2.89Å; H166-D228 IonicContact CD2-OD2 2.84Å; H166-D228 IonicContact CE1-OD2 2.73Å; H166-D228 VanDerWaalsContact NE2-CG 3.29Å; H166-D228 IonicContact NE2-OD1 2.96Å; H166-D228 IonicContact NE2-OD2 3.74Å; H166-D228 PolarHBondContact NE2-OD2 3.49Å; H166-H309 AromaticContact CD2-CG 3.51Å; H166-H309 AromaticContact CD2-ND1 3.53Å; H166-H309 AromaticContact CE1-CE1 3.96Å; H166-H309 AromaticContact CE1-ND1 3.47Å; H166-H309 PolarHBondContact CE1-ND1 2.87Å; H166-H309 AromaticContact CG-CE1 3.72Å; H166-H309 AromaticContact CG-CG 3.75Å; H166-H309 AromaticContact CG-ND1 3.53Å; H166-H309 AromaticContact ND1-CE1 3.59Å; H166-H309 AromaticContact ND1-ND1 3.5Å; H166-H309 AromaticContact NE2-CG 3.82Å; H166-H309 AromaticContact NE2-ND1 3.46Å; H166-H309 PolarHBondContact NE2-ND1 3.05Å; H166-Y414 HydrophobicContact CB-CE1 4.3Å; H166-Y414 VanDerWaalsContact CB-OH 3.3Å; H166-Y414 WeakPolarHBondContact CB-OH 3.06Å; H166-L415 HydrophobicContact CB-CD2 4.11Å
167E94.6Very high90.9Very high83 Ų8339.9 Ų39.939%0.38820%0.195SC..Hα-helixtrans-61.2-42.3178-168.6177.3-158.700111.3H156 L157 D164 L169 I170 A171H156-E167 IonicContact CD2-OE1 3.6Å; H156-E167 PolarHBondContact CD2-OE1 2.87Å; H156-E167 VanDerWaalsContact CD2-OE1 3.3Å; H156-E167 IonicContact NE2-OE1 2.93Å; L157-E167 HydrophobicContact CD2-CB 4.46Å; L157-E167 HydrophobicContact CD2-CG 3.98Å; D164-E167 HydrophobicContact CB-CB 4Å; D164-E167 PolarHBondContact O-N 3.06Å; E167-L169 PolarHBondContact O-N 3.28Å; E167-I170 PolarHBondContact O-N 2.75Å; E167-A171 WeakPolarHBondContact O-CB 3.27Å; E167-A171 PolarHBondContact O-N 2.7Å
168F96.4Very high91Very high5 Ų544.4 Ų44.42%0.02221%0.212CC..Hα-helixtrans-61.4-42.8173.4178.3-89.9000112.7F88 M89 I92 V150 L157 D164 H166 A171 A172F88-F168 HydrophobicContact CD2-CB 3.64Å; F88-F168 HydrophobicContact CD2-CD2 4.1Å; F88-F168 AromaticContact CD2-CG 3.86Å; F88-F168 HydrophobicContact CD2-CG 3.86Å; F88-F168 HydrophobicContact CE2-CB 3.8Å; F88-F168 AromaticContact CE2-CD2 3.53Å; F88-F168 HydrophobicContact CE2-CD2 3.53Å; F88-F168 HydrophobicContact CE2-CE2 4.3Å; F88-F168 AromaticContact CE2-CG 3.79Å; F88-F168 HydrophobicContact CE2-CG 3.79Å; M89-F168 HydrophobicContact CB-CD2 4.38Å; M89-F168 HydrophobicContact CB-CE1 4.19Å; M89-F168 HydrophobicContact CB-CE2 3.94Å; M89-F168 HydrophobicContact CB-CZ 3.88Å; M89-F168 HydrophobicContact CG-CE1 3.97Å; M89-F168 HydrophobicContact CG-CE2 3.8Å; M89-F168 HydrophobicContact CG-CZ 3.42Å; M89-F168 VanDerWaalsContact CG-CZ 3.42Å; M89-F168 HydrophobicContact SD-CE2 4.17Å; M89-F168 HydrophobicContact SD-CZ 4.13Å; I92-F168 HydrophobicContact CB-CD1 3.72Å; I92-F168 HydrophobicContact CB-CE1 3.86Å; I92-F168 HydrophobicContact CG1-CD1 3.87Å; I92-F168 HydrophobicContact CG2-CD1 3.77Å; I92-F168 HydrophobicContact CG2-CE1 3.79Å; V150-F168 HydrophobicContact CB-CE2 4.15Å; V150-F168 HydrophobicContact CG1-CD2 4.04Å; V150-F168 HydrophobicContact CG1-CE2 3.69Å; V150-F168 HydrophobicContact CG2-CE2 3.82Å; V150-F168 HydrophobicContact CG2-CZ 4.13Å; L157-F168 HydrophobicContact CD1-CB 4.4Å; L157-F168 HydrophobicContact CD1-CD2 4.16Å; D164-F168 PolarHBondContact O-N 3.17Å; H166-F168 VanDerWaalsContact C-N 3.32Å; H166-F168 PolarHBondContact O-N 2.92Å; F168-A171 PolarHBondContact O-N 3.27Å; F168-A172 HydrophobicContact CE1-CB 4.2Å; F168-A172 HydrophobicContact CZ-CB 4.47Å; F168-A172 WeakPolarHBondContact O-CB 3.48Å; F168-A172 PolarHBondContact O-N 2.73Å
169L97.5Very high91.4Very high2 Ų243 Ų431%0.0120%0.197CC..Hα-helixtrans-57.7-51.1176.8173.766.5000110.9I92 L96 A165 H166 E167 A171 A172 L173 C307 F417I92-L169 HydrophobicContact CD1-CB 4Å; I92-L169 HydrophobicContact CG1-CB 4.32Å; I92-L169 HydrophobicContact CG2-CB 4.23Å; I92-L169 HydrophobicContact CG2-CD1 3.83Å; L96-L169 HydrophobicContact CD2-CD1 4.36Å; A165-L169 WeakPolarHBondContact O-CB 3.38Å; A165-L169 PolarHBondContact O-N 3.17Å; H166-L169 WeakPolarHBondContact O-CB 3.34Å; H166-L169 PolarHBondContact O-N 2.79Å; H166-L169 VanDerWaalsContact O-N 3.13Å; E167-L169 PolarHBondContact O-N 3.28Å; L169-A171 PolarHBondContact O-N 2.78Å; L169-A172 PolarHBondContact O-N 3.42Å; L169-L173 HydrophobicContact CD1-CD1 3.95Å; L169-L173 HydrophobicContact CD1-CG 4.08Å; L169-L173 HydrophobicContact CG-CD1 4.1Å; L169-L173 WeakPolarHBondContact O-CB 3.18Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.48Å; L169-L173 PolarHBondContact O-N 2.76Å; L169-C307 HydrophobicContact CD2-CB 4.44Å; L169-F417 HydrophobicContact CD1-CE1 4.16Å; L169-F417 HydrophobicContact CD1-CZ 4.33Å; L169-F417 HydrophobicContact CD2-CE1 3.99Å; L169-F417 HydrophobicContact CD2-CZ 3.9Å
170I96.2Very high91.6Very high48 Ų4843 Ų4325%0.24619%0.192CC..Hα-helixtrans-63.2-44.7-178.8-58.8-52.4000110.8H166 E167 A172 L173 D174 W227 D228H166-I170 WeakPolarHBondContact O-CG1 3.42Å; H166-I170 PolarHBondContact O-N 2.89Å; E167-I170 PolarHBondContact O-N 2.75Å; I170-A172 PolarHBondContact O-N 3.12Å; I170-L173 PolarHBondContact O-N 2.81Å; I170-D174 WeakPolarHBondContact O-CB 3.49Å; I170-D174 PolarHBondContact O-N 2.82Å; I170-W227 HydrophobicContact CD1-CB 4.41Å; I170-W227 HydrophobicContact CD1-CE3 4.48Å; I170-W227 HydrophobicContact CG2-CE3 4.14Å; I170-W227 HydrophobicContact CG2-CZ3 4.16Å; I170-W227 WeakPolarHBondContact O-CZ3 3.19Å; I170-D228 HydrophobicContact CD1-CB 4.31Å; I170-D228 WeakPolarHBondContact CD1-OD1 3.3Å
171A95.6Very high91.7Very high11 Ų1140 Ų409%0.09118%0.182CC..Hα-helixtrans-62.1-43.4176.500000112.2A154 L157 E167 F168 L169 D174 V175A154-A171 HydrophobicContact CB-CB 4.01Å; L157-A171 HydrophobicContact CD1-CB 3.58Å; E167-A171 WeakPolarHBondContact O-CB 3.27Å; E167-A171 PolarHBondContact O-N 2.7Å; F168-A171 PolarHBondContact O-N 3.27Å; L169-A171 PolarHBondContact O-N 2.78Å; A171-D174 PolarHBondContact O-N 3.43Å; A171-V175 WeakPolarHBondContact O-CG2 3.24Å; A171-V175 PolarHBondContact O-N 3.4Å
172A96.2Very high90.9Very high5 Ų532.3 Ų32.34%0.04117%0.167CC..Hα-helixtrans-64.2-44.7178.700000111.6F168 L169 I170 D174 V175 L176F168-A172 HydrophobicContact CE1-CB 4.2Å; F168-A172 HydrophobicContact CZ-CB 4.47Å; F168-A172 WeakPolarHBondContact O-CB 3.48Å; F168-A172 PolarHBondContact O-N 2.73Å; L169-A172 PolarHBondContact O-N 3.42Å; I170-A172 PolarHBondContact O-N 3.12Å; A172-D174 VanDerWaalsContact C-N 3.33Å; A172-D174 PolarHBondContact O-N 3.19Å; A172-V175 PolarHBondContact O-N 3.32Å; A172-L176 WeakPolarHBondContact O-CB 3.38Å; A172-L176 WeakPolarHBondContact O-CG 3.29Å; A172-L176 PolarHBondContact O-N 2.97Å
173L95.8Very high89.5Confident0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-62.2-39.8175.9-68.4178.5000111.6L96 L169 I170 L176 H177 I199 F203 W227L96-L173 HydrophobicContact CD2-CD2 4.3Å; L169-L173 HydrophobicContact CD1-CD1 3.95Å; L169-L173 HydrophobicContact CD1-CG 4.08Å; L169-L173 HydrophobicContact CG-CD1 4.1Å; L169-L173 WeakPolarHBondContact O-CB 3.18Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.48Å; L169-L173 PolarHBondContact O-N 2.76Å; I170-L173 PolarHBondContact O-N 2.81Å; L173-L176 PolarHBondContact O-N 3.47Å; L173-H177 WeakPolarHBondContact O-CB 3.43Å; L173-H177 PolarHBondContact O-N 2.99Å; L173-I199 HydrophobicContact CB-CG2 4.29Å; L173-I199 HydrophobicContact CD2-CD1 4.39Å; L173-I199 HydrophobicContact CD2-CG2 4.05Å; L173-F203 HydrophobicContact CD1-CB 4.44Å; L173-F203 HydrophobicContact CD1-CG 4.37Å; L173-F203 HydrophobicContact CD2-CD2 3.79Å; L173-F203 HydrophobicContact CD2-CE2 3.96Å; L173-F203 HydrophobicContact CD2-CG 4.12Å; L173-F203 HydrophobicContact CD2-CZ 4.43Å; L173-W227 HydrophobicContact CB-CD2 4.04Å; L173-W227 HydrophobicContact CB-CE3 3.65Å; L173-W227 HydrophobicContact CB-CZ3 3.94Å; L173-W227 HydrophobicContact CD1-CB 3.93Å; L173-W227 HydrophobicContact CD1-CD2 4.3Å; L173-W227 HydrophobicContact CD1-CE3 4.29Å; L173-W227 HydrophobicContact CD1-CG 4.17Å
174D93.9Very high87.7Confident60 Ų6038.9 Ų38.932%0.32121%0.206SC..Hα-helixtrans-62.7-47.1175.6-179.467.9000112.8I170 A171 A172 H177 R178 W227I170-D174 WeakPolarHBondContact O-CB 3.49Å; I170-D174 PolarHBondContact O-N 2.82Å; A171-D174 PolarHBondContact O-N 3.43Å; A172-D174 VanDerWaalsContact C-N 3.33Å; A172-D174 PolarHBondContact O-N 3.19Å; D174-H177 WeakPolarHBondContact O-CB 3.44Å; D174-H177 PolarHBondContact O-N 2.85Å; D174-R178 WeakPolarHBondContact O-CG 3.21Å; D174-R178 PolarHBondContact O-N 3.33Å; D174-R178 PolarHBondContact O-NE 3.45Å; D174-R178 IonicContact OD1-NE 3.37Å; D174-R178 IonicContact OD2-CZ 2.75Å; D174-R178 VanDerWaalsContact OD2-CZ 3.23Å; D174-R178 IonicContact OD2-NE 3.84Å; D174-R178 PolarHBondContact OD2-NE 3.24Å; D174-R178 IonicContact OD2-NH2 2.82Å; D174-R178 PolarHBondContact OD2-NH2 3.44Å; D174-W227 HydrophobicContact CB-CH2 3.6Å; D174-W227 HydrophobicContact CB-CZ3 3.68Å
175V94Very high85.7Confident2 Ų243.3 Ų43.31%0.01223%0.234CC..Hα-helixtrans-64.1-43.8178.3-178.40000110.6L122 H153 A171 A172 R178 H179L122-V175 HydrophobicContact CB-CG1 3.74Å; L122-V175 HydrophobicContact CD2-CB 3.57Å; L122-V175 HydrophobicContact CD2-CG1 3.39Å; L122-V175 HydrophobicContact CG-CG1 4.18Å; H153-V175 HydrophobicContact CB-CB 4.48Å; H153-V175 HydrophobicContact CB-CG1 3.82Å; H153-V175 HydrophobicContact CB-CG2 3.7Å; A171-V175 WeakPolarHBondContact O-CG2 3.24Å; A171-V175 PolarHBondContact O-N 3.4Å; A172-V175 PolarHBondContact O-N 3.32Å; V175-R178 PolarHBondContact O-N 3.01Å; V175-H179 WeakPolarHBondContact CG1-CE1 3.49Å; V175-H179 WeakPolarHBondContact O-CB 3.36Å; V175-H179 VanDerWaalsContact O-CG 3.28Å; V175-H179 PolarHBondContact O-N 3.45Å
176L94.1Very high83.4Confident1 Ų146.7 Ų46.71%0.00527%0.269CS..Hα-helixtrans-63.5-43.1176.6-71172.3000111.8F106 L122 V123 M126 A172 L173 R178 H179 C180 I199F106-L176 HydrophobicContact CZ-CD2 4.3Å; L122-L176 HydrophobicContact CB-CD2 4.26Å; L122-L176 HydrophobicContact CD2-CD2 3.9Å; L122-L176 HydrophobicContact CD2-CG 3.86Å; L122-L176 HydrophobicContact CG-CD2 3.82Å; L122-L176 HydrophobicContact CG-CG 4.35Å; V123-L176 HydrophobicContact CG2-CD2 3.87Å; M126-L176 HydrophobicContact CB-CD2 4.48Å; M126-L176 HydrophobicContact CG-CD2 3.75Å; A172-L176 WeakPolarHBondContact O-CB 3.38Å; A172-L176 WeakPolarHBondContact O-CG 3.29Å; A172-L176 PolarHBondContact O-N 2.97Å; L173-L176 PolarHBondContact O-N 3.47Å; L176-R178 PolarHBondContact O-N 3.49Å; L176-H179 PolarHBondContact O-N 3.49Å; L176-C180 VanDerWaalsContact O-CB 3.27Å; L176-C180 WeakPolarHBondContact O-CB 3.33Å; L176-C180 PolarHBondContact O-N 2.9Å; L176-C180 PolarHBondContact O-SG 3.41Å; L176-I199 HydrophobicContact CB-CD1 3.79Å; L176-I199 HydrophobicContact CB-CG1 3.68Å; L176-I199 HydrophobicContact CD1-CD1 4.05Å
177H92.1Very high81.1Confident20 Ų2054.1 Ų54.19%0.09330%0.301CS..Hα-helixtrans-57-48.4176.1175.354.4000111.6L173 D174 C180 K181 C195 C197 I199 D200 W227L173-H177 WeakPolarHBondContact O-CB 3.43Å; L173-H177 PolarHBondContact O-N 2.99Å; D174-H177 WeakPolarHBondContact O-CB 3.44Å; D174-H177 PolarHBondContact O-N 2.85Å; H177-C180 PolarHBondContact O-N 3.44Å; H177-K181 WeakPolarHBondContact CE1-CE 3.33Å; H177-K181 PolarHBondContact CE1-NZ 2.84Å; H177-K181 WeakPolarHBondContact NE2-CE 3.4Å; H177-K181 PolarHBondContact NE2-NZ 3.25Å; H177-K181 WeakPolarHBondContact O-CG 3.47Å; H177-K181 PolarHBondContact O-N 2.81Å; H177-K181 VanDerWaalsContact O-N 3.12Å; H177-C195 VanDerWaalsContact CE1-CB 3.48Å; H177-C195 WeakPolarHBondContact CE1-CB 3.41Å; H177-C197 PolarHBondContact ND1-SG 2.7Å; H177-I199 HydrophobicContact CB-CB 4.33Å; H177-I199 HydrophobicContact CB-CG2 4.27Å; H177-D200 IonicContact CE1-OD1 3.23Å; H177-D200 PolarHBondContact CE1-OD1 3.08Å; H177-D200 VanDerWaalsContact CE1-OD1 3.29Å; H177-D200 IonicContact CE1-OD2 3.01Å; H177-D200 PolarHBondContact CE1-OD2 3.06Å; H177-D200 VanDerWaalsContact CE1-OD2 3.23Å; H177-D200 IonicContact ND1-OD1 3.1Å; H177-D200 IonicContact NE2-OD1 2.89Å; H177-D200 IonicContact NE2-OD2 3.91Å; H177-W227 HydrophobicContact CB-CZ2 4.24Å; H177-W227 AromaticContact CD2-CZ2 3.97Å
178R90.7Very high78.7Confident97 Ų9753.9 Ų53.937%0.36631%0.313SS..Hα-helixtrans-64.3-41.5177.7-75.6-176.4-75.1100.7-8.5113D174 V175 L176 C180D174-R178 WeakPolarHBondContact O-CG 3.21Å; D174-R178 PolarHBondContact O-N 3.33Å; D174-R178 PolarHBondContact O-NE 3.45Å; D174-R178 IonicContact OD1-NE 3.37Å; D174-R178 IonicContact OD2-CZ 2.75Å; D174-R178 VanDerWaalsContact OD2-CZ 3.23Å; D174-R178 IonicContact OD2-NE 3.84Å; D174-R178 PolarHBondContact OD2-NE 3.24Å; D174-R178 IonicContact OD2-NH2 2.82Å; D174-R178 PolarHBondContact OD2-NH2 3.44Å; V175-R178 PolarHBondContact O-N 3.01Å; L176-R178 PolarHBondContact O-N 3.49Å; R178-C180 VanDerWaalsContact C-N 3.35Å
179H91.6Very high76.4Confident18 Ų1858.7 Ų58.78%0.08335%0.354CS..Hα-helixtrans-79.6-15.9-179.7-66.6175.4000113.6H111 L122 V123 H153 V175 L176H111-H179 PolarHBondContact CE1-O 2.73Å; L122-H179 WeakPolarHBondContact CB-ND1 3.41Å; L122-H179 PolarHBondContact N-ND1 3.12Å; L122-H179 VanDerWaalsContact N-ND1 3.19Å; V123-H179 HydrophobicContact CB-CB 4.48Å; V123-H179 HydrophobicContact CG2-CB 3.5Å; V123-H179 VanDerWaalsContact CG2-CB 3.5Å; H153-H179 AromaticContact CD2-CE1 3.76Å; H153-H179 AromaticContact CE1-CE1 3.51Å; H153-H179 AromaticContact CE1-NE2 3.6Å; H153-H179 AromaticContact ND1-CE1 3.9Å; H153-H179 AromaticContact ND1-NE2 3.84Å; H153-H179 AromaticContact NE2-CE1 3.43Å; H153-H179 PolarHBondContact NE2-CE1 3.23Å; H153-H179 AromaticContact NE2-NE2 4Å; V175-H179 WeakPolarHBondContact CG1-CE1 3.49Å; V175-H179 WeakPolarHBondContact O-CB 3.36Å; V175-H179 VanDerWaalsContact O-CG 3.28Å; V175-H179 PolarHBondContact O-N 3.45Å; L176-H179 PolarHBondContact O-N 3.49Å
180C87.2Confident74Confident26 Ų2665 Ų6518%0.17639%0.387CS..Hα-helixtrans-86.7-23.6172.2-69.30000112.7V123 L176 H177 R178 G182 C197V123-C180 WeakPolarHBondContact CG2-SG 3.26Å; L176-C180 VanDerWaalsContact O-CB 3.27Å; L176-C180 WeakPolarHBondContact O-CB 3.33Å; L176-C180 PolarHBondContact O-N 2.9Å; L176-C180 PolarHBondContact O-SG 3.41Å; H177-C180 PolarHBondContact O-N 3.44Å; R178-C180 VanDerWaalsContact C-N 3.35Å; C180-G182 PolarHBondContact O-N 2.87Å; C180-C197 HydrophobicContact CB-CB 3.69Å
181K79.3Confident72.1Confident82 Ų8266.7 Ų66.736%0.35740%0.397SS..SBendtrans-66.4108.4165.8-76.9169174.3177.80106.8H177 C195H177-K181 WeakPolarHBondContact CE1-CE 3.33Å; H177-K181 PolarHBondContact CE1-NZ 2.84Å; H177-K181 WeakPolarHBondContact NE2-CE 3.4Å; H177-K181 PolarHBondContact NE2-NZ 3.25Å; H177-K181 WeakPolarHBondContact O-CG 3.47Å; H177-K181 PolarHBondContact O-N 2.81Å; H177-K181 VanDerWaalsContact O-N 3.12Å; K181-C195 VanDerWaalsContact CE-CB 3.46Å; K181-C195 WeakPolarHBondContact CE-SG 3.44Å; K181-C195 WeakPolarHBondContact CG-SG 3.29Å
182G63.7Low70.4Confident45 Ų4571.9 Ų71.946%0.46443%0.43SS..  trans-55156.1161.700000109.1C180 D184C180-G182 PolarHBondContact O-N 2.87Å; G182-D184 PolarHBondContact O-N 2.92Å
183D51.9Low69Low111 Ų11174.8 Ų74.859%0.59445%0.445SS*.SBendtrans-69.942.5178.1-82.3-31.4000112.4V185D183-V185 HydrophobicContact CB-CG2 4.38Å; D183-V185 PolarHBondContact O-N 3.03Å
184D50.1Low67.9Low131 Ų13180.6 Ų80.670%0.70147%0.472SS*.  trans-71.250.6162.7-90.3-31.8000110.2G182 G186G182-D184 PolarHBondContact O-N 2.92Å; D184-G186 PolarHBondContact O-N 3.22Å
185V47.9Very low67.3Low132 Ų13279.3 Ų79.380%0.847%0.467SS*.THydrogen-bonded Turntrans-57.3-16.7168.3-1780000110.5D183D183-V185 HydrophobicContact CB-CG2 4.38Å; D183-V185 PolarHBondContact O-N 3.03Å
186G46.9Very low66.9Low72 Ų7286.3 Ų86.374%0.74250%0.504SS*.THydrogen-bonded Turntrans-99.1-11.4-174.100000118.2D184D184-G186 PolarHBondContact O-N 3.22Å
187K46.5Very low66.7Low186 Ų18686.7 Ų86.781%0.80951%0.507SS*.THydrogen-bonded Turntrans-134.211-170.9-81.7-171.4-179.7176.30118.2
188A45.1Very low66.6Low77 Ų7786.5 Ų86.564%0.63651%0.506SS*.  trans-103.672.4167.300000111.7N190A188-N190 PolarHBondContact O-N 3.46Å
189A47.8Very low66.7Low107 Ų10781.9 Ų81.988%0.88449%0.489SS*.  trans-66.70.2148.200000111.8
190N48.4Very low66.7Low133 Ų13381.5 Ų81.571%0.71149%0.488SS*.SBendtrans-84.6114.7172.1-74.4-16.3000109.3A188A188-N190 PolarHBondContact O-N 3.46Å
191N55.7Low66.9Low84 Ų8485.7 Ų85.745%0.44951%0.505SS..  trans12.1111.1169.8-162.4-8.5000116.4N193 H194N191-N193 PolarHBondContact O-N 2.93Å; N191-N193 WeakPolarHBondContact OD1-CB 3.39Å; N191-N193 PolarHBondContact OD1-N 3.27Å; N191-H194 PolarHBondContact O-N 3.31Å; N191-H194 VanDerWaalsContact O-N 3.07Å
192P60.1Low67.7Low121 Ų12181.9 Ų81.979%0.78649%0.488SS*.THydrogen-bonded Turntrans-55.9-15.2178.422.8-33.3000114.4
193N66Low69.2Low66 Ų6679.8 Ų79.835%0.35347%0.466SS..THydrogen-bonded Turntrans-84.4-3.5-179.1-62.9-2.9000114.8N191N191-N193 PolarHBondContact O-N 2.93Å; N191-N193 WeakPolarHBondContact OD1-CB 3.39Å; N191-N193 PolarHBondContact OD1-N 3.27Å
194H72.1Confident71.3Confident122 Ų12274.9 Ų74.957%0.56544%0.44SS*.  trans-136.4111.9-177.9-68.279.6000111.5N191N191-H194 PolarHBondContact O-N 3.31Å; N191-H194 VanDerWaalsContact O-N 3.07Å
195C82.5Confident73.4Confident32 Ų3268.7 Ų68.722%0.21641%0.408CS..  trans-105.6150.9170.2-168.40000111.6H177 K181 C197 D200H177-C195 VanDerWaalsContact CE1-CB 3.48Å; H177-C195 WeakPolarHBondContact CE1-CB 3.41Å; K181-C195 VanDerWaalsContact CE-CB 3.46Å; K181-C195 WeakPolarHBondContact CE-SG 3.44Å; K181-C195 WeakPolarHBondContact CG-SG 3.29Å; C195-C197 VanDerWaalsContact C-N 3.25Å; C195-C197 PolarHBondContact O-N 2.94Å; C195-C197 PolarHBondContact SG-N 3.42Å; C195-C197 VanDerWaalsContact SG-N 3.42Å; C195-D200 WeakPolarHBondContact CA-OD2 3.49Å; C195-D200 HydrophobicContact CB-CB 4.23Å; C195-D200 WeakPolarHBondContact CB-OD2 3.23Å; C195-D200 PolarHBondContact N-OD2 2.99Å; C195-D200 VanDerWaalsContact O-CB 3.24Å; C195-D200 WeakPolarHBondContact O-CB 3.39Å
196N84.1Confident75.7Confident149 Ų14962.7 Ų62.780%0.79737%0.372SS*.  trans-86.913.5172.9-65.7-23.4000113Q201N196-Q201 PolarHBondContact O-NE2 3.32Å
197C90Very high78Confident10 Ų1060.8 Ų60.87%0.06835%0.345CS..SBendtrans-73.6161.1-17983.40000111.6H177 C180 C195 I199 D200 Q201H177-C197 PolarHBondContact ND1-SG 2.7Å; C180-C197 HydrophobicContact CB-CB 3.69Å; C195-C197 VanDerWaalsContact C-N 3.25Å; C195-C197 PolarHBondContact O-N 2.94Å; C195-C197 PolarHBondContact SG-N 3.42Å; C195-C197 VanDerWaalsContact SG-N 3.42Å; C197-I199 PolarHBondContact O-N 2.81Å; C197-D200 PolarHBondContact O-N 3.38Å; C197-D200 PolarHBondContact SG-N 3.22Å; C197-Q201 WeakPolarHBondContact O-CG 3.35Å; C197-Q201 PolarHBondContact O-N 2.73Å
198I90.5Very high80.5Confident15 Ų1552.6 Ų52.68%0.07731%0.309CS..Hα-helixtrans-60.4-32.8-178.5-169.461.8000113.1I101 L102 F105 Q201 I202I101-I198 HydrophobicContact CG2-CD1 4.32Å; L102-I198 HydrophobicContact CD1-CG1 4.22Å; F105-I198 HydrophobicContact CB-CD1 4.03Å; F105-I198 HydrophobicContact CB-CG1 3.88Å; F105-I198 HydrophobicContact CD1-CB 4.27Å; F105-I198 HydrophobicContact CD1-CG1 4.04Å; F105-I198 HydrophobicContact CD1-CG2 3.92Å; F105-I198 HydrophobicContact CD2-CB 3.95Å; F105-I198 HydrophobicContact CD2-CD1 3.94Å; F105-I198 HydrophobicContact CD2-CG1 3.79Å; F105-I198 HydrophobicContact CD2-CG2 4.41Å; F105-I198 HydrophobicContact CE1-CB 4.31Å; F105-I198 HydrophobicContact CE1-CG2 3.71Å; F105-I198 HydrophobicContact CE2-CB 3.97Å; F105-I198 HydrophobicContact CE2-CG1 4.33Å; F105-I198 HydrophobicContact CE2-CG2 4.22Å; F105-I198 HydrophobicContact CG-CB 4.11Å; F105-I198 HydrophobicContact CG-CD1 4.07Å; F105-I198 HydrophobicContact CG-CG1 3.63Å; F105-I198 HydrophobicContact CG-CG2 4.28Å; F105-I198 HydrophobicContact CZ-CB 4.15Å; F105-I198 HydrophobicContact CZ-CG2 3.87Å; I198-Q201 PolarHBondContact O-N 2.67Å; I198-I202 HydrophobicContact CD1-CD1 3.72Å; I198-I202 HydrophobicContact CD1-CG1 4.16Å; I198-I202 HydrophobicContact CG1-CD1 3.7Å; I198-I202 HydrophobicContact CG1-CG1 4.41Å; I198-I202 WeakPolarHBondContact O-CB 3.45Å; I198-I202 VanDerWaalsContact O-CG1 3.3Å; I198-I202 WeakPolarHBondContact O-CG1 3.32Å; I198-I202 PolarHBondContact O-N 2.95Å; I198-I202 VanDerWaalsContact O-N 3.11Å
199I93.3Very high82.9Confident0 Ų049.3 Ų49.30%028%0.282CS..Hα-helixtrans-67.8-46.9179.2-58.3-56.2000110.4L102 L173 L176 H177 C197 Q201 I202 F203L102-I199 HydrophobicContact CD1-CD1 4.15Å; L173-I199 HydrophobicContact CB-CG2 4.29Å; L173-I199 HydrophobicContact CD2-CD1 4.39Å; L173-I199 HydrophobicContact CD2-CG2 4.05Å; L176-I199 HydrophobicContact CB-CD1 3.79Å; L176-I199 HydrophobicContact CB-CG1 3.68Å; L176-I199 HydrophobicContact CD1-CD1 4.05Å; H177-I199 HydrophobicContact CB-CB 4.33Å; H177-I199 HydrophobicContact CB-CG2 4.27Å; C197-I199 PolarHBondContact O-N 2.81Å; I199-Q201 VanDerWaalsContact C-N 3.32Å; I199-Q201 PolarHBondContact O-N 2.91Å; I199-I202 PolarHBondContact O-N 2.98Å; I199-F203 HydrophobicContact CD1-CD2 4.5Å; I199-F203 HydrophobicContact CG2-CD2 4.31Å; I199-F203 PolarHBondContact O-N 3.4Å
200D92.2Very high85.3Confident11 Ų1144.6 Ų44.66%0.05924%0.242CC..Hα-helixtrans-66.1-34.6177.1-96.38.9000112.8H177 C195 C197 I202 T204H177-D200 IonicContact CE1-OD1 3.23Å; H177-D200 PolarHBondContact CE1-OD1 3.08Å; H177-D200 VanDerWaalsContact CE1-OD1 3.29Å; H177-D200 IonicContact CE1-OD2 3.01Å; H177-D200 PolarHBondContact CE1-OD2 3.06Å; H177-D200 VanDerWaalsContact CE1-OD2 3.23Å; H177-D200 IonicContact ND1-OD1 3.1Å; H177-D200 IonicContact NE2-OD1 2.89Å; H177-D200 IonicContact NE2-OD2 3.91Å; C195-D200 WeakPolarHBondContact CA-OD2 3.49Å; C195-D200 HydrophobicContact CB-CB 4.23Å; C195-D200 WeakPolarHBondContact CB-OD2 3.23Å; C195-D200 PolarHBondContact N-OD2 2.99Å; C195-D200 VanDerWaalsContact O-CB 3.24Å; C195-D200 WeakPolarHBondContact O-CB 3.39Å; C197-D200 PolarHBondContact O-N 3.38Å; C197-D200 PolarHBondContact SG-N 3.22Å; D200-I202 VanDerWaalsContact C-N 3.33Å; D200-I202 PolarHBondContact O-N 3.46Å; D200-T204 WeakPolarHBondContact CA-OG1 3.27Å; D200-T204 WeakPolarHBondContact O-CB 3.24Å; D200-T204 PolarHBondContact O-N 3.1Å; D200-T204 PolarHBondContact OD1-OG1 2.65Å
201Q91.8Very high87.5Confident114 Ų11439.5 Ų39.553%0.53322%0.216SC..Hα-helixtrans-65.5-36175.5-70.8177.424.600112.5N196 C197 I198 I199 V304N196-Q201 PolarHBondContact O-NE2 3.32Å; C197-Q201 WeakPolarHBondContact O-CG 3.35Å; C197-Q201 PolarHBondContact O-N 2.73Å; I198-Q201 PolarHBondContact O-N 2.67Å; I199-Q201 VanDerWaalsContact C-N 3.32Å; I199-Q201 PolarHBondContact O-N 2.91Å; Q201-V304 WeakPolarHBondContact O-CG2 3.21Å
202I94.6Very high89.5Confident2 Ų237 Ų371%0.0120%0.204CC..Hα-helixtrans-92.4-50.8-173.5-65.4174000112.2T99 I101 L102 I198 I199 D200 V304 V305T99-I202 HydrophobicContact CG2-CG2 4.22Å; I101-I202 HydrophobicContact CB-CD1 3.85Å; I101-I202 HydrophobicContact CB-CG1 4.26Å; I101-I202 HydrophobicContact CG2-CD1 3.68Å; I101-I202 HydrophobicContact CG2-CG1 3.95Å; L102-I202 HydrophobicContact CB-CD1 3.93Å; L102-I202 HydrophobicContact CD1-CD1 3.96Å; I198-I202 HydrophobicContact CD1-CD1 3.72Å; I198-I202 HydrophobicContact CD1-CG1 4.16Å; I198-I202 HydrophobicContact CG1-CD1 3.7Å; I198-I202 HydrophobicContact CG1-CG1 4.41Å; I198-I202 WeakPolarHBondContact O-CB 3.45Å; I198-I202 VanDerWaalsContact O-CG1 3.3Å; I198-I202 WeakPolarHBondContact O-CG1 3.32Å; I198-I202 PolarHBondContact O-N 2.95Å; I198-I202 VanDerWaalsContact O-N 3.11Å; I199-I202 PolarHBondContact O-N 2.98Å; D200-I202 VanDerWaalsContact C-N 3.33Å; D200-I202 PolarHBondContact O-N 3.46Å; I202-V304 WeakPolarHBondContact O-CA 3.3Å; I202-V304 WeakPolarHBondContact O-CB 3.41Å; I202-V304 PolarHBondContact O-N 2.89Å; I202-V305 HydrophobicContact CG2-CB 3.9Å; I202-V305 HydrophobicContact CG2-CG2 3.61Å; I202-V305 PolarHBondContact O-N 3.08Å
203F96.2Very high91.2Very high0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-103.6-18.4-165.8-64.8-80.5000113.8L96 T99 L102 L173 I199 G205 P303 V305L96-F203 HydrophobicContact CD2-CE1 4.31Å; L96-F203 HydrophobicContact CD2-CE2 4.3Å; L96-F203 HydrophobicContact CD2-CZ 3.68Å; T99-F203 HydrophobicContact CG2-CZ 4.45Å; L102-F203 HydrophobicContact CD2-CE2 4.07Å; L102-F203 HydrophobicContact CD2-CZ 4.21Å; L173-F203 HydrophobicContact CD1-CB 4.44Å; L173-F203 HydrophobicContact CD1-CG 4.37Å; L173-F203 HydrophobicContact CD2-CD2 3.79Å; L173-F203 HydrophobicContact CD2-CE2 3.96Å; L173-F203 HydrophobicContact CD2-CG 4.12Å; L173-F203 HydrophobicContact CD2-CZ 4.43Å; I199-F203 HydrophobicContact CD1-CD2 4.5Å; I199-F203 HydrophobicContact CG2-CD2 4.31Å; I199-F203 PolarHBondContact O-N 3.4Å; F203-G205 PolarHBondContact O-N 2.85Å; F203-P303 WeakPolarHBondContact O-CB 3.2Å; F203-V305 HydrophobicContact CD1-CB 3.93Å; F203-V305 HydrophobicContact CD1-CG1 3.94Å; F203-V305 HydrophobicContact CE1-CB 3.81Å; F203-V305 HydrophobicContact CE1-CG1 3.55Å; F203-V305 HydrophobicContact CE1-CG2 4.5Å
204T95.1Very high92.6Very high8 Ų832 Ų325%0.04917%0.168CC..  trans-84.8107-174.6-59.10000112.3D200 P225 W227D200-T204 WeakPolarHBondContact CA-OG1 3.27Å; D200-T204 WeakPolarHBondContact O-CB 3.24Å; D200-T204 PolarHBondContact O-N 3.1Å; D200-T204 PolarHBondContact OD1-OG1 2.65Å; T204-P225 HydrophobicContact CG2-CB 3.71Å; T204-W227 PolarHBondContact OG1-NE1 2.59Å
205G94.9Very high93.6Very high2 Ų229 Ų292%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-87.6176.8164.300000112.2F203 P225 C226 K301F203-G205 PolarHBondContact O-N 2.85Å; G205-P225 WeakPolarHBondContact O-CA 3.16Å; G205-C226 PolarHBondContact N-O 2.86Å; G205-C226 PolarHBondContact O-N 2.91Å; G205-K301 CarbonylContact C-O 2.89Å; G205-K301 WeakPolarHBondContact CA-O 3.47Å
206G95.2Very high94.3Very high5 Ų529.9 Ų29.95%0.05217%0.17CC..EExtended strand (participates in β ladder)trans-123.8111.117500000109.9N300 K301G206-N300 WeakPolarHBondContact O-CB 3.38Å; G206-N300 PolarHBondContact O-N 2.79Å; G206-K301 PolarHBondContact N-O 2.84Å; G206-K301 PolarHBondContact O-N 3.31Å; G206-K301 VanDerWaalsContact O-N 3.15Å
207L97Very high94.8Very high32 Ų3229.3 Ų29.317%0.16816%0.163CC..EExtended strand (participates in β ladder)trans-90.1120.4177-173.569000109.1I223 D224 C226 F270 L297 M299L207-I223 WeakPolarHBondContact O-CA 3.24Å; L207-D224 PolarHBondContact N-O 2.84Å; L207-D224 PolarHBondContact O-N 3.48Å; L207-C226 HydrophobicContact CB-CB 4.44Å; L207-F270 HydrophobicContact CD1-CE1 3.71Å; L207-F270 HydrophobicContact CD1-CZ 3.9Å; L207-F270 HydrophobicContact CD2-CZ 4.13Å; L207-L297 HydrophobicContact CD1-CB 4.3Å; L207-L297 HydrophobicContact CD2-CD1 4.42Å; L207-L297 HydrophobicContact CD2-CD2 4.29Å; L207-L297 HydrophobicContact CG-CD2 4.44Å; L207-M299 HydrophobicContact CD1-SD 4.03Å
208Q97.4Very high95Very high14 Ų1430.1 Ų30.17%0.06517%0.172CC..EExtended strand (participates in β ladder)trans-94.4129.3176.6177.2172.7-3500110.6D210 T221 T222 I223 L297 T298 N300Q208-D210 PolarHBondContact NE2-OD1 2.94Å; Q208-D210 PolarHBondContact NE2-OD2 3.31Å; Q208-T221 HydrophobicContact CG-CG2 3.56Å; Q208-T222 CarbonylContact C-O 3.54Å; Q208-T222 WeakPolarHBondContact CA-O 3.45Å; Q208-I223 HydrophobicContact CB-CG1 4.28Å; Q208-I223 HydrophobicContact CG-CG1 4.37Å; Q208-L297 CarbonylContact O-C 3.59Å; Q208-L297 VanDerWaalsContact O-CA 3.28Å; Q208-L297 WeakPolarHBondContact O-CA 3.44Å; Q208-T298 PolarHBondContact N-O 2.81Å; Q208-T298 PolarHBondContact O-N 3.15Å; Q208-N300 HydrophobicContact CB-CB 3.88Å; Q208-N300 PolarHBondContact OE1-ND2 3.2Å; Q208-N300 VanDerWaalsContact OE1-ND2 3.13Å
209S96.8Very high95.2Very high9 Ų933 Ų336%0.06319%0.191CC..EExtended strand (participates in β ladder)trans-113.7109.8174.3167.70000109.5T221 T222 K295 Q296S209-T221 WeakPolarHBondContact O-CA 3.17Å; S209-T222 PolarHBondContact N-O 3.49Å; S209-T222 PolarHBondContact O-N 3.26Å; S209-K295 WeakPolarHBondContact OG-CE 3.37Å; S209-Q296 WeakPolarHBondContact CA-O 3.36Å
210D96.7Very high95.2Very high7 Ų736.7 Ų36.74%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-96.7122.3174.1-66.1-26.9000110Q208 V219 T221 K295 Q296 K343Q208-D210 PolarHBondContact NE2-OD1 2.94Å; Q208-D210 PolarHBondContact NE2-OD2 3.31Å; D210-V219 HydrophobicContact CB-CG1 3.92Å; D210-T221 WeakPolarHBondContact OD1-CB 3.22Å; D210-T221 WeakPolarHBondContact OD1-CG2 3.44Å; D210-T221 PolarHBondContact OD1-OG1 3.33Å; D210-K295 CarbonylContact O-C 3.45Å; D210-K295 WeakPolarHBondContact O-CA 3.5Å; D210-Q296 PolarHBondContact N-O 2.99Å; D210-Q296 PolarHBondContact O-N 2.81Å; D210-K343 IonicContact OD2-NZ 2.65Å; D210-K343 PolarHBondContact OD2-NZ 3.22Å
211V96.3Very high95.4Very high27 Ų2739.7 Ų39.716%0.16424%0.235CC..EExtended strand (participates in β ladder)trans-107.9109.2172179.60000108.8V219 S220 I282 T294 K295V211-V219 WeakPolarHBondContact O-CA 3.48Å; V211-S220 PolarHBondContact N-O 3.5Å; V211-S220 PolarHBondContact O-N 2.9Å; V211-I282 HydrophobicContact CG1-CD1 3.7Å; V211-T294 WeakPolarHBondContact CA-O 3.36Å; V211-K295 HydrophobicContact CG2-CG 4.32Å
212T96.1Very high95.6Very high32 Ų3237.7 Ų37.720%0.19623%0.231CC..EExtended strand (participates in β ladder)trans-99119.7179.6-51.10000110.3V219 S293 T294T212-V219 HydrophobicContact CG2-CG2 4.12Å; T212-S293 CarbonylContact O-C 3.43Å; T212-S293 WeakPolarHBondContact O-CA 3.1Å; T212-S293 WeakPolarHBondContact O-CB 3.37Å; T212-T294 WeakPolarHBondContact CB-OG1 3.44Å; T212-T294 PolarHBondContact N-O 3.08Å; T212-T294 PolarHBondContact O-N 2.96Å
213C96.4Very high95.6Very high4 Ų441.1 Ų41.13%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-67.1130.2172.91780000110.5A215 H217 G218 C284C213-A215 VanDerWaalsContact C-N 3.32Å; C213-A215 PolarHBondContact O-N 3.09Å; C213-A215 PolarHBondContact SG-N 3.35Å; C213-H217 WeakPolarHBondContact O-CA 3.43Å; C213-H217 PolarHBondContact O-N 2.95Å; C213-G218 PolarHBondContact N-O 3.05Å; C213-C284 HydrophobicContact CB-CB 4.46Å
214Q95.1Very high95.5Very high76 Ų7645.1 Ų45.136%0.35527%0.27SS..THydrogen-bonded Turntrans-79.5-13.8-180-67.8-174-34.700114H275 E292 T294Q214-H275 PolarHBondContact NE2-ND1 3.36Å; Q214-H275 PolarHBondContact OE1-CE1 3.34Å; Q214-H275 PolarHBondContact OE1-ND1 2.86Å; Q214-E292 WeakPolarHBondContact CB-O 3.43Å; Q214-E292 PolarHBondContact N-O 3.35Å; Q214-T294 HydrophobicContact CG-CG2 4.33Å
215A94.7Very high95.5Very high59 Ų5947.9 Ų47.949%0.48829%0.288SS..THydrogen-bonded Turntrans-88-44.7178.300000113C213 Q291C213-A215 VanDerWaalsContact C-N 3.32Å; C213-A215 PolarHBondContact O-N 3.09Å; C213-A215 PolarHBondContact SG-N 3.35Å; A215-Q291 HydrophobicContact CB-CG 4.05Å
216C95.5Very high95.5Very high52 Ų5248.7 Ų48.735%0.35129%0.293SS..THydrogen-bonded Turntrans-113.3-4.2-177700000114.6G218 C284 C287C216-G218 PolarHBondContact O-N 3.07Å; C216-G218 PolarHBondContact SG-N 3.23Å; C216-G218 VanDerWaalsContact SG-N 3.43Å; C216-C284 VanDerWaalsContact SG-SG 3.6Å; C216-C287 VanDerWaalsContact CB-SG 3.54Å; C216-C287 PolarHBondContact SG-SG 3.33Å
217H94.3Very high95.5Very high137 Ų13750.6 Ų50.663%0.63430%0.299SS*.  trans59.99.9-175.3-52.3-63.2000115.4C213 V219C213-H217 WeakPolarHBondContact O-CA 3.43Å; C213-H217 PolarHBondContact O-N 2.95Å; H217-V219 PolarHBondContact O-N 3.34Å
218G94.5Very high95.5Very high26 Ų2650.7 Ų50.727%0.26830%0.299SS..  trans-62.5134.7170.500000110.9C213 C216C213-G218 PolarHBondContact N-O 3.05Å; C216-G218 PolarHBondContact O-N 3.07Å; C216-G218 PolarHBondContact SG-N 3.23Å; C216-G218 VanDerWaalsContact SG-N 3.43Å
219V94.8Very high95.5Very high77 Ų7750.6 Ų50.647%0.46730%0.299SS..EExtended strand (participates in β ladder)trans-105.6131179.6-175.30000109.1D210 V211 T212 H217D210-V219 HydrophobicContact CB-CG1 3.92Å; V211-V219 WeakPolarHBondContact O-CA 3.48Å; T212-V219 HydrophobicContact CG2-CG2 4.12Å; H217-V219 PolarHBondContact O-N 3.34Å
220S94.8Very high95.5Very high77 Ų7751.5 Ų51.554%0.53831%0.305SS..EExtended strand (participates in β ladder)trans-107.5120.9166.9-60.50000108.7V211V211-S220 PolarHBondContact N-O 3.5Å; V211-S220 PolarHBondContact O-N 2.9Å
221T95.7Very high95.5Very high73 Ų7351.1 Ų51.145%0.44830%0.303SS..EExtended strand (participates in β ladder)trans-110.1128.9-176.8-62.80000109.9Q208 S209 D210Q208-T221 HydrophobicContact CG-CG2 3.56Å; S209-T221 WeakPolarHBondContact O-CA 3.17Å; D210-T221 WeakPolarHBondContact OD1-CB 3.22Å; D210-T221 WeakPolarHBondContact OD1-CG2 3.44Å; D210-T221 PolarHBondContact OD1-OG1 3.33Å
222T95.5Very high95.3Very high72 Ų7252.1 Ų52.144%0.44231%0.308SS..EExtended strand (participates in β ladder)trans-121.8144169.661.20000109.4Q208 S209Q208-T222 CarbonylContact C-O 3.54Å; Q208-T222 WeakPolarHBondContact CA-O 3.45Å; S209-T222 PolarHBondContact N-O 3.49Å; S209-T222 PolarHBondContact O-N 3.26Å
223I95.3Very high95.1Very high75 Ų7550.7 Ų50.739%0.38530%0.299SS..EExtended strand (participates in β ladder)trans-121.8117.7177.4-59.5169000107.7L207 Q208 N300L207-I223 WeakPolarHBondContact O-CA 3.24Å; Q208-I223 HydrophobicContact CB-CG1 4.28Å; Q208-I223 HydrophobicContact CG-CG1 4.37Å; I223-N300 HydrophobicContact CD1-CB 4.39Å; I223-N300 HydrophobicContact CG2-CB 4.39Å
224D93.9Very high94.4Very high84 Ų8451.2 Ų51.245%0.44930%0.302SS..EExtended strand (participates in β ladder)trans-114.3138-178-62.1-51.4000110L207L207-D224 PolarHBondContact N-O 2.84Å; L207-D224 PolarHBondContact O-N 3.48Å
225P94.2Very high93.4Very high65 Ų6549.9 Ų49.942%0.42231%0.309SS..EExtended strand (participates in β ladder)trans-66.4142.8174.728.4-33.5000110.7T204 G205T204-P225 HydrophobicContact CG2-CB 3.71Å; G205-P225 WeakPolarHBondContact O-CA 3.16Å
226C94.8Very high92.2Very high20 Ų2048 Ų4814%0.13529%0.292CS..EExtended strand (participates in β ladder)trans-138.5137.3176.363.70000111.6G205 L207G205-C226 PolarHBondContact N-O 2.86Å; G205-C226 PolarHBondContact O-N 2.91Å; L207-C226 HydrophobicContact CB-CB 4.44Å
227W95.6Very high90.7Very high45 Ų4549.7 Ų49.717%0.1730%0.304CS..SBendtrans-93.7-22172.6-65.3-24.9000113.3I170 L173 D174 H177 T204I170-W227 HydrophobicContact CD1-CB 4.41Å; I170-W227 HydrophobicContact CD1-CE3 4.48Å; I170-W227 HydrophobicContact CG2-CE3 4.14Å; I170-W227 HydrophobicContact CG2-CZ3 4.16Å; I170-W227 WeakPolarHBondContact O-CZ3 3.19Å; L173-W227 HydrophobicContact CB-CD2 4.04Å; L173-W227 HydrophobicContact CB-CE3 3.65Å; L173-W227 HydrophobicContact CB-CZ3 3.94Å; L173-W227 HydrophobicContact CD1-CB 3.93Å; L173-W227 HydrophobicContact CD1-CD2 4.3Å; L173-W227 HydrophobicContact CD1-CE3 4.29Å; L173-W227 HydrophobicContact CD1-CG 4.17Å; D174-W227 HydrophobicContact CB-CH2 3.6Å; D174-W227 HydrophobicContact CB-CZ3 3.68Å; H177-W227 HydrophobicContact CB-CZ2 4.24Å; H177-W227 AromaticContact CD2-CZ2 3.97Å; T204-W227 PolarHBondContact OG1-NE1 2.59Å
228D97Very high88.9Confident34 Ų3446 Ų4618%0.18229%0.291CS..  trans-144.1165.2179.177.6-70.1000111.6H166 I170 S230 C307H166-D228 IonicContact CD2-OD2 2.84Å; H166-D228 IonicContact CE1-OD2 2.73Å; H166-D228 VanDerWaalsContact NE2-CG 3.29Å; H166-D228 IonicContact NE2-OD1 2.96Å; H166-D228 IonicContact NE2-OD2 3.74Å; H166-D228 PolarHBondContact NE2-OD2 3.49Å; I170-D228 HydrophobicContact CD1-CB 4.31Å; I170-D228 WeakPolarHBondContact CD1-OD1 3.3Å; D228-S230 PolarHBondContact OD2-OG 3.13Å; D228-C307 CarbonylContact C-O 3.53Å; D228-C307 VanDerWaalsContact CA-O 3.29Å; D228-C307 WeakPolarHBondContact CA-O 3.3Å; D228-C307 HydrophobicContact CB-CB 4.06Å
229I97.5Very high86.8Confident12 Ų1248.9 Ų48.96%0.06231%0.307CS..EExtended strand (participates in β ladder)trans-119.2104.7171.2-60.6167.3000107.6L231 L267 F270 M299 C307 F308 H309 M335I229-L231 HydrophobicContact CG2-CD2 3.63Å; I229-L231 HydrophobicContact CG2-CG 4.09Å; I229-L267 HydrophobicContact CG2-CD2 4.33Å; I229-F270 HydrophobicContact CG2-CD1 4.07Å; I229-F270 HydrophobicContact CG2-CD2 4.42Å; I229-F270 HydrophobicContact CG2-CE1 3.87Å; I229-F270 HydrophobicContact CG2-CE2 4.24Å; I229-F270 HydrophobicContact CG2-CG 4.34Å; I229-F270 HydrophobicContact CG2-CZ 3.97Å; I229-M299 HydrophobicContact CD1-CE 3.86Å; I229-M299 HydrophobicContact CD1-SD 3.68Å; I229-M299 HydrophobicContact CG1-SD 4.49Å; I229-C307 PolarHBondContact N-O 3.22Å; I229-F308 HydrophobicContact CB-CD1 3.93Å; I229-F308 HydrophobicContact CB-CE1 4.26Å; I229-F308 HydrophobicContact CD1-CD1 4.24Å; I229-F308 HydrophobicContact CD1-CE1 3.69Å; I229-F308 HydrophobicContact CG2-CD1 4.33Å; I229-H309 PolarHBondContact O-N 3.37Å; I229-M335 HydrophobicContact CD1-CE 4.46Å
230S96.9Very high84.6Confident27 Ų2749.3 Ų49.319%0.18930%0.303CS..EExtended strand (participates in β ladder)trans-86111.5177.6-73.40000111.4D228 H309 K311D228-S230 PolarHBondContact OD2-OG 3.13Å; S230-H309 CarbonylContact C-O 3.59Å; S230-H309 WeakPolarHBondContact CA-O 3.35Å; S230-H309 PolarHBondContact OG-ND1 2.9Å; S230-K311 WeakPolarHBondContact O-CE 3.24Å
231L96.7Very high82.3Confident0 Ų054.8 Ų54.80%031%0.312CS..EExtended strand (participates in β ladder)trans-103134.8-170.4-61.5172.6000112.7I229 L263 C266 L267 F270 F308 H309 F310 K311I229-L231 HydrophobicContact CG2-CD2 3.63Å; I229-L231 HydrophobicContact CG2-CG 4.09Å; L231-L263 HydrophobicContact CD1-CD1 3.45Å; L231-L263 VanDerWaalsContact CD1-CD1 3.45Å; L231-C266 HydrophobicContact CB-CB 4.2Å; L231-C266 HydrophobicContact CD1-CB 3.94Å; L231-C266 HydrophobicContact CD2-CB 4.5Å; L231-C266 HydrophobicContact CG-CB 4.45Å; L231-L267 HydrophobicContact CD1-CD2 4.28Å; L231-L267 HydrophobicContact CD1-CG 4.33Å; L231-L267 HydrophobicContact CD2-CD2 3.97Å; L231-L267 HydrophobicContact CD2-CG 4.48Å; L231-F270 HydrophobicContact CD2-CB 3.67Å; L231-F270 HydrophobicContact CD2-CD2 4.19Å; L231-F270 HydrophobicContact CD2-CG 3.92Å; L231-F308 HydrophobicContact CD1-CB 4.36Å; L231-F308 HydrophobicContact CD1-CD1 4.15Å; L231-H309 PolarHBondContact N-O 2.81Å; L231-F310 HydrophobicContact CB-CD1 4.14Å; L231-F310 HydrophobicContact CD1-CD1 4.31Å; L231-F310 HydrophobicContact CD1-CE1 3.96Å; L231-K311 PolarHBondContact O-N 3.34Å
232D92.8Very high79.8Confident48 Ų4856.3 Ų56.326%0.25732%0.323SS..  trans-80.4141.6175.7-57.4-54.9000112K311D232-K311 WeakPolarHBondContact OD1-CD 3.23Å; D232-K311 IonicContact OD1-NZ 2.63Å; D232-K311 PolarHBondContact OD1-NZ 3.02Å; D232-K311 IonicContact OD2-NZ 3.74Å
233L90.4Very high77.2Confident1 Ų158.2 Ų58.21%0.00533%0.328CS..  trans-104.6155.9-173.9-64.2-172.6000114.7G235 S236 F240 F310 R312 I323 I327L233-G235 PolarHBondContact O-N 2.78Å; L233-S236 WeakPolarHBondContact O-CB 3.37Å; L233-S236 PolarHBondContact O-N 3.23Å; L233-F240 WeakPolarHBondContact O-CE2 3.48Å; L233-F310 HydrophobicContact CD1-CB 4.16Å; L233-F310 HydrophobicContact CD2-CB 4Å; L233-F310 HydrophobicContact CD2-CD1 3.52Å; L233-F310 HydrophobicContact CD2-CE1 4.28Å; L233-F310 HydrophobicContact CD2-CG 4.02Å; L233-F310 HydrophobicContact CG-CB 4.32Å; L233-R312 HydrophobicContact CD1-CB 4.48Å; L233-R312 HydrophobicContact CD1-CG 3.58Å; L233-I323 HydrophobicContact CB-CD1 4.11Å; L233-I323 HydrophobicContact CB-CG2 4.02Å; L233-I323 HydrophobicContact CD1-CB 4.17Å; L233-I323 HydrophobicContact CD1-CG2 3.93Å; L233-I327 HydrophobicContact CD2-CD1 3.83Å; L233-I327 HydrophobicContact CD2-CG1 3.68Å
234P83.2Confident74.2Confident16 Ų1659.6 Ų59.610%0.10434%0.344CS..THydrogen-bonded Turntrans-46.2129.1165.3-23.430.5000114S236 F240 T261 T325 I327P234-S236 VanDerWaalsContact C-N 3.34Å; P234-F240 HydrophobicContact CB-CD1 4.46Å; P234-F240 HydrophobicContact CB-CE1 3.8Å; P234-F240 HydrophobicContact CB-CE2 4.16Å; P234-F240 HydrophobicContact CB-CZ 3.67Å; P234-F240 HydrophobicContact CG-CE1 3.82Å; P234-F240 HydrophobicContact CG-CE2 4.3Å; P234-F240 HydrophobicContact CG-CZ 3.5Å; P234-F240 VanDerWaalsContact CG-CZ 3.5Å; P234-T261 HydrophobicContact CG-CG2 3.59Å; P234-T261 WeakPolarHBondContact CG-OG1 3.05Å; P234-T325 HydrophobicContact CB-CG2 4.17Å; P234-T325 HydrophobicContact CG-CG2 4.42Å; P234-T325 PolarHBondContact O-OG1 3.39Å; P234-I327 HydrophobicContact CG-CD1 4.13Å
235G73.5Confident71.6Confident48 Ų4862.5 Ų62.550%0.49537%0.368SS..THydrogen-bonded Turntrans84.82.5-17800000114L233 R321L233-G235 PolarHBondContact O-N 2.78Å; G235-R321 PolarHBondContact O-NH2 2.94Å
236S70.2Confident68.6Low19 Ų1962 Ų6213%0.13338%0.375CS..  trans-58.5153.6170.91760000111.9L233 P234 T238 E314L233-S236 WeakPolarHBondContact O-CB 3.37Å; L233-S236 PolarHBondContact O-N 3.23Å; P234-S236 VanDerWaalsContact C-N 3.34Å; S236-T238 WeakPolarHBondContact CB-OG1 3.48Å; S236-T238 PolarHBondContact O-N 2.63Å; S236-T238 PolarHBondContact OG-N 2.77Å; S236-T238 PolarHBondContact OG-OG1 3.44Å; S236-T238 VanDerWaalsContact OG-OG1 3.11Å; S236-E314 WeakPolarHBondContact CA-OE1 3.46Å; S236-E314 WeakPolarHBondContact CB-OE1 3.47Å; S236-E314 PolarHBondContact OG-OE1 3.44Å
237C62.2Low65.5Low88 Ų8872.5 Ų72.560%0.59541%0.411SS*.SBendtrans-58.5-15.3171.8-69.70000113.1E314C237-E314 PolarHBondContact N-OE1 3.23Å
238T57.2Low62.4Low59 Ų5979.2 Ų79.236%0.36245%0.445SS..SBendtrans-72.5121.6170.559.60000110.2S236 F240 R269S236-T238 WeakPolarHBondContact CB-OG1 3.48Å; S236-T238 PolarHBondContact O-N 2.63Å; S236-T238 PolarHBondContact OG-N 2.77Å; S236-T238 PolarHBondContact OG-OG1 3.44Å; S236-T238 VanDerWaalsContact OG-OG1 3.11Å; T238-F240 PolarHBondContact O-N 2.72Å; T238-R269 PolarHBondContact O-NH2 3.21Å; T238-R269 PolarHBondContact OG1-NH1 3.46Å; T238-R269 PolarHBondContact OG1-NH2 2.9Å; T238-R269 VanDerWaalsContact OG1-NH2 3.15Å
239S50.9Low59.3Low87 Ų8782.7 Ų82.761%0.60847%0.472SS*.  trans-41.2107.5-174.9-57.20000113W241 R269S239-W241 VanDerWaalsContact C-N 3.32Å; S239-W241 PolarHBondContact O-N 3.29Å; S239-W241 VanDerWaalsContact O-N 3.09Å; S239-R269 PolarHBondContact O-NH2 2.94Å
240F48.9Very low56.6Low85 Ų8586.7 Ų86.737%0.37350%0.5SS..  trans-78.686.2168.5-118.6-97.9000107.3L233 P234 T238 P242 R269L233-F240 WeakPolarHBondContact O-CE2 3.48Å; P234-F240 HydrophobicContact CB-CD1 4.46Å; P234-F240 HydrophobicContact CB-CE1 3.8Å; P234-F240 HydrophobicContact CB-CE2 4.16Å; P234-F240 HydrophobicContact CB-CZ 3.67Å; P234-F240 HydrophobicContact CG-CE1 3.82Å; P234-F240 HydrophobicContact CG-CE2 4.3Å; P234-F240 HydrophobicContact CG-CZ 3.5Å; P234-F240 VanDerWaalsContact CG-CZ 3.5Å; T238-F240 PolarHBondContact O-N 2.72Å; F240-P242 VanDerWaalsContact O-CD 3.24Å; F240-P242 WeakPolarHBondContact O-CD 3.34Å; F240-R269 VanDerWaalsContact CE2-CZ 3.49Å
241W46.5Very low54Low193 Ų19391.5 Ų91.573%0.73153%0.529SS*.  trans-70115.9162.7-76.679.9000106.7S239 M243S239-W241 VanDerWaalsContact C-N 3.32Å; S239-W241 PolarHBondContact O-N 3.29Å; S239-W241 VanDerWaalsContact O-N 3.09Å; W241-M243 PolarHBondContact O-N 3.17Å
242P43Very low51.2Low105 Ų10597.3 Ų97.368%0.68256%0.56SS**  trans-54.8130.9169.521-28.4000107.3F240 S244F240-P242 VanDerWaalsContact O-CD 3.24Å; F240-P242 WeakPolarHBondContact O-CD 3.34Å; P242-S244 PolarHBondContact O-N 2.65Å
243M40.5Very low48.4Very low111 Ų11199.5 Ų99.555%0.54759%0.593SS.*  trans-49.3122166.7-76.2-164.4-112.800106.1W241 D265W241-M243 PolarHBondContact O-N 3.17Å; M243-D265 HydrophobicContact CE-CB 4.1Å; M243-D265 WeakPolarHBondContact CE-OD1 3.44Å
244S32.6Very low46.1Very low104 Ų104105.3 Ų105.373%0.72762%0.62SS**  trans-45.8129.6175-60.80000108P242 G246P242-S244 PolarHBondContact O-N 2.65Å; S244-G246 PolarHBondContact O-N 3.33Å
245P38.5Very low44.2Very low145 Ų145110.3 Ų110.394%0.94266%0.656SS**SBendtrans-70.579.5170.827.8-29.9000107.1
246G31.1Very low42.8Very low55 Ų55112.9 Ų112.957%0.56765%0.654SS**  trans-146.864-16800000109.8S244 E248S244-G246 PolarHBondContact O-N 3.33Å; G246-E248 PolarHBondContact O-N 3.17Å
247R30.1Very low42Very low240 Ų240117.3 Ų117.391%0.90668%0.676SS**  trans39.980138.8-154.1-178.1-163.4-154.34.3116.2
248E30.2Very low41.8Very low187 Ų187119.2 Ų119.287%0.87469%0.687SS**  trans-120.3113.8143.7-81.2-175.9174.600107.4G246 S250G246-E248 PolarHBondContact O-N 3.17Å; E248-S250 PolarHBondContact O-N 3.28Å
249S33.2Very low42.8Very low107 Ų107120.4 Ų120.475%0.74871%0.711SS**  trans-51.7119.6-178.2-560000110.7V251S249-V251 PolarHBondContact O-N 2.81Å
250S40.2Very low44.5Very low95 Ų95119.2 Ų119.266%0.66470%0.697SS**  trans-57.9106.2169.7-60.40000109.7E248E248-S250 PolarHBondContact O-N 3.28Å
251V41.6Very low46.6Very low129 Ų129116.7 Ų116.778%0.78269%0.689SS**SBendtrans-75.6117.2151.4-173.40000104.5S249S249-V251 PolarHBondContact O-N 2.81Å
252N38.9Very low48.9Very low122 Ų122108.4 Ų108.465%0.65266%0.66SS**SBendtrans111.8101.4178.6-54.5-12.3000112.3E254N252-E254 PolarHBondContact O-N 2.98Å
253G32.9Very low51.5Low93 Ų93103.4 Ų103.496%0.95963%0.627SS**  trans-73.859.7-177.700000113.9
254E42.4Very low54.2Low124 Ų124100 Ų10058%0.57961%0.612SS**  trans-84.1138.3161.2-74.4-176160.800109.8N252 H256N252-E254 PolarHBondContact O-N 2.98Å; E254-H256 VanDerWaalsContact C-N 3.25Å; E254-H256 PolarHBondContact O-N 3.21Å
255S42.6Very low57.1Low121 Ų12196.3 Ų96.385%0.84658%0.584SS**  trans-63.477.5-17845.10000111.9I257S255-I257 PolarHBondContact O-N 2.99Å
256H45.4Very low59.9Low101 Ų10189.6 Ų89.647%0.46854%0.541SS..  trans-70.1112.1171.1-86.1-83.2000109.8E254 P258E254-H256 VanDerWaalsContact C-N 3.25Å; E254-H256 PolarHBondContact O-N 3.21Å; H256-P258 WeakPolarHBondContact O-CD 3.43Å
257I53.6Low63Low113 Ų11387.1 Ų87.158%0.57952%0.515SS*.  trans-77116.8162.6-58.6170.1000106.7S255 G259 I260S255-I257 PolarHBondContact O-N 2.99Å; I257-G259 PolarHBondContact O-N 3.43Å; I257-I260 HydrophobicContact CB-CD1 3.82Å; I257-I260 HydrophobicContact CB-CG1 4.2Å; I257-I260 HydrophobicContact CD1-CD1 3.8Å; I257-I260 HydrophobicContact CG1-CD1 4.39Å; I257-I260 HydrophobicContact CG2-CD1 3.86Å; I257-I260 HydrophobicContact CG2-CG1 4.11Å; I257-I260 PolarHBondContact O-N 3.45Å
258P58.2Low66.2Low128 Ų12880.9 Ų80.983%0.83149%0.491SS*.THydrogen-bonded Turntrans-57.1123.6-179.9-20.931.2000110.8H256H256-P258 WeakPolarHBondContact O-CD 3.43Å
259G77.3Confident69.1Low84 Ų8474.4 Ų74.487%0.86646%0.459SS*.THydrogen-bonded Turntrans102.8-11.5175.100000116.3I257I257-G259 PolarHBondContact O-N 3.43Å
260I86.6Confident72.1Confident61 Ų6171.2 Ų71.231%0.31343%0.432SS..  trans-85129.8172.3-58-176.2000109.2I257 Y326I257-I260 HydrophobicContact CB-CD1 3.82Å; I257-I260 HydrophobicContact CB-CG1 4.2Å; I257-I260 HydrophobicContact CD1-CD1 3.8Å; I257-I260 HydrophobicContact CG1-CD1 4.39Å; I257-I260 HydrophobicContact CG2-CD1 3.86Å; I257-I260 HydrophobicContact CG2-CG1 4.11Å; I257-I260 PolarHBondContact O-N 3.45Å; I260-Y326 HydrophobicContact CG2-CD1 3.98Å; I260-Y326 HydrophobicContact CG2-CE1 4Å
261T93.2Very high74.8Confident32 Ų3267.4 Ų67.420%0.19640%0.404CS..  trans-79.8133.3174.3-58.20000110.1P234 D265 I327 S328P234-T261 HydrophobicContact CG-CG2 3.59Å; P234-T261 WeakPolarHBondContact CG-OG1 3.05Å; T261-D265 HydrophobicContact CG2-CB 4.16Å; T261-I327 HydrophobicContact CG2-CD1 3.85Å; T261-I327 WeakPolarHBondContact O-CA 3.48Å; T261-S328 PolarHBondContact O-N 3.31Å
262T95.9Very high77.3Confident20 Ų2066.5 Ų66.512%0.12339%0.387CS..BIsolated β-bridgetrans-105.9163.7178.766.40000112.5T264 D265 C266 S328T262-T264 PolarHBondContact O-N 3.15Å; T262-T264 PolarHBondContact OG1-N 3Å; T262-D265 WeakPolarHBondContact CB-OD2 3.48Å; T262-D265 PolarHBondContact N-OD2 3.46Å; T262-D265 WeakPolarHBondContact O-CB 3.47Å; T262-D265 PolarHBondContact O-N 3.23Å; T262-D265 VanDerWaalsContact O-N 3.12Å; T262-D265 PolarHBondContact OG1-N 3.44Å; T262-D265 PolarHBondContact OG1-OD2 2.84Å; T262-C266 PolarHBondContact O-N 3.11Å; T262-C266 PolarHBondContact O-SG 3.32Å; T262-S328 CarbonylContact C-O 3.55Å; T262-S328 WeakPolarHBondContact CA-O 3.15Å
263L97Very high79.9Confident0 Ų064 Ų640%038%0.377CS..Hα-helixtrans-53.5-42.3167.4173.860.4000110.9L231 D265 C266 L267 F308 F310 S328 F329 L333 L416 Y418L231-L263 HydrophobicContact CD1-CD1 3.45Å; L231-L263 VanDerWaalsContact CD1-CD1 3.45Å; L263-D265 VanDerWaalsContact C-N 3.32Å; L263-D265 PolarHBondContact O-N 3.24Å; L263-C266 WeakPolarHBondContact O-CB 3.45Å; L263-C266 PolarHBondContact O-N 3.47Å; L263-C266 VanDerWaalsContact O-N 3.14Å; L263-L267 HydrophobicContact CD1-CD1 4.24Å; L263-L267 HydrophobicContact CD1-CG 4.33Å; L263-L267 HydrophobicContact CG-CD1 4.06Å; L263-L267 WeakPolarHBondContact O-CG 3.34Å; L263-L267 PolarHBondContact O-N 3.13Å; L263-F308 HydrophobicContact CD1-CB 4.27Å; L263-F308 HydrophobicContact CD1-CD1 4.34Å; L263-F308 HydrophobicContact CD1-CG 4.14Å; L263-F308 HydrophobicContact CD2-CD2 4.3Å; L263-F310 HydrophobicContact CB-CZ 4.37Å; L263-F310 HydrophobicContact CD1-CE1 3.93Å; L263-F310 HydrophobicContact CD1-CZ 3.81Å; L263-S328 PolarHBondContact N-O 3.31Å; L263-F329 HydrophobicContact CB-CB 4.04Å; L263-F329 HydrophobicContact CD2-CB 4.24Å; L263-L333 HydrophobicContact CD2-CD1 4.32Å; L263-L333 HydrophobicContact CD2-CD2 3.88Å; L263-L416 HydrophobicContact CD1-CD1 4.43Å; L263-L416 HydrophobicContact CD2-CD1 3.91Å; L263-Y418 HydrophobicContact CD2-CE2 3.9Å
264T96.2Very high82.8Confident38 Ų3864.6 Ų64.623%0.23336%0.355CS..Hα-helixtrans-60.5-39.7176.7-510000111.8T262 L267 R268 F338T262-T264 PolarHBondContact O-N 3.15Å; T262-T264 PolarHBondContact OG1-N 3Å; T264-L267 PolarHBondContact O-N 3.08Å; T264-R268 WeakPolarHBondContact O-CB 3.34Å; T264-R268 PolarHBondContact O-N 3.49Å; T264-F338 HydrophobicContact CG2-CZ 3.95Å
265D95.1Very high85.3Confident27 Ų2763 Ų6314%0.14435%0.347CS..Hα-helixtrans-67-38.6174.9-60.6-46.3000111.9M243 T261 T262 L263 R268 R269M243-D265 HydrophobicContact CE-CB 4.1Å; M243-D265 WeakPolarHBondContact CE-OD1 3.44Å; T261-D265 HydrophobicContact CG2-CB 4.16Å; T262-D265 WeakPolarHBondContact CB-OD2 3.48Å; T262-D265 PolarHBondContact N-OD2 3.46Å; T262-D265 WeakPolarHBondContact O-CB 3.47Å; T262-D265 PolarHBondContact O-N 3.23Å; T262-D265 VanDerWaalsContact O-N 3.12Å; T262-D265 PolarHBondContact OG1-N 3.44Å; T262-D265 PolarHBondContact OG1-OD2 2.84Å; L263-D265 VanDerWaalsContact C-N 3.32Å; L263-D265 PolarHBondContact O-N 3.24Å; D265-R268 PolarHBondContact O-N 2.85Å; D265-R268 IonicContact OD1-CZ 3.3Å; D265-R268 IonicContact OD1-NH1 3.66Å; D265-R268 PolarHBondContact OD1-NH1 3.08Å; D265-R268 IonicContact OD1-NH2 3.87Å; D265-R269 PolarHBondContact O-N 2.72Å
266C96.3Very high87.6Confident5 Ų559.5 Ų59.53%0.03432%0.319CS..Hα-helixtrans-63.5-43.9175.3-61.10000111.2L231 T262 L263 R269 F270 F310L231-C266 HydrophobicContact CB-CB 4.2Å; L231-C266 HydrophobicContact CD1-CB 3.94Å; L231-C266 HydrophobicContact CD2-CB 4.5Å; L231-C266 HydrophobicContact CG-CB 4.45Å; T262-C266 PolarHBondContact O-N 3.11Å; T262-C266 PolarHBondContact O-SG 3.32Å; L263-C266 WeakPolarHBondContact O-CB 3.45Å; L263-C266 PolarHBondContact O-N 3.47Å; L263-C266 VanDerWaalsContact O-N 3.14Å; C266-R269 WeakPolarHBondContact O-CB 3.28Å; C266-R269 PolarHBondContact O-N 3.42Å; C266-F270 WeakPolarHBondContact O-CB 3.43Å; C266-F270 PolarHBondContact O-N 2.82Å; C266-F310 HydrophobicContact CB-CE1 4.47Å
267L97.1Very high89.7Confident2 Ų255.6 Ų55.61%0.0131%0.306CS..Hα-helixtrans-65.8-40.2175.9-73.2166.6000112.4I229 L231 L263 T264 R269 F270 T271 F308 L333 M335 F338I229-L267 HydrophobicContact CG2-CD2 4.33Å; L231-L267 HydrophobicContact CD1-CD2 4.28Å; L231-L267 HydrophobicContact CD1-CG 4.33Å; L231-L267 HydrophobicContact CD2-CD2 3.97Å; L231-L267 HydrophobicContact CD2-CG 4.48Å; L263-L267 HydrophobicContact CD1-CD1 4.24Å; L263-L267 HydrophobicContact CD1-CG 4.33Å; L263-L267 HydrophobicContact CG-CD1 4.06Å; L263-L267 WeakPolarHBondContact O-CG 3.34Å; L263-L267 PolarHBondContact O-N 3.13Å; T264-L267 PolarHBondContact O-N 3.08Å; L267-R269 VanDerWaalsContact C-N 3.27Å; L267-R269 PolarHBondContact O-N 2.87Å; L267-F270 PolarHBondContact O-N 3.22Å; L267-T271 PolarHBondContact O-N 3.08Å; L267-T271 PolarHBondContact O-OG1 3.22Å; L267-F308 HydrophobicContact CD1-CE1 4.12Å; L267-F308 HydrophobicContact CD1-CZ 4.4Å; L267-F308 HydrophobicContact CD2-CD1 4.05Å; L267-F308 HydrophobicContact CD2-CE1 3.61Å; L267-F308 HydrophobicContact CG-CE1 4.39Å; L267-L333 HydrophobicContact CD1-CD1 4.31Å; L267-L333 HydrophobicContact CD1-CD2 4.24Å; L267-M335 HydrophobicContact CD1-SD 3.86Å; L267-M335 HydrophobicContact CD2-CE 4.39Å; L267-F338 HydrophobicContact CB-CD1 4.05Å; L267-F338 HydrophobicContact CB-CD2 4.14Å; L267-F338 HydrophobicContact CB-CE1 3.64Å; L267-F338 HydrophobicContact CB-CE2 3.75Å; L267-F338 HydrophobicContact CB-CG 4.28Å; L267-F338 HydrophobicContact CB-CZ 3.47Å; L267-F338 VanDerWaalsContact CB-CZ 3.47Å; L267-F338 HydrophobicContact CD1-CD2 4.12Å; L267-F338 HydrophobicContact CD1-CE2 3.71Å; L267-F338 HydrophobicContact CD1-CZ 4.22Å; L267-F338 HydrophobicContact CG-CE2 4.34Å; L267-F338 HydrophobicContact CG-CZ 4.49Å
268R95.5Very high91.4Very high110 Ų11053.9 Ų53.942%0.41530%0.304SS..Hα-helixtrans-61.7-38.2174.3-166.8-175.8-59.3118.25.2111.2T264 D265 T271 R272 F338T264-R268 WeakPolarHBondContact O-CB 3.34Å; T264-R268 PolarHBondContact O-N 3.49Å; D265-R268 PolarHBondContact O-N 2.85Å; D265-R268 IonicContact OD1-CZ 3.3Å; D265-R268 IonicContact OD1-NH1 3.66Å; D265-R268 PolarHBondContact OD1-NH1 3.08Å; D265-R268 IonicContact OD1-NH2 3.87Å; R268-T271 PolarHBondContact O-OG1 3.45Å; R268-R272 WeakPolarHBondContact O-CB 3.3Å; R268-R272 PolarHBondContact O-N 3.47Å; R268-F338 HydrophobicContact CB-CE1 4.23Å
269R92.8Very high92.9Very high50 Ų5053.7 Ų53.719%0.18931%0.306CS..Hα-helixtrans-67.7-46.3174.2-172.7-178.9-172.9-148.35.6111.6T238 S239 F240 D265 C266 L267 T271 R272T238-R269 PolarHBondContact O-NH2 3.21Å; T238-R269 PolarHBondContact OG1-NH1 3.46Å; T238-R269 PolarHBondContact OG1-NH2 2.9Å; T238-R269 VanDerWaalsContact OG1-NH2 3.15Å; S239-R269 PolarHBondContact O-NH2 2.94Å; F240-R269 VanDerWaalsContact CE2-CZ 3.49Å; D265-R269 PolarHBondContact O-N 2.72Å; C266-R269 WeakPolarHBondContact O-CB 3.28Å; C266-R269 PolarHBondContact O-N 3.42Å; L267-R269 VanDerWaalsContact C-N 3.27Å; L267-R269 PolarHBondContact O-N 2.87Å; R269-T271 PolarHBondContact O-N 3.31Å; R269-R272 WeakPolarHBondContact O-CB 3.48Å; R269-R272 PolarHBondContact O-N 2.88Å
270F96Very high93.7Very high41 Ų4151.8 Ų51.818%0.1828%0.282CS..Hα-helixtrans-58.6-37.6178.9177.4-99.1000112.3L207 I229 L231 C266 L267 L297L207-F270 HydrophobicContact CD1-CE1 3.71Å; L207-F270 HydrophobicContact CD1-CZ 3.9Å; L207-F270 HydrophobicContact CD2-CZ 4.13Å; I229-F270 HydrophobicContact CG2-CD1 4.07Å; I229-F270 HydrophobicContact CG2-CD2 4.42Å; I229-F270 HydrophobicContact CG2-CE1 3.87Å; I229-F270 HydrophobicContact CG2-CE2 4.24Å; I229-F270 HydrophobicContact CG2-CG 4.34Å; I229-F270 HydrophobicContact CG2-CZ 3.97Å; L231-F270 HydrophobicContact CD2-CB 3.67Å; L231-F270 HydrophobicContact CD2-CD2 4.19Å; L231-F270 HydrophobicContact CD2-CG 3.92Å; C266-F270 WeakPolarHBondContact O-CB 3.43Å; C266-F270 PolarHBondContact O-N 2.82Å; L267-F270 PolarHBondContact O-N 3.22Å; F270-L297 HydrophobicContact CD2-CD1 4.48Å; F270-L297 HydrophobicContact CE1-CB 4.25Å; F270-L297 HydrophobicContact CE1-CD1 4.31Å; F270-L297 HydrophobicContact CE2-CD1 3.85Å; F270-L297 HydrophobicContact CZ-CB 4.49Å; F270-L297 HydrophobicContact CZ-CD1 3.76Å
271T96.1Very high94Very high15 Ų1553.3 Ų53.39%0.09229%0.286CS..THydrogen-bonded Turntrans-93.74.7-179.3560000114.7L267 R268 R269 Q296 L297 F338L267-T271 PolarHBondContact O-N 3.08Å; L267-T271 PolarHBondContact O-OG1 3.22Å; R268-T271 PolarHBondContact O-OG1 3.45Å; R269-T271 PolarHBondContact O-N 3.31Å; T271-Q296 VanDerWaalsContact O-CG 3.27Å; T271-Q296 WeakPolarHBondContact O-CG 3.46Å; T271-Q296 PolarHBondContact O-NE2 3.29Å; T271-L297 WeakPolarHBondContact CA-O 3.36Å; T271-L297 VanDerWaalsContact CB-O 3.25Å; T271-L297 WeakPolarHBondContact CB-O 3.3Å; T271-L297 WeakPolarHBondContact CG2-O 3.48Å; T271-F338 HydrophobicContact CG2-CB 4.1Å; T271-F338 HydrophobicContact CG2-CD1 4.18Å
272R94.3Very high93.9Very high109 Ų10955 Ų5541%0.41129%0.293SS..SBendtrans-74.6139-179.4-170.2176.364.4-176.71110.4R268 R269 E274R268-R272 WeakPolarHBondContact O-CB 3.3Å; R268-R272 PolarHBondContact O-N 3.47Å; R269-R272 WeakPolarHBondContact O-CB 3.48Å; R269-R272 PolarHBondContact O-N 2.88Å; R272-E274 PolarHBondContact O-N 2.93Å
273P94.4Very high93.9Very high69 Ų6959.6 Ų59.645%0.44831%0.312SS..  trans-58.2131.2167.1-19.529.6000111.2K295 Q296P273-K295 CarbonylContact C-O 3.57Å; P273-K295 WeakPolarHBondContact CA-O 3.22Å; P273-Q296 HydrophobicContact CB-CB 4.35Å; P273-Q296 HydrophobicContact CB-CG 4.48Å; P273-Q296 HydrophobicContact CG-CB 4.37Å; P273-Q296 HydrophobicContact CG-CG 4.05Å
274E93.7Very high93.8Very high107 Ų10760.3 Ų60.350%0.532%0.316SS..EExtended strand (participates in β ladder)trans-120.9143.5173.965.2178.2164.800110.9R272 T294 K295R272-E274 PolarHBondContact O-N 2.93Å; E274-T294 CarbonylContact O-C 3.59Å; E274-T294 WeakPolarHBondContact O-CA 3.24Å; E274-K295 HydrophobicContact CG-CB 4.32Å; E274-K295 PolarHBondContact N-O 3.27Å; E274-K295 PolarHBondContact O-N 3.01Å
275H94Very high93.6Very high90 Ų9061 Ų6142%0.41733%0.332SS..EExtended strand (participates in β ladder)trans-87.9125.6175.3177.476.6000109.4Q214 G277 E292Q214-H275 PolarHBondContact NE2-ND1 3.36Å; Q214-H275 PolarHBondContact OE1-CE1 3.34Å; Q214-H275 PolarHBondContact OE1-ND1 2.86Å; H275-G277 VanDerWaalsContact CD2-CA 3.49Å; H275-G277 WeakPolarHBondContact CD2-CA 3.49Å; H275-G277 PolarHBondContact CD2-N 3.19Å; H275-G277 WeakPolarHBondContact NE2-CA 3.3Å; H275-G277 PolarHBondContact NE2-N 3.07Å; H275-G277 PolarHBondContact O-N 3.43Å; H275-E292 IonicContact CE1-OE2 2.72Å; H275-E292 IonicContact NE2-OE2 3.34Å
276L91.3Very high93.5Very high47 Ų4764.5 Ų64.525%0.24636%0.358CS..  trans-70.7-18.6-175.7-63.8179.4000113.3A280 I282 S293 K295L276-A280 HydrophobicContact CB-CB 4.19Å; L276-I282 HydrophobicContact CD1-CD1 3.4Å; L276-I282 VanDerWaalsContact CD1-CD1 3.4Å; L276-I282 HydrophobicContact CD1-CG1 4.15Å; L276-S293 PolarHBondContact N-O 2.88Å; L276-S293 VanDerWaalsContact N-O 3.09Å; L276-K295 HydrophobicContact CD2-CB 3.9Å; L276-K295 HydrophobicContact CD2-CD 4.5Å; L276-K295 HydrophobicContact CG-CB 4.28Å
277G88.8Confident93.4Very high19 Ų1966.2 Ų66.220%0.19637%0.37CS..  trans83.1163.6-179.900000113.6H275 S279 A280H275-G277 VanDerWaalsContact CD2-CA 3.49Å; H275-G277 WeakPolarHBondContact CD2-CA 3.49Å; H275-G277 PolarHBondContact CD2-N 3.19Å; H275-G277 WeakPolarHBondContact NE2-CA 3.3Å; H275-G277 PolarHBondContact NE2-N 3.07Å; H275-G277 PolarHBondContact O-N 3.43Å; G277-S279 PolarHBondContact O-N 3.16Å; G277-A280 PolarHBondContact O-N 2.83Å
278S89.6Confident93.3Very high77 Ų7772.1 Ų72.154%0.53840%0.397SS..THydrogen-bonded Turntrans-66.9-18.1-175.4-47.60000114.3E292S278-E292 WeakPolarHBondContact CB-OE1 3.31Å; S278-E292 PolarHBondContact OG-OE1 3.19Å
279S90.8Very high93.2Very high124 Ų12469 Ų6987%0.86739%0.392SS*.THydrogen-bonded Turntrans-83.1-16176.854.40000113.8G277G277-S279 PolarHBondContact O-N 3.16Å
280A92.2Very high93.4Very high44 Ų4474 Ų7436%0.36441%0.412SS..SBendtrans-121.440.3-177.300000111.8L276 G277L276-A280 HydrophobicContact CB-CB 4.19Å; G277-A280 PolarHBondContact O-N 2.83Å
281K93Very high93.3Very high93 Ų9374.6 Ų74.640%0.40442%0.415SS..  trans-59.5140.7174.9-66.4-177.2-174-171.10110.7Y290 Q291 E292K281-Y290 HydrophobicContact CB-CD1 4.46Å; K281-Y290 WeakPolarHBondContact O-CD1 3.42Å; K281-Q291 WeakPolarHBondContact CA-O 3.48Å; K281-Q291 WeakPolarHBondContact CB-O 3.47Å; K281-E292 HydrophobicContact CD-CG 4.29Å; K281-E292 HydrophobicContact CG-CG 4.03Å
282I92.4Very high93.3Very high68 Ų6876.5 Ų76.535%0.34942%0.423SS..EExtended strand (participates in β ladder)trans-108.6139.5179.6-64.8175.5000108.8V211 L276 C284 Y290 Q291V211-I282 HydrophobicContact CG1-CD1 3.7Å; L276-I282 HydrophobicContact CD1-CD1 3.4Å; L276-I282 VanDerWaalsContact CD1-CD1 3.4Å; L276-I282 HydrophobicContact CD1-CG1 4.15Å; I282-C284 PolarHBondContact O-N 3.43Å; I282-C284 VanDerWaalsContact O-N 3.1Å; I282-Y290 WeakPolarHBondContact O-CA 3.43Å; I282-Q291 PolarHBondContact N-O 2.86Å; I282-Q291 PolarHBondContact O-N 2.99Å
283K94.9Very high93.4Very high116 Ų11671.4 Ų71.450%0.50441%0.405SS..EExtended strand (participates in β ladder)trans-69.7107.2173.6-171.8179.6-179.9-176.80109Y290K283-Y290 HydrophobicContact CB-CD1 4.21Å; K283-Y290 HydrophobicContact CB-CE1 3.99Å; K283-Y290 HydrophobicContact CB-CE2 4.39Å
284C94.5Very high93.5Very high15 Ų1569.9 Ų69.910%0.10139%0.394CS..  trans-73.6130.7178.41760000110.3C213 C216 I282 S286 C287 Q288 S289 Q291C213-C284 HydrophobicContact CB-CB 4.46Å; C216-C284 VanDerWaalsContact SG-SG 3.6Å; I282-C284 PolarHBondContact O-N 3.43Å; I282-C284 VanDerWaalsContact O-N 3.1Å; C284-S286 VanDerWaalsContact C-N 3.3Å; C284-S286 PolarHBondContact O-N 3.4Å; C284-S286 PolarHBondContact SG-N 2.94Å; C284-C287 HydrophobicContact CB-CB 3.96Å; C284-C287 PolarHBondContact SG-N 2.95Å; C284-Q288 VanDerWaalsContact O-CA 3.29Å; C284-Q288 WeakPolarHBondContact O-CA 3.34Å; C284-Q288 PolarHBondContact O-N 2.96Å; C284-S289 PolarHBondContact N-O 3.49Å; C284-Q291 HydrophobicContact CB-CG 4.21Å
285G92.7Very high93.6Very high54 Ų5468.1 Ų68.156%0.55738%0.384SS*.THydrogen-bonded Turntrans-63.2-32.6177.100000113.7Q288G285-Q288 PolarHBondContact O-NE2 2.86Å
286S93.7Very high93.7Very high99 Ų9965.6 Ų65.669%0.69237%0.373SS*.THydrogen-bonded Turntrans-82.1-41.4178.5-48.50000112.7C284C284-S286 VanDerWaalsContact C-N 3.3Å; C284-S286 PolarHBondContact O-N 3.4Å; C284-S286 PolarHBondContact SG-N 2.94Å
287C94.6Very high94Very high42 Ų4264.8 Ų64.828%0.28437%0.369SS..THydrogen-bonded Turntrans-83-14.3179.7-56.30000113.7C216 C284 S289 Q291C216-C287 VanDerWaalsContact CB-SG 3.54Å; C216-C287 PolarHBondContact SG-SG 3.33Å; C284-C287 HydrophobicContact CB-CB 3.96Å; C284-C287 PolarHBondContact SG-N 2.95Å; C287-S289 WeakPolarHBondContact CB-OG 3.33Å; C287-S289 PolarHBondContact O-N 3.26Å; C287-S289 PolarHBondContact O-OG 3.35Å; C287-Q291 HydrophobicContact CB-CG 4.17Å
288Q93.3Very high94.4Very high126 Ų12664.1 Ų64.159%0.58936%0.361SS*.  trans52.221.8-173.6-67.6-65.4-3100114.7C284 G285C284-Q288 VanDerWaalsContact O-CA 3.29Å; C284-Q288 WeakPolarHBondContact O-CA 3.34Å; C284-Q288 PolarHBondContact O-N 2.96Å; G285-Q288 PolarHBondContact O-NE2 2.86Å
289S95.1Very high94.8Very high44 Ų4460.5 Ų60.531%0.30834%0.336SS..SBendtrans-138.1159.7-176.149.20000110.6C284 C287 Q291C284-S289 PolarHBondContact N-O 3.49Å; C287-S289 WeakPolarHBondContact CB-OG 3.33Å; C287-S289 PolarHBondContact O-N 3.26Å; C287-S289 PolarHBondContact O-OG 3.35Å; S289-Q291 PolarHBondContact O-N 3.5Å; S289-Q291 PolarHBondContact OG-NE2 2.96Å
290Y95.4Very high95Very high156 Ų15658 Ų5861%0.61231%0.313SS*.EExtended strand (participates in β ladder)trans-75.1113.9178.1-75.7-89.4000110.3K281 I282 K283K281-Y290 HydrophobicContact CB-CD1 4.46Å; K281-Y290 WeakPolarHBondContact O-CD1 3.42Å; I282-Y290 WeakPolarHBondContact O-CA 3.43Å; K283-Y290 HydrophobicContact CB-CD1 4.21Å; K283-Y290 HydrophobicContact CB-CE1 3.99Å; K283-Y290 HydrophobicContact CB-CE2 4.39Å
291Q95.2Very high95.1Very high52 Ų5260.2 Ų60.224%0.24331%0.314CS..EExtended strand (participates in β ladder)trans-117.3150.4-176.2-62.8-60-23.900110.8A215 K281 I282 C284 C287 S289 S293A215-Q291 HydrophobicContact CB-CG 4.05Å; K281-Q291 WeakPolarHBondContact CA-O 3.48Å; K281-Q291 WeakPolarHBondContact CB-O 3.47Å; I282-Q291 PolarHBondContact N-O 2.86Å; I282-Q291 PolarHBondContact O-N 2.99Å; C284-Q291 HydrophobicContact CB-CG 4.21Å; C287-Q291 HydrophobicContact CB-CG 4.17Å; S289-Q291 PolarHBondContact O-N 3.5Å; S289-Q291 PolarHBondContact OG-NE2 2.96Å; Q291-S293 PolarHBondContact O-OG 3.21Å
292E96.2Very high95.2Very high55 Ų5556.3 Ų56.326%0.25730%0.297SS..  trans-65.1143165.2-64.5-174.2173.600109.2Q214 H275 S278 K281Q214-E292 WeakPolarHBondContact CB-O 3.43Å; Q214-E292 PolarHBondContact N-O 3.35Å; H275-E292 IonicContact CE1-OE2 2.72Å; H275-E292 IonicContact NE2-OE2 3.34Å; S278-E292 WeakPolarHBondContact CB-OE1 3.31Å; S278-E292 PolarHBondContact OG-OE1 3.19Å; K281-E292 HydrophobicContact CD-CG 4.29Å; K281-E292 HydrophobicContact CG-CG 4.03Å
293S96.2Very high95.3Very high3 Ų353.6 Ų53.62%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-142.8151.8-173-620000110.6T212 L276 Q291T212-S293 CarbonylContact O-C 3.43Å; T212-S293 WeakPolarHBondContact O-CA 3.1Å; T212-S293 WeakPolarHBondContact O-CB 3.37Å; L276-S293 PolarHBondContact N-O 2.88Å; L276-S293 VanDerWaalsContact N-O 3.09Å; Q291-S293 PolarHBondContact O-OG 3.21Å
294T96.2Very high95.3Very high36 Ų3649.6 Ų49.622%0.22127%0.269CS..EExtended strand (participates in β ladder)trans-103.1136.7167.956.20000109.4V211 T212 Q214 E274V211-T294 WeakPolarHBondContact CA-O 3.36Å; T212-T294 WeakPolarHBondContact CB-OG1 3.44Å; T212-T294 PolarHBondContact N-O 3.08Å; T212-T294 PolarHBondContact O-N 2.96Å; Q214-T294 HydrophobicContact CG-CG2 4.33Å; E274-T294 CarbonylContact O-C 3.59Å; E274-T294 WeakPolarHBondContact O-CA 3.24Å
295K96.2Very high95.5Very high70 Ų7049 Ų4930%0.30427%0.265SS..EExtended strand (participates in β ladder)trans-107.2139.6173.4-171.4179.1-176.7-173.70109.4S209 D210 V211 P273 E274 L276S209-K295 WeakPolarHBondContact OG-CE 3.37Å; D210-K295 CarbonylContact O-C 3.45Å; D210-K295 WeakPolarHBondContact O-CA 3.5Å; V211-K295 HydrophobicContact CG2-CG 4.32Å; P273-K295 CarbonylContact C-O 3.57Å; P273-K295 WeakPolarHBondContact CA-O 3.22Å; E274-K295 HydrophobicContact CG-CB 4.32Å; E274-K295 PolarHBondContact N-O 3.27Å; E274-K295 PolarHBondContact O-N 3.01Å; L276-K295 HydrophobicContact CD2-CB 3.9Å; L276-K295 HydrophobicContact CD2-CD 4.5Å; L276-K295 HydrophobicContact CG-CB 4.28Å
296Q96.5Very high95.7Very high38 Ų3846.6 Ų46.618%0.17824%0.24CC..EExtended strand (participates in β ladder)trans-137.3136.3173.1-172.5179.61300110S209 D210 T271 P273 T298 K343S209-Q296 WeakPolarHBondContact CA-O 3.36Å; D210-Q296 PolarHBondContact N-O 2.99Å; D210-Q296 PolarHBondContact O-N 2.81Å; T271-Q296 VanDerWaalsContact O-CG 3.27Å; T271-Q296 WeakPolarHBondContact O-CG 3.46Å; T271-Q296 PolarHBondContact O-NE2 3.29Å; P273-Q296 HydrophobicContact CB-CB 4.35Å; P273-Q296 HydrophobicContact CB-CG 4.48Å; P273-Q296 HydrophobicContact CG-CB 4.37Å; P273-Q296 HydrophobicContact CG-CG 4.05Å; Q296-T298 HydrophobicContact CG-CG2 4.43Å; Q296-K343 VanDerWaalsContact OE1-CE 3.29Å
297L97.2Very high95.9Very high30 Ų3042.1 Ų42.116%0.15721%0.209CC..EExtended strand (participates in β ladder)trans-100.9140.6172.7-60.2177.4000110.5L207 Q208 F270 T271L207-L297 HydrophobicContact CD1-CB 4.3Å; L207-L297 HydrophobicContact CD2-CD1 4.42Å; L207-L297 HydrophobicContact CD2-CD2 4.29Å; L207-L297 HydrophobicContact CG-CD2 4.44Å; Q208-L297 CarbonylContact O-C 3.59Å; Q208-L297 VanDerWaalsContact O-CA 3.28Å; Q208-L297 WeakPolarHBondContact O-CA 3.44Å; F270-L297 HydrophobicContact CD2-CD1 4.48Å; F270-L297 HydrophobicContact CE1-CB 4.25Å; F270-L297 HydrophobicContact CE1-CD1 4.31Å; F270-L297 HydrophobicContact CE2-CD1 3.85Å; F270-L297 HydrophobicContact CZ-CB 4.49Å; F270-L297 HydrophobicContact CZ-CD1 3.76Å; T271-L297 WeakPolarHBondContact CA-O 3.36Å; T271-L297 VanDerWaalsContact CB-O 3.25Å; T271-L297 WeakPolarHBondContact CB-O 3.3Å; T271-L297 WeakPolarHBondContact CG2-O 3.48Å
298T97.4Very high96.1Very high4 Ų440.2 Ų40.23%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-146.9161.8174.752.20000110.4Q208 Q296Q208-T298 PolarHBondContact N-O 2.81Å; Q208-T298 PolarHBondContact O-N 3.15Å; Q296-T298 HydrophobicContact CG-CG2 4.43Å
299M96.5Very high96.3Very high2 Ų234.9 Ų34.91%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-84.3116.9173.7-59.4-52.7-6400109.6L207 I229 L302 M335 F338 M339 A340L207-M299 HydrophobicContact CD1-SD 4.03Å; I229-M299 HydrophobicContact CD1-CE 3.86Å; I229-M299 HydrophobicContact CD1-SD 3.68Å; I229-M299 HydrophobicContact CG1-SD 4.49Å; M299-L302 HydrophobicContact CB-CD2 4.01Å; M299-L302 HydrophobicContact CE-CD2 4.08Å; M299-L302 HydrophobicContact CG-CD2 4.06Å; M299-M335 HydrophobicContact CG-CE 4Å; M299-F338 HydrophobicContact CG-CB 4.47Å; M299-F338 PolarHBondContact N-O 2.79Å; M299-M339 HydrophobicContact CB-SD 3.59Å; M299-M339 VanDerWaalsContact CB-SD 3.59Å; M299-M339 CarbonylContact O-C 3.59Å; M299-M339 VanDerWaalsContact O-CA 3.29Å; M299-M339 WeakPolarHBondContact O-CA 3.23Å; M299-A340 PolarHBondContact O-N 2.81Å
300N95.2Very high96.4Very high72 Ų7232.8 Ų32.839%0.38516%0.156SC..EExtended strand (participates in β ladder)trans-88-45.6171.3178-86.8000110.9G206 Q208 I223G206-N300 WeakPolarHBondContact O-CB 3.38Å; G206-N300 PolarHBondContact O-N 2.79Å; Q208-N300 HydrophobicContact CB-CB 3.88Å; Q208-N300 PolarHBondContact OE1-ND2 3.2Å; Q208-N300 VanDerWaalsContact OE1-ND2 3.13Å; I223-N300 HydrophobicContact CD1-CB 4.39Å; I223-N300 HydrophobicContact CG2-CB 4.39Å
301K93.9Very high96.3Very high90 Ų9029 Ų2939%0.39114%0.143SC..EExtended strand (participates in β ladder)trans-125.8131.5174.5-179.6-169.5177-160.70109.6G205 G206G205-K301 CarbonylContact C-O 2.89Å; G205-K301 WeakPolarHBondContact CA-O 3.47Å; G206-K301 PolarHBondContact N-O 2.84Å; G206-K301 PolarHBondContact O-N 3.31Å; G206-K301 VanDerWaalsContact O-N 3.15Å
302L95.4Very high96.2Very high11 Ų1126.6 Ų26.66%0.05813%0.131CC..  trans-90.8134.1174.2-75.9175.7000110.8M299 M335 M339 N362 Y364M299-L302 HydrophobicContact CB-CD2 4.01Å; M299-L302 HydrophobicContact CE-CD2 4.08Å; M299-L302 HydrophobicContact CG-CD2 4.06Å; L302-M335 HydrophobicContact CD1-CB 3.86Å; L302-M335 HydrophobicContact CD2-CB 3.96Å; L302-M335 HydrophobicContact CD2-CE 4.07Å; L302-M335 HydrophobicContact CD2-CG 4.27Å; L302-M339 HydrophobicContact CD1-CE 4.24Å; L302-M339 HydrophobicContact CD1-SD 3.49Å; L302-M339 WeakPolarHBondContact CD1-SD 3.27Å; L302-M339 HydrophobicContact CD2-SD 3.9Å; L302-M339 HydrophobicContact CG-CE 4.04Å; L302-M339 HydrophobicContact CG-SD 3.43Å; L302-M339 WeakPolarHBondContact CG-SD 3.48Å; L302-N362 HydrophobicContact CD1-CB 4.05Å; L302-N362 VanDerWaalsContact CD1-OD1 3.29Å; L302-N362 WeakPolarHBondContact CD1-OD1 3.27Å; L302-Y364 WeakPolarHBondContact CB-OH 3.45Å; L302-Y364 HydrophobicContact CD1-CE2 4.19Å
303P95.6Very high95.7Very high11 Ų1126.2 Ų26.27%0.07113%0.129CC..  trans-68.6168.6173.731.8-35.5000110.9F203 V305 A306 Y364 K420F203-P303 WeakPolarHBondContact O-CB 3.2Å; P303-V305 WeakPolarHBondContact CB-O 3.29Å; P303-V305 WeakPolarHBondContact CG-O 3.33Å; P303-A306 HydrophobicContact CG-CB 4.1Å; P303-Y364 PolarHBondContact O-OH 2.9Å; P303-K420 WeakPolarHBondContact O-CE 3.5Å
304V95.3Very high95Very high32 Ų3227.2 Ų27.219%0.19413%0.133CC..SBendtrans-74.1-37.9170.3176.30000110.7I101 Q201 I202 H419 K420 L423I101-V304 HydrophobicContact CD1-CB 4.47Å; I101-V304 HydrophobicContact CD1-CG1 3.44Å; I101-V304 VanDerWaalsContact CD1-CG1 3.44Å; Q201-V304 WeakPolarHBondContact O-CG2 3.21Å; I202-V304 WeakPolarHBondContact O-CA 3.3Å; I202-V304 WeakPolarHBondContact O-CB 3.41Å; I202-V304 PolarHBondContact O-N 2.89Å; V304-H419 CarbonylContact O-C 3.54Å; V304-H419 WeakPolarHBondContact O-CA 3.49Å; V304-K420 PolarHBondContact O-N 2.94Å; V304-L423 HydrophobicContact CB-CD2 4.42Å; V304-L423 HydrophobicContact CG1-CD2 3.3Å; V304-L423 HydrophobicContact CG2-CD2 4.36Å
305V97.4Very high94.1Very high2 Ų232 Ų321%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-115113.7172.4175.50000109.1T99 I202 F203 P303 F367 F417 Y418 H419T99-V305 HydrophobicContact CG2-CG2 3.7Å; I202-V305 HydrophobicContact CG2-CB 3.9Å; I202-V305 HydrophobicContact CG2-CG2 3.61Å; I202-V305 PolarHBondContact O-N 3.08Å; F203-V305 HydrophobicContact CD1-CB 3.93Å; F203-V305 HydrophobicContact CD1-CG1 3.94Å; F203-V305 HydrophobicContact CE1-CB 3.81Å; F203-V305 HydrophobicContact CE1-CG1 3.55Å; F203-V305 HydrophobicContact CE1-CG2 4.5Å; P303-V305 WeakPolarHBondContact CB-O 3.29Å; P303-V305 WeakPolarHBondContact CG-O 3.33Å; V305-F367 HydrophobicContact CG1-CE1 3.93Å; V305-F367 HydrophobicContact CG1-CZ 4.06Å; V305-F417 HydrophobicContact CG1-CD1 4.49Å; V305-Y418 CarbonylContact C-O 3.51Å; V305-Y418 VanDerWaalsContact CA-O 3.23Å; V305-Y418 WeakPolarHBondContact CA-O 3.26Å; V305-H419 HydrophobicContact CG2-CB 4.37Å
306A97.7Very high92.9Very high3 Ų330.5 Ų30.53%0.02515%0.151CC..EExtended strand (participates in β ladder)trans-89.5124.717500000110P303 F308 Y364 Y418P303-A306 HydrophobicContact CG-CB 4.1Å; A306-F308 HydrophobicContact CB-CE2 3.88Å; A306-F308 HydrophobicContact CB-CZ 3.99Å; A306-Y364 HydrophobicContact CB-CD1 4.11Å; A306-Y364 HydrophobicContact CB-CE1 3.65Å; A306-Y418 PolarHBondContact N-O 3.28Å; A306-Y418 PolarHBondContact O-N 2.76Å
307C98.3Very high91.8Very high6 Ų634.1 Ų34.14%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-105.5115.8174.7-560000109.1L169 D228 I229 L416 F417L169-C307 HydrophobicContact CD2-CB 4.44Å; D228-C307 CarbonylContact C-O 3.53Å; D228-C307 VanDerWaalsContact CA-O 3.29Å; D228-C307 WeakPolarHBondContact CA-O 3.3Å; D228-C307 HydrophobicContact CB-CB 4.06Å; I229-C307 PolarHBondContact N-O 3.22Å; C307-L416 WeakPolarHBondContact CA-O 3.4Å; C307-F417 HydrophobicContact CB-CD1 4.45Å; C307-F417 HydrophobicContact CB-CE1 4.41Å; C307-F417 WeakPolarHBondContact SG-CD1 3.38Å; C307-F417 VanDerWaalsContact SG-CE1 3.55Å
308F98.5Very high90.6Very high1 Ų142.6 Ų42.60%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-103.3125.8173.4-58-77.9000109.6I229 L231 L263 L267 A306 L333 M335 L415 L416 Y418I229-F308 HydrophobicContact CB-CD1 3.93Å; I229-F308 HydrophobicContact CB-CE1 4.26Å; I229-F308 HydrophobicContact CD1-CD1 4.24Å; I229-F308 HydrophobicContact CD1-CE1 3.69Å; I229-F308 HydrophobicContact CG2-CD1 4.33Å; L231-F308 HydrophobicContact CD1-CB 4.36Å; L231-F308 HydrophobicContact CD1-CD1 4.15Å; L263-F308 HydrophobicContact CD1-CB 4.27Å; L263-F308 HydrophobicContact CD1-CD1 4.34Å; L263-F308 HydrophobicContact CD1-CG 4.14Å; L263-F308 HydrophobicContact CD2-CD2 4.3Å; L267-F308 HydrophobicContact CD1-CE1 4.12Å; L267-F308 HydrophobicContact CD1-CZ 4.4Å; L267-F308 HydrophobicContact CD2-CD1 4.05Å; L267-F308 HydrophobicContact CD2-CE1 3.61Å; L267-F308 HydrophobicContact CG-CE1 4.39Å; A306-F308 HydrophobicContact CB-CE2 3.88Å; A306-F308 HydrophobicContact CB-CZ 3.99Å; F308-L333 HydrophobicContact CD2-CD2 4.48Å; F308-L333 HydrophobicContact CE2-CD2 3.5Å; F308-L333 VanDerWaalsContact CE2-CD2 3.5Å; F308-L333 HydrophobicContact CZ-CD2 3.59Å; F308-M335 HydrophobicContact CE1-CE 4.24Å; F308-M335 HydrophobicContact CE1-SD 4.32Å; F308-M335 HydrophobicContact CZ-CE 4.12Å; F308-M335 HydrophobicContact CZ-SD 3.78Å; F308-L415 CarbonylContact O-C 3.51Å; F308-L415 WeakPolarHBondContact O-CA 3.33Å; F308-L416 HydrophobicContact CB-CB 4.31Å; F308-L416 PolarHBondContact N-O 3.44Å; F308-L416 PolarHBondContact O-N 2.88Å; F308-Y418 AromaticContact CD2-CD2 3.63Å; F308-Y418 HydrophobicContact CD2-CD2 3.63Å; F308-Y418 AromaticContact CD2-CE2 3.93Å; F308-Y418 HydrophobicContact CD2-CE2 3.93Å; F308-Y418 AromaticContact CE2-CD2 3.67Å; F308-Y418 HydrophobicContact CE2-CD2 3.67Å; F308-Y418 HydrophobicContact CE2-CE2 4.15Å; F308-Y418 HydrophobicContact CE2-CG 4.28Å
309H97.9Very high89.4Confident14 Ų1446.7 Ų46.77%0.06524%0.242CC..EExtended strand (participates in β ladder)trans-109123.3176.2163.9-137.1000109.4H166 I229 S230 L231 Y414 L415H166-H309 AromaticContact CD2-CG 3.51Å; H166-H309 AromaticContact CD2-ND1 3.53Å; H166-H309 AromaticContact CE1-CE1 3.96Å; H166-H309 AromaticContact CE1-ND1 3.47Å; H166-H309 PolarHBondContact CE1-ND1 2.87Å; H166-H309 AromaticContact CG-CE1 3.72Å; H166-H309 AromaticContact CG-CG 3.75Å; H166-H309 AromaticContact CG-ND1 3.53Å; H166-H309 AromaticContact ND1-CE1 3.59Å; H166-H309 AromaticContact ND1-ND1 3.5Å; H166-H309 AromaticContact NE2-CG 3.82Å; H166-H309 AromaticContact NE2-ND1 3.46Å; H166-H309 PolarHBondContact NE2-ND1 3.05Å; I229-H309 PolarHBondContact O-N 3.37Å; S230-H309 CarbonylContact C-O 3.59Å; S230-H309 WeakPolarHBondContact CA-O 3.35Å; S230-H309 PolarHBondContact OG-ND1 2.9Å; L231-H309 PolarHBondContact N-O 2.81Å; H309-Y414 AromaticContact CD2-CE2 3.55Å; H309-Y414 AromaticContact CD2-CZ 3.59Å; H309-Y414 PolarHBondContact CD2-OH 2.78Å; H309-Y414 AromaticContact NE2-CE2 3.39Å; H309-Y414 WeakPolarHBondContact NE2-CE2 3.36Å; H309-Y414 AromaticContact NE2-CZ 3.44Å; H309-Y414 PolarHBondContact NE2-OH 2.92Å; H309-L415 HydrophobicContact CB-CD2 3.54Å
310F96.8Very high88.6Confident0 Ų053.6 Ų53.60%027%0.268CS..EExtended strand (participates in β ladder)trans-88119.1170.3-67.3-58.7000109.6L231 L233 L263 C266 R312 I327 G413 Y414 L416L231-F310 HydrophobicContact CB-CD1 4.14Å; L231-F310 HydrophobicContact CD1-CD1 4.31Å; L231-F310 HydrophobicContact CD1-CE1 3.96Å; L233-F310 HydrophobicContact CD1-CB 4.16Å; L233-F310 HydrophobicContact CD2-CB 4Å; L233-F310 HydrophobicContact CD2-CD1 3.52Å; L233-F310 HydrophobicContact CD2-CE1 4.28Å; L233-F310 HydrophobicContact CD2-CG 4.02Å; L233-F310 HydrophobicContact CG-CB 4.32Å; L263-F310 HydrophobicContact CB-CZ 4.37Å; L263-F310 HydrophobicContact CD1-CE1 3.93Å; L263-F310 HydrophobicContact CD1-CZ 3.81Å; C266-F310 HydrophobicContact CB-CE1 4.47Å; F310-R312 HydrophobicContact CB-CG 4.18Å; F310-R312 PolarHBondContact O-N 2.75Å; F310-I327 HydrophobicContact CE1-CB 4.47Å; F310-I327 HydrophobicContact CE1-CG2 3.8Å; F310-I327 HydrophobicContact CE2-CB 4.47Å; F310-I327 HydrophobicContact CE2-CG2 4.34Å; F310-I327 HydrophobicContact CZ-CB 4.18Å; F310-I327 HydrophobicContact CZ-CG2 3.6Å; F310-G413 VanDerWaalsContact CD2-O 3.23Å; F310-G413 WeakPolarHBondContact CD2-O 3.38Å; F310-Y414 PolarHBondContact N-O 3.02Å; F310-Y414 WeakPolarHBondContact O-CE2 3.17Å; F310-L416 HydrophobicContact CE2-CD1 3.57Å; F310-L416 HydrophobicContact CE2-CD2 4.48Å; F310-L416 HydrophobicContact CE2-CG 3.92Å; F310-L416 HydrophobicContact CZ-CD1 3.85Å
311K93.9Very high88.1Confident78 Ų7853.6 Ų53.634%0.33926%0.262SS..  trans-70.469.8179.4-61.4-172.7-1591550111.5S230 L231 D232 F313S230-K311 WeakPolarHBondContact O-CE 3.24Å; L231-K311 PolarHBondContact O-N 3.34Å; D232-K311 WeakPolarHBondContact OD1-CD 3.23Å; D232-K311 IonicContact OD1-NZ 2.63Å; D232-K311 PolarHBondContact OD1-NZ 3.02Å; D232-K311 IonicContact OD2-NZ 3.74Å; K311-F313 VanDerWaalsContact C-N 3.27Å; K311-F313 PolarHBondContact O-N 2.84Å
312R91.1Very high87.9Confident1 Ų150.7 Ų50.70%0.00425%0.25CC..  trans-73.1-21.4-178.9-70.3-173.8-178.3-75.3-4112L233 F310 K322 I323 T325 E412 G413 Y414L233-R312 HydrophobicContact CD1-CB 4.48Å; L233-R312 HydrophobicContact CD1-CG 3.58Å; F310-R312 HydrophobicContact CB-CG 4.18Å; F310-R312 PolarHBondContact O-N 2.75Å; R312-K322 HydrophobicContact CB-CG 4.44Å; R312-K322 CarbonylContact O-C 3.58Å; R312-K322 VanDerWaalsContact O-CA 3.28Å; R312-K322 WeakPolarHBondContact O-CA 3.46Å; R312-I323 PolarHBondContact NH1-O 2.89Å; R312-I323 PolarHBondContact O-N 3.49Å; R312-T325 PolarHBondContact NH1-O 2.96Å; R312-E412 IonicContact CZ-OE1 3.66Å; R312-E412 IonicContact NE-OE1 2.81Å; R312-E412 IonicContact NH1-OE1 3.82Å; R312-E412 PolarHBondContact NH1-OE1 3.31Å; R312-G413 VanDerWaalsContact CZ-O 3.24Å; R312-G413 PolarHBondContact NE-O 2.84Å; R312-G413 PolarHBondContact NH2-O 3.21Å; R312-Y414 HydrophobicContact CB-CD2 4.19Å; R312-Y414 HydrophobicContact CB-CE2 4.39Å; R312-Y414 HydrophobicContact CG-CD2 4.18Å
313F87.1Confident87.6Confident47 Ų4750.2 Ų50.221%0.20625%0.248CC..EExtended strand (participates in β ladder)trans-99.5115-177.8-59-51.5000110.4K311 K322 H372 L376 Y414K311-F313 VanDerWaalsContact C-N 3.27Å; K311-F313 PolarHBondContact O-N 2.84Å; F313-K322 HydrophobicContact CD1-CB 4.36Å; F313-K322 HydrophobicContact CD1-CG 4.17Å; F313-K322 HydrophobicContact CE1-CB 4.44Å; F313-K322 HydrophobicContact CE1-CD 4.24Å; F313-K322 HydrophobicContact CE1-CG 4Å; F313-H372 AromaticContact CE1-CE1 3.84Å; F313-H372 AromaticContact CE1-ND1 3.81Å; F313-H372 AromaticContact CZ-CE1 3.64Å; F313-H372 AromaticContact CZ-CG 3.8Å; F313-H372 AromaticContact CZ-ND1 3.49Å; F313-H372 WeakPolarHBondContact CZ-ND1 3.5Å; F313-L376 HydrophobicContact CB-CD2 3.58Å; F313-L376 HydrophobicContact CD1-CD2 3.22Å; F313-L376 HydrophobicContact CD1-CG 3.99Å; F313-L376 HydrophobicContact CE1-CD2 4.06Å; F313-L376 HydrophobicContact CG-CD2 3.62Å; F313-Y414 HydrophobicContact CD2-CE2 4.01Å; F313-Y414 HydrophobicContact CE2-CD2 4.46Å; F313-Y414 HydrophobicContact CE2-CE1 4.48Å; F313-Y414 AromaticContact CE2-CE2 3.76Å; F313-Y414 HydrophobicContact CE2-CE2 3.76Å; F313-Y414 AromaticContact CE2-CZ 3.79Å
314E81.2Confident87.3Confident23 Ų2354.3 Ų54.311%0.10727%0.273CS..EExtended strand (participates in β ladder)trans-106.4128.9173.9-73-164.6152.600111.1S236 C237 R320 R321 I323S236-E314 WeakPolarHBondContact CA-OE1 3.46Å; S236-E314 WeakPolarHBondContact CB-OE1 3.47Å; S236-E314 PolarHBondContact OG-OE1 3.44Å; C237-E314 PolarHBondContact N-OE1 3.23Å; E314-R320 WeakPolarHBondContact O-CA 3.46Å; E314-R321 HydrophobicContact CB-CG 4.29Å; E314-R321 VanDerWaalsContact CD-NH2 3.29Å; E314-R321 PolarHBondContact N-O 2.93Å; E314-R321 PolarHBondContact O-N 3.2Å; E314-R321 VanDerWaalsContact O-N 3.13Å; E314-R321 IonicContact OE1-NH2 3.21Å; E314-R321 IonicContact OE2-CZ 3.58Å; E314-R321 IonicContact OE2-NE 3.16Å; E314-R321 PolarHBondContact OE2-NE 2.87Å; E314-R321 IonicContact OE2-NH2 3.75Å; E314-R321 PolarHBondContact OE2-NH2 2.95Å; E314-I323 HydrophobicContact CG-CD1 3.92Å; E314-I323 HydrophobicContact CG-CG1 4.34Å
315H76.3Confident87.1Confident138 Ų13855.4 Ų55.464%0.63928%0.279SS*.EExtended strand (participates in β ladder)trans-115.8108.4170.6-160110.4000109.1R320H315-R320 PolarHBondContact CE1-NE 3.12Å; H315-R320 PolarHBondContact CE1-NH2 3.43Å; H315-R320 PolarHBondContact ND1-NE 3.49Å
316S71.8Confident86.9Confident38 Ų3859.2 Ų59.227%0.26629%0.294SS..  trans-118.4158.9168.473.80000109.3K318 Q319S316-K318 PolarHBondContact O-N 3.25Å; S316-K318 PolarHBondContact OG-N 3.45Å; S316-Q319 PolarHBondContact N-O 3.16Å; S316-Q319 PolarHBondContact O-N 2.62Å; S316-Q319 WeakPolarHBondContact OG-CG 3.29Å; S316-Q319 PolarHBondContact OG-N 3.23Å; S316-Q319 PolarHBondContact OG-O 3.4Å
317A73.1Confident86.8Confident114 Ų11459 Ų5994%0.94229%0.293SS*.SBendtrans-56.2-23176.800000113.5
318K72.6Confident86.7Confident207 Ų20760.7 Ų60.790%0.930%0.304SS*.SBendtrans-101.1-28.7-176.5-65.2-176.2179.5179.90113.9S316S316-K318 PolarHBondContact O-N 3.25Å; S316-K318 PolarHBondContact OG-N 3.45Å
319Q72.1Confident86.7Confident91 Ų9160.7 Ų60.743%0.42530%0.304SS..  trans-152.1139.2-174.760.5179.117.300111.5S316S316-Q319 PolarHBondContact N-O 3.16Å; S316-Q319 PolarHBondContact O-N 2.62Å; S316-Q319 WeakPolarHBondContact OG-CG 3.29Å; S316-Q319 PolarHBondContact OG-N 3.23Å; S316-Q319 PolarHBondContact OG-O 3.4Å
320R78.6Confident86.6Confident147 Ų14761.5 Ų61.556%0.55531%0.311SS*.EExtended strand (participates in β ladder)trans-111.3123165.8-60.6-175.1-179.8-177.2-2.7107.7E314 H315 L376 E377E314-R320 WeakPolarHBondContact O-CA 3.46Å; H315-R320 PolarHBondContact CE1-NE 3.12Å; H315-R320 PolarHBondContact CE1-NH2 3.43Å; H315-R320 PolarHBondContact ND1-NE 3.49Å; R320-L376 VanDerWaalsContact C-CD1 3.4Å; R320-L376 HydrophobicContact CB-CD1 3.66Å; R320-E377 IonicContact NH1-OE1 3.91Å; R320-E377 PolarHBondContact NH1-OE1 2.61Å
321R85.9Confident86.6Confident71 Ų7163.8 Ų63.827%0.26832%0.323SS..EExtended strand (participates in β ladder)trans-147.6157.3179.469.3-177-175.5107.32.9112.9G235 E314 L376G235-R321 PolarHBondContact O-NH2 2.94Å; E314-R321 HydrophobicContact CB-CG 4.29Å; E314-R321 VanDerWaalsContact CD-NH2 3.29Å; E314-R321 PolarHBondContact N-O 2.93Å; E314-R321 PolarHBondContact O-N 3.2Å; E314-R321 VanDerWaalsContact O-N 3.13Å; E314-R321 IonicContact OE1-NH2 3.21Å; E314-R321 IonicContact OE2-CZ 3.58Å; E314-R321 IonicContact OE2-NE 3.16Å; E314-R321 PolarHBondContact OE2-NE 2.87Å; E314-R321 IonicContact OE2-NH2 3.75Å; E314-R321 PolarHBondContact OE2-NH2 2.95Å; R321-L376 VanDerWaalsContact C-CD1 3.48Å
322K89.4Confident86.8Confident29 Ų2965.5 Ų65.513%0.12633%0.332CS..EExtended strand (participates in β ladder)trans-94.3129.2165.8-173.2-171.7176.7-154.80109.7R312 F313 T324 H372 G374 E412R312-K322 HydrophobicContact CB-CG 4.44Å; R312-K322 CarbonylContact O-C 3.58Å; R312-K322 VanDerWaalsContact O-CA 3.28Å; R312-K322 WeakPolarHBondContact O-CA 3.46Å; F313-K322 HydrophobicContact CD1-CB 4.36Å; F313-K322 HydrophobicContact CD1-CG 4.17Å; F313-K322 HydrophobicContact CE1-CB 4.44Å; F313-K322 HydrophobicContact CE1-CD 4.24Å; F313-K322 HydrophobicContact CE1-CG 4Å; K322-T324 HydrophobicContact CD-CG2 4.16Å; K322-T324 HydrophobicContact CG-CG2 4.3Å; K322-T324 PolarHBondContact O-N 3.46Å; K322-H372 PolarHBondContact NZ-O 3.12Å; K322-G374 VanDerWaalsContact CD-O 3.26Å; K322-G374 WeakPolarHBondContact CD-O 3.37Å; K322-E412 WeakPolarHBondContact CE-OE1 3.22Å; K322-E412 VanDerWaalsContact NZ-CD 3.27Å; K322-E412 IonicContact NZ-OE1 3.97Å; K322-E412 PolarHBondContact NZ-OE1 3.27Å; K322-E412 IonicContact NZ-OE2 3.74Å; K322-E412 PolarHBondContact NZ-OE2 3.36Å
323I89.1Confident87.1Confident2 Ų265.7 Ų65.71%0.0133%0.333CS..  trans-81.4106.4169-56.5176.8000108L233 R312 E314 T325L233-I323 HydrophobicContact CB-CD1 4.11Å; L233-I323 HydrophobicContact CB-CG2 4.02Å; L233-I323 HydrophobicContact CD1-CB 4.17Å; L233-I323 HydrophobicContact CD1-CG2 3.93Å; R312-I323 PolarHBondContact NH1-O 2.89Å; R312-I323 PolarHBondContact O-N 3.49Å; E314-I323 HydrophobicContact CG-CD1 3.92Å; E314-I323 HydrophobicContact CG-CG1 4.34Å; I323-T325 VanDerWaalsContact C-N 3.32Å; I323-T325 WeakPolarHBondContact CG2-OG1 3.48Å
324T89Confident87.5Confident97 Ų9766.6 Ų66.660%0.59534%0.34SS*.  trans-92.79-179.960.10000113.2K322 Y326 E412K322-T324 HydrophobicContact CD-CG2 4.16Å; K322-T324 HydrophobicContact CG-CG2 4.3Å; K322-T324 PolarHBondContact O-N 3.46Å; T324-Y326 PolarHBondContact O-N 3.42Å; T324-E412 WeakPolarHBondContact CA-OE1 3.34Å
325T90.9Very high88.2Confident55 Ų5565.5 Ų65.534%0.33734%0.335SS..  trans-56.3128.5177.6-48.40000110.1P234 R312 I323P234-T325 HydrophobicContact CB-CG2 4.17Å; P234-T325 HydrophobicContact CG-CG2 4.42Å; P234-T325 PolarHBondContact O-OG1 3.39Å; R312-T325 PolarHBondContact NH1-O 2.96Å; I323-T325 VanDerWaalsContact C-N 3.32Å; I323-T325 WeakPolarHBondContact CG2-OG1 3.48Å
326Y93.1Very high89.1Confident81 Ų8160.8 Ų60.832%0.31832%0.316SS..  trans-67.5134.2174.1175.5-101.6000110.2I260 T324 L409I260-Y326 HydrophobicContact CG2-CD1 3.98Å; I260-Y326 HydrophobicContact CG2-CE1 4Å; T324-Y326 PolarHBondContact O-N 3.42Å; Y326-L409 PolarHBondContact OH-O 2.99Å
327I95.7Very high90.2Very high0 Ų062.2 Ų62.20%032%0.324CS..  trans-124.1120.2175.3-53.9-63.7000107.1L233 P234 T261 F310 F329L233-I327 HydrophobicContact CD2-CD1 3.83Å; L233-I327 HydrophobicContact CD2-CG1 3.68Å; P234-I327 HydrophobicContact CG-CD1 4.13Å; T261-I327 HydrophobicContact CG2-CD1 3.85Å; T261-I327 WeakPolarHBondContact O-CA 3.48Å; F310-I327 HydrophobicContact CE1-CB 4.47Å; F310-I327 HydrophobicContact CE1-CG2 3.8Å; F310-I327 HydrophobicContact CE2-CB 4.47Å; F310-I327 HydrophobicContact CE2-CG2 4.34Å; F310-I327 HydrophobicContact CZ-CB 4.18Å; F310-I327 HydrophobicContact CZ-CG2 3.6Å; I327-F329 WeakPolarHBondContact O-CD1 3.39Å
328S96.7Very high91.3Very high40 Ų4057.2 Ų57.228%0.2828%0.281SS..BIsolated β-bridgetrans-76.4133.2175.3-174.20000109.9T261 T262 L263T261-S328 PolarHBondContact O-N 3.31Å; T262-S328 CarbonylContact C-O 3.55Å; T262-S328 WeakPolarHBondContact CA-O 3.15Å; L263-S328 PolarHBondContact N-O 3.31Å
329F98Very high92.4Very high2 Ų248.2 Ų48.21%0.00924%0.242CC..  trans-129.1139.2175.450.4-93.1000109.6L263 I327 L366 V369 V408 L409 L416L263-F329 HydrophobicContact CB-CB 4.04Å; L263-F329 HydrophobicContact CD2-CB 4.24Å; I327-F329 WeakPolarHBondContact O-CD1 3.39Å; F329-L366 HydrophobicContact CD2-CD2 3.85Å; F329-L366 HydrophobicContact CE2-CD2 3.78Å; F329-V369 HydrophobicContact CE2-CG2 3.85Å; F329-V369 HydrophobicContact CZ-CG1 4.08Å; F329-V369 HydrophobicContact CZ-CG2 4.18Å; F329-V408 HydrophobicContact CE2-CG1 4.49Å; F329-V408 VanDerWaalsContact CZ-O 3.3Å; F329-V408 WeakPolarHBondContact CZ-O 3.41Å; F329-L409 HydrophobicContact CD2-CD2 4.19Å; F329-L409 HydrophobicContact CE2-CD2 4.08Å; F329-L409 VanDerWaalsContact O-CD2 3.3Å; F329-L409 WeakPolarHBondContact O-CD2 3.41Å; F329-L416 HydrophobicContact CB-CD1 3.55Å; F329-L416 HydrophobicContact CD1-CD1 4.05Å; F329-L416 HydrophobicContact CD1-CD2 4Å; F329-L416 HydrophobicContact CD2-CD1 4.25Å; F329-L416 HydrophobicContact CD2-CD2 4.04Å; F329-L416 HydrophobicContact CE1-CD2 4.05Å; F329-L416 HydrophobicContact CE2-CD2 4.09Å; F329-L416 HydrophobicContact CG-CD1 3.69Å; F329-L416 HydrophobicContact CG-CD2 3.99Å; F329-L416 HydrophobicContact CZ-CD2 4.08Å
330P97.1Very high93.5Very high30 Ų3044 Ų4420%0.19522%0.224CC..  trans-84.8158.5-175.735.4-37.1000112E332 L333 Y418P330-E332 VanDerWaalsContact C-N 3.26Å; P330-E332 WeakPolarHBondContact CB-O 3.36Å; P330-E332 WeakPolarHBondContact CG-O 3.24Å; P330-E332 PolarHBondContact O-N 3.31Å; P330-L333 HydrophobicContact CG-CB 4.38Å; P330-L333 HydrophobicContact CG-CD1 4.26Å; P330-Y418 WeakPolarHBondContact O-CE1 3.48Å; P330-Y418 PolarHBondContact O-OH 3.22Å
331L97Very high94Very high49 Ų4940.3 Ų40.326%0.25722%0.22SC..SBendtrans-66.8-31.4170-73.5178.3000112.4S365 L366 W392 I405 L409L331-S365 WeakPolarHBondContact O-CA 3.21Å; L331-L366 HydrophobicContact CD2-CD2 4.24Å; L331-L366 PolarHBondContact O-N 3.28Å; L331-W392 HydrophobicContact CD2-CZ2 3.85Å; L331-I405 HydrophobicContact CD1-CD1 4.31Å; L331-I405 HydrophobicContact CD1-CG2 3.77Å; L331-I405 HydrophobicContact CD2-CG2 4.42Å; L331-I405 HydrophobicContact CG-CG2 4.37Å; L331-L409 HydrophobicContact CD2-CD2 4.12Å; L331-L409 HydrophobicContact CG-CD1 4.42Å; L331-L409 HydrophobicContact CG-CD2 4.17Å
332E97Very high93.9Very high113 Ų11338.1 Ų38.153%0.52822%0.215SC..EExtended strand (participates in β ladder)trans-121.4132.6177.9-62.1-173174.600109.5P330 Y364P330-E332 VanDerWaalsContact C-N 3.26Å; P330-E332 WeakPolarHBondContact CB-O 3.36Å; P330-E332 WeakPolarHBondContact CG-O 3.24Å; P330-E332 PolarHBondContact O-N 3.31Å; E332-Y364 CarbonylContact C-O 3.6Å; E332-Y364 VanDerWaalsContact CA-O 3.22Å; E332-Y364 WeakPolarHBondContact CA-O 3.37Å
333L97.4Very high93.2Very high5 Ų538.7 Ų38.73%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-125.6127.4-176.4177.868.1000109.5L263 L267 F308 P330 M335 K363 Y364 Y418L263-L333 HydrophobicContact CD2-CD1 4.32Å; L263-L333 HydrophobicContact CD2-CD2 3.88Å; L267-L333 HydrophobicContact CD1-CD1 4.31Å; L267-L333 HydrophobicContact CD1-CD2 4.24Å; F308-L333 HydrophobicContact CD2-CD2 4.48Å; F308-L333 HydrophobicContact CE2-CD2 3.5Å; F308-L333 VanDerWaalsContact CE2-CD2 3.5Å; F308-L333 HydrophobicContact CZ-CD2 3.59Å; P330-L333 HydrophobicContact CG-CB 4.38Å; P330-L333 HydrophobicContact CG-CD1 4.26Å; L333-M335 HydrophobicContact CD2-CG 4.25Å; L333-M335 HydrophobicContact CD2-SD 3.7Å; L333-M335 HydrophobicContact CG-CG 4.36Å; L333-M335 HydrophobicContact CG-SD 4.11Å; L333-K363 CarbonylContact O-C 3.56Å; L333-K363 WeakPolarHBondContact O-CA 3.47Å; L333-Y364 PolarHBondContact N-O 3.4Å; L333-Y364 PolarHBondContact O-N 2.98Å; L333-Y418 HydrophobicContact CB-CD1 4.09Å; L333-Y418 HydrophobicContact CB-CE1 3.81Å
334D96.3Very high92.4Very high66 Ų6643.9 Ų43.935%0.35324%0.242SC..EExtended strand (participates in β ladder)trans-97.5114.7171-175-1.6000110T336 P337D334-T336 WeakPolarHBondContact OD1-CB 3.45Å; D334-T336 PolarHBondContact OD1-N 3.39Å; D334-T336 PolarHBondContact OD1-OG1 3.42Å; D334-P337 WeakPolarHBondContact O-CD 3.39Å
335M96.2Very high91.2Very high1 Ų141.7 Ų41.71%0.00523%0.231CC..  trans-87.7-6179.6-71.7-63.7-68.200113.7I229 L267 M299 L302 F308 L333 P337 F338 N362 Y364I229-M335 HydrophobicContact CD1-CE 4.46Å; L267-M335 HydrophobicContact CD1-SD 3.86Å; L267-M335 HydrophobicContact CD2-CE 4.39Å; M299-M335 HydrophobicContact CG-CE 4Å; L302-M335 HydrophobicContact CD1-CB 3.86Å; L302-M335 HydrophobicContact CD2-CB 3.96Å; L302-M335 HydrophobicContact CD2-CE 4.07Å; L302-M335 HydrophobicContact CD2-CG 4.27Å; F308-M335 HydrophobicContact CE1-CE 4.24Å; F308-M335 HydrophobicContact CE1-SD 4.32Å; F308-M335 HydrophobicContact CZ-CE 4.12Å; F308-M335 HydrophobicContact CZ-SD 3.78Å; L333-M335 HydrophobicContact CD2-CG 4.25Å; L333-M335 HydrophobicContact CD2-SD 3.7Å; L333-M335 HydrophobicContact CG-CG 4.36Å; L333-M335 HydrophobicContact CG-SD 4.11Å; M335-P337 VanDerWaalsContact C-N 3.33Å; M335-F338 HydrophobicContact CE-CB 4.34Å; M335-F338 HydrophobicContact CE-CD2 4.09Å; M335-F338 PolarHBondContact O-N 3.03Å; M335-F338 HydrophobicContact SD-CD2 3.83Å; M335-F338 HydrophobicContact SD-CE2 4.36Å; M335-N362 PolarHBondContact N-O 2.94Å; M335-Y364 HydrophobicContact CB-CD2 4.42Å; M335-Y364 HydrophobicContact CB-CE2 4.18Å; M335-Y364 HydrophobicContact CG-CD2 3.8Å; M335-Y364 HydrophobicContact CG-CE2 3.76Å
336T94.9Very high90Very high38 Ų3848.1 Ų48.123%0.23325%0.249CC..G310 helixtrans-49.8-43.6-178.4-550000113.7D334 F338 M339 S342 N362D334-T336 WeakPolarHBondContact OD1-CB 3.45Å; D334-T336 PolarHBondContact OD1-N 3.39Å; D334-T336 PolarHBondContact OD1-OG1 3.42Å; T336-F338 PolarHBondContact O-N 2.54Å; T336-F338 VanDerWaalsContact O-N 3.11Å; T336-M339 WeakPolarHBondContact O-CB 3.4Å; T336-M339 PolarHBondContact O-N 3.11Å; T336-S342 VanDerWaalsContact O-CB 3.31Å; T336-S342 WeakPolarHBondContact O-CB 3.34Å; T336-S342 PolarHBondContact O-OG 3.33Å; T336-N362 VanDerWaalsContact OG1-CB 3.27Å; T336-N362 WeakPolarHBondContact OG1-CB 3.49Å; T336-N362 PolarHBondContact OG1-ND2 2.85Å; T336-N362 VanDerWaalsContact OG1-ND2 3.1Å
337P94.9Very high88.4Confident68 Ų6851.2 Ų51.244%0.44227%0.268SS..G310 helixtrans-63.9-17.7-178.8-2335.6000114.7D334 M335D334-P337 WeakPolarHBondContact O-CD 3.39Å; M335-P337 VanDerWaalsContact C-N 3.33Å
338F96.2Very high86.6Confident9 Ų957.1 Ų57.14%0.03930%0.3CS..G310 helixtrans-101.60.3-175.4-50.2-59.5000112.7T264 L267 R268 T271 M299 M335 T336T264-F338 HydrophobicContact CG2-CZ 3.95Å; L267-F338 HydrophobicContact CB-CD1 4.05Å; L267-F338 HydrophobicContact CB-CD2 4.14Å; L267-F338 HydrophobicContact CB-CE1 3.64Å; L267-F338 HydrophobicContact CB-CE2 3.75Å; L267-F338 HydrophobicContact CB-CG 4.28Å; L267-F338 HydrophobicContact CB-CZ 3.47Å; L267-F338 VanDerWaalsContact CB-CZ 3.47Å; L267-F338 HydrophobicContact CD1-CD2 4.12Å; L267-F338 HydrophobicContact CD1-CE2 3.71Å; L267-F338 HydrophobicContact CD1-CZ 4.22Å; L267-F338 HydrophobicContact CG-CE2 4.34Å; L267-F338 HydrophobicContact CG-CZ 4.49Å; R268-F338 HydrophobicContact CB-CE1 4.23Å; T271-F338 HydrophobicContact CG2-CB 4.1Å; T271-F338 HydrophobicContact CG2-CD1 4.18Å; M299-F338 HydrophobicContact CG-CB 4.47Å; M299-F338 PolarHBondContact N-O 2.79Å; M335-F338 HydrophobicContact CE-CB 4.34Å; M335-F338 HydrophobicContact CE-CD2 4.09Å; M335-F338 PolarHBondContact O-N 3.03Å; M335-F338 HydrophobicContact SD-CD2 3.83Å; M335-F338 HydrophobicContact SD-CE2 4.36Å; T336-F338 PolarHBondContact O-N 2.54Å; T336-F338 VanDerWaalsContact O-N 3.11Å
339M95.8Very high84.6Confident18 Ų1858.2 Ų58.29%0.08932%0.317CS..BIsolated β-bridgetrans-76143.5177.8-63.2-59.2-69.200112.3M299 L302 T336 S341 S342 K343M299-M339 HydrophobicContact CB-SD 3.59Å; M299-M339 VanDerWaalsContact CB-SD 3.59Å; M299-M339 CarbonylContact O-C 3.59Å; M299-M339 VanDerWaalsContact O-CA 3.29Å; M299-M339 WeakPolarHBondContact O-CA 3.23Å; L302-M339 HydrophobicContact CD1-CE 4.24Å; L302-M339 HydrophobicContact CD1-SD 3.49Å; L302-M339 WeakPolarHBondContact CD1-SD 3.27Å; L302-M339 HydrophobicContact CD2-SD 3.9Å; L302-M339 HydrophobicContact CG-CE 4.04Å; L302-M339 HydrophobicContact CG-SD 3.43Å; L302-M339 WeakPolarHBondContact CG-SD 3.48Å; T336-M339 WeakPolarHBondContact O-CB 3.4Å; T336-M339 PolarHBondContact O-N 3.11Å; M339-S341 VanDerWaalsContact C-N 3.3Å; M339-S341 PolarHBondContact O-N 3.37Å; M339-S342 WeakPolarHBondContact O-CB 3.36Å; M339-S342 PolarHBondContact O-N 3.48Å; M339-K343 PolarHBondContact O-N 2.91Å
340A93.8Very high82.2Confident4 Ų463.6 Ų63.63%0.03334%0.342CS..Hα-helixtrans-58.9-39.9173.800000112.2M299 S342 K343 E344M299-A340 PolarHBondContact O-N 2.81Å; A340-S342 VanDerWaalsContact C-N 3.3Å; A340-S342 PolarHBondContact O-N 3.21Å; A340-K343 WeakPolarHBondContact O-CB 3.26Å; A340-K343 PolarHBondContact O-N 2.89Å; A340-K343 VanDerWaalsContact O-N 3.07Å; A340-E344 PolarHBondContact O-N 3.11Å
341S89.4Confident79.7Confident69 Ų6969.6 Ų69.648%0.48337%0.372SS..Hα-helixtrans-61.4-35176.853.70000113.3M339 K343 E344 S345M339-S341 VanDerWaalsContact C-N 3.3Å; M339-S341 PolarHBondContact O-N 3.37Å; S341-K343 VanDerWaalsContact C-N 3.28Å; S341-K343 PolarHBondContact O-N 3.11Å; S341-E344 PolarHBondContact O-N 2.88Å; S341-S345 PolarHBondContact O-N 2.87Å; S341-S345 VanDerWaalsContact O-N 3.08Å
342S83.4Confident77.1Confident24 Ų2473.2 Ų73.217%0.16839%0.388CS..Hα-helixtrans-68.3-28.3176.2-64.40000112.2T336 M339 A340 R346T336-S342 VanDerWaalsContact O-CB 3.31Å; T336-S342 WeakPolarHBondContact O-CB 3.34Å; T336-S342 PolarHBondContact O-OG 3.33Å; M339-S342 WeakPolarHBondContact O-CB 3.36Å; M339-S342 PolarHBondContact O-N 3.48Å; A340-S342 VanDerWaalsContact C-N 3.3Å; A340-S342 PolarHBondContact O-N 3.21Å; S342-R346 WeakPolarHBondContact O-CG 3.37Å; S342-R346 PolarHBondContact O-N 3.43Å
343K74.7Confident74.4Confident41 Ų4174.3 Ų74.318%0.17840%0.397CS..Hα-helixtrans-70.9-44.8171.9170.2-173.5167.6-178.90111.3D210 Q296 M339 A340 S341 S345 R346 M347D210-K343 IonicContact OD2-NZ 2.65Å; D210-K343 PolarHBondContact OD2-NZ 3.22Å; Q296-K343 VanDerWaalsContact OE1-CE 3.29Å; M339-K343 PolarHBondContact O-N 2.91Å; A340-K343 WeakPolarHBondContact O-CB 3.26Å; A340-K343 PolarHBondContact O-N 2.89Å; A340-K343 VanDerWaalsContact O-N 3.07Å; S341-K343 VanDerWaalsContact C-N 3.28Å; S341-K343 PolarHBondContact O-N 3.11Å; K343-S345 PolarHBondContact O-N 3.13Å; K343-R346 PolarHBondContact O-N 3.32Å; K343-M347 PolarHBondContact O-N 2.87Å; K343-M347 VanDerWaalsContact O-N 3.13Å
344E73Confident71.7Confident112 Ų11279.5 Ų79.552%0.52343%0.43SS..Hα-helixtrans-61.3-42.1178.9-67.8176.2177.900112.1A340 S341 R346 M347 N348A340-E344 PolarHBondContact O-N 3.11Å; S341-E344 PolarHBondContact O-N 2.88Å; E344-R346 VanDerWaalsContact C-N 3.33Å; E344-R346 PolarHBondContact O-N 2.85Å; E344-M347 PolarHBondContact O-N 3.33Å; E344-N348 PolarHBondContact O-N 3.29Å
345S63.4Low69.1Low51 Ų5180.4 Ų80.436%0.35744%0.439SS..Hα-helixtrans-60.3-40.2175.61690000112.6S341 K343 Q350S341-S345 PolarHBondContact O-N 2.87Å; S341-S345 VanDerWaalsContact O-N 3.08Å; K343-S345 PolarHBondContact O-N 3.13Å; S345-Q350 PolarHBondContact OG-O 2.83Å
346R66.4Low66.4Low190 Ų19088.6 Ų88.672%0.71748%0.482SS*.Hα-helixtrans-67.3-36.2176.7-70.1177.9-172.5-169.43112.8S342 K343 E344S342-R346 WeakPolarHBondContact O-CG 3.37Å; S342-R346 PolarHBondContact O-N 3.43Å; K343-R346 PolarHBondContact O-N 3.32Å; E344-R346 VanDerWaalsContact C-N 3.33Å; E344-R346 PolarHBondContact O-N 2.85Å
347M59.6Low64.1Low146 Ų14690.9 Ų90.972%0.71950%0.5SS*.Hα-helixtrans-72-36.6178.3-78.3-176.4151.400112.8K343 E344 G349K343-M347 PolarHBondContact O-N 2.87Å; K343-M347 VanDerWaalsContact O-N 3.13Å; E344-M347 PolarHBondContact O-N 3.33Å; M347-G349 PolarHBondContact O-N 2.65Å
348N58.4Low61.9Low124 Ų12490 Ų9066%0.66350%0.504SS*.THydrogen-bonded Turntrans-79.25.1-176.3-72.5-22000114.4E344 Q350E344-N348 PolarHBondContact O-N 3.29Å; N348-Q350 PolarHBondContact O-N 2.78Å
349G52.9Low60.2Low63 Ų6393.7 Ų93.765%0.64952%0.524SS*.THydrogen-bonded Turntrans63.62.2178.700000114.6M347 L351M347-G349 PolarHBondContact O-N 2.65Å; G349-L351 PolarHBondContact O-N 3.15Å
350Q48.7Very low59.1Low114 Ų11496 Ų9653%0.53354%0.536SS..  trans-76.181.5168.2-67.7-171.42.500107.5S345 N348 Q352S345-Q350 PolarHBondContact OG-O 2.83Å; N348-Q350 PolarHBondContact O-N 2.78Å; Q350-Q352 HydrophobicContact CB-CG 4.44Å; Q350-Q352 PolarHBondContact O-N 2.77Å
351L43.9Very low58.6Low156 Ų15699.9 Ų99.982%0.81755%0.553SS**  trans-61.473.8145-98.1127000106.6G349 L353G349-L351 PolarHBondContact O-N 3.15Å; L351-L353 PolarHBondContact O-N 3.1Å
352Q41.8Very low58.8Low125 Ų12597.4 Ų97.458%0.58454%0.535SS*.  trans-58.8105.3144.8-66.2-172.529.600102.5Q350Q350-Q352 HydrophobicContact CB-CG 4.44Å; Q350-Q352 PolarHBondContact O-N 2.77Å
353L41.5Very low59.4Low137 Ų13799.4 Ų99.472%0.71754%0.541SS*.  trans-40.3131.8159.4-82.289.3000104.9L351 T355L351-L353 PolarHBondContact O-N 3.1Å; L353-T355 VanDerWaalsContact C-N 3.3Å; L353-T355 PolarHBondContact O-N 3.17Å
354P41.4Very low60.5Low113 Ų11397.4 Ų97.473%0.73453%0.532SS*.  trans-47.6109.2-179.819.2-30.3000105.3N356P354-N356 PolarHBondContact O-N 3.4Å
355T40.5Very low61.6Low86 Ų8692.5 Ų92.553%0.52851%0.51SS..  trans-55.8120.4173.146.90000101.6L353 S357L353-T355 VanDerWaalsContact C-N 3.3Å; L353-T355 PolarHBondContact O-N 3.17Å; T355-S357 CarbonylContact O-C 3.53Å; T355-S357 VanDerWaalsContact O-C 3.27Å; T355-S357 WeakPolarHBondContact O-CA 3.3Å; T355-S357 PolarHBondContact O-N 3.48Å; T355-S357 VanDerWaalsContact O-O 3.08Å
356N40Very low63.3Low172 Ų17290.1 Ų90.192%0.9249%0.493SS*.SBendtrans-56.63.3176.4-93.1-10.6000112.5P354 G358P354-N356 PolarHBondContact O-N 3.4Å; N356-G358 PolarHBondContact O-N 2.97Å
357S45.7Very low64.7Low87 Ų8781.3 Ų81.361%0.60846%0.46SS*.SBendtrans-5382.3147.9-52.50000110.1T355 N359T355-S357 CarbonylContact O-C 3.53Å; T355-S357 VanDerWaalsContact O-C 3.27Å; T355-S357 WeakPolarHBondContact O-CA 3.3Å; T355-S357 PolarHBondContact O-N 3.48Å; T355-S357 VanDerWaalsContact O-O 3.08Å; S357-N359 PolarHBondContact O-N 3.41Å
358G50.5Low66.6Low50 Ų5074.3 Ų74.352%0.51543%0.426SS..  trans-52.4104.4171.400000109.9N356 N360N356-G358 PolarHBondContact O-N 2.97Å; G358-N360 PolarHBondContact O-N 3.49Å
359N59.8Low68.5Low86 Ų8668.4 Ų68.446%0.4639%0.394SS..  trans-67.971.6163.8-99.617.3000108S357 E361 N362S357-N359 PolarHBondContact O-N 3.41Å; N359-E361 PolarHBondContact O-N 3.02Å; N359-E361 VanDerWaalsContact O-N 3.08Å; N359-N362 PolarHBondContact O-N 2.91Å
360N72.1Confident70.7Confident66 Ų6665.4 Ų65.435%0.35336%0.363SS..G310 helixtrans-61.6-8168.9-71.1-25.6000111.2G358 N362 K363 V422G358-N360 PolarHBondContact O-N 3.49Å; N360-N362 VanDerWaalsContact C-N 3.28Å; N360-N362 PolarHBondContact O-N 2.75Å; N360-K363 PolarHBondContact O-N 2.66Å; N360-K363 WeakPolarHBondContact OD1-CD 3.42Å; N360-K363 WeakPolarHBondContact OD1-CE 3.37Å; N360-K363 PolarHBondContact OD1-NZ 3.12Å; N360-V422 HydrophobicContact CB-CG2 3.8Å
361E84.2Confident73Confident85 Ų8560.4 Ų60.440%0.39734%0.34SS..G310 helixtrans-59.6-33.5176.4-60.2-179.5162.800113.3N359N359-E361 PolarHBondContact O-N 3.02Å; N359-E361 VanDerWaalsContact O-N 3.08Å
362N93.7Very high75.4Confident18 Ų1853.4 Ų53.410%0.09630%0.303CS..G310 helixtrans-98.36.2-179.4-62.9-24.4000113L302 M335 T336 N359 N360 Y364L302-N362 HydrophobicContact CD1-CB 4.05Å; L302-N362 VanDerWaalsContact CD1-OD1 3.29Å; L302-N362 WeakPolarHBondContact CD1-OD1 3.27Å; M335-N362 PolarHBondContact N-O 2.94Å; T336-N362 VanDerWaalsContact OG1-CB 3.27Å; T336-N362 WeakPolarHBondContact OG1-CB 3.49Å; T336-N362 PolarHBondContact OG1-ND2 2.85Å; T336-N362 VanDerWaalsContact OG1-ND2 3.1Å; N359-N362 PolarHBondContact O-N 2.91Å; N360-N362 VanDerWaalsContact C-N 3.28Å; N360-N362 PolarHBondContact O-N 2.75Å; N362-Y364 WeakPolarHBondContact O-CD2 3.46Å
363K95.7Very high77.8Confident65 Ų6552.9 Ų52.928%0.28330%0.301SS..EExtended strand (participates in β ladder)trans-88.8139.8178.1-68.7-174.3-178.31700110.8L333 N360 K420 Q421L333-K363 CarbonylContact O-C 3.56Å; L333-K363 WeakPolarHBondContact O-CA 3.47Å; N360-K363 PolarHBondContact O-N 2.66Å; N360-K363 WeakPolarHBondContact OD1-CD 3.42Å; N360-K363 WeakPolarHBondContact OD1-CE 3.37Å; N360-K363 PolarHBondContact OD1-NZ 3.12Å; K363-K420 WeakPolarHBondContact O-CA 3.19Å; K363-Q421 HydrophobicContact CB-CB 4.41Å; K363-Q421 HydrophobicContact CB-CG 4.19Å; K363-Q421 PolarHBondContact O-N 3.19Å
364Y97.3Very high80Confident0 Ų048.6 Ų48.60%029%0.289CS..EExtended strand (participates in β ladder)trans-125.3154.2-177.2-79.6-97.3000111.3L302 P303 A306 E332 L333 M335 N362 H419 K420 Q421L302-Y364 WeakPolarHBondContact CB-OH 3.45Å; L302-Y364 HydrophobicContact CD1-CE2 4.19Å; P303-Y364 PolarHBondContact O-OH 2.9Å; A306-Y364 HydrophobicContact CB-CD1 4.11Å; A306-Y364 HydrophobicContact CB-CE1 3.65Å; E332-Y364 CarbonylContact C-O 3.6Å; E332-Y364 VanDerWaalsContact CA-O 3.22Å; E332-Y364 WeakPolarHBondContact CA-O 3.37Å; L333-Y364 PolarHBondContact N-O 3.4Å; L333-Y364 PolarHBondContact O-N 2.98Å; M335-Y364 HydrophobicContact CB-CD2 4.42Å; M335-Y364 HydrophobicContact CB-CE2 4.18Å; M335-Y364 HydrophobicContact CG-CD2 3.8Å; M335-Y364 HydrophobicContact CG-CE2 3.76Å; N362-Y364 WeakPolarHBondContact O-CD2 3.46Å; Y364-H419 CarbonylContact C-O 3.39Å; Y364-H419 VanDerWaalsContact CA-O 3.24Å; Y364-H419 WeakPolarHBondContact CA-O 3.48Å; Y364-H419 WeakPolarHBondContact CD1-O 3.38Å; Y364-K420 HydrophobicContact CD1-CG 4.25Å; Y364-K420 HydrophobicContact CE1-CB 4.37Å; Y364-K420 HydrophobicContact CE1-CG 3.59Å; Y364-K420 HydrophobicContact CE2-CG 3.97Å; Y364-K420 VanDerWaalsContact CZ-CG 3.44Å; Y364-Q421 PolarHBondContact O-NE2 3.11Å
365S96.2Very high82.1Confident9 Ų947.2 Ų47.26%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-122.8130.1172.2-70.60000110.2L331 F367 Y418 H419 Q421L331-S365 WeakPolarHBondContact O-CA 3.21Å; S365-F367 PolarHBondContact O-N 3.48Å; S365-Y418 WeakPolarHBondContact O-CA 3.31Å; S365-H419 PolarHBondContact N-O 2.74Å; S365-H419 PolarHBondContact O-CD2 2.8Å; S365-H419 PolarHBondContact O-N 3.48Å; S365-Q421 WeakPolarHBondContact OG-CG 3.43Å; S365-Q421 PolarHBondContact OG-NE2 3.03Å
366L98.1Very high83.8Confident0 Ų046 Ų460%027%0.269CS..EExtended strand (participates in β ladder)trans-65132.4174.7-171.972000108.9F329 L331 V369 R386 W392 V408 L416 Y418F329-L366 HydrophobicContact CD2-CD2 3.85Å; F329-L366 HydrophobicContact CE2-CD2 3.78Å; L331-L366 HydrophobicContact CD2-CD2 4.24Å; L331-L366 PolarHBondContact O-N 3.28Å; L366-V369 HydrophobicContact CD1-CG2 3.93Å; L366-V369 HydrophobicContact CD2-CG2 3.64Å; L366-V369 HydrophobicContact CG-CG2 4.06Å; L366-R386 VanDerWaalsContact O-CD 3.26Å; L366-R386 WeakPolarHBondContact O-CD 3.38Å; L366-R386 PolarHBondContact O-NH1 3.11Å; L366-W392 HydrophobicContact CB-CH2 4.36Å; L366-W392 HydrophobicContact CD2-CH2 3.92Å; L366-W392 HydrophobicContact CD2-CZ2 4.4Å; L366-W392 HydrophobicContact CG-CH2 3.88Å; L366-V408 HydrophobicContact CD2-CG1 4.31Å; L366-L416 HydrophobicContact CD1-CB 4.1Å; L366-L416 HydrophobicContact CD1-CD2 4.48Å; L366-Y418 HydrophobicContact CB-CD1 3.95Å; L366-Y418 HydrophobicContact CB-CE1 3.54Å; L366-Y418 HydrophobicContact CD1-CD1 4.36Å; L366-Y418 HydrophobicContact CD1-CD2 3.83Å; L366-Y418 HydrophobicContact CD1-CE1 3.96Å; L366-Y418 HydrophobicContact CD1-CE2 3.41Å; L366-Y418 VanDerWaalsContact CD1-CE2 3.41Å; L366-Y418 HydrophobicContact CD1-CG 4.29Å; L366-Y418 VanDerWaalsContact CD1-CZ 3.46Å; L366-Y418 HydrophobicContact CG-CE1 4.31Å; L366-Y418 VanDerWaalsContact N-CD1 3.26Å
367F97.3Very high85.6Confident5 Ų544.2 Ų44.22%0.02226%0.255CS..EExtended strand (participates in β ladder)trans-134.1-18.5175.977.1-84.3000114.6T99 V305 S365 R386 F417 H419T99-F367 WeakPolarHBondContact OG1-CZ 3.43Å; V305-F367 HydrophobicContact CG1-CE1 3.93Å; V305-F367 HydrophobicContact CG1-CZ 4.06Å; S365-F367 PolarHBondContact O-N 3.48Å; F367-R386 HydrophobicContact CB-CB 4.14Å; F367-R386 PolarHBondContact O-N 3.45Å; F367-F417 HydrophobicContact CD1-CB 4.16Å; F367-F417 WeakPolarHBondContact CD1-O 3.44Å; F367-F417 HydrophobicContact CE1-CB 3.52Å; F367-F417 HydrophobicContact CE2-CB 4.23Å; F367-F417 HydrophobicContact CZ-CB 3.56Å; F367-F417 HydrophobicContact CZ-CG 4.4Å; F367-F417 PolarHBondContact N-O 3.13Å; F367-H419 HydrophobicContact CD1-CB 4.13Å; F367-H419 AromaticContact CD1-CD2 3.66Å; F367-H419 HydrophobicContact CE1-CB 4.22Å; F367-H419 AromaticContact CG-CD2 4Å
368A98.3Very high87.5Confident0 Ų043.5 Ų43.50%025%0.25CC..EExtended strand (participates in β ladder)trans-142.2143.4169.500000112.1A95 F384 I385 F417A95-A368 HydrophobicContact CB-CB 3.96Å; A368-F384 CarbonylContact C-O 3.58Å; A368-F384 WeakPolarHBondContact CA-O 3.33Å; A368-I385 HydrophobicContact CB-CD1 3.63Å; A368-F417 HydrophobicContact CB-CB 3.98Å; A368-F417 HydrophobicContact CB-CD2 3.97Å; A368-F417 HydrophobicContact CB-CG 4.25Å; A368-F417 PolarHBondContact N-O 3.49Å; A368-F417 PolarHBondContact O-N 2.95Å
369V98.6Very high89.3Confident0 Ų042 Ų420%024%0.235CC..EExtended strand (participates in β ladder)trans-130.2120.5174.1177.80000107.8F329 L366 S383 F384 V408 L415 L416F329-V369 HydrophobicContact CE2-CG2 3.85Å; F329-V369 HydrophobicContact CZ-CG1 4.08Å; F329-V369 HydrophobicContact CZ-CG2 4.18Å; L366-V369 HydrophobicContact CD1-CG2 3.93Å; L366-V369 HydrophobicContact CD2-CG2 3.64Å; L366-V369 HydrophobicContact CG-CG2 4.06Å; V369-S383 CarbonylContact O-C 3.49Å; V369-S383 WeakPolarHBondContact O-CA 3.31Å; V369-F384 HydrophobicContact CB-CB 4.3Å; V369-F384 HydrophobicContact CB-CD2 4.48Å; V369-F384 PolarHBondContact N-O 2.61Å; V369-F384 PolarHBondContact O-N 2.94Å; V369-V408 HydrophobicContact CG2-CG1 3.85Å; V369-L415 WeakPolarHBondContact CA-O 3.33Å; V369-L416 HydrophobicContact CB-CD2 4.35Å; V369-L416 HydrophobicContact CG1-CD2 3.86Å; V369-L416 HydrophobicContact CG2-CD2 3.95Å
370V98.4Very high90.9Very high0 Ų040.5 Ų40.50%023%0.225CC..EExtended strand (participates in β ladder)trans-97.3128.8170.8-179.90000107.9C91 I92 Y381 Y414 L415 F417C91-V370 HydrophobicContact CB-CG1 3.81Å; C91-V370 HydrophobicContact CB-CG2 4.03Å; I92-V370 HydrophobicContact CD1-CG2 4.44Å; V370-Y381 HydrophobicContact CG1-CD1 3.82Å; V370-Y414 WeakPolarHBondContact O-CA 3.24Å; V370-Y414 WeakPolarHBondContact O-CB 3.49Å; V370-Y414 PolarHBondContact O-N 3.03Å; V370-L415 HydrophobicContact CB-CB 3.99Å; V370-L415 HydrophobicContact CB-CD1 4.4Å; V370-L415 HydrophobicContact CB-CG 4.45Å; V370-L415 HydrophobicContact CG2-CB 4.31Å; V370-L415 HydrophobicContact CG2-CD1 4.48Å; V370-L415 PolarHBondContact N-O 2.71Å; V370-L415 PolarHBondContact O-N 3.24Å; V370-L415 VanDerWaalsContact O-N 3.09Å; V370-F417 HydrophobicContact CG2-CE2 3.88Å
371N97.3Very high92.1Very high8 Ų838 Ų384%0.04321%0.21CC..EExtended strand (participates in β ladder)trans-109.9150.9176.3-64.8-55000109.7Y381 T382 F384 S411 E412 G413N371-Y381 VanDerWaalsContact O-CA 3.28Å; N371-Y381 WeakPolarHBondContact O-CA 3.16Å; N371-T382 PolarHBondContact N-O 3.29Å; N371-T382 PolarHBondContact O-N 3.26Å; N371-F384 WeakPolarHBondContact ND2-CD2 3.35Å; N371-F384 WeakPolarHBondContact ND2-CE2 3.49Å; N371-S411 PolarHBondContact ND2-OG 3.5Å; N371-S411 PolarHBondContact OD1-OG 3.04Å; N371-E412 PolarHBondContact OD1-O 2.73Å; N371-G413 VanDerWaalsContact OD1-CA 3.27Å; N371-G413 WeakPolarHBondContact OD1-CA 3.45Å; N371-G413 PolarHBondContact OD1-N 2.92Å
372H94.5Very high92.8Very high9 Ų934 Ų344%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-125.3122.3171.7176.5-94.2000109.7F313 K322 T375 G379 Y381 Y414F313-H372 AromaticContact CE1-CE1 3.84Å; F313-H372 AromaticContact CE1-ND1 3.81Å; F313-H372 AromaticContact CZ-CE1 3.64Å; F313-H372 AromaticContact CZ-CG 3.8Å; F313-H372 AromaticContact CZ-ND1 3.49Å; F313-H372 WeakPolarHBondContact CZ-ND1 3.5Å; K322-H372 PolarHBondContact NZ-O 3.12Å; H372-T375 PolarHBondContact CE1-O 3.41Å; H372-G379 WeakPolarHBondContact NE2-CA 3.42Å; H372-Y381 HydrophobicContact CB-CD1 3.91Å; H372-Y381 HydrophobicContact CB-CE1 3.68Å; H372-Y381 AromaticContact CD2-CD1 3.99Å; H372-Y381 AromaticContact CD2-CD2 3.87Å; H372-Y381 AromaticContact CD2-CE1 3.64Å; H372-Y381 AromaticContact CD2-CE2 3.5Å; H372-Y381 VanDerWaalsContact CD2-CE2 3.5Å; H372-Y381 WeakPolarHBondContact CD2-CE2 3.31Å; H372-Y381 AromaticContact CD2-CZ 3.39Å; H372-Y381 AromaticContact CG-CE1 3.98Å; H372-Y414 HydrophobicContact CB-CG 4.38Å
373Q92.3Very high93Very high115 Ų11533.2 Ų33.254%0.53719%0.188SC..EExtended strand (participates in β ladder)trans-106.2144.2173.6-65-177-4.800110.1G379 H380Q373-G379 CarbonylContact O-C 3.59Å; Q373-G379 WeakPolarHBondContact O-CA 3.43Å; Q373-H380 PolarHBondContact N-O 2.95Å; Q373-H380 PolarHBondContact O-N 3.39Å
374G89Confident93.1Very high46 Ų4630.9 Ų30.947%0.47418%0.178SC..EExtended strand (participates in β ladder)trans105.8-157.3-179.400000114.1K322 S378K322-G374 VanDerWaalsContact CD-O 3.26Å; K322-G374 WeakPolarHBondContact CD-O 3.37Å; G374-S378 CarbonylContact C-O 3.45Å
375T84.7Confident93.1Very high84 Ų8430.9 Ų30.952%0.51518%0.178SC..  trans-106.7179.9-173.371.20000111.3H372 E377 S378H372-T375 PolarHBondContact CE1-O 3.41Å; T375-E377 VanDerWaalsContact C-N 3.31Å; T375-E377 PolarHBondContact O-N 3.48Å; T375-E377 PolarHBondContact OG1-N 3.07Å; T375-S378 PolarHBondContact N-O 2.97Å; T375-S378 CarbonylContact O-C 3.52Å; T375-S378 PolarHBondContact OG1-N 3.18Å; T375-S378 PolarHBondContact OG1-O 2.87Å
376L76.8Confident93.1Very high61 Ų6132.9 Ų32.932%0.31918%0.184SC..SBendtrans-65.4-30.6174.3-79163.1000114.4F313 R320 R321F313-L376 HydrophobicContact CB-CD2 3.58Å; F313-L376 HydrophobicContact CD1-CD2 3.22Å; F313-L376 HydrophobicContact CD1-CG 3.99Å; F313-L376 HydrophobicContact CE1-CD2 4.06Å; F313-L376 HydrophobicContact CG-CD2 3.62Å; R320-L376 VanDerWaalsContact C-CD1 3.4Å; R320-L376 HydrophobicContact CB-CD1 3.66Å; R321-L376 VanDerWaalsContact C-CD1 3.48Å
377E77.7Confident92.7Very high134 Ų13433.7 Ų33.763%0.62619%0.188SC*.SBendtrans-99.6-13.5-173.9-55.6-68.5159.500112Q162 R320 T375Q162-E377 VanDerWaalsContact OE1-C 3.29Å; Q162-E377 PolarHBondContact OE1-O 3.45Å; R320-E377 IonicContact NH1-OE1 3.91Å; R320-E377 PolarHBondContact NH1-OE1 2.61Å; T375-E377 VanDerWaalsContact C-N 3.31Å; T375-E377 PolarHBondContact O-N 3.48Å; T375-E377 PolarHBondContact OG1-N 3.07Å
378S84.1Confident92.1Very high72 Ų7237.9 Ų37.950%0.50321%0.207SC..SBendtrans-153.7120177.6-176.70000110.6G374 T375G374-S378 CarbonylContact C-O 3.45Å; T375-S378 PolarHBondContact N-O 2.97Å; T375-S378 CarbonylContact O-C 3.52Å; T375-S378 PolarHBondContact OG1-N 3.18Å; T375-S378 PolarHBondContact OG1-O 2.87Å
379G88.7Confident91.3Very high19 Ų1945.6 Ų45.620%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-158.7174.9174.100000114.7H372 Q373H372-G379 WeakPolarHBondContact NE2-CA 3.42Å; Q373-G379 CarbonylContact O-C 3.59Å; Q373-G379 WeakPolarHBondContact O-CA 3.43Å
380H94.3Very high90.7Very high54 Ų5450.1 Ų50.125%0.2527%0.265CS..EExtended strand (participates in β ladder)trans-132.9129.3-177.8-173.748.6000110.4C87 Q373 D396 D397C87-H380 PolarHBondContact SG-ND1 2.85Å; C87-H380 VanDerWaalsContact SG-ND1 3.39Å; Q373-H380 PolarHBondContact N-O 2.95Å; Q373-H380 PolarHBondContact O-N 3.39Å; H380-D396 IonicContact CD2-OD1 3.29Å; H380-D396 IonicContact CE1-OD1 3.99Å; H380-D396 IonicContact NE2-OD1 3.23Å; H380-D396 PolarHBondContact NE2-OD1 2.72Å; H380-D397 IonicContact CE1-OD2 3.86Å; H380-D397 PolarHBondContact CE1-OD2 3.29Å
381Y97.1Very high90.4Very high13 Ų1353 Ų535%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-95.9136.4177-71.6-87.4000110.5C87 F88 D164 A165 V370 N371 H372 Y414C87-Y381 PolarHBondContact SG-N 3.47Å; C87-Y381 VanDerWaalsContact SG-N 3.36Å; F88-Y381 HydrophobicContact CB-CD2 3.58Å; F88-Y381 HydrophobicContact CB-CE2 3.71Å; F88-Y381 HydrophobicContact CB-CG 4.22Å; D164-Y381 PolarHBondContact OD1-OH 3.37Å; A165-Y381 HydrophobicContact CB-CD1 3.8Å; A165-Y381 HydrophobicContact CB-CE1 3.46Å; A165-Y381 VanDerWaalsContact CB-CE1 3.46Å; A165-Y381 HydrophobicContact CB-CE2 4.36Å; A165-Y381 HydrophobicContact CB-CG 4.36Å; A165-Y381 PolarHBondContact N-OH 3.36Å; V370-Y381 HydrophobicContact CG1-CD1 3.82Å; N371-Y381 VanDerWaalsContact O-CA 3.28Å; N371-Y381 WeakPolarHBondContact O-CA 3.16Å; H372-Y381 HydrophobicContact CB-CD1 3.91Å; H372-Y381 HydrophobicContact CB-CE1 3.68Å; H372-Y381 AromaticContact CD2-CD1 3.99Å; H372-Y381 AromaticContact CD2-CD2 3.87Å; H372-Y381 AromaticContact CD2-CE1 3.64Å; H372-Y381 AromaticContact CD2-CE2 3.5Å; H372-Y381 VanDerWaalsContact CD2-CE2 3.5Å; H372-Y381 WeakPolarHBondContact CD2-CE2 3.31Å; H372-Y381 AromaticContact CD2-CZ 3.39Å; H372-Y381 AromaticContact CG-CE1 3.98Å; Y381-Y414 HydrophobicContact CD1-CD1 4.45Å; Y381-Y414 AromaticContact CE1-CD1 3.67Å; Y381-Y414 HydrophobicContact CE1-CD1 3.67Å; Y381-Y414 AromaticContact CE1-CE1 3.85Å; Y381-Y414 HydrophobicContact CE1-CE1 3.85Å
382T98Very high90.4Very high2 Ų252.9 Ų52.91%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-134153.2170.857.30000109.1C91 N371 D396C91-T382 WeakPolarHBondContact SG-CA 3.19Å; C91-T382 PolarHBondContact SG-N 3.15Å; N371-T382 PolarHBondContact N-O 3.29Å; N371-T382 PolarHBondContact O-N 3.26Å; T382-D396 HydrophobicContact CG2-CB 4.23Å
383S98.3Very high90.5Very high1 Ų153.5 Ų53.51%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-125.6137.7179.362.20000112.2V369 C395V369-S383 CarbonylContact O-C 3.49Å; V369-S383 WeakPolarHBondContact O-CA 3.31Å; S383-C395 PolarHBondContact N-O 3.13Å; S383-C395 PolarHBondContact O-N 3.14Å; S383-C395 WeakPolarHBondContact OG-CB 3.39Å
384F98.5Very high90.8Very high16 Ų1650.6 Ų50.67%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-93135161.9-66.6-77.7000109.8A368 V369 N371 W392 F393 K394 A403 D407 V408A368-F384 CarbonylContact C-O 3.58Å; A368-F384 WeakPolarHBondContact CA-O 3.33Å; V369-F384 HydrophobicContact CB-CB 4.3Å; V369-F384 HydrophobicContact CB-CD2 4.48Å; V369-F384 PolarHBondContact N-O 2.61Å; V369-F384 PolarHBondContact O-N 2.94Å; N371-F384 WeakPolarHBondContact ND2-CD2 3.35Å; N371-F384 WeakPolarHBondContact ND2-CE2 3.49Å; F384-W392 HydrophobicContact CB-CE3 4.03Å; F384-W392 HydrophobicContact CB-CZ3 4.22Å; F384-F393 CarbonylContact C-O 3.57Å; F384-F393 VanDerWaalsContact CA-O 3.24Å; F384-F393 WeakPolarHBondContact CA-O 3.34Å; F384-K394 HydrophobicContact CD1-CB 3.8Å; F384-K394 HydrophobicContact CD1-CG 4.19Å; F384-K394 HydrophobicContact CE1-CB 3.59Å; F384-K394 HydrophobicContact CE1-CD 4.32Å; F384-K394 HydrophobicContact CE1-CG 3.82Å; F384-K394 HydrophobicContact CZ-CB 4.48Å; F384-K394 HydrophobicContact CZ-CD 4.46Å; F384-K394 HydrophobicContact CZ-CG 4.25Å; F384-A403 HydrophobicContact CD1-CB 3.66Å; F384-A403 HydrophobicContact CE1-CB 3.54Å; F384-D407 HydrophobicContact CE1-CB 4.48Å; F384-D407 HydrophobicContact CZ-CB 4.45Å; F384-V408 HydrophobicContact CB-CG1 4.29Å; F384-V408 HydrophobicContact CB-CG2 3.97Å; F384-V408 HydrophobicContact CD1-CG2 3.81Å; F384-V408 HydrophobicContact CD2-CG2 4.38Å; F384-V408 HydrophobicContact CE1-CG2 4.35Å; F384-V408 HydrophobicContact CG-CB 4.5Å; F384-V408 HydrophobicContact CG-CG1 4.49Å; F384-V408 HydrophobicContact CG-CG2 3.82Å
385I97.5Very high91.2Very high0 Ų048.6 Ų48.60%024%0.244CC..EExtended strand (participates in β ladder)trans-124.7129.5180-58.2-61.8000109.2L77 Q94 H98 A368 W392 F393L77-I385 HydrophobicContact CD2-CG2 4.35Å; Q94-I385 HydrophobicContact CB-CD1 3.92Å; Q94-I385 HydrophobicContact CB-CG1 4.12Å; H98-I385 HydrophobicContact CB-CG2 3.76Å; H98-I385 VanDerWaalsContact CD2-CG2 3.42Å; H98-I385 WeakPolarHBondContact CD2-CG2 3.44Å; A368-I385 HydrophobicContact CB-CD1 3.63Å; I385-W392 WeakPolarHBondContact O-CA 3.47Å; I385-F393 PolarHBondContact N-O 2.69Å; I385-F393 PolarHBondContact O-N 3.27Å
386R95.5Very high91.8Very high52 Ų5246.8 Ų46.820%0.19623%0.231CC..EExtended strand (participates in β ladder)trans-82.4116168.7-169.5178.6179.5170.5-1.9108.4L366 F367 D390 W392L366-R386 VanDerWaalsContact O-CD 3.26Å; L366-R386 WeakPolarHBondContact O-CD 3.38Å; L366-R386 PolarHBondContact O-NH1 3.11Å; F367-R386 HydrophobicContact CB-CB 4.14Å; F367-R386 PolarHBondContact O-N 3.45Å; R386-D390 IonicContact CZ-OD1 3.62Å; R386-D390 IonicContact NE-OD1 3.6Å; R386-D390 PolarHBondContact NE-OD1 3.44Å; R386-D390 IonicContact NH2-OD1 2.66Å; R386-D390 PolarHBondContact NH2-OD1 2.94Å; R386-D390 IonicContact NH2-OD2 3.79Å; R386-W392 HydrophobicContact CB-CD2 3.98Å; R386-W392 HydrophobicContact CB-CE3 4.01Å; R386-W392 HydrophobicContact CB-CH2 3.71Å; R386-W392 HydrophobicContact CB-CZ2 3.67Å; R386-W392 HydrophobicContact CB-CZ3 3.89Å; R386-W392 HydrophobicContact CG-CD2 4.38Å; R386-W392 HydrophobicContact CG-CH2 4.49Å; R386-W392 HydrophobicContact CG-CZ2 3.95Å
387H90.3Very high92.7Very high17 Ų1745 Ų458%0.07922%0.222CC..  trans-101.1-167.9176.1-162.1-103.6000110.6F73 I75 L77 D390 Q391 F393F73-H387 PolarHBondContact O-CE1 3.21Å; I75-H387 PolarHBondContact O-NE2 2.95Å; L77-H387 HydrophobicContact CD1-CB 3.91Å; L77-H387 VanDerWaalsContact CD1-CG 3.49Å; L77-H387 HydrophobicContact CD2-CB 4.44Å; L77-H387 HydrophobicContact CG-CB 4.44Å; L77-H387 WeakPolarHBondContact CG-CD2 3.49Å; H387-D390 PolarHBondContact O-N 3.44Å; H387-Q391 PolarHBondContact N-O 3.22Å; H387-F393 HydrophobicContact CB-CD2 3.85Å; H387-F393 HydrophobicContact CB-CE2 3.82Å
388H83.6Confident93.5Very high92 Ų9239 Ų3943%0.42620%0.196SC..G310 helixtrans-56.8148.6-179-65.3-58.2000112.5F73 D390 Q391F73-H388 AromaticContact CD1-CD2 3.69Å; F73-H388 AromaticContact CE1-CD2 3.85Å; F73-H388 AromaticContact CE1-NE2 3.75Å; H388-D390 PolarHBondContact O-N 3Å; H388-Q391 PolarHBondContact O-N 2.66Å
389K82.5Confident94.1Very high162 Ų16237.9 Ų37.970%0.70419%0.186SC*.G310 helixtrans55.634.7179.9-54.8179.9177.5178.90113.4Q391K389-Q391 PolarHBondContact O-N 2.97Å; K389-Q391 VanDerWaalsContact O-N 3.13Å
390D86.2Confident94.4Very high95 Ų9539 Ų3951%0.50819%0.187SC..G310 helixtrans58.626.8176.6-55.9-33.8000114.5R386 H387 H388R386-D390 IonicContact CZ-OD1 3.62Å; R386-D390 IonicContact NE-OD1 3.6Å; R386-D390 PolarHBondContact NE-OD1 3.44Å; R386-D390 IonicContact NH2-OD1 2.66Å; R386-D390 PolarHBondContact NH2-OD1 2.94Å; R386-D390 IonicContact NH2-OD2 3.79Å; H387-D390 PolarHBondContact O-N 3.44Å; H388-D390 PolarHBondContact O-N 3Å
391Q92.6Very high94.4Very high61 Ų6139.7 Ų39.729%0.28520%0.195SC..  trans-81.9127.6173.8-63.7-168.8-45.400109.9H387 H388 K389 F393H387-Q391 PolarHBondContact N-O 3.22Å; H388-Q391 PolarHBondContact O-N 2.66Å; K389-Q391 PolarHBondContact O-N 2.97Å; K389-Q391 VanDerWaalsContact O-N 3.13Å; Q391-F393 HydrophobicContact CB-CE2 3.75Å; Q391-F393 HydrophobicContact CB-CZ 4.41Å
392W96.9Very high94.3Very high5 Ų546.2 Ų46.22%0.01922%0.224CC..EExtended strand (participates in β ladder)trans-98141.9177.8-72.686.8000111.1L331 L366 F384 I385 R386 A403 V408L331-W392 HydrophobicContact CD2-CZ2 3.85Å; L366-W392 HydrophobicContact CB-CH2 4.36Å; L366-W392 HydrophobicContact CD2-CH2 3.92Å; L366-W392 HydrophobicContact CD2-CZ2 4.4Å; L366-W392 HydrophobicContact CG-CH2 3.88Å; F384-W392 HydrophobicContact CB-CE3 4.03Å; F384-W392 HydrophobicContact CB-CZ3 4.22Å; I385-W392 WeakPolarHBondContact O-CA 3.47Å; R386-W392 HydrophobicContact CB-CD2 3.98Å; R386-W392 HydrophobicContact CB-CE3 4.01Å; R386-W392 HydrophobicContact CB-CH2 3.71Å; R386-W392 HydrophobicContact CB-CZ2 3.67Å; R386-W392 HydrophobicContact CB-CZ3 3.89Å; R386-W392 HydrophobicContact CG-CD2 4.38Å; R386-W392 HydrophobicContact CG-CH2 4.49Å; R386-W392 HydrophobicContact CG-CZ2 3.95Å; W392-A403 HydrophobicContact CB-CB 4.28Å; W392-A403 PolarHBondContact O-N 3.14Å; W392-V408 HydrophobicContact CB-CG2 4Å; W392-V408 HydrophobicContact CD2-CG1 4.47Å; W392-V408 HydrophobicContact CD2-CG2 3.77Å; W392-V408 HydrophobicContact CE3-CG1 4.08Å; W392-V408 HydrophobicContact CE3-CG2 3.69Å; W392-V408 HydrophobicContact CG-CG2 3.93Å; W392-V408 HydrophobicContact CH2-CG1 4.21Å; W392-V408 HydrophobicContact CZ3-CG1 3.95Å; W392-V408 HydrophobicContact CZ3-CG2 4.39Å
393F96.5Very high94.2Very high22 Ų2246.7 Ų46.710%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-130.7137.7177-66.7-94000109.8L77 F384 I385 H387 Q391 I400 T401 K402L77-F393 HydrophobicContact CD1-CD1 4.13Å; L77-F393 HydrophobicContact CD1-CD2 3.47Å; L77-F393 VanDerWaalsContact CD1-CD2 3.47Å; L77-F393 HydrophobicContact CD1-CE1 4.12Å; L77-F393 HydrophobicContact CD1-CE2 3.47Å; L77-F393 VanDerWaalsContact CD1-CE2 3.47Å; L77-F393 HydrophobicContact CD1-CG 3.81Å; L77-F393 HydrophobicContact CD1-CZ 3.81Å; L77-F393 HydrophobicContact CD2-CB 4.27Å; L77-F393 HydrophobicContact CD2-CD2 4.28Å; L77-F393 HydrophobicContact CD2-CG 4.33Å; F384-F393 CarbonylContact C-O 3.57Å; F384-F393 VanDerWaalsContact CA-O 3.24Å; F384-F393 WeakPolarHBondContact CA-O 3.34Å; I385-F393 PolarHBondContact N-O 2.69Å; I385-F393 PolarHBondContact O-N 3.27Å; H387-F393 HydrophobicContact CB-CD2 3.85Å; H387-F393 HydrophobicContact CB-CE2 3.82Å; Q391-F393 HydrophobicContact CB-CE2 3.75Å; Q391-F393 HydrophobicContact CB-CZ 4.41Å; F393-I400 HydrophobicContact CB-CG2 3.98Å; F393-I400 HydrophobicContact CD1-CG2 3.96Å; F393-I400 HydrophobicContact CG-CG2 4.32Å; F393-T401 CarbonylContact C-O 3.58Å; F393-T401 WeakPolarHBondContact CA-O 3.38Å; F393-K402 HydrophobicContact CD1-CB 4.43Å; F393-K402 HydrophobicContact CE1-CB 4.36Å
394K97.8Very high94.2Very high55 Ų5549.1 Ų49.124%0.23924%0.244CC..EExtended strand (participates in β ladder)trans-89.2119.5167.5-172.1-169.5174-152.20108.4F384 D396 I400 T401 A403F384-K394 HydrophobicContact CD1-CB 3.8Å; F384-K394 HydrophobicContact CD1-CG 4.19Å; F384-K394 HydrophobicContact CE1-CB 3.59Å; F384-K394 HydrophobicContact CE1-CD 4.32Å; F384-K394 HydrophobicContact CE1-CG 3.82Å; F384-K394 HydrophobicContact CZ-CB 4.48Å; F384-K394 HydrophobicContact CZ-CD 4.46Å; F384-K394 HydrophobicContact CZ-CG 4.25Å; K394-D396 IonicContact NZ-OD2 2.77Å; K394-D396 PolarHBondContact NZ-OD2 3.48Å; K394-I400 WeakPolarHBondContact O-CA 3.33Å; K394-T401 PolarHBondContact N-O 3.47Å; K394-T401 PolarHBondContact O-N 3.35Å; K394-A403 HydrophobicContact CB-CB 4.46Å
395C97.2Very high94.1Very high3 Ų352 Ų522%0.0226%0.26CS..EExtended strand (participates in β ladder)trans-98.1115.4170.6-52.50000108.6Q94 S383 I400Q94-C395 HydrophobicContact CG-CB 4.13Å; S383-C395 PolarHBondContact N-O 3.13Å; S383-C395 PolarHBondContact O-N 3.14Å; S383-C395 WeakPolarHBondContact OG-CB 3.39Å; C395-I400 HydrophobicContact CB-CG1 4.46Å
396D97.3Very high94.1Very high46 Ų4658.5 Ų58.525%0.24629%0.288CS..EExtended strand (participates in β ladder)trans-121.582.2177.9-160.2-24.1000106.8H380 T382 K394 A398 V399H380-D396 IonicContact CD2-OD1 3.29Å; H380-D396 IonicContact CE1-OD1 3.99Å; H380-D396 IonicContact NE2-OD1 3.23Å; H380-D396 PolarHBondContact NE2-OD1 2.72Å; T382-D396 HydrophobicContact CG2-CB 4.23Å; K394-D396 IonicContact NZ-OD2 2.77Å; K394-D396 PolarHBondContact NZ-OD2 3.48Å; D396-A398 PolarHBondContact O-N 3.48Å; D396-V399 PolarHBondContact N-O 3.4Å; D396-V399 PolarHBondContact O-N 2.95Å
397D96.2Very high94.2Very high23 Ų2359.9 Ų59.912%0.12330%0.3CS..THydrogen-bonded Turntrans49.2-109.7-168.3-67-41.2000112.2G79 L80 N82 C87 N90 H380 V399G79-D397 CarbonylContact C-O 3.56Å; G79-D397 WeakPolarHBondContact CA-O 3.36Å; L80-D397 PolarHBondContact N-O 3.19Å; L80-D397 CarbonylContact O-C 3.56Å; L80-D397 VanDerWaalsContact O-CA 3.23Å; L80-D397 WeakPolarHBondContact O-CA 3.32Å; L80-D397 WeakPolarHBondContact O-CB 3.42Å; N82-D397 HydrophobicContact CB-CB 4.18Å; N82-D397 WeakPolarHBondContact CB-OD2 3.4Å; N82-D397 PolarHBondContact ND2-OD2 2.69Å; C87-D397 WeakPolarHBondContact CA-OD1 3.42Å; C87-D397 WeakPolarHBondContact CB-OD1 3.12Å; N90-D397 PolarHBondContact ND2-OD1 2.83Å; H380-D397 IonicContact CE1-OD2 3.86Å; H380-D397 PolarHBondContact CE1-OD2 3.29Å; D397-V399 VanDerWaalsContact C-N 3.3Å; D397-V399 PolarHBondContact O-N 3.17Å
398A95.1Very high94.5Very high10 Ų1059.1 Ų59.18%0.08330%0.296CS..THydrogen-bonded Turntrans-77.4-17.6-177.100000113.3A22 Q26 L80 I81 P140 D396A22-A398 HydrophobicContact CB-CB 3.66Å; Q26-A398 PolarHBondContact NE2-O 3.19Å; L80-A398 PolarHBondContact O-N 3.5Å; I81-A398 HydrophobicContact CD1-CB 3.73Å; P140-A398 HydrophobicContact CB-CB 3.98Å; P140-A398 HydrophobicContact CG-CB 3.93Å; D396-A398 PolarHBondContact O-N 3.48Å
399V95.4Very high95.2Very high48 Ų4856.8 Ų56.829%0.29129%0.286SS..EExtended strand (participates in β ladder)trans-99.4117.7-173-177.90000109.2D396 D397 T401D396-V399 PolarHBondContact N-O 3.4Å; D396-V399 PolarHBondContact O-N 2.95Å; D397-V399 VanDerWaalsContact C-N 3.3Å; D397-V399 PolarHBondContact O-N 3.17Å; V399-T401 HydrophobicContact CG1-CG2 4.06Å
400I94.8Very high95.8Very high43 Ų4353.1 Ų53.122%0.22128%0.275CS..EExtended strand (participates in β ladder)trans-111.3125.3174.8-61.8-178.5000108.4L77 R78 F393 K394 C395L77-I400 VanDerWaalsContact C-CD1 3.45Å; L77-I400 HydrophobicContact CB-CD1 4.21Å; R78-I400 VanDerWaalsContact C-CD1 3.42Å; F393-I400 HydrophobicContact CB-CG2 3.98Å; F393-I400 HydrophobicContact CD1-CG2 3.96Å; F393-I400 HydrophobicContact CG-CG2 4.32Å; K394-I400 WeakPolarHBondContact O-CA 3.33Å; C395-I400 HydrophobicContact CB-CG1 4.46Å
401T95.2Very high96.2Very high68 Ų6849.4 Ų49.442%0.41726%0.256SS..EExtended strand (participates in β ladder)trans-127.3151179.252.30000110.2F393 K394 V399F393-T401 CarbonylContact C-O 3.58Å; F393-T401 WeakPolarHBondContact CA-O 3.38Å; K394-T401 PolarHBondContact N-O 3.47Å; K394-T401 PolarHBondContact O-N 3.35Å; V399-T401 HydrophobicContact CG1-CG2 4.06Å
402K95.1Very high96.2Very high150 Ų15048.9 Ų48.965%0.65225%0.253SS*.EExtended strand (participates in β ladder)trans-71139.3175.1-171176.7-179.8-179.60109.8F393F393-K402 HydrophobicContact CD1-CB 4.43Å; F393-K402 HydrophobicContact CE1-CB 4.36Å
403A96.5Very high96.1Very high12 Ų1248.7 Ų48.710%0.09925%0.253CS..EExtended strand (participates in β ladder)trans-121.7150.3177.900000110.9F384 W392 K394F384-A403 HydrophobicContact CD1-CB 3.66Å; F384-A403 HydrophobicContact CE1-CB 3.54Å; W392-A403 HydrophobicContact CB-CB 4.28Å; W392-A403 PolarHBondContact O-N 3.14Å; K394-A403 HydrophobicContact CB-CB 4.46Å
404S97.1Very high96.1Very high51 Ų5147.6 Ų47.636%0.35725%0.248SC..  trans-85.3158.3169750000110.7K406 D407 V408S404-K406 PolarHBondContact O-N 2.93Å; S404-K406 PolarHBondContact OG-N 3.41Å; S404-D407 VanDerWaalsContact CB-OD2 3.31Å; S404-D407 WeakPolarHBondContact CB-OD2 3.48Å; S404-D407 PolarHBondContact N-OD2 3.07Å; S404-D407 PolarHBondContact O-N 3.03Å; S404-D407 VanDerWaalsContact O-N 3.12Å; S404-D407 PolarHBondContact OG-N 3.29Å; S404-D407 VanDerWaalsContact OG-N 3.16Å; S404-D407 PolarHBondContact OG-OD2 3.47Å; S404-V408 WeakPolarHBondContact O-CG2 3.4Å; S404-V408 PolarHBondContact O-N 3.43Å
405I97Very high96.2Very high78 Ų7845.2 Ų45.240%0.424%0.238SC..Hα-helixtrans-55.9-37.1172.3-69.3169.3000110.7L331 D407 V408 L409L331-I405 HydrophobicContact CD1-CD1 4.31Å; L331-I405 HydrophobicContact CD1-CG2 3.77Å; L331-I405 HydrophobicContact CD2-CG2 4.42Å; L331-I405 HydrophobicContact CG-CG2 4.37Å; I405-D407 PolarHBondContact O-N 2.66Å; I405-V408 WeakPolarHBondContact O-CB 3.45Å; I405-V408 PolarHBondContact O-N 3.4Å; I405-L409 HydrophobicContact CG2-CD1 3.69Å; I405-L409 HydrophobicContact CG2-CG 4.08Å; I405-L409 WeakPolarHBondContact O-CG 3.45Å; I405-L409 PolarHBondContact O-N 3.2Å
406K96.8Very high96.2Very high136 Ų13645 Ų4559%0.59124%0.237SC*.Hα-helixtrans-61.3-44.7177.6-175.7-180-179.6-60.10111.5S404 V408 L409 D410S404-K406 PolarHBondContact O-N 2.93Å; S404-K406 PolarHBondContact OG-N 3.41Å; K406-V408 PolarHBondContact O-N 3.27Å; K406-L409 PolarHBondContact O-N 3.2Å; K406-D410 WeakPolarHBondContact CG-OD2 3.43Å; K406-D410 IonicContact NZ-OD2 2.65Å; K406-D410 PolarHBondContact NZ-OD2 3.03Å; K406-D410 VanDerWaalsContact O-CB 3.29Å; K406-D410 WeakPolarHBondContact O-CB 3.34Å; K406-D410 VanDerWaalsContact O-CG 3.29Å; K406-D410 PolarHBondContact O-N 2.81Å
407D97.2Very high96.3Very high81 Ų8142.9 Ų42.943%0.43323%0.225SC..Hα-helixtrans-61.3-35.3177.7-55-45.5000111.8F384 S404 I405 S411F384-D407 HydrophobicContact CE1-CB 4.48Å; F384-D407 HydrophobicContact CZ-CB 4.45Å; S404-D407 VanDerWaalsContact CB-OD2 3.31Å; S404-D407 WeakPolarHBondContact CB-OD2 3.48Å; S404-D407 PolarHBondContact N-OD2 3.07Å; S404-D407 PolarHBondContact O-N 3.03Å; S404-D407 VanDerWaalsContact O-N 3.12Å; S404-D407 PolarHBondContact OG-N 3.29Å; S404-D407 VanDerWaalsContact OG-N 3.16Å; S404-D407 PolarHBondContact OG-OD2 3.47Å; I405-D407 PolarHBondContact O-N 2.66Å; D407-S411 WeakPolarHBondContact O-CB 3.39Å; D407-S411 PolarHBondContact O-N 3.15Å
408V97.8Very high96.4Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-68.6-51.7176.3-178.50000110.5F329 L366 V369 F384 W392 S404 I405 K406 D410 S411F329-V408 HydrophobicContact CE2-CG1 4.49Å; F329-V408 VanDerWaalsContact CZ-O 3.3Å; F329-V408 WeakPolarHBondContact CZ-O 3.41Å; L366-V408 HydrophobicContact CD2-CG1 4.31Å; V369-V408 HydrophobicContact CG2-CG1 3.85Å; F384-V408 HydrophobicContact CB-CG1 4.29Å; F384-V408 HydrophobicContact CB-CG2 3.97Å; F384-V408 HydrophobicContact CD1-CG2 3.81Å; F384-V408 HydrophobicContact CD2-CG2 4.38Å; F384-V408 HydrophobicContact CE1-CG2 4.35Å; F384-V408 HydrophobicContact CG-CB 4.5Å; F384-V408 HydrophobicContact CG-CG1 4.49Å; F384-V408 HydrophobicContact CG-CG2 3.82Å; W392-V408 HydrophobicContact CB-CG2 4Å; W392-V408 HydrophobicContact CD2-CG1 4.47Å; W392-V408 HydrophobicContact CD2-CG2 3.77Å; W392-V408 HydrophobicContact CE3-CG1 4.08Å; W392-V408 HydrophobicContact CE3-CG2 3.69Å; W392-V408 HydrophobicContact CG-CG2 3.93Å; W392-V408 HydrophobicContact CH2-CG1 4.21Å; W392-V408 HydrophobicContact CZ3-CG1 3.95Å; W392-V408 HydrophobicContact CZ3-CG2 4.39Å; S404-V408 WeakPolarHBondContact O-CG2 3.4Å; S404-V408 PolarHBondContact O-N 3.43Å; I405-V408 WeakPolarHBondContact O-CB 3.45Å; I405-V408 PolarHBondContact O-N 3.4Å; K406-V408 PolarHBondContact O-N 3.27Å; V408-D410 VanDerWaalsContact C-N 3.35Å; V408-D410 PolarHBondContact O-N 3Å; V408-S411 WeakPolarHBondContact O-CB 3.49Å; V408-S411 PolarHBondContact O-N 3.36Å; V408-S411 PolarHBondContact O-OG 3.09Å
409L97.4Very high96.4Very high44 Ų4443.9 Ų43.923%0.2323%0.227CC..Hα-helixtrans-71.8-26.4-175.4-62.3179.5000113.6Y326 F329 L331 I405 K406 S411Y326-L409 PolarHBondContact OH-O 2.99Å; F329-L409 HydrophobicContact CD2-CD2 4.19Å; F329-L409 HydrophobicContact CE2-CD2 4.08Å; F329-L409 VanDerWaalsContact O-CD2 3.3Å; F329-L409 WeakPolarHBondContact O-CD2 3.41Å; L331-L409 HydrophobicContact CD2-CD2 4.12Å; L331-L409 HydrophobicContact CG-CD1 4.42Å; L331-L409 HydrophobicContact CG-CD2 4.17Å; I405-L409 HydrophobicContact CG2-CD1 3.69Å; I405-L409 HydrophobicContact CG2-CG 4.08Å; I405-L409 WeakPolarHBondContact O-CG 3.45Å; I405-L409 PolarHBondContact O-N 3.2Å; K406-L409 PolarHBondContact O-N 3.2Å; L409-S411 VanDerWaalsContact C-N 3.3Å
410D95.8Very high96.3Very high85 Ų8542.3 Ų42.346%0.45522%0.216SC..THydrogen-bonded Turntrans-82.5-7.8175.1-69.9-13.1000112.5K406 V408K406-D410 WeakPolarHBondContact CG-OD2 3.43Å; K406-D410 IonicContact NZ-OD2 2.65Å; K406-D410 PolarHBondContact NZ-OD2 3.03Å; K406-D410 VanDerWaalsContact O-CB 3.29Å; K406-D410 WeakPolarHBondContact O-CB 3.34Å; K406-D410 VanDerWaalsContact O-CG 3.29Å; K406-D410 PolarHBondContact O-N 2.81Å; V408-D410 VanDerWaalsContact C-N 3.35Å; V408-D410 PolarHBondContact O-N 3Å
411S95.1Very high96Very high16 Ų1643.6 Ų43.611%0.11222%0.222CC..SBendtrans-73.8153.6-176.571.90000113.7N371 D407 V408 L409 G413N371-S411 PolarHBondContact ND2-OG 3.5Å; N371-S411 PolarHBondContact OD1-OG 3.04Å; D407-S411 WeakPolarHBondContact O-CB 3.39Å; D407-S411 PolarHBondContact O-N 3.15Å; V408-S411 WeakPolarHBondContact O-CB 3.49Å; V408-S411 PolarHBondContact O-N 3.36Å; V408-S411 PolarHBondContact O-OG 3.09Å; L409-S411 VanDerWaalsContact C-N 3.3Å; S411-G413 PolarHBondContact O-N 3.16Å
412E92.5Very high95.4Very high51 Ų5143.5 Ų43.524%0.23822%0.22CC..  trans-7967.1176.1-163.9-164.3159.200110.8R312 K322 T324 N371 Y414R312-E412 IonicContact CZ-OE1 3.66Å; R312-E412 IonicContact NE-OE1 2.81Å; R312-E412 IonicContact NH1-OE1 3.82Å; R312-E412 PolarHBondContact NH1-OE1 3.31Å; K322-E412 WeakPolarHBondContact CE-OE1 3.22Å; K322-E412 VanDerWaalsContact NZ-CD 3.27Å; K322-E412 IonicContact NZ-OE1 3.97Å; K322-E412 PolarHBondContact NZ-OE1 3.27Å; K322-E412 IonicContact NZ-OE2 3.74Å; K322-E412 PolarHBondContact NZ-OE2 3.36Å; T324-E412 WeakPolarHBondContact CA-OE1 3.34Å; N371-E412 PolarHBondContact OD1-O 2.73Å; E412-Y414 PolarHBondContact O-N 2.97Å
413G94.6Very high94.4Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-50.9127.3-177.700000111.9F310 R312 N371 S411F310-G413 VanDerWaalsContact CD2-O 3.23Å; F310-G413 WeakPolarHBondContact CD2-O 3.38Å; R312-G413 VanDerWaalsContact CZ-O 3.24Å; R312-G413 PolarHBondContact NE-O 2.84Å; R312-G413 PolarHBondContact NH2-O 3.21Å; N371-G413 VanDerWaalsContact OD1-CA 3.27Å; N371-G413 WeakPolarHBondContact OD1-CA 3.45Å; N371-G413 PolarHBondContact OD1-N 2.92Å; S411-G413 PolarHBondContact O-N 3.16Å
414Y96.9Very high92.8Very high0 Ų045.6 Ų45.60%023%0.233CC..EExtended strand (participates in β ladder)trans-105.2-49.8177.3174.3-115.3000111.3D164 A165 H166 H309 F310 R312 F313 V370 H372 Y381 E412D164-Y414 WeakPolarHBondContact OD1-CE1 3.39Å; D164-Y414 PolarHBondContact OD1-OH 2.72Å; D164-Y414 PolarHBondContact OD2-OH 2.92Å; A165-Y414 HydrophobicContact CB-CE1 4.34Å; H166-Y414 HydrophobicContact CB-CE1 4.3Å; H166-Y414 VanDerWaalsContact CB-OH 3.3Å; H166-Y414 WeakPolarHBondContact CB-OH 3.06Å; H309-Y414 AromaticContact CD2-CE2 3.55Å; H309-Y414 AromaticContact CD2-CZ 3.59Å; H309-Y414 PolarHBondContact CD2-OH 2.78Å; H309-Y414 AromaticContact NE2-CE2 3.39Å; H309-Y414 WeakPolarHBondContact NE2-CE2 3.36Å; H309-Y414 AromaticContact NE2-CZ 3.44Å; H309-Y414 PolarHBondContact NE2-OH 2.92Å; F310-Y414 PolarHBondContact N-O 3.02Å; F310-Y414 WeakPolarHBondContact O-CE2 3.17Å; R312-Y414 HydrophobicContact CB-CD2 4.19Å; R312-Y414 HydrophobicContact CB-CE2 4.39Å; R312-Y414 HydrophobicContact CG-CD2 4.18Å; F313-Y414 HydrophobicContact CD2-CE2 4.01Å; F313-Y414 HydrophobicContact CE2-CD2 4.46Å; F313-Y414 HydrophobicContact CE2-CE1 4.48Å; F313-Y414 AromaticContact CE2-CE2 3.76Å; F313-Y414 HydrophobicContact CE2-CE2 3.76Å; F313-Y414 AromaticContact CE2-CZ 3.79Å; V370-Y414 WeakPolarHBondContact O-CA 3.24Å; V370-Y414 WeakPolarHBondContact O-CB 3.49Å; V370-Y414 PolarHBondContact O-N 3.03Å; H372-Y414 HydrophobicContact CB-CG 4.38Å; Y381-Y414 HydrophobicContact CD1-CD1 4.45Å; Y381-Y414 AromaticContact CE1-CD1 3.67Å; Y381-Y414 HydrophobicContact CE1-CD1 3.67Å; Y381-Y414 AromaticContact CE1-CE1 3.85Å; Y381-Y414 HydrophobicContact CE1-CE1 3.85Å; E412-Y414 PolarHBondContact O-N 2.97Å
415L98.4Very high90.2Very high4 Ų450.7 Ų50.72%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-119.1137.2167.3-55.4169.2000109.6I92 A165 H166 F308 H309 V369 V370 F417I92-L415 HydrophobicContact CD1-CD1 3.54Å; A165-L415 HydrophobicContact CB-CD1 4.24Å; H166-L415 HydrophobicContact CB-CD2 4.11Å; F308-L415 CarbonylContact O-C 3.51Å; F308-L415 WeakPolarHBondContact O-CA 3.33Å; H309-L415 HydrophobicContact CB-CD2 3.54Å; V369-L415 WeakPolarHBondContact CA-O 3.33Å; V370-L415 HydrophobicContact CB-CB 3.99Å; V370-L415 HydrophobicContact CB-CD1 4.4Å; V370-L415 HydrophobicContact CB-CG 4.45Å; V370-L415 HydrophobicContact CG2-CB 4.31Å; V370-L415 HydrophobicContact CG2-CD1 4.48Å; V370-L415 PolarHBondContact N-O 2.71Å; V370-L415 PolarHBondContact O-N 3.24Å; V370-L415 VanDerWaalsContact O-N 3.09Å; L415-F417 HydrophobicContact CB-CE2 3.85Å; L415-F417 HydrophobicContact CB-CZ 4.46Å; L415-F417 HydrophobicContact CD1-CE2 4.45Å; L415-F417 HydrophobicContact CD1-CZ 4.46Å
416L98.7Very high87.4Confident0 Ų054.5 Ų54.50%027%0.267CS..EExtended strand (participates in β ladder)trans-118.6129.2174.6-50.5178.5000109.5L263 C307 F308 F310 F329 L366 V369 Y418L263-L416 HydrophobicContact CD1-CD1 4.43Å; L263-L416 HydrophobicContact CD2-CD1 3.91Å; C307-L416 WeakPolarHBondContact CA-O 3.4Å; F308-L416 HydrophobicContact CB-CB 4.31Å; F308-L416 PolarHBondContact N-O 3.44Å; F308-L416 PolarHBondContact O-N 2.88Å; F310-L416 HydrophobicContact CE2-CD1 3.57Å; F310-L416 HydrophobicContact CE2-CD2 4.48Å; F310-L416 HydrophobicContact CE2-CG 3.92Å; F310-L416 HydrophobicContact CZ-CD1 3.85Å; F329-L416 HydrophobicContact CB-CD1 3.55Å; F329-L416 HydrophobicContact CD1-CD1 4.05Å; F329-L416 HydrophobicContact CD1-CD2 4Å; F329-L416 HydrophobicContact CD2-CD1 4.25Å; F329-L416 HydrophobicContact CD2-CD2 4.04Å; F329-L416 HydrophobicContact CE1-CD2 4.05Å; F329-L416 HydrophobicContact CE2-CD2 4.09Å; F329-L416 HydrophobicContact CG-CD1 3.69Å; F329-L416 HydrophobicContact CG-CD2 3.99Å; F329-L416 HydrophobicContact CZ-CD2 4.08Å; L366-L416 HydrophobicContact CD1-CB 4.1Å; L366-L416 HydrophobicContact CD1-CD2 4.48Å; V369-L416 HydrophobicContact CB-CD2 4.35Å; V369-L416 HydrophobicContact CG1-CD2 3.86Å; V369-L416 HydrophobicContact CG2-CD2 3.95Å; L416-Y418 HydrophobicContact CB-CD2 4.12Å; L416-Y418 HydrophobicContact CB-CE2 3.71Å; L416-Y418 HydrophobicContact CD1-CE2 4.05Å
417F98.6Very high84.3Confident1 Ų150.8 Ų50.80%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-112.2122.9176-60.7-101.3000109.7I92 A95 L169 V305 C307 F367 A368 V370 L415I92-F417 HydrophobicContact CD1-CZ 4.08Å; A95-F417 HydrophobicContact CB-CD1 4.29Å; A95-F417 HydrophobicContact CB-CD2 3.9Å; A95-F417 HydrophobicContact CB-CE1 4.14Å; A95-F417 HydrophobicContact CB-CE2 3.74Å; A95-F417 HydrophobicContact CB-CG 4.18Å; A95-F417 HydrophobicContact CB-CZ 3.86Å; L169-F417 HydrophobicContact CD1-CE1 4.16Å; L169-F417 HydrophobicContact CD1-CZ 4.33Å; L169-F417 HydrophobicContact CD2-CE1 3.99Å; L169-F417 HydrophobicContact CD2-CZ 3.9Å; V305-F417 HydrophobicContact CG1-CD1 4.49Å; C307-F417 HydrophobicContact CB-CD1 4.45Å; C307-F417 HydrophobicContact CB-CE1 4.41Å; C307-F417 WeakPolarHBondContact SG-CD1 3.38Å; C307-F417 VanDerWaalsContact SG-CE1 3.55Å; F367-F417 HydrophobicContact CD1-CB 4.16Å; F367-F417 WeakPolarHBondContact CD1-O 3.44Å; F367-F417 HydrophobicContact CE1-CB 3.52Å; F367-F417 HydrophobicContact CE2-CB 4.23Å; F367-F417 HydrophobicContact CZ-CB 3.56Å; F367-F417 HydrophobicContact CZ-CG 4.4Å; F367-F417 PolarHBondContact N-O 3.13Å; A368-F417 HydrophobicContact CB-CB 3.98Å; A368-F417 HydrophobicContact CB-CD2 3.97Å; A368-F417 HydrophobicContact CB-CG 4.25Å; A368-F417 PolarHBondContact N-O 3.49Å; A368-F417 PolarHBondContact O-N 2.95Å; V370-F417 HydrophobicContact CG2-CE2 3.88Å; L415-F417 HydrophobicContact CB-CE2 3.85Å; L415-F417 HydrophobicContact CB-CZ 4.46Å; L415-F417 HydrophobicContact CD1-CE2 4.45Å; L415-F417 HydrophobicContact CD1-CZ 4.46Å
418Y98.1Very high81.3Confident0 Ų054.8 Ų54.80%027%0.274CS..EExtended strand (participates in β ladder)trans-121.1139.5179.8-79.4-94.2000109.4L263 V305 A306 F308 P330 L333 S365 L366 L416L263-Y418 HydrophobicContact CD2-CE2 3.9Å; V305-Y418 CarbonylContact C-O 3.51Å; V305-Y418 VanDerWaalsContact CA-O 3.23Å; V305-Y418 WeakPolarHBondContact CA-O 3.26Å; A306-Y418 PolarHBondContact N-O 3.28Å; A306-Y418 PolarHBondContact O-N 2.76Å; F308-Y418 AromaticContact CD2-CD2 3.63Å; F308-Y418 HydrophobicContact CD2-CD2 3.63Å; F308-Y418 AromaticContact CD2-CE2 3.93Å; F308-Y418 HydrophobicContact CD2-CE2 3.93Å; F308-Y418 AromaticContact CE2-CD2 3.67Å; F308-Y418 HydrophobicContact CE2-CD2 3.67Å; F308-Y418 HydrophobicContact CE2-CE2 4.15Å; F308-Y418 HydrophobicContact CE2-CG 4.28Å; P330-Y418 WeakPolarHBondContact O-CE1 3.48Å; P330-Y418 PolarHBondContact O-OH 3.22Å; L333-Y418 HydrophobicContact CB-CD1 4.09Å; L333-Y418 HydrophobicContact CB-CE1 3.81Å; S365-Y418 WeakPolarHBondContact O-CA 3.31Å; L366-Y418 HydrophobicContact CB-CD1 3.95Å; L366-Y418 HydrophobicContact CB-CE1 3.54Å; L366-Y418 HydrophobicContact CD1-CD1 4.36Å; L366-Y418 HydrophobicContact CD1-CD2 3.83Å; L366-Y418 HydrophobicContact CD1-CE1 3.96Å; L366-Y418 HydrophobicContact CD1-CE2 3.41Å; L366-Y418 VanDerWaalsContact CD1-CE2 3.41Å; L366-Y418 HydrophobicContact CD1-CG 4.29Å; L366-Y418 VanDerWaalsContact CD1-CZ 3.46Å; L366-Y418 HydrophobicContact CG-CE1 4.31Å; L366-Y418 VanDerWaalsContact N-CD1 3.26Å; L416-Y418 HydrophobicContact CB-CD2 4.12Å; L416-Y418 HydrophobicContact CB-CE2 3.71Å; L416-Y418 HydrophobicContact CD1-CE2 4.05Å
419H95Very high78.2Confident53 Ų5362.4 Ų62.425%0.24531%0.307CS..EExtended strand (participates in β ladder)trans-109.9146.3170.56985.1000110.4V304 V305 Y364 S365 F367 Q421V304-H419 CarbonylContact O-C 3.54Å; V304-H419 WeakPolarHBondContact O-CA 3.49Å; V305-H419 HydrophobicContact CG2-CB 4.37Å; Y364-H419 CarbonylContact C-O 3.39Å; Y364-H419 VanDerWaalsContact CA-O 3.24Å; Y364-H419 WeakPolarHBondContact CA-O 3.48Å; Y364-H419 WeakPolarHBondContact CD1-O 3.38Å; S365-H419 PolarHBondContact N-O 2.74Å; S365-H419 PolarHBondContact O-CD2 2.8Å; S365-H419 PolarHBondContact O-N 3.48Å; F367-H419 HydrophobicContact CD1-CB 4.13Å; F367-H419 AromaticContact CD1-CD2 3.66Å; F367-H419 HydrophobicContact CE1-CB 4.22Å; F367-H419 AromaticContact CG-CD2 4Å; H419-Q421 PolarHBondContact O-N 2.85Å
420K93.8Very high75.2Confident16 Ų1665.3 Ų65.37%0.0733%0.327CS..EExtended strand (participates in β ladder)trans-56.3138.7171.2-78.4-170.9171.3-173.70110P303 V304 K363 Y364 L423 E424P303-K420 WeakPolarHBondContact O-CE 3.5Å; V304-K420 PolarHBondContact O-N 2.94Å; K363-K420 WeakPolarHBondContact O-CA 3.19Å; Y364-K420 HydrophobicContact CD1-CG 4.25Å; Y364-K420 HydrophobicContact CE1-CB 4.37Å; Y364-K420 HydrophobicContact CE1-CG 3.59Å; Y364-K420 HydrophobicContact CE2-CG 3.97Å; Y364-K420 VanDerWaalsContact CZ-CG 3.44Å; K420-L423 HydrophobicContact CB-CD2 4.31Å; K420-E424 IonicContact NZ-OE1 3.85Å; K420-E424 PolarHBondContact NZ-OE1 3.38Å
421Q89.5Confident72.1Confident70 Ų7069.2 Ų69.233%0.32734%0.34SS..SBendtrans-73.4-38.6175.8-70.4-174.78.300111.5K363 Y364 S365 H419K363-Q421 HydrophobicContact CB-CB 4.41Å; K363-Q421 HydrophobicContact CB-CG 4.19Å; K363-Q421 PolarHBondContact O-N 3.19Å; Y364-Q421 PolarHBondContact O-NE2 3.11Å; S365-Q421 WeakPolarHBondContact OG-CG 3.43Å; S365-Q421 PolarHBondContact OG-NE2 3.03Å; H419-Q421 PolarHBondContact O-N 2.85Å
422V82.7Confident69Low65 Ų6576 Ų7639%0.39437%0.369SS..SBendtrans-115.2121.1175.5-177.80000107.8N360N360-V422 HydrophobicContact CB-CG2 3.8Å
423L73.5Confident66.3Low87 Ų8781 Ų8146%0.45539%0.394SS..  trans-83.3126.9168.5-58.8177.4000107.5I101 V304 K420 H425I101-L423 HydrophobicContact CD1-CD1 3.59Å; I101-L423 HydrophobicContact CD1-CD2 3.92Å; I101-L423 HydrophobicContact CD1-CG 4.43Å; I101-L423 HydrophobicContact CG1-CD1 4.19Å; V304-L423 HydrophobicContact CB-CD2 4.42Å; V304-L423 HydrophobicContact CG1-CD2 3.3Å; V304-L423 HydrophobicContact CG2-CD2 4.36Å; K420-L423 HydrophobicContact CB-CD2 4.31Å; L423-H425 PolarHBondContact O-N 3.37Å
424E62.8Low63.4Low119 Ų11987.2 Ų87.256%0.55643%0.428SS*.  trans-58.6105.2165.2-71.9157.9-129.900107.1K420 E426K420-E424 IonicContact NZ-OE1 3.85Å; K420-E424 PolarHBondContact NZ-OE1 3.38Å; E424-E426 PolarHBondContact O-N 3.04Å
425H43.1Very low60.6Low159 Ų15992.6 Ų92.674%0.73646%0.461SS*.  trans-69.1113.3163.8-168.6-86.7000104.7L423 S427L423-H425 PolarHBondContact O-N 3.37Å; H425-S427 PolarHBondContact ND1-OG 3.2Å; H425-S427 PolarHBondContact O-N 3.32Å; H425-S427 PolarHBondContact O-OG 2.82Å
426E36.8Very low57.6Low158 Ų158101 Ų10174%0.73850%0.5SS*.  trans-58.575.4169.3-77.4-168.9161.900108.9E424 E428E424-E426 PolarHBondContact O-N 3.04Å; E426-E428 VanDerWaalsContact C-N 3.35Å
427S33.2Very low54.4Low58 Ų58104.2 Ų104.241%0.40653%0.527SS..  trans-94-5176.9-39.20000110.3H425H425-S427 PolarHBondContact ND1-OG 3.2Å; H425-S427 PolarHBondContact O-N 3.32Å; H425-S427 PolarHBondContact O-OG 2.82Å
428E34.3Very low51.6Low164 Ų164118.5 Ų118.577%0.76658%0.583SS**Hα-helixtrans-85.4-14.9-175.5-67.5-165151.200113.6E426E426-E428 VanDerWaalsContact C-N 3.35Å
429K32Very low49.3Very low161 Ų161124.5 Ų124.570%0.761%0.612SS**Hα-helixtrans-82.1-7.6169.9-77.2-176.8179.5167.10115.2
430V34.1Very low46.9Very low105 Ų105128.2 Ų128.264%0.63663%0.631SS**Hα-helixtrans-98.1-16.1173.8-174.30000112.3
431K29.6Very low44.3Very low167 Ų167134.4 Ų134.473%0.72666%0.663SS**Hα-helixtrans-80.4-28176-78.2-173177.2177.50114T435K431-T435 PolarHBondContact O-OG1 2.96Å
432E31.1Very low41.7Very low158 Ų158138.2 Ų138.274%0.73868%0.682SS**THydrogen-bonded Turntrans-79-20.2176.5-73.3-171.4155.900114
433M35Very low39.1Very low155 Ų155142.8 Ų142.876%0.76470%0.7SS**THydrogen-bonded Turntrans-79.8-17.6174.3-86.9-176.46600114.3
434N34.7Very low36.8Very low131 Ų131146.5 Ų146.570%0.70172%0.717SS**THydrogen-bonded Turntrans-102.310-179.5-82-7000114.6
435T37.1Very low35Very low113 Ų113148.5 Ų148.569%0.69373%0.728SS**SBendtrans-111.47.6169.521.80000114.6K431K431-T435 PolarHBondContact O-OG1 2.96Å
436Q35.3Very low34.3Very low181 Ų181147.7 Ų147.785%0.84673%0.727SS**SBendtrans-111.221168.8-73.2-170.8-9.800113.9
437A33.1Very low34.1Very low68 Ų68146.8 Ų146.856%0.56273%0.727SS**  trans-126.151.8175.300000112.2
438Y40Very low34.2Very low301 Ų301154.9 Ų154.9100%1.1876%0.756SS**  trans-161.90147.6-82.9-69.9000107.3

Retrieved 438 of 438 residues in 84.6 ms (Link to these results)

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