A0A087XA91_POEFO Loading...

Ankyrin repeat and SOCS box containing 3

AlphaFold DB , UniProt , Accession A0A087XA91, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 561 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.1Very low50Low213 Ų213135.7 Ų135.7100%1.04968%0.682SS**  0118.70-75.1-178.3-176.400105.9F3M1-F3 HydrophobicContact CB-CE2 4.48Å; M1-F3 VanDerWaalsContact O-CD2 3.3Å; M1-F3 WeakPolarHBondContact O-CD2 3.34Å; M1-F3 PolarHBondContact O-N 3.24Å
2D29.7Very low53.1Low131 Ų131126.7 Ų126.770%0.70164%0.641SS**  trans-75.5108.1179.3-152.5-24000107.1T4D2-T4 VanDerWaalsContact CG-OG1 3.3Å; D2-T4 PolarHBondContact O-N 3.14Å; D2-T4 VanDerWaalsContact O-N 3.17Å; D2-T4 WeakPolarHBondContact OD1-CG2 3.28Å; D2-T4 PolarHBondContact OD1-OG1 2.83Å
3F36.3Very low55.9Low177 Ų177121.2 Ų121.278%0.77662%0.622SS**G310 helixtrans-78.713.6-175.7-73.8-82.6000112.7M1M1-F3 HydrophobicContact CB-CE2 4.48Å; M1-F3 VanDerWaalsContact O-CD2 3.3Å; M1-F3 WeakPolarHBondContact O-CD2 3.34Å; M1-F3 PolarHBondContact O-N 3.24Å
4T40Very low58.3Low117 Ų117112.7 Ų112.772%0.71858%0.578SS**G310 helixtrans-86.9-6.5-174.7520000114.1D2D2-T4 VanDerWaalsContact CG-OG1 3.3Å; D2-T4 PolarHBondContact O-N 3.14Å; D2-T4 VanDerWaalsContact O-N 3.17Å; D2-T4 WeakPolarHBondContact OD1-CG2 3.28Å; D2-T4 PolarHBondContact OD1-OG1 2.83Å
5E46.2Very low60.4Low186 Ų186105.3 Ų105.387%0.86954%0.541SS*.G310 helixtrans-98.74.4178-80.1-169.7160.500115.1
6C43.9Very low62.3Low93 Ų93100.9 Ų100.963%0.62853%0.525SS*.SBendtrans-118.6132.9-178.6-73.60000111.5
7Y46.7Very low64.1Low197 Ų19795 Ų9577%0.77349%0.494SS*.  trans93.660.7-178.1-51.1-70.8000115.6D9 N41Y7-D9 PolarHBondContact O-N 3.44Å; Y7-N41 HydrophobicContact CD1-CB 4.35Å; Y7-N41 VanDerWaalsContact CD1-ND2 3.31Å; Y7-N41 WeakPolarHBondContact CD1-ND2 3.3Å
8E55.9Low65.7Low177 Ų17789.7 Ų89.783%0.82747%0.467SS*.  trans-55.3133148.2-73.5-172.2164.200108.6T10E8-T10 WeakPolarHBondContact O-CG2 3.45Å; E8-T10 PolarHBondContact O-N 3.27Å
9D59.9Low67.1Low92 Ų9289.6 Ų89.649%0.49246%0.46SS..  trans-63.595.7-177.7-160.422.3000109Y7 V11 R19Y7-D9 PolarHBondContact O-N 3.44Å; D9-V11 HydrophobicContact CB-CG2 4.37Å; D9-V11 PolarHBondContact O-N 3.45Å; D9-V11 WeakPolarHBondContact OD1-CG2 3.23Å; D9-R19 IonicContact OD1-NH1 2.8Å; D9-R19 IonicContact OD1-NH2 3.52Å; D9-R19 IonicContact OD2-CZ 2.94Å; D9-R19 IonicContact OD2-NH1 3.39Å; D9-R19 PolarHBondContact OD2-NH1 3.36Å; D9-R19 IonicContact OD2-NH2 2.86Å
10T72.6Confident68.3Low86 Ų8689 Ų8953%0.52846%0.464SS..  trans-7428.3-174.955.90000113.5E8 S12 N41E8-T10 WeakPolarHBondContact O-CG2 3.45Å; E8-T10 PolarHBondContact O-N 3.27Å; T10-S12 PolarHBondContact O-N 3.08Å; T10-N41 PolarHBondContact OG1-N 3.03Å; T10-N41 VanDerWaalsContact OG1-N 3.11Å
11V81.7Confident69.4Low24 Ų2486.1 Ų86.115%0.14546%0.456CS..  trans-72.9123.9-171.1177.30000109.5D9 A15 A16 D40D9-V11 HydrophobicContact CB-CG2 4.37Å; D9-V11 PolarHBondContact O-N 3.45Å; D9-V11 WeakPolarHBondContact OD1-CG2 3.23Å; V11-A15 HydrophobicContact CG1-CB 3.49Å; V11-A15 VanDerWaalsContact CG1-CB 3.49Å; V11-A16 HydrophobicContact CG1-CB 3.98Å; V11-D40 HydrophobicContact CG2-CB 4.41Å
12S87.3Confident72Confident27 Ų2778.6 Ų78.619%0.18942%0.424CS..  trans-58.2151.5175.272.10000111.2T10 V14 A15 A16T10-S12 PolarHBondContact O-N 3.08Å; S12-V14 PolarHBondContact O-N 3.14Å; S12-V14 VanDerWaalsContact O-N 3.08Å; S12-A15 WeakPolarHBondContact O-CA 3.46Å; S12-A15 PolarHBondContact O-N 3.3Å; S12-A15 VanDerWaalsContact OG-CB 3.27Å; S12-A15 WeakPolarHBondContact OG-CB 3.38Å; S12-A15 PolarHBondContact OG-N 2.83Å; S12-A15 VanDerWaalsContact OG-N 3.08Å; S12-A16 PolarHBondContact O-N 2.66Å
13S89.2Confident75.1Confident56 Ų5676.5 Ų76.539%0.39241%0.406SS..Hα-helixtrans-57.2-28.7177.663.20000113.2A17 L29S13-A17 WeakPolarHBondContact O-CB 3.35Å; S13-A17 PolarHBondContact O-N 2.97Å; S13-A17 VanDerWaalsContact O-N 3.09Å; S13-L29 VanDerWaalsContact O-CD1 3.27Å; S13-L29 WeakPolarHBondContact O-CD1 3.49Å
14V89.9Confident77.8Confident2 Ų278.1 Ų78.11%0.01241%0.407CS..Hα-helixtrans-69.4-48.6173.6-178.50000110.2S12 A16 A17 A18 L26 L29 C34 V36 P46S12-V14 PolarHBondContact O-N 3.14Å; S12-V14 VanDerWaalsContact O-N 3.08Å; V14-A16 PolarHBondContact O-N 3.19Å; V14-A17 PolarHBondContact O-N 3.37Å; V14-A18 WeakPolarHBondContact O-CB 3.29Å; V14-A18 PolarHBondContact O-N 2.74Å; V14-L26 HydrophobicContact CB-CD1 4.48Å; V14-L26 HydrophobicContact CG1-CD1 3.52Å; V14-L26 WeakPolarHBondContact O-CD1 3.47Å; V14-L29 HydrophobicContact CG2-CB 4.07Å; V14-C34 HydrophobicContact CG2-CB 3.44Å; V14-C34 VanDerWaalsContact CG2-CB 3.44Å; V14-V36 HydrophobicContact CG1-CG1 4.25Å; V14-P46 HydrophobicContact CB-CG 4.14Å; V14-P46 HydrophobicContact CG1-CB 3.9Å; V14-P46 HydrophobicContact CG1-CG 3.75Å
15A89.5Confident80.2Confident2 Ų278.4 Ų78.42%0.01740%0.395CS..Hα-helixtrans-63.2-39.2176.700000112.3V11 S12 A17 A18 R19 P46 E49V11-A15 HydrophobicContact CG1-CB 3.49Å; V11-A15 VanDerWaalsContact CG1-CB 3.49Å; S12-A15 WeakPolarHBondContact O-CA 3.46Å; S12-A15 PolarHBondContact O-N 3.3Å; S12-A15 VanDerWaalsContact OG-CB 3.27Å; S12-A15 WeakPolarHBondContact OG-CB 3.38Å; S12-A15 PolarHBondContact OG-N 2.83Å; S12-A15 VanDerWaalsContact OG-N 3.08Å; A15-A17 PolarHBondContact O-N 3.22Å; A15-A18 WeakPolarHBondContact O-CB 3.47Å; A15-A18 PolarHBondContact O-N 2.88Å; A15-R19 WeakPolarHBondContact O-CB 3.39Å; A15-R19 PolarHBondContact O-N 2.98Å; A15-P46 HydrophobicContact CB-CB 4.29Å; A15-P46 HydrophobicContact CB-CG 3.94Å; A15-E49 HydrophobicContact CB-CG 4.19Å
16A90.9Very high82.5Confident35 Ų3569.5 Ų69.529%0.28935%0.353SS..Hα-helixtrans-66-36.6174.500000112.4V11 S12 V14 S20V11-A16 HydrophobicContact CG1-CB 3.98Å; S12-A16 PolarHBondContact O-N 2.66Å; V14-A16 PolarHBondContact O-N 3.19Å; A16-S20 WeakPolarHBondContact O-CB 3.09Å; A16-S20 PolarHBondContact O-N 3.12Å; A16-S20 VanDerWaalsContact O-N 3.08Å; A16-S20 PolarHBondContact O-OG 3.38Å
17A92.8Very high84.8Confident0 Ų070.1 Ų70.10%034%0.342CS..Hα-helixtrans-68.3-36.3173.300000112.2S13 V14 A15 S20 G21 C22 R25 L26 L29S13-A17 WeakPolarHBondContact O-CB 3.35Å; S13-A17 PolarHBondContact O-N 2.97Å; S13-A17 VanDerWaalsContact O-N 3.09Å; V14-A17 PolarHBondContact O-N 3.37Å; A15-A17 PolarHBondContact O-N 3.22Å; A17-S20 WeakPolarHBondContact CA-OG 3.47Å; A17-S20 PolarHBondContact O-OG 2.77Å; A17-G21 PolarHBondContact O-N 2.88Å; A17-C22 PolarHBondContact O-N 2.75Å; A17-R25 HydrophobicContact CB-CB 4.3Å; A17-R25 HydrophobicContact CB-CG 4.05Å; A17-L26 HydrophobicContact CB-CB 4.08Å; A17-L26 HydrophobicContact CB-CD1 4.22Å; A17-L29 HydrophobicContact CB-CD1 4.05Å
18A92.9Very high87Confident0 Ų068.5 Ų68.50%034%0.335CS..Hα-helixtrans-65.4-47.8173.200000112.2V14 A15 S20 G21 L26 P46 E49 A50 I62V14-A18 WeakPolarHBondContact O-CB 3.29Å; V14-A18 PolarHBondContact O-N 2.74Å; A15-A18 WeakPolarHBondContact O-CB 3.47Å; A15-A18 PolarHBondContact O-N 2.88Å; A18-S20 VanDerWaalsContact C-N 3.33Å; A18-S20 PolarHBondContact O-N 2.95Å; A18-G21 PolarHBondContact O-N 3.36Å; A18-L26 HydrophobicContact CB-CD1 4.37Å; A18-P46 HydrophobicContact CB-CB 4.38Å; A18-P46 WeakPolarHBondContact CB-O 3.37Å; A18-E49 HydrophobicContact CB-CB 4.23Å; A18-A50 HydrophobicContact CB-CB 3.94Å; A18-I62 HydrophobicContact CB-CD1 4.12Å
19R92.1Very high88.7Confident88 Ų8861.2 Ų61.233%0.33230%0.302SS..Hα-helixtrans-57.5-43176.3-174.8-172.7-67.5170.8-4112.5D9 A15 G21 E49 A53D9-R19 IonicContact OD1-NH1 2.8Å; D9-R19 IonicContact OD1-NH2 3.52Å; D9-R19 IonicContact OD2-CZ 2.94Å; D9-R19 IonicContact OD2-NH1 3.39Å; D9-R19 PolarHBondContact OD2-NH1 3.36Å; D9-R19 IonicContact OD2-NH2 2.86Å; A15-R19 WeakPolarHBondContact O-CB 3.39Å; A15-R19 PolarHBondContact O-N 2.98Å; R19-G21 PolarHBondContact O-N 2.89Å; R19-E49 HydrophobicContact CB-CB 4.23Å; R19-E49 WeakPolarHBondContact CB-OE2 3.29Å; R19-E49 VanDerWaalsContact CG-OE2 3.32Å; R19-E49 WeakPolarHBondContact CG-OE2 3.47Å; R19-E49 IonicContact CZ-OE1 3.53Å; R19-E49 IonicContact CZ-OE2 3.36Å; R19-E49 VanDerWaalsContact NE-CD 3.32Å; R19-E49 IonicContact NE-OE1 2.68Å; R19-E49 PolarHBondContact NE-OE1 3.3Å; R19-E49 IonicContact NE-OE2 3.24Å; R19-E49 PolarHBondContact NE-OE2 3.12Å; R19-E49 IonicContact NH2-OE1 3.53Å; R19-E49 PolarHBondContact NH2-OE1 2.67Å; R19-E49 IonicContact NH2-OE2 3.91Å; R19-A53 WeakPolarHBondContact O-CB 3.48Å
20S92.4Very high90.1Very high77 Ų7758.4 Ų58.454%0.53829%0.286SS..THydrogen-bonded Turntrans-78-3178.256.10000114.1A16 A17 A18 C22A16-S20 WeakPolarHBondContact O-CB 3.09Å; A16-S20 PolarHBondContact O-N 3.12Å; A16-S20 VanDerWaalsContact O-N 3.08Å; A16-S20 PolarHBondContact O-OG 3.38Å; A17-S20 WeakPolarHBondContact CA-OG 3.47Å; A17-S20 PolarHBondContact O-OG 2.77Å; A18-S20 VanDerWaalsContact C-N 3.33Å; A18-S20 PolarHBondContact O-N 2.95Å; S20-C22 PolarHBondContact O-N 3.24Å
21G90.3Very high90.8Very high29 Ų2961.5 Ų61.530%0.29929%0.294SS..THydrogen-bonded Turntrans66.814.5-178.300000114.9A17 A18 R19 R23 S55 C58A17-G21 PolarHBondContact O-N 2.88Å; A18-G21 PolarHBondContact O-N 3.36Å; R19-G21 PolarHBondContact O-N 2.89Å; G21-R23 PolarHBondContact O-N 3Å; G21-S55 WeakPolarHBondContact CA-OG 3.23Å; G21-C58 VanDerWaalsContact C-SG 3.53Å
22C92.8Very high91.2Very high55 Ų5570.2 Ų70.237%0.37232%0.324SS..  trans-84.379.1-174.2-167.40000112A17 S20 R24 R25 L26A17-C22 PolarHBondContact O-N 2.75Å; S20-C22 PolarHBondContact O-N 3.24Å; C22-R24 VanDerWaalsContact C-N 3.27Å; C22-R24 PolarHBondContact O-N 2.98Å; C22-R24 VanDerWaalsContact O-N 3.14Å; C22-R25 HydrophobicContact CB-CB 4Å; C22-R25 PolarHBondContact O-N 3.43Å; C22-R25 VanDerWaalsContact SG-CB 3.55Å; C22-L26 PolarHBondContact O-N 2.99Å
23R93.1Very high91.1Very high86 Ų8672.1 Ų72.133%0.32535%0.348SS..Hα-helixtrans-46.9-44.8179.3-171.4-162.4-176157.9-2.7113.8G21 R25 L26 R27 D57 E61G21-R23 PolarHBondContact O-N 3Å; R23-R25 PolarHBondContact O-N 3.46Å; R23-L26 PolarHBondContact O-N 3.27Å; R23-R27 VanDerWaalsContact NH2-NH2 3.14Å; R23-R27 WeakPolarHBondContact O-CB 3.47Å; R23-R27 PolarHBondContact O-N 3.48Å; R23-D57 HydrophobicContact CB-CB 4.31Å; R23-D57 HydrophobicContact CG-CB 4.16Å; R23-D57 IonicContact CZ-OD2 3.45Å; R23-D57 IonicContact NH1-OD2 3.57Å; R23-D57 PolarHBondContact NH1-OD2 3.11Å; R23-E61 HydrophobicContact CG-CG 3.73Å; R23-E61 IonicContact CZ-OE1 3.93Å; R23-E61 IonicContact NE-OE1 3.85Å; R23-E61 PolarHBondContact NE-OE1 3.25Å; R23-E61 IonicContact NH2-OE1 2.73Å; R23-E61 PolarHBondContact NH2-OE1 3.21Å
24R92.9Very high90.9Very high211 Ų21171.5 Ų71.580%0.79634%0.344SS*.Hα-helixtrans-64.1-38-179.5-68.9-177179.2173.90.2112.7C22 R28C22-R24 VanDerWaalsContact C-N 3.27Å; C22-R24 PolarHBondContact O-N 2.98Å; C22-R24 VanDerWaalsContact O-N 3.14Å; R24-R28 WeakPolarHBondContact O-CG 3.49Å; R24-R28 PolarHBondContact O-N 3.12Å; R24-R28 PolarHBondContact O-NE 3.49Å
25R92.1Very high90.8Very high123 Ų12374.4 Ų74.446%0.46436%0.364SS..Hα-helixtrans-72.1-46176.6-176.3178.1178.3173.3-1.1109.9A17 C22 R23 R28 L29A17-R25 HydrophobicContact CB-CB 4.3Å; A17-R25 HydrophobicContact CB-CG 4.05Å; C22-R25 HydrophobicContact CB-CB 4Å; C22-R25 PolarHBondContact O-N 3.43Å; C22-R25 VanDerWaalsContact SG-CB 3.55Å; R23-R25 PolarHBondContact O-N 3.46Å; R25-R28 PolarHBondContact O-N 3.5Å; R25-L29 HydrophobicContact CG-CD1 4.12Å; R25-L29 WeakPolarHBondContact O-CG 3.24Å; R25-L29 PolarHBondContact O-N 3.08Å
26L93Very high90.6Very high0 Ų075.4 Ų75.40%037%0.37CS..Hα-helixtrans-55.6-53177.1-176.367.9000111.8V14 A17 A18 C22 R23 R28 L29 I30 C58 E61 I62V14-L26 HydrophobicContact CB-CD1 4.48Å; V14-L26 HydrophobicContact CG1-CD1 3.52Å; V14-L26 WeakPolarHBondContact O-CD1 3.47Å; A17-L26 HydrophobicContact CB-CB 4.08Å; A17-L26 HydrophobicContact CB-CD1 4.22Å; A18-L26 HydrophobicContact CB-CD1 4.37Å; C22-L26 PolarHBondContact O-N 2.99Å; R23-L26 PolarHBondContact O-N 3.27Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 2.98Å; L26-L29 PolarHBondContact O-N 3.13Å; L26-L29 VanDerWaalsContact O-N 3.09Å; L26-I30 HydrophobicContact CD1-CD1 4.37Å; L26-I30 HydrophobicContact CG-CD1 4.07Å; L26-I30 WeakPolarHBondContact O-CG1 3.34Å; L26-I30 PolarHBondContact O-N 3Å; L26-C58 HydrophobicContact CD2-CB 3.51Å; L26-E61 HydrophobicContact CD2-CB 4.35Å; L26-I62 HydrophobicContact CD1-CD1 4.49Å; L26-I62 HydrophobicContact CD1-CG1 4.42Å; L26-I62 HydrophobicContact CD2-CD1 4.08Å; L26-I62 HydrophobicContact CD2-CG1 3.98Å
27R92.6Very high90.3Very high105 Ų10577.5 Ų77.540%0.39638%0.376SS..Hα-helixtrans-56.3-45.7177.9-174.8-175.7-72179.9-4.5112.1R23 L29 I30 H31 E61R23-R27 VanDerWaalsContact NH2-NH2 3.14Å; R23-R27 WeakPolarHBondContact O-CB 3.47Å; R23-R27 PolarHBondContact O-N 3.48Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.87Å; R27-I30 PolarHBondContact O-N 3.41Å; R27-H31 WeakPolarHBondContact CG-CE1 3.18Å; R27-H31 PolarHBondContact O-N 3.3Å; R27-H31 PolarHBondContact O-ND1 3.45Å; R27-E61 IonicContact CZ-OE1 3.32Å; R27-E61 IonicContact CZ-OE2 2.7Å; R27-E61 IonicContact NE-OE1 2.65Å; R27-E61 IonicContact NE-OE2 2.72Å; R27-E61 PolarHBondContact NE-OE2 3Å; R27-E61 IonicContact NH2-OE1 3.75Å; R27-E61 PolarHBondContact NH2-OE1 3.31Å; R27-E61 IonicContact NH2-OE2 3.43Å; R27-E61 PolarHBondContact NH2-OE2 3.36Å
28R93.3Very high90Very high163 Ų16379.9 Ų79.962%0.61539%0.393SS*.Hα-helixtrans-61.9-37.3177.8-78.3-173-65.5-178.92.4112.7R24 R25 L26 R32R24-R28 WeakPolarHBondContact O-CG 3.49Å; R24-R28 PolarHBondContact O-N 3.12Å; R24-R28 PolarHBondContact O-NE 3.49Å; R25-R28 PolarHBondContact O-N 3.5Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 2.98Å; R28-R32 WeakPolarHBondContact O-CG 3.34Å; R28-R32 PolarHBondContact O-N 3.11Å
29L91Very high89.8Confident25 Ų2586 Ų8613%0.13142%0.416CS..Hα-helixtrans-69.8-42.1177.8-68.2169.7000111.3S13 V14 A17 R25 L26 R27 H31 R32 C34S13-L29 VanDerWaalsContact O-CD1 3.27Å; S13-L29 WeakPolarHBondContact O-CD1 3.49Å; V14-L29 HydrophobicContact CG2-CB 4.07Å; A17-L29 HydrophobicContact CB-CD1 4.05Å; R25-L29 HydrophobicContact CG-CD1 4.12Å; R25-L29 WeakPolarHBondContact O-CG 3.24Å; R25-L29 PolarHBondContact O-N 3.08Å; L26-L29 PolarHBondContact O-N 3.13Å; L26-L29 VanDerWaalsContact O-N 3.09Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.87Å; L29-H31 PolarHBondContact O-N 3.27Å; L29-R32 PolarHBondContact O-N 3.42Å; L29-R32 VanDerWaalsContact O-N 3.15Å; L29-C34 HydrophobicContact CB-CB 4.32Å; L29-C34 VanDerWaalsContact O-CB 3.3Å; L29-C34 WeakPolarHBondContact O-CB 3.47Å; L29-C34 PolarHBondContact O-N 3.23Å; L29-C34 VanDerWaalsContact O-N 3.16Å; L29-C34 PolarHBondContact O-SG 3.24Å; L29-C34 VanDerWaalsContact O-SG 3.42Å
30I89.1Confident89.7Confident32 Ų3282.4 Ų82.416%0.16440%0.403CS..Hα-helixtrans-60.8-45.9175.4-65.2171000110.8L26 R27 R32 G33 V36 A65L26-I30 HydrophobicContact CD1-CD1 4.37Å; L26-I30 HydrophobicContact CG-CD1 4.07Å; L26-I30 WeakPolarHBondContact O-CG1 3.34Å; L26-I30 PolarHBondContact O-N 3Å; R27-I30 PolarHBondContact O-N 3.41Å; I30-R32 PolarHBondContact O-N 3.27Å; I30-G33 PolarHBondContact O-N 3.2Å; I30-V36 HydrophobicContact CD1-CG1 3.95Å; I30-V36 HydrophobicContact CG1-CG1 3.81Å; I30-A65 HydrophobicContact CD1-CB 4.27Å; I30-A65 HydrophobicContact CG2-CB 3.75Å
31H88.4Confident89.6Confident152 Ų15281.1 Ų81.170%0.70439%0.39SS*.Hα-helixtrans-64.4-22.5177.7-7566000113.6R27 L29 G33R27-H31 WeakPolarHBondContact CG-CE1 3.18Å; R27-H31 PolarHBondContact O-N 3.3Å; R27-H31 PolarHBondContact O-ND1 3.45Å; L29-H31 PolarHBondContact O-N 3.27Å; H31-G33 PolarHBondContact O-N 2.88Å
32R90.8Very high89.5Confident206 Ų20684 Ų8478%0.77739%0.392SS*.THydrogen-bonded Turntrans-82.73.6173.7-74.8177.5175.4-162.9-2.7113R28 L29 I30R28-R32 WeakPolarHBondContact O-CG 3.34Å; R28-R32 PolarHBondContact O-N 3.11Å; L29-R32 PolarHBondContact O-N 3.42Å; L29-R32 VanDerWaalsContact O-N 3.15Å; I30-R32 PolarHBondContact O-N 3.27Å
33G83.6Confident89.4Confident67 Ų6781.4 Ų81.469%0.69138%0.375SS*.THydrogen-bonded Turntrans81.916.2179.800000114.3I30 H31 S35I30-G33 PolarHBondContact O-N 3.2Å; H31-G33 PolarHBondContact O-N 2.88Å; G33-S35 PolarHBondContact O-N 3.36Å
34C86.3Confident89.5Confident44 Ų4478.5 Ų78.530%0.29736%0.364SS..  trans-68.3132.9173.4-61.50000110.4V14 L29V14-C34 HydrophobicContact CG2-CB 3.44Å; V14-C34 VanDerWaalsContact CG2-CB 3.44Å; L29-C34 HydrophobicContact CB-CB 4.32Å; L29-C34 VanDerWaalsContact O-CB 3.3Å; L29-C34 WeakPolarHBondContact O-CB 3.47Å; L29-C34 PolarHBondContact O-N 3.23Å; L29-C34 VanDerWaalsContact O-N 3.16Å; L29-C34 PolarHBondContact O-SG 3.24Å; L29-C34 VanDerWaalsContact O-SG 3.42Å
35S86.3Confident89.5Confident63 Ų6368.4 Ų68.444%0.44133%0.326SS..  trans-64137.5-179.5-1790000112.1G33 D37G33-S35 PolarHBondContact O-N 3.36Å; S35-D37 PolarHBondContact OG-N 3.27Å; S35-D37 VanDerWaalsContact OG-N 3.09Å
36V86.3Confident89.6Confident23 Ų2362.6 Ų62.614%0.13930%0.304CS..SBendtrans-89.7-1.3171.2-65.80000112.5V14 I30 P46 V66 Y77V14-V36 HydrophobicContact CG1-CG1 4.25Å; I30-V36 HydrophobicContact CD1-CG1 3.95Å; I30-V36 HydrophobicContact CG1-CG1 3.81Å; V36-P46 VanDerWaalsContact O-CD 3.25Å; V36-P46 WeakPolarHBondContact O-CD 3.44Å; V36-P46 WeakPolarHBondContact O-CG 2.96Å; V36-V66 HydrophobicContact CG2-CG2 3.6Å; V36-Y77 VanDerWaalsContact O-CE2 3.3Å; V36-Y77 WeakPolarHBondContact O-CE2 3.31Å; V36-Y77 VanDerWaalsContact O-CZ 3.3Å; V36-Y77 PolarHBondContact O-OH 3.32Å
37D85.3Confident89.7Confident79 Ų7962.6 Ų62.642%0.42230%0.304SS..  trans-113.713.5-179.2-162.930.9000113.6S35 R39 Y77S35-D37 PolarHBondContact OG-N 3.27Å; S35-D37 VanDerWaalsContact OG-N 3.09Å; D37-R39 PolarHBondContact O-N 3.43Å; D37-R39 VanDerWaalsContact O-N 3.15Å; D37-Y77 HydrophobicContact CB-CD2 4.25Å; D37-Y77 HydrophobicContact CB-CE2 3.93Å; D37-Y77 WeakPolarHBondContact OD1-CE2 3.44Å
38S86.1Confident89.9Confident49 Ų4957.7 Ų57.734%0.34329%0.285SS..  trans-68113173.1-63.40000110.6
39R88.9Confident90Very high128 Ų12850.3 Ų50.348%0.48326%0.258SS..  trans-87.7143.6176.4-59.6-172.1-178.9-157.30.2111.7D37 W44 N45 L81D37-R39 PolarHBondContact O-N 3.43Å; D37-R39 VanDerWaalsContact O-N 3.15Å; R39-W44 CarbonylContact C-O 3.25Å; R39-W44 VanDerWaalsContact CA-O 3.26Å; R39-W44 WeakPolarHBondContact CA-O 3.32Å; R39-N45 HydrophobicContact CG-CB 4.35Å; R39-L81 PolarHBondContact NH1-O 3Å
40D89.8Confident90.2Very high13 Ų1349.1 Ų49.17%0.0725%0.252CS..  trans-89.3-173.7171.170.113.7000112.5V11 R42 G43 W44V11-D40 HydrophobicContact CG2-CB 4.41Å; D40-R42 PolarHBondContact O-N 3.11Å; D40-R42 WeakPolarHBondContact OD1-CA 3.49Å; D40-R42 WeakPolarHBondContact OD1-CB 3.47Å; D40-R42 PolarHBondContact OD1-N 2.65Å; D40-R42 IonicContact OD1-NE 3.83Å; D40-R42 IonicContact OD2-CZ 3.21Å; D40-R42 IonicContact OD2-NE 2.72Å; D40-R42 PolarHBondContact OD2-NE 3.38Å; D40-R42 IonicContact OD2-NH2 2.65Å; D40-R42 PolarHBondContact OD2-NH2 2.99Å; D40-G43 PolarHBondContact O-N 3.23Å; D40-G43 PolarHBondContact OD1-N 3.19Å; D40-W44 PolarHBondContact N-O 3.36Å; D40-W44 WeakPolarHBondContact OD1-CB 3.31Å; D40-W44 PolarHBondContact OD1-N 2.86Å
41N89.3Confident90.6Very high50 Ų5047.6 Ų47.627%0.26724%0.244SC..THydrogen-bonded Turntrans-64.1-13179.160.21.4000115.2Y7 T10 H83Y7-N41 HydrophobicContact CD1-CB 4.35Å; Y7-N41 VanDerWaalsContact CD1-ND2 3.31Å; Y7-N41 WeakPolarHBondContact CD1-ND2 3.3Å; T10-N41 PolarHBondContact OG1-N 3.03Å; T10-N41 VanDerWaalsContact OG1-N 3.11Å; N41-H83 PolarHBondContact O-CD2 3.5Å
42R89.7Confident91Very high89 Ų8940.5 Ų40.534%0.33621%0.212SC..THydrogen-bonded Turntrans-97.2-0.8174.1-61.1164.8-64.5166.28.8111.4D40 W44 E49 H83D40-R42 PolarHBondContact O-N 3.11Å; D40-R42 WeakPolarHBondContact OD1-CA 3.49Å; D40-R42 WeakPolarHBondContact OD1-CB 3.47Å; D40-R42 PolarHBondContact OD1-N 2.65Å; D40-R42 IonicContact OD1-NE 3.83Å; D40-R42 IonicContact OD2-CZ 3.21Å; D40-R42 IonicContact OD2-NE 2.72Å; D40-R42 PolarHBondContact OD2-NE 3.38Å; D40-R42 IonicContact OD2-NH2 2.65Å; D40-R42 PolarHBondContact OD2-NH2 2.99Å; R42-W44 HydrophobicContact CB-CG 4.16Å; R42-W44 PolarHBondContact O-N 3.19Å; R42-E49 IonicContact CZ-OE1 3.99Å; R42-E49 IonicContact NH2-OE1 3.56Å; R42-E49 PolarHBondContact NH2-OE1 2.96Å; R42-H83 PolarHBondContact O-CD2 2.71Å; R42-H83 PolarHBondContact O-N 3.23Å
43G90.7Very high91.3Very high1 Ų132.5 Ų32.51%0.0119%0.19CC..SBendtrans75.910.1-170.800000113.1D40 H83D40-G43 PolarHBondContact O-N 3.23Å; D40-G43 PolarHBondContact OD1-N 3.19Å; G43-H83 PolarHBondContact N-CD2 2.6Å; G43-H83 VanDerWaalsContact N-CD2 3.3Å; G43-H83 PolarHBondContact N-NE2 3.36Å
44W94.1Very high91.9Very high25 Ų2530.4 Ų30.410%0.09517%0.168CC..  trans-77.3134.5179.6-72.241.9000110.1R39 D40 R42 H48 E49 A52 T82 L91R39-W44 CarbonylContact C-O 3.25Å; R39-W44 VanDerWaalsContact CA-O 3.26Å; R39-W44 WeakPolarHBondContact CA-O 3.32Å; D40-W44 PolarHBondContact N-O 3.36Å; D40-W44 WeakPolarHBondContact OD1-CB 3.31Å; D40-W44 PolarHBondContact OD1-N 2.86Å; R42-W44 HydrophobicContact CB-CG 4.16Å; R42-W44 PolarHBondContact O-N 3.19Å; W44-H48 HydrophobicContact CB-CB 4.14Å; W44-H48 HydrophobicContact CD2-CB 3.99Å; W44-H48 HydrophobicContact CE3-CB 3.78Å; W44-H48 HydrophobicContact CG-CB 4.18Å; W44-H48 HydrophobicContact CZ3-CB 4.46Å; W44-E49 HydrophobicContact CE3-CG 4.04Å; W44-A52 HydrophobicContact CH2-CB 3.83Å; W44-A52 HydrophobicContact CZ3-CB 3.62Å; W44-T82 HydrophobicContact CD2-CG2 4.33Å; W44-T82 HydrophobicContact CG-CG2 3.93Å; W44-L91 HydrophobicContact CD2-CD1 4.47Å; W44-L91 HydrophobicContact CE3-CD1 4.33Å; W44-L91 HydrophobicContact CH2-CD1 3.65Å; W44-L91 HydrophobicContact CH2-CD2 3.89Å; W44-L91 HydrophobicContact CH2-CG 4.39Å; W44-L91 HydrophobicContact CZ2-CD1 3.8Å; W44-L91 HydrophobicContact CZ2-CD2 3.81Å; W44-L91 HydrophobicContact CZ2-CG 4.48Å; W44-L91 HydrophobicContact CZ3-CD1 3.94Å
45N93Very high92.4Very high0 Ų029.5 Ų29.50%016%0.163CC..  trans-102.2170.7169.873.712.6000110.1R39 L47 H48 E49 Y77R39-N45 HydrophobicContact CG-CB 4.35Å; N45-L47 PolarHBondContact O-N 3.09Å; N45-L47 VanDerWaalsContact O-N 3.1Å; N45-L47 WeakPolarHBondContact OD1-CA 3.22Å; N45-L47 VanDerWaalsContact OD1-CB 3.29Å; N45-L47 WeakPolarHBondContact OD1-CB 3.44Å; N45-L47 PolarHBondContact OD1-N 3.16Å; N45-H48 PolarHBondContact N-ND1 3.13Å; N45-H48 WeakPolarHBondContact O-CB 3.38Å; N45-H48 PolarHBondContact O-N 3.32Å; N45-H48 PolarHBondContact OD1-N 3.26Å; N45-H48 PolarHBondContact OD1-ND1 3.43Å; N45-E49 PolarHBondContact O-N 3.18Å; N45-Y77 WeakPolarHBondContact ND2-CE2 3.33Å
46P93.9Very high92.8Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-52.7-29.5176.3-28.232.8000115.4V14 A15 A18 V36 A50 I62V14-P46 HydrophobicContact CB-CG 4.14Å; V14-P46 HydrophobicContact CG1-CB 3.9Å; V14-P46 HydrophobicContact CG1-CG 3.75Å; A15-P46 HydrophobicContact CB-CB 4.29Å; A15-P46 HydrophobicContact CB-CG 3.94Å; A18-P46 HydrophobicContact CB-CB 4.38Å; A18-P46 WeakPolarHBondContact CB-O 3.37Å; V36-P46 VanDerWaalsContact O-CD 3.25Å; V36-P46 WeakPolarHBondContact O-CD 3.44Å; V36-P46 WeakPolarHBondContact O-CG 2.96Å; P46-A50 WeakPolarHBondContact O-CB 3.49Å; P46-A50 PolarHBondContact O-N 2.63Å; P46-I62 HydrophobicContact CB-CD1 3.99Å
47L95.8Very high93.3Very high1 Ų132.5 Ų32.51%0.00517%0.169CC..Hα-helixtrans-69.3-42.1176.6-174.265.8000111.7N45 E49 A50 A51 V59 I62 L63 Y77 A88 L104N45-L47 PolarHBondContact O-N 3.09Å; N45-L47 VanDerWaalsContact O-N 3.1Å; N45-L47 WeakPolarHBondContact OD1-CA 3.22Å; N45-L47 VanDerWaalsContact OD1-CB 3.29Å; N45-L47 WeakPolarHBondContact OD1-CB 3.44Å; N45-L47 PolarHBondContact OD1-N 3.16Å; L47-E49 VanDerWaalsContact C-N 3.35Å; L47-E49 PolarHBondContact O-N 3.08Å; L47-A50 PolarHBondContact O-N 3.44Å; L47-A51 WeakPolarHBondContact O-CB 3.32Å; L47-A51 PolarHBondContact O-N 2.91Å; L47-V59 HydrophobicContact CD1-CG1 4Å; L47-V59 HydrophobicContact CD1-CG2 4.42Å; L47-I62 HydrophobicContact CB-CG2 4.29Å; L47-I62 HydrophobicContact CD1-CG2 4.23Å; L47-L63 HydrophobicContact CD1-CD2 4.2Å; L47-L63 HydrophobicContact CD1-CG 4.37Å; L47-L63 HydrophobicContact CD2-CD2 4.32Å; L47-Y77 HydrophobicContact CB-CE1 3.78Å; L47-Y77 HydrophobicContact CD2-CD1 4.09Å; L47-Y77 HydrophobicContact CD2-CE1 3.77Å; L47-Y77 HydrophobicContact CG-CE1 4.3Å; L47-A88 HydrophobicContact CD2-CB 4.02Å; L47-A88 HydrophobicContact CG-CB 3.82Å; L47-L104 HydrophobicContact CD1-CD2 4.04Å; L47-L104 HydrophobicContact CD2-CD2 4.24Å; L47-L104 HydrophobicContact CG-CD2 4.37Å
48H96.1Very high93.8Very high1 Ų128.8 Ų28.81%0.00515%0.149CC..Hα-helixtrans-59-46.2173.9-65.797.9000111.2W44 N45 A51 A52 A80 E86 A88 L91W44-H48 HydrophobicContact CB-CB 4.14Å; W44-H48 HydrophobicContact CD2-CB 3.99Å; W44-H48 HydrophobicContact CE3-CB 3.78Å; W44-H48 HydrophobicContact CG-CB 4.18Å; W44-H48 HydrophobicContact CZ3-CB 4.46Å; N45-H48 PolarHBondContact N-ND1 3.13Å; N45-H48 WeakPolarHBondContact O-CB 3.38Å; N45-H48 PolarHBondContact O-N 3.32Å; N45-H48 PolarHBondContact OD1-N 3.26Å; N45-H48 PolarHBondContact OD1-ND1 3.43Å; H48-A51 PolarHBondContact O-N 3.31Å; H48-A52 VanDerWaalsContact O-CB 3.31Å; H48-A52 WeakPolarHBondContact O-CB 3.27Å; H48-A52 PolarHBondContact O-N 2.61Å; H48-A80 PolarHBondContact CE1-O 2.86Å; H48-A80 VanDerWaalsContact CE1-O 3.32Å; H48-A80 PolarHBondContact NE2-O 3.32Å; H48-E86 PolarHBondContact NE2-O 3.17Å; H48-A88 PolarHBondContact CD2-N 2.88Å; H48-L91 HydrophobicContact CB-CD1 3.76Å
49E95.3Very high94.3Very high8 Ų826.4 Ų26.44%0.03713%0.133CC..Hα-helixtrans-61.7-48.2176.7-72.7-68.6175.700112.4A15 A18 R19 R42 W44 N45 L47 A51 A52 A53A15-E49 HydrophobicContact CB-CG 4.19Å; A18-E49 HydrophobicContact CB-CB 4.23Å; R19-E49 HydrophobicContact CB-CB 4.23Å; R19-E49 WeakPolarHBondContact CB-OE2 3.29Å; R19-E49 VanDerWaalsContact CG-OE2 3.32Å; R19-E49 WeakPolarHBondContact CG-OE2 3.47Å; R19-E49 IonicContact CZ-OE1 3.53Å; R19-E49 IonicContact CZ-OE2 3.36Å; R19-E49 VanDerWaalsContact NE-CD 3.32Å; R19-E49 IonicContact NE-OE1 2.68Å; R19-E49 PolarHBondContact NE-OE1 3.3Å; R19-E49 IonicContact NE-OE2 3.24Å; R19-E49 PolarHBondContact NE-OE2 3.12Å; R19-E49 IonicContact NH2-OE1 3.53Å; R19-E49 PolarHBondContact NH2-OE1 2.67Å; R19-E49 IonicContact NH2-OE2 3.91Å; R42-E49 IonicContact CZ-OE1 3.99Å; R42-E49 IonicContact NH2-OE1 3.56Å; R42-E49 PolarHBondContact NH2-OE1 2.96Å; W44-E49 HydrophobicContact CE3-CG 4.04Å; N45-E49 PolarHBondContact O-N 3.18Å; L47-E49 VanDerWaalsContact C-N 3.35Å; L47-E49 PolarHBondContact O-N 3.08Å; E49-A51 VanDerWaalsContact C-N 3.26Å; E49-A51 PolarHBondContact O-N 3.15Å; E49-A52 PolarHBondContact O-N 3.14Å; E49-A53 WeakPolarHBondContact O-CB 3.26Å; E49-A53 PolarHBondContact O-N 3.44Å
50A96.4Very high94.6Very high0 Ų023.4 Ų23.40%012%0.124CC..Hα-helixtrans-60.8-39.3177.300000111.6A18 P46 L47 G54 S55 C58 V59 I62A18-A50 HydrophobicContact CB-CB 3.94Å; P46-A50 WeakPolarHBondContact O-CB 3.49Å; P46-A50 PolarHBondContact O-N 2.63Å; L47-A50 PolarHBondContact O-N 3.44Å; A50-G54 PolarHBondContact O-N 2.73Å; A50-G54 VanDerWaalsContact O-N 3.15Å; A50-S55 PolarHBondContact O-N 3.17Å; A50-C58 HydrophobicContact CB-CB 4.01Å; A50-V59 HydrophobicContact CB-CG2 3.6Å; A50-I62 HydrophobicContact CB-CD1 3.92Å
51A97.5Very high94.8Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-70.4-46.2-178.900000112.1L47 H48 E49 A53 G54 A88 A92 H97 V100 L104L47-A51 WeakPolarHBondContact O-CB 3.32Å; L47-A51 PolarHBondContact O-N 2.91Å; H48-A51 PolarHBondContact O-N 3.31Å; E49-A51 VanDerWaalsContact C-N 3.26Å; E49-A51 PolarHBondContact O-N 3.15Å; A51-A53 VanDerWaalsContact C-N 3.29Å; A51-A53 PolarHBondContact O-N 3.01Å; A51-G54 PolarHBondContact O-N 2.92Å; A51-G54 VanDerWaalsContact O-N 3.11Å; A51-A88 HydrophobicContact CB-CB 3.9Å; A51-A88 WeakPolarHBondContact CB-O 3.32Å; A51-A92 HydrophobicContact CB-CB 4.23Å; A51-H97 PolarHBondContact O-CD2 3.13Å; A51-H97 VanDerWaalsContact O-CD2 3.22Å; A51-V100 HydrophobicContact CB-CG1 4.03Å; A51-L104 HydrophobicContact CB-CD1 4.26Å
52A96.8Very high94.9Very high3 Ų321.4 Ų21.43%0.02511%0.113CC..Hα-helixtrans-64.7-33175.400000112.7W44 H48 E49 G54 L91 R95 H97W44-A52 HydrophobicContact CH2-CB 3.83Å; W44-A52 HydrophobicContact CZ3-CB 3.62Å; H48-A52 VanDerWaalsContact O-CB 3.31Å; H48-A52 WeakPolarHBondContact O-CB 3.27Å; H48-A52 PolarHBondContact O-N 2.61Å; E49-A52 PolarHBondContact O-N 3.14Å; A52-G54 VanDerWaalsContact C-N 3.29Å; A52-L91 HydrophobicContact CB-CB 4.25Å; A52-L91 HydrophobicContact CB-CD1 4.45Å; A52-R95 WeakPolarHBondContact O-CD 3.32Å; A52-R95 PolarHBondContact O-NH1 3.44Å; A52-H97 PolarHBondContact O-NE2 2.83Å; A52-H97 VanDerWaalsContact O-NE2 3.12Å
53A96.3Very high95Very high38 Ų3817.9 Ų17.931%0.31410%0.101SC..THydrogen-bonded Turntrans-78-9.1174.700000113.7R19 E49 A51 S55R19-A53 WeakPolarHBondContact O-CB 3.48Å; E49-A53 WeakPolarHBondContact O-CB 3.26Å; E49-A53 PolarHBondContact O-N 3.44Å; A51-A53 VanDerWaalsContact C-N 3.29Å; A51-A53 PolarHBondContact O-N 3.01Å; A53-S55 PolarHBondContact O-N 2.69Å
54G96.4Very high95Very high24 Ų2420.7 Ų20.725%0.24712%0.12CC..THydrogen-bonded Turntrans70.715.9-178.100000114.4A50 A51 A52 K56 H97A50-G54 PolarHBondContact O-N 2.73Å; A50-G54 VanDerWaalsContact O-N 3.15Å; A51-G54 PolarHBondContact O-N 2.92Å; A51-G54 VanDerWaalsContact O-N 3.11Å; A52-G54 VanDerWaalsContact C-N 3.29Å; G54-K56 PolarHBondContact O-N 3.07Å; G54-H97 WeakPolarHBondContact CA-CD2 3.42Å; G54-H97 WeakPolarHBondContact CA-ND1 3.17Å; G54-H97 WeakPolarHBondContact CA-NE2 3.36Å; G54-H97 PolarHBondContact N-CD2 2.85Å; G54-H97 PolarHBondContact N-NE2 3.44Å
55S96Very high94.7Very high25 Ų2520.4 Ų20.418%0.17512%0.123CC..  trans-82.180.5-173.1-69.80000111.4G21 A50 A53 D57 C58 V59G21-S55 WeakPolarHBondContact CA-OG 3.23Å; A50-S55 PolarHBondContact O-N 3.17Å; A53-S55 PolarHBondContact O-N 2.69Å; S55-D57 VanDerWaalsContact C-N 3.28Å; S55-D57 PolarHBondContact O-N 3.42Å; S55-C58 WeakPolarHBondContact O-CB 3.3Å; S55-C58 PolarHBondContact O-N 3.11Å; S55-V59 WeakPolarHBondContact O-CG2 3.18Å; S55-V59 PolarHBondContact O-N 3.11Å
56K96.3Very high94.3Very high82 Ų8221 Ų2136%0.35713%0.126SC..Hα-helixtrans-45.2-50.6179.4-172.8-162178.1-112.90112.8G54 C58 V59 E60 A99 V100 L103G54-K56 PolarHBondContact O-N 3.07Å; K56-C58 PolarHBondContact O-N 3.19Å; K56-V59 WeakPolarHBondContact O-CB 3.48Å; K56-V59 PolarHBondContact O-N 2.99Å; K56-E60 VanDerWaalsContact CE-OE1 3.23Å; K56-E60 WeakPolarHBondContact CE-OE1 3.12Å; K56-E60 IonicContact NZ-OE1 2.84Å; K56-E60 PolarHBondContact NZ-OE1 3.1Å; K56-E60 IonicContact NZ-OE2 3.84Å; K56-E60 PolarHBondContact O-N 3.26Å; K56-A99 HydrophobicContact CB-CB 4.43Å; K56-A99 HydrophobicContact CD-CB 4Å; K56-A99 HydrophobicContact CG-CB 4.17Å; K56-V100 HydrophobicContact CB-CG2 4.46Å; K56-L103 HydrophobicContact CB-CD1 4.44Å; K56-L103 HydrophobicContact CD-CD1 4.3Å; K56-L103 HydrophobicContact CG-CD1 3.34Å; K56-L103 HydrophobicContact CG-CG 4.38Å
57D95.9Very high93.4Very high66 Ų6624.3 Ų24.335%0.35315%0.15SC..Hα-helixtrans-62.3-40.6-179.2-82.524.4000112.5R23 S55 V59 E60 E61R23-D57 HydrophobicContact CB-CB 4.31Å; R23-D57 HydrophobicContact CG-CB 4.16Å; R23-D57 IonicContact CZ-OD2 3.45Å; R23-D57 IonicContact NH1-OD2 3.57Å; R23-D57 PolarHBondContact NH1-OD2 3.11Å; S55-D57 VanDerWaalsContact C-N 3.28Å; S55-D57 PolarHBondContact O-N 3.42Å; D57-V59 VanDerWaalsContact C-N 3.35Å; D57-E60 PolarHBondContact O-N 3.49Å; D57-E61 VanDerWaalsContact O-CG 3.3Å; D57-E61 WeakPolarHBondContact O-CG 3.17Å; D57-E61 PolarHBondContact O-N 2.9Å
58C95.7Very high92Very high1 Ų132.7 Ų32.71%0.00719%0.189CC..Hα-helixtrans-66.5-39.3176.7-69.10000111.3G21 L26 A50 S55 K56 E61 I62G21-C58 VanDerWaalsContact C-SG 3.53Å; L26-C58 HydrophobicContact CD2-CB 3.51Å; A50-C58 HydrophobicContact CB-CB 4.01Å; S55-C58 WeakPolarHBondContact O-CB 3.3Å; S55-C58 PolarHBondContact O-N 3.11Å; K56-C58 PolarHBondContact O-N 3.19Å; C58-E61 PolarHBondContact O-N 3.32Å; C58-I62 WeakPolarHBondContact O-CB 3.41Å; C58-I62 WeakPolarHBondContact O-CD1 3.11Å; C58-I62 VanDerWaalsContact O-CG1 3.24Å; C58-I62 WeakPolarHBondContact O-CG1 3.42Å; C58-I62 PolarHBondContact O-N 3.15Å
59V96.1Very high90.2Very high0 Ų036.1 Ų36.10%021%0.213CC..Hα-helixtrans-61.5-46.3174.2173.80000110.5L47 A50 S55 K56 D57 E61 I62 L63 V100 L103 L104L47-V59 HydrophobicContact CD1-CG1 4Å; L47-V59 HydrophobicContact CD1-CG2 4.42Å; A50-V59 HydrophobicContact CB-CG2 3.6Å; S55-V59 WeakPolarHBondContact O-CG2 3.18Å; S55-V59 PolarHBondContact O-N 3.11Å; K56-V59 WeakPolarHBondContact O-CB 3.48Å; K56-V59 PolarHBondContact O-N 2.99Å; D57-V59 VanDerWaalsContact C-N 3.35Å; V59-E61 PolarHBondContact O-N 3.32Å; V59-I62 PolarHBondContact O-N 3.36Å; V59-L63 HydrophobicContact CG1-CD1 3.69Å; V59-L63 HydrophobicContact CG1-CG 4.2Å; V59-L63 WeakPolarHBondContact O-CB 3.33Å; V59-L63 WeakPolarHBondContact O-CG 3.43Å; V59-L63 PolarHBondContact O-N 3.28Å; V59-V100 HydrophobicContact CG2-CG1 4.04Å; V59-V100 HydrophobicContact CG2-CG2 4.29Å; V59-L103 HydrophobicContact CG1-CB 4.45Å; V59-L103 HydrophobicContact CG1-CD1 4.43Å; V59-L104 HydrophobicContact CG1-CD2 4.04Å; V59-L104 HydrophobicContact CG1-CG 4.45Å
60E94.9Very high88.6Confident64 Ų6439.7 Ų39.730%0.29924%0.239SC..Hα-helixtrans-59.6-45.2176.6-70.4-179.9172.500112.2K56 D57 L63 S64 L103K56-E60 VanDerWaalsContact CE-OE1 3.23Å; K56-E60 WeakPolarHBondContact CE-OE1 3.12Å; K56-E60 IonicContact NZ-OE1 2.84Å; K56-E60 PolarHBondContact NZ-OE1 3.1Å; K56-E60 IonicContact NZ-OE2 3.84Å; K56-E60 PolarHBondContact O-N 3.26Å; D57-E60 PolarHBondContact O-N 3.49Å; E60-L63 PolarHBondContact O-N 2.79Å; E60-S64 WeakPolarHBondContact O-CB 3.26Å; E60-S64 PolarHBondContact O-N 3.15Å; E60-S64 PolarHBondContact O-OG 2.95Å; E60-L103 HydrophobicContact CG-CD1 3.42Å; E60-L103 VanDerWaalsContact CG-CD1 3.42Å; E60-L103 HydrophobicContact CG-CD2 4.05Å; E60-L103 HydrophobicContact CG-CG 4.38Å
61E93.9Very high86.9Confident21 Ų2144.5 Ų44.510%0.09827%0.272CS..Hα-helixtrans-63.2-46177.4-65.1-68.9143.700111.9R23 L26 R27 D57 C58 V59 S64 A65R23-E61 HydrophobicContact CG-CG 3.73Å; R23-E61 IonicContact CZ-OE1 3.93Å; R23-E61 IonicContact NE-OE1 3.85Å; R23-E61 PolarHBondContact NE-OE1 3.25Å; R23-E61 IonicContact NH2-OE1 2.73Å; R23-E61 PolarHBondContact NH2-OE1 3.21Å; L26-E61 HydrophobicContact CD2-CB 4.35Å; R27-E61 IonicContact CZ-OE1 3.32Å; R27-E61 IonicContact CZ-OE2 2.7Å; R27-E61 IonicContact NE-OE1 2.65Å; R27-E61 IonicContact NE-OE2 2.72Å; R27-E61 PolarHBondContact NE-OE2 3Å; R27-E61 IonicContact NH2-OE1 3.75Å; R27-E61 PolarHBondContact NH2-OE1 3.31Å; R27-E61 IonicContact NH2-OE2 3.43Å; R27-E61 PolarHBondContact NH2-OE2 3.36Å; D57-E61 VanDerWaalsContact O-CG 3.3Å; D57-E61 WeakPolarHBondContact O-CG 3.17Å; D57-E61 PolarHBondContact O-N 2.9Å; C58-E61 PolarHBondContact O-N 3.32Å; V59-E61 PolarHBondContact O-N 3.32Å; E61-S64 WeakPolarHBondContact CA-OG 3.34Å; E61-S64 PolarHBondContact O-N 3.07Å; E61-S64 PolarHBondContact O-OG 2.9Å; E61-A65 PolarHBondContact O-N 3.44Å
62I92.8Very high85.1Confident0 Ų054.1 Ų54.10%031%0.309CS..Hα-helixtrans-61.9-46.7178.9-69.4161.8000110.5A18 L26 P46 L47 A50 C58 V59 S64 A65 V66 Y77A18-I62 HydrophobicContact CB-CD1 4.12Å; L26-I62 HydrophobicContact CD1-CD1 4.49Å; L26-I62 HydrophobicContact CD1-CG1 4.42Å; L26-I62 HydrophobicContact CD2-CD1 4.08Å; L26-I62 HydrophobicContact CD2-CG1 3.98Å; P46-I62 HydrophobicContact CB-CD1 3.99Å; L47-I62 HydrophobicContact CB-CG2 4.29Å; L47-I62 HydrophobicContact CD1-CG2 4.23Å; A50-I62 HydrophobicContact CB-CD1 3.92Å; C58-I62 WeakPolarHBondContact O-CB 3.41Å; C58-I62 WeakPolarHBondContact O-CD1 3.11Å; C58-I62 VanDerWaalsContact O-CG1 3.24Å; C58-I62 WeakPolarHBondContact O-CG1 3.42Å; C58-I62 PolarHBondContact O-N 3.15Å; V59-I62 PolarHBondContact O-N 3.36Å; I62-S64 VanDerWaalsContact C-N 3.33Å; I62-S64 PolarHBondContact O-N 2.83Å; I62-A65 PolarHBondContact O-N 2.98Å; I62-V66 WeakPolarHBondContact O-CG2 3.49Å; I62-V66 PolarHBondContact O-N 3.04Å; I62-V66 VanDerWaalsContact O-N 3.12Å; I62-Y77 HydrophobicContact CG2-CE1 3.81Å; I62-Y77 WeakPolarHBondContact CG2-OH 3.49Å
63L91.9Very high84Confident16 Ų1657.2 Ų57.28%0.08433%0.329CS..Hα-helixtrans-62.8-40.1179.3-67.7175.4000111.8L47 V59 E60 V66 S67 V78 A107L47-L63 HydrophobicContact CD1-CD2 4.2Å; L47-L63 HydrophobicContact CD1-CG 4.37Å; L47-L63 HydrophobicContact CD2-CD2 4.32Å; V59-L63 HydrophobicContact CG1-CD1 3.69Å; V59-L63 HydrophobicContact CG1-CG 4.2Å; V59-L63 WeakPolarHBondContact O-CB 3.33Å; V59-L63 WeakPolarHBondContact O-CG 3.43Å; V59-L63 PolarHBondContact O-N 3.28Å; E60-L63 PolarHBondContact O-N 2.79Å; L63-V66 PolarHBondContact O-N 3.47Å; L63-S67 PolarHBondContact O-N 2.92Å; L63-S67 PolarHBondContact O-OG 2.75Å; L63-S67 VanDerWaalsContact O-OG 3.06Å; L63-V78 HydrophobicContact CD2-CG2 3.56Å; L63-A107 HydrophobicContact CD1-CB 3.89Å; L63-A107 HydrophobicContact CD2-CB 4.22Å
64S89.7Confident83.4Confident60 Ų6056.7 Ų56.742%0.4232%0.32SS..Hα-helixtrans-62.1-42.8176.370.30000112.6E60 E61 I62 V66 S67E60-S64 WeakPolarHBondContact O-CB 3.26Å; E60-S64 PolarHBondContact O-N 3.15Å; E60-S64 PolarHBondContact O-OG 2.95Å; E61-S64 WeakPolarHBondContact CA-OG 3.34Å; E61-S64 PolarHBondContact O-N 3.07Å; E61-S64 PolarHBondContact O-OG 2.9Å; I62-S64 VanDerWaalsContact C-N 3.33Å; I62-S64 PolarHBondContact O-N 2.83Å; S64-V66 VanDerWaalsContact C-N 3.3Å; S64-V66 PolarHBondContact O-N 3.21Å; S64-S67 PolarHBondContact O-N 2.73Å
65A87.4Confident82.9Confident19 Ų1962.3 Ų62.316%0.15733%0.334CS..Hα-helixtrans-65-33.4177.800000112.6I30 E61 I62I30-A65 HydrophobicContact CD1-CB 4.27Å; I30-A65 HydrophobicContact CG2-CB 3.75Å; E61-A65 PolarHBondContact O-N 3.44Å; I62-A65 PolarHBondContact O-N 2.98Å
66V84.4Confident82.6Confident11 Ų1166.4 Ų66.47%0.06735%0.354CS..Hα-helixtrans-77.7-32177.5178.10000111.7V36 I62 L63 S64 E68 S69 H74 Y77V36-V66 HydrophobicContact CG2-CG2 3.6Å; I62-V66 WeakPolarHBondContact O-CG2 3.49Å; I62-V66 PolarHBondContact O-N 3.04Å; I62-V66 VanDerWaalsContact O-N 3.12Å; L63-V66 PolarHBondContact O-N 3.47Å; S64-V66 VanDerWaalsContact C-N 3.3Å; S64-V66 PolarHBondContact O-N 3.21Å; V66-E68 PolarHBondContact O-N 3.32Å; V66-S69 WeakPolarHBondContact O-CB 3.47Å; V66-S69 PolarHBondContact O-N 3.07Å; V66-H74 HydrophobicContact CG1-CB 4.32Å; V66-Y77 HydrophobicContact CB-CD1 4.42Å; V66-Y77 HydrophobicContact CG1-CD1 4.11Å; V66-Y77 HydrophobicContact CG1-CG 4.13Å; V66-Y77 HydrophobicContact CG2-CD1 3.79Å; V66-Y77 HydrophobicContact CG2-CE1 3.82Å; V66-Y77 HydrophobicContact CG2-CG 4.2Å
67S75.8Confident82.3Confident71 Ų7163.2 Ų63.250%0.49734%0.34SS..Hα-helixtrans-67-20178.5-66.50000114.5L63 S64 S69 H74L63-S67 PolarHBondContact O-N 2.92Å; L63-S67 PolarHBondContact O-OG 2.75Å; L63-S67 VanDerWaalsContact O-OG 3.06Å; S64-S67 PolarHBondContact O-N 2.73Å; S67-S69 PolarHBondContact O-N 3.26Å; S67-H74 PolarHBondContact OG-CE1 3.25Å; S67-H74 PolarHBondContact OG-ND1 3.13Å
68E66.1Low82.3Confident176 Ų17660.1 Ų60.182%0.82232%0.323SS*.THydrogen-bonded Turntrans-71.7-16.7172.1-66.7178.2-179.700112.3V66V66-E68 PolarHBondContact O-N 3.32Å
69S59.2Low82.2Confident73 Ų7361.7 Ų61.751%0.5133%0.332SS..SBendtrans-95.6152.6171.3-57.10000110.2V66 S67V66-S69 WeakPolarHBondContact O-CB 3.47Å; V66-S69 PolarHBondContact O-N 3.07Å; S67-S69 PolarHBondContact O-N 3.26Å
70S60.9Low82.2Confident83 Ų8362 Ų6258%0.5833%0.334SS*.  trans-37.8142.4-174.6-176.30000116.2R72 C73 H74S70-R72 PolarHBondContact O-N 3.3Å; S70-C73 VanDerWaalsContact O-CB 3.32Å; S70-C73 WeakPolarHBondContact O-CB 3.37Å; S70-C73 PolarHBondContact O-N 2.89Å; S70-H74 PolarHBondContact O-N 3.06Å
71S61Low82.2Confident101 Ų10161.4 Ų61.471%0.70633%0.333SS*.Hα-helixtrans-62.1-28.7-170.861.50000116H74S71-H74 PolarHBondContact O-N 3.13Å
72R60.5Low82.3Confident202 Ų20260.8 Ų60.876%0.76233%0.331SS*.Hα-helixtrans-66.1-42172.8-86.5174.883.5169.94111.3S70 H74 R75 D76S70-R72 PolarHBondContact O-N 3.3Å; R72-H74 PolarHBondContact O-N 3.14Å; R72-R75 PolarHBondContact O-N 3.45Å; R72-D76 VanDerWaalsContact O-CG 3.3Å; R72-D76 PolarHBondContact O-N 3.08Å
73C72.8Confident82.4Confident68 Ų6866.6 Ų66.646%0.45936%0.357SS..Hα-helixtrans-64.3-30.8179.2-52.50000112S70 Y77S70-C73 VanDerWaalsContact O-CB 3.32Å; S70-C73 WeakPolarHBondContact O-CB 3.37Å; S70-C73 PolarHBondContact O-N 2.89Å; C73-Y77 VanDerWaalsContact O-CB 3.28Å; C73-Y77 WeakPolarHBondContact O-CB 3.26Å; C73-Y77 PolarHBondContact O-N 2.82Å
74H83.4Confident82.6Confident28 Ų2871 Ų7113%0.1338%0.378CS..Hα-helixtrans-64.7-48.3178-176.979.2000112.8V66 S67 S70 S71 R72 Y77 V78V66-H74 HydrophobicContact CG1-CB 4.32Å; S67-H74 PolarHBondContact OG-CE1 3.25Å; S67-H74 PolarHBondContact OG-ND1 3.13Å; S70-H74 PolarHBondContact O-N 3.06Å; S71-H74 PolarHBondContact O-N 3.13Å; R72-H74 PolarHBondContact O-N 3.14Å; H74-Y77 PolarHBondContact O-N 3.29Å; H74-V78 WeakPolarHBondContact O-CG2 3.41Å; H74-V78 PolarHBondContact O-N 2.98Å; H74-V78 VanDerWaalsContact O-N 3.08Å
75R86.1Confident82.8Confident141 Ų14168.5 Ų68.553%0.53236%0.361SS..Hα-helixtrans-66.3-41.1179.3-177.9179.4-73.2-165.7-2.2111.7R72 Y77 V78 N79R72-R75 PolarHBondContact O-N 3.45Å; R75-Y77 VanDerWaalsContact C-N 3.28Å; R75-Y77 PolarHBondContact O-N 3.33Å; R75-V78 PolarHBondContact O-N 3.45Å; R75-N79 PolarHBondContact O-N 3.38Å; R75-N79 VanDerWaalsContact O-N 3.17Å; R75-N79 PolarHBondContact O-ND2 3.38Å
76D88.9Confident83.3Confident111 Ų11169 Ų6959%0.59436%0.36SS*.Hα-helixtrans-64.3-36.8179.5-63.3-18.3000111R72 N79 A80R72-D76 VanDerWaalsContact O-CG 3.3Å; R72-D76 PolarHBondContact O-N 3.08Å; D76-N79 CarbonylContact O-C 3.57Å; D76-A80 PolarHBondContact O-N 2.64Å; D76-A80 VanDerWaalsContact O-N 3.08Å
77Y92Very high83.9Confident16 Ų1668.6 Ų68.66%0.06336%0.358CS..Hα-helixtrans-70.1-44.6176.6-179.2-93.2000113.2V36 D37 N45 L47 I62 V66 C73 H74 R75 N79 A80V36-Y77 VanDerWaalsContact O-CE2 3.3Å; V36-Y77 WeakPolarHBondContact O-CE2 3.31Å; V36-Y77 VanDerWaalsContact O-CZ 3.3Å; V36-Y77 PolarHBondContact O-OH 3.32Å; D37-Y77 HydrophobicContact CB-CD2 4.25Å; D37-Y77 HydrophobicContact CB-CE2 3.93Å; D37-Y77 WeakPolarHBondContact OD1-CE2 3.44Å; N45-Y77 WeakPolarHBondContact ND2-CE2 3.33Å; L47-Y77 HydrophobicContact CB-CE1 3.78Å; L47-Y77 HydrophobicContact CD2-CD1 4.09Å; L47-Y77 HydrophobicContact CD2-CE1 3.77Å; L47-Y77 HydrophobicContact CG-CE1 4.3Å; I62-Y77 HydrophobicContact CG2-CE1 3.81Å; I62-Y77 WeakPolarHBondContact CG2-OH 3.49Å; V66-Y77 HydrophobicContact CB-CD1 4.42Å; V66-Y77 HydrophobicContact CG1-CD1 4.11Å; V66-Y77 HydrophobicContact CG1-CG 4.13Å; V66-Y77 HydrophobicContact CG2-CD1 3.79Å; V66-Y77 HydrophobicContact CG2-CE1 3.82Å; V66-Y77 HydrophobicContact CG2-CG 4.2Å; C73-Y77 VanDerWaalsContact O-CB 3.28Å; C73-Y77 WeakPolarHBondContact O-CB 3.26Å; C73-Y77 PolarHBondContact O-N 2.82Å; H74-Y77 PolarHBondContact O-N 3.29Å; R75-Y77 VanDerWaalsContact C-N 3.28Å; R75-Y77 PolarHBondContact O-N 3.33Å; Y77-N79 PolarHBondContact O-N 3.04Å; Y77-A80 VanDerWaalsContact O-CB 3.22Å; Y77-A80 WeakPolarHBondContact O-CB 3.41Å; Y77-A80 PolarHBondContact O-N 3.29Å; Y77-A80 VanDerWaalsContact O-N 3.12Å
78V93.9Very high84.9Confident1 Ų165.2 Ų65.21%0.00633%0.334CS..Hα-helixtrans-60.8-33.5178.1172.90000111.5L63 H74 R75 A107 A109L63-V78 HydrophobicContact CD2-CG2 3.56Å; H74-V78 WeakPolarHBondContact O-CG2 3.41Å; H74-V78 PolarHBondContact O-N 2.98Å; H74-V78 VanDerWaalsContact O-N 3.08Å; R75-V78 PolarHBondContact O-N 3.45Å; V78-A107 HydrophobicContact CG1-CB 4.43Å; V78-A107 HydrophobicContact CG2-CB 4.1Å; V78-A109 HydrophobicContact CG1-CB 3.66Å
79N95.4Very high86.4Confident33 Ų3356.9 Ų56.918%0.17630%0.295CS..THydrogen-bonded Turntrans-99.315.8179.5-62.7-55.2000113.3R75 D76 Y77 H108 A109 D110R75-N79 PolarHBondContact O-N 3.38Å; R75-N79 VanDerWaalsContact O-N 3.17Å; R75-N79 PolarHBondContact O-ND2 3.38Å; D76-N79 CarbonylContact O-C 3.57Å; Y77-N79 PolarHBondContact O-N 3.04Å; N79-H108 PolarHBondContact ND2-O 2.96Å; N79-A109 WeakPolarHBondContact OD1-CA 3.45Å; N79-D110 PolarHBondContact OD1-N 2.89Å
80A94.6Very high88.3Confident7 Ų754.4 Ų54.46%0.05828%0.275CS..  trans-58.1144.5170.700000109.8H48 D76 Y77H48-A80 PolarHBondContact CE1-O 2.86Å; H48-A80 VanDerWaalsContact CE1-O 3.32Å; H48-A80 PolarHBondContact NE2-O 3.32Å; D76-A80 PolarHBondContact O-N 2.64Å; D76-A80 VanDerWaalsContact O-N 3.08Å; Y77-A80 VanDerWaalsContact O-CB 3.22Å; Y77-A80 WeakPolarHBondContact O-CB 3.41Å; Y77-A80 PolarHBondContact O-N 3.29Å; Y77-A80 VanDerWaalsContact O-N 3.12Å
81L96.6Very high90Very high51 Ų5150.5 Ų50.527%0.26725%0.247SC..BIsolated β-bridgetrans-115146.5-178.2-51.4179.8000111R39 E86 Q113R39-L81 PolarHBondContact NH1-O 3Å; L81-E86 WeakPolarHBondContact CA-O 3.41Å; L81-Q113 HydrophobicContact CD2-CG 3.62Å
82T95.8Very high91.8Very high9 Ų945.7 Ų45.76%0.05521%0.214CC..  trans-70.9175.3166.671.30000110.7W44 E84 G85 E86W44-T82 HydrophobicContact CD2-CG2 4.33Å; W44-T82 HydrophobicContact CG-CG2 3.93Å; T82-E84 PolarHBondContact O-N 3.41Å; T82-E84 PolarHBondContact OG1-N 3.41Å; T82-G85 PolarHBondContact O-N 3.3Å; T82-E86 HydrophobicContact CG2-CB 4.14Å; T82-E86 WeakPolarHBondContact CG2-O 3.31Å; T82-E86 PolarHBondContact N-O 3.31Å; T82-E86 WeakPolarHBondContact OG1-CB 3.22Å; T82-E86 PolarHBondContact OG1-N 3.45Å; T82-E86 VanDerWaalsContact OG1-N 3.14Å; T82-E86 PolarHBondContact OG1-OE2 3.5Å
83H94.7Very high93.6Very high121 Ų12136.1 Ų36.156%0.5618%0.178SC*.THydrogen-bonded Turntrans-62.3-24.7173.2-69.1-39000113.3N41 R42 G43 G85 N116N41-H83 PolarHBondContact O-CD2 3.5Å; R42-H83 PolarHBondContact O-CD2 2.71Å; R42-H83 PolarHBondContact O-N 3.23Å; G43-H83 PolarHBondContact N-CD2 2.6Å; G43-H83 VanDerWaalsContact N-CD2 3.3Å; G43-H83 PolarHBondContact N-NE2 3.36Å; H83-G85 VanDerWaalsContact C-N 3.26Å; H83-G85 PolarHBondContact O-N 3.37Å; H83-N116 PolarHBondContact O-ND2 2.93Å
84E94.6Very high94.8Very high110 Ų11035.3 Ų35.351%0.51417%0.167SC..THydrogen-bonded Turntrans-85.66.3174.6-56.8-52.1150.100113.4T82 E86 T115 N116T82-E84 PolarHBondContact O-N 3.41Å; T82-E84 PolarHBondContact OG1-N 3.41Å; E84-E86 VanDerWaalsContact C-N 3.25Å; E84-E86 HydrophobicContact CB-CG 4Å; E84-E86 PolarHBondContact O-N 3.09Å; E84-T115 WeakPolarHBondContact O-CB 3.24Å; E84-N116 VanDerWaalsContact C-CG 3.49Å; E84-N116 WeakPolarHBondContact CA-ND2 3.41Å; E84-N116 PolarHBondContact O-N 3.2Å
85G95.3Very high95.5Very high6 Ų640.1 Ų40.16%0.06218%0.184CC..  trans74.613.5-178.300000113.7T82 H83T82-G85 PolarHBondContact O-N 3.3Å; H83-G85 VanDerWaalsContact C-N 3.26Å; H83-G85 PolarHBondContact O-N 3.37Å
86E96.9Very high96.1Very high31 Ų3134.6 Ų34.615%0.14517%0.171CC..  trans-80.7132.9-177.8-54.7169.7129.100110.7H48 L81 T82 E84 Y90 L91 T115H48-E86 PolarHBondContact NE2-O 3.17Å; L81-E86 WeakPolarHBondContact CA-O 3.41Å; T82-E86 HydrophobicContact CG2-CB 4.14Å; T82-E86 WeakPolarHBondContact CG2-O 3.31Å; T82-E86 PolarHBondContact N-O 3.31Å; T82-E86 WeakPolarHBondContact OG1-CB 3.22Å; T82-E86 PolarHBondContact OG1-N 3.45Å; T82-E86 VanDerWaalsContact OG1-N 3.14Å; T82-E86 PolarHBondContact OG1-OE2 3.5Å; E84-E86 VanDerWaalsContact C-N 3.25Å; E84-E86 HydrophobicContact CB-CG 4Å; E84-E86 PolarHBondContact O-N 3.09Å; E86-Y90 HydrophobicContact CB-CD1 3.8Å; E86-Y90 HydrophobicContact CB-CE1 4.36Å; E86-Y90 HydrophobicContact CB-CG 4.47Å; E86-Y90 HydrophobicContact CG-CD1 3.81Å; E86-Y90 HydrophobicContact CG-CE1 3.85Å; E86-L91 HydrophobicContact CB-CD2 4.25Å; E86-L91 HydrophobicContact CB-CG 4.34Å; E86-T115 HydrophobicContact CB-CG2 4.49Å; E86-T115 HydrophobicContact CG-CG2 3.94Å
87S97.2Very high96.5Very high2 Ų231.9 Ų31.91%0.01416%0.155CC..BIsolated β-bridgetrans-89.2161.417072.50000111.4C89 Y90 L91S87-C89 PolarHBondContact O-N 3.41Å; S87-C89 PolarHBondContact OG-N 2.78Å; S87-Y90 WeakPolarHBondContact O-CB 3.25Å; S87-Y90 PolarHBondContact O-N 2.78Å; S87-Y90 PolarHBondContact OG-N 2.7Å; S87-Y90 VanDerWaalsContact OG-N 3.08Å; S87-L91 PolarHBondContact O-N 3.06Å
88A97.2Very high96.8Very high0 Ų033.4 Ų33.40%016%0.163CC..Hα-helixtrans-56.1-33.7170.500000112.3L47 H48 A51 A92 L104L47-A88 HydrophobicContact CD2-CB 4.02Å; L47-A88 HydrophobicContact CG-CB 3.82Å; H48-A88 PolarHBondContact CD2-N 2.88Å; A51-A88 HydrophobicContact CB-CB 3.9Å; A51-A88 WeakPolarHBondContact CB-O 3.32Å; A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 3.46Å; A88-A92 VanDerWaalsContact O-N 3.09Å; A88-L104 HydrophobicContact CB-CD1 4.1Å; A88-L104 HydrophobicContact CB-CD2 4.36Å; A88-L104 WeakPolarHBondContact O-CD1 3.26Å
89C98Very high97Very high0 Ų035.5 Ų35.50%018%0.181CC..Hα-helixtrans-68.5-38.7176.3-1700000111.8S87 A93 L104 A109S87-C89 PolarHBondContact O-N 3.41Å; S87-C89 PolarHBondContact OG-N 2.78Å; C89-A93 VanDerWaalsContact O-CB 3.23Å; C89-A93 WeakPolarHBondContact O-CB 3.47Å; C89-A93 PolarHBondContact O-N 3.4Å; C89-L104 HydrophobicContact CB-CB 4.5Å; C89-L104 HydrophobicContact CB-CD1 4.24Å; C89-A109 HydrophobicContact CB-CB 3.97Å
90Y97.8Very high97.2Very high21 Ų2134 Ų348%0.08217%0.173CC..Hα-helixtrans-59.6-52.8173.9177.2-91.2000111.3E86 S87 A92 A93 Q94 T115 S119 A124E86-Y90 HydrophobicContact CB-CD1 3.8Å; E86-Y90 HydrophobicContact CB-CE1 4.36Å; E86-Y90 HydrophobicContact CB-CG 4.47Å; E86-Y90 HydrophobicContact CG-CD1 3.81Å; E86-Y90 HydrophobicContact CG-CE1 3.85Å; S87-Y90 WeakPolarHBondContact O-CB 3.25Å; S87-Y90 PolarHBondContact O-N 2.78Å; S87-Y90 PolarHBondContact OG-N 2.7Å; S87-Y90 VanDerWaalsContact OG-N 3.08Å; Y90-A92 VanDerWaalsContact C-N 3.33Å; Y90-A92 PolarHBondContact O-N 3.05Å; Y90-A93 PolarHBondContact O-N 3.02Å; Y90-Q94 WeakPolarHBondContact O-CB 3.44Å; Y90-Q94 PolarHBondContact O-N 3.01Å; Y90-T115 HydrophobicContact CD1-CG2 4.13Å; Y90-T115 HydrophobicContact CD2-CG2 3.73Å; Y90-T115 HydrophobicContact CE1-CG2 3.94Å; Y90-T115 HydrophobicContact CE2-CG2 3.53Å; Y90-T115 HydrophobicContact CG-CG2 4.02Å; Y90-S119 WeakPolarHBondContact CE2-OG 3.33Å; Y90-S119 PolarHBondContact OH-OG 2.89Å; Y90-A124 HydrophobicContact CD2-CB 4.08Å; Y90-A124 HydrophobicContact CE2-CB 3.52Å
91L98Very high97.3Very high2 Ų233.7 Ų33.71%0.0117%0.17CC..Hα-helixtrans-60.9-40.6-178.9-64.9173000112.6W44 H48 A52 E86 S87 A93 R95W44-L91 HydrophobicContact CD2-CD1 4.47Å; W44-L91 HydrophobicContact CE3-CD1 4.33Å; W44-L91 HydrophobicContact CH2-CD1 3.65Å; W44-L91 HydrophobicContact CH2-CD2 3.89Å; W44-L91 HydrophobicContact CH2-CG 4.39Å; W44-L91 HydrophobicContact CZ2-CD1 3.8Å; W44-L91 HydrophobicContact CZ2-CD2 3.81Å; W44-L91 HydrophobicContact CZ2-CG 4.48Å; W44-L91 HydrophobicContact CZ3-CD1 3.94Å; H48-L91 HydrophobicContact CB-CD1 3.76Å; A52-L91 HydrophobicContact CB-CB 4.25Å; A52-L91 HydrophobicContact CB-CD1 4.45Å; E86-L91 HydrophobicContact CB-CD2 4.25Å; E86-L91 HydrophobicContact CB-CG 4.34Å; S87-L91 PolarHBondContact O-N 3.06Å; L91-A93 VanDerWaalsContact C-N 3.35Å; L91-R95 WeakPolarHBondContact O-CG 3.29Å; L91-R95 PolarHBondContact O-N 3.16Å
92A98.3Very high97.4Very high0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-66.4-37.9175.300000112.1A51 A88 Y90 G96 H97 V100 V101 L104A51-A92 HydrophobicContact CB-CB 4.23Å; A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 3.46Å; A88-A92 VanDerWaalsContact O-N 3.09Å; Y90-A92 VanDerWaalsContact C-N 3.33Å; Y90-A92 PolarHBondContact O-N 3.05Å; A92-G96 PolarHBondContact O-N 3.43Å; A92-G96 VanDerWaalsContact O-N 3.16Å; A92-H97 HydrophobicContact CB-CB 4.32Å; A92-H97 PolarHBondContact O-N 3.22Å; A92-V100 HydrophobicContact CB-CB 4.11Å; A92-V100 HydrophobicContact CB-CG1 3.55Å; A92-V101 HydrophobicContact CB-CG2 3.7Å; A92-L104 HydrophobicContact CB-CD1 4.2Å
93A98.3Very high97.5Very high0 Ų037.1 Ų37.10%018%0.18CC..Hα-helixtrans-71.7-44.618000000112.2C89 Y90 L91 R95 G96 V101 P121 A125 H130 V133 L137C89-A93 VanDerWaalsContact O-CB 3.23Å; C89-A93 WeakPolarHBondContact O-CB 3.47Å; C89-A93 PolarHBondContact O-N 3.4Å; Y90-A93 PolarHBondContact O-N 3.02Å; L91-A93 VanDerWaalsContact C-N 3.35Å; A93-R95 PolarHBondContact O-N 3.19Å; A93-G96 PolarHBondContact O-N 3.15Å; A93-G96 VanDerWaalsContact O-N 3.14Å; A93-V101 HydrophobicContact CB-CG2 4.18Å; A93-P121 HydrophobicContact CB-CB 3.96Å; A93-P121 VanDerWaalsContact CB-O 3.31Å; A93-P121 WeakPolarHBondContact CB-O 3.48Å; A93-A125 HydrophobicContact CB-CB 4.31Å; A93-H130 PolarHBondContact O-CD2 3.43Å; A93-V133 HydrophobicContact CB-CG1 3.87Å; A93-L137 HydrophobicContact CB-CD1 4.26Å
94Q97.9Very high97.6Very high52 Ų5231.4 Ų31.424%0.24315%0.154CC..Hα-helixtrans-55.5-33.3175.1-171.7-17241.700112.5Y90 A124 N128 H130Y90-Q94 WeakPolarHBondContact O-CB 3.44Å; Y90-Q94 PolarHBondContact O-N 3.01Å; Q94-A124 HydrophobicContact CB-CB 3.87Å; Q94-A124 HydrophobicContact CG-CB 4.2Å; Q94-N128 WeakPolarHBondContact O-CB 3.31Å; Q94-H130 PolarHBondContact O-CD2 2.91Å; Q94-H130 VanDerWaalsContact O-CD2 3.27Å; Q94-H130 PolarHBondContact O-NE2 2.99Å
95R98.1Very high97.7Very high129 Ų12927.2 Ų27.249%0.48714%0.135SC..THydrogen-bonded Turntrans-101.64.1-178-61.9179.2179.7-140.3-4.3114.3A52 L91 A93 H97A52-R95 WeakPolarHBondContact O-CD 3.32Å; A52-R95 PolarHBondContact O-NH1 3.44Å; L91-R95 WeakPolarHBondContact O-CG 3.29Å; L91-R95 PolarHBondContact O-N 3.16Å; A93-R95 PolarHBondContact O-N 3.19Å; R95-H97 PolarHBondContact O-N 3.47Å
96G98Very high97.7Very high24 Ų2434.2 Ų34.225%0.24716%0.164CC..THydrogen-bonded Turntrans7916.8172.300000115.3A92 A93 L98 H130A92-G96 PolarHBondContact O-N 3.43Å; A92-G96 VanDerWaalsContact O-N 3.16Å; A93-G96 PolarHBondContact O-N 3.15Å; A93-G96 VanDerWaalsContact O-N 3.14Å; G96-L98 VanDerWaalsContact C-N 3.29Å; G96-L98 PolarHBondContact O-N 3.06Å; G96-H130 WeakPolarHBondContact CA-CD2 3.48Å; G96-H130 PolarHBondContact N-CD2 3.44Å; G96-H130 PolarHBondContact N-NE2 3.36Å; G96-H130 VanDerWaalsContact N-NE2 3.17Å
97H98.4Very high97.6Very high55 Ų5533.3 Ų33.326%0.25516%0.161SC..  trans-79.770.6-174.9-63.6-46.6000112.4A51 A52 G54 A92 R95 A99 V100 V101A51-H97 PolarHBondContact O-CD2 3.13Å; A51-H97 VanDerWaalsContact O-CD2 3.22Å; A52-H97 PolarHBondContact O-NE2 2.83Å; A52-H97 VanDerWaalsContact O-NE2 3.12Å; G54-H97 WeakPolarHBondContact CA-CD2 3.42Å; G54-H97 WeakPolarHBondContact CA-ND1 3.17Å; G54-H97 WeakPolarHBondContact CA-NE2 3.36Å; G54-H97 PolarHBondContact N-CD2 2.85Å; G54-H97 PolarHBondContact N-NE2 3.44Å; A92-H97 HydrophobicContact CB-CB 4.32Å; A92-H97 PolarHBondContact O-N 3.22Å; R95-H97 PolarHBondContact O-N 3.47Å; H97-A99 VanDerWaalsContact C-N 3.29Å; H97-A99 PolarHBondContact O-N 3.02Å; H97-A99 VanDerWaalsContact O-N 3.14Å; H97-V100 HydrophobicContact CB-CB 4.01Å; H97-V100 HydrophobicContact CB-CG2 4.2Å; H97-V100 WeakPolarHBondContact O-CB 3.26Å; H97-V100 PolarHBondContact O-N 3.3Å; H97-V101 PolarHBondContact O-N 2.89Å
98L98.4Very high97.4Very high48 Ų4838.9 Ų38.925%0.25119%0.187SC..Hα-helixtrans-49.1-43.9-174.8178.266.1000114.3G96 V100 V101 R102 E132 V133 L136G96-L98 VanDerWaalsContact C-N 3.29Å; G96-L98 PolarHBondContact O-N 3.06Å; L98-V100 VanDerWaalsContact C-N 3.33Å; L98-V101 PolarHBondContact O-N 2.74Å; L98-R102 WeakPolarHBondContact O-CB 3.23Å; L98-R102 PolarHBondContact O-N 3.38Å; L98-E132 HydrophobicContact CD1-CB 4.4Å; L98-E132 WeakPolarHBondContact CD1-O 3Å; L98-E132 HydrophobicContact CD2-CB 3.98Å; L98-V133 HydrophobicContact CB-CG2 4.23Å; L98-V133 HydrophobicContact CD1-CG2 4.42Å; L98-L136 HydrophobicContact CD1-CB 3.94Å; L98-L136 HydrophobicContact CD1-CD2 3.68Å; L98-L136 HydrophobicContact CD1-CG 4.43Å
99A98.2Very high97.3Very high45 Ų4539.3 Ų39.337%0.37219%0.191SC..Hα-helixtrans-65.6-38.9-178.700000111.8K56 H97 L103K56-A99 HydrophobicContact CB-CB 4.43Å; K56-A99 HydrophobicContact CD-CB 4Å; K56-A99 HydrophobicContact CG-CB 4.17Å; H97-A99 VanDerWaalsContact C-N 3.29Å; H97-A99 PolarHBondContact O-N 3.02Å; H97-A99 VanDerWaalsContact O-N 3.14Å; A99-L103 WeakPolarHBondContact O-CG 3.5Å; A99-L103 PolarHBondContact O-N 3.33Å
100V98.4Very high97.2Very high1 Ų142.5 Ų42.51%0.00621%0.208CC..Hα-helixtrans-68.7-48.9175.9171.40000110.5A51 K56 V59 A92 H97 L98 R102 L103 L104A51-V100 HydrophobicContact CB-CG1 4.03Å; K56-V100 HydrophobicContact CB-CG2 4.46Å; V59-V100 HydrophobicContact CG2-CG1 4.04Å; V59-V100 HydrophobicContact CG2-CG2 4.29Å; A92-V100 HydrophobicContact CB-CB 4.11Å; A92-V100 HydrophobicContact CB-CG1 3.55Å; H97-V100 HydrophobicContact CB-CB 4.01Å; H97-V100 HydrophobicContact CB-CG2 4.2Å; H97-V100 WeakPolarHBondContact O-CB 3.26Å; H97-V100 PolarHBondContact O-N 3.3Å; L98-V100 VanDerWaalsContact C-N 3.33Å; V100-R102 PolarHBondContact O-N 3.44Å; V100-L103 WeakPolarHBondContact O-CB 3.44Å; V100-L103 PolarHBondContact O-N 3.32Å; V100-L104 HydrophobicContact CG1-CD1 3.64Å; V100-L104 HydrophobicContact CG1-CG 4.08Å; V100-L104 WeakPolarHBondContact O-CG 3.37Å; V100-L104 PolarHBondContact O-N 3.25Å
101V98.4Very high97Very high0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-54.2-45.1177.2176.30000110.2A92 A93 H97 L98 L103 L104 L105 V133 L136 L137A92-V101 HydrophobicContact CB-CG2 3.7Å; A93-V101 HydrophobicContact CB-CG2 4.18Å; H97-V101 PolarHBondContact O-N 2.89Å; L98-V101 PolarHBondContact O-N 2.74Å; V101-L103 VanDerWaalsContact C-N 3.32Å; V101-L103 PolarHBondContact O-N 2.95Å; V101-L104 PolarHBondContact O-N 2.91Å; V101-L105 HydrophobicContact CG1-CD1 3.91Å; V101-L105 HydrophobicContact CG1-CG 4.28Å; V101-L105 WeakPolarHBondContact O-CB 3.48Å; V101-L105 VanDerWaalsContact O-CG 3.23Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 3.31Å; V101-V133 HydrophobicContact CG1-CG1 4.44Å; V101-V133 HydrophobicContact CG2-CG1 4.16Å; V101-L136 HydrophobicContact CB-CD2 4.3Å; V101-L136 HydrophobicContact CG1-CD2 3.91Å; V101-L137 HydrophobicContact CG1-CD2 3.98Å; V101-L137 HydrophobicContact CG1-CG 4.44Å
102R98.1Very high96.8Very high109 Ų10944.1 Ų44.141%0.41122%0.217SC..Hα-helixtrans-59.9-39177.2-168.6-172.3-53.4-81.6-3.2113.2L98 V100 K106 L136L98-R102 WeakPolarHBondContact O-CB 3.23Å; L98-R102 PolarHBondContact O-N 3.38Å; V100-R102 PolarHBondContact O-N 3.44Å; R102-K106 WeakPolarHBondContact O-CG 3.48Å; R102-K106 PolarHBondContact O-N 3.49Å; R102-L136 HydrophobicContact CB-CD2 3.91Å; R102-L136 HydrophobicContact CG-CD2 4.48Å
103L97.3Very high96.6Very high24 Ų2446.6 Ų46.613%0.12623%0.229CC..Hα-helixtrans-70.2-46.2177.3-74.6176000111.9K56 V59 E60 A99 V100 V101 L105 K106 A107K56-L103 HydrophobicContact CB-CD1 4.44Å; K56-L103 HydrophobicContact CD-CD1 4.3Å; K56-L103 HydrophobicContact CG-CD1 3.34Å; K56-L103 HydrophobicContact CG-CG 4.38Å; V59-L103 HydrophobicContact CG1-CB 4.45Å; V59-L103 HydrophobicContact CG1-CD1 4.43Å; E60-L103 HydrophobicContact CG-CD1 3.42Å; E60-L103 VanDerWaalsContact CG-CD1 3.42Å; E60-L103 HydrophobicContact CG-CD2 4.05Å; E60-L103 HydrophobicContact CG-CG 4.38Å; A99-L103 WeakPolarHBondContact O-CG 3.5Å; A99-L103 PolarHBondContact O-N 3.33Å; V100-L103 WeakPolarHBondContact O-CB 3.44Å; V100-L103 PolarHBondContact O-N 3.32Å; V101-L103 VanDerWaalsContact C-N 3.32Å; V101-L103 PolarHBondContact O-N 2.95Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 3.1Å; L103-K106 WeakPolarHBondContact O-CB 3.45Å; L103-K106 PolarHBondContact O-N 3.24Å; L103-K106 VanDerWaalsContact O-N 3.07Å; L103-A107 PolarHBondContact O-N 3.29Å
104L97.2Very high96.4Very high0 Ų048.8 Ų48.80%024%0.24CC..Hα-helixtrans-60.2-41.9179-67.6173.5000111.2L47 A51 V59 A88 C89 A92 V100 V101 K106 A107 H108 A109L47-L104 HydrophobicContact CD1-CD2 4.04Å; L47-L104 HydrophobicContact CD2-CD2 4.24Å; L47-L104 HydrophobicContact CG-CD2 4.37Å; A51-L104 HydrophobicContact CB-CD1 4.26Å; V59-L104 HydrophobicContact CG1-CD2 4.04Å; V59-L104 HydrophobicContact CG1-CG 4.45Å; A88-L104 HydrophobicContact CB-CD1 4.1Å; A88-L104 HydrophobicContact CB-CD2 4.36Å; A88-L104 WeakPolarHBondContact O-CD1 3.26Å; C89-L104 HydrophobicContact CB-CB 4.5Å; C89-L104 HydrophobicContact CB-CD1 4.24Å; A92-L104 HydrophobicContact CB-CD1 4.2Å; V100-L104 HydrophobicContact CG1-CD1 3.64Å; V100-L104 HydrophobicContact CG1-CG 4.08Å; V100-L104 WeakPolarHBondContact O-CG 3.37Å; V100-L104 PolarHBondContact O-N 3.25Å; V101-L104 PolarHBondContact O-N 2.91Å; L104-K106 VanDerWaalsContact C-N 3.34Å; L104-K106 PolarHBondContact O-N 2.85Å; L104-A107 CarbonylContact O-C 3.5Å; L104-A107 WeakPolarHBondContact O-CA 3.49Å; L104-A107 WeakPolarHBondContact O-CB 3.41Å; L104-A107 PolarHBondContact O-N 3Å; L104-H108 PolarHBondContact O-N 3.43Å; L104-A109 HydrophobicContact CB-CB 3.9Å; L104-A109 WeakPolarHBondContact O-CB 3.36Å; L104-A109 PolarHBondContact O-N 3.45Å
105L96.4Very high96.2Very high23 Ų2346.8 Ų46.812%0.1223%0.232CC..Hα-helixtrans-64.3-35.2174.5-65.7175.2000113V101 L103 A107 H108 L111 L136 L137 K140V101-L105 HydrophobicContact CG1-CD1 3.91Å; V101-L105 HydrophobicContact CG1-CG 4.28Å; V101-L105 WeakPolarHBondContact O-CB 3.48Å; V101-L105 VanDerWaalsContact O-CG 3.23Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 3.31Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 3.1Å; L105-A107 VanDerWaalsContact C-N 3.25Å; L105-A107 PolarHBondContact O-N 2.69Å; L105-H108 PolarHBondContact O-N 3.35Å; L105-L111 HydrophobicContact CD2-CB 3.72Å; L105-L111 HydrophobicContact CD2-CD2 4.01Å; L105-L111 HydrophobicContact CD2-CG 4.48Å; L105-L136 HydrophobicContact CD1-CD2 4.19Å; L105-L136 HydrophobicContact CD1-CG 4.14Å; L105-L137 HydrophobicContact CD1-CD2 4.1Å; L105-L137 HydrophobicContact CD2-CD2 4.47Å; L105-K140 HydrophobicContact CD1-CB 4.39Å; L105-K140 HydrophobicContact CD1-CG 4.09Å
106K95.2Very high95.9Very high153 Ų15345.3 Ų45.367%0.66523%0.233SC*.Hα-helixtrans-66.4-30.7172-75.7177.8178-172.90111.9R102 L103 L104 H108R102-K106 WeakPolarHBondContact O-CG 3.48Å; R102-K106 PolarHBondContact O-N 3.49Å; L103-K106 WeakPolarHBondContact O-CB 3.45Å; L103-K106 PolarHBondContact O-N 3.24Å; L103-K106 VanDerWaalsContact O-N 3.07Å; L104-K106 VanDerWaalsContact C-N 3.34Å; L104-K106 PolarHBondContact O-N 2.85Å; K106-H108 PolarHBondContact O-N 3.48Å
107A94.1Very high95.5Very high12 Ų1250.2 Ų50.210%0.09925%0.254CS..THydrogen-bonded Turntrans-8517.1174.900000113.4L63 V78 L103 L104 L105 A109L63-A107 HydrophobicContact CD1-CB 3.89Å; L63-A107 HydrophobicContact CD2-CB 4.22Å; V78-A107 HydrophobicContact CG1-CB 4.43Å; V78-A107 HydrophobicContact CG2-CB 4.1Å; L103-A107 PolarHBondContact O-N 3.29Å; L104-A107 CarbonylContact O-C 3.5Å; L104-A107 WeakPolarHBondContact O-CA 3.49Å; L104-A107 WeakPolarHBondContact O-CB 3.41Å; L104-A107 PolarHBondContact O-N 3Å; L105-A107 VanDerWaalsContact C-N 3.25Å; L105-A107 PolarHBondContact O-N 2.69Å; A107-A109 PolarHBondContact O-N 3.45Å
108H93.4Very high95.1Very high119 Ų11952.1 Ų52.155%0.55127%0.266SS*.THydrogen-bonded Turntrans62.535.3179-52.3-71.7000114.9N79 L104 L105 K106N79-H108 PolarHBondContact ND2-O 2.96Å; L104-H108 PolarHBondContact O-N 3.43Å; L105-H108 PolarHBondContact O-N 3.35Å; K106-H108 PolarHBondContact O-N 3.48Å
109A95.9Very high94.8Very high9 Ų950.4 Ų50.47%0.07426%0.258CS..  trans-60.9137165.300000111V78 N79 C89 L104 A107 L111V78-A109 HydrophobicContact CG1-CB 3.66Å; N79-A109 WeakPolarHBondContact OD1-CA 3.45Å; C89-A109 HydrophobicContact CB-CB 3.97Å; L104-A109 HydrophobicContact CB-CB 3.9Å; L104-A109 WeakPolarHBondContact O-CB 3.36Å; L104-A109 PolarHBondContact O-N 3.45Å; A107-A109 PolarHBondContact O-N 3.45Å; A109-L111 PolarHBondContact O-N 3.38Å
110D95.2Very high94.6Very high67 Ų6748.3 Ų48.336%0.35824%0.241SC..  trans-74.8111.8173.6-172.3-4.8000109.6N79 N112 Q113N79-D110 PolarHBondContact OD1-N 2.89Å; D110-N112 VanDerWaalsContact C-N 3.29Å; D110-N112 PolarHBondContact OD1-N 3.45Å; D110-Q113 HydrophobicContact CB-CB 4.16Å; D110-Q113 PolarHBondContact OD1-N 3Å
111L94.3Very high94.5Very high25 Ų2548.3 Ų48.313%0.13124%0.24CC..THydrogen-bonded Turntrans-80.4-8.6-178.961.889.6000113.4L105 A109 P121 L137 K140 A142L105-L111 HydrophobicContact CD2-CB 3.72Å; L105-L111 HydrophobicContact CD2-CD2 4.01Å; L105-L111 HydrophobicContact CD2-CG 4.48Å; A109-L111 PolarHBondContact O-N 3.38Å; L111-P121 WeakPolarHBondContact O-CD 3.46Å; L111-L137 HydrophobicContact CB-CD2 4.34Å; L111-K140 HydrophobicContact CD2-CB 4.17Å; L111-A142 HydrophobicContact CD1-CB 3.76Å
112N94Very high94.4Very high31 Ų3148.3 Ų48.317%0.16624%0.24CC..THydrogen-bonded Turntrans-113.16.4178-62.5-55.8000113.1D110 L114 Q143 R146D110-N112 VanDerWaalsContact C-N 3.29Å; D110-N112 PolarHBondContact OD1-N 3.45Å; N112-L114 PolarHBondContact O-N 2.87Å; N112-Q143 WeakPolarHBondContact OD1-CB 3.3Å; N112-Q143 WeakPolarHBondContact OD1-CG 3.43Å; N112-Q143 PolarHBondContact OD1-N 3.03Å; N112-R146 PolarHBondContact O-NH1 2.98Å
113Q93.7Very high94.3Very high53 Ų5344.2 Ų44.225%0.24823%0.225CC..PPolyproline II helixtrans-56.8131.3175.2178.558.653.900110.1L81 D110 P121L81-Q113 HydrophobicContact CD2-CG 3.62Å; D110-Q113 HydrophobicContact CB-CB 4.16Å; D110-Q113 PolarHBondContact OD1-N 3Å; Q113-P121 WeakPolarHBondContact O-CD 3.43Å
114L93.3Very high94.3Very high45 Ų4543.1 Ų43.124%0.23622%0.22CC..PPolyproline II helixtrans-94.1144.1178.2-63.8-175.6000111.5N112 L118 S119 C120 R146N112-L114 PolarHBondContact O-N 2.87Å; L114-L118 HydrophobicContact CD1-CD2 4.09Å; L114-S119 CarbonylContact C-O 3.06Å; L114-S119 VanDerWaalsContact CA-O 3.27Å; L114-S119 WeakPolarHBondContact CA-O 3.49Å; L114-C120 HydrophobicContact CD2-CB 3.85Å; L114-R146 VanDerWaalsContact CD1-NH1 3.34Å; L114-R146 VanDerWaalsContact CD2-NH1 3.3Å
115T94.1Very high94.3Very high10 Ų1043.1 Ų43.16%0.06122%0.22CC..PPolyproline II helixtrans-75.9173.516268.30000110.6E84 E86 Y90 D117 L118 S119E84-T115 WeakPolarHBondContact O-CB 3.24Å; E86-T115 HydrophobicContact CB-CG2 4.49Å; E86-T115 HydrophobicContact CG-CG2 3.94Å; Y90-T115 HydrophobicContact CD1-CG2 4.13Å; Y90-T115 HydrophobicContact CD2-CG2 3.73Å; Y90-T115 HydrophobicContact CE1-CG2 3.94Å; Y90-T115 HydrophobicContact CE2-CG2 3.53Å; Y90-T115 HydrophobicContact CG-CG2 4.02Å; T115-D117 PolarHBondContact O-N 3.13Å; T115-D117 PolarHBondContact OG1-N 3.24Å; T115-L118 PolarHBondContact O-N 3.29Å; T115-S119 PolarHBondContact N-O 3.49Å; T115-S119 WeakPolarHBondContact OG1-CB 3.28Å; T115-S119 PolarHBondContact OG1-N 3.38Å
116N93.1Very high94.4Very high98 Ų9842 Ų4252%0.52421%0.214SC..THydrogen-bonded Turntrans-59.1-28.1174.6-66.2-12.9000112.5H83 E84 L118H83-N116 PolarHBondContact O-ND2 2.93Å; E84-N116 VanDerWaalsContact C-CG 3.49Å; E84-N116 WeakPolarHBondContact CA-ND2 3.41Å; E84-N116 PolarHBondContact O-N 3.2Å; N116-L118 VanDerWaalsContact C-N 3.29Å; N116-L118 PolarHBondContact O-N 3.33Å
117D88.8Confident94.5Very high128 Ų12837.3 Ų37.368%0.68420%0.196SC*.THydrogen-bonded Turntrans-89.316.2177.7-60.1-35000113.6T115 S119T115-D117 PolarHBondContact O-N 3.13Å; T115-D117 PolarHBondContact OG1-N 3.24Å; D117-S119 PolarHBondContact O-N 2.86Å; D117-S119 VanDerWaalsContact O-N 3.1Å
118L89.1Confident94.6Very high94 Ų9440.1 Ų40.149%0.49221%0.209SC..SBendtrans62.115.8-179.4-50176.1000114.8L114 T115 N116 H148L114-L118 HydrophobicContact CD1-CD2 4.09Å; T115-L118 PolarHBondContact O-N 3.29Å; N116-L118 VanDerWaalsContact C-N 3.29Å; N116-L118 PolarHBondContact O-N 3.33Å; L118-H148 PolarHBondContact O-ND1 3.05Å
119S92Very high94.9Very high12 Ų1235.7 Ų35.78%0.08420%0.196CC..  trans-80.4153.5172.5-171.30000110.9Y90 L114 T115 D117 Y123Y90-S119 WeakPolarHBondContact CE2-OG 3.33Å; Y90-S119 PolarHBondContact OH-OG 2.89Å; L114-S119 CarbonylContact C-O 3.06Å; L114-S119 VanDerWaalsContact CA-O 3.27Å; L114-S119 WeakPolarHBondContact CA-O 3.49Å; T115-S119 PolarHBondContact N-O 3.49Å; T115-S119 WeakPolarHBondContact OG1-CB 3.28Å; T115-S119 PolarHBondContact OG1-N 3.38Å; D117-S119 PolarHBondContact O-N 2.86Å; D117-S119 VanDerWaalsContact O-N 3.1Å; S119-Y123 WeakPolarHBondContact OG-CD1 3.47Å
120C93.8Very high95Very high2 Ų237.9 Ų37.91%0.01420%0.204CC..  trans-131.616817883.30000111.2L114 L122 Y123 A124 H148L114-C120 HydrophobicContact CD2-CB 3.85Å; C120-L122 PolarHBondContact O-N 3.16Å; C120-L122 PolarHBondContact SG-N 3.43Å; C120-Y123 PolarHBondContact O-N 3.34Å; C120-Y123 VanDerWaalsContact O-N 3.11Å; C120-Y123 PolarHBondContact SG-N 3.28Å; C120-Y123 VanDerWaalsContact SG-N 3.42Å; C120-A124 PolarHBondContact O-N 3.44Å; C120-H148 PolarHBondContact SG-CE1 3.11Å
121P96.8Very high95.1Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-54.6-37.5179.6-27.433.9000114A93 L111 Q113 A125 L137A93-P121 HydrophobicContact CB-CB 3.96Å; A93-P121 VanDerWaalsContact CB-O 3.31Å; A93-P121 WeakPolarHBondContact CB-O 3.48Å; L111-P121 WeakPolarHBondContact O-CD 3.46Å; Q113-P121 WeakPolarHBondContact O-CD 3.43Å; P121-A125 WeakPolarHBondContact O-CB 3.45Å; P121-A125 PolarHBondContact O-N 2.94Å; P121-A125 VanDerWaalsContact O-N 3.16Å; P121-L137 HydrophobicContact CB-CD1 4.2Å
122L97.2Very high95.3Very high1 Ų139.3 Ų39.31%0.00521%0.21CC..Hα-helixtrans-65.7-49.6176.7179.167.8000111C120 A124 A125 V126 V134 L137 V138 A142 V144C120-L122 PolarHBondContact O-N 3.16Å; C120-L122 PolarHBondContact SG-N 3.43Å; L122-A124 PolarHBondContact O-N 2.89Å; L122-A125 PolarHBondContact O-N 2.7Å; L122-V126 WeakPolarHBondContact O-CG2 3.48Å; L122-V126 PolarHBondContact O-N 2.86Å; L122-V134 HydrophobicContact CD1-CB 4.48Å; L122-V134 HydrophobicContact CD1-CG1 3.98Å; L122-L137 HydrophobicContact CB-CD1 4.29Å; L122-L137 HydrophobicContact CD1-CB 3.95Å; L122-L137 HydrophobicContact CD1-CD1 4.4Å; L122-V138 HydrophobicContact CD1-CG2 3.96Å; L122-A142 HydrophobicContact CB-CB 4.17Å; L122-A142 HydrophobicContact CD2-CB 3.88Å; L122-A142 HydrophobicContact CG-CB 4.42Å; L122-V144 HydrophobicContact CD2-CB 4.34Å; L122-V144 HydrophobicContact CD2-CG1 3.9Å
123Y96.1Very high95.5Very high22 Ų2237.9 Ų37.99%0.08620%0.203CC..Hα-helixtrans-61.3-43.6-179.4-172-94.8000111.9S119 C120 A125 V126 D127 H148 T149 Q158S119-Y123 WeakPolarHBondContact OG-CD1 3.47Å; C120-Y123 PolarHBondContact O-N 3.34Å; C120-Y123 VanDerWaalsContact O-N 3.11Å; C120-Y123 PolarHBondContact SG-N 3.28Å; C120-Y123 VanDerWaalsContact SG-N 3.42Å; Y123-A125 VanDerWaalsContact C-N 3.34Å; Y123-A125 PolarHBondContact O-N 2.95Å; Y123-V126 WeakPolarHBondContact O-CB 3.28Å; Y123-V126 PolarHBondContact O-N 3.05Å; Y123-V126 VanDerWaalsContact O-N 3.11Å; Y123-D127 WeakPolarHBondContact O-CB 3.32Å; Y123-D127 PolarHBondContact O-N 2.91Å; Y123-H148 HydrophobicContact CD1-CB 4.12Å; Y123-H148 HydrophobicContact CD2-CB 3.37Å; Y123-H148 AromaticContact CD2-CD2 3.38Å; Y123-H148 WeakPolarHBondContact CD2-CD2 3.42Å; Y123-H148 AromaticContact CD2-CG 3.46Å; Y123-H148 VanDerWaalsContact CD2-CG 3.46Å; Y123-H148 HydrophobicContact CE1-CB 4.31Å; Y123-H148 HydrophobicContact CE2-CB 3.58Å; Y123-H148 HydrophobicContact CG-CB 3.64Å; Y123-H148 AromaticContact CG-CD2 3.9Å; Y123-H148 AromaticContact CG-CG 3.67Å; Y123-T149 VanDerWaalsContact OH-CG2 3.27Å; Y123-T149 WeakPolarHBondContact OH-CG2 3.23Å; Y123-Q158 HydrophobicContact CE2-CB 3.73Å; Y123-Q158 HydrophobicContact CE2-CG 4.03Å; Y123-Q158 PolarHBondContact OH-OE1 2.99Å; Y123-Q158 VanDerWaalsContact OH-OE1 3.13Å
124A96.3Very high95.8Very high2 Ų235.4 Ų35.42%0.01719%0.191CC..Hα-helixtrans-62.6-39.7177.200000112.8Y90 Q94 C120 L122 V126 N128Y90-A124 HydrophobicContact CD2-CB 4.08Å; Y90-A124 HydrophobicContact CE2-CB 3.52Å; Q94-A124 HydrophobicContact CB-CB 3.87Å; Q94-A124 HydrophobicContact CG-CB 4.2Å; C120-A124 PolarHBondContact O-N 3.44Å; L122-A124 PolarHBondContact O-N 2.89Å; A124-V126 VanDerWaalsContact C-N 3.32Å; A124-N128 WeakPolarHBondContact O-CB 3.28Å; A124-N128 PolarHBondContact O-N 3.18Å; A124-N128 PolarHBondContact O-ND2 2.98Å
125A98.1Very high96Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-66.8-34.417400000112.3A93 P121 L122 Y123 G129 H130 V133 V134 L137A93-A125 HydrophobicContact CB-CB 4.31Å; P121-A125 WeakPolarHBondContact O-CB 3.45Å; P121-A125 PolarHBondContact O-N 2.94Å; P121-A125 VanDerWaalsContact O-N 3.16Å; L122-A125 PolarHBondContact O-N 2.7Å; Y123-A125 VanDerWaalsContact C-N 3.34Å; Y123-A125 PolarHBondContact O-N 2.95Å; A125-G129 PolarHBondContact O-N 3.41Å; A125-H130 HydrophobicContact CB-CB 4.32Å; A125-H130 PolarHBondContact O-N 3.39Å; A125-V133 HydrophobicContact CB-CB 4.08Å; A125-V133 HydrophobicContact CB-CG1 3.64Å; A125-V134 HydrophobicContact CB-CG2 3.9Å; A125-L137 HydrophobicContact CB-CD1 4.41Å
126V98.1Very high96.2Very high0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-67.3-51.5174.3168.90000111L122 Y123 A124 N128 G129 V134 C155 Q158 A159 H164 I167 L171L122-V126 WeakPolarHBondContact O-CG2 3.48Å; L122-V126 PolarHBondContact O-N 2.86Å; Y123-V126 WeakPolarHBondContact O-CB 3.28Å; Y123-V126 PolarHBondContact O-N 3.05Å; Y123-V126 VanDerWaalsContact O-N 3.11Å; A124-V126 VanDerWaalsContact C-N 3.32Å; V126-N128 PolarHBondContact O-N 3.15Å; V126-G129 PolarHBondContact O-N 3.5Å; V126-V134 HydrophobicContact CG2-CG1 4.34Å; V126-V134 HydrophobicContact CG2-CG2 3.7Å; V126-C155 WeakPolarHBondContact CG1-O 3.08Å; V126-C155 HydrophobicContact CG2-CB 4.13Å; V126-Q158 HydrophobicContact CG1-CB 4.06Å; V126-Q158 HydrophobicContact CG1-CG 4.18Å; V126-A159 HydrophobicContact CG1-CB 3.81Å; V126-H164 PolarHBondContact O-CD2 3.45Å; V126-H164 VanDerWaalsContact O-CD2 3.23Å; V126-I167 HydrophobicContact CG1-CG2 4.21Å; V126-I167 HydrophobicContact CG2-CG2 3.94Å; V126-L171 HydrophobicContact CG2-CD1 4.3Å
127D96.6Very high96.4Very high53 Ų5331.3 Ų31.328%0.28317%0.166SC..Hα-helixtrans-58.3-32.9-178.7-179.353.6000113.1Y123 Q158 K162Y123-D127 WeakPolarHBondContact O-CB 3.32Å; Y123-D127 PolarHBondContact O-N 2.91Å; D127-Q158 HydrophobicContact CB-CG 4.2Å; D127-Q158 PolarHBondContact OD1-NE2 3.04Å; D127-K162 WeakPolarHBondContact OD1-CE 3.46Å; D127-K162 IonicContact OD1-NZ 2.84Å
128N97.6Very high96.8Very high71 Ų7126.4 Ų26.438%0.3814%0.141SC..THydrogen-bonded Turntrans-97.17.4179.9-68.3-87.8000113.9Q94 A124 V126 H130Q94-N128 WeakPolarHBondContact O-CB 3.31Å; A124-N128 WeakPolarHBondContact O-CB 3.28Å; A124-N128 PolarHBondContact O-N 3.18Å; A124-N128 PolarHBondContact O-ND2 2.98Å; V126-N128 PolarHBondContact O-N 3.15Å; N128-H130 PolarHBondContact O-N 2.85Å
129G97.9Very high97.2Very high26 Ų2630.6 Ų30.627%0.26815%0.15SC..THydrogen-bonded Turntrans72.823.3172.700000115.5A125 V126 T131 H164A125-G129 PolarHBondContact O-N 3.41Å; V126-G129 PolarHBondContact O-N 3.5Å; G129-T131 PolarHBondContact O-N 3.33Å; G129-T131 VanDerWaalsContact O-N 3.09Å; G129-H164 VanDerWaalsContact CA-CD2 3.48Å; G129-H164 WeakPolarHBondContact CA-CD2 3.45Å; G129-H164 WeakPolarHBondContact CA-NE2 3.05Å; G129-H164 PolarHBondContact N-NE2 2.91Å
130H98.4Very high97.4Very high55 Ų5536.2 Ų36.226%0.25517%0.173SC..  trans-87.870.7-175.4-63.1-41.1000113.4A93 Q94 G96 A125 N128 E132 V133 V134A93-H130 PolarHBondContact O-CD2 3.43Å; Q94-H130 PolarHBondContact O-CD2 2.91Å; Q94-H130 VanDerWaalsContact O-CD2 3.27Å; Q94-H130 PolarHBondContact O-NE2 2.99Å; G96-H130 WeakPolarHBondContact CA-CD2 3.48Å; G96-H130 PolarHBondContact N-CD2 3.44Å; G96-H130 PolarHBondContact N-NE2 3.36Å; G96-H130 VanDerWaalsContact N-NE2 3.17Å; A125-H130 HydrophobicContact CB-CB 4.32Å; A125-H130 PolarHBondContact O-N 3.39Å; N128-H130 PolarHBondContact O-N 2.85Å; H130-E132 VanDerWaalsContact C-N 3.34Å; H130-E132 PolarHBondContact O-N 3.25Å; H130-E132 VanDerWaalsContact O-N 3.16Å; H130-V133 HydrophobicContact CB-CB 4.12Å; H130-V133 HydrophobicContact CB-CG2 4.24Å; H130-V133 WeakPolarHBondContact O-CB 3.42Å; H130-V133 PolarHBondContact O-N 2.91Å; H130-V134 PolarHBondContact O-N 3.4Å
131T98.4Very high97.4Very high28 Ų2838.6 Ų38.617%0.17220%0.198CC..Hα-helixtrans-48.4-44.6-174.7-52.70000115.1G129 V133 V134 K135 D166 I167G129-T131 PolarHBondContact O-N 3.33Å; G129-T131 VanDerWaalsContact O-N 3.09Å; T131-V133 PolarHBondContact O-N 2.95Å; T131-V134 PolarHBondContact O-N 2.96Å; T131-K135 HydrophobicContact CG2-CD 4.46Å; T131-K135 WeakPolarHBondContact O-CG 3.45Å; T131-K135 PolarHBondContact O-N 3.11Å; T131-D166 HydrophobicContact CG2-CB 4.02Å; T131-I167 HydrophobicContact CG2-CG1 4.42Å
132E98.4Very high97.3Very high94 Ų9439.1 Ų39.144%0.43920%0.202SC..Hα-helixtrans-71.3-31.1-178.5-67.3-54.5122.700113L98 H130 K135 L136L98-E132 HydrophobicContact CD1-CB 4.4Å; L98-E132 WeakPolarHBondContact CD1-O 3Å; L98-E132 HydrophobicContact CD2-CB 3.98Å; H130-E132 VanDerWaalsContact C-N 3.34Å; H130-E132 PolarHBondContact O-N 3.25Å; H130-E132 VanDerWaalsContact O-N 3.16Å; E132-K135 WeakPolarHBondContact OE1-CD 3.38Å; E132-K135 IonicContact OE1-NZ 3.92Å; E132-K135 PolarHBondContact OE1-NZ 3.13Å; E132-L136 PolarHBondContact O-N 3.14Å; E132-L136 VanDerWaalsContact O-N 3.11Å
133V98.6Very high97.1Very high2 Ų243.3 Ų43.31%0.01222%0.222CC..Hα-helixtrans-69-44.8172.2175.30000109.8A93 L98 V101 A125 H130 T131 K135 L136 L137A93-V133 HydrophobicContact CB-CG1 3.87Å; L98-V133 HydrophobicContact CB-CG2 4.23Å; L98-V133 HydrophobicContact CD1-CG2 4.42Å; V101-V133 HydrophobicContact CG1-CG1 4.44Å; V101-V133 HydrophobicContact CG2-CG1 4.16Å; A125-V133 HydrophobicContact CB-CB 4.08Å; A125-V133 HydrophobicContact CB-CG1 3.64Å; H130-V133 HydrophobicContact CB-CB 4.12Å; H130-V133 HydrophobicContact CB-CG2 4.24Å; H130-V133 WeakPolarHBondContact O-CB 3.42Å; H130-V133 PolarHBondContact O-N 2.91Å; T131-V133 PolarHBondContact O-N 2.95Å; V133-K135 PolarHBondContact O-N 3.09Å; V133-L136 WeakPolarHBondContact O-CB 3.42Å; V133-L136 PolarHBondContact O-N 2.84Å; V133-L136 VanDerWaalsContact O-N 3.12Å; V133-L137 HydrophobicContact CG1-CD1 3.74Å; V133-L137 HydrophobicContact CG1-CG 4.2Å; V133-L137 WeakPolarHBondContact O-CG 3.39Å; V133-L137 PolarHBondContact O-N 3.48Å
134V98.4Very high96.9Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-55.8-51.2174.8174.80000110.8L122 A125 V126 H130 T131 L136 L137 V138 I167 V170 L171L122-V134 HydrophobicContact CD1-CB 4.48Å; L122-V134 HydrophobicContact CD1-CG1 3.98Å; A125-V134 HydrophobicContact CB-CG2 3.9Å; V126-V134 HydrophobicContact CG2-CG1 4.34Å; V126-V134 HydrophobicContact CG2-CG2 3.7Å; H130-V134 PolarHBondContact O-N 3.4Å; T131-V134 PolarHBondContact O-N 2.96Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 PolarHBondContact O-N 3.13Å; V134-L137 PolarHBondContact O-N 3.13Å; V134-L137 VanDerWaalsContact O-N 3.15Å; V134-V138 HydrophobicContact CG1-CG2 4.08Å; V134-V138 WeakPolarHBondContact O-CB 3.45Å; V134-V138 WeakPolarHBondContact O-CG2 3.15Å; V134-V138 PolarHBondContact O-N 3.3Å; V134-I167 HydrophobicContact CG1-CG2 4.24Å; V134-I167 HydrophobicContact CG2-CD1 4.13Å; V134-I167 HydrophobicContact CG2-CG1 4.41Å; V134-I167 HydrophobicContact CG2-CG2 4.41Å; V134-V170 HydrophobicContact CG1-CG1 4.2Å; V134-L171 HydrophobicContact CG1-CD2 4.21Å
135K98.3Very high96.7Very high57 Ų5747 Ų4725%0.24824%0.243CC..Hα-helixtrans-54.6-41.8176.4-74.7174.4-174.31650112.2T131 E132 V133 R139 V170T131-K135 HydrophobicContact CG2-CD 4.46Å; T131-K135 WeakPolarHBondContact O-CG 3.45Å; T131-K135 PolarHBondContact O-N 3.11Å; E132-K135 WeakPolarHBondContact OE1-CD 3.38Å; E132-K135 IonicContact OE1-NZ 3.92Å; E132-K135 PolarHBondContact OE1-NZ 3.13Å; V133-K135 PolarHBondContact O-N 3.09Å; K135-R139 WeakPolarHBondContact O-CB 3.47Å; K135-R139 WeakPolarHBondContact O-CD 3.33Å; K135-R139 WeakPolarHBondContact O-CG 3.37Å; K135-R139 PolarHBondContact O-N 3.26Å; K135-V170 HydrophobicContact CD-CG2 4.21Å; K135-V170 HydrophobicContact CG-CB 4.44Å; K135-V170 HydrophobicContact CG-CG1 3.99Å; K135-V170 HydrophobicContact CG-CG2 3.55Å
136L98.3Very high96.2Very high10 Ų1050.4 Ų50.45%0.05226%0.256CS..Hα-helixtrans-66.2-47.4178.2176.663.6000111.7L98 V101 R102 L105 E132 V133 V134 R139 K140L98-L136 HydrophobicContact CD1-CB 3.94Å; L98-L136 HydrophobicContact CD1-CD2 3.68Å; L98-L136 HydrophobicContact CD1-CG 4.43Å; V101-L136 HydrophobicContact CB-CD2 4.3Å; V101-L136 HydrophobicContact CG1-CD2 3.91Å; R102-L136 HydrophobicContact CB-CD2 3.91Å; R102-L136 HydrophobicContact CG-CD2 4.48Å; L105-L136 HydrophobicContact CD1-CD2 4.19Å; L105-L136 HydrophobicContact CD1-CG 4.14Å; E132-L136 PolarHBondContact O-N 3.14Å; E132-L136 VanDerWaalsContact O-N 3.11Å; V133-L136 WeakPolarHBondContact O-CB 3.42Å; V133-L136 PolarHBondContact O-N 2.84Å; V133-L136 VanDerWaalsContact O-N 3.12Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 PolarHBondContact O-N 3.13Å; L136-R139 PolarHBondContact O-N 3.41Å; L136-K140 HydrophobicContact CD1-CG 4.25Å; L136-K140 WeakPolarHBondContact O-CB 3.48Å; L136-K140 VanDerWaalsContact O-CG 3.26Å; L136-K140 WeakPolarHBondContact O-CG 3.23Å; L136-K140 PolarHBondContact O-N 3.35Å; L136-K140 VanDerWaalsContact O-N 3.15Å
137L97.6Very high95.8Very high0 Ų054.6 Ų54.60%028%0.278CS..Hα-helixtrans-65.9-44.6-177.4-70.1173.4000111.7A93 V101 L105 L111 P121 L122 A125 V133 V134 K140 G141 A142A93-L137 HydrophobicContact CB-CD1 4.26Å; V101-L137 HydrophobicContact CG1-CD2 3.98Å; V101-L137 HydrophobicContact CG1-CG 4.44Å; L105-L137 HydrophobicContact CD1-CD2 4.1Å; L105-L137 HydrophobicContact CD2-CD2 4.47Å; L111-L137 HydrophobicContact CB-CD2 4.34Å; P121-L137 HydrophobicContact CB-CD1 4.2Å; L122-L137 HydrophobicContact CB-CD1 4.29Å; L122-L137 HydrophobicContact CD1-CB 3.95Å; L122-L137 HydrophobicContact CD1-CD1 4.4Å; A125-L137 HydrophobicContact CB-CD1 4.41Å; V133-L137 HydrophobicContact CG1-CD1 3.74Å; V133-L137 HydrophobicContact CG1-CG 4.2Å; V133-L137 WeakPolarHBondContact O-CG 3.39Å; V133-L137 PolarHBondContact O-N 3.48Å; V134-L137 PolarHBondContact O-N 3.13Å; V134-L137 VanDerWaalsContact O-N 3.15Å; L137-K140 CarbonylContact O-C 3.34Å; L137-K140 PolarHBondContact O-N 2.92Å; L137-G141 PolarHBondContact O-N 3.23Å; L137-A142 HydrophobicContact CB-CB 4.16Å; L137-A142 WeakPolarHBondContact O-CB 3.4Å; L137-A142 PolarHBondContact O-N 3.23Å; L137-A142 VanDerWaalsContact O-N 3.12Å
138V97.1Very high95.1Very high25 Ų2552.3 Ų52.315%0.15227%0.265CS..Hα-helixtrans-58.8-49.6174.9171.80000110.9L122 V134 K140 G141 V144 V170 L171 V174L122-V138 HydrophobicContact CD1-CG2 3.96Å; V134-V138 HydrophobicContact CG1-CG2 4.08Å; V134-V138 WeakPolarHBondContact O-CB 3.45Å; V134-V138 WeakPolarHBondContact O-CG2 3.15Å; V134-V138 PolarHBondContact O-N 3.3Å; V138-K140 PolarHBondContact O-N 3.06Å; V138-K140 VanDerWaalsContact O-N 3.07Å; V138-G141 PolarHBondContact O-N 3.36Å; V138-V144 HydrophobicContact CG2-CG1 4.03Å; V138-V170 HydrophobicContact CG2-CG1 4.4Å; V138-L171 HydrophobicContact CG2-CD2 4Å; V138-V174 HydrophobicContact CG1-CB 4.45Å; V138-V174 HydrophobicContact CG1-CG1 4.19Å; V138-V174 HydrophobicContact CG1-CG2 3.9Å
139R97.1Very high94.2Very high182 Ų18250.6 Ų50.669%0.68726%0.258SS*.Hα-helixtrans-60.2-21.4176.5-73.5174.2-163.6148.71.1113.7K135 L136K135-R139 WeakPolarHBondContact O-CB 3.47Å; K135-R139 WeakPolarHBondContact O-CD 3.33Å; K135-R139 WeakPolarHBondContact O-CG 3.37Å; K135-R139 PolarHBondContact O-N 3.26Å; L136-R139 PolarHBondContact O-N 3.41Å
140K96.8Very high93.5Very high131 Ų13154.2 Ų54.257%0.5729%0.285SS*.THydrogen-bonded Turntrans-95.55.4179.4-70.7-70.4-180-172.60113.4L105 L111 L136 L137 V138L105-K140 HydrophobicContact CD1-CB 4.39Å; L105-K140 HydrophobicContact CD1-CG 4.09Å; L111-K140 HydrophobicContact CD2-CB 4.17Å; L136-K140 HydrophobicContact CD1-CG 4.25Å; L136-K140 WeakPolarHBondContact O-CB 3.48Å; L136-K140 VanDerWaalsContact O-CG 3.26Å; L136-K140 WeakPolarHBondContact O-CG 3.23Å; L136-K140 PolarHBondContact O-N 3.35Å; L136-K140 VanDerWaalsContact O-N 3.15Å; L137-K140 CarbonylContact O-C 3.34Å; L137-K140 PolarHBondContact O-N 2.92Å; V138-K140 PolarHBondContact O-N 3.06Å; V138-K140 VanDerWaalsContact O-N 3.07Å
141G93.7Very high92.9Very high52 Ų5254 Ų5454%0.53629%0.289SS..THydrogen-bonded Turntrans8632174.400000113.9L137 V138L137-G141 PolarHBondContact O-N 3.23Å; V138-G141 PolarHBondContact O-N 3.36Å
142A94.7Very high92.5Very high10 Ų1054.6 Ų54.68%0.08329%0.294CS..  trans-58142.2167.800000111.7L111 L122 L137 V144L111-A142 HydrophobicContact CD1-CB 3.76Å; L122-A142 HydrophobicContact CB-CB 4.17Å; L122-A142 HydrophobicContact CD2-CB 3.88Å; L122-A142 HydrophobicContact CG-CB 4.42Å; L137-A142 HydrophobicContact CB-CB 4.16Å; L137-A142 WeakPolarHBondContact O-CB 3.4Å; L137-A142 PolarHBondContact O-N 3.23Å; L137-A142 VanDerWaalsContact O-N 3.12Å; A142-V144 WeakPolarHBondContact O-CG1 3.23Å; A142-V144 PolarHBondContact O-N 3.4Å
143Q93.3Very high92.2Very high89 Ų8952 Ų5242%0.41628%0.281SS..  trans-73.795.3177-68.5179.821.200109.7N112 R146N112-Q143 WeakPolarHBondContact OD1-CB 3.3Å; N112-Q143 WeakPolarHBondContact OD1-CG 3.43Å; N112-Q143 PolarHBondContact OD1-N 3.03Å; Q143-R146 HydrophobicContact CB-CB 4.34Å
144V91.6Very high92Very high17 Ų1752.2 Ų52.210%0.10328%0.282CS..THydrogen-bonded Turntrans-76.6-25.4-171.4-59.80000114.8L122 V138 A142 V174L122-V144 HydrophobicContact CD2-CB 4.34Å; L122-V144 HydrophobicContact CD2-CG1 3.9Å; V138-V144 HydrophobicContact CG2-CG1 4.03Å; A142-V144 WeakPolarHBondContact O-CG1 3.23Å; A142-V144 PolarHBondContact O-N 3.4Å; V144-V174 HydrophobicContact CG1-CG2 4.26Å; V144-V174 HydrophobicContact CG2-CG2 4.45Å; V144-V174 WeakPolarHBondContact CG2-O 3.25Å
145N90.9Very high91.9Very high85 Ų8552.2 Ų52.246%0.45528%0.282SS..THydrogen-bonded Turntrans-97.813.1-177.9-65.4-33.5000113.3C175 N176N145-C175 VanDerWaalsContact OD1-CA 3.27Å; N145-C175 WeakPolarHBondContact OD1-CA 3.05Å; N145-N176 PolarHBondContact OD1-N 3.12Å
146R88.6Confident91.8Very high71 Ų7149.6 Ų49.627%0.26827%0.27SS..  trans-73.4147.6178.4-171.7-177.2-81.2-155.4-3.7109.7N112 L114 Q143 H148N112-R146 PolarHBondContact O-NH1 2.98Å; L114-R146 VanDerWaalsContact CD1-NH1 3.34Å; L114-R146 VanDerWaalsContact CD2-NH1 3.3Å; Q143-R146 HydrophobicContact CB-CB 4.34Å; R146-H148 PolarHBondContact O-CD2 2.72Å; R146-H148 PolarHBondContact O-NE2 3.44Å
147I88.7Confident91.8Very high88 Ų8849.1 Ų49.145%0.45127%0.268SS..  trans-81.8133.7171.4-69.5169.1000109.3T149 C152I147-T149 WeakPolarHBondContact CG2-O 3.41Å; I147-C152 HydrophobicContact CD1-CB 4.19Å; I147-C152 HydrophobicContact CG2-CB 4.4Å
148H82.2Confident91.7Very high5 Ų549.7 Ų49.72%0.02327%0.27CS..  trans-124.4-4.3-172.8-66-62.7000114.7L118 C120 Y123 R146 W153L118-H148 PolarHBondContact O-ND1 3.05Å; C120-H148 PolarHBondContact SG-CE1 3.11Å; Y123-H148 HydrophobicContact CD1-CB 4.12Å; Y123-H148 HydrophobicContact CD2-CB 3.37Å; Y123-H148 AromaticContact CD2-CD2 3.38Å; Y123-H148 WeakPolarHBondContact CD2-CD2 3.42Å; Y123-H148 AromaticContact CD2-CG 3.46Å; Y123-H148 VanDerWaalsContact CD2-CG 3.46Å; Y123-H148 HydrophobicContact CE1-CB 4.31Å; Y123-H148 HydrophobicContact CE2-CB 3.58Å; Y123-H148 HydrophobicContact CG-CB 3.64Å; Y123-H148 AromaticContact CG-CD2 3.9Å; Y123-H148 AromaticContact CG-CG 3.67Å; R146-H148 PolarHBondContact O-CD2 2.72Å; R146-H148 PolarHBondContact O-NE2 3.44Å; H148-W153 PolarHBondContact N-O 3.39Å
149T79.9Confident91.8Very high36 Ų3648.5 Ų48.522%0.22126%0.263CS..SBendtrans-133.7162.5179.168.90000110.3Y123 I147 S151 C152 W153Y123-T149 VanDerWaalsContact OH-CG2 3.27Å; Y123-T149 WeakPolarHBondContact OH-CG2 3.23Å; I147-T149 WeakPolarHBondContact CG2-O 3.41Å; T149-S151 PolarHBondContact O-N 3.43Å; T149-S151 PolarHBondContact OG1-N 3.46Å; T149-C152 PolarHBondContact O-N 2.91Å; T149-C152 VanDerWaalsContact O-N 3.08Å; T149-W153 HydrophobicContact CG2-CB 4.11Å; T149-W153 VanDerWaalsContact OG1-CB 3.3Å; T149-W153 WeakPolarHBondContact OG1-CB 3.29Å; T149-W153 PolarHBondContact OG1-N 3.28Å
150A82.6Confident91.8Very high101 Ų10139.8 Ų39.884%0.83523%0.23SC*.THydrogen-bonded Turntrans-59.4-31172.700000112.2C152A150-C152 PolarHBondContact O-N 3.4Å
151S85Confident91.8Very high51 Ų5137.6 Ų37.636%0.35722%0.219SC..THydrogen-bonded Turntrans-78.818.4174.8-500000113.4T149 W153 D181 D182T149-S151 PolarHBondContact O-N 3.43Å; T149-S151 PolarHBondContact OG1-N 3.46Å; S151-W153 VanDerWaalsContact C-N 3.28Å; S151-W153 VanDerWaalsContact O-CD1 3.24Å; S151-W153 PolarHBondContact O-N 2.89Å; S151-D181 VanDerWaalsContact O-CB 3.29Å; S151-D181 WeakPolarHBondContact O-CB 3.48Å; S151-D182 PolarHBondContact O-N 2.92Å
152C89.5Confident92Very high40 Ų4039.4 Ų39.427%0.2721%0.212SC..  trans63.420.7177.9-63.60000116.4I147 T149 A150I147-C152 HydrophobicContact CD1-CB 4.19Å; I147-C152 HydrophobicContact CG2-CB 4.4Å; T149-C152 PolarHBondContact O-N 2.91Å; T149-C152 VanDerWaalsContact O-N 3.08Å; A150-C152 PolarHBondContact O-N 3.4Å
153W92.7Very high92.1Very high41 Ų4140 Ų4016%0.15522%0.219CC..  trans-74136.6-176.9-72.111.4000113.4H148 T149 S151 H157 Q158 Y161 D181 L190H148-W153 PolarHBondContact N-O 3.39Å; T149-W153 HydrophobicContact CG2-CB 4.11Å; T149-W153 VanDerWaalsContact OG1-CB 3.3Å; T149-W153 WeakPolarHBondContact OG1-CB 3.29Å; T149-W153 PolarHBondContact OG1-N 3.28Å; S151-W153 VanDerWaalsContact C-N 3.28Å; S151-W153 VanDerWaalsContact O-CD1 3.24Å; S151-W153 PolarHBondContact O-N 2.89Å; W153-H157 HydrophobicContact CB-CB 4.08Å; W153-H157 HydrophobicContact CD2-CB 4.26Å; W153-H157 HydrophobicContact CG-CB 4.08Å; W153-Q158 VanDerWaalsContact CZ3-OE1 3.25Å; W153-Y161 HydrophobicContact CH2-CD1 4.28Å; W153-Y161 AromaticContact CH2-CD2 3.85Å; W153-Y161 HydrophobicContact CH2-CD2 3.85Å; W153-Y161 HydrophobicContact CH2-CE2 4.29Å; W153-Y161 AromaticContact CH2-CG 3.84Å; W153-Y161 HydrophobicContact CH2-CG 3.84Å; W153-Y161 HydrophobicContact CZ3-CD1 4.02Å; W153-Y161 HydrophobicContact CZ3-CD2 4.36Å; W153-Y161 AromaticContact CZ3-CG 3.87Å; W153-Y161 HydrophobicContact CZ3-CG 3.87Å; W153-D181 PolarHBondContact NE1-OD2 2.83Å; W153-L190 HydrophobicContact CZ2-CD2 4.48Å
154T94.8Very high92.4Very high6 Ų638.3 Ų38.34%0.03721%0.211CC..  trans-90.4172.7169.3690000111.8L156 H157 Q158 A179T154-L156 PolarHBondContact O-N 2.78Å; T154-L156 PolarHBondContact OG1-N 3.15Å; T154-H157 PolarHBondContact O-N 3.39Å; T154-H157 PolarHBondContact OG1-N 3.17Å; T154-H157 PolarHBondContact OG1-ND1 3.47Å; T154-Q158 PolarHBondContact O-N 3.01Å; T154-A179 HydrophobicContact CG2-CB 3.81Å
155C95.9Very high92.7Very high0 Ų042.4 Ų42.40%023%0.225CC..Hα-helixtrans-56-34.3168.3-73.20000113.7V126 Q158 A159 L171V126-C155 WeakPolarHBondContact CG1-O 3.08Å; V126-C155 HydrophobicContact CG2-CB 4.13Å; C155-Q158 PolarHBondContact O-N 3.22Å; C155-A159 WeakPolarHBondContact O-CB 3.32Å; C155-A159 PolarHBondContact O-N 2.88Å; C155-L171 HydrophobicContact CB-CD1 4.03Å
156L97.5Very high93Very high1 Ų142 Ų421%0.00522%0.223CC..Hα-helixtrans-68.4-44.4-179.8-175.357.7000111.6T154 Q158 A159 V160 V168 L171 V172 C175 L177 P187 L203T154-L156 PolarHBondContact O-N 2.78Å; T154-L156 PolarHBondContact OG1-N 3.15Å; L156-Q158 PolarHBondContact O-N 3.2Å; L156-A159 PolarHBondContact O-N 3.04Å; L156-V160 HydrophobicContact CD1-CG2 4.38Å; L156-V160 VanDerWaalsContact O-CG2 3.29Å; L156-V160 WeakPolarHBondContact O-CG2 3.26Å; L156-V160 PolarHBondContact O-N 2.88Å; L156-V168 HydrophobicContact CD1-CG1 4.28Å; L156-L171 HydrophobicContact CD1-CB 4.04Å; L156-V172 HydrophobicContact CD1-CG1 4.43Å; L156-C175 HydrophobicContact CB-CB 4.43Å; L156-C175 HydrophobicContact CD2-CB 4.12Å; L156-L177 HydrophobicContact CD2-CD2 3.86Å; L156-P187 HydrophobicContact CB-CG 4.39Å; L156-P187 HydrophobicContact CD2-CB 4.08Å; L156-P187 HydrophobicContact CD2-CG 3.82Å; L156-P187 HydrophobicContact CG-CB 3.9Å; L156-P187 HydrophobicContact CG-CG 3.88Å; L156-L203 HydrophobicContact CD1-CD2 4.26Å; L156-L203 HydrophobicContact CD2-CD2 4.08Å; L156-L203 HydrophobicContact CG-CD2 4.44Å
157H97Very high93.5Very high0 Ų038.7 Ų38.70%021%0.21CC..Hα-helixtrans-53.7-52.3172.3-71.480.3000111.3W153 T154 A159 V160 Y161 A179 I185 L190W153-H157 HydrophobicContact CB-CB 4.08Å; W153-H157 HydrophobicContact CD2-CB 4.26Å; W153-H157 HydrophobicContact CG-CB 4.08Å; T154-H157 PolarHBondContact O-N 3.39Å; T154-H157 PolarHBondContact OG1-N 3.17Å; T154-H157 PolarHBondContact OG1-ND1 3.47Å; H157-A159 PolarHBondContact O-N 3.38Å; H157-V160 PolarHBondContact O-N 3.49Å; H157-Y161 WeakPolarHBondContact O-CB 3.4Å; H157-Y161 PolarHBondContact O-N 3.02Å; H157-A179 PolarHBondContact CE1-O 3.42Å; H157-A179 VanDerWaalsContact CE1-O 3.28Å; H157-I185 PolarHBondContact NE2-O 2.9Å; H157-I185 VanDerWaalsContact NE2-O 3.08Å; H157-L190 HydrophobicContact CB-CD1 3.9Å; H157-L190 VanDerWaalsContact CD2-CD1 3.46Å; H157-L190 WeakPolarHBondContact CD2-CD1 3.35Å
158Q96.7Very high93.9Very high12 Ų1234.5 Ų34.56%0.05619%0.189CC..Hα-helixtrans-61.7-43.4-179.2-170.963.515.200112.5Y123 V126 D127 W153 T154 C155 L156 V160 Y161 K162Y123-Q158 HydrophobicContact CE2-CB 3.73Å; Y123-Q158 HydrophobicContact CE2-CG 4.03Å; Y123-Q158 PolarHBondContact OH-OE1 2.99Å; Y123-Q158 VanDerWaalsContact OH-OE1 3.13Å; V126-Q158 HydrophobicContact CG1-CB 4.06Å; V126-Q158 HydrophobicContact CG1-CG 4.18Å; D127-Q158 HydrophobicContact CB-CG 4.2Å; D127-Q158 PolarHBondContact OD1-NE2 3.04Å; W153-Q158 VanDerWaalsContact CZ3-OE1 3.25Å; T154-Q158 PolarHBondContact O-N 3.01Å; C155-Q158 PolarHBondContact O-N 3.22Å; L156-Q158 PolarHBondContact O-N 3.2Å; Q158-V160 VanDerWaalsContact C-N 3.31Å; Q158-V160 PolarHBondContact O-N 3Å; Q158-Y161 PolarHBondContact O-N 3.21Å; Q158-K162 WeakPolarHBondContact O-CB 3.47Å; Q158-K162 WeakPolarHBondContact O-CG 3.38Å; Q158-K162 PolarHBondContact O-N 3.29Å
159A97.9Very high94.7Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-62-40.4178.700000112V126 C155 L156 H157 G163 H164 I167 V168 L171V126-A159 HydrophobicContact CG1-CB 3.81Å; C155-A159 WeakPolarHBondContact O-CB 3.32Å; C155-A159 PolarHBondContact O-N 2.88Å; L156-A159 PolarHBondContact O-N 3.04Å; H157-A159 PolarHBondContact O-N 3.38Å; A159-G163 PolarHBondContact O-N 3.46Å; A159-H164 PolarHBondContact O-N 3.4Å; A159-I167 HydrophobicContact CB-CB 4.29Å; A159-I167 HydrophobicContact CB-CG2 3.66Å; A159-V168 HydrophobicContact CB-CG2 3.78Å; A159-L171 HydrophobicContact CB-CD1 4.09Å
160V98.3Very high95.5Very high0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-68.3-50176.8170.90000110.9L156 H157 Q158 K162 G163 V168 P187 L190 A191 Q196 C199 L203L156-V160 HydrophobicContact CD1-CG2 4.38Å; L156-V160 VanDerWaalsContact O-CG2 3.29Å; L156-V160 WeakPolarHBondContact O-CG2 3.26Å; L156-V160 PolarHBondContact O-N 2.88Å; H157-V160 PolarHBondContact O-N 3.49Å; Q158-V160 VanDerWaalsContact C-N 3.31Å; Q158-V160 PolarHBondContact O-N 3Å; V160-K162 VanDerWaalsContact C-N 3.26Å; V160-K162 PolarHBondContact O-N 2.93Å; V160-G163 WeakPolarHBondContact O-CA 3.32Å; V160-G163 PolarHBondContact O-N 2.87Å; V160-V168 HydrophobicContact CG2-CG2 3.84Å; V160-P187 WeakPolarHBondContact CG1-O 3.37Å; V160-P187 HydrophobicContact CG2-CB 4.25Å; V160-L190 HydrophobicContact CG1-CB 4.04Å; V160-A191 HydrophobicContact CG1-CB 3.56Å; V160-Q196 WeakPolarHBondContact O-CG 3.19Å; V160-C199 HydrophobicContact CG1-CB 4.39Å; V160-C199 HydrophobicContact CG2-CB 4.36Å; V160-L203 HydrophobicContact CG2-CD1 3.95Å
161Y97.1Very high96.2Very high85 Ų8534.8 Ų34.833%0.33317%0.168SC..Hα-helixtrans-54-43.1178.8173.2-102.7000112.1W153 H157 Q158 G163 Y194W153-Y161 HydrophobicContact CH2-CD1 4.28Å; W153-Y161 AromaticContact CH2-CD2 3.85Å; W153-Y161 HydrophobicContact CH2-CD2 3.85Å; W153-Y161 HydrophobicContact CH2-CE2 4.29Å; W153-Y161 AromaticContact CH2-CG 3.84Å; W153-Y161 HydrophobicContact CH2-CG 3.84Å; W153-Y161 HydrophobicContact CZ3-CD1 4.02Å; W153-Y161 HydrophobicContact CZ3-CD2 4.36Å; W153-Y161 AromaticContact CZ3-CG 3.87Å; W153-Y161 HydrophobicContact CZ3-CG 3.87Å; H157-Y161 WeakPolarHBondContact O-CB 3.4Å; H157-Y161 PolarHBondContact O-N 3.02Å; Q158-Y161 PolarHBondContact O-N 3.21Å; Y161-G163 VanDerWaalsContact C-N 3.27Å; Y161-G163 PolarHBondContact O-N 3.27Å; Y161-Y194 AromaticContact CD2-CD2 3.93Å; Y161-Y194 HydrophobicContact CD2-CD2 3.93Å; Y161-Y194 HydrophobicContact CD2-CE1 4.28Å; Y161-Y194 AromaticContact CD2-CE2 3.55Å; Y161-Y194 HydrophobicContact CD2-CE2 3.55Å; Y161-Y194 HydrophobicContact CD2-CG 4.44Å; Y161-Y194 AromaticContact CD2-CZ 3.74Å; Y161-Y194 HydrophobicContact CE2-CD1 4.43Å; Y161-Y194 HydrophobicContact CE2-CD2 4.43Å; Y161-Y194 AromaticContact CE2-CE1 3.82Å; Y161-Y194 HydrophobicContact CE2-CE1 3.82Å; Y161-Y194 AromaticContact CE2-CE2 3.83Å; Y161-Y194 HydrophobicContact CE2-CE2 3.83Å; Y161-Y194 AromaticContact CE2-CZ 3.48Å; Y161-Y194 VanDerWaalsContact CE2-CZ 3.48Å
162K97.1Very high96.8Very high89 Ų8933 Ų3339%0.38715%0.154SC..THydrogen-bonded Turntrans-78.1-4176.8-64.2-71.6-172.2168.60114.4D127 Q158 V160 H164D127-K162 WeakPolarHBondContact OD1-CE 3.46Å; D127-K162 IonicContact OD1-NZ 2.84Å; Q158-K162 WeakPolarHBondContact O-CB 3.47Å; Q158-K162 WeakPolarHBondContact O-CG 3.38Å; Q158-K162 PolarHBondContact O-N 3.29Å; V160-K162 VanDerWaalsContact C-N 3.26Å; V160-K162 PolarHBondContact O-N 2.93Å; K162-H164 VanDerWaalsContact C-N 3.25Å; K162-H164 PolarHBondContact O-N 3.31Å; K162-H164 PolarHBondContact O-ND1 3.45Å
163G97.3Very high96.9Very high23 Ų2337.7 Ų37.724%0.23718%0.177CC..THydrogen-bonded Turntrans66.423.7-176.800000114.1A159 V160 Y161 R165 Q196A159-G163 PolarHBondContact O-N 3.46Å; V160-G163 WeakPolarHBondContact O-CA 3.32Å; V160-G163 PolarHBondContact O-N 2.87Å; Y161-G163 VanDerWaalsContact C-N 3.27Å; Y161-G163 PolarHBondContact O-N 3.27Å; G163-R165 PolarHBondContact O-N 3.31Å; G163-Q196 VanDerWaalsContact CA-CD 3.48Å
164H98.3Very high97Very high53 Ų5338.8 Ų38.825%0.24519%0.188CC..  trans-79.368.2-177.6-66.4-14.9000111.6V126 G129 A159 K162 D166 I167 V168V126-H164 PolarHBondContact O-CD2 3.45Å; V126-H164 VanDerWaalsContact O-CD2 3.23Å; G129-H164 VanDerWaalsContact CA-CD2 3.48Å; G129-H164 WeakPolarHBondContact CA-CD2 3.45Å; G129-H164 WeakPolarHBondContact CA-NE2 3.05Å; G129-H164 PolarHBondContact N-NE2 2.91Å; A159-H164 PolarHBondContact O-N 3.4Å; K162-H164 VanDerWaalsContact C-N 3.25Å; K162-H164 PolarHBondContact O-N 3.31Å; K162-H164 PolarHBondContact O-ND1 3.45Å; H164-D166 VanDerWaalsContact C-N 3.25Å; H164-D166 PolarHBondContact O-N 2.69Å; H164-D166 VanDerWaalsContact O-N 3.11Å; H164-I167 HydrophobicContact CB-CB 3.99Å; H164-I167 HydrophobicContact CB-CD1 3.98Å; H164-I167 HydrophobicContact CB-CG1 4.18Å; H164-I167 WeakPolarHBondContact O-CA 3.45Å; H164-I167 WeakPolarHBondContact O-CB 3.49Å; H164-I167 PolarHBondContact O-N 2.95Å; H164-V168 PolarHBondContact O-N 3.19Å
165R97.9Very high97Very high103 Ų10339.2 Ų39.239%0.38919%0.191SC..Hα-helixtrans-49.8-39.7-175.8-176.1-163.167.7138.92.1114.3G163 I167 V168 R169 E198 L202G163-R165 PolarHBondContact O-N 3.31Å; R165-I167 VanDerWaalsContact C-N 3.3Å; R165-I167 PolarHBondContact O-N 3.35Å; R165-V168 PolarHBondContact O-N 2.91Å; R165-R169 WeakPolarHBondContact O-CB 3.49Å; R165-R169 PolarHBondContact O-N 3.17Å; R165-E198 HydrophobicContact CB-CB 4.44Å; R165-E198 HydrophobicContact CG-CB 3.75Å; R165-L202 HydrophobicContact CG-CD1 3.51Å; R165-L202 WeakPolarHBondContact O-CD1 3.33Å
166D98.3Very high96.9Very high78 Ų7842.9 Ų42.942%0.41721%0.21SC..Hα-helixtrans-71.5-27.3-179.7-64.2-18000112.4T131 H164 V170T131-D166 HydrophobicContact CG2-CB 4.02Å; H164-D166 VanDerWaalsContact C-N 3.25Å; H164-D166 PolarHBondContact O-N 2.69Å; H164-D166 VanDerWaalsContact O-N 3.11Å; D166-V170 WeakPolarHBondContact O-CG2 3.43Å
167I98.6Very high96.9Very high0 Ų043.8 Ų43.80%022%0.215CC..Hα-helixtrans-75.8-45.3171.2-66.3-178.9000109.8V126 T131 V134 A159 H164 R165 R169 V170 L171V126-I167 HydrophobicContact CG1-CG2 4.21Å; V126-I167 HydrophobicContact CG2-CG2 3.94Å; T131-I167 HydrophobicContact CG2-CG1 4.42Å; V134-I167 HydrophobicContact CG1-CG2 4.24Å; V134-I167 HydrophobicContact CG2-CD1 4.13Å; V134-I167 HydrophobicContact CG2-CG1 4.41Å; V134-I167 HydrophobicContact CG2-CG2 4.41Å; A159-I167 HydrophobicContact CB-CB 4.29Å; A159-I167 HydrophobicContact CB-CG2 3.66Å; H164-I167 HydrophobicContact CB-CB 3.99Å; H164-I167 HydrophobicContact CB-CD1 3.98Å; H164-I167 HydrophobicContact CB-CG1 4.18Å; H164-I167 WeakPolarHBondContact O-CA 3.45Å; H164-I167 WeakPolarHBondContact O-CB 3.49Å; H164-I167 PolarHBondContact O-N 2.95Å; R165-I167 VanDerWaalsContact C-N 3.3Å; R165-I167 PolarHBondContact O-N 3.35Å; I167-R169 VanDerWaalsContact C-N 3.25Å; I167-R169 PolarHBondContact O-N 3.17Å; I167-V170 WeakPolarHBondContact O-CA 3.24Å; I167-V170 WeakPolarHBondContact O-CB 3.42Å; I167-V170 PolarHBondContact O-N 3.48Å; I167-L171 HydrophobicContact CG2-CD1 3.74Å; I167-L171 HydrophobicContact CG2-CG 4.15Å; I167-L171 WeakPolarHBondContact O-CG 3.49Å; I167-L171 PolarHBondContact O-N 3.17Å
168V98.4Very high96.8Very high0 Ų046.1 Ų46.10%023%0.226CC..Hα-helixtrans-53.1-46.9174174.90000109.9L156 A159 V160 H164 R165 V170 L171 V172 C199 L202L156-V168 HydrophobicContact CD1-CG1 4.28Å; A159-V168 HydrophobicContact CB-CG2 3.78Å; V160-V168 HydrophobicContact CG2-CG2 3.84Å; H164-V168 PolarHBondContact O-N 3.19Å; R165-V168 PolarHBondContact O-N 2.91Å; V168-V170 PolarHBondContact O-N 3.31Å; V168-V170 VanDerWaalsContact O-N 3.14Å; V168-L171 PolarHBondContact O-N 2.89Å; V168-V172 HydrophobicContact CG1-CG1 3.72Å; V168-V172 WeakPolarHBondContact O-CG1 3.33Å; V168-V172 WeakPolarHBondContact O-CG2 3.36Å; V168-V172 PolarHBondContact O-N 3.09Å; V168-C199 HydrophobicContact CG2-CB 4.32Å; V168-L202 HydrophobicContact CB-CD1 4.29Å; V168-L202 HydrophobicContact CG1-CB 4.11Å; V168-L202 HydrophobicContact CG1-CD1 4.11Å
169R98.1Very high96.7Very high120 Ų12046 Ų4645%0.45323%0.227SC..Hα-helixtrans-55.7-32.5175.7-170.1-175.7-57.8-87.7-5114R165 I167 L202R165-R169 WeakPolarHBondContact O-CB 3.49Å; R165-R169 PolarHBondContact O-N 3.17Å; I167-R169 VanDerWaalsContact C-N 3.25Å; I167-R169 PolarHBondContact O-N 3.17Å; R169-L202 HydrophobicContact CB-CD1 3.99Å; R169-L202 HydrophobicContact CG-CD2 4.46Å
170V97.4Very high96.5Very high29 Ų2950.3 Ų50.318%0.17625%0.247CC..Hα-helixtrans-79.3-32.9177.1173.70000111.4V134 K135 V138 D166 I167 V168V134-V170 HydrophobicContact CG1-CG1 4.2Å; K135-V170 HydrophobicContact CD-CG2 4.21Å; K135-V170 HydrophobicContact CG-CB 4.44Å; K135-V170 HydrophobicContact CG-CG1 3.99Å; K135-V170 HydrophobicContact CG-CG2 3.55Å; V138-V170 HydrophobicContact CG2-CG1 4.4Å; D166-V170 WeakPolarHBondContact O-CG2 3.43Å; I167-V170 WeakPolarHBondContact O-CA 3.24Å; I167-V170 WeakPolarHBondContact O-CB 3.42Å; I167-V170 PolarHBondContact O-N 3.48Å; V168-V170 PolarHBondContact O-N 3.31Å; V168-V170 VanDerWaalsContact O-N 3.14Å
171L97.2Very high96.3Very high0 Ų051.1 Ų51.10%025%0.252CS..Hα-helixtrans-86.3-31.9-173.9-67.1-178.2000113.5V126 V134 V138 C155 L156 A159 I167 V168 D173 V174 C175V126-L171 HydrophobicContact CG2-CD1 4.3Å; V134-L171 HydrophobicContact CG1-CD2 4.21Å; V138-L171 HydrophobicContact CG2-CD2 4Å; C155-L171 HydrophobicContact CB-CD1 4.03Å; L156-L171 HydrophobicContact CD1-CB 4.04Å; A159-L171 HydrophobicContact CB-CD1 4.09Å; I167-L171 HydrophobicContact CG2-CD1 3.74Å; I167-L171 HydrophobicContact CG2-CG 4.15Å; I167-L171 WeakPolarHBondContact O-CG 3.49Å; I167-L171 PolarHBondContact O-N 3.17Å; V168-L171 PolarHBondContact O-N 2.89Å; L171-D173 PolarHBondContact O-N 3.19Å; L171-V174 WeakPolarHBondContact O-CG2 3.31Å; L171-V174 PolarHBondContact O-N 3.34Å; L171-C175 VanDerWaalsContact O-CB 3.28Å; L171-C175 WeakPolarHBondContact O-CB 3.47Å; L171-C175 PolarHBondContact O-N 3.4Å; L171-C175 PolarHBondContact O-SG 3.43Å; L171-C175 VanDerWaalsContact O-SG 3.39Å
172V96.4Very high96.1Very high13 Ų1351.1 Ų51.18%0.07926%0.257CS..THydrogen-bonded Turntrans-59-31.1-174.9-72.10000114.1L156 V168 V174 L177 L203 A206L156-V172 HydrophobicContact CD1-CG1 4.43Å; V168-V172 HydrophobicContact CG1-CG1 3.72Å; V168-V172 WeakPolarHBondContact O-CG1 3.33Å; V168-V172 WeakPolarHBondContact O-CG2 3.36Å; V168-V172 PolarHBondContact O-N 3.09Å; V172-V174 VanDerWaalsContact C-N 3.33Å; V172-L177 HydrophobicContact CB-CD2 4.06Å; V172-L177 HydrophobicContact CG1-CD2 4.05Å; V172-L203 HydrophobicContact CG1-CD2 3.93Å; V172-A206 HydrophobicContact CB-CB 3.79Å; V172-A206 HydrophobicContact CG1-CB 4.32Å; V172-A206 HydrophobicContact CG2-CB 4.25Å
173D92.4Very high95.9Very high138 Ų13851.1 Ų51.174%0.73826%0.259SS*.THydrogen-bonded Turntrans-82.4-10-179.5-64-28.2000113.6L171L171-D173 PolarHBondContact O-N 3.19Å
174V94.7Very high95.8Very high65 Ų6555.2 Ų55.239%0.39427%0.271SS..THydrogen-bonded Turntrans-127.7-18.1-170.8-61.50000113.9V138 V144 L171 V172V138-V174 HydrophobicContact CG1-CB 4.45Å; V138-V174 HydrophobicContact CG1-CG1 4.19Å; V138-V174 HydrophobicContact CG1-CG2 3.9Å; V144-V174 HydrophobicContact CG1-CG2 4.26Å; V144-V174 HydrophobicContact CG2-CG2 4.45Å; V144-V174 WeakPolarHBondContact CG2-O 3.25Å; L171-V174 WeakPolarHBondContact O-CG2 3.31Å; L171-V174 PolarHBondContact O-N 3.34Å; V172-V174 VanDerWaalsContact C-N 3.33Å
175C94.2Very high95.7Very high15 Ų1553.6 Ų53.610%0.10127%0.265CS..SBendtrans-96.1161.5-179.1-67.90000112.3N145 L156 L171 L177N145-C175 VanDerWaalsContact OD1-CA 3.27Å; N145-C175 WeakPolarHBondContact OD1-CA 3.05Å; L156-C175 HydrophobicContact CB-CB 4.43Å; L156-C175 HydrophobicContact CD2-CB 4.12Å; L171-C175 VanDerWaalsContact O-CB 3.28Å; L171-C175 WeakPolarHBondContact O-CB 3.47Å; L171-C175 PolarHBondContact O-N 3.4Å; L171-C175 PolarHBondContact O-SG 3.43Å; L171-C175 VanDerWaalsContact O-SG 3.39Å; C175-L177 PolarHBondContact O-N 3.1Å
176N95Very high95.7Very high76 Ų7648.8 Ų48.841%0.40625%0.246SC..  trans-72.1112.8162.7-179.719.8000109.2N145 E178 A179N145-N176 PolarHBondContact OD1-N 3.12Å; N176-E178 PolarHBondContact ND2-O 3.27Å; N176-E178 PolarHBondContact O-N 3.16Å; N176-E178 PolarHBondContact OD1-N 2.99Å; N176-A179 PolarHBondContact ND2-N 3.13Å; N176-A179 PolarHBondContact O-N 3.45Å
177L96.1Very high95.7Very high20 Ų2045 Ų4511%0.10523%0.226CC..THydrogen-bonded Turntrans-67.6-27.3176.7-57.6-178000112.3L156 V172 C175 A179 P187 L203 A206 A208L156-L177 HydrophobicContact CD2-CD2 3.86Å; V172-L177 HydrophobicContact CB-CD2 4.06Å; V172-L177 HydrophobicContact CG1-CD2 4.05Å; C175-L177 PolarHBondContact O-N 3.1Å; L177-A179 VanDerWaalsContact C-N 3.3Å; L177-A179 PolarHBondContact O-N 3.42Å; L177-P187 WeakPolarHBondContact O-CD 3.46Å; L177-L203 HydrophobicContact CD2-CD2 4.03Å; L177-A206 HydrophobicContact CD1-CB 3.7Å; L177-A206 VanDerWaalsContact CD1-O 3.31Å; L177-A206 WeakPolarHBondContact CD1-O 3.18Å; L177-A208 HydrophobicContact CB-CB 4.26Å; L177-A208 HydrophobicContact CD1-CB 4.28Å
178E96.2Very high95.7Very high49 Ų4945.1 Ų45.123%0.22923%0.227CC..THydrogen-bonded Turntrans-97.231.1179.7-48.4-55.414800111.2N176 H180 A208 T209 T212N176-E178 PolarHBondContact ND2-O 3.27Å; N176-E178 PolarHBondContact O-N 3.16Å; N176-E178 PolarHBondContact OD1-N 2.99Å; E178-H180 PolarHBondContact O-CD2 2.76Å; E178-H180 VanDerWaalsContact O-CD2 3.24Å; E178-A208 WeakPolarHBondContact OE1-CA 3.48Å; E178-T209 PolarHBondContact OE1-N 2.84Å; E178-T209 PolarHBondContact OE1-OG1 3.34Å; E178-T209 VanDerWaalsContact OE1-OG1 3.12Å; E178-T212 WeakPolarHBondContact OE2-CG2 3.19Å
179A94.8Very high95.7Very high10 Ų1045.5 Ų45.58%0.08323%0.228CC..  trans-67.1142.3169.800000108.8T154 H157 N176 L177 P187T154-A179 HydrophobicContact CG2-CB 3.81Å; H157-A179 PolarHBondContact CE1-O 3.42Å; H157-A179 VanDerWaalsContact CE1-O 3.28Å; N176-A179 PolarHBondContact ND2-N 3.13Å; N176-A179 PolarHBondContact O-N 3.45Å; L177-A179 VanDerWaalsContact C-N 3.3Å; L177-A179 PolarHBondContact O-N 3.42Å; A179-P187 VanDerWaalsContact O-CD 3.23Å; A179-P187 WeakPolarHBondContact O-CD 3.43Å
180H93.8Very high95.6Very high90 Ų9040 Ų4042%0.41721%0.208SC..  trans-119.8140.3-179.3-70-71.6000110.4E178 E184 I185E178-H180 PolarHBondContact O-CD2 2.76Å; E178-H180 VanDerWaalsContact O-CD2 3.24Å; H180-E184 PolarHBondContact ND1-O 2.93Å; H180-I185 WeakPolarHBondContact CA-O 3.39Å
181D92.6Very high95.7Very high18 Ų1838.6 Ų38.610%0.09620%0.199CC..  trans-80.5-171.8168.185.5-9.6000111.7S151 W153 H183 E184 I185S151-D181 VanDerWaalsContact O-CB 3.29Å; S151-D181 WeakPolarHBondContact O-CB 3.48Å; W153-D181 PolarHBondContact NE1-OD2 2.83Å; D181-H183 PolarHBondContact O-N 3.4Å; D181-H183 WeakPolarHBondContact OD1-CA 3.44Å; D181-H183 PolarHBondContact OD1-N 3.4Å; D181-E184 PolarHBondContact O-N 2.89Å; D181-E184 PolarHBondContact OD1-N 3.14Å; D181-I185 VanDerWaalsContact CG-CB 3.46Å; D181-I185 PolarHBondContact N-O 2.86Å; D181-I185 VanDerWaalsContact N-O 3.08Å; D181-I185 WeakPolarHBondContact OD1-CB 3.37Å; D181-I185 WeakPolarHBondContact OD1-CG1 3.37Å; D181-I185 PolarHBondContact OD1-N 2.95Å; D181-I185 WeakPolarHBondContact OD2-CB 3.08Å
182D92.6Very high95.8Very high84 Ų8438.6 Ų38.645%0.44920%0.199SC..THydrogen-bonded Turntrans-68.7-9.3-18062.2-22.7000114.7S151S151-D182 PolarHBondContact O-N 2.92Å
183H93.4Very high95.8Very high90 Ų9040 Ų4042%0.41721%0.205SC..THydrogen-bonded Turntrans-11216.8175.5-6182.9000112.3D181 I185 A215D181-H183 PolarHBondContact O-N 3.4Å; D181-H183 WeakPolarHBondContact OD1-CA 3.44Å; D181-H183 PolarHBondContact OD1-N 3.4Å; H183-I185 HydrophobicContact CB-CG1 3.85Å; H183-I185 PolarHBondContact O-N 3.12Å; H183-A215 WeakPolarHBondContact O-CB 3.25Å; H183-A215 PolarHBondContact O-N 3.12Å
184E95.4Very high96.1Very high108 Ų10837.3 Ų37.351%0.50519%0.185SC..  trans61.319.1-174.7-55179.9179.800113.9H180 D181 S186 A215H180-E184 PolarHBondContact ND1-O 2.93Å; D181-E184 PolarHBondContact O-N 2.89Å; D181-E184 PolarHBondContact OD1-N 3.14Å; E184-S186 PolarHBondContact O-N 2.8Å; E184-A215 HydrophobicContact CB-CB 4.29Å; E184-A215 HydrophobicContact CG-CB 4.15Å
185I96.5Very high96.2Very high20 Ų2035.3 Ų35.310%0.10318%0.178CC..  trans-73.5129.1179.4-55-73.4000109.1H157 H180 D181 H183 F189 L190 A214H157-I185 PolarHBondContact NE2-O 2.9Å; H157-I185 VanDerWaalsContact NE2-O 3.08Å; H180-I185 WeakPolarHBondContact CA-O 3.39Å; D181-I185 VanDerWaalsContact CG-CB 3.46Å; D181-I185 PolarHBondContact N-O 2.86Å; D181-I185 VanDerWaalsContact N-O 3.08Å; D181-I185 WeakPolarHBondContact OD1-CB 3.37Å; D181-I185 WeakPolarHBondContact OD1-CG1 3.37Å; D181-I185 PolarHBondContact OD1-N 2.95Å; D181-I185 WeakPolarHBondContact OD2-CB 3.08Å; H183-I185 HydrophobicContact CB-CG1 3.85Å; H183-I185 PolarHBondContact O-N 3.12Å; I185-F189 HydrophobicContact CD1-CD1 3.66Å; I185-F189 HydrophobicContact CD1-CD2 4.49Å; I185-F189 HydrophobicContact CD1-CE1 3.5Å; I185-F189 HydrophobicContact CD1-CE2 4.36Å; I185-F189 HydrophobicContact CD1-CG 4.16Å; I185-F189 HydrophobicContact CD1-CZ 3.87Å; I185-F189 HydrophobicContact CG2-CB 3.94Å; I185-F189 HydrophobicContact CG2-CD1 3.52Å; I185-F189 HydrophobicContact CG2-CE1 4.31Å; I185-F189 HydrophobicContact CG2-CG 3.96Å; I185-L190 HydrophobicContact CG2-CD2 4.06Å; I185-L190 HydrophobicContact CG2-CG 3.74Å; I185-A214 HydrophobicContact CD1-CB 3.53Å
186S97.4Very high96.4Very high1 Ų136.9 Ų36.91%0.00718%0.184CC..  trans-91.3160.2174.7720000111.8E184 L188 F189 L190 T212E184-S186 PolarHBondContact O-N 2.8Å; S186-L188 PolarHBondContact O-N 3.31Å; S186-L188 PolarHBondContact OG-N 3.24Å; S186-F189 WeakPolarHBondContact O-CB 3.43Å; S186-F189 PolarHBondContact O-N 3.49Å; S186-F189 VanDerWaalsContact O-N 3.08Å; S186-F189 PolarHBondContact OG-N 2.89Å; S186-F189 VanDerWaalsContact OG-N 3.12Å; S186-L190 PolarHBondContact O-N 3.2Å; S186-T212 PolarHBondContact OG-OG1 2.99Å
187P97.8Very high96.6Very high0 Ų037.3 Ų37.30%018%0.182CC..Hα-helixtrans-55.2-34.2170-26.133.1000113.1L156 V160 L177 A179 L190 A191 L203L156-P187 HydrophobicContact CB-CG 4.39Å; L156-P187 HydrophobicContact CD2-CB 4.08Å; L156-P187 HydrophobicContact CD2-CG 3.82Å; L156-P187 HydrophobicContact CG-CB 3.9Å; L156-P187 HydrophobicContact CG-CG 3.88Å; V160-P187 WeakPolarHBondContact CG1-O 3.37Å; V160-P187 HydrophobicContact CG2-CB 4.25Å; L177-P187 WeakPolarHBondContact O-CD 3.46Å; A179-P187 VanDerWaalsContact O-CD 3.23Å; A179-P187 WeakPolarHBondContact O-CD 3.43Å; P187-L190 PolarHBondContact O-N 3.29Å; P187-A191 PolarHBondContact O-N 3.3Å; P187-L203 HydrophobicContact CB-CD1 4.16Å; P187-L203 HydrophobicContact CB-CD2 4.21Å
188L98.5Very high96.7Very high1 Ų140.8 Ų40.81%0.00520%0.198CC..Hα-helixtrans-66.7-43176.5-170.777.2000111.3S186 A191 A192 L200 L203 I204 A208 T209 P220S186-L188 PolarHBondContact O-N 3.31Å; S186-L188 PolarHBondContact OG-N 3.24Å; L188-A191 PolarHBondContact O-N 2.94Å; L188-A192 PolarHBondContact O-N 3.46Å; L188-A192 VanDerWaalsContact O-N 3.07Å; L188-L200 HydrophobicContact CD1-CD1 3.46Å; L188-L200 VanDerWaalsContact CD1-CD1 3.46Å; L188-L200 HydrophobicContact CD1-CG 4.26Å; L188-L200 HydrophobicContact CG-CD1 3.91Å; L188-L200 WeakPolarHBondContact O-CD1 3.33Å; L188-L203 HydrophobicContact CB-CD1 4.46Å; L188-L203 HydrophobicContact CD1-CB 3.7Å; L188-L203 HydrophobicContact CD1-CD1 4.27Å; L188-I204 HydrophobicContact CD1-CD1 4.06Å; L188-I204 HydrophobicContact CD1-CG1 3.59Å; L188-A208 HydrophobicContact CB-CB 4.41Å; L188-A208 HydrophobicContact CD1-CB 4.26Å; L188-A208 HydrophobicContact CD2-CB 4.44Å; L188-T209 VanDerWaalsContact CD2-O 3.25Å; L188-T209 WeakPolarHBondContact CD2-O 3.28Å; L188-P220 HydrophobicContact CD2-CG 4.14Å; L188-P220 HydrophobicContact CG-CG 4.39Å
189F98.4Very high96.8Very high8 Ų838.5 Ų38.54%0.03519%0.187CC..Hα-helixtrans-59.8-47.6174.1-174.6-72.2000111.2I185 S186 A191 A192 Q193 A214 A218 P220 I223I185-F189 HydrophobicContact CD1-CD1 3.66Å; I185-F189 HydrophobicContact CD1-CD2 4.49Å; I185-F189 HydrophobicContact CD1-CE1 3.5Å; I185-F189 HydrophobicContact CD1-CE2 4.36Å; I185-F189 HydrophobicContact CD1-CG 4.16Å; I185-F189 HydrophobicContact CD1-CZ 3.87Å; I185-F189 HydrophobicContact CG2-CB 3.94Å; I185-F189 HydrophobicContact CG2-CD1 3.52Å; I185-F189 HydrophobicContact CG2-CE1 4.31Å; I185-F189 HydrophobicContact CG2-CG 3.96Å; S186-F189 WeakPolarHBondContact O-CB 3.43Å; S186-F189 PolarHBondContact O-N 3.49Å; S186-F189 VanDerWaalsContact O-N 3.08Å; S186-F189 PolarHBondContact OG-N 2.89Å; S186-F189 VanDerWaalsContact OG-N 3.12Å; F189-A191 VanDerWaalsContact C-N 3.31Å; F189-A191 PolarHBondContact O-N 3.08Å; F189-A192 WeakPolarHBondContact O-CB 3.14Å; F189-A192 PolarHBondContact O-N 3.43Å; F189-A192 VanDerWaalsContact O-N 3.1Å; F189-Q193 HydrophobicContact CD1-CB 4.41Å; F189-Q193 HydrophobicContact CE1-CB 4.31Å; F189-Q193 WeakPolarHBondContact O-CB 3.15Å; F189-Q193 PolarHBondContact O-N 3.11Å; F189-A214 HydrophobicContact CD2-CB 4.4Å; F189-A214 HydrophobicContact CE2-CB 4.08Å; F189-A218 HydrophobicContact CE2-CB 3.74Å; F189-A218 WeakPolarHBondContact CE2-O 3.38Å; F189-A218 HydrophobicContact CZ-CB 4.08Å; F189-P220 HydrophobicContact CB-CG 4.36Å; F189-I223 HydrophobicContact CD1-CG2 4.18Å; F189-I223 HydrophobicContact CD2-CG2 4.2Å; F189-I223 HydrophobicContact CE1-CB 4.1Å; F189-I223 HydrophobicContact CE1-CG1 3.91Å; F189-I223 HydrophobicContact CE1-CG2 3.89Å; F189-I223 HydrophobicContact CE2-CB 4.09Å; F189-I223 HydrophobicContact CE2-CG2 3.89Å; F189-I223 HydrophobicContact CG-CG2 4.34Å; F189-I223 HydrophobicContact CZ-CB 3.67Å; F189-I223 HydrophobicContact CZ-CD1 4.37Å; F189-I223 HydrophobicContact CZ-CG1 3.84Å; F189-I223 HydrophobicContact CZ-CG2 3.75Å
190L97.6Very high97Very high4 Ų438 Ų382%0.02118%0.183CC..Hα-helixtrans-58-42.7176.4-79174.9000112.2W153 H157 V160 I185 S186 P187 A192 Q193 Y194W153-L190 HydrophobicContact CZ2-CD2 4.48Å; H157-L190 HydrophobicContact CB-CD1 3.9Å; H157-L190 VanDerWaalsContact CD2-CD1 3.46Å; H157-L190 WeakPolarHBondContact CD2-CD1 3.35Å; V160-L190 HydrophobicContact CG1-CB 4.04Å; I185-L190 HydrophobicContact CG2-CD2 4.06Å; I185-L190 HydrophobicContact CG2-CG 3.74Å; S186-L190 PolarHBondContact O-N 3.2Å; P187-L190 PolarHBondContact O-N 3.29Å; L190-A192 VanDerWaalsContact C-N 3.25Å; L190-A192 PolarHBondContact O-N 3.13Å; L190-Q193 PolarHBondContact O-N 3.11Å; L190-Y194 HydrophobicContact CD2-CD2 4.15Å; L190-Y194 HydrophobicContact CD2-CE2 3.69Å; L190-Y194 WeakPolarHBondContact O-CD2 3.2Å; L190-Y194 PolarHBondContact O-N 3.15Å
191A98.4Very high97.2Very high0 Ų037.9 Ų37.90%018%0.183CC..Hα-helixtrans-61.5-38.5178.300000111.6V160 P187 L188 F189 G195 Q196 C199 L200 L203V160-A191 HydrophobicContact CG1-CB 3.56Å; P187-A191 PolarHBondContact O-N 3.3Å; L188-A191 PolarHBondContact O-N 2.94Å; F189-A191 VanDerWaalsContact C-N 3.31Å; F189-A191 PolarHBondContact O-N 3.08Å; A191-G195 PolarHBondContact O-N 3.07Å; A191-Q196 HydrophobicContact CB-CB 4.39Å; A191-Q196 PolarHBondContact O-N 3.21Å; A191-C199 HydrophobicContact CB-CB 4.44Å; A191-L200 HydrophobicContact CB-CB 3.86Å; A191-L200 HydrophobicContact CB-CD1 3.75Å; A191-L200 HydrophobicContact CB-CG 4.44Å; A191-L203 HydrophobicContact CB-CD1 4.1Å
192A98.6Very high97.5Very high0 Ų038.1 Ų38.10%018%0.184CC..Hα-helixtrans-69.3-43.5176.600000112.1L188 F189 L190 G195 L200 P220 I223 A224 H229 L236L188-A192 PolarHBondContact O-N 3.46Å; L188-A192 VanDerWaalsContact O-N 3.07Å; F189-A192 WeakPolarHBondContact O-CB 3.14Å; F189-A192 PolarHBondContact O-N 3.43Å; F189-A192 VanDerWaalsContact O-N 3.1Å; L190-A192 VanDerWaalsContact C-N 3.25Å; L190-A192 PolarHBondContact O-N 3.13Å; A192-G195 PolarHBondContact O-N 2.9Å; A192-L200 HydrophobicContact CB-CD1 4.11Å; A192-P220 HydrophobicContact CB-CB 3.83Å; A192-P220 WeakPolarHBondContact CB-O 3.49Å; A192-I223 HydrophobicContact CB-CG2 3.98Å; A192-A224 HydrophobicContact CB-CB 4.14Å; A192-H229 PolarHBondContact O-CD2 3.43Å; A192-H229 VanDerWaalsContact O-CD2 3.3Å; A192-L236 HydrophobicContact CB-CD1 4.22Å
193Q98.1Very high97.8Very high42 Ų4234.1 Ų34.120%0.19616%0.163CC..Hα-helixtrans-63.4-42.7179.7-177.7178.718.400112.9F189 L190 I223 H229F189-Q193 HydrophobicContact CD1-CB 4.41Å; F189-Q193 HydrophobicContact CE1-CB 4.31Å; F189-Q193 WeakPolarHBondContact O-CB 3.15Å; F189-Q193 PolarHBondContact O-N 3.11Å; L190-Q193 PolarHBondContact O-N 3.11Å; Q193-I223 HydrophobicContact CB-CG1 3.7Å; Q193-I223 HydrophobicContact CB-CG2 4.17Å; Q193-I223 HydrophobicContact CG-CD1 4.33Å; Q193-I223 HydrophobicContact CG-CG1 3.7Å; Q193-H229 PolarHBondContact O-CD2 3.43Å; Q193-H229 PolarHBondContact O-NE2 2.76Å; Q193-H229 VanDerWaalsContact O-NE2 3.12Å
194Y97.9Very high98Very high82 Ų8230.6 Ų30.632%0.32215%0.147SC..THydrogen-bonded Turntrans-969.2-177.5-68-75.5000113.6Y161 L190 Q196Y161-Y194 AromaticContact CD2-CD2 3.93Å; Y161-Y194 HydrophobicContact CD2-CD2 3.93Å; Y161-Y194 HydrophobicContact CD2-CE1 4.28Å; Y161-Y194 AromaticContact CD2-CE2 3.55Å; Y161-Y194 HydrophobicContact CD2-CE2 3.55Å; Y161-Y194 HydrophobicContact CD2-CG 4.44Å; Y161-Y194 AromaticContact CD2-CZ 3.74Å; Y161-Y194 HydrophobicContact CE2-CD1 4.43Å; Y161-Y194 HydrophobicContact CE2-CD2 4.43Å; Y161-Y194 AromaticContact CE2-CE1 3.82Å; Y161-Y194 HydrophobicContact CE2-CE1 3.82Å; Y161-Y194 AromaticContact CE2-CE2 3.83Å; Y161-Y194 HydrophobicContact CE2-CE2 3.83Å; Y161-Y194 AromaticContact CE2-CZ 3.48Å; Y161-Y194 VanDerWaalsContact CE2-CZ 3.48Å; L190-Y194 HydrophobicContact CD2-CD2 4.15Å; L190-Y194 HydrophobicContact CD2-CE2 3.69Å; L190-Y194 WeakPolarHBondContact O-CD2 3.2Å; L190-Y194 PolarHBondContact O-N 3.15Å; Y194-Q196 VanDerWaalsContact C-N 3.25Å; Y194-Q196 PolarHBondContact O-N 2.58Å
195G97.9Very high98.2Very high24 Ų2431 Ų3125%0.24715%0.152CC..THydrogen-bonded Turntrans67.124.3175.900000114.2A191 A192 K197 H229A191-G195 PolarHBondContact O-N 3.07Å; A192-G195 PolarHBondContact O-N 2.9Å; G195-K197 PolarHBondContact O-N 2.92Å; G195-H229 WeakPolarHBondContact CA-CD2 3.4Å; G195-H229 VanDerWaalsContact CA-CG 3.45Å; G195-H229 PolarHBondContact N-CD2 3.3Å; G195-H229 PolarHBondContact N-NE2 3.03Å
196Q98.3Very high98.2Very high48 Ų4831.9 Ų31.922%0.22416%0.163CC..  trans-80.365.8-176.3-59.5-69.6-5.200110.7V160 G163 A191 Y194 E198 C199 L200V160-Q196 WeakPolarHBondContact O-CG 3.19Å; G163-Q196 VanDerWaalsContact CA-CD 3.48Å; A191-Q196 HydrophobicContact CB-CB 4.39Å; A191-Q196 PolarHBondContact O-N 3.21Å; Y194-Q196 VanDerWaalsContact C-N 3.25Å; Y194-Q196 PolarHBondContact O-N 2.58Å; Q196-E198 VanDerWaalsContact C-N 3.32Å; Q196-E198 PolarHBondContact O-N 3.32Å; Q196-C199 HydrophobicContact CB-CB 4.01Å; Q196-C199 WeakPolarHBondContact O-CB 3.42Å; Q196-C199 PolarHBondContact O-N 3Å; Q196-L200 PolarHBondContact O-N 2.89Å
197K98.3Very high98.2Very high84 Ų8434.6 Ų34.637%0.36519%0.191SC..Hα-helixtrans-49.1-47.7-171.5-173.8-157.4177.4-176.60113.2G195 C199 L200 E201 A231 L235G195-K197 PolarHBondContact O-N 2.92Å; K197-C199 VanDerWaalsContact C-N 3.32Å; K197-C199 PolarHBondContact O-N 3.16Å; K197-L200 WeakPolarHBondContact O-CB 3.41Å; K197-L200 PolarHBondContact O-N 2.87Å; K197-E201 WeakPolarHBondContact O-CB 3.49Å; K197-E201 PolarHBondContact O-N 3.46Å; K197-A231 HydrophobicContact CD-CB 3.85Å; K197-A231 HydrophobicContact CG-CB 4.17Å; K197-L235 HydrophobicContact CG-CD1 4.38Å
198E98.5Very high98.2Very high93 Ų9334.9 Ų34.944%0.43519%0.193SC..Hα-helixtrans-71.4-29-177.1-61.974.7-166.300112.7R165 Q196 L202R165-E198 HydrophobicContact CB-CB 4.44Å; R165-E198 HydrophobicContact CG-CB 3.75Å; Q196-E198 VanDerWaalsContact C-N 3.32Å; Q196-E198 PolarHBondContact O-N 3.32Å; E198-L202 VanDerWaalsContact O-CG 3.28Å; E198-L202 WeakPolarHBondContact O-CG 3.44Å; E198-L202 PolarHBondContact O-N 3.4Å
199C98.6Very high98.2Very high1 Ų138.3 Ų38.31%0.00722%0.215CC..Hα-helixtrans-71.8-42172.7-62.90000110.4V160 V168 A191 Q196 K197 E201 L202 L203V160-C199 HydrophobicContact CG1-CB 4.39Å; V160-C199 HydrophobicContact CG2-CB 4.36Å; V168-C199 HydrophobicContact CG2-CB 4.32Å; A191-C199 HydrophobicContact CB-CB 4.44Å; Q196-C199 HydrophobicContact CB-CB 4.01Å; Q196-C199 WeakPolarHBondContact O-CB 3.42Å; Q196-C199 PolarHBondContact O-N 3Å; K197-C199 VanDerWaalsContact C-N 3.32Å; K197-C199 PolarHBondContact O-N 3.16Å; C199-E201 PolarHBondContact O-N 2.62Å; C199-L202 PolarHBondContact O-N 3.14Å; C199-L203 VanDerWaalsContact O-CG 3.29Å; C199-L203 WeakPolarHBondContact O-CG 3.29Å; C199-L203 PolarHBondContact O-N 3.15Å
200L98.6Very high98.2Very high0 Ų038.9 Ų38.90%022%0.218CC..Hα-helixtrans-57.4-47.7174.7-169.175.4000111.3L188 A191 A192 Q196 K197 L202 L203 I204 C232 L235 L236L188-L200 HydrophobicContact CD1-CD1 3.46Å; L188-L200 VanDerWaalsContact CD1-CD1 3.46Å; L188-L200 HydrophobicContact CD1-CG 4.26Å; L188-L200 HydrophobicContact CG-CD1 3.91Å; L188-L200 WeakPolarHBondContact O-CD1 3.33Å; A191-L200 HydrophobicContact CB-CB 3.86Å; A191-L200 HydrophobicContact CB-CD1 3.75Å; A191-L200 HydrophobicContact CB-CG 4.44Å; A192-L200 HydrophobicContact CB-CD1 4.11Å; Q196-L200 PolarHBondContact O-N 2.89Å; K197-L200 WeakPolarHBondContact O-CB 3.41Å; K197-L200 PolarHBondContact O-N 2.87Å; L200-L202 PolarHBondContact O-N 2.95Å; L200-L203 PolarHBondContact O-N 3.35Å; L200-I204 HydrophobicContact CG-CD1 4.07Å; L200-I204 WeakPolarHBondContact O-CG1 3.5Å; L200-I204 PolarHBondContact O-N 3.36Å; L200-C232 HydrophobicContact CD2-CB 3.6Å; L200-L235 HydrophobicContact CD2-CD2 4.23Å; L200-L235 HydrophobicContact CG-CD2 4.33Å; L200-L236 HydrophobicContact CD1-CD2 4.36Å; L200-L236 HydrophobicContact CD2-CD1 4.39Å; L200-L236 HydrophobicContact CD2-CD2 4.5Å; L200-L236 HydrophobicContact CD2-CG 4.09Å
201E98.7Very high98.2Very high88 Ų8841.1 Ų41.141%0.41123%0.23SC..Hα-helixtrans-59.6-43.5176.5-173.6174.9-16400112K197 C199 N205 L235K197-E201 WeakPolarHBondContact O-CB 3.49Å; K197-E201 PolarHBondContact O-N 3.46Å; C199-E201 PolarHBondContact O-N 2.62Å; E201-N205 WeakPolarHBondContact CG-ND2 3.47Å; E201-N205 VanDerWaalsContact O-CB 3.31Å; E201-N205 WeakPolarHBondContact O-CB 3.48Å; E201-N205 PolarHBondContact O-N 3.09Å; E201-N205 PolarHBondContact O-ND2 3.09Å; E201-L235 HydrophobicContact CB-CD1 3.72Å; E201-L235 HydrophobicContact CG-CD1 4.05Å
202L98.6Very high98Very high23 Ų2341.8 Ų41.812%0.1224%0.235CC..Hα-helixtrans-64.3-41.6177.1-74.8174.2000112.5R165 V168 R169 E198 C199 L200 A206R165-L202 HydrophobicContact CG-CD1 3.51Å; R165-L202 WeakPolarHBondContact O-CD1 3.33Å; V168-L202 HydrophobicContact CB-CD1 4.29Å; V168-L202 HydrophobicContact CG1-CB 4.11Å; V168-L202 HydrophobicContact CG1-CD1 4.11Å; R169-L202 HydrophobicContact CB-CD1 3.99Å; R169-L202 HydrophobicContact CG-CD2 4.46Å; E198-L202 VanDerWaalsContact O-CG 3.28Å; E198-L202 WeakPolarHBondContact O-CG 3.44Å; E198-L202 PolarHBondContact O-N 3.4Å; C199-L202 PolarHBondContact O-N 3.14Å; L200-L202 PolarHBondContact O-N 2.95Å; L202-A206 WeakPolarHBondContact O-CB 3.18Å; L202-A206 PolarHBondContact O-N 2.93Å
203L98.6Very high97.9Very high0 Ų045 Ų450%025%0.249CC..Hα-helixtrans-64.9-45.2179-71.6165.1000111.4L156 V160 V172 L177 P187 L188 A191 C199 L200 A206 G207 A208L156-L203 HydrophobicContact CD1-CD2 4.26Å; L156-L203 HydrophobicContact CD2-CD2 4.08Å; L156-L203 HydrophobicContact CG-CD2 4.44Å; V160-L203 HydrophobicContact CG2-CD1 3.95Å; V172-L203 HydrophobicContact CG1-CD2 3.93Å; L177-L203 HydrophobicContact CD2-CD2 4.03Å; P187-L203 HydrophobicContact CB-CD1 4.16Å; P187-L203 HydrophobicContact CB-CD2 4.21Å; L188-L203 HydrophobicContact CB-CD1 4.46Å; L188-L203 HydrophobicContact CD1-CB 3.7Å; L188-L203 HydrophobicContact CD1-CD1 4.27Å; A191-L203 HydrophobicContact CB-CD1 4.1Å; C199-L203 VanDerWaalsContact O-CG 3.29Å; C199-L203 WeakPolarHBondContact O-CG 3.29Å; C199-L203 PolarHBondContact O-N 3.15Å; L200-L203 PolarHBondContact O-N 3.35Å; L203-A206 CarbonylContact O-C 3.54Å; L203-A206 PolarHBondContact O-N 2.92Å; L203-G207 PolarHBondContact O-N 3.31Å; L203-A208 HydrophobicContact CB-CB 4.01Å; L203-A208 WeakPolarHBondContact O-CB 3.37Å; L203-A208 PolarHBondContact O-N 2.83Å
204I98.4Very high97.8Very high15 Ų1543 Ų438%0.07724%0.241CC..Hα-helixtrans-64.6-45.2178.7-71.9168000110.9L188 L200 A206 G207 V210 L235 L236 N239L188-I204 HydrophobicContact CD1-CD1 4.06Å; L188-I204 HydrophobicContact CD1-CG1 3.59Å; L200-I204 HydrophobicContact CG-CD1 4.07Å; L200-I204 WeakPolarHBondContact O-CG1 3.5Å; L200-I204 PolarHBondContact O-N 3.36Å; I204-A206 PolarHBondContact O-N 3.17Å; I204-G207 PolarHBondContact O-N 3.3Å; I204-V210 HydrophobicContact CD1-CG2 4.46Å; I204-V210 HydrophobicContact CG1-CG2 4.17Å; I204-V210 HydrophobicContact CG2-CG2 4.47Å; I204-L235 HydrophobicContact CD1-CD2 3.25Å; I204-L235 HydrophobicContact CG1-CD2 4.45Å; I204-L236 HydrophobicContact CD1-CD2 4.07Å; I204-N239 HydrophobicContact CG2-CB 3.76Å
205N98.1Very high97.7Very high116 Ų11641.2 Ų41.262%0.6224%0.243SC*.Hα-helixtrans-63.1-26.6176.3-74.2-35.5000113E201 G207E201-N205 WeakPolarHBondContact CG-ND2 3.47Å; E201-N205 VanDerWaalsContact O-CB 3.31Å; E201-N205 WeakPolarHBondContact O-CB 3.48Å; E201-N205 PolarHBondContact O-N 3.09Å; E201-N205 PolarHBondContact O-ND2 3.09Å; N205-G207 VanDerWaalsContact C-N 3.28Å
206A97.8Very high97.3Very high39 Ų3945 Ų4532%0.32226%0.258SS..THydrogen-bonded Turntrans-82.3-3.5174.100000113.5V172 L177 L202 L203 I204V172-A206 HydrophobicContact CB-CB 3.79Å; V172-A206 HydrophobicContact CG1-CB 4.32Å; V172-A206 HydrophobicContact CG2-CB 4.25Å; L177-A206 HydrophobicContact CD1-CB 3.7Å; L177-A206 VanDerWaalsContact CD1-O 3.31Å; L177-A206 WeakPolarHBondContact CD1-O 3.18Å; L202-A206 WeakPolarHBondContact O-CB 3.18Å; L202-A206 PolarHBondContact O-N 2.93Å; L203-A206 CarbonylContact O-C 3.54Å; L203-A206 PolarHBondContact O-N 2.92Å; I204-A206 PolarHBondContact O-N 3.17Å
207G97.3Very high97.2Very high58 Ų5844.9 Ų44.960%0.59826%0.258SS*.THydrogen-bonded Turntrans93.620.6176.700000115L203 I204 N205L203-G207 PolarHBondContact O-N 3.31Å; I204-G207 PolarHBondContact O-N 3.3Å; N205-G207 VanDerWaalsContact C-N 3.28Å
208A97.8Very high97.1Very high6 Ų641 Ų415%0.0524%0.242CC..  trans-60.3142.9171.800000111.3L177 E178 L188 L203 V210L177-A208 HydrophobicContact CB-CB 4.26Å; L177-A208 HydrophobicContact CD1-CB 4.28Å; E178-A208 WeakPolarHBondContact OE1-CA 3.48Å; L188-A208 HydrophobicContact CB-CB 4.41Å; L188-A208 HydrophobicContact CD1-CB 4.26Å; L188-A208 HydrophobicContact CD2-CB 4.44Å; L203-A208 HydrophobicContact CB-CB 4.01Å; L203-A208 WeakPolarHBondContact O-CB 3.37Å; L203-A208 PolarHBondContact O-N 2.83Å; A208-V210 PolarHBondContact O-N 3.03Å
209T97.8Very high97.1Very high74 Ų7436.7 Ų36.745%0.45422%0.222SC..  trans-72.6110.3-175.7-58.80000110.4E178 L188 N211 T212E178-T209 PolarHBondContact OE1-N 2.84Å; E178-T209 PolarHBondContact OE1-OG1 3.34Å; E178-T209 VanDerWaalsContact OE1-OG1 3.12Å; L188-T209 VanDerWaalsContact CD2-O 3.25Å; L188-T209 WeakPolarHBondContact CD2-O 3.28Å; T209-N211 VanDerWaalsContact C-N 3.29Å; T209-N211 PolarHBondContact O-N 3.42Å; T209-T212 HydrophobicContact CG2-CG2 3.94Å; T209-T212 VanDerWaalsContact O-CG2 3.26Å; T209-T212 WeakPolarHBondContact O-CG2 3.47Å; T209-T212 PolarHBondContact O-N 3.04Å
210V98.1Very high97.1Very high19 Ų1936.6 Ų36.612%0.11522%0.221CC..THydrogen-bonded Turntrans-63.3-33.5-173.6177.60000113.4I204 A208 L236 N239 A241I204-V210 HydrophobicContact CD1-CG2 4.46Å; I204-V210 HydrophobicContact CG1-CG2 4.17Å; I204-V210 HydrophobicContact CG2-CG2 4.47Å; A208-V210 PolarHBondContact O-N 3.03Å; V210-L236 HydrophobicContact CG1-CD2 3.92Å; V210-N239 HydrophobicContact CG2-CB 4.42Å; V210-A241 HydrophobicContact CG1-CB 3.61Å
211N97.5Very high97.1Very high51 Ų5136.7 Ų36.727%0.27322%0.222SC..THydrogen-bonded Turntrans-102.333.4-175.9-65.4-64.1000112.7T209 G240 A241 N242 M245T209-N211 VanDerWaalsContact C-N 3.29Å; T209-N211 PolarHBondContact O-N 3.42Å; N211-G240 PolarHBondContact ND2-O 3.08Å; N211-A241 WeakPolarHBondContact OD1-CA 3.36Å; N211-N242 PolarHBondContact OD1-N 2.93Å; N211-M245 HydrophobicContact CB-CE 3.9Å; N211-M245 HydrophobicContact CB-SD 4.12Å
212T95.8Very high97.1Very high15 Ų1532.8 Ų32.89%0.09220%0.204CC..  trans-61.7154.1171520000111.1E178 S186 T209 P220E178-T212 WeakPolarHBondContact OE2-CG2 3.19Å; S186-T212 PolarHBondContact OG-OG1 2.99Å; T209-T212 HydrophobicContact CG2-CG2 3.94Å; T209-T212 VanDerWaalsContact O-CG2 3.26Å; T209-T212 WeakPolarHBondContact O-CG2 3.47Å; T209-T212 PolarHBondContact O-N 3.04Å; T212-P220 WeakPolarHBondContact O-CD 3.44Å
213Q95.8Very high97Very high66 Ų6632.3 Ų32.331%0.30820%0.201SC..  trans-123.1138.3174.5-67.5-170.8-76.500110L217 A218 T219 M245 A246Q213-L217 PolarHBondContact NE2-O 3.49Å; Q213-A218 WeakPolarHBondContact CA-O 3.49Å; Q213-T219 HydrophobicContact CG-CG2 3.97Å; Q213-M245 HydrophobicContact CG-SD 4.26Å; Q213-A246 PolarHBondContact NE2-O 2.95Å
214A95.8Very high97Very high2 Ų232.3 Ų32.32%0.01720%0.201CC..  trans-74.4177.6165.900000110.7I185 F189 D216 L217 A218I185-A214 HydrophobicContact CD1-CB 3.53Å; F189-A214 HydrophobicContact CD2-CB 4.4Å; F189-A214 HydrophobicContact CE2-CB 4.08Å; A214-D216 PolarHBondContact O-N 2.89Å; A214-D216 VanDerWaalsContact O-N 3.16Å; A214-L217 WeakPolarHBondContact O-CA 3.42Å; A214-L217 PolarHBondContact O-N 3.47Å; A214-A218 PolarHBondContact N-O 3.08Å
215A94.6Very high97Very high44 Ų4431.6 Ų31.636%0.36420%0.197SC..THydrogen-bonded Turntrans-61.1-29.1-175.500000113.6H183 E184 L217H183-A215 WeakPolarHBondContact O-CB 3.25Å; H183-A215 PolarHBondContact O-N 3.12Å; E184-A215 HydrophobicContact CB-CB 4.29Å; E184-A215 HydrophobicContact CG-CB 4.15Å; A215-L217 VanDerWaalsContact C-N 3.27Å
216D91Very high97Very high104 Ų10428 Ų2856%0.55618%0.177SC*.THydrogen-bonded Turntrans-84.93175.567.6-8.9000113.7A214 A218A214-D216 PolarHBondContact O-N 2.89Å; A214-D216 VanDerWaalsContact O-N 3.16Å; D216-A218 VanDerWaalsContact C-N 3.33Å; D216-A218 WeakPolarHBondContact OD1-CB 3.43Å; D216-A218 PolarHBondContact OD1-N 2.79Å
217L95.8Very high97Very high44 Ų4430 Ų3023%0.2318%0.179CC..  trans77.53.6-174.6-53.3-178.2000115.4Q213 A214 A215 T219 C247 K249Q213-L217 PolarHBondContact NE2-O 3.49Å; A214-L217 WeakPolarHBondContact O-CA 3.42Å; A214-L217 PolarHBondContact O-N 3.47Å; A215-L217 VanDerWaalsContact C-N 3.27Å; L217-T219 PolarHBondContact O-N 3.25Å; L217-C247 CarbonylContact C-O 3.55Å; L217-C247 VanDerWaalsContact O-CA 3.31Å; L217-C247 WeakPolarHBondContact O-CA 3.17Å; L217-K249 HydrophobicContact CD1-CD 4.41Å; L217-K249 HydrophobicContact CD1-CG 3.49Å; L217-K249 VanDerWaalsContact CD1-CG 3.49Å; L217-K249 HydrophobicContact CG-CG 4.21Å
218A95.9Very high97Very high4 Ų428.4 Ų28.43%0.03316%0.163CC..  trans-62.1135.3178.200000111.8F189 Q213 A214 D216 L222F189-A218 HydrophobicContact CE2-CB 3.74Å; F189-A218 WeakPolarHBondContact CE2-O 3.38Å; F189-A218 HydrophobicContact CZ-CB 4.08Å; Q213-A218 WeakPolarHBondContact CA-O 3.49Å; A214-A218 PolarHBondContact N-O 3.08Å; D216-A218 VanDerWaalsContact C-N 3.33Å; D216-A218 WeakPolarHBondContact OD1-CB 3.43Å; D216-A218 PolarHBondContact OD1-N 2.79Å; A218-L222 HydrophobicContact CB-CD2 3.64Å
219T98.1Very high97.1Very high1 Ų130.8 Ų30.81%0.00617%0.173CC..  trans-98.2159.2176.4590000111.4Q213 L217 L221 L222 I223 M245 C247Q213-T219 HydrophobicContact CG-CG2 3.97Å; L217-T219 PolarHBondContact O-N 3.25Å; T219-L221 PolarHBondContact O-N 3.19Å; T219-L222 WeakPolarHBondContact O-CB 3.43Å; T219-L222 PolarHBondContact O-N 3.1Å; T219-L222 PolarHBondContact OG1-N 2.95Å; T219-L222 VanDerWaalsContact OG1-N 3.15Å; T219-I223 PolarHBondContact O-N 3.34Å; T219-M245 HydrophobicContact CG2-CB 4.47Å; T219-M245 HydrophobicContact CG2-CG 4.04Å; T219-M245 HydrophobicContact CG2-SD 3.62Å; T219-C247 PolarHBondContact OG1-SG 3.4Å
220P98.6Very high97.1Very high0 Ų029.9 Ų29.90%016%0.164CC..Hα-helixtrans-51.7-37.2169.9-28.534.8000113L188 F189 A192 T212 I223 A224 L236L188-P220 HydrophobicContact CD2-CG 4.14Å; L188-P220 HydrophobicContact CG-CG 4.39Å; F189-P220 HydrophobicContact CB-CG 4.36Å; A192-P220 HydrophobicContact CB-CB 3.83Å; A192-P220 WeakPolarHBondContact CB-O 3.49Å; T212-P220 WeakPolarHBondContact O-CD 3.44Å; P220-I223 WeakPolarHBondContact O-CG2 3.32Å; P220-A224 VanDerWaalsContact O-CB 3.32Å; P220-A224 WeakPolarHBondContact O-CB 3.47Å; P220-A224 PolarHBondContact O-N 2.85Å; P220-L236 HydrophobicContact CB-CD1 4.04Å; P220-L236 HydrophobicContact CB-CD2 3.97Å
221L98.8Very high97.1Very high2 Ų231 Ų311%0.0118%0.175CC..Hα-helixtrans-68.7-40.5178.1-17862.1000112.1T219 S225 V233 L236 L237 A241 P243 P255 L271T219-L221 PolarHBondContact O-N 3.19Å; L221-S225 VanDerWaalsContact O-CB 3.28Å; L221-S225 WeakPolarHBondContact O-CB 3.4Å; L221-S225 PolarHBondContact O-N 3.28Å; L221-S225 PolarHBondContact O-OG 3.33Å; L221-V233 HydrophobicContact CD1-CB 4.41Å; L221-V233 HydrophobicContact CD1-CG1 3.94Å; L221-V233 HydrophobicContact CD1-CG2 4.41Å; L221-L236 HydrophobicContact CB-CD1 4.42Å; L221-L236 HydrophobicContact CD1-CB 4.22Å; L221-L237 HydrophobicContact CD1-CD2 4.09Å; L221-L237 HydrophobicContact CD1-CG 3.99Å; L221-L237 HydrophobicContact CD2-CD2 3.67Å; L221-L237 HydrophobicContact CD2-CG 4.47Å; L221-A241 HydrophobicContact CB-CB 4.13Å; L221-A241 HydrophobicContact CD2-CB 3.88Å; L221-A241 HydrophobicContact CG-CB 4.43Å; L221-P243 HydrophobicContact CD2-CB 4.21Å; L221-P255 HydrophobicContact CB-CG 4.16Å; L221-P255 HydrophobicContact CD2-CB 4.23Å; L221-P255 HydrophobicContact CD2-CG 3.81Å; L221-P255 HydrophobicContact CG-CB 3.9Å; L221-P255 HydrophobicContact CG-CG 3.7Å; L221-L271 HydrophobicContact CD1-CD2 4.5Å; L221-L271 HydrophobicContact CD2-CD2 4.46Å
222L98.2Very high97.2Very high6 Ų628.7 Ų28.73%0.03116%0.163CC..Hα-helixtrans-61.6-52.7175.4-179.2104.1000110.7A218 T219 A224 S225 Q226 C247 Q253 P255 A258A218-L222 HydrophobicContact CB-CD2 3.64Å; T219-L222 WeakPolarHBondContact O-CB 3.43Å; T219-L222 PolarHBondContact O-N 3.1Å; T219-L222 PolarHBondContact OG1-N 2.95Å; T219-L222 VanDerWaalsContact OG1-N 3.15Å; L222-A224 PolarHBondContact O-N 3.48Å; L222-S225 CarbonylContact O-C 3.49Å; L222-S225 WeakPolarHBondContact O-CA 3.17Å; L222-S225 WeakPolarHBondContact O-CB 3.35Å; L222-S225 PolarHBondContact O-N 3.01Å; L222-S225 VanDerWaalsContact O-N 3.08Å; L222-Q226 PolarHBondContact O-N 2.98Å; L222-C247 HydrophobicContact CB-CB 4.43Å; L222-C247 HydrophobicContact CD1-CB 3.72Å; L222-C247 HydrophobicContact CD2-CB 4.07Å; L222-C247 HydrophobicContact CG-CB 4.28Å; L222-Q253 HydrophobicContact CD1-CG 4Å; L222-P255 HydrophobicContact CB-CG 4.28Å; L222-A258 HydrophobicContact CD1-CB 4.24Å; L222-A258 HydrophobicContact CG-CB 4.4Å
223I98.1Very high97.3Very high12 Ų1228 Ų286%0.06216%0.159CC..Hα-helixtrans-67.3-38.8-175.1-164.463.6000112F189 A192 Q193 T219 P220 S225 Q226 E227F189-I223 HydrophobicContact CD1-CG2 4.18Å; F189-I223 HydrophobicContact CD2-CG2 4.2Å; F189-I223 HydrophobicContact CE1-CB 4.1Å; F189-I223 HydrophobicContact CE1-CG1 3.91Å; F189-I223 HydrophobicContact CE1-CG2 3.89Å; F189-I223 HydrophobicContact CE2-CB 4.09Å; F189-I223 HydrophobicContact CE2-CG2 3.89Å; F189-I223 HydrophobicContact CG-CG2 4.34Å; F189-I223 HydrophobicContact CZ-CB 3.67Å; F189-I223 HydrophobicContact CZ-CD1 4.37Å; F189-I223 HydrophobicContact CZ-CG1 3.84Å; F189-I223 HydrophobicContact CZ-CG2 3.75Å; A192-I223 HydrophobicContact CB-CG2 3.98Å; Q193-I223 HydrophobicContact CB-CG1 3.7Å; Q193-I223 HydrophobicContact CB-CG2 4.17Å; Q193-I223 HydrophobicContact CG-CD1 4.33Å; Q193-I223 HydrophobicContact CG-CG1 3.7Å; T219-I223 PolarHBondContact O-N 3.34Å; P220-I223 WeakPolarHBondContact O-CG2 3.32Å; I223-S225 VanDerWaalsContact C-N 3.25Å; I223-S225 PolarHBondContact O-N 3.45Å; I223-Q226 WeakPolarHBondContact O-CB 3.43Å; I223-Q226 PolarHBondContact O-N 3.19Å; I223-E227 HydrophobicContact CD1-CG 4.27Å; I223-E227 HydrophobicContact CG1-CG 4.3Å; I223-E227 WeakPolarHBondContact O-CG 3.25Å; I223-E227 PolarHBondContact O-N 2.84Å
224A98.7Very high97.5Very high0 Ų027.1 Ų27.10%016%0.156CC..Hα-helixtrans-62.7-34.2172.500000112.4A192 P220 L222 G228 H229 C232 V233 L236A192-A224 HydrophobicContact CB-CB 4.14Å; P220-A224 VanDerWaalsContact O-CB 3.32Å; P220-A224 WeakPolarHBondContact O-CB 3.47Å; P220-A224 PolarHBondContact O-N 2.85Å; L222-A224 PolarHBondContact O-N 3.48Å; A224-G228 PolarHBondContact O-N 3.46Å; A224-H229 HydrophobicContact CB-CB 4.45Å; A224-H229 PolarHBondContact O-N 2.94Å; A224-C232 HydrophobicContact CB-CB 4.01Å; A224-V233 HydrophobicContact CB-CG2 3.84Å; A224-L236 HydrophobicContact CB-CD1 4.18Å
225S98.4Very high97.6Very high0 Ų028 Ų280%016%0.16CC..Hα-helixtrans-72.2-36.4176.9-58.80000112.3L221 L222 I223 H264L221-S225 VanDerWaalsContact O-CB 3.28Å; L221-S225 WeakPolarHBondContact O-CB 3.4Å; L221-S225 PolarHBondContact O-N 3.28Å; L221-S225 PolarHBondContact O-OG 3.33Å; L222-S225 CarbonylContact O-C 3.49Å; L222-S225 WeakPolarHBondContact O-CA 3.17Å; L222-S225 WeakPolarHBondContact O-CB 3.35Å; L222-S225 PolarHBondContact O-N 3.01Å; L222-S225 VanDerWaalsContact O-N 3.08Å; I223-S225 VanDerWaalsContact C-N 3.25Å; I223-S225 PolarHBondContact O-N 3.45Å; S225-H264 PolarHBondContact O-CD2 3.35Å
226Q97.5Very high97.8Very high41 Ų4125.9 Ų25.919%0.19214%0.143CC..Hα-helixtrans-65.7-48174.4179.3173.9-66.600112L222 I223 G228 A258 F262 H264L222-Q226 PolarHBondContact O-N 2.98Å; I223-Q226 WeakPolarHBondContact O-CB 3.43Å; I223-Q226 PolarHBondContact O-N 3.19Å; Q226-G228 VanDerWaalsContact C-N 3.26Å; Q226-G228 PolarHBondContact O-N 3.42Å; Q226-A258 HydrophobicContact CB-CB 4.02Å; Q226-F262 HydrophobicContact CB-CD2 4.46Å; Q226-F262 HydrophobicContact CB-CE2 4.5Å; Q226-F262 HydrophobicContact CG-CD2 3.76Å; Q226-F262 HydrophobicContact CG-CE1 4.3Å; Q226-F262 HydrophobicContact CG-CE2 3.5Å; Q226-F262 HydrophobicContact CG-CG 4.29Å; Q226-F262 HydrophobicContact CG-CZ 3.78Å; Q226-H264 PolarHBondContact O-CD2 3.02Å; Q226-H264 VanDerWaalsContact O-CD2 3.31Å; Q226-H264 PolarHBondContact O-NE2 3.18Å
227E97.5Very high98.2Very high80 Ų8022 Ų2237%0.37412%0.122SC..Hα-helixtrans-80.8-4.7-175.9-59.8-55.6140.100113.1I223I223-E227 HydrophobicContact CD1-CG 4.27Å; I223-E227 HydrophobicContact CG1-CG 4.3Å; I223-E227 WeakPolarHBondContact O-CG 3.25Å; I223-E227 PolarHBondContact O-N 2.84Å
228G97.9Very high98.3Very high25 Ų2525.4 Ų25.426%0.25814%0.141SC..THydrogen-bonded Turntrans81.821.1174.300000114.5A224 Q226 Q230 H264 I267A224-G228 PolarHBondContact O-N 3.46Å; Q226-G228 VanDerWaalsContact C-N 3.26Å; Q226-G228 PolarHBondContact O-N 3.42Å; G228-Q230 PolarHBondContact O-N 2.94Å; G228-H264 WeakPolarHBondContact CA-CE1 3.44Å; G228-H264 WeakPolarHBondContact CA-NE2 3.29Å; G228-H264 PolarHBondContact N-NE2 3.19Å; G228-I267 VanDerWaalsContact C-CD1 3.48Å
229H98.6Very high98.4Very high57 Ų5728.8 Ų28.826%0.26416%0.158SC..  trans-8674.7-176.2-63.5-37.9000112.3A192 Q193 G195 A224 A231 C232 V233A192-H229 PolarHBondContact O-CD2 3.43Å; A192-H229 VanDerWaalsContact O-CD2 3.3Å; Q193-H229 PolarHBondContact O-CD2 3.43Å; Q193-H229 PolarHBondContact O-NE2 2.76Å; Q193-H229 VanDerWaalsContact O-NE2 3.12Å; G195-H229 WeakPolarHBondContact CA-CD2 3.4Å; G195-H229 VanDerWaalsContact CA-CG 3.45Å; G195-H229 PolarHBondContact N-CD2 3.3Å; G195-H229 PolarHBondContact N-NE2 3.03Å; A224-H229 HydrophobicContact CB-CB 4.45Å; A224-H229 PolarHBondContact O-N 2.94Å; H229-A231 VanDerWaalsContact C-N 3.31Å; H229-A231 PolarHBondContact O-N 3.02Å; H229-C232 HydrophobicContact CB-CB 4.03Å; H229-C232 WeakPolarHBondContact O-CB 3.28Å; H229-C232 PolarHBondContact O-N 3.1Å; H229-V233 PolarHBondContact O-N 2.9Å
230Q98.5Very high98.4Very high54 Ų5431.1 Ų31.125%0.25218%0.183SC..Hα-helixtrans-47.6-48.3-177.7-178.86953.900113.4G228 C232 V233 D234 I267G228-Q230 PolarHBondContact O-N 2.94Å; Q230-C232 VanDerWaalsContact C-N 3.27Å; Q230-C232 PolarHBondContact O-N 3.31Å; Q230-V233 WeakPolarHBondContact O-CB 3.32Å; Q230-V233 PolarHBondContact O-N 3.28Å; Q230-D234 VanDerWaalsContact NE2-CG 3.33Å; Q230-D234 PolarHBondContact NE2-OD1 3.24Å; Q230-D234 PolarHBondContact NE2-OD2 3.41Å; Q230-D234 VanDerWaalsContact NE2-OD2 3.09Å; Q230-D234 PolarHBondContact O-N 3.22Å; Q230-I267 HydrophobicContact CB-CG1 4.26Å
231A98.6Very high98.4Very high44 Ų4431.5 Ų31.536%0.36419%0.185SC..Hα-helixtrans-66.2-28.8-177.300000113.3K197 H229 L235K197-A231 HydrophobicContact CD-CB 3.85Å; K197-A231 HydrophobicContact CG-CB 4.17Å; H229-A231 VanDerWaalsContact C-N 3.31Å; H229-A231 PolarHBondContact O-N 3.02Å; A231-L235 WeakPolarHBondContact O-CB 3.12Å; A231-L235 PolarHBondContact O-N 3.43Å
232C98.8Very high98.3Very high2 Ų234.4 Ų34.41%0.01420%0.201CC..Hα-helixtrans-75.1-41.7173.2-66.30000110.8L200 A224 H229 Q230 L235 L236L200-C232 HydrophobicContact CD2-CB 3.6Å; A224-C232 HydrophobicContact CB-CB 4.01Å; H229-C232 HydrophobicContact CB-CB 4.03Å; H229-C232 WeakPolarHBondContact O-CB 3.28Å; H229-C232 PolarHBondContact O-N 3.1Å; Q230-C232 VanDerWaalsContact C-N 3.27Å; Q230-C232 PolarHBondContact O-N 3.31Å; C232-L235 PolarHBondContact O-N 3Å; C232-L236 WeakPolarHBondContact O-CB 3.46Å; C232-L236 WeakPolarHBondContact O-CD1 3.4Å; C232-L236 VanDerWaalsContact O-CG 3.23Å; C232-L236 WeakPolarHBondContact O-CG 3.22Å; C232-L236 PolarHBondContact O-N 3.14Å
233V98.8Very high98.3Very high0 Ų034.8 Ų34.80%020%0.204CC..Hα-helixtrans-57.5-50.8175.1169.40000111L221 A224 H229 Q230 L235 L236 L237 I267L221-V233 HydrophobicContact CD1-CB 4.41Å; L221-V233 HydrophobicContact CD1-CG1 3.94Å; L221-V233 HydrophobicContact CD1-CG2 4.41Å; A224-V233 HydrophobicContact CB-CG2 3.84Å; H229-V233 PolarHBondContact O-N 2.9Å; Q230-V233 WeakPolarHBondContact O-CB 3.32Å; Q230-V233 PolarHBondContact O-N 3.28Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 2.67Å; V233-L236 PolarHBondContact O-N 3.21Å; V233-L237 HydrophobicContact CG1-CD1 3.79Å; V233-L237 HydrophobicContact CG1-CG 4.38Å; V233-L237 WeakPolarHBondContact O-CB 3.32Å; V233-L237 WeakPolarHBondContact O-CG 3.39Å; V233-L237 PolarHBondContact O-N 2.67Å; V233-I267 HydrophobicContact CG1-CG2 4.21Å; V233-I267 HydrophobicContact CG2-CD1 4.04Å; V233-I267 HydrophobicContact CG2-CG1 4.33Å; V233-I267 HydrophobicContact CG2-CG2 4.05Å
234D98.6Very high98.1Very high48 Ų4835.9 Ų35.926%0.25721%0.21SC..Hα-helixtrans-59.3-46.2-179.8-66.4-31.9000110.6Q230 L236 L237 D238Q230-D234 VanDerWaalsContact NE2-CG 3.33Å; Q230-D234 PolarHBondContact NE2-OD1 3.24Å; Q230-D234 PolarHBondContact NE2-OD2 3.41Å; Q230-D234 VanDerWaalsContact NE2-OD2 3.09Å; Q230-D234 PolarHBondContact O-N 3.22Å; D234-L236 PolarHBondContact O-N 3.44Å; D234-L237 PolarHBondContact O-N 2.99Å; D234-D238 WeakPolarHBondContact O-CB 3.21Å; D234-D238 PolarHBondContact O-N 2.85Å
235L98.6Very high97.9Very high19 Ų1938 Ų3810%0.09922%0.22CC..Hα-helixtrans-64.3-40.9179.9-165.5152.3000112.4K197 L200 E201 I204 A231 C232 V233 N239K197-L235 HydrophobicContact CG-CD1 4.38Å; L200-L235 HydrophobicContact CD2-CD2 4.23Å; L200-L235 HydrophobicContact CG-CD2 4.33Å; E201-L235 HydrophobicContact CB-CD1 3.72Å; E201-L235 HydrophobicContact CG-CD1 4.05Å; I204-L235 HydrophobicContact CD1-CD2 3.25Å; I204-L235 HydrophobicContact CG1-CD2 4.45Å; A231-L235 WeakPolarHBondContact O-CB 3.12Å; A231-L235 PolarHBondContact O-N 3.43Å; C232-L235 PolarHBondContact O-N 3Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 2.67Å; L235-N239 WeakPolarHBondContact O-CB 3.48Å; L235-N239 PolarHBondContact O-N 2.85Å; L235-N239 PolarHBondContact O-ND2 3.28Å
236L98.8Very high97.5Very high0 Ų040.2 Ų40.20%024%0.239CC..Hα-helixtrans-63.7-46.7176.4-75.7165000111.4A192 L200 I204 V210 P220 L221 A224 C232 V233 D234 N239 G240 A241A192-L236 HydrophobicContact CB-CD1 4.22Å; L200-L236 HydrophobicContact CD1-CD2 4.36Å; L200-L236 HydrophobicContact CD2-CD1 4.39Å; L200-L236 HydrophobicContact CD2-CD2 4.5Å; L200-L236 HydrophobicContact CD2-CG 4.09Å; I204-L236 HydrophobicContact CD1-CD2 4.07Å; V210-L236 HydrophobicContact CG1-CD2 3.92Å; P220-L236 HydrophobicContact CB-CD1 4.04Å; P220-L236 HydrophobicContact CB-CD2 3.97Å; L221-L236 HydrophobicContact CB-CD1 4.42Å; L221-L236 HydrophobicContact CD1-CB 4.22Å; A224-L236 HydrophobicContact CB-CD1 4.18Å; C232-L236 WeakPolarHBondContact O-CB 3.46Å; C232-L236 WeakPolarHBondContact O-CD1 3.4Å; C232-L236 VanDerWaalsContact O-CG 3.23Å; C232-L236 WeakPolarHBondContact O-CG 3.22Å; C232-L236 PolarHBondContact O-N 3.14Å; V233-L236 PolarHBondContact O-N 3.21Å; D234-L236 PolarHBondContact O-N 3.44Å; L236-N239 CarbonylContact O-C 3.6Å; L236-N239 PolarHBondContact O-N 3.46Å; L236-G240 PolarHBondContact O-N 3.26Å; L236-A241 VanDerWaalsContact C-CB 3.5Å; L236-A241 HydrophobicContact CB-CB 3.85Å; L236-A241 WeakPolarHBondContact O-CB 3.49Å; L236-A241 PolarHBondContact O-N 3.2Å
237L98.6Very high97.2Very high22 Ų2238.4 Ų38.412%0.11523%0.23CC..Hα-helixtrans-63.3-44.1178.2-70.8173.3000111.8L221 V233 D234 N239 G240 P243 R270 L271 V274L221-L237 HydrophobicContact CD1-CD2 4.09Å; L221-L237 HydrophobicContact CD1-CG 3.99Å; L221-L237 HydrophobicContact CD2-CD2 3.67Å; L221-L237 HydrophobicContact CD2-CG 4.47Å; V233-L237 HydrophobicContact CG1-CD1 3.79Å; V233-L237 HydrophobicContact CG1-CG 4.38Å; V233-L237 WeakPolarHBondContact O-CB 3.32Å; V233-L237 WeakPolarHBondContact O-CG 3.39Å; V233-L237 PolarHBondContact O-N 2.67Å; D234-L237 PolarHBondContact O-N 2.99Å; L237-N239 PolarHBondContact O-N 2.86Å; L237-N239 VanDerWaalsContact O-N 3.15Å; L237-G240 PolarHBondContact O-N 3.05Å; L237-G240 VanDerWaalsContact O-N 3.11Å; L237-P243 HydrophobicContact CD2-CB 4.33Å; L237-R270 HydrophobicContact CD1-CG 3.77Å; L237-L271 HydrophobicContact CD1-CD2 4.3Å; L237-V274 HydrophobicContact CD1-CG2 4.18Å; L237-V274 HydrophobicContact CD2-CG2 4Å
238D98.1Very high96.7Very high116 Ų11635.8 Ų35.862%0.6222%0.221SC*.Hα-helixtrans-63.3-20.3178-70.2-12.2000112.4D234 R270D234-D238 WeakPolarHBondContact O-CB 3.21Å; D234-D238 PolarHBondContact O-N 2.85Å; D238-R270 IonicContact OD1-NH2 3.74Å
239N98.3Very high95.7Very high76 Ų7642 Ų4241%0.40624%0.241SC..THydrogen-bonded Turntrans-108.421.4177.6-70.3-85.2000113.6I204 V210 L235 L236 L237I204-N239 HydrophobicContact CG2-CB 3.76Å; V210-N239 HydrophobicContact CG2-CB 4.42Å; L235-N239 WeakPolarHBondContact O-CB 3.48Å; L235-N239 PolarHBondContact O-N 2.85Å; L235-N239 PolarHBondContact O-ND2 3.28Å; L236-N239 CarbonylContact O-C 3.6Å; L236-N239 PolarHBondContact O-N 3.46Å; L237-N239 PolarHBondContact O-N 2.86Å; L237-N239 VanDerWaalsContact O-N 3.15Å
240G97.6Very high94.7Very high50 Ų5045.4 Ų45.452%0.51526%0.261SS..THydrogen-bonded Turntrans85.623.2168.500000115.5N211 L236 L237 N242N211-G240 PolarHBondContact ND2-O 3.08Å; L236-G240 PolarHBondContact O-N 3.26Å; L237-G240 PolarHBondContact O-N 3.05Å; L237-G240 VanDerWaalsContact O-N 3.11Å; G240-N242 PolarHBondContact O-N 3.21Å
241A98.4Very high93.9Very high7 Ų745.3 Ų45.36%0.05826%0.258CS..  trans-60.2133.2164.800000110.2V210 N211 L221 L236 P243V210-A241 HydrophobicContact CG1-CB 3.61Å; N211-A241 WeakPolarHBondContact OD1-CA 3.36Å; L221-A241 HydrophobicContact CB-CB 4.13Å; L221-A241 HydrophobicContact CD2-CB 3.88Å; L221-A241 HydrophobicContact CG-CB 4.43Å; L236-A241 VanDerWaalsContact C-CB 3.5Å; L236-A241 HydrophobicContact CB-CB 3.85Å; L236-A241 WeakPolarHBondContact O-CB 3.49Å; L236-A241 PolarHBondContact O-N 3.2Å; A241-P243 VanDerWaalsContact O-CD 3.25Å; A241-P243 WeakPolarHBondContact O-CD 3.37Å
242N97.8Very high92.9Very high64 Ų6444.4 Ų44.434%0.34225%0.248SC..  trans-86.5109.9-179.3-179.32.2000110.3N211 G240 N244 M245N211-N242 PolarHBondContact OD1-N 2.93Å; G240-N242 PolarHBondContact O-N 3.21Å; N242-N244 PolarHBondContact O-N 3.05Å; N242-N244 PolarHBondContact OD1-N 3.28Å; N242-M245 HydrophobicContact CB-CB 4.15Å; N242-M245 PolarHBondContact O-N 3.45Å
243P97.1Very high92.4Very high13 Ų1345.8 Ų45.88%0.08425%0.254CS..THydrogen-bonded Turntrans-70.6-11.9179.931-36.2000113.7L221 L237 A241 P255 L271 V274L221-P243 HydrophobicContact CD2-CB 4.21Å; L237-P243 HydrophobicContact CD2-CB 4.33Å; A241-P243 VanDerWaalsContact O-CD 3.25Å; A241-P243 WeakPolarHBondContact O-CD 3.37Å; P243-P255 WeakPolarHBondContact O-CD 3.36Å; P243-L271 HydrophobicContact CB-CD2 4.31Å; P243-V274 HydrophobicContact CB-CG2 3.88Å; P243-V274 HydrophobicContact CG-CB 4.14Å; P243-V274 HydrophobicContact CG-CG2 3.84Å; P243-V274 WeakPolarHBondContact CG-O 3.17Å
244N94.9Very high92.3Very high36 Ų3646.3 Ų46.319%0.19326%0.257CS..THydrogen-bonded Turntrans-107.315.9179.7-48.5-66.7000112.1N242 F254 T275 D276N242-N244 PolarHBondContact O-N 3.05Å; N242-N244 PolarHBondContact OD1-N 3.28Å; N244-F254 HydrophobicContact CB-CE2 4.31Å; N244-F254 HydrophobicContact CB-CZ 4.35Å; N244-F254 WeakPolarHBondContact O-CE1 3.25Å; N244-F254 WeakPolarHBondContact O-CZ 3.38Å; N244-T275 WeakPolarHBondContact OD1-CA 3.42Å; N244-T275 WeakPolarHBondContact OD1-CG2 3.23Å; N244-D276 PolarHBondContact OD1-N 3.32Å; N244-D276 VanDerWaalsContact OD1-N 3.07Å; N244-D276 PolarHBondContact OD1-OD1 3.31Å
245M93.9Very high92.2Very high45 Ų4544 Ų4422%0.22225%0.245CC..  trans-75.6125.4174.8-177.1166.9-81.300110.2N211 Q213 T219 N242 C247 F254N211-M245 HydrophobicContact CB-CE 3.9Å; N211-M245 HydrophobicContact CB-SD 4.12Å; Q213-M245 HydrophobicContact CG-SD 4.26Å; T219-M245 HydrophobicContact CG2-CB 4.47Å; T219-M245 HydrophobicContact CG2-CG 4.04Å; T219-M245 HydrophobicContact CG2-SD 3.62Å; N242-M245 HydrophobicContact CB-CB 4.15Å; N242-M245 PolarHBondContact O-N 3.45Å; M245-C247 PolarHBondContact O-N 3.22Å; M245-C247 PolarHBondContact O-SG 2.81Å; M245-F254 WeakPolarHBondContact O-CD1 3.23Å
246A91.2Very high92.1Very high46 Ų4643.1 Ų43.138%0.3824%0.24SC..  trans-67.5125.2177.600000110.9Q213 F254Q213-A246 PolarHBondContact NE2-O 2.95Å; A246-F254 HydrophobicContact CB-CE1 4.19Å
247C90.8Very high91.9Very high3 Ų343.1 Ų43.12%0.0224%0.24CC..  trans-112.311.6-172.7-62.30000113.6L217 T219 L222 M245 Q253L217-C247 CarbonylContact C-O 3.55Å; L217-C247 VanDerWaalsContact O-CA 3.31Å; L217-C247 WeakPolarHBondContact O-CA 3.17Å; T219-C247 PolarHBondContact OG1-SG 3.4Å; L222-C247 HydrophobicContact CB-CB 4.43Å; L222-C247 HydrophobicContact CD1-CB 3.72Å; L222-C247 HydrophobicContact CD2-CB 4.07Å; L222-C247 HydrophobicContact CG-CB 4.28Å; M245-C247 PolarHBondContact O-N 3.22Å; M245-C247 PolarHBondContact O-SG 2.81Å; C247-Q253 WeakPolarHBondContact CB-O 3.38Å; C247-Q253 PolarHBondContact N-O 3.36Å
248S85.9Confident91.8Very high24 Ų2442 Ų4217%0.16823%0.234CC..  trans-149.4153.6175.8172.50000110.6D250 W251S248-D250 PolarHBondContact OG-N 2.77Å; S248-W251 WeakPolarHBondContact CB-O 3.42Å
249K78.4Confident91.8Very high157 Ų15736.5 Ų36.568%0.68321%0.205SC*.SBendtrans-86.3-30.7177.4-66.1176.2-176.7159.60112.5L217L217-K249 HydrophobicContact CD1-CD 4.41Å; L217-K249 HydrophobicContact CD1-CG 3.49Å; L217-K249 VanDerWaalsContact CD1-CG 3.49Å; L217-K249 HydrophobicContact CG-CG 4.21Å
250D77.3Confident91.7Very high127 Ų12732.9 Ų32.968%0.67919%0.185SC*.SBendtrans-82.4-34.8-170.7-62.3-37.4000111.9S248S248-D250 PolarHBondContact OG-N 2.77Å
251W80.7Confident91.5Very high53 Ų5332.9 Ų32.920%0.20117%0.172CC..SBendtrans-152156.217469.8-84.9000109.6S248 Q253 H257 V286 V291S248-W251 WeakPolarHBondContact CB-O 3.42Å; W251-Q253 VanDerWaalsContact C-N 3.3Å; W251-Q253 HydrophobicContact CD2-CB 4.16Å; W251-Q253 HydrophobicContact CE3-CB 4.15Å; W251-Q253 HydrophobicContact CH2-CB 3.69Å; W251-Q253 HydrophobicContact CH2-CG 3.59Å; W251-Q253 HydrophobicContact CZ2-CB 3.65Å; W251-Q253 HydrophobicContact CZ2-CG 3.57Å; W251-Q253 HydrophobicContact CZ3-CB 3.93Å; W251-Q253 HydrophobicContact CZ3-CG 4.28Å; W251-Q253 PolarHBondContact O-N 3.14Å; W251-H257 HydrophobicContact CH2-CB 3.77Å; W251-H257 AromaticContact CH2-CD2 3.48Å; W251-H257 VanDerWaalsContact CH2-CD2 3.48Å; W251-H257 WeakPolarHBondContact CH2-CD2 3.38Å; W251-H257 AromaticContact CH2-CG 3.56Å; W251-H257 HydrophobicContact CZ3-CB 4.44Å; W251-H257 AromaticContact CZ3-CD2 3.44Å; W251-H257 VanDerWaalsContact CZ3-CD2 3.44Å; W251-H257 WeakPolarHBondContact CZ3-CD2 3.36Å; W251-H257 AromaticContact CZ3-CE1 3.91Å; W251-H257 AromaticContact CZ3-CG 3.75Å; W251-H257 AromaticContact CZ3-NE2 3.59Å; W251-V286 HydrophobicContact CB-CG2 4.48Å; W251-V286 HydrophobicContact CD2-CG2 4.46Å; W251-V286 HydrophobicContact CE3-CB 3.71Å; W251-V286 HydrophobicContact CE3-CG1 4.27Å; W251-V286 HydrophobicContact CE3-CG2 3.71Å; W251-V286 HydrophobicContact CZ3-CB 3.81Å; W251-V286 HydrophobicContact CZ3-CG1 4.13Å; W251-V286 HydrophobicContact CZ3-CG2 4.32Å; W251-V291 HydrophobicContact CH2-CG1 4.13Å; W251-V291 HydrophobicContact CZ2-CG1 4.36Å
252P78.6Confident91.3Very high24 Ų2436.2 Ų36.216%0.15619%0.185CC..  trans-76.583.8-175.630.9-34.9000111.4R284 M285P252-R284 WeakPolarHBondContact CG-O 3.34Å; P252-M285 HydrophobicContact CB-CE 3.7Å; P252-M285 HydrophobicContact CB-SD 3.72Å; P252-M285 HydrophobicContact CG-CE 3.92Å; P252-M285 HydrophobicContact CG-SD 3.69Å
253Q88.9Confident91.1Very high31 Ų3134 Ų3415%0.14518%0.178CC..  trans-81.5134.7174.5-170.1178.333.300110.6L222 C247 W251 H257L222-Q253 HydrophobicContact CD1-CG 4Å; C247-Q253 WeakPolarHBondContact CB-O 3.38Å; C247-Q253 PolarHBondContact N-O 3.36Å; W251-Q253 VanDerWaalsContact C-N 3.3Å; W251-Q253 HydrophobicContact CD2-CB 4.16Å; W251-Q253 HydrophobicContact CE3-CB 4.15Å; W251-Q253 HydrophobicContact CH2-CB 3.69Å; W251-Q253 HydrophobicContact CH2-CG 3.59Å; W251-Q253 HydrophobicContact CZ2-CB 3.65Å; W251-Q253 HydrophobicContact CZ2-CG 3.57Å; W251-Q253 HydrophobicContact CZ3-CB 3.93Å; W251-Q253 HydrophobicContact CZ3-CG 4.28Å; W251-Q253 PolarHBondContact O-N 3.14Å; Q253-H257 HydrophobicContact CG-CB 4.16Å
254F95Very high91.2Very high11 Ų1136 Ų365%0.04819%0.186CC..  trans-124.7161176.2-64.7-21.1000110.1N244 M245 A246 I256 H257 C279 M285N244-F254 HydrophobicContact CB-CE2 4.31Å; N244-F254 HydrophobicContact CB-CZ 4.35Å; N244-F254 WeakPolarHBondContact O-CE1 3.25Å; N244-F254 WeakPolarHBondContact O-CZ 3.38Å; M245-F254 WeakPolarHBondContact O-CD1 3.23Å; A246-F254 HydrophobicContact CB-CE1 4.19Å; F254-I256 HydrophobicContact CB-CG2 4.04Å; F254-I256 PolarHBondContact O-N 3.29Å; F254-H257 PolarHBondContact N-ND1 3.4Å; F254-H257 VanDerWaalsContact O-CB 3.26Å; F254-H257 WeakPolarHBondContact O-CB 3.5Å; F254-H257 PolarHBondContact O-N 2.98Å; F254-H257 PolarHBondContact O-ND1 3.38Å; F254-C279 HydrophobicContact CD2-CB 3.99Å; F254-C279 HydrophobicContact CE2-CB 4.17Å; F254-M285 HydrophobicContact CD2-CE 4.11Å; F254-M285 HydrophobicContact CE1-CE 4.02Å; F254-M285 HydrophobicContact CE2-CE 3.23Å; F254-M285 HydrophobicContact CZ-CE 3.18Å; F254-M285 HydrophobicContact CZ-SD 4.41Å
255P96.9Very high91.3Very high0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-48.5-34.8174.4-30.135.5000115L221 L222 P243 H257 A258 A259 L271L221-P255 HydrophobicContact CB-CG 4.16Å; L221-P255 HydrophobicContact CD2-CB 4.23Å; L221-P255 HydrophobicContact CD2-CG 3.81Å; L221-P255 HydrophobicContact CG-CB 3.9Å; L221-P255 HydrophobicContact CG-CG 3.7Å; L222-P255 HydrophobicContact CB-CG 4.28Å; P243-P255 WeakPolarHBondContact O-CD 3.36Å; P255-H257 PolarHBondContact O-N 2.8Å; P255-A258 PolarHBondContact O-N 2.96Å; P255-A259 PolarHBondContact O-N 3.45Å; P255-L271 HydrophobicContact CB-CD1 4Å; P255-L271 HydrophobicContact CB-CD2 4.13Å
256I97.4Very high91.5Very high0 Ų038.8 Ų38.80%021%0.208CC..Hα-helixtrans-62.3-31.2177.6-165.5174.3000112.8F254 A260 L268 L271 I272 T275 P288 Y309F254-I256 HydrophobicContact CB-CG2 4.04Å; F254-I256 PolarHBondContact O-N 3.29Å; I256-A260 VanDerWaalsContact O-CB 3.28Å; I256-A260 WeakPolarHBondContact O-CB 3.45Å; I256-A260 PolarHBondContact O-N 2.88Å; I256-L268 HydrophobicContact CD1-CD1 4.27Å; I256-L268 HydrophobicContact CG1-CD1 3.57Å; I256-L271 HydrophobicContact CB-CB 4.18Å; I256-L271 HydrophobicContact CB-CD1 4.44Å; I256-L271 HydrophobicContact CG1-CB 4.18Å; I256-I272 HydrophobicContact CD1-CG1 3.82Å; I256-T275 HydrophobicContact CD1-CG2 4.49Å; I256-T275 HydrophobicContact CG2-CG2 4.46Å; I256-P288 HydrophobicContact CD1-CG 4.26Å; I256-P288 HydrophobicContact CG1-CB 4.43Å; I256-P288 HydrophobicContact CG1-CG 4.36Å; I256-P288 HydrophobicContact CG2-CB 4.41Å; I256-P288 HydrophobicContact CG2-CG 4.4Å; I256-Y309 WeakPolarHBondContact CD1-OH 3.36Å
257H95Very high91.9Very high0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-67.6-47.3175.7-64.390.3000111W251 Q253 F254 P255 A259 A260 E261 V286 P288 V291W251-H257 HydrophobicContact CH2-CB 3.77Å; W251-H257 AromaticContact CH2-CD2 3.48Å; W251-H257 VanDerWaalsContact CH2-CD2 3.48Å; W251-H257 WeakPolarHBondContact CH2-CD2 3.38Å; W251-H257 AromaticContact CH2-CG 3.56Å; W251-H257 HydrophobicContact CZ3-CB 4.44Å; W251-H257 AromaticContact CZ3-CD2 3.44Å; W251-H257 VanDerWaalsContact CZ3-CD2 3.44Å; W251-H257 WeakPolarHBondContact CZ3-CD2 3.36Å; W251-H257 AromaticContact CZ3-CE1 3.91Å; W251-H257 AromaticContact CZ3-CG 3.75Å; W251-H257 AromaticContact CZ3-NE2 3.59Å; Q253-H257 HydrophobicContact CG-CB 4.16Å; F254-H257 PolarHBondContact N-ND1 3.4Å; F254-H257 VanDerWaalsContact O-CB 3.26Å; F254-H257 WeakPolarHBondContact O-CB 3.5Å; F254-H257 PolarHBondContact O-N 2.98Å; F254-H257 PolarHBondContact O-ND1 3.38Å; P255-H257 PolarHBondContact O-N 2.8Å; H257-A259 PolarHBondContact O-N 3.05Å; H257-A260 PolarHBondContact O-N 3.41Å; H257-E261 VanDerWaalsContact O-CB 3.27Å; H257-E261 WeakPolarHBondContact O-CB 3.43Å; H257-E261 PolarHBondContact O-N 3.06Å; H257-V286 PolarHBondContact CE1-O 3.07Å; H257-V286 PolarHBondContact NE2-O 3.28Å; H257-P288 VanDerWaalsContact CD2-CA 3.49Å; H257-P288 WeakPolarHBondContact CD2-CA 3.41Å; H257-V291 HydrophobicContact CB-CG2 4.11Å; H257-V291 WeakPolarHBondContact O-CG2 3.26Å
258A95.3Very high92.3Very high0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-59.9-47.3176.800000111.1L222 Q226 P255 A260 E261 F262L222-A258 HydrophobicContact CD1-CB 4.24Å; L222-A258 HydrophobicContact CG-CB 4.4Å; Q226-A258 HydrophobicContact CB-CB 4.02Å; P255-A258 PolarHBondContact O-N 2.96Å; A258-A260 VanDerWaalsContact C-N 3.27Å; A258-A260 PolarHBondContact O-N 3.3Å; A258-E261 PolarHBondContact O-N 2.88Å; A258-F262 VanDerWaalsContact O-CD2 3.3Å; A258-F262 WeakPolarHBondContact O-CD2 3.32Å; A258-F262 PolarHBondContact O-N 2.77Å
259A97.8Very high92.8Very high0 Ų040.5 Ų40.50%020%0.2CC..Hα-helixtrans-59.3-38.6176.800000112.7P255 H257 G263 H264 I267 L268 L271P255-A259 PolarHBondContact O-N 3.45Å; H257-A259 PolarHBondContact O-N 3.05Å; A259-G263 PolarHBondContact O-N 3.4Å; A259-H264 PolarHBondContact O-N 3.3Å; A259-I267 HydrophobicContact CB-CB 4.28Å; A259-I267 HydrophobicContact CB-CG2 3.71Å; A259-L268 HydrophobicContact CB-CB 4.06Å; A259-L268 HydrophobicContact CB-CD1 4.47Å; A259-L271 HydrophobicContact CB-CD1 3.81Å
260A96.5Very high93.8Very high0 Ų036.4 Ų36.40%018%0.181CC..Hα-helixtrans-70.9-42.9178.600000112.9I256 H257 A258 G263 L268 P288 V291 A292 Q297 S300 L304I256-A260 VanDerWaalsContact O-CB 3.28Å; I256-A260 WeakPolarHBondContact O-CB 3.45Å; I256-A260 PolarHBondContact O-N 2.88Å; H257-A260 PolarHBondContact O-N 3.41Å; A258-A260 VanDerWaalsContact C-N 3.27Å; A258-A260 PolarHBondContact O-N 3.3Å; A260-G263 PolarHBondContact O-N 3.17Å; A260-L268 HydrophobicContact CB-CD1 4.06Å; A260-L268 HydrophobicContact CB-CD2 4.27Å; A260-P288 HydrophobicContact CB-CB 3.97Å; A260-V291 HydrophobicContact CB-CG2 4.28Å; A260-A292 HydrophobicContact CB-CB 4.28Å; A260-Q297 WeakPolarHBondContact O-CB 3.33Å; A260-Q297 WeakPolarHBondContact O-CG 3.42Å; A260-S300 WeakPolarHBondContact O-CB 3.37Å; A260-S300 PolarHBondContact O-OG 3.1Å; A260-L304 HydrophobicContact CB-CD1 4.29Å
261E93.7Very high94.8Very high49 Ų4930.4 Ų30.423%0.22915%0.148CC..Hα-helixtrans-65.9-40.1-179.1-172.9175.5179.900113H257 A258 V291 S295 Q297H257-E261 VanDerWaalsContact O-CB 3.27Å; H257-E261 WeakPolarHBondContact O-CB 3.43Å; H257-E261 PolarHBondContact O-N 3.06Å; A258-E261 PolarHBondContact O-N 2.88Å; E261-V291 HydrophobicContact CB-CB 3.97Å; E261-V291 HydrophobicContact CB-CG2 4.02Å; E261-V291 HydrophobicContact CG-CB 4.21Å; E261-S295 WeakPolarHBondContact CG-OG 3.39Å; E261-S295 VanDerWaalsContact O-CB 3.23Å; E261-S295 WeakPolarHBondContact O-CB 3.28Å; E261-Q297 WeakPolarHBondContact O-CG 3.32Å; E261-Q297 PolarHBondContact O-NE2 3.49Å; E261-Q297 VanDerWaalsContact O-NE2 3.14Å
262F93.4Very high95.5Very high77 Ų7728.4 Ų28.434%0.33814%0.141SC..THydrogen-bonded Turntrans-93.6-1.3-178.8-69-89.2000113.4Q226 A258Q226-F262 HydrophobicContact CB-CD2 4.46Å; Q226-F262 HydrophobicContact CB-CE2 4.5Å; Q226-F262 HydrophobicContact CG-CD2 3.76Å; Q226-F262 HydrophobicContact CG-CE1 4.3Å; Q226-F262 HydrophobicContact CG-CE2 3.5Å; Q226-F262 HydrophobicContact CG-CG 4.29Å; Q226-F262 HydrophobicContact CG-CZ 3.78Å; A258-F262 VanDerWaalsContact O-CD2 3.3Å; A258-F262 WeakPolarHBondContact O-CD2 3.32Å; A258-F262 PolarHBondContact O-N 2.77Å
263G95.3Very high96.4Very high19 Ų1933.2 Ų33.220%0.19616%0.162CC..THydrogen-bonded Turntrans78.620.8171.800000115A259 A260 I265A259-G263 PolarHBondContact O-N 3.4Å; A260-G263 PolarHBondContact O-N 3.17Å; G263-I265 VanDerWaalsContact C-N 3.33Å; G263-I265 WeakPolarHBondContact O-CG1 3.49Å; G263-I265 PolarHBondContact O-N 2.97Å
264H98.1Very high96.7Very high55 Ų5534.1 Ų34.126%0.25517%0.17SC..  trans-80.676.9-178.5-62.9-56.2000111.4S225 Q226 G228 A259 S266 I267 L268S225-H264 PolarHBondContact O-CD2 3.35Å; Q226-H264 PolarHBondContact O-CD2 3.02Å; Q226-H264 VanDerWaalsContact O-CD2 3.31Å; Q226-H264 PolarHBondContact O-NE2 3.18Å; G228-H264 WeakPolarHBondContact CA-CE1 3.44Å; G228-H264 WeakPolarHBondContact CA-NE2 3.29Å; G228-H264 PolarHBondContact N-NE2 3.19Å; A259-H264 PolarHBondContact O-N 3.3Å; H264-S266 VanDerWaalsContact C-N 3.32Å; H264-S266 PolarHBondContact O-N 2.66Å; H264-I267 HydrophobicContact CB-CB 4.06Å; H264-I267 HydrophobicContact CB-CD1 4.03Å; H264-I267 HydrophobicContact CB-CG1 4.31Å; H264-I267 PolarHBondContact O-N 3.34Å; H264-I267 VanDerWaalsContact O-N 3.1Å; H264-L268 WeakPolarHBondContact O-CB 3.4Å; H264-L268 PolarHBondContact O-N 3.08Å
265I98.1Very high96.7Very high58 Ų5834.1 Ų34.130%0.29717%0.17SC..Hα-helixtrans-56.2-39-169-54-51.5000114.1G263 R269 S300 L303G263-I265 VanDerWaalsContact C-N 3.33Å; G263-I265 WeakPolarHBondContact O-CG1 3.49Å; G263-I265 PolarHBondContact O-N 2.97Å; I265-R269 WeakPolarHBondContact O-CB 3.48Å; I265-R269 PolarHBondContact O-N 3.48Å; I265-S300 VanDerWaalsContact CD1-N 3.34Å; I265-L303 HydrophobicContact CG2-CD2 3.88Å
266S98.3Very high96.4Very high81 Ų8138.3 Ų38.357%0.56619%0.193SC*.Hα-helixtrans-67.3-42.8179-58.30000111.9H264 R269 R270H264-S266 VanDerWaalsContact C-N 3.32Å; H264-S266 PolarHBondContact O-N 2.66Å; S266-R269 PolarHBondContact O-N 3.07Å; S266-R270 PolarHBondContact O-N 2.84Å
267I98.6Very high96Very high3 Ų343.1 Ų43.12%0.01521%0.211CC..Hα-helixtrans-66.8-45.4176.4-65.6177.8000109.5G228 Q230 V233 A259 H264 R269 R270 L271G228-I267 VanDerWaalsContact C-CD1 3.48Å; Q230-I267 HydrophobicContact CB-CG1 4.26Å; V233-I267 HydrophobicContact CG1-CG2 4.21Å; V233-I267 HydrophobicContact CG2-CD1 4.04Å; V233-I267 HydrophobicContact CG2-CG1 4.33Å; V233-I267 HydrophobicContact CG2-CG2 4.05Å; A259-I267 HydrophobicContact CB-CB 4.28Å; A259-I267 HydrophobicContact CB-CG2 3.71Å; H264-I267 HydrophobicContact CB-CB 4.06Å; H264-I267 HydrophobicContact CB-CD1 4.03Å; H264-I267 HydrophobicContact CB-CG1 4.31Å; H264-I267 PolarHBondContact O-N 3.34Å; H264-I267 VanDerWaalsContact O-N 3.1Å; I267-R269 VanDerWaalsContact C-N 3.32Å; I267-R269 PolarHBondContact O-N 3.23Å; I267-R270 WeakPolarHBondContact O-CB 3.41Å; I267-R270 PolarHBondContact O-N 3.19Å; I267-R270 VanDerWaalsContact O-N 3.11Å; I267-L271 HydrophobicContact CG2-CD1 3.68Å; I267-L271 HydrophobicContact CG2-CG 4.22Å; I267-L271 WeakPolarHBondContact O-CB 3.37Å; I267-L271 WeakPolarHBondContact O-CG 3.27Å; I267-L271 PolarHBondContact O-N 3.06Å
268L98.4Very high95.6Very high0 Ų045.8 Ų45.80%023%0.227CC..Hα-helixtrans-57-46.5176.8178.857.8000111.1I256 A259 A260 H264 R270 L271 I272 L303 L304I256-L268 HydrophobicContact CD1-CD1 4.27Å; I256-L268 HydrophobicContact CG1-CD1 3.57Å; A259-L268 HydrophobicContact CB-CB 4.06Å; A259-L268 HydrophobicContact CB-CD1 4.47Å; A260-L268 HydrophobicContact CB-CD1 4.06Å; A260-L268 HydrophobicContact CB-CD2 4.27Å; H264-L268 WeakPolarHBondContact O-CB 3.4Å; H264-L268 PolarHBondContact O-N 3.08Å; L268-R270 VanDerWaalsContact C-N 3.33Å; L268-R270 PolarHBondContact O-N 3.34Å; L268-L271 PolarHBondContact O-N 3.03Å; L268-I272 HydrophobicContact CD1-CD1 4.17Å; L268-I272 HydrophobicContact CD1-CG1 4.29Å; L268-I272 HydrophobicContact CG-CD1 4.02Å; L268-I272 VanDerWaalsContact O-CG1 3.23Å; L268-I272 WeakPolarHBondContact O-CG1 3.3Å; L268-I272 PolarHBondContact O-N 2.92Å; L268-L303 HydrophobicContact CB-CD2 4.25Å; L268-L303 HydrophobicContact CD2-CB 4.49Å; L268-L303 HydrophobicContact CD2-CD2 4.02Å; L268-L303 HydrophobicContact CG-CD2 3.94Å; L268-L304 HydrophobicContact CD1-CD2 4.18Å; L268-L304 HydrophobicContact CD2-CG 4.34Å
269R98.1Very high95.2Very high105 Ų10545.8 Ų45.840%0.39623%0.227SC..Hα-helixtrans-56.8-48174.4-178-178.4-54.6-65.7-9.5111.3I265 S266 I267 L271 I272 E273 L303 E307I265-R269 WeakPolarHBondContact O-CB 3.48Å; I265-R269 PolarHBondContact O-N 3.48Å; S266-R269 PolarHBondContact O-N 3.07Å; I267-R269 VanDerWaalsContact C-N 3.32Å; I267-R269 PolarHBondContact O-N 3.23Å; R269-L271 VanDerWaalsContact C-N 3.34Å; R269-L271 PolarHBondContact O-N 3.3Å; R269-I272 PolarHBondContact O-N 3.18Å; R269-E273 PolarHBondContact O-N 3.38Å; R269-L303 HydrophobicContact CB-CD2 4.02Å; R269-E307 IonicContact NH1-OE1 3.56Å
270R98Very high94.6Very high72 Ų7246.5 Ų46.527%0.27223%0.231SC..Hα-helixtrans-62-42.2179.7-17857.3177.9154.91.2111.9L237 D238 S266 I267 L268 E273L237-R270 HydrophobicContact CD1-CG 3.77Å; D238-R270 IonicContact OD1-NH2 3.74Å; S266-R270 PolarHBondContact O-N 2.84Å; I267-R270 WeakPolarHBondContact O-CB 3.41Å; I267-R270 PolarHBondContact O-N 3.19Å; I267-R270 VanDerWaalsContact O-N 3.11Å; L268-R270 VanDerWaalsContact C-N 3.33Å; L268-R270 PolarHBondContact O-N 3.34Å; R270-E273 IonicContact CZ-OE2 2.7Å; R270-E273 IonicContact NH1-OE2 2.7Å; R270-E273 PolarHBondContact NH1-OE2 2.78Å; R270-E273 WeakPolarHBondContact O-CB 3.37Å; R270-E273 PolarHBondContact O-N 3.45Å
271L97.9Very high94.1Very high0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-68.3-36.8179.1-70.6170.7000112.3L221 L237 P243 P255 I256 A259 I267 L268 R269 E273 V274 T275L221-L271 HydrophobicContact CD1-CD2 4.5Å; L221-L271 HydrophobicContact CD2-CD2 4.46Å; L237-L271 HydrophobicContact CD1-CD2 4.3Å; P243-L271 HydrophobicContact CB-CD2 4.31Å; P255-L271 HydrophobicContact CB-CD1 4Å; P255-L271 HydrophobicContact CB-CD2 4.13Å; I256-L271 HydrophobicContact CB-CB 4.18Å; I256-L271 HydrophobicContact CB-CD1 4.44Å; I256-L271 HydrophobicContact CG1-CB 4.18Å; A259-L271 HydrophobicContact CB-CD1 3.81Å; I267-L271 HydrophobicContact CG2-CD1 3.68Å; I267-L271 HydrophobicContact CG2-CG 4.22Å; I267-L271 WeakPolarHBondContact O-CB 3.37Å; I267-L271 WeakPolarHBondContact O-CG 3.27Å; I267-L271 PolarHBondContact O-N 3.06Å; L268-L271 PolarHBondContact O-N 3.03Å; R269-L271 VanDerWaalsContact C-N 3.34Å; R269-L271 PolarHBondContact O-N 3.3Å; L271-E273 PolarHBondContact O-N 3.32Å; L271-V274 HydrophobicContact CD2-CG2 4.36Å; L271-V274 WeakPolarHBondContact O-CG2 3.5Å; L271-V274 PolarHBondContact O-N 3.11Å; L271-V274 VanDerWaalsContact O-N 3.13Å; L271-T275 VanDerWaalsContact O-CB 3.29Å; L271-T275 WeakPolarHBondContact O-CB 3.37Å; L271-T275 PolarHBondContact O-N 3.04Å; L271-T275 PolarHBondContact O-OG1 3.05Å
272I96.9Very high93.5Very high11 Ų1152.3 Ų52.36%0.05626%0.258CS..Hα-helixtrans-57.3-35174.4-71.7164.8000111.5I256 L268 R269 V274 L303 L304 E307 Y309I256-I272 HydrophobicContact CD1-CG1 3.82Å; L268-I272 HydrophobicContact CD1-CD1 4.17Å; L268-I272 HydrophobicContact CD1-CG1 4.29Å; L268-I272 HydrophobicContact CG-CD1 4.02Å; L268-I272 VanDerWaalsContact O-CG1 3.23Å; L268-I272 WeakPolarHBondContact O-CG1 3.3Å; L268-I272 PolarHBondContact O-N 2.92Å; R269-I272 PolarHBondContact O-N 3.18Å; I272-V274 VanDerWaalsContact C-N 3.33Å; I272-V274 PolarHBondContact O-N 3.31Å; I272-L303 HydrophobicContact CD1-CD2 4.18Å; I272-L303 HydrophobicContact CD1-CG 4.02Å; I272-L304 HydrophobicContact CD1-CD2 4.03Å; I272-L304 HydrophobicContact CG1-CD2 4.38Å; I272-E307 HydrophobicContact CD1-CB 4.37Å; I272-E307 HydrophobicContact CD1-CG 4.14Å; I272-E307 HydrophobicContact CG2-CB 3.97Å; I272-E307 HydrophobicContact CG2-CG 4.16Å; I272-Y309 HydrophobicContact CD1-CE2 4.49Å; I272-Y309 HydrophobicContact CG1-CE2 4.07Å; I272-Y309 HydrophobicContact CG2-CE2 4.32Å
273E96Very high92.9Very high125 Ų12557.6 Ų57.658%0.58428%0.284SS*.Hα-helixtrans-69.2-28.2179.2-65169.9-179.300113.5R269 R270 L271R269-E273 PolarHBondContact O-N 3.38Å; R270-E273 IonicContact CZ-OE2 2.7Å; R270-E273 IonicContact NH1-OE2 2.7Å; R270-E273 PolarHBondContact NH1-OE2 2.78Å; R270-E273 WeakPolarHBondContact O-CB 3.37Å; R270-E273 PolarHBondContact O-N 3.45Å; L271-E273 PolarHBondContact O-N 3.32Å
274V96.6Very high92.1Very high51 Ų5167.2 Ų67.231%0.30931%0.314SS..Hα-helixtrans-111.8-13-171.4-61.10000114.1L237 P243 L271 I272L237-V274 HydrophobicContact CD1-CG2 4.18Å; L237-V274 HydrophobicContact CD2-CG2 4Å; P243-V274 HydrophobicContact CB-CG2 3.88Å; P243-V274 HydrophobicContact CG-CB 4.14Å; P243-V274 HydrophobicContact CG-CG2 3.84Å; P243-V274 WeakPolarHBondContact CG-O 3.17Å; L271-V274 HydrophobicContact CD2-CG2 4.36Å; L271-V274 WeakPolarHBondContact O-CG2 3.5Å; L271-V274 PolarHBondContact O-N 3.11Å; L271-V274 VanDerWaalsContact O-N 3.13Å; I272-V274 VanDerWaalsContact C-N 3.33Å; I272-V274 PolarHBondContact O-N 3.31Å
275T94.2Very high91.4Very high10 Ų1066 Ų666%0.06131%0.309CS..SBendtrans-79.7141.4178-54.30000109.8N244 I256 L271 R277N244-T275 WeakPolarHBondContact OD1-CA 3.42Å; N244-T275 WeakPolarHBondContact OD1-CG2 3.23Å; I256-T275 HydrophobicContact CD1-CG2 4.49Å; I256-T275 HydrophobicContact CG2-CG2 4.46Å; L271-T275 VanDerWaalsContact O-CB 3.29Å; L271-T275 WeakPolarHBondContact O-CB 3.37Å; L271-T275 PolarHBondContact O-N 3.04Å; L271-T275 PolarHBondContact O-OG1 3.05Å; T275-R277 PolarHBondContact O-N 3.31Å; T275-R277 VanDerWaalsContact O-N 3.11Å
276D91.1Very high90.9Very high89 Ų8963.4 Ų63.448%0.47630%0.296SS..  trans-77.47.3-177.466.111.2000114.4N244 T278N244-D276 PolarHBondContact OD1-N 3.32Å; N244-D276 VanDerWaalsContact OD1-N 3.07Å; N244-D276 PolarHBondContact OD1-OD1 3.31Å; D276-T278 HydrophobicContact CB-CG2 4.42Å; D276-T278 PolarHBondContact O-N 2.88Å; D276-T278 VanDerWaalsContact O-N 3.09Å; D276-T278 WeakPolarHBondContact OD1-CB 3.16Å; D276-T278 WeakPolarHBondContact OD1-CG2 3.43Å; D276-T278 PolarHBondContact OD1-N 3.24Å; D276-T278 PolarHBondContact OD1-OG1 3.43Å; D276-T278 WeakPolarHBondContact OD2-CG2 3.46Å
277R88Confident90.6Very high100 Ų10059.5 Ų59.538%0.37727%0.269SS..SBendtrans57.610.3-175.1-60.3-171.8176.2-154.5-4.6115.4T275 C279 D280 E307T275-R277 PolarHBondContact O-N 3.31Å; T275-R277 VanDerWaalsContact O-N 3.11Å; R277-C279 PolarHBondContact O-N 3.35Å; R277-C279 VanDerWaalsContact O-N 3.16Å; R277-D280 PolarHBondContact O-N 3.16Å; R277-E307 VanDerWaalsContact CZ-O 3.23Å; R277-E307 PolarHBondContact NH1-O 3.24Å; R277-E307 PolarHBondContact NH2-O 2.94Å
278T87.6Confident90.4Very high56 Ų5659.4 Ų59.434%0.34427%0.268SS..Hα-helixtrans-58.7-29174.656.30000112D276 D280 G282 M285D276-T278 HydrophobicContact CB-CG2 4.42Å; D276-T278 PolarHBondContact O-N 2.88Å; D276-T278 VanDerWaalsContact O-N 3.09Å; D276-T278 WeakPolarHBondContact OD1-CB 3.16Å; D276-T278 WeakPolarHBondContact OD1-CG2 3.43Å; D276-T278 PolarHBondContact OD1-N 3.24Å; D276-T278 PolarHBondContact OD1-OG1 3.43Å; D276-T278 WeakPolarHBondContact OD2-CG2 3.46Å; T278-D280 VanDerWaalsContact C-N 3.26Å; T278-D280 PolarHBondContact O-N 3.32Å; T278-G282 WeakPolarHBondContact O-CA 3.47Å; T278-G282 PolarHBondContact O-N 3.25Å; T278-M285 WeakPolarHBondContact O-CB 3.19Å; T278-M285 WeakPolarHBondContact O-CG 3.31Å
279C85.8Confident90.1Very high0 Ų059.4 Ų59.40%027%0.268CS..Hα-helixtrans-62.2-27.6174.860.80000114.1F254 R277 M285 V286 S287 Q314F254-C279 HydrophobicContact CD2-CB 3.99Å; F254-C279 HydrophobicContact CE2-CB 4.17Å; R277-C279 PolarHBondContact O-N 3.35Å; R277-C279 VanDerWaalsContact O-N 3.16Å; C279-M285 HydrophobicContact CB-CE 4.29Å; C279-V286 WeakPolarHBondContact CB-O 3.5Å; C279-V286 CarbonylContact O-C 3.57Å; C279-S287 WeakPolarHBondContact O-CA 3.38Å; C279-S287 PolarHBondContact O-N 3.17Å; C279-S287 VanDerWaalsContact O-N 3.14Å; C279-Q314 PolarHBondContact O-NE2 3.14Å
280D86.5Confident89.7Confident15 Ų1554.6 Ų54.68%0.0825%0.25CC..Hα-helixtrans-69.2-49.9-174.2-171.536.4000112.7R277 T278 S287 Y309 S310 Q314R277-D280 PolarHBondContact O-N 3.16Å; T278-D280 VanDerWaalsContact C-N 3.26Å; T278-D280 PolarHBondContact O-N 3.32Å; D280-S287 PolarHBondContact OD1-OG 2.82Å; D280-Y309 HydrophobicContact CB-CD1 3.78Å; D280-Y309 HydrophobicContact CB-CE1 3.91Å; D280-Y309 WeakPolarHBondContact OD1-CD1 3.43Å; D280-S310 PolarHBondContact OD1-N 3.37Å; D280-S310 PolarHBondContact OD2-N 3.4Å; D280-Q314 PolarHBondContact O-NE2 3.12Å; D280-Q314 PolarHBondContact O-OE1 3.4Å
281R84.6Confident89.2Confident149 Ų14952 Ų5256%0.56224%0.242SC*.Hα-helixtrans-140.413.5-176.6-48.9-168.491.2166.410.7114.8A313R281-A313 PolarHBondContact NE-O 3.08Å; R281-A313 VanDerWaalsContact NE-O 3.13Å; R281-A313 PolarHBondContact NH2-O 2.99Å; R281-A313 VanDerWaalsContact NH2-O 3.14Å
282G83.1Confident88.9Confident22 Ų2252 Ų5223%0.22724%0.242CC..  trans-63.6148.9177.500000111.9T278 R284 M285T278-G282 WeakPolarHBondContact O-CA 3.47Å; T278-G282 PolarHBondContact O-N 3.25Å; G282-R284 PolarHBondContact O-N 3.18Å; G282-M285 WeakPolarHBondContact O-CB 3.44Å; G282-M285 PolarHBondContact O-N 3.04Å; G282-M285 VanDerWaalsContact O-N 3.14Å
283E79.2Confident88.6Confident189 Ų18951.8 Ų51.888%0.88324%0.241SC*.THydrogen-bonded Turntrans-59.6131.1174-68.4-175.1-178.700110.3M285E283-M285 PolarHBondContact O-N 3.24Å; E283-M285 VanDerWaalsContact O-N 3.08Å
284R78.4Confident88.1Confident221 Ų22148.3 Ų48.383%0.83422%0.224SC*.THydrogen-bonded Turntrans61.37.6-177.1-53-179178.6173.8-0.4115.3P252 G282P252-R284 WeakPolarHBondContact CG-O 3.34Å; G282-R284 PolarHBondContact O-N 3.18Å
285M85Confident87.5Confident28 Ų2847.9 Ų47.914%0.13822%0.224CC..  trans-85.1165.1172.9-63.2-55.9-61.300110.9P252 F254 T278 C279 G282 E283 Q314 Y316P252-M285 HydrophobicContact CB-CE 3.7Å; P252-M285 HydrophobicContact CB-SD 3.72Å; P252-M285 HydrophobicContact CG-CE 3.92Å; P252-M285 HydrophobicContact CG-SD 3.69Å; F254-M285 HydrophobicContact CD2-CE 4.11Å; F254-M285 HydrophobicContact CE1-CE 4.02Å; F254-M285 HydrophobicContact CE2-CE 3.23Å; F254-M285 HydrophobicContact CZ-CE 3.18Å; F254-M285 HydrophobicContact CZ-SD 4.41Å; T278-M285 WeakPolarHBondContact O-CB 3.19Å; T278-M285 WeakPolarHBondContact O-CG 3.31Å; C279-M285 HydrophobicContact CB-CE 4.29Å; G282-M285 WeakPolarHBondContact O-CB 3.44Å; G282-M285 PolarHBondContact O-N 3.04Å; G282-M285 VanDerWaalsContact O-N 3.14Å; E283-M285 PolarHBondContact O-N 3.24Å; E283-M285 VanDerWaalsContact O-N 3.08Å; M285-Q314 VanDerWaalsContact O-CD 3.31Å; M285-Q314 WeakPolarHBondContact O-CG 3.33Å; M285-Q314 PolarHBondContact O-NE2 2.93Å; M285-Y316 WeakPolarHBondContact O-CE2 3.16Å
286V86.4Confident87.2Confident4 Ų452.2 Ų52.22%0.02425%0.246CC..  trans-119.8137.5170.8-179.60000108.4W251 H257 C279 Y290 Q314 Y316W251-V286 HydrophobicContact CB-CG2 4.48Å; W251-V286 HydrophobicContact CD2-CG2 4.46Å; W251-V286 HydrophobicContact CE3-CB 3.71Å; W251-V286 HydrophobicContact CE3-CG1 4.27Å; W251-V286 HydrophobicContact CE3-CG2 3.71Å; W251-V286 HydrophobicContact CZ3-CB 3.81Å; W251-V286 HydrophobicContact CZ3-CG1 4.13Å; W251-V286 HydrophobicContact CZ3-CG2 4.32Å; H257-V286 PolarHBondContact CE1-O 3.07Å; H257-V286 PolarHBondContact NE2-O 3.28Å; C279-V286 WeakPolarHBondContact CB-O 3.5Å; C279-V286 CarbonylContact O-C 3.57Å; V286-Y290 HydrophobicContact CG1-CD2 4Å; V286-Y290 HydrophobicContact CG1-CG 4.41Å; V286-Q314 VanDerWaalsContact C-NE2 3.28Å; V286-Q314 VanDerWaalsContact CA-NE2 3.28Å; V286-Y316 HydrophobicContact CG2-CD1 4Å; V286-Y316 HydrophobicContact CG2-CD2 4.17Å; V286-Y316 HydrophobicContact CG2-CE1 3.39Å; V286-Y316 HydrophobicContact CG2-CE2 3.62Å; V286-Y316 HydrophobicContact CG2-CG 4.34Å; V286-Y316 WeakPolarHBondContact CG2-OH 3.28Å
287S92.4Very high87.3Confident0 Ų050.8 Ų50.80%024%0.237CC..  trans-76.9138.6174.7-179.90000110.7C279 D280 L289 Y290 Q314C279-S287 WeakPolarHBondContact O-CA 3.38Å; C279-S287 PolarHBondContact O-N 3.17Å; C279-S287 VanDerWaalsContact O-N 3.14Å; D280-S287 PolarHBondContact OD1-OG 2.82Å; S287-L289 PolarHBondContact O-N 3.01Å; S287-L289 WeakPolarHBondContact OG-CB 3.43Å; S287-L289 PolarHBondContact OG-N 3Å; S287-Y290 PolarHBondContact O-N 3.25Å; S287-Q314 VanDerWaalsContact CB-OE1 3.24Å; S287-Q314 VanDerWaalsContact N-NE2 3.17Å; S287-Q314 VanDerWaalsContact N-OE1 3.09Å
288P93.5Very high87.5Confident0 Ų048.3 Ų48.30%023%0.233CC..Hα-helixtrans-60.2-14.5173.826.3-35.7000113.1I256 H257 A260 Y290 V291 A292 L304 Y309I256-P288 HydrophobicContact CD1-CG 4.26Å; I256-P288 HydrophobicContact CG1-CB 4.43Å; I256-P288 HydrophobicContact CG1-CG 4.36Å; I256-P288 HydrophobicContact CG2-CB 4.41Å; I256-P288 HydrophobicContact CG2-CG 4.4Å; H257-P288 VanDerWaalsContact CD2-CA 3.49Å; H257-P288 WeakPolarHBondContact CD2-CA 3.41Å; A260-P288 HydrophobicContact CB-CB 3.97Å; P288-Y290 VanDerWaalsContact C-N 3.28Å; P288-Y290 PolarHBondContact O-N 3.18Å; P288-V291 WeakPolarHBondContact O-CG2 3.37Å; P288-V291 PolarHBondContact O-N 3.19Å; P288-A292 WeakPolarHBondContact O-CB 3.32Å; P288-A292 PolarHBondContact O-N 3.39Å; P288-A292 VanDerWaalsContact O-N 3.12Å; P288-L304 HydrophobicContact CB-CD1 4.14Å; P288-L304 HydrophobicContact CB-CD2 4.44Å; P288-L304 HydrophobicContact CG-CD1 4.16Å; P288-L304 HydrophobicContact CG-CD2 3.82Å; P288-Y309 HydrophobicContact CG-CD1 4.06Å; P288-Y309 HydrophobicContact CG-CE1 3.6Å
289L93.3Very high87.8Confident0 Ų047.2 Ų47.20%023%0.233CC..Hα-helixtrans-61.8-34.9173.8-168.160.9000112.4S287 A292 I293 I301 L304 L305 S310 P325 L345S287-L289 PolarHBondContact O-N 3.01Å; S287-L289 WeakPolarHBondContact OG-CB 3.43Å; S287-L289 PolarHBondContact OG-N 3Å; L289-A292 PolarHBondContact O-N 3Å; L289-I293 HydrophobicContact CD1-CD1 4.36Å; L289-I293 HydrophobicContact CG-CD1 3.94Å; L289-I293 WeakPolarHBondContact O-CD1 3.31Å; L289-I293 VanDerWaalsContact O-CG1 3.25Å; L289-I293 WeakPolarHBondContact O-CG1 3.43Å; L289-I293 PolarHBondContact O-N 3.19Å; L289-I301 HydrophobicContact CD1-CB 4.41Å; L289-I301 HydrophobicContact CD1-CG1 4.37Å; L289-I301 HydrophobicContact CD1-CG2 4.02Å; L289-L304 HydrophobicContact CB-CD1 4.44Å; L289-L304 HydrophobicContact CD1-CB 4.47Å; L289-L304 HydrophobicContact CD1-CD1 4.34Å; L289-L305 HydrophobicContact CD1-CD2 4.36Å; L289-L305 HydrophobicContact CD1-CG 4.39Å; L289-L305 HydrophobicContact CD2-CD2 4.08Å; L289-S310 WeakPolarHBondContact CD2-O 3.38Å; L289-P325 HydrophobicContact CD2-CB 4Å; L289-P325 HydrophobicContact CD2-CG 3.97Å; L289-P325 HydrophobicContact CG-CB 4.24Å; L289-P325 HydrophobicContact CG-CG 4.47Å; L289-L345 HydrophobicContact CD1-CD2 4.49Å; L289-L345 HydrophobicContact CD2-CD2 3.86Å; L289-L345 HydrophobicContact CG-CD2 4.42Å
290Y88.7Confident88.3Confident4 Ų447.2 Ų47.22%0.01623%0.233CC..Hα-helixtrans-62.6-49.3178.5-82.3-76.3000112.1V286 S287 P288 I293 H294 A313 Q314 L320 S324 P325 L328V286-Y290 HydrophobicContact CG1-CD2 4Å; V286-Y290 HydrophobicContact CG1-CG 4.41Å; S287-Y290 PolarHBondContact O-N 3.25Å; P288-Y290 VanDerWaalsContact C-N 3.28Å; P288-Y290 PolarHBondContact O-N 3.18Å; Y290-I293 PolarHBondContact O-N 3.47Å; Y290-H294 WeakPolarHBondContact O-CB 3.04Å; Y290-H294 PolarHBondContact O-N 2.8Å; Y290-A313 HydrophobicContact CD2-CB 4.41Å; Y290-A313 HydrophobicContact CE2-CB 3.78Å; Y290-Q314 PolarHBondContact OH-O 2.78Å; Y290-Q314 VanDerWaalsContact OH-O 3.09Å; Y290-L320 HydrophobicContact CD1-CD1 4.21Å; Y290-L320 HydrophobicContact CG-CD1 4.31Å; Y290-S324 WeakPolarHBondContact OH-CA 3.48Å; Y290-P325 HydrophobicContact CE1-CG 4.28Å; Y290-P325 HydrophobicContact CE2-CG 4.14Å; Y290-L328 HydrophobicContact CD1-CD2 3.79Å; Y290-L328 WeakPolarHBondContact O-CD2 3.28Å
291V88.4Confident88.8Confident18 Ų1846.5 Ų46.511%0.10923%0.23CC..Hα-helixtrans-69.8-34.6-180-62.30000111.8W251 H257 A260 E261 P288 I293 H294 S295W251-V291 HydrophobicContact CH2-CG1 4.13Å; W251-V291 HydrophobicContact CZ2-CG1 4.36Å; H257-V291 HydrophobicContact CB-CG2 4.11Å; H257-V291 WeakPolarHBondContact O-CG2 3.26Å; A260-V291 HydrophobicContact CB-CG2 4.28Å; E261-V291 HydrophobicContact CB-CB 3.97Å; E261-V291 HydrophobicContact CB-CG2 4.02Å; E261-V291 HydrophobicContact CG-CB 4.21Å; P288-V291 WeakPolarHBondContact O-CG2 3.37Å; P288-V291 PolarHBondContact O-N 3.19Å; V291-I293 VanDerWaalsContact C-N 3.34Å; V291-I293 PolarHBondContact O-N 3.05Å; V291-H294 PolarHBondContact O-N 3.45Å; V291-S295 PolarHBondContact O-N 3.27Å
292A92.1Very high89.3Confident0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-61.7-40.8173.300000112.2A260 P288 L289 D296 Q297 I301 L304A260-A292 HydrophobicContact CB-CB 4.28Å; P288-A292 WeakPolarHBondContact O-CB 3.32Å; P288-A292 PolarHBondContact O-N 3.39Å; P288-A292 VanDerWaalsContact O-N 3.12Å; L289-A292 PolarHBondContact O-N 3Å; A292-D296 PolarHBondContact O-N 3.15Å; A292-Q297 PolarHBondContact O-N 3.06Å; A292-I301 HydrophobicContact CB-CG1 3.79Å; A292-L304 HydrophobicContact CB-CD1 4.36Å
293I89.7Confident90Very high7 Ų744.4 Ų44.44%0.03622%0.22CC..Hα-helixtrans-71.2-42.2175.7-68.5160.9000111.1L289 Y290 V291 S295 D296 I301 P325 L328 A329 L345L289-I293 HydrophobicContact CD1-CD1 4.36Å; L289-I293 HydrophobicContact CG-CD1 3.94Å; L289-I293 WeakPolarHBondContact O-CD1 3.31Å; L289-I293 VanDerWaalsContact O-CG1 3.25Å; L289-I293 WeakPolarHBondContact O-CG1 3.43Å; L289-I293 PolarHBondContact O-N 3.19Å; Y290-I293 PolarHBondContact O-N 3.47Å; V291-I293 VanDerWaalsContact C-N 3.34Å; V291-I293 PolarHBondContact O-N 3.05Å; I293-S295 PolarHBondContact O-N 3.27Å; I293-D296 PolarHBondContact O-N 3.02Å; I293-D296 VanDerWaalsContact O-N 3.16Å; I293-I301 HydrophobicContact CB-CD1 4.48Å; I293-I301 HydrophobicContact CG1-CD1 3.72Å; I293-I301 HydrophobicContact CG1-CG1 4.07Å; I293-P325 HydrophobicContact CD1-CB 3.49Å; I293-P325 VanDerWaalsContact CD1-CB 3.49Å; I293-L328 HydrophobicContact CB-CD2 4.3Å; I293-L328 HydrophobicContact CG2-CD2 4.06Å; I293-L328 HydrophobicContact CG2-CG 4.06Å; I293-A329 HydrophobicContact CG2-CB 3.79Å; I293-L345 HydrophobicContact CD1-CD1 3.79Å; I293-L345 HydrophobicContact CD1-CD2 4.28Å; I293-L345 HydrophobicContact CD1-CG 4.48Å
294H85.3Confident90.8Very high51 Ų5135.4 Ų35.424%0.23618%0.178CC..Hα-helixtrans-56.2-43.1179.5-17389000111.5Y290 V291 R332Y290-H294 WeakPolarHBondContact O-CB 3.04Å; Y290-H294 PolarHBondContact O-N 2.8Å; V291-H294 PolarHBondContact O-N 3.45Å; H294-R332 PolarHBondContact O-NH2 2.82Å
295S84.6Confident91.6Very high42 Ų4226.1 Ų26.129%0.29415%0.145SC..THydrogen-bonded Turntrans-93.69.8-178.6-60.50000114.2E261 V291 I293 Q297E261-S295 WeakPolarHBondContact CG-OG 3.39Å; E261-S295 VanDerWaalsContact O-CB 3.23Å; E261-S295 WeakPolarHBondContact O-CB 3.28Å; V291-S295 PolarHBondContact O-N 3.27Å; I293-S295 PolarHBondContact O-N 3.27Å; S295-Q297 PolarHBondContact O-N 2.89Å
296D88.4Confident92.1Very high101 Ų10132 Ų3254%0.5417%0.17SC..THydrogen-bonded Turntrans55.132.9178-156.634.7000114.7A292 I293 T298 S341A292-D296 PolarHBondContact O-N 3.15Å; I293-D296 PolarHBondContact O-N 3.02Å; I293-D296 VanDerWaalsContact O-N 3.16Å; D296-T298 PolarHBondContact O-N 3.45Å; D296-S341 PolarHBondContact OD1-OG 3.28Å
297Q91.5Very high92.5Very high59 Ų5934.5 Ų34.528%0.27618%0.181SC..  trans-81.778-178.9-61-62.9-9.500111.5A260 E261 A292 S295 G299 S300 I301A260-Q297 WeakPolarHBondContact O-CB 3.33Å; A260-Q297 WeakPolarHBondContact O-CG 3.42Å; E261-Q297 WeakPolarHBondContact O-CG 3.32Å; E261-Q297 PolarHBondContact O-NE2 3.49Å; E261-Q297 VanDerWaalsContact O-NE2 3.14Å; A292-Q297 PolarHBondContact O-N 3.06Å; S295-Q297 PolarHBondContact O-N 2.89Å; Q297-G299 PolarHBondContact O-N 2.98Å; Q297-S300 WeakPolarHBondContact O-CB 3.5Å; Q297-S300 PolarHBondContact O-N 3.3Å; Q297-I301 WeakPolarHBondContact O-CG1 3.31Å; Q297-I301 PolarHBondContact O-N 3.07Å
298T92.4Very high92.5Very high48 Ų4840.7 Ų40.729%0.29421%0.214SC..Hα-helixtrans-53.6-39.3-177.1-58.30000112.8D296 I301 Q302 E340 L344D296-T298 PolarHBondContact O-N 3.45Å; T298-I301 PolarHBondContact O-N 3.37Å; T298-Q302 WeakPolarHBondContact O-CB 3.2Å; T298-Q302 PolarHBondContact O-N 3.03Å; T298-E340 HydrophobicContact CG2-CB 3.91Å; T298-L344 HydrophobicContact CG2-CD1 3.7Å
299G95.1Very high92.5Very high34 Ų3440.9 Ų40.935%0.35122%0.215SC..Hα-helixtrans-65.1-39.4177.400000113.2Q297 L303Q297-G299 PolarHBondContact O-N 2.98Å; G299-L303 WeakPolarHBondContact O-CB 3.37Å; G299-L303 PolarHBondContact O-N 3.48Å
300S96.2Very high92.4Very high0 Ų041.5 Ų41.50%022%0.22CC..Hα-helixtrans-67.1-44.9176.5-60.20000110.9A260 I265 Q297 Q302 L303 L304A260-S300 WeakPolarHBondContact O-CB 3.37Å; A260-S300 PolarHBondContact O-OG 3.1Å; I265-S300 VanDerWaalsContact CD1-N 3.34Å; Q297-S300 WeakPolarHBondContact O-CB 3.5Å; Q297-S300 PolarHBondContact O-N 3.3Å; S300-Q302 PolarHBondContact O-N 2.91Å; S300-L303 PolarHBondContact O-N 2.87Å; S300-L304 WeakPolarHBondContact O-CB 3.26Å; S300-L304 VanDerWaalsContact O-CG 3.3Å; S300-L304 WeakPolarHBondContact O-CG 3.35Å; S300-L304 PolarHBondContact O-N 2.88Å
301I95.7Very high92.5Very high0 Ų042.1 Ų42.10%022%0.224CC..Hα-helixtrans-58.1-50.7176.2-62.5168.3000109.9L289 A292 I293 Q297 T298 L303 L304 L305 S341 L344L289-I301 HydrophobicContact CD1-CB 4.41Å; L289-I301 HydrophobicContact CD1-CG1 4.37Å; L289-I301 HydrophobicContact CD1-CG2 4.02Å; A292-I301 HydrophobicContact CB-CG1 3.79Å; I293-I301 HydrophobicContact CB-CD1 4.48Å; I293-I301 HydrophobicContact CG1-CD1 3.72Å; I293-I301 HydrophobicContact CG1-CG1 4.07Å; Q297-I301 WeakPolarHBondContact O-CG1 3.31Å; Q297-I301 PolarHBondContact O-N 3.07Å; T298-I301 PolarHBondContact O-N 3.37Å; I301-L303 VanDerWaalsContact C-N 3.31Å; I301-L303 PolarHBondContact O-N 3.2Å; I301-L304 PolarHBondContact O-N 3.23Å; I301-L305 HydrophobicContact CG2-CD1 3.69Å; I301-L305 HydrophobicContact CG2-CG 4.37Å; I301-L305 WeakPolarHBondContact O-CB 3.25Å; I301-L305 VanDerWaalsContact O-CG 3.23Å; I301-L305 WeakPolarHBondContact O-CG 3.36Å; I301-L305 PolarHBondContact O-N 3.12Å; I301-S341 WeakPolarHBondContact CD1-OG 3.32Å; I301-L344 HydrophobicContact CB-CD1 4.07Å; I301-L344 HydrophobicContact CG2-CB 3.92Å; I301-L344 HydrophobicContact CG2-CD1 3.74Å
302Q96.1Very high92.5Very high118 Ų11842.8 Ų42.855%0.55123%0.227SC*.Hα-helixtrans-61.1-40.9-179.6-172.4-179.112.200111.9T298 S300 K306 L344T298-Q302 WeakPolarHBondContact O-CB 3.2Å; T298-Q302 PolarHBondContact O-N 3.03Å; S300-Q302 PolarHBondContact O-N 2.91Å; Q302-K306 VanDerWaalsContact O-CB 3.23Å; Q302-K306 WeakPolarHBondContact O-CB 3.48Å; Q302-K306 PolarHBondContact O-N 3.17Å; Q302-L344 HydrophobicContact CB-CD1 4.15Å; Q302-L344 HydrophobicContact CB-CD2 4.37Å; Q302-L344 HydrophobicContact CG-CD2 4.34Å
303L97.4Very high92.4Very high9 Ų942.9 Ų42.95%0.04723%0.228CC..Hα-helixtrans-67-49.2178.4-179.859.6000111.6I265 L268 R269 I272 G299 S300 I301 L305 K306 E307I265-L303 HydrophobicContact CG2-CD2 3.88Å; L268-L303 HydrophobicContact CB-CD2 4.25Å; L268-L303 HydrophobicContact CD2-CB 4.49Å; L268-L303 HydrophobicContact CD2-CD2 4.02Å; L268-L303 HydrophobicContact CG-CD2 3.94Å; R269-L303 HydrophobicContact CB-CD2 4.02Å; I272-L303 HydrophobicContact CD1-CD2 4.18Å; I272-L303 HydrophobicContact CD1-CG 4.02Å; G299-L303 WeakPolarHBondContact O-CB 3.37Å; G299-L303 PolarHBondContact O-N 3.48Å; S300-L303 PolarHBondContact O-N 2.87Å; I301-L303 VanDerWaalsContact C-N 3.31Å; I301-L303 PolarHBondContact O-N 3.2Å; L303-L305 PolarHBondContact O-N 2.89Å; L303-K306 WeakPolarHBondContact O-CB 3.29Å; L303-K306 PolarHBondContact O-N 3.27Å; L303-K306 VanDerWaalsContact O-N 3.15Å; L303-E307 HydrophobicContact CD1-CG 3.93Å; L303-E307 HydrophobicContact CG-CG 4.45Å; L303-E307 WeakPolarHBondContact O-CG 3.35Å; L303-E307 PolarHBondContact O-N 3.3Å
304L96.6Very high92.1Very high0 Ų043.4 Ų43.40%023%0.23CC..Hα-helixtrans-57.2-49.1179.4-73.5168.3000111.2A260 L268 I272 P288 L289 A292 S300 I301 K306 E307 Y309A260-L304 HydrophobicContact CB-CD1 4.29Å; L268-L304 HydrophobicContact CD1-CD2 4.18Å; L268-L304 HydrophobicContact CD2-CG 4.34Å; I272-L304 HydrophobicContact CD1-CD2 4.03Å; I272-L304 HydrophobicContact CG1-CD2 4.38Å; P288-L304 HydrophobicContact CB-CD1 4.14Å; P288-L304 HydrophobicContact CB-CD2 4.44Å; P288-L304 HydrophobicContact CG-CD1 4.16Å; P288-L304 HydrophobicContact CG-CD2 3.82Å; L289-L304 HydrophobicContact CB-CD1 4.44Å; L289-L304 HydrophobicContact CD1-CB 4.47Å; L289-L304 HydrophobicContact CD1-CD1 4.34Å; A292-L304 HydrophobicContact CB-CD1 4.36Å; S300-L304 WeakPolarHBondContact O-CB 3.26Å; S300-L304 VanDerWaalsContact O-CG 3.3Å; S300-L304 WeakPolarHBondContact O-CG 3.35Å; S300-L304 PolarHBondContact O-N 2.88Å; I301-L304 PolarHBondContact O-N 3.23Å; L304-K306 VanDerWaalsContact C-N 3.28Å; L304-K306 PolarHBondContact O-N 3.35Å; L304-E307 CarbonylContact O-C 3.43Å; L304-E307 PolarHBondContact O-N 3.46Å; L304-E307 VanDerWaalsContact O-N 3.16Å; L304-Y309 HydrophobicContact CB-CD2 4.3Å; L304-Y309 HydrophobicContact CB-CG 4.17Å; L304-Y309 HydrophobicContact CD2-CD1 4Å; L304-Y309 HydrophobicContact CD2-CD2 3.7Å; L304-Y309 HydrophobicContact CD2-CE1 4.05Å; L304-Y309 HydrophobicContact CD2-CE2 3.75Å; L304-Y309 HydrophobicContact CD2-CG 3.84Å; L304-Y309 WeakPolarHBondContact O-CB 3.15Å; L304-Y309 WeakPolarHBondContact O-CD2 3.31Å; L304-Y309 PolarHBondContact O-N 2.93Å
305L95.1Very high91.7Very high25 Ų2546.8 Ų46.813%0.13125%0.25CC..Hα-helixtrans-64.4-32.6178.8-64.6173.8000112.6L289 I301 L303 P311 L344 L345 A348L289-L305 HydrophobicContact CD1-CD2 4.36Å; L289-L305 HydrophobicContact CD1-CG 4.39Å; L289-L305 HydrophobicContact CD2-CD2 4.08Å; I301-L305 HydrophobicContact CG2-CD1 3.69Å; I301-L305 HydrophobicContact CG2-CG 4.37Å; I301-L305 WeakPolarHBondContact O-CB 3.25Å; I301-L305 VanDerWaalsContact O-CG 3.23Å; I301-L305 WeakPolarHBondContact O-CG 3.36Å; I301-L305 PolarHBondContact O-N 3.12Å; L303-L305 PolarHBondContact O-N 2.89Å; L305-P311 HydrophobicContact CD2-CB 3.82Å; L305-L344 HydrophobicContact CD1-CB 3.98Å; L305-L345 HydrophobicContact CD1-CD2 4.36Å; L305-L345 HydrophobicContact CD2-CD2 4.39Å; L305-A348 HydrophobicContact CB-CB 4.13Å; L305-A348 HydrophobicContact CD1-CB 3.82Å; L305-A348 HydrophobicContact CD2-CB 3.82Å; L305-A348 HydrophobicContact CG-CB 4.13Å
306K95.4Very high91Very high152 Ų15245.6 Ų45.666%0.66124%0.239SC*.Hα-helixtrans-70.2-32.1175.6-177.3-178.2175.7-172.40112.4Q302 L303 L304 D308Q302-K306 VanDerWaalsContact O-CB 3.23Å; Q302-K306 WeakPolarHBondContact O-CB 3.48Å; Q302-K306 PolarHBondContact O-N 3.17Å; L303-K306 WeakPolarHBondContact O-CB 3.29Å; L303-K306 PolarHBondContact O-N 3.27Å; L303-K306 VanDerWaalsContact O-N 3.15Å; L304-K306 VanDerWaalsContact C-N 3.28Å; L304-K306 PolarHBondContact O-N 3.35Å; K306-D308 PolarHBondContact O-N 2.81Å
307E94.9Very high89.9Confident57 Ų5742.5 Ų42.527%0.26623%0.227SC..THydrogen-bonded Turntrans-90.524.4179.4-59.2-64.7151.700112.3R269 I272 R277 L303 L304 Y309R269-E307 IonicContact NH1-OE1 3.56Å; I272-E307 HydrophobicContact CD1-CB 4.37Å; I272-E307 HydrophobicContact CD1-CG 4.14Å; I272-E307 HydrophobicContact CG2-CB 3.97Å; I272-E307 HydrophobicContact CG2-CG 4.16Å; R277-E307 VanDerWaalsContact CZ-O 3.23Å; R277-E307 PolarHBondContact NH1-O 3.24Å; R277-E307 PolarHBondContact NH2-O 2.94Å; L303-E307 HydrophobicContact CD1-CG 3.93Å; L303-E307 HydrophobicContact CG-CG 4.45Å; L303-E307 WeakPolarHBondContact O-CG 3.35Å; L303-E307 PolarHBondContact O-N 3.3Å; L304-E307 CarbonylContact O-C 3.43Å; L304-E307 PolarHBondContact O-N 3.46Å; L304-E307 VanDerWaalsContact O-N 3.16Å; E307-Y309 PolarHBondContact O-N 3.25Å
308D91.4Very high88.7Confident129 Ų12947.7 Ų47.769%0.6926%0.257SS*.THydrogen-bonded Turntrans65.526.7176.7-55.7-50.8000115.9K306K306-D308 PolarHBondContact O-N 2.81Å
309Y93.6Very high87.3Confident4 Ų450.4 Ų50.42%0.01627%0.269CS..  trans-68.9138.5164-80.4-107.2000110.3I256 I272 D280 P288 L304 E307I256-Y309 WeakPolarHBondContact CD1-OH 3.36Å; I272-Y309 HydrophobicContact CD1-CE2 4.49Å; I272-Y309 HydrophobicContact CG1-CE2 4.07Å; I272-Y309 HydrophobicContact CG2-CE2 4.32Å; D280-Y309 HydrophobicContact CB-CD1 3.78Å; D280-Y309 HydrophobicContact CB-CE1 3.91Å; D280-Y309 WeakPolarHBondContact OD1-CD1 3.43Å; P288-Y309 HydrophobicContact CG-CD1 4.06Å; P288-Y309 HydrophobicContact CG-CE1 3.6Å; L304-Y309 HydrophobicContact CB-CD2 4.3Å; L304-Y309 HydrophobicContact CB-CG 4.17Å; L304-Y309 HydrophobicContact CD2-CD1 4Å; L304-Y309 HydrophobicContact CD2-CD2 3.7Å; L304-Y309 HydrophobicContact CD2-CE1 4.05Å; L304-Y309 HydrophobicContact CD2-CE2 3.75Å; L304-Y309 HydrophobicContact CD2-CG 3.84Å; L304-Y309 WeakPolarHBondContact O-CB 3.15Å; L304-Y309 WeakPolarHBondContact O-CD2 3.31Å; L304-Y309 PolarHBondContact O-N 2.93Å; E307-Y309 PolarHBondContact O-N 3.25Å
310S92Very high85.8Confident14 Ų1450.4 Ų50.410%0.09826%0.261CS..  trans-65.8124.8-177.7177.20000111.3D280 L289 D312 A313D280-S310 PolarHBondContact OD1-N 3.37Å; D280-S310 PolarHBondContact OD2-N 3.4Å; L289-S310 WeakPolarHBondContact CD2-O 3.38Å; S310-D312 PolarHBondContact O-N 3.25Å; S310-D312 PolarHBondContact OG-N 3.33Å; S310-A313 PolarHBondContact O-N 3.32Å; S310-A313 PolarHBondContact OG-N 3.25Å
311P91.6Very high84.5Confident17 Ų1752.9 Ų52.911%0.1129%0.286CS..THydrogen-bonded Turntrans-66.4-20.3175.129.6-36.8000112.8L305 P325 L345 A348 A350L305-P311 HydrophobicContact CD2-CB 3.82Å; P311-P325 WeakPolarHBondContact O-CG 3.36Å; P311-L345 HydrophobicContact CB-CD2 4.16Å; P311-A348 HydrophobicContact CB-CB 4.06Å; P311-A348 HydrophobicContact CG-CB 4.33Å; P311-A350 HydrophobicContact CB-CB 4.06Å
312D88.4Confident83.4Confident32 Ų3254.1 Ų54.117%0.17129%0.291CS..THydrogen-bonded Turntrans-88.6-17174.8-61-47.8000112.6S310 P325 A350 T351S310-D312 PolarHBondContact O-N 3.25Å; S310-D312 PolarHBondContact OG-N 3.33Å; D312-P325 VanDerWaalsContact C-CD 3.49Å; D312-P325 WeakPolarHBondContact O-CD 3.47Å; D312-A350 WeakPolarHBondContact OD1-CA 3.4Å; D312-T351 VanDerWaalsContact CG-OG1 3.25Å; D312-T351 WeakPolarHBondContact OD1-CB 3.48Å; D312-T351 PolarHBondContact OD1-N 3.32Å; D312-T351 PolarHBondContact OD1-OG1 2.73Å; D312-T351 WeakPolarHBondContact OD2-CG2 3.47Å
313A88.3Confident82.4Confident2 Ų249.9 Ų49.92%0.01727%0.274CS..  trans46.5-149.2-172.400000112.9R281 Y290 S310 P325R281-A313 PolarHBondContact NE-O 3.08Å; R281-A313 VanDerWaalsContact NE-O 3.13Å; R281-A313 PolarHBondContact NH2-O 2.99Å; R281-A313 VanDerWaalsContact NH2-O 3.14Å; Y290-A313 HydrophobicContact CD2-CB 4.41Å; Y290-A313 HydrophobicContact CE2-CB 3.78Å; S310-A313 PolarHBondContact O-N 3.32Å; S310-A313 PolarHBondContact OG-N 3.25Å; A313-P325 HydrophobicContact CB-CG 3.47Å; A313-P325 VanDerWaalsContact CB-CG 3.47Å
314Q83.8Confident81.9Confident18 Ų1849.7 Ų49.78%0.08427%0.273CS..  trans-91153166.663-81.479.400111.5C279 D280 M285 V286 S287 Y290 Y316C279-Q314 PolarHBondContact O-NE2 3.14Å; D280-Q314 PolarHBondContact O-NE2 3.12Å; D280-Q314 PolarHBondContact O-OE1 3.4Å; M285-Q314 VanDerWaalsContact O-CD 3.31Å; M285-Q314 WeakPolarHBondContact O-CG 3.33Å; M285-Q314 PolarHBondContact O-NE2 2.93Å; V286-Q314 VanDerWaalsContact C-NE2 3.28Å; V286-Q314 VanDerWaalsContact CA-NE2 3.28Å; S287-Q314 VanDerWaalsContact CB-OE1 3.24Å; S287-Q314 VanDerWaalsContact N-NE2 3.17Å; S287-Q314 VanDerWaalsContact N-OE1 3.09Å; Y290-Q314 PolarHBondContact OH-O 2.78Å; Y290-Q314 VanDerWaalsContact OH-O 3.09Å; Q314-Y316 HydrophobicContact CG-CD2 4.23Å; Q314-Y316 PolarHBondContact O-N 2.98Å
315D76.5Confident81.5Confident121 Ų12149.7 Ų49.765%0.64727%0.273SS*.  trans-69.1120.2166.7-172.4-8.9000108.9A317D315-A317 VanDerWaalsContact OD1-CB 3.32Å; D315-A317 WeakPolarHBondContact OD1-CB 3.49Å; D315-A317 PolarHBondContact OD1-N 3.5Å
316Y69.8Low81.2Confident17 Ų1748.5 Ų48.57%0.06727%0.267CS..BIsolated β-bridgetrans-130.429.5-177.9-146.2-105.6000111.6M285 V286 Q314 D318 I319 L320 F322M285-Y316 WeakPolarHBondContact O-CE2 3.16Å; V286-Y316 HydrophobicContact CG2-CD1 4Å; V286-Y316 HydrophobicContact CG2-CD2 4.17Å; V286-Y316 HydrophobicContact CG2-CE1 3.39Å; V286-Y316 HydrophobicContact CG2-CE2 3.62Å; V286-Y316 HydrophobicContact CG2-CG 4.34Å; V286-Y316 WeakPolarHBondContact CG2-OH 3.28Å; Q314-Y316 HydrophobicContact CG-CD2 4.23Å; Q314-Y316 PolarHBondContact O-N 2.98Å; Y316-D318 VanDerWaalsContact C-N 3.27Å; Y316-D318 PolarHBondContact O-N 2.85Å; Y316-I319 HydrophobicContact CD1-CB 3.85Å; Y316-I319 HydrophobicContact CD1-CG2 4.3Å; Y316-I319 HydrophobicContact CE1-CB 3.42Å; Y316-I319 VanDerWaalsContact CE1-CB 3.42Å; Y316-I319 HydrophobicContact CE1-CD1 3.77Å; Y316-I319 HydrophobicContact CE1-CG1 4.14Å; Y316-I319 HydrophobicContact CE1-CG2 3.54Å; Y316-I319 HydrophobicContact CE2-CD1 3.99Å; Y316-I319 PolarHBondContact O-N 2.98Å; Y316-I319 WeakPolarHBondContact OH-CD1 3.49Å; Y316-L320 HydrophobicContact CD1-CB 4.18Å; Y316-L320 HydrophobicContact CD1-CD1 3.67Å; Y316-L320 HydrophobicContact CD1-CG 3.69Å; Y316-L320 HydrophobicContact CE1-CD1 4.21Å; Y316-L320 HydrophobicContact CE1-CG 4.07Å; Y316-L320 PolarHBondContact O-N 3.21Å; Y316-F322 CarbonylContact C-O 3.56Å
317A67.3Low80.6Confident36 Ų3641.4 Ų41.430%0.29824%0.236SC..Hα-helixtrans-58.7-34.4-179.100000113.4D315 I319 G321 F322 P323D315-A317 VanDerWaalsContact OD1-CB 3.32Å; D315-A317 WeakPolarHBondContact OD1-CB 3.49Å; D315-A317 PolarHBondContact OD1-N 3.5Å; A317-I319 VanDerWaalsContact C-N 3.27Å; A317-I319 PolarHBondContact O-N 3.08Å; A317-G321 WeakPolarHBondContact O-CA 3.29Å; A317-G321 PolarHBondContact O-N 3.12Å; A317-F322 PolarHBondContact N-O 3.33Å; A317-P323 HydrophobicContact CB-CB 4.26Å
318D64.4Low80Confident169 Ų16939.1 Ų39.190%0.90423%0.226SC*.Hα-helixtrans-65.1-26.9-175.3-70.7-26000113.9Y316Y316-D318 VanDerWaalsContact C-N 3.27Å; Y316-D318 PolarHBondContact O-N 2.85Å
319I63.5Low79.7Confident104 Ų10433 Ų3353%0.53319%0.194SC..Hα-helixtrans-111.6-49.9-173.6-65.2167.7000111.4Y316 A317Y316-I319 HydrophobicContact CD1-CB 3.85Å; Y316-I319 HydrophobicContact CD1-CG2 4.3Å; Y316-I319 HydrophobicContact CE1-CB 3.42Å; Y316-I319 VanDerWaalsContact CE1-CB 3.42Å; Y316-I319 HydrophobicContact CE1-CD1 3.77Å; Y316-I319 HydrophobicContact CE1-CG1 4.14Å; Y316-I319 HydrophobicContact CE1-CG2 3.54Å; Y316-I319 HydrophobicContact CE2-CD1 3.99Å; Y316-I319 PolarHBondContact O-N 2.98Å; Y316-I319 WeakPolarHBondContact OH-CD1 3.49Å; A317-I319 VanDerWaalsContact C-N 3.27Å; A317-I319 PolarHBondContact O-N 3.08Å
320L63.3Low79Confident35 Ų3533 Ų3318%0.18319%0.194CC..Hα-helixtrans-90-10.3-178.6-71.3173000112.8Y290 Y316 F322Y290-L320 HydrophobicContact CD1-CD1 4.21Å; Y290-L320 HydrophobicContact CG-CD1 4.31Å; Y316-L320 HydrophobicContact CD1-CB 4.18Å; Y316-L320 HydrophobicContact CD1-CD1 3.67Å; Y316-L320 HydrophobicContact CD1-CG 3.69Å; Y316-L320 HydrophobicContact CE1-CD1 4.21Å; Y316-L320 HydrophobicContact CE1-CG 4.07Å; Y316-L320 PolarHBondContact O-N 3.21Å; L320-F322 HydrophobicContact CB-CD2 4.41Å; L320-F322 WeakPolarHBondContact O-CD2 3.42Å; L320-F322 VanDerWaalsContact O-CE2 3.31Å; L320-F322 WeakPolarHBondContact O-CE2 3.34Å; L320-F322 PolarHBondContact O-N 3.44Å
321G68.8Low78.1Confident51 Ų5134 Ų3453%0.52620%0.197SC..SBendtrans73.96.6-176.100000114.3A317A317-G321 WeakPolarHBondContact O-CA 3.29Å; A317-G321 PolarHBondContact O-N 3.12Å
322F73.3Confident77Confident26 Ų2639.5 Ų39.511%0.11422%0.216CC..BIsolated β-bridgetrans-125.7124.3-179.9-57.6-71.5000110.8Y316 A317 L320 S324 L328 H331 Y551Y316-F322 CarbonylContact C-O 3.56Å; A317-F322 PolarHBondContact N-O 3.33Å; L320-F322 HydrophobicContact CB-CD2 4.41Å; L320-F322 WeakPolarHBondContact O-CD2 3.42Å; L320-F322 VanDerWaalsContact O-CE2 3.31Å; L320-F322 WeakPolarHBondContact O-CE2 3.34Å; L320-F322 PolarHBondContact O-N 3.44Å; F322-S324 VanDerWaalsContact C-N 3.29Å; F322-S324 PolarHBondContact O-N 2.95Å; F322-L328 HydrophobicContact CB-CB 4.3Å; F322-L328 HydrophobicContact CD2-CB 4.42Å; F322-L328 HydrophobicContact CD2-CD1 3.69Å; F322-L328 HydrophobicContact CE2-CD1 3.7Å; F322-L328 HydrophobicContact CG-CB 4.21Å; F322-L328 HydrophobicContact CG-CD1 4.24Å; F322-L328 HydrophobicContact CZ-CD1 4.25Å; F322-H331 AromaticContact CD1-ND1 3.73Å; F322-H331 HydrophobicContact CE1-CB 3.72Å; F322-H331 AromaticContact CE1-CD2 3.93Å; F322-H331 AromaticContact CE1-CG 3.48Å; F322-H331 VanDerWaalsContact CE1-CG 3.48Å; F322-H331 AromaticContact CE1-ND1 3.58Å; F322-H331 HydrophobicContact CZ-CB 4.29Å; F322-Y551 HydrophobicContact CE2-CE2 4.47Å
323P75.3Confident75.7Confident29 Ų2938.4 Ų38.419%0.18821%0.21CC..SBendtrans-76.5-14.9-176.531.5-37.3000113.7A317 E355A317-P323 HydrophobicContact CB-CB 4.26Å; P323-E355 WeakPolarHBondContact CG-OE2 3.41Å
324S86.1Confident74Confident5 Ų541 Ų414%0.03523%0.228CC..SBendtrans-152.6156.7-17676.10000112.1Y290 F322 L326 S327 L328 E356Y290-S324 WeakPolarHBondContact OH-CA 3.48Å; F322-S324 VanDerWaalsContact C-N 3.29Å; F322-S324 PolarHBondContact O-N 2.95Å; S324-L326 PolarHBondContact O-N 2.93Å; S324-L326 PolarHBondContact OG-N 3.31Å; S324-S327 PolarHBondContact O-N 3.32Å; S324-S327 WeakPolarHBondContact OG-CB 3.47Å; S324-S327 PolarHBondContact OG-N 2.96Å; S324-L328 PolarHBondContact O-N 2.9Å; S324-L328 VanDerWaalsContact O-N 3.08Å; S324-E356 PolarHBondContact OG-OE1 3.14Å
325P88.8Confident72.4Confident0 Ų045.7 Ų45.70%026%0.258CS..Hα-helixtrans-58-34.5170.3-2534.8000112.5L289 Y290 I293 P311 D312 A313 L328 A329 L345L289-P325 HydrophobicContact CD2-CB 4Å; L289-P325 HydrophobicContact CD2-CG 3.97Å; L289-P325 HydrophobicContact CG-CB 4.24Å; L289-P325 HydrophobicContact CG-CG 4.47Å; Y290-P325 HydrophobicContact CE1-CG 4.28Å; Y290-P325 HydrophobicContact CE2-CG 4.14Å; I293-P325 HydrophobicContact CD1-CB 3.49Å; I293-P325 VanDerWaalsContact CD1-CB 3.49Å; P311-P325 WeakPolarHBondContact O-CG 3.36Å; D312-P325 VanDerWaalsContact C-CD 3.49Å; D312-P325 WeakPolarHBondContact O-CD 3.47Å; A313-P325 HydrophobicContact CB-CG 3.47Å; A313-P325 VanDerWaalsContact CB-CG 3.47Å; P325-L328 PolarHBondContact O-N 2.98Å; P325-A329 WeakPolarHBondContact O-CB 3.39Å; P325-A329 PolarHBondContact O-N 2.85Å; P325-L345 HydrophobicContact CB-CD1 4.4Å; P325-L345 HydrophobicContact CB-CD2 4.25Å
326L88Confident71.3Confident1 Ų147.5 Ų47.51%0.00526%0.26CS..Hα-helixtrans-67.3-44.5176.7-175.759.3000111.4S324 L328 A329 L330 V342 L345 L346 A350 L352 E356S324-L326 PolarHBondContact O-N 2.93Å; S324-L326 PolarHBondContact OG-N 3.31Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L326-L328 PolarHBondContact O-N 2.86Å; L326-A329 PolarHBondContact O-N 3.34Å; L326-L330 HydrophobicContact CD1-CG 4.42Å; L326-L330 HydrophobicContact CG-CD1 4.4Å; L326-L330 VanDerWaalsContact O-CG 3.29Å; L326-L330 WeakPolarHBondContact O-CG 3.38Å; L326-L330 PolarHBondContact O-N 3.36Å; L326-V342 HydrophobicContact CD1-CG1 4.19Å; L326-L345 HydrophobicContact CB-CD1 4.31Å; L326-L345 HydrophobicContact CD1-CB 4.24Å; L326-L345 HydrophobicContact CD1-CD1 4.17Å; L326-L346 HydrophobicContact CD2-CD2 4.2Å; L326-A350 HydrophobicContact CB-CB 4.4Å; L326-A350 HydrophobicContact CD2-CB 3.97Å; L326-L352 HydrophobicContact CD2-CD2 3.76Å; L326-E356 HydrophobicContact CD2-CG 3.99Å; L326-E356 HydrophobicContact CG-CG 4.02Å
327S82.8Confident70.4Confident2 Ų247.2 Ų47.21%0.01426%0.26CS..Hα-helixtrans-57.6-46.1173.6172.40000110.8S324 A329 L330 H331 E355S324-S327 PolarHBondContact O-N 3.32Å; S324-S327 WeakPolarHBondContact OG-CB 3.47Å; S324-S327 PolarHBondContact OG-N 2.96Å; S327-A329 PolarHBondContact O-N 3.26Å; S327-L330 PolarHBondContact O-N 3.46Å; S327-H331 PolarHBondContact O-N 3Å; S327-H331 PolarHBondContact O-ND1 3.46Å; S327-H331 PolarHBondContact OG-CE1 3.31Å; S327-H331 VanDerWaalsContact OG-CE1 3.31Å; S327-H331 PolarHBondContact OG-ND1 3.36Å; S327-E355 PolarHBondContact OG-OE1 3.44Å
328L83.3Confident70Confident9 Ų947.8 Ų47.85%0.04726%0.262CS..Hα-helixtrans-58.2-47.2175.5175.564.2000111.8Y290 I293 F322 S324 P325 L326 L330 H331 R332Y290-L328 HydrophobicContact CD1-CD2 3.79Å; Y290-L328 WeakPolarHBondContact O-CD2 3.28Å; I293-L328 HydrophobicContact CB-CD2 4.3Å; I293-L328 HydrophobicContact CG2-CD2 4.06Å; I293-L328 HydrophobicContact CG2-CG 4.06Å; F322-L328 HydrophobicContact CB-CB 4.3Å; F322-L328 HydrophobicContact CD2-CB 4.42Å; F322-L328 HydrophobicContact CD2-CD1 3.69Å; F322-L328 HydrophobicContact CE2-CD1 3.7Å; F322-L328 HydrophobicContact CG-CB 4.21Å; F322-L328 HydrophobicContact CG-CD1 4.24Å; F322-L328 HydrophobicContact CZ-CD1 4.25Å; S324-L328 PolarHBondContact O-N 2.9Å; S324-L328 VanDerWaalsContact O-N 3.08Å; P325-L328 PolarHBondContact O-N 2.98Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L326-L328 PolarHBondContact O-N 2.86Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 3.11Å; L328-H331 PolarHBondContact O-N 2.86Å; L328-R332 HydrophobicContact CD1-CG 4.25Å; L328-R332 WeakPolarHBondContact O-CG 3.34Å; L328-R332 PolarHBondContact O-N 2.88Å
329A84.8Confident70.4Confident2 Ų241 Ų412%0.01723%0.227CC..Hα-helixtrans-59.9-43.5-18000000111.6I293 P325 L326 S327 R332 T333 V342 L345I293-A329 HydrophobicContact CG2-CB 3.79Å; P325-A329 WeakPolarHBondContact O-CB 3.39Å; P325-A329 PolarHBondContact O-N 2.85Å; L326-A329 PolarHBondContact O-N 3.34Å; S327-A329 PolarHBondContact O-N 3.26Å; A329-R332 PolarHBondContact O-N 3.39Å; A329-T333 VanDerWaalsContact O-CG2 3.22Å; A329-T333 WeakPolarHBondContact O-CG2 3.23Å; A329-V342 HydrophobicContact CB-CG2 3.81Å; A329-L345 HydrophobicContact CB-CD1 3.95Å
330L79.8Confident71.3Confident3 Ų340.4 Ų40.42%0.01622%0.223CC..Hα-helixtrans-63.1-47.1177.7-67.8179.6000111.7L326 S327 L328 R332 T333 V342 E356 Y359 L368L326-L330 HydrophobicContact CD1-CG 4.42Å; L326-L330 HydrophobicContact CG-CD1 4.4Å; L326-L330 VanDerWaalsContact O-CG 3.29Å; L326-L330 WeakPolarHBondContact O-CG 3.38Å; L326-L330 PolarHBondContact O-N 3.36Å; S327-L330 PolarHBondContact O-N 3.46Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 3.11Å; L330-R332 PolarHBondContact O-N 2.88Å; L330-T333 PolarHBondContact O-N 3.27Å; L330-T333 VanDerWaalsContact O-N 3.14Å; L330-T333 PolarHBondContact O-OG1 3.01Å; L330-V342 HydrophobicContact CD2-CG1 4.23Å; L330-V342 HydrophobicContact CD2-CG2 3.94Å; L330-E356 HydrophobicContact CD1-CB 3.89Å; L330-E356 HydrophobicContact CD1-CG 3.84Å; L330-Y359 HydrophobicContact CB-CD1 3.92Å; L330-Y359 HydrophobicContact CB-CE1 4.09Å; L330-Y359 HydrophobicContact CB-CG 4.16Å; L330-Y359 HydrophobicContact CD1-CD1 4.34Å; L330-Y359 HydrophobicContact CD2-CD1 4.3Å; L330-Y359 HydrophobicContact CG-CD1 4.41Å; L330-Y359 PolarHBondContact O-OH 3.24Å; L330-L368 HydrophobicContact CD2-CD1 3.55Å; L330-L368 HydrophobicContact CD2-CD2 3.55Å; L330-L368 HydrophobicContact CD2-CG 4.18Å
331H73.1Confident72.4Confident36 Ų3638.9 Ų38.917%0.16721%0.214CC..Hα-helixtrans-62.1-29.6-179.1-7689.9000113.8F322 S327 L328 E355F322-H331 AromaticContact CD1-ND1 3.73Å; F322-H331 HydrophobicContact CE1-CB 3.72Å; F322-H331 AromaticContact CE1-CD2 3.93Å; F322-H331 AromaticContact CE1-CG 3.48Å; F322-H331 VanDerWaalsContact CE1-CG 3.48Å; F322-H331 AromaticContact CE1-ND1 3.58Å; F322-H331 HydrophobicContact CZ-CB 4.29Å; S327-H331 PolarHBondContact O-N 3Å; S327-H331 PolarHBondContact O-ND1 3.46Å; S327-H331 PolarHBondContact OG-CE1 3.31Å; S327-H331 VanDerWaalsContact OG-CE1 3.31Å; S327-H331 PolarHBondContact OG-ND1 3.36Å; L328-H331 PolarHBondContact O-N 2.86Å; H331-E355 IonicContact CE1-OE1 3.78Å; H331-E355 PolarHBondContact CE1-OE1 3.25Å
332R68.8Low73.2Confident132 Ų13236.4 Ų36.450%0.49819%0.189SC..Hα-helixtrans-77.6-20179.4-67.8-75.4-75.9-159.8-8.2113.4H294 L328 A329 L330 S334H294-R332 PolarHBondContact O-NH2 2.82Å; L328-R332 HydrophobicContact CD1-CG 4.25Å; L328-R332 WeakPolarHBondContact O-CG 3.34Å; L328-R332 PolarHBondContact O-N 2.88Å; A329-R332 PolarHBondContact O-N 3.39Å; L330-R332 PolarHBondContact O-N 2.88Å; R332-S334 PolarHBondContact O-N 2.95Å
333T60Low73.9Confident8 Ų838 Ų385%0.04920%0.196CC..THydrogen-bonded Turntrans-76.820-173.362.60000115.7A329 L330 T335 K336 S339 V342A329-T333 VanDerWaalsContact O-CG2 3.22Å; A329-T333 WeakPolarHBondContact O-CG2 3.23Å; L330-T333 PolarHBondContact O-N 3.27Å; L330-T333 VanDerWaalsContact O-N 3.14Å; L330-T333 PolarHBondContact O-OG1 3.01Å; T333-T335 CarbonylContact O-C 3.56Å; T333-T335 PolarHBondContact O-N 3.3Å; T333-K336 WeakPolarHBondContact CB-O 3.44Å; T333-K336 WeakPolarHBondContact CG2-O 3.16Å; T333-K336 CarbonylContact O-C 3.59Å; T333-K336 VanDerWaalsContact O-C 3.25Å; T333-K336 PolarHBondContact O-N 3.07Å; T333-S339 WeakPolarHBondContact CG2-OG 3.47Å; T333-V342 HydrophobicContact CG2-CG2 4.41Å
334S53.4Low74.5Confident56 Ų5638 Ų3839%0.39219%0.194SC..THydrogen-bonded Turntrans-51.9-24.7-174.563.10000114.5R332 R365R332-S334 PolarHBondContact O-N 2.95Å; S334-R365 PolarHBondContact O-NH2 3.24Å
335T49.2Very low74.7Confident117 Ų11737.8 Ų37.872%0.71819%0.193SC*.THydrogen-bonded Turntrans-98-27.8173.459.80000114.6T333T333-T335 CarbonylContact O-C 3.56Å; T333-T335 PolarHBondContact O-N 3.3Å
336K54.1Low74.6Confident159 Ų15937.8 Ų37.869%0.69119%0.193SC*.  trans-148.6100.8-179.8-70.7-175.9-177.7175.70112.3T333 C338T333-K336 WeakPolarHBondContact CB-O 3.44Å; T333-K336 WeakPolarHBondContact CG2-O 3.16Å; T333-K336 CarbonylContact O-C 3.59Å; T333-K336 VanDerWaalsContact O-C 3.25Å; T333-K336 PolarHBondContact O-N 3.07Å; K336-C338 PolarHBondContact O-N 3.4Å
337P50.8Low74.6Confident11 Ų1141.2 Ų41.27%0.07122%0.217CC..SBendtrans-62.8-2.5-176.922.4-31.8000115.9D367 L368P337-D367 HydrophobicContact CG-CB 4.16Å; P337-L368 HydrophobicContact CB-CB 4.19Å
338C59.8Low74.8Confident49 Ų4943.1 Ų43.133%0.33123%0.233SC..  trans-118.349.8-176.3-59.80000111.7K336 L371K336-C338 PolarHBondContact O-N 3.4Å; C338-L371 HydrophobicContact CB-CD2 4.43Å
339S71.5Confident74.9Confident26 Ų2644 Ų4418%0.18224%0.244CC..  trans-63.4144.817265.60000110.1T333 S341 V342 K343T333-S339 WeakPolarHBondContact CG2-OG 3.47Å; S339-S341 PolarHBondContact O-N 3.34Å; S339-V342 PolarHBondContact O-N 3.42Å; S339-V342 VanDerWaalsContact O-N 3.09Å; S339-V342 WeakPolarHBondContact OG-CG2 3.43Å; S339-K343 PolarHBondContact O-N 3.33Å
340E83.2Confident75.1Confident92 Ų9243.9 Ų43.943%0.4324%0.243SC..Hα-helixtrans-57.6-30.5176.5-70.9-58.313000111.3T298 V342 K343 L344T298-E340 HydrophobicContact CG2-CB 3.91Å; E340-V342 PolarHBondContact O-N 3.04Å; E340-K343 WeakPolarHBondContact O-CB 3.47Å; E340-K343 PolarHBondContact O-N 3.04Å; E340-K343 IonicContact OE1-NZ 2.78Å; E340-K343 PolarHBondContact OE1-NZ 3.17Å; E340-L344 WeakPolarHBondContact O-CB 3.38Å; E340-L344 VanDerWaalsContact O-CG 3.32Å; E340-L344 WeakPolarHBondContact O-CG 3.4Å; E340-L344 PolarHBondContact O-N 2.87Å
341S85.7Confident75.4Confident2 Ų245.2 Ų45.21%0.01425%0.252CS..Hα-helixtrans-54-47.9172.4-53.30000113.1D296 I301 S339 K343 L344 L345D296-S341 PolarHBondContact OD1-OG 3.28Å; I301-S341 WeakPolarHBondContact CD1-OG 3.32Å; S339-S341 PolarHBondContact O-N 3.34Å; S341-K343 PolarHBondContact O-N 3.45Å; S341-L344 PolarHBondContact O-N 2.87Å; S341-L345 VanDerWaalsContact O-CG 3.26Å; S341-L345 WeakPolarHBondContact O-CG 3.46Å; S341-L345 PolarHBondContact O-N 3.41Å
342V86.4Confident76Confident0 Ų043.6 Ų43.60%024%0.244CC..Hα-helixtrans-63.6-43177.3173.60000110.6L326 A329 L330 T333 S339 E340 L344 L345 L346 L368 L371L326-V342 HydrophobicContact CD1-CG1 4.19Å; A329-V342 HydrophobicContact CB-CG2 3.81Å; L330-V342 HydrophobicContact CD2-CG1 4.23Å; L330-V342 HydrophobicContact CD2-CG2 3.94Å; T333-V342 HydrophobicContact CG2-CG2 4.41Å; S339-V342 PolarHBondContact O-N 3.42Å; S339-V342 VanDerWaalsContact O-N 3.09Å; S339-V342 WeakPolarHBondContact OG-CG2 3.43Å; E340-V342 PolarHBondContact O-N 3.04Å; V342-L344 PolarHBondContact O-N 3.39Å; V342-L345 PolarHBondContact O-N 3.46Å; V342-L346 HydrophobicContact CG1-CD1 3.79Å; V342-L346 HydrophobicContact CG1-CG 4.29Å; V342-L346 WeakPolarHBondContact O-CB 3.34Å; V342-L346 VanDerWaalsContact O-CG 3.24Å; V342-L346 WeakPolarHBondContact O-CG 3.21Å; V342-L346 PolarHBondContact O-N 3.08Å; V342-L368 HydrophobicContact CG1-CD1 4.1Å; V342-L371 HydrophobicContact CG1-CD2 4.14Å
343K86.4Confident76.7Confident60 Ų6040 Ų4026%0.26124%0.235SC..Hα-helixtrans-61.3-46177.9-60.8-177.5-170.9164.50111.5S339 E340 S341 L346 S347 L371S339-K343 PolarHBondContact O-N 3.33Å; E340-K343 WeakPolarHBondContact O-CB 3.47Å; E340-K343 PolarHBondContact O-N 3.04Å; E340-K343 IonicContact OE1-NZ 2.78Å; E340-K343 PolarHBondContact OE1-NZ 3.17Å; S341-K343 PolarHBondContact O-N 3.45Å; K343-L346 PolarHBondContact O-N 3.08Å; K343-S347 VanDerWaalsContact O-CB 3.26Å; K343-S347 WeakPolarHBondContact O-CB 3.45Å; K343-S347 PolarHBondContact O-N 2.87Å; K343-S347 PolarHBondContact O-OG 2.85Å; K343-L371 HydrophobicContact CD-CD1 4.35Å; K343-L371 HydrophobicContact CG-CD1 4.02Å; K343-L371 HydrophobicContact CG-CD2 3.93Å; K343-L371 HydrophobicContact CG-CG 4.45Å
344L89.1Confident77.7Confident28 Ų2841.5 Ų41.515%0.14725%0.248CC..Hα-helixtrans-61.4-48.2178.9-72.8174.7000111.2T298 I301 Q302 L305 E340 S341 V342 L346 S347 A348T298-L344 HydrophobicContact CG2-CD1 3.7Å; I301-L344 HydrophobicContact CB-CD1 4.07Å; I301-L344 HydrophobicContact CG2-CB 3.92Å; I301-L344 HydrophobicContact CG2-CD1 3.74Å; Q302-L344 HydrophobicContact CB-CD1 4.15Å; Q302-L344 HydrophobicContact CB-CD2 4.37Å; Q302-L344 HydrophobicContact CG-CD2 4.34Å; L305-L344 HydrophobicContact CD1-CB 3.98Å; E340-L344 WeakPolarHBondContact O-CB 3.38Å; E340-L344 VanDerWaalsContact O-CG 3.32Å; E340-L344 WeakPolarHBondContact O-CG 3.4Å; E340-L344 PolarHBondContact O-N 2.87Å; S341-L344 PolarHBondContact O-N 2.87Å; V342-L344 PolarHBondContact O-N 3.39Å; L344-L346 PolarHBondContact O-N 3.47Å; L344-S347 WeakPolarHBondContact CA-OG 3.33Å; L344-S347 PolarHBondContact O-N 3.25Å; L344-S347 PolarHBondContact O-OG 3.16Å; L344-A348 WeakPolarHBondContact O-CB 3.45Å; L344-A348 PolarHBondContact O-N 2.95Å
345L89.8Confident78.9Confident0 Ų042.4 Ų42.40%025%0.246CC..Hα-helixtrans-61.4-45.5177.9-69.6170.6000112.6L289 I293 L305 P311 P325 L326 A329 S341 V342 S347 A348 G349 A350L289-L345 HydrophobicContact CD1-CD2 4.49Å; L289-L345 HydrophobicContact CD2-CD2 3.86Å; L289-L345 HydrophobicContact CG-CD2 4.42Å; I293-L345 HydrophobicContact CD1-CD1 3.79Å; I293-L345 HydrophobicContact CD1-CD2 4.28Å; I293-L345 HydrophobicContact CD1-CG 4.48Å; L305-L345 HydrophobicContact CD1-CD2 4.36Å; L305-L345 HydrophobicContact CD2-CD2 4.39Å; P311-L345 HydrophobicContact CB-CD2 4.16Å; P325-L345 HydrophobicContact CB-CD1 4.4Å; P325-L345 HydrophobicContact CB-CD2 4.25Å; L326-L345 HydrophobicContact CB-CD1 4.31Å; L326-L345 HydrophobicContact CD1-CB 4.24Å; L326-L345 HydrophobicContact CD1-CD1 4.17Å; A329-L345 HydrophobicContact CB-CD1 3.95Å; S341-L345 VanDerWaalsContact O-CG 3.26Å; S341-L345 WeakPolarHBondContact O-CG 3.46Å; S341-L345 PolarHBondContact O-N 3.41Å; V342-L345 PolarHBondContact O-N 3.46Å; L345-S347 PolarHBondContact O-N 2.84Å; L345-A348 PolarHBondContact O-N 2.99Å; L345-G349 PolarHBondContact O-N 2.92Å; L345-A350 HydrophobicContact CB-CB 4.11Å; L345-A350 VanDerWaalsContact O-CB 3.26Å; L345-A350 WeakPolarHBondContact O-CB 3.4Å; L345-A350 PolarHBondContact O-N 3.47Å
346L87.9Confident80.4Confident0 Ų036.9 Ų36.90%021%0.212CC..Hα-helixtrans-61.6-45.6175.5-70.3172.6000110.7L326 V342 K343 L344 A348 G349 L352 I372 H375 R376L326-L346 HydrophobicContact CD2-CD2 4.2Å; V342-L346 HydrophobicContact CG1-CD1 3.79Å; V342-L346 HydrophobicContact CG1-CG 4.29Å; V342-L346 WeakPolarHBondContact O-CB 3.34Å; V342-L346 VanDerWaalsContact O-CG 3.24Å; V342-L346 WeakPolarHBondContact O-CG 3.21Å; V342-L346 PolarHBondContact O-N 3.08Å; K343-L346 PolarHBondContact O-N 3.08Å; L344-L346 PolarHBondContact O-N 3.47Å; L346-A348 PolarHBondContact O-N 2.93Å; L346-G349 PolarHBondContact O-N 3.02Å; L346-G349 VanDerWaalsContact O-N 3.13Å; L346-L352 HydrophobicContact CD2-CD2 4.25Å; L346-I372 HydrophobicContact CD1-CG1 3.9Å; L346-I372 HydrophobicContact CD2-CG1 4.38Å; L346-H375 HydrophobicContact CB-CB 4.26Å; L346-R376 PolarHBondContact O-NH1 3.02Å; L346-R376 PolarHBondContact O-NH2 2.99Å
347S86.1Confident81.8Confident73 Ų7329.3 Ų29.351%0.5118%0.179SC..Hα-helixtrans-60.8-34.2177.877.70000112.7K343 L344 L345 G349K343-S347 VanDerWaalsContact O-CB 3.26Å; K343-S347 WeakPolarHBondContact O-CB 3.45Å; K343-S347 PolarHBondContact O-N 2.87Å; K343-S347 PolarHBondContact O-OG 2.85Å; L344-S347 WeakPolarHBondContact CA-OG 3.33Å; L344-S347 PolarHBondContact O-N 3.25Å; L344-S347 PolarHBondContact O-OG 3.16Å; L345-S347 PolarHBondContact O-N 2.84Å; S347-G349 VanDerWaalsContact C-N 3.31Å; S347-G349 PolarHBondContact O-N 3.34Å
348A87.3Confident83.3Confident43 Ų4330.9 Ų30.936%0.35519%0.189SC..Hα-helixtrans-80.5-6.6179.100000114.3L305 P311 L344 L345 L346L305-A348 HydrophobicContact CB-CB 4.13Å; L305-A348 HydrophobicContact CD1-CB 3.82Å; L305-A348 HydrophobicContact CD2-CB 3.82Å; L305-A348 HydrophobicContact CG-CB 4.13Å; P311-A348 HydrophobicContact CB-CB 4.06Å; P311-A348 HydrophobicContact CG-CB 4.33Å; L344-A348 WeakPolarHBondContact O-CB 3.45Å; L344-A348 PolarHBondContact O-N 2.95Å; L345-A348 PolarHBondContact O-N 2.99Å; L346-A348 PolarHBondContact O-N 2.93Å
349G86Confident84.1Confident27 Ų2729.9 Ų29.928%0.27818%0.178SC..THydrogen-bonded Turntrans10315.3175.300000115.8L345 L346 S347 T351L345-G349 PolarHBondContact O-N 2.92Å; L346-G349 PolarHBondContact O-N 3.02Å; L346-G349 VanDerWaalsContact O-N 3.13Å; S347-G349 VanDerWaalsContact C-N 3.31Å; S347-G349 PolarHBondContact O-N 3.34Å; G349-T351 PolarHBondContact O-N 3.3Å
350A88.6Confident84.5Confident0 Ų028.8 Ų28.80%017%0.171CC..  trans-48.2136.5174.900000112.2P311 D312 L326 L345 R376P311-A350 HydrophobicContact CB-CB 4.06Å; D312-A350 WeakPolarHBondContact OD1-CA 3.4Å; L326-A350 HydrophobicContact CB-CB 4.4Å; L326-A350 HydrophobicContact CD2-CB 3.97Å; L345-A350 HydrophobicContact CB-CB 4.11Å; L345-A350 VanDerWaalsContact O-CB 3.26Å; L345-A350 WeakPolarHBondContact O-CB 3.4Å; L345-A350 PolarHBondContact O-N 3.47Å; A350-R376 PolarHBondContact O-NH2 3.06Å
351T87.2Confident84.4Confident31 Ų3124.4 Ų24.419%0.1915%0.15CC..  trans-75.8143.6177.154.50000110.9D312 G349D312-T351 VanDerWaalsContact CG-OG1 3.25Å; D312-T351 WeakPolarHBondContact OD1-CB 3.48Å; D312-T351 PolarHBondContact OD1-N 3.32Å; D312-T351 PolarHBondContact OD1-OG1 2.73Å; D312-T351 WeakPolarHBondContact OD2-CG2 3.47Å; G349-T351 PolarHBondContact O-N 3.3Å
352L85.7Confident83.9Confident1 Ų124.4 Ų24.41%0.00515%0.15CC..  trans-109.4110.7178.6-70.8160.9000108.8L326 L346 E356 W357 I372 R376 L399 E403L326-L352 HydrophobicContact CD2-CD2 3.76Å; L346-L352 HydrophobicContact CD2-CD2 4.25Å; L352-E356 HydrophobicContact CD2-CB 4.02Å; L352-W357 HydrophobicContact CB-CZ2 4.01Å; L352-W357 HydrophobicContact CD1-CH2 3.95Å; L352-W357 HydrophobicContact CD1-CZ2 3.66Å; L352-W357 HydrophobicContact CG-CZ2 4.36Å; L352-I372 HydrophobicContact CD1-CG2 3.57Å; L352-I372 HydrophobicContact CD2-CD1 4.27Å; L352-I372 HydrophobicContact CD2-CG2 4.35Å; L352-R376 HydrophobicContact CD1-CG 4.1Å; L352-L399 HydrophobicContact CD1-CD2 3.83Å; L352-E403 HydrophobicContact CB-CG 4.48Å
353N83.2Confident83.1Confident56 Ų5625.8 Ų25.830%0.29916%0.159SC..  trans-102.1178.3177.2-55.7-34000111E355 E356 W357 E406N353-E355 PolarHBondContact O-N 3.16Å; N353-E355 VanDerWaalsContact O-N 3.15Å; N353-E356 VanDerWaalsContact CA-OE2 3.29Å; N353-E356 WeakPolarHBondContact CA-OE2 3.13Å; N353-E356 VanDerWaalsContact CB-OE2 3.23Å; N353-E356 WeakPolarHBondContact CB-OE2 3.35Å; N353-E356 PolarHBondContact N-OE2 3.43Å; N353-E356 PolarHBondContact O-N 3.34Å; N353-W357 PolarHBondContact O-N 3.49Å; N353-E406 VanDerWaalsContact C-OE2 3.22Å; N353-E406 WeakPolarHBondContact CA-OE2 3.47Å
354A79.4Confident82.2Confident41 Ų4127.7 Ų27.734%0.33917%0.172SC..Hα-helixtrans-54-32.7179.200000113.5T358 E406 V410A354-T358 WeakPolarHBondContact O-CB 3.34Å; A354-T358 PolarHBondContact O-N 3.39Å; A354-T358 PolarHBondContact O-OG1 3.09Å; A354-E406 PolarHBondContact N-OE2 2.99Å; A354-V410 HydrophobicContact CB-CG2 3.96Å
355E78.6Confident81.1Confident74 Ų7431 Ų3135%0.34618%0.182SC..Hα-helixtrans-69.6-48.1178.3-168.3179.1138.100111.8P323 S327 H331 N353 W357 T358 Y359P323-E355 WeakPolarHBondContact CG-OE2 3.41Å; S327-E355 PolarHBondContact OG-OE1 3.44Å; H331-E355 IonicContact CE1-OE1 3.78Å; H331-E355 PolarHBondContact CE1-OE1 3.25Å; N353-E355 PolarHBondContact O-N 3.16Å; N353-E355 VanDerWaalsContact O-N 3.15Å; E355-W357 VanDerWaalsContact C-N 3.3Å; E355-W357 PolarHBondContact O-N 2.88Å; E355-T358 WeakPolarHBondContact O-CB 3.41Å; E355-T358 PolarHBondContact O-N 2.82Å; E355-T358 VanDerWaalsContact O-N 3.1Å; E355-Y359 PolarHBondContact O-N 3.37Å
356E81.8Confident80.3Confident2 Ų232.7 Ų32.71%0.00919%0.193CC..Hα-helixtrans-62.3-39.3176.6-66.781.1-172.300111.4S324 L326 L330 L352 N353 T358 Y359 A360S324-E356 PolarHBondContact OG-OE1 3.14Å; L326-E356 HydrophobicContact CD2-CG 3.99Å; L326-E356 HydrophobicContact CG-CG 4.02Å; L330-E356 HydrophobicContact CD1-CB 3.89Å; L330-E356 HydrophobicContact CD1-CG 3.84Å; L352-E356 HydrophobicContact CD2-CB 4.02Å; N353-E356 VanDerWaalsContact CA-OE2 3.29Å; N353-E356 WeakPolarHBondContact CA-OE2 3.13Å; N353-E356 VanDerWaalsContact CB-OE2 3.23Å; N353-E356 WeakPolarHBondContact CB-OE2 3.35Å; N353-E356 PolarHBondContact N-OE2 3.43Å; N353-E356 PolarHBondContact O-N 3.34Å; E356-T358 VanDerWaalsContact C-N 3.34Å; E356-Y359 PolarHBondContact O-N 3.42Å; E356-A360 PolarHBondContact O-N 3.03Å
357W84.1Confident79.7Confident0 Ų036.3 Ų36.30%021%0.212CC..Hα-helixtrans-66.4-35.4173.5-72.5124000113L352 N353 E355 Y359 A360 L361 L369 I372 L399 E403 L407 V410L352-W357 HydrophobicContact CB-CZ2 4.01Å; L352-W357 HydrophobicContact CD1-CH2 3.95Å; L352-W357 HydrophobicContact CD1-CZ2 3.66Å; L352-W357 HydrophobicContact CG-CZ2 4.36Å; N353-W357 PolarHBondContact O-N 3.49Å; E355-W357 VanDerWaalsContact C-N 3.3Å; E355-W357 PolarHBondContact O-N 2.88Å; W357-Y359 VanDerWaalsContact C-N 3.27Å; W357-Y359 PolarHBondContact O-N 3.16Å; W357-A360 HydrophobicContact CE3-CB 4.26Å; W357-A360 PolarHBondContact O-N 3.29Å; W357-L361 VanDerWaalsContact O-CB 3.32Å; W357-L361 WeakPolarHBondContact O-CB 3.47Å; W357-L361 WeakPolarHBondContact O-CG 3.42Å; W357-L361 PolarHBondContact O-N 3.47Å; W357-L369 HydrophobicContact CZ3-CD1 3.96Å; W357-I372 HydrophobicContact CH2-CG2 3.66Å; W357-I372 HydrophobicContact CZ3-CD1 4.48Å; W357-I372 HydrophobicContact CZ3-CG2 3.94Å; W357-L399 HydrophobicContact CH2-CD1 4.45Å; W357-L399 HydrophobicContact CH2-CD2 4.34Å; W357-L399 HydrophobicContact CZ2-CD1 4.37Å; W357-L399 HydrophobicContact CZ2-CD2 3.86Å; W357-E403 PolarHBondContact NE1-O 2.9Å; W357-L407 HydrophobicContact CD2-CB 4.04Å; W357-L407 HydrophobicContact CD2-CD1 3.72Å; W357-L407 HydrophobicContact CD2-CG 4.47Å; W357-L407 HydrophobicContact CE3-CD1 3.4Å; W357-L407 VanDerWaalsContact CE3-CD1 3.4Å; W357-L407 HydrophobicContact CG-CB 4.38Å; W357-L407 HydrophobicContact CG-CD1 4.45Å; W357-L407 HydrophobicContact CH2-CD1 3.98Å; W357-L407 HydrophobicContact CH2-CD2 4.37Å; W357-L407 HydrophobicContact CZ2-CB 4.06Å; W357-L407 HydrophobicContact CZ2-CD1 4.25Å; W357-L407 HydrophobicContact CZ2-CG 4.5Å; W357-L407 HydrophobicContact CZ3-CD1 3.57Å; W357-V410 HydrophobicContact CB-CB 4.05Å; W357-V410 HydrophobicContact CB-CG1 4.08Å; W357-V410 HydrophobicContact CB-CG2 4.08Å
358T81.9Confident79.3Confident43 Ų4333 Ų3326%0.26419%0.188SC..Hα-helixtrans-63.9-39.5176.3-630000110A354 E355 E356 G362A354-T358 WeakPolarHBondContact O-CB 3.34Å; A354-T358 PolarHBondContact O-N 3.39Å; A354-T358 PolarHBondContact O-OG1 3.09Å; E355-T358 WeakPolarHBondContact O-CB 3.41Å; E355-T358 PolarHBondContact O-N 2.82Å; E355-T358 VanDerWaalsContact O-N 3.1Å; E356-T358 VanDerWaalsContact C-N 3.34Å; T358-G362 WeakPolarHBondContact O-CA 3.27Å; T358-G362 PolarHBondContact O-N 3.39Å
359Y77.4Confident79.1Confident28 Ų2831 Ų3111%0.1117%0.172CC..Hα-helixtrans-67.1-42.6174.2-164.6-85.2000112L330 E355 E356 W357 T363 L368 V544L330-Y359 HydrophobicContact CB-CD1 3.92Å; L330-Y359 HydrophobicContact CB-CE1 4.09Å; L330-Y359 HydrophobicContact CB-CG 4.16Å; L330-Y359 HydrophobicContact CD1-CD1 4.34Å; L330-Y359 HydrophobicContact CD2-CD1 4.3Å; L330-Y359 HydrophobicContact CG-CD1 4.41Å; L330-Y359 PolarHBondContact O-OH 3.24Å; E355-Y359 PolarHBondContact O-N 3.37Å; E356-Y359 PolarHBondContact O-N 3.42Å; W357-Y359 VanDerWaalsContact C-N 3.27Å; W357-Y359 PolarHBondContact O-N 3.16Å; Y359-T363 WeakPolarHBondContact O-CG2 3.33Å; Y359-L368 HydrophobicContact CD1-CD2 3.45Å; Y359-L368 VanDerWaalsContact CD1-CD2 3.45Å; Y359-L368 HydrophobicContact CE1-CD2 3.83Å; Y359-V544 HydrophobicContact CD2-CG1 4Å; Y359-V544 HydrophobicContact CE2-CG1 4.12Å
360A79.6Confident78.9Confident3 Ų333.2 Ų33.23%0.02518%0.175CC..Hα-helixtrans-70.3-31.4-179.600000114.3E356 W357 L368 I372E356-A360 PolarHBondContact O-N 3.03Å; W357-A360 HydrophobicContact CE3-CB 4.26Å; W357-A360 PolarHBondContact O-N 3.29Å; A360-L368 HydrophobicContact CB-CD2 4.15Å; A360-L368 HydrophobicContact CB-CG 4.39Å; A360-I372 HydrophobicContact CB-CD1 3.87Å
361L81.1Confident78.5Confident1 Ų134.1 Ų34.11%0.00518%0.18CC..Hα-helixtrans-102.6-23.6-176-64171.6000113.9W357 T363 L369 L407 V410 A411 Q414 F417 W421 L425W357-L361 VanDerWaalsContact O-CB 3.32Å; W357-L361 WeakPolarHBondContact O-CB 3.47Å; W357-L361 WeakPolarHBondContact O-CG 3.42Å; W357-L361 PolarHBondContact O-N 3.47Å; L361-T363 VanDerWaalsContact C-N 3.27Å; L361-T363 PolarHBondContact O-N 3.46Å; L361-L369 HydrophobicContact CD2-CD1 4.07Å; L361-L369 HydrophobicContact CD2-CD2 3.9Å; L361-L407 HydrophobicContact CD1-CD1 3.85Å; L361-L407 HydrophobicContact CD2-CD1 4.48Å; L361-V410 HydrophobicContact CD1-CB 4.28Å; L361-V410 HydrophobicContact CD1-CG1 3.98Å; L361-A411 HydrophobicContact CD1-CB 3.87Å; L361-Q414 HydrophobicContact CB-CB 4.49Å; L361-F417 WeakPolarHBondContact O-CB 3.47Å; L361-W421 HydrophobicContact CD2-CB 3.53Å; L361-W421 HydrophobicContact CD2-CD2 4.11Å; L361-W421 HydrophobicContact CD2-CG 3.6Å; L361-L425 HydrophobicContact CD2-CD1 4.35Å
362G73.8Confident78.3Confident1 Ų132.8 Ų32.81%0.0117%0.171CC..SBendtrans-89.327.5-17800000114.4T358 S542T358-G362 WeakPolarHBondContact O-CA 3.27Å; T358-G362 PolarHBondContact O-N 3.39Å; G362-S542 PolarHBondContact O-OG 3.17Å; G362-S542 VanDerWaalsContact O-OG 3.05Å
363T70.6Confident78.1Confident29 Ų2933 Ų3318%0.17817%0.173CC..SBendtrans-134.3160.1177.269.60000110.8Y359 L361 R365Y359-T363 WeakPolarHBondContact O-CG2 3.33Å; L361-T363 VanDerWaalsContact C-N 3.27Å; L361-T363 PolarHBondContact O-N 3.46Å; T363-R365 PolarHBondContact O-N 3.28Å; T363-R365 PolarHBondContact OG1-O 3.19Å
364D67Low77.9Confident100 Ų10033.4 Ų33.454%0.53518%0.175SC..SBendtrans-79.1-417666-22.6000113.4P539D364-P539 HydrophobicContact CB-CG 3.46Å; D364-P539 VanDerWaalsContact CB-CG 3.46Å
365R66.2Low77.8Confident97 Ų9734.2 Ų34.237%0.36617%0.171SC..  trans-102.3118.4-177.8-67.7-156.3-87.8-179.4-7.4111.3S334 T363S334-R365 PolarHBondContact O-NH2 3.24Å; T363-R365 PolarHBondContact O-N 3.28Å; T363-R365 PolarHBondContact OG1-O 3.19Å
366T73.5Confident77.8Confident36 Ų3630.9 Ų30.922%0.22116%0.156CC..  trans-81.7-14.2177.857.90000113.9L368 L369 E370 S420 V424T366-L368 VanDerWaalsContact C-N 3.26Å; T366-L368 PolarHBondContact O-N 3.23Å; T366-L368 VanDerWaalsContact O-N 3.15Å; T366-L369 PolarHBondContact O-N 3.12Å; T366-E370 WeakPolarHBondContact CB-OE1 3.32Å; T366-E370 WeakPolarHBondContact O-CG 3.36Å; T366-E370 PolarHBondContact O-N 3.25Å; T366-E370 PolarHBondContact OG1-OE1 2.89Å; T366-S420 WeakPolarHBondContact CG2-O 3.43Å; T366-V424 HydrophobicContact CG2-CG2 3.75Å
367D75.7Confident77.6Confident76 Ų7634.8 Ų34.841%0.40617%0.17SC..Hα-helixtrans-50.4-44.1-175-57.7-35.5000113P337 L371P337-D367 HydrophobicContact CG-CB 4.16Å; D367-L371 VanDerWaalsContact O-CB 3.28Å; D367-L371 WeakPolarHBondContact O-CB 3.3Å; D367-L371 PolarHBondContact O-N 3.45Å
368L77.6Confident77.3Confident3 Ų335.6 Ų35.62%0.01618%0.175CC..Hα-helixtrans-70.8-43.6-179.3177.863.1000111.9L330 P337 V342 Y359 A360 T366 E370 L371 I372L330-L368 HydrophobicContact CD2-CD1 3.55Å; L330-L368 HydrophobicContact CD2-CD2 3.55Å; L330-L368 HydrophobicContact CD2-CG 4.18Å; P337-L368 HydrophobicContact CB-CB 4.19Å; V342-L368 HydrophobicContact CG1-CD1 4.1Å; Y359-L368 HydrophobicContact CD1-CD2 3.45Å; Y359-L368 VanDerWaalsContact CD1-CD2 3.45Å; Y359-L368 HydrophobicContact CE1-CD2 3.83Å; A360-L368 HydrophobicContact CB-CD2 4.15Å; A360-L368 HydrophobicContact CB-CG 4.39Å; T366-L368 VanDerWaalsContact C-N 3.26Å; T366-L368 PolarHBondContact O-N 3.23Å; T366-L368 VanDerWaalsContact O-N 3.15Å; L368-E370 VanDerWaalsContact C-N 3.32Å; L368-L371 PolarHBondContact O-N 3.11Å; L368-I372 HydrophobicContact CD1-CD1 4.13Å; L368-I372 HydrophobicContact CD1-CG1 4.28Å; L368-I372 HydrophobicContact CG-CD1 3.95Å; L368-I372 VanDerWaalsContact O-CG1 3.28Å; L368-I372 WeakPolarHBondContact O-CG1 3.29Å; L368-I372 PolarHBondContact O-N 2.92Å
369L82.1Confident76.7Confident1 Ų134.2 Ų34.21%0.00517%0.166CC..Hα-helixtrans-62.3-43.7177.6-179.863.3000110.5W357 L361 T366 I372 L373 W421 V424 L425W357-L369 HydrophobicContact CZ3-CD1 3.96Å; L361-L369 HydrophobicContact CD2-CD1 4.07Å; L361-L369 HydrophobicContact CD2-CD2 3.9Å; T366-L369 PolarHBondContact O-N 3.12Å; L369-I372 PolarHBondContact O-N 3.15Å; L369-L373 HydrophobicContact CD1-CD1 3.84Å; L369-L373 HydrophobicContact CD1-CG 4.29Å; L369-L373 HydrophobicContact CG-CD1 3.88Å; L369-L373 WeakPolarHBondContact O-CB 3.34Å; L369-L373 VanDerWaalsContact O-CG 3.22Å; L369-L373 WeakPolarHBondContact O-CG 3.44Å; L369-L373 PolarHBondContact O-N 3.21Å; L369-W421 HydrophobicContact CD2-CB 3.61Å; L369-V424 HydrophobicContact CD2-CB 3.98Å; L369-V424 HydrophobicContact CD2-CG1 3.89Å; L369-V424 HydrophobicContact CG-CG1 4Å; L369-L425 HydrophobicContact CD1-CD2 4.1Å; L369-L425 HydrophobicContact CD2-CD2 4.22Å; L369-L425 HydrophobicContact CD2-CG 4.34Å
370E81.5Confident76.2Confident74 Ų7437.3 Ų37.335%0.34618%0.178SC..Hα-helixtrans-60.8-45.2174.5-73.2177.8-149.100111.6T366 L368 L373 D374 V424T366-E370 WeakPolarHBondContact CB-OE1 3.32Å; T366-E370 WeakPolarHBondContact O-CG 3.36Å; T366-E370 PolarHBondContact O-N 3.25Å; T366-E370 PolarHBondContact OG1-OE1 2.89Å; L368-E370 VanDerWaalsContact C-N 3.32Å; E370-L373 PolarHBondContact O-N 3.25Å; E370-D374 WeakPolarHBondContact O-CB 3.39Å; E370-D374 VanDerWaalsContact O-CG 3.32Å; E370-D374 PolarHBondContact O-N 2.99Å; E370-V424 HydrophobicContact CG-CG1 3.7Å; E370-V424 HydrophobicContact CG-CG2 4.3Å
371L80.3Confident75Confident20 Ų2040.7 Ų40.711%0.10520%0.2CC..Hα-helixtrans-61.1-45.7177.7-176.570.5000112.4C338 V342 K343 D367 L368 D374 H375C338-L371 HydrophobicContact CB-CD2 4.43Å; V342-L371 HydrophobicContact CG1-CD2 4.14Å; K343-L371 HydrophobicContact CD-CD1 4.35Å; K343-L371 HydrophobicContact CG-CD1 4.02Å; K343-L371 HydrophobicContact CG-CD2 3.93Å; K343-L371 HydrophobicContact CG-CG 4.45Å; D367-L371 VanDerWaalsContact O-CB 3.28Å; D367-L371 WeakPolarHBondContact O-CB 3.3Å; D367-L371 PolarHBondContact O-N 3.45Å; L368-L371 PolarHBondContact O-N 3.11Å; L371-D374 PolarHBondContact O-N 3.5Å; L371-H375 PolarHBondContact O-N 3.2Å; L371-H375 PolarHBondContact O-ND1 2.82Å
372I82.5Confident73.6Confident2 Ų246 Ų461%0.0123%0.225CC..Hα-helixtrans-58.9-51.8176.4-70.7166.3000109.2L346 L352 W357 A360 L368 L369 D374 H375 R376L346-I372 HydrophobicContact CD1-CG1 3.9Å; L346-I372 HydrophobicContact CD2-CG1 4.38Å; L352-I372 HydrophobicContact CD1-CG2 3.57Å; L352-I372 HydrophobicContact CD2-CD1 4.27Å; L352-I372 HydrophobicContact CD2-CG2 4.35Å; W357-I372 HydrophobicContact CH2-CG2 3.66Å; W357-I372 HydrophobicContact CZ3-CD1 4.48Å; W357-I372 HydrophobicContact CZ3-CG2 3.94Å; A360-I372 HydrophobicContact CB-CD1 3.87Å; L368-I372 HydrophobicContact CD1-CD1 4.13Å; L368-I372 HydrophobicContact CD1-CG1 4.28Å; L368-I372 HydrophobicContact CG-CD1 3.95Å; L368-I372 VanDerWaalsContact O-CG1 3.28Å; L368-I372 WeakPolarHBondContact O-CG1 3.29Å; L368-I372 PolarHBondContact O-N 2.92Å; L369-I372 PolarHBondContact O-N 3.15Å; I372-D374 VanDerWaalsContact C-N 3.27Å; I372-D374 PolarHBondContact O-N 2.84Å; I372-H375 CarbonylContact O-C 3.59Å; I372-H375 PolarHBondContact O-N 3.41Å; I372-R376 HydrophobicContact CG2-CB 4.44Å; I372-R376 VanDerWaalsContact O-CB 3.31Å; I372-R376 WeakPolarHBondContact O-CB 3.44Å; I372-R376 PolarHBondContact O-N 3.38Å
373L82.3Confident72.4Confident6 Ų648.3 Ų48.33%0.03124%0.243CC..Hα-helixtrans-70.7-22.3-176.4-64.5171.1000113.3L369 E370 H375 R376 I378 L399 V424 L425 K428L369-L373 HydrophobicContact CD1-CD1 3.84Å; L369-L373 HydrophobicContact CD1-CG 4.29Å; L369-L373 HydrophobicContact CG-CD1 3.88Å; L369-L373 WeakPolarHBondContact O-CB 3.34Å; L369-L373 VanDerWaalsContact O-CG 3.22Å; L369-L373 WeakPolarHBondContact O-CG 3.44Å; L369-L373 PolarHBondContact O-N 3.21Å; E370-L373 PolarHBondContact O-N 3.25Å; L373-H375 VanDerWaalsContact C-N 3.33Å; L373-R376 WeakPolarHBondContact CA-O 3.34Å; L373-I378 HydrophobicContact CD2-CD1 4.06Å; L373-I378 HydrophobicContact CD2-CG1 3.92Å; L373-L399 HydrophobicContact CD2-CD1 4.34Å; L373-V424 HydrophobicContact CD1-CG1 4.11Å; L373-L425 HydrophobicContact CD1-CD2 3.81Å; L373-K428 HydrophobicContact CB-CB 4.3Å; L373-K428 HydrophobicContact CB-CD 4.08Å; L373-K428 HydrophobicContact CB-CG 3.9Å; L373-K428 HydrophobicContact CD1-CB 3.95Å; L373-K428 HydrophobicContact CD1-CG 3.78Å; L373-K428 HydrophobicContact CG-CG 4.45Å
374D79.3Confident71.4Confident65 Ų6552.3 Ų52.335%0.34826%0.258SS..Hα-helixtrans-70.1-29.8170.3-84-18000112.9E370 L371 I372 K396 K428E370-D374 WeakPolarHBondContact O-CB 3.39Å; E370-D374 VanDerWaalsContact O-CG 3.32Å; E370-D374 PolarHBondContact O-N 2.99Å; L371-D374 PolarHBondContact O-N 3.5Å; I372-D374 VanDerWaalsContact C-N 3.27Å; I372-D374 PolarHBondContact O-N 2.84Å; D374-K396 WeakPolarHBondContact O-CD 3.31Å; D374-K396 WeakPolarHBondContact O-CE 3.49Å; D374-K396 PolarHBondContact O-NZ 2.89Å; D374-K428 IonicContact OD1-NZ 3.44Å; D374-K428 PolarHBondContact OD1-NZ 3.42Å
375H76.4Confident70.1Confident57 Ų5752.3 Ų52.326%0.26427%0.267SS..Hα-helixtrans-96.9-24.2176.2-66.682.3000113L346 L371 I372 L373 T397L346-H375 HydrophobicContact CB-CB 4.26Å; L371-H375 PolarHBondContact O-N 3.2Å; L371-H375 PolarHBondContact O-ND1 2.82Å; I372-H375 CarbonylContact O-C 3.59Å; I372-H375 PolarHBondContact O-N 3.41Å; L373-H375 VanDerWaalsContact C-N 3.33Å; H375-T397 PolarHBondContact O-N 3.19Å; H375-T397 VanDerWaalsContact O-N 3.15Å
376R79Confident68.7Low4 Ų454.4 Ų54.42%0.01528%0.278CS..EExtended strand (participates in β ladder)trans-124.599.8-176-68.7-72-167.9-85.2-17.5111.3L346 A350 L352 I372 L373 T397 L399L346-R376 PolarHBondContact O-NH1 3.02Å; L346-R376 PolarHBondContact O-NH2 2.99Å; A350-R376 PolarHBondContact O-NH2 3.06Å; L352-R376 HydrophobicContact CD1-CG 4.1Å; I372-R376 HydrophobicContact CG2-CB 4.44Å; I372-R376 VanDerWaalsContact O-CB 3.31Å; I372-R376 WeakPolarHBondContact O-CB 3.44Å; I372-R376 PolarHBondContact O-N 3.38Å; L373-R376 WeakPolarHBondContact CA-O 3.34Å; R376-T397 CarbonylContact C-O 3.59Å; R376-T397 VanDerWaalsContact CA-O 3.26Å; R376-T397 WeakPolarHBondContact CA-O 3.4Å; R376-T397 VanDerWaalsContact NH1-CB 3.35Å; R376-T397 PolarHBondContact NH1-OG1 3.07Å; R376-L399 HydrophobicContact CB-CD2 3.82Å; R376-L399 HydrophobicContact CB-CG 3.98Å; R376-L399 HydrophobicContact CG-CD2 4.32Å
377R77.9Confident66.8Low85 Ų8556.8 Ų56.832%0.32131%0.31SS..EExtended strand (participates in β ladder)trans-76139.7-179.2-73.6-169.5174.9157.93.5112.4T397 L399R377-T397 PolarHBondContact N-O 2.68Å; R377-L399 PolarHBondContact O-N 3.06Å
378I78.1Confident64.8Low17 Ų1761.1 Ų61.19%0.08733%0.326CS..PPolyproline II helixtrans-69.3126.9170.9-59.6175.2000108.9L373 L399 L404 K428 L430L373-I378 HydrophobicContact CD2-CD1 4.06Å; L373-I378 HydrophobicContact CD2-CG1 3.92Å; I378-L399 HydrophobicContact CG1-CD1 3.98Å; I378-L404 HydrophobicContact CG2-CD1 4.07Å; I378-K428 HydrophobicContact CD1-CB 4.32Å; I378-L430 HydrophobicContact CD1-CB 3.96Å; I378-L430 HydrophobicContact CD1-CD1 4.47Å; I378-L430 HydrophobicContact CG2-CD1 4.48Å
379P69.6Low62.8Low14 Ų1468.1 Ų68.19%0.09136%0.362CS..PPolyproline II helixtrans-68.7142.4178.726.7-34000112.3F384 M398 L404P379-F384 HydrophobicContact CB-CE2 4.45Å; P379-F384 HydrophobicContact CB-CZ 3.95Å; P379-F384 HydrophobicContact CG-CZ 3.77Å; P379-M398 HydrophobicContact CB-CE 3.82Å; P379-L404 HydrophobicContact CG-CD2 3.94Å
380R65.3Low60.4Low92 Ų9271.9 Ų71.935%0.34739%0.393SS..PPolyproline II helixtrans-74.8147.8175.8-68.7-174.7179.9-161.9-7.2111.1E382 A383 L502R380-E382 PolarHBondContact O-N 3.23Å; R380-E382 VanDerWaalsContact O-N 3.11Å; R380-A383 WeakPolarHBondContact O-CB 3.46Å; R380-A383 PolarHBondContact O-N 2.95Å; R380-L502 PolarHBondContact NH2-O 3.21Å
381P55.2Low58Low75 Ų7573.1 Ų73.149%0.48741%0.408SS..G310 helixtrans-52.8-33.6175.2-2734.5000114.1A383 F384P381-A383 VanDerWaalsContact C-N 3.32Å; P381-A383 PolarHBondContact O-N 3.11Å; P381-F384 WeakPolarHBondContact O-CD2 3.44Å; P381-F384 PolarHBondContact O-N 3.13Å
382E50.8Low56Low113 Ų11380.4 Ų80.453%0.52844%0.441SS..G310 helixtrans-70.8-25-179-61164156.900113.5R380 F384 S385R380-E382 PolarHBondContact O-N 3.23Å; R380-E382 VanDerWaalsContact O-N 3.11Å; E382-F384 PolarHBondContact O-N 2.87Å; E382-S385 PolarHBondContact O-N 3.09Å
383A50.6Low53.7Low49 Ų4987.8 Ų87.841%0.40548%0.475SS..G310 helixtrans-68-17.8177.800000112.5R380 P381R380-A383 WeakPolarHBondContact O-CB 3.46Å; R380-A383 PolarHBondContact O-N 2.95Å; P381-A383 VanDerWaalsContact C-N 3.32Å; P381-A383 PolarHBondContact O-N 3.11Å
384F48.4Very low51.6Low112 Ų11291.6 Ų91.649%0.49150%0.502SS..G310 helixtrans-84.3-18.7177.1-57.8-67.7000113.4P379 P381 E382 L401 L404P379-F384 HydrophobicContact CB-CE2 4.45Å; P379-F384 HydrophobicContact CB-CZ 3.95Å; P379-F384 HydrophobicContact CG-CZ 3.77Å; P381-F384 WeakPolarHBondContact O-CD2 3.44Å; P381-F384 PolarHBondContact O-N 3.13Å; E382-F384 PolarHBondContact O-N 2.87Å; F384-L401 HydrophobicContact CD1-CD1 4.48Å; F384-L401 HydrophobicContact CE1-CD1 3.68Å; F384-L401 HydrophobicContact CZ-CD1 4.01Å; F384-L404 HydrophobicContact CZ-CD2 4.47Å
385S40.5Very low50.1Low101 Ų10193 Ų9371%0.70653%0.531SS*.THydrogen-bonded Turntrans-99.7-26.2-172.9-178.60000113.8E382E382-S385 PolarHBondContact O-N 3.09Å
386K37Very low49.4Very low140 Ų14094 Ų9461%0.60954%0.535SS*.SBendtrans-136.8126.8175.2-65.1179.41801750107.1F388K386-F388 HydrophobicContact CB-CD2 3.73Å; K386-F388 HydrophobicContact CB-CE2 4.3Å; K386-F388 HydrophobicContact CD-CD2 4.37Å; K386-F388 HydrophobicContact CD-CE2 4.18Å; K386-F388 PolarHBondContact O-N 3.34Å
387G33Very low48.9Very low87 Ų8797 Ų9790%0.89755%0.553SS**  trans-64.454.3175.600000113.6L389G387-L389 PolarHBondContact O-N 3.27Å
388F33.1Very low48.9Very low166 Ų16698 Ų9873%0.72856%0.563SS**  trans-76.7101.9173.2-98.7-87.6000108.2K386 A390K386-F388 HydrophobicContact CB-CD2 3.73Å; K386-F388 HydrophobicContact CB-CE2 4.3Å; K386-F388 HydrophobicContact CD-CD2 4.37Å; K386-F388 HydrophobicContact CD-CE2 4.18Å; K386-F388 PolarHBondContact O-N 3.34Å; F388-A390 VanDerWaalsContact C-N 3.26Å; F388-A390 PolarHBondContact O-N 3.42Å
389L35.5Very low49Very low151 Ų15197.5 Ų97.579%0.79156%0.56SS**  trans-58.791.5152-81.1148.9000108.1G387G387-L389 PolarHBondContact O-N 3.27Å
390A32.3Very low49.6Very low79 Ų79102.6 Ų102.665%0.65358%0.581SS**  trans-72.9142.9165.700000109F388F388-A390 VanDerWaalsContact C-N 3.26Å; F388-A390 PolarHBondContact O-N 3.42Å
391P31Very low50.2Low100 Ų100102.1 Ų102.165%0.64959%0.585SS**  trans-65.8139.1-159.425.2-33.3000112.7H393P391-H393 PolarHBondContact O-N 2.85Å
392H37.6Very low51.6Low174 Ų174105 Ų10581%0.80659%0.59SS**  trans-58.873.3168.2-65.6-80.1000111.8
393H33.9Very low53.2Low156 Ų156100.1 Ų100.172%0.72257%0.567SS**  trans-130.9110174-73.1-24.4000109.4P391P391-H393 PolarHBondContact O-N 2.85Å
394C39.5Very low54.9Low87 Ų8798.4 Ų98.459%0.58855%0.551SS**SBendtrans92.6102.8-169.9-154.80000110.5K396C394-K396 PolarHBondContact O-N 3.26Å
395G48.2Very low56.6Low93 Ų93101 Ų10196%0.95956%0.557SS**SBendtrans-61.456.1-173.700000116
396K60.1Low58.7Low80 Ų8098 Ų9835%0.34853%0.533SS..  trans-108.6131.5175-62.4-177176.2-142.10108.1D374 C394D374-K396 WeakPolarHBondContact O-CD 3.31Å; D374-K396 WeakPolarHBondContact O-CE 3.49Å; D374-K396 PolarHBondContact O-NZ 2.89Å; C394-K396 PolarHBondContact O-N 3.26Å
397T69.4Low61.1Low67 Ų6791.4 Ų91.441%0.41150%0.504SS..EExtended strand (participates in β ladder)trans-85.1149.5-179.8-26.40000109.4H375 R376 R377H375-T397 PolarHBondContact O-N 3.19Å; H375-T397 VanDerWaalsContact O-N 3.15Å; R376-T397 CarbonylContact C-O 3.59Å; R376-T397 VanDerWaalsContact CA-O 3.26Å; R376-T397 WeakPolarHBondContact CA-O 3.4Å; R376-T397 VanDerWaalsContact NH1-CB 3.35Å; R376-T397 PolarHBondContact NH1-OG1 3.07Å; R377-T397 PolarHBondContact N-O 2.68Å
398M78Confident63.6Low105 Ų10588.2 Ų88.252%0.51747%0.467SS..EExtended strand (participates in β ladder)trans-86145.2173.3-62.5-164.780.400110.3P379 K400P379-M398 HydrophobicContact CB-CE 3.82Å; M398-K400 PolarHBondContact O-N 3.15Å
399L79.6Confident66.1Low6 Ų684.4 Ų84.43%0.03146%0.46CS..PPolyproline II helixtrans-60.8132.2169.6-76170.8000109.8L352 W357 L373 R376 R377 I378 E403L352-L399 HydrophobicContact CD1-CD2 3.83Å; W357-L399 HydrophobicContact CH2-CD1 4.45Å; W357-L399 HydrophobicContact CH2-CD2 4.34Å; W357-L399 HydrophobicContact CZ2-CD1 4.37Å; W357-L399 HydrophobicContact CZ2-CD2 3.86Å; L373-L399 HydrophobicContact CD2-CD1 4.34Å; R376-L399 HydrophobicContact CB-CD2 3.82Å; R376-L399 HydrophobicContact CB-CG 3.98Å; R376-L399 HydrophobicContact CG-CD2 4.32Å; R377-L399 PolarHBondContact O-N 3.06Å; I378-L399 HydrophobicContact CG1-CD1 3.98Å; L399-E403 WeakPolarHBondContact CA-OE2 3.35Å; L399-E403 HydrophobicContact CD2-CB 4.02Å
400K81.7Confident68.5Low122 Ų12277.7 Ų77.753%0.5343%0.425SS..PPolyproline II helixtrans-68.1152.6171.9-63.5172-175.6161.80109M398 K402 E403 L404M398-K400 PolarHBondContact O-N 3.15Å; K400-K402 PolarHBondContact O-N 3Å; K400-K402 VanDerWaalsContact O-N 3.15Å; K400-E403 HydrophobicContact CB-CG 4.05Å; K400-E403 PolarHBondContact N-OE2 3.28Å; K400-E403 WeakPolarHBondContact O-CB 3.16Å; K400-E403 PolarHBondContact O-N 3.07Å; K400-L404 PolarHBondContact O-N 3.13Å
401L79.7Confident71Confident81 Ų8173.9 Ų73.942%0.42439%0.394SS..Hα-helixtrans-56.5-35.1178.9-176.967.1000112.5F384 R405F384-L401 HydrophobicContact CD1-CD1 4.48Å; F384-L401 HydrophobicContact CE1-CD1 3.68Å; F384-L401 HydrophobicContact CZ-CD1 4.01Å; L401-R405 WeakPolarHBondContact O-CG 3.31Å; L401-R405 PolarHBondContact O-N 3.12Å; L401-R405 VanDerWaalsContact O-N 3.07Å
402K83.4Confident73.6Confident137 Ų13770.5 Ų70.560%0.59637%0.37SS*.Hα-helixtrans-62.9-49.4175.3-171.2-174176.1-158.60111.3K400 L404 R405 E406K400-K402 PolarHBondContact O-N 3Å; K400-K402 VanDerWaalsContact O-N 3.15Å; K402-L404 VanDerWaalsContact C-N 3.32Å; K402-L404 PolarHBondContact O-N 3.3Å; K402-R405 PolarHBondContact O-N 3.02Å; K402-E406 WeakPolarHBondContact CE-OE1 3.26Å; K402-E406 IonicContact NZ-OE1 3.74Å; K402-E406 PolarHBondContact O-N 2.94Å
403E84.8Confident75.9Confident9 Ų965.3 Ų65.34%0.04235%0.353CS..Hα-helixtrans-61.9-39.4179.2-59168.1166.400111.3L352 W357 L399 K400 E406 L407L352-E403 HydrophobicContact CB-CG 4.48Å; W357-E403 PolarHBondContact NE1-O 2.9Å; L399-E403 WeakPolarHBondContact CA-OE2 3.35Å; L399-E403 HydrophobicContact CD2-CB 4.02Å; K400-E403 HydrophobicContact CB-CG 4.05Å; K400-E403 PolarHBondContact N-OE2 3.28Å; K400-E403 WeakPolarHBondContact O-CB 3.16Å; K400-E403 PolarHBondContact O-N 3.07Å; E403-E406 PolarHBondContact O-N 3.31Å; E403-L407 WeakPolarHBondContact O-CB 3.46Å; E403-L407 PolarHBondContact O-N 3.27Å
404L85.1Confident78.2Confident14 Ų1459.4 Ų59.47%0.07333%0.326CS..Hα-helixtrans-64.8-41.3175.9-179.364.8000112.3I378 P379 F384 K400 K402 E406 L407 V408 L430I378-L404 HydrophobicContact CG2-CD1 4.07Å; P379-L404 HydrophobicContact CG-CD2 3.94Å; F384-L404 HydrophobicContact CZ-CD2 4.47Å; K400-L404 PolarHBondContact O-N 3.13Å; K402-L404 VanDerWaalsContact C-N 3.32Å; K402-L404 PolarHBondContact O-N 3.3Å; L404-E406 VanDerWaalsContact C-N 3.34Å; L404-L407 HydrophobicContact CD1-CD2 4.19Å; L404-L407 WeakPolarHBondContact O-CB 3.38Å; L404-L407 PolarHBondContact O-N 3.25Å; L404-V408 WeakPolarHBondContact O-CG2 3.42Å; L404-V408 PolarHBondContact O-N 2.88Å; L404-V408 VanDerWaalsContact O-N 3.1Å; L404-L430 HydrophobicContact CD1-CD1 3.94Å
405R84.2Confident80.4Confident165 Ų16555.6 Ų55.662%0.62330%0.3SS*.Hα-helixtrans-63.1-43.9176-75175.1179.5-170.5-0.1110.9L401 K402 V408 C409L401-R405 WeakPolarHBondContact O-CG 3.31Å; L401-R405 PolarHBondContact O-N 3.12Å; L401-R405 VanDerWaalsContact O-N 3.07Å; K402-R405 PolarHBondContact O-N 3.02Å; R405-V408 PolarHBondContact O-N 3.18Å; R405-C409 WeakPolarHBondContact O-CB 3.38Å; R405-C409 PolarHBondContact O-N 3.05Å; R405-C409 PolarHBondContact O-SG 3.19Å
406E85.8Confident81.9Confident40 Ų4055.5 Ų55.519%0.18728%0.278CS..Hα-helixtrans-64.3-42.3177.5-70.2-177.3-153.300111.9N353 A354 K402 E403 L404 V408 C409 V410N353-E406 VanDerWaalsContact C-OE2 3.22Å; N353-E406 WeakPolarHBondContact CA-OE2 3.47Å; A354-E406 PolarHBondContact N-OE2 2.99Å; K402-E406 WeakPolarHBondContact CE-OE1 3.26Å; K402-E406 IonicContact NZ-OE1 3.74Å; K402-E406 PolarHBondContact O-N 2.94Å; E403-E406 PolarHBondContact O-N 3.31Å; L404-E406 VanDerWaalsContact C-N 3.34Å; E406-V408 VanDerWaalsContact C-N 3.35Å; E406-V408 PolarHBondContact O-N 3.08Å; E406-C409 PolarHBondContact O-N 2.95Å; E406-V410 WeakPolarHBondContact O-CB 3.49Å; E406-V410 VanDerWaalsContact O-CG2 3.32Å; E406-V410 WeakPolarHBondContact O-CG2 3.31Å; E406-V410 PolarHBondContact O-N 3.31Å
407L87.7Confident82.9Confident0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-52.5-51.1172.2171.268000111.6W357 L361 E403 L404 V410 A411 L425W357-L407 HydrophobicContact CD2-CB 4.04Å; W357-L407 HydrophobicContact CD2-CD1 3.72Å; W357-L407 HydrophobicContact CD2-CG 4.47Å; W357-L407 HydrophobicContact CE3-CD1 3.4Å; W357-L407 VanDerWaalsContact CE3-CD1 3.4Å; W357-L407 HydrophobicContact CG-CB 4.38Å; W357-L407 HydrophobicContact CG-CD1 4.45Å; W357-L407 HydrophobicContact CH2-CD1 3.98Å; W357-L407 HydrophobicContact CH2-CD2 4.37Å; W357-L407 HydrophobicContact CZ2-CB 4.06Å; W357-L407 HydrophobicContact CZ2-CD1 4.25Å; W357-L407 HydrophobicContact CZ2-CG 4.5Å; W357-L407 HydrophobicContact CZ3-CD1 3.57Å; L361-L407 HydrophobicContact CD1-CD1 3.85Å; L361-L407 HydrophobicContact CD2-CD1 4.48Å; E403-L407 WeakPolarHBondContact O-CB 3.46Å; E403-L407 PolarHBondContact O-N 3.27Å; L404-L407 HydrophobicContact CD1-CD2 4.19Å; L404-L407 WeakPolarHBondContact O-CB 3.38Å; L404-L407 PolarHBondContact O-N 3.25Å; L407-V410 PolarHBondContact O-N 3.5Å; L407-A411 VanDerWaalsContact O-CB 3.28Å; L407-A411 WeakPolarHBondContact O-CB 3.27Å; L407-A411 PolarHBondContact O-N 3.25Å; L407-L425 HydrophobicContact CD1-CD2 4.23Å; L407-L425 HydrophobicContact CD2-CD2 4.2Å
408V85.3Confident83.6Confident20 Ų2048.9 Ų48.912%0.12124%0.243CC..Hα-helixtrans-65.3-44.6-178.9173.90000111.1L404 R405 E406 V410 A411 L412 L430 L434L404-V408 WeakPolarHBondContact O-CG2 3.42Å; L404-V408 PolarHBondContact O-N 2.88Å; L404-V408 VanDerWaalsContact O-N 3.1Å; R405-V408 PolarHBondContact O-N 3.18Å; E406-V408 VanDerWaalsContact C-N 3.35Å; E406-V408 PolarHBondContact O-N 3.08Å; V408-V410 VanDerWaalsContact C-N 3.35Å; V408-V410 PolarHBondContact O-N 3.16Å; V408-A411 PolarHBondContact O-N 3.42Å; V408-L412 HydrophobicContact CG1-CD1 4.09Å; V408-L412 HydrophobicContact CG1-CG 4.49Å; V408-L412 WeakPolarHBondContact O-CB 3.23Å; V408-L412 WeakPolarHBondContact O-CG 3.43Å; V408-L412 PolarHBondContact O-N 3.46Å; V408-L430 HydrophobicContact CG2-CD1 4.25Å; V408-L434 HydrophobicContact CG1-CB 4.4Å; V408-L434 WeakPolarHBondContact CG1-O 3.44Å; V408-L434 HydrophobicContact CG2-CB 4.25Å; V408-L434 HydrophobicContact CG2-CD1 4.39Å
409C85.2Confident83.8Confident87 Ų8744.6 Ų44.659%0.58822%0.224SC*.Hα-helixtrans-59.9-44.6177.6-73.20000112R405 E406 L412 S413R405-C409 WeakPolarHBondContact O-CB 3.38Å; R405-C409 PolarHBondContact O-N 3.05Å; R405-C409 PolarHBondContact O-SG 3.19Å; E406-C409 PolarHBondContact O-N 2.95Å; C409-L412 PolarHBondContact O-N 3.11Å; C409-S413 PolarHBondContact O-N 3.19Å; C409-S413 VanDerWaalsContact O-N 3.17Å
410V85.3Confident83.9Confident9 Ų944.9 Ų44.96%0.05523%0.226CC..Hα-helixtrans-69.4-42179.1175.90000111.1A354 W357 L361 E406 L407 V408 L412 S413 Q414A354-V410 HydrophobicContact CB-CG2 3.96Å; W357-V410 HydrophobicContact CB-CB 4.05Å; W357-V410 HydrophobicContact CB-CG1 4.08Å; W357-V410 HydrophobicContact CB-CG2 4.08Å; L361-V410 HydrophobicContact CD1-CB 4.28Å; L361-V410 HydrophobicContact CD1-CG1 3.98Å; E406-V410 WeakPolarHBondContact O-CB 3.49Å; E406-V410 VanDerWaalsContact O-CG2 3.32Å; E406-V410 WeakPolarHBondContact O-CG2 3.31Å; E406-V410 PolarHBondContact O-N 3.31Å; L407-V410 PolarHBondContact O-N 3.5Å; V408-V410 VanDerWaalsContact C-N 3.35Å; V408-V410 PolarHBondContact O-N 3.16Å; V410-L412 VanDerWaalsContact C-N 3.29Å; V410-L412 PolarHBondContact O-N 2.65Å; V410-S413 WeakPolarHBondContact CA-OG 3.23Å; V410-S413 CarbonylContact O-C 3.56Å; V410-S413 WeakPolarHBondContact O-CA 3.4Å; V410-S413 WeakPolarHBondContact O-CB 3.48Å; V410-S413 PolarHBondContact O-N 2.98Å; V410-S413 PolarHBondContact O-OG 2.82Å; V410-Q414 HydrophobicContact CG1-CG 4.07Å; V410-Q414 WeakPolarHBondContact O-CG 3.47Å; V410-Q414 PolarHBondContact O-N 3.44Å
411A85.4Confident84.1Confident0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-56.4-43.8175.200000111.9L361 L407 V408 S413 Q414 W421 L435L361-A411 HydrophobicContact CD1-CB 3.87Å; L407-A411 VanDerWaalsContact O-CB 3.28Å; L407-A411 WeakPolarHBondContact O-CB 3.27Å; L407-A411 PolarHBondContact O-N 3.25Å; V408-A411 PolarHBondContact O-N 3.42Å; A411-S413 PolarHBondContact O-N 3.14Å; A411-Q414 CarbonylContact O-C 3.5Å; A411-Q414 PolarHBondContact O-N 2.96Å; A411-W421 HydrophobicContact CB-CH2 3.94Å; A411-W421 HydrophobicContact CB-CZ2 4.06Å; A411-W421 HydrophobicContact CB-CZ3 4.21Å; A411-W421 WeakPolarHBondContact O-CZ2 3.37Å; A411-L435 HydrophobicContact CB-CD2 4.34Å
412L85.8Confident84.4Confident28 Ų2835.4 Ų35.415%0.14718%0.182CC..Hα-helixtrans-69.4-15.8175-69.1177000113.9V408 C409 V410 V415 H437 H439 M440V408-L412 HydrophobicContact CG1-CD1 4.09Å; V408-L412 HydrophobicContact CG1-CG 4.49Å; V408-L412 WeakPolarHBondContact O-CB 3.23Å; V408-L412 WeakPolarHBondContact O-CG 3.43Å; V408-L412 PolarHBondContact O-N 3.46Å; C409-L412 PolarHBondContact O-N 3.11Å; V410-L412 VanDerWaalsContact C-N 3.29Å; V410-L412 PolarHBondContact O-N 2.65Å; L412-V415 VanDerWaalsContact O-CG2 3.24Å; L412-V415 WeakPolarHBondContact O-CG2 3.02Å; L412-H437 HydrophobicContact CD1-CB 3.86Å; L412-H437 HydrophobicContact CD2-CB 3.75Å; L412-H437 HydrophobicContact CG-CB 4.45Å; L412-H439 PolarHBondContact O-CD2 3.35Å; L412-M440 HydrophobicContact CD2-CB 4.03Å
413S85Confident84.5Confident66 Ų6629.7 Ų29.746%0.46216%0.159SC..Hα-helixtrans-90.7-25.2171.974.70000113C409 V410 A411C409-S413 PolarHBondContact O-N 3.19Å; C409-S413 VanDerWaalsContact O-N 3.17Å; V410-S413 WeakPolarHBondContact CA-OG 3.23Å; V410-S413 CarbonylContact O-C 3.56Å; V410-S413 WeakPolarHBondContact O-CA 3.4Å; V410-S413 WeakPolarHBondContact O-CB 3.48Å; V410-S413 PolarHBondContact O-N 2.98Å; V410-S413 PolarHBondContact O-OG 2.82Å; A411-S413 PolarHBondContact O-N 3.14Å
414Q83.4Confident84.4Confident32 Ų3229.7 Ų29.715%0.1516%0.16CC..  trans-105.740.7-177.3-62.1-64.1-15.300111.7L361 V410 A411 D416 F417 W421L361-Q414 HydrophobicContact CB-CB 4.49Å; V410-Q414 HydrophobicContact CG1-CG 4.07Å; V410-Q414 WeakPolarHBondContact O-CG 3.47Å; V410-Q414 PolarHBondContact O-N 3.44Å; A411-Q414 CarbonylContact O-C 3.5Å; A411-Q414 PolarHBondContact O-N 2.96Å; Q414-D416 PolarHBondContact O-N 3.46Å; Q414-F417 PolarHBondContact O-N 2.88Å; Q414-F417 VanDerWaalsContact O-N 3.13Å; Q414-W421 PolarHBondContact O-NE1 2.95Å; Q414-W421 VanDerWaalsContact O-NE1 3.12Å
415V84.5Confident84.4Confident6 Ų629 Ų294%0.03616%0.156CC..G310 helixtrans-62.7-28.8-1771790000112.1L412 F417 A418 M440 K443 T444L412-V415 VanDerWaalsContact O-CG2 3.24Å; L412-V415 WeakPolarHBondContact O-CG2 3.02Å; V415-F417 PolarHBondContact O-N 3.14Å; V415-F417 VanDerWaalsContact O-N 3.12Å; V415-A418 WeakPolarHBondContact O-CB 3.43Å; V415-A418 PolarHBondContact O-N 3.16Å; V415-M440 HydrophobicContact CB-SD 4.33Å; V415-M440 HydrophobicContact CG1-SD 3.74Å; V415-M440 HydrophobicContact CG2-SD 3.82Å; V415-K443 HydrophobicContact CG1-CB 4.04Å; V415-T444 HydrophobicContact CG1-CG2 3.25Å
416D80.9Confident84.3Confident92 Ų9221.2 Ų21.249%0.49213%0.126SC..G310 helixtrans-61.8-21.1178-55.8-30.4000112.6Q414 P540Q414-D416 PolarHBondContact O-N 3.46Å; D416-P540 HydrophobicContact CB-CG 4.27Å
417F81.7Confident84Confident6 Ų621 Ų213%0.02613%0.127CC..G310 helixtrans-103.28.6176.4-62.5-86.8000113.1L361 Q414 V415 S419 S420 W421 P539 P540L361-F417 WeakPolarHBondContact O-CB 3.47Å; Q414-F417 PolarHBondContact O-N 2.88Å; Q414-F417 VanDerWaalsContact O-N 3.13Å; V415-F417 PolarHBondContact O-N 3.14Å; V415-F417 VanDerWaalsContact O-N 3.12Å; F417-S419 PolarHBondContact O-N 3.22Å; F417-S419 VanDerWaalsContact O-N 3.14Å; F417-S420 WeakPolarHBondContact O-CB 3.48Å; F417-S420 PolarHBondContact O-N 2.97Å; F417-W421 PolarHBondContact O-N 3.06Å; F417-W421 PolarHBondContact O-NE1 3.33Å; F417-P539 HydrophobicContact CD1-CB 3.67Å; F417-P539 HydrophobicContact CD1-CG 4.25Å; F417-P539 HydrophobicContact CE1-CB 3.67Å; F417-P539 HydrophobicContact CE1-CG 4.23Å; F417-P540 HydrophobicContact CE2-CG 4.41Å; F417-P540 HydrophobicContact CZ-CG 4.04Å; F417-P540 WeakPolarHBondContact CZ-O 3.44Å
418A83.9Confident83.6Confident1 Ų123.5 Ų23.51%0.00814%0.138CC..Hα-helixtrans-58.8-29.7-174.100000114.3V415 S420 W421 L422 M440 T444 V448V415-A418 WeakPolarHBondContact O-CB 3.43Å; V415-A418 PolarHBondContact O-N 3.16Å; A418-S420 PolarHBondContact O-N 3.17Å; A418-W421 VanDerWaalsContact CA-CE2 3.42Å; A418-W421 HydrophobicContact CB-CH2 4.1Å; A418-W421 HydrophobicContact CB-CZ2 3.58Å; A418-L422 WeakPolarHBondContact O-CB 3.39Å; A418-L422 PolarHBondContact O-N 3.12Å; A418-M440 HydrophobicContact CB-CE 3.77Å; A418-T444 HydrophobicContact CB-CG2 4.32Å; A418-V448 HydrophobicContact CB-CG1 3.6Å
419S81.9Confident83.2Confident16 Ų1623.6 Ų23.611%0.11214%0.143CC..Hα-helixtrans-57.3-28.5172.957.50000113.3F417 L534F417-S419 PolarHBondContact O-N 3.22Å; F417-S419 VanDerWaalsContact O-N 3.14Å; S419-L534 WeakPolarHBondContact O-CB 3.33Å
420S81.5Confident83.1Confident12 Ų1219.6 Ų19.68%0.08412%0.115CC..Hα-helixtrans-87.9-47.9-177.4-53.50000111.9T366 F417 A418T366-S420 WeakPolarHBondContact CG2-O 3.43Å; F417-S420 WeakPolarHBondContact O-CB 3.48Å; F417-S420 PolarHBondContact O-N 2.97Å; A418-S420 PolarHBondContact O-N 3.17Å
421W86.1Confident82.8Confident4 Ų423.2 Ų23.22%0.01513%0.132CC..Hα-helixtrans-92.9-20.4-171.856.5-108000115.1L361 L369 A411 Q414 F417 A418 S423 V424 L425 L435 M440L361-W421 HydrophobicContact CD2-CB 3.53Å; L361-W421 HydrophobicContact CD2-CD2 4.11Å; L361-W421 HydrophobicContact CD2-CG 3.6Å; L369-W421 HydrophobicContact CD2-CB 3.61Å; A411-W421 HydrophobicContact CB-CH2 3.94Å; A411-W421 HydrophobicContact CB-CZ2 4.06Å; A411-W421 HydrophobicContact CB-CZ3 4.21Å; A411-W421 WeakPolarHBondContact O-CZ2 3.37Å; Q414-W421 PolarHBondContact O-NE1 2.95Å; Q414-W421 VanDerWaalsContact O-NE1 3.12Å; F417-W421 PolarHBondContact O-N 3.06Å; F417-W421 PolarHBondContact O-NE1 3.33Å; A418-W421 VanDerWaalsContact CA-CE2 3.42Å; A418-W421 HydrophobicContact CB-CH2 4.1Å; A418-W421 HydrophobicContact CB-CZ2 3.58Å; W421-S423 PolarHBondContact O-N 2.83Å; W421-V424 PolarHBondContact O-N 3.22Å; W421-L425 HydrophobicContact CD2-CD1 4.3Å; W421-L425 HydrophobicContact CE3-CD1 3.39Å; W421-L425 HydrophobicContact CE3-CG 4.11Å; W421-L425 HydrophobicContact CZ3-CD1 3.79Å; W421-L425 WeakPolarHBondContact O-CG 3.23Å; W421-L425 PolarHBondContact O-N 3.15Å; W421-L435 HydrophobicContact CH2-CD2 4.39Å; W421-L435 HydrophobicContact CZ3-CD1 4Å; W421-L435 HydrophobicContact CZ3-CD2 4.34Å; W421-M440 HydrophobicContact CH2-CE 3.68Å; W421-M440 HydrophobicContact CH2-SD 4.24Å; W421-M440 HydrophobicContact CZ2-CE 4.28Å; W421-M440 HydrophobicContact CZ3-CE 4.49Å
422L86.4Confident82.7Confident0 Ų023.9 Ų23.90%014%0.136CC..Hα-helixtrans-64.4-46.4-169.9179.463.3000112.9A418 V424 L425 L426 L435 V448 Y451 L452 L534A418-L422 WeakPolarHBondContact O-CB 3.39Å; A418-L422 PolarHBondContact O-N 3.12Å; L422-V424 VanDerWaalsContact C-N 3.3Å; L422-V424 PolarHBondContact O-N 3.11Å; L422-L425 PolarHBondContact O-N 3.32Å; L422-L426 HydrophobicContact CD1-CD1 3.9Å; L422-L426 HydrophobicContact CD1-CG 4.06Å; L422-L426 HydrophobicContact CG-CD1 4.12Å; L422-L426 WeakPolarHBondContact O-CB 3.49Å; L422-L426 WeakPolarHBondContact O-CG 3.46Å; L422-L426 PolarHBondContact O-N 3.07Å; L422-L435 HydrophobicContact CD1-CD1 3.57Å; L422-V448 HydrophobicContact CD2-CG1 3.71Å; L422-Y451 HydrophobicContact CD2-CD1 3.76Å; L422-Y451 HydrophobicContact CG-CD1 4.01Å; L422-Y451 HydrophobicContact CG-CE1 4.3Å; L422-L452 HydrophobicContact CD1-CD1 4.16Å; L422-L452 HydrophobicContact CD2-CB 4.07Å; L422-L534 HydrophobicContact CB-CD1 4.31Å; L422-L534 HydrophobicContact CD2-CD1 4.22Å
423S84.4Confident82.6Confident16 Ų1625.1 Ų25.111%0.11215%0.147CC..Hα-helixtrans-58.9-43.7177.456.60000111.1W421 N427W421-S423 PolarHBondContact O-N 2.83Å; S423-N427 WeakPolarHBondContact O-CB 3.41Å; S423-N427 PolarHBondContact O-N 3.42Å; S423-N427 PolarHBondContact O-ND2 3.36Å
424V82.5Confident82.5Confident10 Ų1025.4 Ų25.46%0.06114%0.143CC..Hα-helixtrans-63-50.6179.4-177.40000111.2T366 L369 E370 L373 W421 L422 L426 N427 K428T366-V424 HydrophobicContact CG2-CG2 3.75Å; L369-V424 HydrophobicContact CD2-CB 3.98Å; L369-V424 HydrophobicContact CD2-CG1 3.89Å; L369-V424 HydrophobicContact CG-CG1 4Å; E370-V424 HydrophobicContact CG-CG1 3.7Å; E370-V424 HydrophobicContact CG-CG2 4.3Å; L373-V424 HydrophobicContact CD1-CG1 4.11Å; W421-V424 PolarHBondContact O-N 3.22Å; L422-V424 VanDerWaalsContact C-N 3.3Å; L422-V424 PolarHBondContact O-N 3.11Å; V424-L426 PolarHBondContact O-N 3.24Å; V424-N427 PolarHBondContact O-N 3.24Å; V424-K428 HydrophobicContact CG1-CG 4.35Å; V424-K428 WeakPolarHBondContact O-CB 3.44Å; V424-K428 VanDerWaalsContact O-CG 3.25Å; V424-K428 WeakPolarHBondContact O-CG 3.27Å; V424-K428 PolarHBondContact O-N 3.48Å
425L85.3Confident82.6Confident0 Ų023.9 Ų23.90%014%0.136CC..Hα-helixtrans-61.7-43.6-179.3-70-174.8000111.9L361 L369 L373 L407 W421 L422 K428 G429 L430L361-L425 HydrophobicContact CD2-CD1 4.35Å; L369-L425 HydrophobicContact CD1-CD2 4.1Å; L369-L425 HydrophobicContact CD2-CD2 4.22Å; L369-L425 HydrophobicContact CD2-CG 4.34Å; L373-L425 HydrophobicContact CD1-CD2 3.81Å; L407-L425 HydrophobicContact CD1-CD2 4.23Å; L407-L425 HydrophobicContact CD2-CD2 4.2Å; W421-L425 HydrophobicContact CD2-CD1 4.3Å; W421-L425 HydrophobicContact CE3-CD1 3.39Å; W421-L425 HydrophobicContact CE3-CG 4.11Å; W421-L425 HydrophobicContact CZ3-CD1 3.79Å; W421-L425 WeakPolarHBondContact O-CG 3.23Å; W421-L425 PolarHBondContact O-N 3.15Å; L422-L425 PolarHBondContact O-N 3.32Å; L425-K428 PolarHBondContact O-N 3.2Å; L425-G429 PolarHBondContact O-N 3.49Å; L425-L430 HydrophobicContact CB-CB 4.06Å; L425-L430 HydrophobicContact CB-CD2 3.88Å; L425-L430 HydrophobicContact CD1-CD2 3.77Å; L425-L430 HydrophobicContact CG-CD2 4.33Å; L425-L430 VanDerWaalsContact O-CB 3.31Å; L425-L430 WeakPolarHBondContact O-CB 3.41Å; L425-L430 PolarHBondContact O-N 2.9Å
426L83.3Confident82.5Confident0 Ų025.2 Ų25.20%014%0.143CC..Hα-helixtrans-67.7-40.6177.7-66.2-175.2000111.3L422 V424 K428 G429 P432 Y451 F455 R499L422-L426 HydrophobicContact CD1-CD1 3.9Å; L422-L426 HydrophobicContact CD1-CG 4.06Å; L422-L426 HydrophobicContact CG-CD1 4.12Å; L422-L426 WeakPolarHBondContact O-CB 3.49Å; L422-L426 WeakPolarHBondContact O-CG 3.46Å; L422-L426 PolarHBondContact O-N 3.07Å; V424-L426 PolarHBondContact O-N 3.24Å; L426-K428 VanDerWaalsContact C-N 3.31Å; L426-K428 PolarHBondContact O-N 3.31Å; L426-G429 PolarHBondContact O-N 2.86Å; L426-P432 HydrophobicContact CD2-CB 4.21Å; L426-P432 HydrophobicContact CD2-CG 3.83Å; L426-Y451 HydrophobicContact CD1-CD1 4.36Å; L426-Y451 HydrophobicContact CD1-CE1 3.99Å; L426-F455 HydrophobicContact CD1-CB 4.32Å; L426-F455 HydrophobicContact CD1-CD2 3.54Å; L426-F455 HydrophobicContact CD1-CE2 3.91Å; L426-F455 HydrophobicContact CD1-CG 3.9Å; L426-R499 PolarHBondContact O-NH2 3.28Å
427N78.9Confident82.8Confident36 Ų3625.3 Ų25.319%0.19314%0.14CC..Hα-helixtrans-64.4-34.5176-75.4-20.9000112.6S423 V424 G429S423-N427 WeakPolarHBondContact O-CB 3.41Å; S423-N427 PolarHBondContact O-N 3.42Å; S423-N427 PolarHBondContact O-ND2 3.36Å; V424-N427 PolarHBondContact O-N 3.24Å; N427-G429 VanDerWaalsContact C-N 3.3Å
428K78.9Confident83Confident53 Ų5327.2 Ų27.223%0.2315%0.153CC..THydrogen-bonded Turntrans-85.10.1176.4-62.6-70.4-174.6-176.80113.9L373 D374 I378 V424 L425 L426L373-K428 HydrophobicContact CB-CB 4.3Å; L373-K428 HydrophobicContact CB-CD 4.08Å; L373-K428 HydrophobicContact CB-CG 3.9Å; L373-K428 HydrophobicContact CD1-CB 3.95Å; L373-K428 HydrophobicContact CD1-CG 3.78Å; L373-K428 HydrophobicContact CG-CG 4.45Å; D374-K428 IonicContact OD1-NZ 3.44Å; D374-K428 PolarHBondContact OD1-NZ 3.42Å; I378-K428 HydrophobicContact CD1-CB 4.32Å; V424-K428 HydrophobicContact CG1-CG 4.35Å; V424-K428 WeakPolarHBondContact O-CB 3.44Å; V424-K428 VanDerWaalsContact O-CG 3.25Å; V424-K428 WeakPolarHBondContact O-CG 3.27Å; V424-K428 PolarHBondContact O-N 3.48Å; L425-K428 PolarHBondContact O-N 3.2Å; L426-K428 VanDerWaalsContact C-N 3.31Å; L426-K428 PolarHBondContact O-N 3.31Å
429G76.6Confident83Confident22 Ų2230.1 Ų30.123%0.22717%0.166CC..THydrogen-bonded Turntrans95.124.9167.500000118.5L425 L426 N427L425-G429 PolarHBondContact O-N 3.49Å; L426-G429 PolarHBondContact O-N 2.86Å; N427-G429 VanDerWaalsContact C-N 3.3Å
430L83.1Confident83.2Confident2 Ų229.3 Ų29.31%0.0116%0.161CC..  trans-61.5136.5162-167.566.4000110.4I378 L404 V408 L425 P432 L434 L435I378-L430 HydrophobicContact CD1-CB 3.96Å; I378-L430 HydrophobicContact CD1-CD1 4.47Å; I378-L430 HydrophobicContact CG2-CD1 4.48Å; L404-L430 HydrophobicContact CD1-CD1 3.94Å; V408-L430 HydrophobicContact CG2-CD1 4.25Å; L425-L430 HydrophobicContact CB-CB 4.06Å; L425-L430 HydrophobicContact CB-CD2 3.88Å; L425-L430 HydrophobicContact CD1-CD2 3.77Å; L425-L430 HydrophobicContact CG-CD2 4.33Å; L425-L430 VanDerWaalsContact O-CB 3.31Å; L425-L430 WeakPolarHBondContact O-CB 3.41Å; L425-L430 PolarHBondContact O-N 2.9Å; L430-P432 WeakPolarHBondContact O-CD 3.47Å; L430-L434 HydrophobicContact CD1-CD1 4.06Å; L430-L435 HydrophobicContact CD2-CD1 3.9Å; L430-L435 HydrophobicContact CD2-CD2 4.01Å; L430-L435 HydrophobicContact CD2-CG 3.98Å
431E80Confident83.4Confident86 Ų8628.8 Ų28.840%0.40216%0.157SC..  trans-73.2122174.9-164.7-171.7156.600109.6S433 L434E431-S433 VanDerWaalsContact CG-OG 3.3Å; E431-S433 WeakPolarHBondContact CG-OG 3.45Å; E431-S433 PolarHBondContact O-N 2.97Å; E431-S433 VanDerWaalsContact O-N 3.14Å; E431-S433 PolarHBondContact OE1-OG 3.39Å; E431-L434 HydrophobicContact CB-CD1 4.07Å; E431-L434 HydrophobicContact CB-CG 4.16Å; E431-L434 WeakPolarHBondContact O-CB 3.42Å; E431-L434 PolarHBondContact O-N 3.32Å; E431-L434 VanDerWaalsContact O-N 3.13Å
432P83.7Confident83.3Confident13 Ų1333.7 Ų33.78%0.08418%0.18CC..G310 helixtrans-58.3-29.3-177.4-23.130.6000113.8L426 L430 L434 L435 L452 F455 V456L426-P432 HydrophobicContact CD2-CB 4.21Å; L426-P432 HydrophobicContact CD2-CG 3.83Å; L430-P432 WeakPolarHBondContact O-CD 3.47Å; P432-L434 PolarHBondContact O-N 3.2Å; P432-L435 PolarHBondContact O-N 2.99Å; P432-L452 HydrophobicContact CB-CD1 4.37Å; P432-F455 HydrophobicContact CB-CB 4.08Å; P432-F455 HydrophobicContact CG-CB 3.54Å; P432-F455 WeakPolarHBondContact CG-O 3.46Å; P432-V456 HydrophobicContact CB-CG2 3.63Å
433S81.9Confident83.1Confident54 Ų5439 Ų3938%0.37820%0.203SC..G310 helixtrans-60.6-30.1179.5660000112.9E431 L435 L436E431-S433 VanDerWaalsContact CG-OG 3.3Å; E431-S433 WeakPolarHBondContact CG-OG 3.45Å; E431-S433 PolarHBondContact O-N 2.97Å; E431-S433 VanDerWaalsContact O-N 3.14Å; E431-S433 PolarHBondContact OE1-OG 3.39Å; S433-L435 PolarHBondContact O-N 3.34Å; S433-L436 PolarHBondContact O-N 3.47Å
434L83Confident83.1Confident73 Ų7338.4 Ų38.438%0.38220%0.199SC..G310 helixtrans-68.7-21178.2-61.5174.4000112.6V408 L430 E431 P432V408-L434 HydrophobicContact CG1-CB 4.4Å; V408-L434 WeakPolarHBondContact CG1-O 3.44Å; V408-L434 HydrophobicContact CG2-CB 4.25Å; V408-L434 HydrophobicContact CG2-CD1 4.39Å; L430-L434 HydrophobicContact CD1-CD1 4.06Å; E431-L434 HydrophobicContact CB-CD1 4.07Å; E431-L434 HydrophobicContact CB-CG 4.16Å; E431-L434 WeakPolarHBondContact O-CB 3.42Å; E431-L434 PolarHBondContact O-N 3.32Å; E431-L434 VanDerWaalsContact O-N 3.13Å; P432-L434 PolarHBondContact O-N 3.2Å
435L85.4Confident83.1Confident0 Ų042.5 Ų42.50%022%0.22CC..G310 helixtrans-95.5-7.4178.5-61178.1000113A411 W421 L422 L430 P432 S433 H437 M440 L452A411-L435 HydrophobicContact CB-CD2 4.34Å; W421-L435 HydrophobicContact CH2-CD2 4.39Å; W421-L435 HydrophobicContact CZ3-CD1 4Å; W421-L435 HydrophobicContact CZ3-CD2 4.34Å; L422-L435 HydrophobicContact CD1-CD1 3.57Å; L430-L435 HydrophobicContact CD2-CD1 3.9Å; L430-L435 HydrophobicContact CD2-CD2 4.01Å; L430-L435 HydrophobicContact CD2-CG 3.98Å; P432-L435 PolarHBondContact O-N 2.99Å; S433-L435 PolarHBondContact O-N 3.34Å; L435-H437 PolarHBondContact O-N 2.96Å; L435-M440 WeakPolarHBondContact O-CB 3.42Å; L435-L452 HydrophobicContact CB-CD1 4.28Å; L435-L452 HydrophobicContact CD1-CD1 4.38Å
436L84.3Confident83Confident34 Ų3443.9 Ų43.918%0.17823%0.23CC..  trans-77.171.4179.4-69173.5000111.5S433 L441 L452 V456 L461 L465S433-L436 PolarHBondContact O-N 3.47Å; L436-L441 HydrophobicContact CD2-CD2 4.49Å; L436-L452 HydrophobicContact CD2-CD2 4.24Å; L436-V456 HydrophobicContact CD1-CB 4.46Å; L436-V456 HydrophobicContact CD1-CG1 3.59Å; L436-V456 HydrophobicContact CD1-CG2 3.95Å; L436-V456 HydrophobicContact CD2-CG1 4.37Å; L436-V456 HydrophobicContact CD2-CG2 4.13Å; L436-V456 HydrophobicContact CG-CG2 4.25Å; L436-L461 HydrophobicContact CD1-CD2 3.86Å; L436-L461 HydrophobicContact CD2-CD2 4.1Å; L436-L465 HydrophobicContact CB-CD1 4.18Å
437H86.3Confident83Confident93 Ų9349.1 Ų49.143%0.43126%0.258SS..  trans-114.5146.5178-165.8-94.4000110.7L412 L435 H439 M440 L441L412-H437 HydrophobicContact CD1-CB 3.86Å; L412-H437 HydrophobicContact CD2-CB 3.75Å; L412-H437 HydrophobicContact CG-CB 4.45Å; L435-H437 PolarHBondContact O-N 2.96Å; H437-H439 PolarHBondContact ND1-N 3.44Å; H437-H439 PolarHBondContact O-N 2.89Å; H437-H439 VanDerWaalsContact O-N 3.13Å; H437-M440 WeakPolarHBondContact O-CB 3.34Å; H437-M440 PolarHBondContact O-N 3.26Å; H437-L441 PolarHBondContact O-N 3.1Å
438P85Confident83.3Confident47 Ų4747.7 Ų47.731%0.30525%0.25SS..Hα-helixtrans-47.1-45178-32.837.5000113.6M440 L441 E442 L465 I468P438-M440 VanDerWaalsContact C-N 3.33Å; P438-M440 PolarHBondContact O-N 3.07Å; P438-L441 PolarHBondContact O-N 3.06Å; P438-L441 VanDerWaalsContact O-N 3.17Å; P438-E442 WeakPolarHBondContact O-CB 3.33Å; P438-E442 VanDerWaalsContact O-CG 3.31Å; P438-E442 WeakPolarHBondContact O-CG 3.3Å; P438-E442 PolarHBondContact O-N 3.09Å; P438-L465 HydrophobicContact CG-CD2 4.02Å; P438-I468 HydrophobicContact CB-CD1 3.64Å; P438-I468 HydrophobicContact CG-CD1 4.18Å
439H85.3Confident83.6Confident61 Ų6145.2 Ų45.228%0.28224%0.24SC..Hα-helixtrans-58.9-39.2179.5-16170.3000114.1L412 H437 K443L412-H439 PolarHBondContact O-CD2 3.35Å; H437-H439 PolarHBondContact ND1-N 3.44Å; H437-H439 PolarHBondContact O-N 2.89Å; H437-H439 VanDerWaalsContact O-N 3.13Å; H439-K443 WeakPolarHBondContact CE1-CE 3.47Å; H439-K443 PolarHBondContact CE1-NZ 3.03Å; H439-K443 WeakPolarHBondContact O-CB 3.49Å; H439-K443 PolarHBondContact O-N 2.94Å; H439-K443 VanDerWaalsContact O-N 3.16Å
440M85.1Confident84.1Confident0 Ų044.5 Ų44.50%023%0.231CC..Hα-helixtrans-65.4-49.8176.8-171.472.3173.500109.4L412 V415 A418 W421 L435 H437 P438 E442 K443 T444 V448 L452L412-M440 HydrophobicContact CD2-CB 4.03Å; V415-M440 HydrophobicContact CB-SD 4.33Å; V415-M440 HydrophobicContact CG1-SD 3.74Å; V415-M440 HydrophobicContact CG2-SD 3.82Å; A418-M440 HydrophobicContact CB-CE 3.77Å; W421-M440 HydrophobicContact CH2-CE 3.68Å; W421-M440 HydrophobicContact CH2-SD 4.24Å; W421-M440 HydrophobicContact CZ2-CE 4.28Å; W421-M440 HydrophobicContact CZ3-CE 4.49Å; L435-M440 WeakPolarHBondContact O-CB 3.42Å; H437-M440 WeakPolarHBondContact O-CB 3.34Å; H437-M440 PolarHBondContact O-N 3.26Å; P438-M440 VanDerWaalsContact C-N 3.33Å; P438-M440 PolarHBondContact O-N 3.07Å; M440-E442 VanDerWaalsContact C-N 3.3Å; M440-E442 PolarHBondContact O-N 3.38Å; M440-K443 PolarHBondContact O-N 2.86Å; M440-T444 HydrophobicContact CE-CG2 3.63Å; M440-T444 HydrophobicContact CG-CG2 3.95Å; M440-T444 WeakPolarHBondContact O-CB 3.16Å; M440-T444 VanDerWaalsContact O-CG2 3.25Å; M440-T444 WeakPolarHBondContact O-CG2 3.1Å; M440-T444 PolarHBondContact O-N 3.22Å; M440-T444 VanDerWaalsContact O-N 3.1Å; M440-T444 PolarHBondContact O-OG1 3.04Å; M440-T444 HydrophobicContact SD-CG2 3.55Å; M440-T444 VanDerWaalsContact SD-CG2 3.55Å; M440-V448 HydrophobicContact CE-CG1 4.16Å; M440-L452 HydrophobicContact CE-CD2 4.5Å; M440-L452 HydrophobicContact CG-CD2 4.17Å
441L85.5Confident84.2Confident1 Ų145 Ų451%0.00523%0.233CC..Hα-helixtrans-65.9-30.8-178.1-56.5-174.8000113.2L436 H437 P438 L449 L465 I468 L469 R472L436-L441 HydrophobicContact CD2-CD2 4.49Å; H437-L441 PolarHBondContact O-N 3.1Å; P438-L441 PolarHBondContact O-N 3.06Å; P438-L441 VanDerWaalsContact O-N 3.17Å; L441-L449 HydrophobicContact CD2-CD1 3.51Å; L441-L465 HydrophobicContact CD1-CB 3.75Å; L441-L465 HydrophobicContact CD1-CD1 4.49Å; L441-L465 HydrophobicContact CD1-CD2 3.59Å; L441-L465 HydrophobicContact CD1-CG 4.1Å; L441-I468 HydrophobicContact CB-CG2 3.9Å; L441-L469 HydrophobicContact CD1-CD2 4.46Å; L441-L469 HydrophobicContact CD1-CG 4.38Å; L441-L469 HydrophobicContact CD2-CD2 4.41Å; L441-R472 WeakPolarHBondContact O-CD 3.31Å; L441-R472 PolarHBondContact O-NH1 3.19Å
442E84.8Confident84.5Confident107 Ų10741 Ų4150%0.521%0.214SC..Hα-helixtrans-78-36.5179.7-75170.3-167.500113.2P438 M440 I468 R472P438-E442 WeakPolarHBondContact O-CB 3.33Å; P438-E442 VanDerWaalsContact O-CG 3.31Å; P438-E442 WeakPolarHBondContact O-CG 3.3Å; P438-E442 PolarHBondContact O-N 3.09Å; M440-E442 VanDerWaalsContact C-N 3.3Å; M440-E442 PolarHBondContact O-N 3.38Å; E442-I468 HydrophobicContact CG-CG2 3.7Å; E442-R472 VanDerWaalsContact C-NH1 3.25Å; E442-R472 PolarHBondContact O-NH1 2.72Å
443K82.8Confident84.5Confident110 Ų11040.5 Ų40.548%0.47821%0.211SC..Hα-helixtrans-103.6-23.7-169.6-75-158.6175.3179.30116.1V415 H439 M440V415-K443 HydrophobicContact CG1-CB 4.04Å; H439-K443 WeakPolarHBondContact CE1-CE 3.47Å; H439-K443 PolarHBondContact CE1-NZ 3.03Å; H439-K443 WeakPolarHBondContact O-CB 3.49Å; H439-K443 PolarHBondContact O-N 2.94Å; H439-K443 VanDerWaalsContact O-N 3.16Å; M440-K443 PolarHBondContact O-N 2.86Å
444T83.4Confident84.7Confident4 Ų438.6 Ų38.63%0.02520%0.196CC..SBendtrans-68.4153.2-177.451.60000112.8V415 A418 M440 V448 R472V415-T444 HydrophobicContact CG1-CG2 3.25Å; A418-T444 HydrophobicContact CB-CG2 4.32Å; M440-T444 HydrophobicContact CE-CG2 3.63Å; M440-T444 HydrophobicContact CG-CG2 3.95Å; M440-T444 WeakPolarHBondContact O-CB 3.16Å; M440-T444 VanDerWaalsContact O-CG2 3.25Å; M440-T444 WeakPolarHBondContact O-CG2 3.1Å; M440-T444 PolarHBondContact O-N 3.22Å; M440-T444 VanDerWaalsContact O-N 3.1Å; M440-T444 PolarHBondContact O-OG1 3.04Å; M440-T444 HydrophobicContact SD-CG2 3.55Å; M440-T444 VanDerWaalsContact SD-CG2 3.55Å; T444-V448 HydrophobicContact CG2-CB 4.38Å; T444-V448 HydrophobicContact CG2-CG1 3.74Å; T444-R472 VanDerWaalsContact O-CZ 3.3Å; T444-R472 PolarHBondContact O-NH1 3.05Å; T444-R472 PolarHBondContact O-NH2 3.5Å
445D83.4Confident84.7Confident96 Ų9635.5 Ų35.551%0.51318%0.179SC..  trans-66159.7167.7-64.4-30.4000112.2D447 V448 L449D445-D447 VanDerWaalsContact C-N 3.28Å; D445-D447 PolarHBondContact O-N 3.45Å; D445-V448 PolarHBondContact O-N 3Å; D445-L449 WeakPolarHBondContact O-CB 3.35Å; D445-L449 PolarHBondContact O-N 3Å
446S83.4Confident84.6Confident30 Ų3036 Ų3621%0.2118%0.182CC..Hα-helixtrans-55.2-41.5-179.5-640000113L449 N450 W478 E479S446-L449 PolarHBondContact O-N 3.32Å; S446-N450 VanDerWaalsContact O-CB 3.26Å; S446-N450 WeakPolarHBondContact O-CB 3.45Å; S446-N450 PolarHBondContact O-N 3.43Å; S446-N450 PolarHBondContact O-ND2 3.37Å; S446-W478 WeakPolarHBondContact OG-CA 3.18Å; S446-E479 PolarHBondContact OG-N 2.72Å
447D83.4Confident84.6Confident110 Ų11036.2 Ų36.259%0.58818%0.184SC*.Hα-helixtrans-67-44.4-177.4-62.9-28.9000111.6D445 L449 N450 Y451 L534D445-D447 VanDerWaalsContact C-N 3.28Å; D445-D447 PolarHBondContact O-N 3.45Å; D447-L449 VanDerWaalsContact C-N 3.35Å; D447-N450 PolarHBondContact O-N 2.87Å; D447-Y451 WeakPolarHBondContact O-CB 3.5Å; D447-Y451 PolarHBondContact O-N 2.85Å; D447-L534 HydrophobicContact CB-CD2 3.96Å
448V84.9Confident84.3Confident5 Ų533.4 Ų33.43%0.0317%0.169CC..Hα-helixtrans-63.6-43.7176.91780000110.5A418 L422 M440 T444 D445 Y451 L452 L534A418-V448 HydrophobicContact CB-CG1 3.6Å; L422-V448 HydrophobicContact CD2-CG1 3.71Å; M440-V448 HydrophobicContact CE-CG1 4.16Å; T444-V448 HydrophobicContact CG2-CB 4.38Å; T444-V448 HydrophobicContact CG2-CG1 3.74Å; D445-V448 PolarHBondContact O-N 3Å; V448-Y451 PolarHBondContact O-N 3.23Å; V448-L452 PolarHBondContact O-N 3Å; V448-L534 HydrophobicContact CG2-CD1 4.44Å; V448-L534 HydrophobicContact CG2-CD2 4.21Å
449L85.5Confident83.9Confident1 Ų134 Ų341%0.00518%0.175CC..Hα-helixtrans-64.4-45.5178.8-177.255000111.4L441 D445 S446 D447 Y451 L452 L453 L469 W478L441-L449 HydrophobicContact CD2-CD1 3.51Å; D445-L449 WeakPolarHBondContact O-CB 3.35Å; D445-L449 PolarHBondContact O-N 3Å; S446-L449 PolarHBondContact O-N 3.32Å; D447-L449 VanDerWaalsContact C-N 3.35Å; L449-Y451 PolarHBondContact O-N 2.98Å; L449-L452 PolarHBondContact O-N 3.28Å; L449-L453 HydrophobicContact CD1-CD1 4.25Å; L449-L453 HydrophobicContact CD1-CG 4.42Å; L449-L453 HydrophobicContact CG-CD1 4.23Å; L449-L453 VanDerWaalsContact O-CG 3.29Å; L449-L453 WeakPolarHBondContact O-CG 3.21Å; L449-L453 PolarHBondContact O-N 3.04Å; L449-L453 VanDerWaalsContact O-N 3.09Å; L449-L469 HydrophobicContact CD1-CD2 4.15Å; L449-L469 HydrophobicContact CD2-CD2 3.88Å; L449-L469 HydrophobicContact CG-CD2 4.43Å; L449-W478 HydrophobicContact CD2-CB 4.35Å; L449-W478 HydrophobicContact CD2-CD2 3.75Å; L449-W478 HydrophobicContact CD2-CE3 4.5Å; L449-W478 HydrophobicContact CD2-CG 3.66Å; L449-W478 HydrophobicContact CD2-CZ2 4.43Å; L449-W478 HydrophobicContact CG-CZ2 4.49Å
450N86.2Confident83.7Confident7 Ų736 Ų364%0.03719%0.191CC..Hα-helixtrans-61-44.8175.6-77.5-22.7000111.2S446 D447 L452 L453 E454 W478 E479 F484S446-N450 VanDerWaalsContact O-CB 3.26Å; S446-N450 WeakPolarHBondContact O-CB 3.45Å; S446-N450 PolarHBondContact O-N 3.43Å; S446-N450 PolarHBondContact O-ND2 3.37Å; D447-N450 PolarHBondContact O-N 2.87Å; N450-L452 PolarHBondContact O-N 3.38Å; N450-L453 PolarHBondContact O-N 2.92Å; N450-E454 PolarHBondContact O-N 3.4Å; N450-W478 PolarHBondContact OD1-NE1 2.7Å; N450-E479 PolarHBondContact ND2-O 3.3Å; N450-F484 HydrophobicContact CB-CE2 4.34Å
451Y85.6Confident83.6Confident13 Ų1336.7 Ų36.75%0.05120%0.195CC..Hα-helixtrans-61.8-43.6177.4-173.1-90.7000112.2L422 L426 D447 V448 L449 L453 E454 F455 I531 L534L422-Y451 HydrophobicContact CD2-CD1 3.76Å; L422-Y451 HydrophobicContact CG-CD1 4.01Å; L422-Y451 HydrophobicContact CG-CE1 4.3Å; L426-Y451 HydrophobicContact CD1-CD1 4.36Å; L426-Y451 HydrophobicContact CD1-CE1 3.99Å; D447-Y451 WeakPolarHBondContact O-CB 3.5Å; D447-Y451 PolarHBondContact O-N 2.85Å; V448-Y451 PolarHBondContact O-N 3.23Å; L449-Y451 PolarHBondContact O-N 2.98Å; Y451-L453 VanDerWaalsContact C-N 3.34Å; Y451-L453 PolarHBondContact O-N 3.47Å; Y451-E454 WeakPolarHBondContact O-CB 3.4Å; Y451-E454 PolarHBondContact O-N 3.22Å; Y451-F455 HydrophobicContact CD1-CE2 4.14Å; Y451-F455 HydrophobicContact CE1-CD2 4.46Å; Y451-F455 AromaticContact CE1-CE2 3.69Å; Y451-F455 HydrophobicContact CE1-CE2 3.69Å; Y451-F455 HydrophobicContact CE1-CZ 4.39Å; Y451-F455 HydrophobicContact CE2-CE2 4.27Å; Y451-F455 AromaticContact CZ-CE2 3.75Å; Y451-F455 VanDerWaalsContact O-CD2 3.26Å; Y451-F455 WeakPolarHBondContact O-CD2 3.19Å; Y451-I531 HydrophobicContact CD2-CG2 3.44Å; Y451-I531 VanDerWaalsContact CD2-CG2 3.44Å; Y451-I531 HydrophobicContact CE2-CB 4.4Å; Y451-I531 HydrophobicContact CE2-CG2 3.44Å; Y451-I531 VanDerWaalsContact CE2-CG2 3.44Å; Y451-L534 HydrophobicContact CD1-CD1 3.89Å; Y451-L534 HydrophobicContact CD2-CD1 4.46Å; Y451-L534 HydrophobicContact CD2-CG 4.22Å; Y451-L534 HydrophobicContact CE1-CD1 4.45Å; Y451-L534 HydrophobicContact CG-CD1 3.9Å; Y451-L534 HydrophobicContact CG-CD2 4.42Å; Y451-L534 HydrophobicContact CG-CG 4.07Å
452L84.9Confident83.6Confident1 Ų139 Ų391%0.00521%0.211CC..Hα-helixtrans-60.7-43.3176.9177.461.8000111.8L422 P432 L435 L436 M440 V448 L449 N450 E454 F455L422-L452 HydrophobicContact CD1-CD1 4.16Å; L422-L452 HydrophobicContact CD2-CB 4.07Å; P432-L452 HydrophobicContact CB-CD1 4.37Å; L435-L452 HydrophobicContact CB-CD1 4.28Å; L435-L452 HydrophobicContact CD1-CD1 4.38Å; L436-L452 HydrophobicContact CD2-CD2 4.24Å; M440-L452 HydrophobicContact CE-CD2 4.5Å; M440-L452 HydrophobicContact CG-CD2 4.17Å; V448-L452 PolarHBondContact O-N 3Å; L449-L452 PolarHBondContact O-N 3.28Å; N450-L452 PolarHBondContact O-N 3.38Å; L452-E454 PolarHBondContact O-N 3.08Å; L452-F455 PolarHBondContact O-N 3.4Å; L452-F455 VanDerWaalsContact O-N 3.11Å
453L84.7Confident83.6Confident4 Ų438.7 Ų38.72%0.02122%0.218CC..Hα-helixtrans-67-23.7-177.1-70.5172.1000113.1L449 N450 Y451 F455 V456 L461 W478 F484L449-L453 HydrophobicContact CD1-CD1 4.25Å; L449-L453 HydrophobicContact CD1-CG 4.42Å; L449-L453 HydrophobicContact CG-CD1 4.23Å; L449-L453 VanDerWaalsContact O-CG 3.29Å; L449-L453 WeakPolarHBondContact O-CG 3.21Å; L449-L453 PolarHBondContact O-N 3.04Å; L449-L453 VanDerWaalsContact O-N 3.09Å; N450-L453 PolarHBondContact O-N 2.92Å; Y451-L453 VanDerWaalsContact C-N 3.34Å; Y451-L453 PolarHBondContact O-N 3.47Å; L453-F455 PolarHBondContact O-N 3.3Å; L453-V456 PolarHBondContact O-N 2.95Å; L453-V456 VanDerWaalsContact O-N 3.11Å; L453-V456 VanDerWaalsContact O-O 3.12Å; L453-L461 HydrophobicContact CD2-CD1 4.36Å; L453-W478 HydrophobicContact CD1-CH2 3.99Å; L453-W478 HydrophobicContact CD1-CZ2 3.54Å; L453-F484 HydrophobicContact CB-CE1 4.01Å; L453-F484 HydrophobicContact CB-CE2 4.38Å; L453-F484 HydrophobicContact CB-CZ 3.79Å
454E84.9Confident83.7Confident13 Ų1337.3 Ų37.36%0.06122%0.223CC..THydrogen-bonded Turntrans-62.3-19.6171.7-73.2-59.114300114.3N450 Y451 L452 Y483 F484 H492 I531N450-E454 PolarHBondContact O-N 3.4Å; Y451-E454 WeakPolarHBondContact O-CB 3.4Å; Y451-E454 PolarHBondContact O-N 3.22Å; L452-E454 PolarHBondContact O-N 3.08Å; E454-Y483 WeakPolarHBondContact OE1-CE2 3.48Å; E454-Y483 PolarHBondContact OE1-OH 3.36Å; E454-F484 WeakPolarHBondContact OE1-CZ 3.34Å; E454-H492 PolarHBondContact O-CE1 3.44Å; E454-H492 IonicContact OE2-CE1 2.75Å; E454-I531 HydrophobicContact CB-CD1 3.57Å; E454-I531 HydrophobicContact CG-CD1 3.81Å
455F83.6Confident83.8Confident9 Ų937.9 Ų37.94%0.03923%0.225CC..THydrogen-bonded Turntrans-104.66.6178.7-61.9-93.3000112.4L426 P432 Y451 L452 L453 L496 F528 I531L426-F455 HydrophobicContact CD1-CB 4.32Å; L426-F455 HydrophobicContact CD1-CD2 3.54Å; L426-F455 HydrophobicContact CD1-CE2 3.91Å; L426-F455 HydrophobicContact CD1-CG 3.9Å; P432-F455 HydrophobicContact CB-CB 4.08Å; P432-F455 HydrophobicContact CG-CB 3.54Å; P432-F455 WeakPolarHBondContact CG-O 3.46Å; Y451-F455 HydrophobicContact CD1-CE2 4.14Å; Y451-F455 HydrophobicContact CE1-CD2 4.46Å; Y451-F455 AromaticContact CE1-CE2 3.69Å; Y451-F455 HydrophobicContact CE1-CE2 3.69Å; Y451-F455 HydrophobicContact CE1-CZ 4.39Å; Y451-F455 HydrophobicContact CE2-CE2 4.27Å; Y451-F455 AromaticContact CZ-CE2 3.75Å; Y451-F455 VanDerWaalsContact O-CD2 3.26Å; Y451-F455 WeakPolarHBondContact O-CD2 3.19Å; L452-F455 PolarHBondContact O-N 3.4Å; L452-F455 VanDerWaalsContact O-N 3.11Å; L453-F455 PolarHBondContact O-N 3.3Å; F455-L496 WeakPolarHBondContact O-CD2 3.38Å; F455-F528 AromaticContact CD1-CD1 3.79Å; F455-F528 HydrophobicContact CD1-CD1 3.79Å; F455-F528 AromaticContact CD1-CE1 3.59Å; F455-F528 HydrophobicContact CD1-CE1 3.59Å; F455-F528 HydrophobicContact CD1-CG 4.46Å; F455-F528 HydrophobicContact CD1-CZ 4.09Å; F455-F528 HydrophobicContact CE1-CB 4.1Å; F455-F528 AromaticContact CE1-CD1 3.22Å; F455-F528 HydrophobicContact CE1-CD1 3.22Å; F455-F528 HydrophobicContact CE1-CD2 4.19Å; F455-F528 AromaticContact CE1-CE1 3.54Å; F455-F528 HydrophobicContact CE1-CE1 3.54Å; F455-F528 HydrophobicContact CE1-CE2 4.45Å; F455-F528 AromaticContact CE1-CG 3.6Å; F455-F528 HydrophobicContact CE1-CG 3.6Å; F455-F528 HydrophobicContact CE1-CZ 4.15Å; F455-F528 HydrophobicContact CE2-CD1 4.42Å; F455-F528 HydrophobicContact CG-CE1 4.35Å; F455-F528 HydrophobicContact CZ-CB 4.11Å; F455-F528 AromaticContact CZ-CD1 3.6Å; F455-F528 HydrophobicContact CZ-CD1 3.6Å; F455-F528 HydrophobicContact CZ-CE1 4.24Å; F455-F528 HydrophobicContact CZ-CG 4.03Å; F455-I531 HydrophobicContact CE2-CD1 4.14Å; F455-I531 HydrophobicContact CZ-CD1 4.16Å
456V83.9Confident83.9Confident9 Ų937.3 Ų37.36%0.05522%0.218CC..SBendtrans-124136.6-173174.80000110.4P432 L436 L453 W458 L461P432-V456 HydrophobicContact CB-CG2 3.63Å; L436-V456 HydrophobicContact CD1-CB 4.46Å; L436-V456 HydrophobicContact CD1-CG1 3.59Å; L436-V456 HydrophobicContact CD1-CG2 3.95Å; L436-V456 HydrophobicContact CD2-CG1 4.37Å; L436-V456 HydrophobicContact CD2-CG2 4.13Å; L436-V456 HydrophobicContact CG-CG2 4.25Å; L453-V456 PolarHBondContact O-N 2.95Å; L453-V456 VanDerWaalsContact O-N 3.11Å; L453-V456 VanDerWaalsContact O-O 3.12Å; V456-W458 PolarHBondContact O-N 3.38Å; V456-L461 HydrophobicContact CG1-CD2 4.15Å
457N84.9Confident84.1Confident40 Ų4041 Ų4121%0.21424%0.235CC..  trans-74.194.2167.4-178.10.1000110.2S459 T460 L493 L496N457-S459 VanDerWaalsContact CG-OG 3.31Å; N457-S459 PolarHBondContact ND2-OG 3.26Å; N457-S459 PolarHBondContact O-N 3.47Å; N457-S459 VanDerWaalsContact O-N 3.1Å; N457-S459 WeakPolarHBondContact OD1-CB 3.38Å; N457-S459 PolarHBondContact OD1-N 3.45Å; N457-S459 PolarHBondContact OD1-OG 2.74Å; N457-T460 WeakPolarHBondContact ND2-CG2 3.38Å; N457-T460 PolarHBondContact O-N 3.04Å; N457-T460 PolarHBondContact O-OG1 3.42Å; N457-L493 HydrophobicContact CB-CD2 4.39Å; N457-L496 HydrophobicContact CB-CD1 3.96Å
458W79.9Confident84.2Confident34 Ų3436.7 Ų36.713%0.12921%0.211CC..G310 helixtrans-63-18.5-176.757.783.8000114.4V456 T460 L461 Y483 F484 S486 P488 H492V456-W458 PolarHBondContact O-N 3.38Å; W458-T460 PolarHBondContact O-N 3.08Å; W458-L461 HydrophobicContact CB-CD1 3.9Å; W458-L461 PolarHBondContact O-N 3.22Å; W458-Y483 HydrophobicContact CH2-CD2 4.39Å; W458-F484 AromaticContact CD2-CD1 3.99Å; W458-F484 HydrophobicContact CD2-CD1 3.99Å; W458-F484 HydrophobicContact CD2-CE1 4.49Å; W458-F484 AromaticContact CE3-CD1 3.64Å; W458-F484 HydrophobicContact CE3-CD1 3.64Å; W458-F484 AromaticContact CE3-CE1 3.69Å; W458-F484 HydrophobicContact CE3-CE1 3.69Å; W458-F484 AromaticContact CH2-CD1 3.58Å; W458-F484 HydrophobicContact CH2-CD1 3.58Å; W458-F484 AromaticContact CH2-CE1 3.81Å; W458-F484 HydrophobicContact CH2-CE1 3.81Å; W458-F484 AromaticContact CZ2-CD1 3.92Å; W458-F484 HydrophobicContact CZ2-CD1 3.92Å; W458-F484 AromaticContact CZ3-CD1 3.45Å; W458-F484 HydrophobicContact CZ3-CD1 3.45Å; W458-F484 VanDerWaalsContact CZ3-CD1 3.45Å; W458-F484 AromaticContact CZ3-CE1 3.32Å; W458-F484 HydrophobicContact CZ3-CE1 3.32Å; W458-S486 PolarHBondContact NE1-O 3.09Å; W458-S486 VanDerWaalsContact NE1-O 3.08Å; W458-P488 HydrophobicContact CD2-CB 4.34Å; W458-P488 HydrophobicContact CD2-CG 4.02Å; W458-P488 HydrophobicContact CG-CG 4.11Å; W458-P488 HydrophobicContact CH2-CB 4.35Å; W458-P488 HydrophobicContact CZ2-CB 3.8Å; W458-P488 HydrophobicContact CZ2-CG 4.18Å; W458-P488 VanDerWaalsContact NE1-CD 3.33Å; W458-H492 AromaticContact CZ3-CD2 3.92Å; W458-H492 AromaticContact CZ3-CE1 3.78Å; W458-H492 AromaticContact CZ3-NE2 3.49Å; W458-H492 WeakPolarHBondContact CZ3-NE2 3.37Å
459S76.6Confident84.2Confident60 Ų6037 Ų3742%0.4221%0.213SC..G310 helixtrans-65-31.3172.970.60000112.5N457 K466N457-S459 VanDerWaalsContact CG-OG 3.31Å; N457-S459 PolarHBondContact ND2-OG 3.26Å; N457-S459 PolarHBondContact O-N 3.47Å; N457-S459 VanDerWaalsContact O-N 3.1Å; N457-S459 WeakPolarHBondContact OD1-CB 3.38Å; N457-S459 PolarHBondContact OD1-N 3.45Å; N457-S459 PolarHBondContact OD1-OG 2.74Å; S459-K466 PolarHBondContact O-NZ 3.35Å
460T80.7Confident84.2Confident102 Ų10241.7 Ų41.763%0.62624%0.238SC*.G310 helixtrans-89.72.7-176.558.30000114.3N457 W458N457-T460 WeakPolarHBondContact ND2-CG2 3.38Å; N457-T460 PolarHBondContact O-N 3.04Å; N457-T460 PolarHBondContact O-OG1 3.42Å; W458-T460 PolarHBondContact O-N 3.08Å
461L82.5Confident84.3Confident14 Ų1446.3 Ų46.37%0.07326%0.259CS..  trans-61.5140.3175.8-71.2168.9000111.3L436 L453 V456 W458 L465 K466 L469L436-L461 HydrophobicContact CD1-CD2 3.86Å; L436-L461 HydrophobicContact CD2-CD2 4.1Å; L453-L461 HydrophobicContact CD2-CD1 4.36Å; V456-L461 HydrophobicContact CG1-CD2 4.15Å; W458-L461 HydrophobicContact CB-CD1 3.9Å; W458-L461 PolarHBondContact O-N 3.22Å; L461-L465 HydrophobicContact CD2-CD1 4.18Å; L461-K466 HydrophobicContact CB-CG 4.05Å; L461-K466 VanDerWaalsContact O-CE 3.23Å; L461-K466 WeakPolarHBondContact O-CE 3.49Å; L461-K466 PolarHBondContact O-NZ 3.33Å; L461-L469 HydrophobicContact CD1-CD1 3.99Å
462S85.6Confident84.3Confident51 Ų5146.8 Ų46.836%0.35726%0.261SS..  trans-64.4152.2176.773.40000110.9S464 L465 K466S462-S464 PolarHBondContact O-N 2.94Å; S462-L465 PolarHBondContact O-N 3.39Å; S462-L465 VanDerWaalsContact O-N 3.14Å; S462-L465 WeakPolarHBondContact OG-CG 3.35Å; S462-L465 PolarHBondContact OG-N 2.95Å; S462-K466 PolarHBondContact O-N 3.47Å; S462-K466 VanDerWaalsContact O-N 3.13Å
463P84.3Confident84.3Confident100 Ų10051.2 Ų51.265%0.64928%0.278SS*.Hα-helixtrans-55.1-37.8178.2-2634.7000112.8L465 K466 I467P463-L465 PolarHBondContact O-N 2.92Å; P463-K466 PolarHBondContact O-N 2.99Å; P463-I467 WeakPolarHBondContact O-CG1 3.5Å; P463-I467 PolarHBondContact O-N 3.49Å; P463-I467 VanDerWaalsContact O-N 3.08Å
464S85.5Confident84.4Confident81 Ų8155 Ų5557%0.56631%0.31SS*.Hα-helixtrans-61.7-40.9178.9-500000112.9S462S462-S464 PolarHBondContact O-N 2.94Å
465L86.1Confident84.5Confident16 Ų1659.6 Ų59.68%0.08433%0.331CS..Hα-helixtrans-74-34.3178.1-62.6175.6000111.7L436 P438 L441 L461 S462 P463 I467 I468 L469L436-L465 HydrophobicContact CB-CD1 4.18Å; P438-L465 HydrophobicContact CG-CD2 4.02Å; L441-L465 HydrophobicContact CD1-CB 3.75Å; L441-L465 HydrophobicContact CD1-CD1 4.49Å; L441-L465 HydrophobicContact CD1-CD2 3.59Å; L441-L465 HydrophobicContact CD1-CG 4.1Å; L461-L465 HydrophobicContact CD2-CD1 4.18Å; S462-L465 PolarHBondContact O-N 3.39Å; S462-L465 VanDerWaalsContact O-N 3.14Å; S462-L465 WeakPolarHBondContact OG-CG 3.35Å; S462-L465 PolarHBondContact OG-N 2.95Å; P463-L465 PolarHBondContact O-N 2.92Å; L465-I467 VanDerWaalsContact C-N 3.35Å; L465-I468 HydrophobicContact CD2-CD1 4.45Å; L465-I468 PolarHBondContact O-N 3.36Å; L465-L469 PolarHBondContact O-N 3.46Å
466K84.3Confident84.5Confident83 Ų8368 Ų6836%0.36137%0.367SS..Hα-helixtrans-62-42.1175-71.7178.4179.8170.40111.8S459 L461 S462 P463 I468 L469 D470S459-K466 PolarHBondContact O-NZ 3.35Å; L461-K466 HydrophobicContact CB-CG 4.05Å; L461-K466 VanDerWaalsContact O-CE 3.23Å; L461-K466 WeakPolarHBondContact O-CE 3.49Å; L461-K466 PolarHBondContact O-NZ 3.33Å; S462-K466 PolarHBondContact O-N 3.47Å; S462-K466 VanDerWaalsContact O-N 3.13Å; P463-K466 PolarHBondContact O-N 2.99Å; K466-I468 VanDerWaalsContact C-N 3.28Å; K466-I468 PolarHBondContact O-N 3.31Å; K466-L469 PolarHBondContact O-N 3.14Å; K466-L469 VanDerWaalsContact O-N 3.16Å; K466-D470 PolarHBondContact O-N 3.41Å
467I87.1Confident84.4Confident109 Ų10970.5 Ų70.556%0.55938%0.383SS*.Hα-helixtrans-56.8-42.9176.3-69.2165.7000111.3P463 L465 D470 Q471P463-I467 WeakPolarHBondContact O-CG1 3.5Å; P463-I467 PolarHBondContact O-N 3.49Å; P463-I467 VanDerWaalsContact O-N 3.08Å; L465-I467 VanDerWaalsContact C-N 3.35Å; I467-D470 PolarHBondContact O-N 2.99Å; I467-Q471 VanDerWaalsContact O-CB 3.31Å; I467-Q471 WeakPolarHBondContact O-CB 3.41Å; I467-Q471 PolarHBondContact O-N 2.8Å
468I86.3Confident84.4Confident18 Ų1869.2 Ų69.29%0.09238%0.375CS..Hα-helixtrans-63.1-45.2178.6-63.6168.9000110.8P438 L441 E442 L465 K466 Q471 R472P438-I468 HydrophobicContact CB-CD1 3.64Å; P438-I468 HydrophobicContact CG-CD1 4.18Å; L441-I468 HydrophobicContact CB-CG2 3.9Å; E442-I468 HydrophobicContact CG-CG2 3.7Å; L465-I468 HydrophobicContact CD2-CD1 4.45Å; L465-I468 PolarHBondContact O-N 3.36Å; K466-I468 VanDerWaalsContact C-N 3.28Å; K466-I468 PolarHBondContact O-N 3.31Å; I468-Q471 PolarHBondContact O-N 2.65Å; I468-R472 WeakPolarHBondContact O-CG 3.24Å; I468-R472 PolarHBondContact O-N 3.01Å
469L84.9Confident84.6Confident13 Ų1374.9 Ų74.97%0.06840%0.403CS..Hα-helixtrans-64.9-42.4178.8-67.8176.8000112.2L441 L449 L461 L465 K466 Q471 R472 R473 W478L441-L469 HydrophobicContact CD1-CD2 4.46Å; L441-L469 HydrophobicContact CD1-CG 4.38Å; L441-L469 HydrophobicContact CD2-CD2 4.41Å; L449-L469 HydrophobicContact CD1-CD2 4.15Å; L449-L469 HydrophobicContact CD2-CD2 3.88Å; L449-L469 HydrophobicContact CG-CD2 4.43Å; L461-L469 HydrophobicContact CD1-CD1 3.99Å; L465-L469 PolarHBondContact O-N 3.46Å; K466-L469 PolarHBondContact O-N 3.14Å; K466-L469 VanDerWaalsContact O-N 3.16Å; L469-Q471 VanDerWaalsContact C-N 3.32Å; L469-R472 PolarHBondContact O-N 3.41Å; L469-R473 WeakPolarHBondContact O-CB 3.34Å; L469-R473 PolarHBondContact O-N 3.34Å; L469-W478 HydrophobicContact CB-CE3 4.41Å; L469-W478 HydrophobicContact CB-CH2 4.45Å; L469-W478 HydrophobicContact CB-CZ3 3.8Å; L469-W478 HydrophobicContact CD2-CE3 4.21Å; L469-W478 HydrophobicContact CD2-CH2 4.11Å; L469-W478 HydrophobicContact CD2-CZ3 3.93Å; L469-W478 HydrophobicContact CG-CZ3 4.33Å
470D85.8Confident84.8Confident98 Ų9873.5 Ų73.552%0.52439%0.392SS..Hα-helixtrans-63.8-39.2176-70.3-27.9000111.2K466 I467 R473 A474K466-D470 PolarHBondContact O-N 3.41Å; I467-D470 PolarHBondContact O-N 2.99Å; D470-R473 PolarHBondContact O-N 3.29Å; D470-A474 WeakPolarHBondContact O-CB 3.47Å; D470-A474 PolarHBondContact O-N 3.39Å
471Q87.4Confident84.8Confident104 Ų10472.4 Ų72.449%0.48638%0.38SS..Hα-helixtrans-64.2-48.5175.2-177.5174.1-4.400111.5I467 I468 L469 R473 A474 E475I467-Q471 VanDerWaalsContact O-CB 3.31Å; I467-Q471 WeakPolarHBondContact O-CB 3.41Å; I467-Q471 PolarHBondContact O-N 2.8Å; I468-Q471 PolarHBondContact O-N 2.65Å; L469-Q471 VanDerWaalsContact C-N 3.32Å; Q471-R473 VanDerWaalsContact C-N 3.27Å; Q471-R473 PolarHBondContact O-N 3.14Å; Q471-A474 PolarHBondContact O-N 2.9Å; Q471-A474 VanDerWaalsContact O-N 3.11Å; Q471-E475 HydrophobicContact CG-CG 4.41Å; Q471-E475 VanDerWaalsContact CG-OE1 3.25Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.45Å; Q471-E475 PolarHBondContact NE2-OE1 2.94Å; Q471-E475 WeakPolarHBondContact O-CB 3.37Å; Q471-E475 WeakPolarHBondContact O-CG 3.29Å; Q471-E475 PolarHBondContact O-N 3.15Å
472R86Confident84.3Confident23 Ų2377.5 Ų77.59%0.08741%0.412CS..Hα-helixtrans-61.4-35.9177.2-73.2-163.367.2161.2-0.3113L441 E442 T444 I468 L469 K476 T477 W478L441-R472 WeakPolarHBondContact O-CD 3.31Å; L441-R472 PolarHBondContact O-NH1 3.19Å; E442-R472 VanDerWaalsContact C-NH1 3.25Å; E442-R472 PolarHBondContact O-NH1 2.72Å; T444-R472 VanDerWaalsContact O-CZ 3.3Å; T444-R472 PolarHBondContact O-NH1 3.05Å; T444-R472 PolarHBondContact O-NH2 3.5Å; I468-R472 WeakPolarHBondContact O-CG 3.24Å; I468-R472 PolarHBondContact O-N 3.01Å; L469-R472 PolarHBondContact O-N 3.41Å; R472-K476 PolarHBondContact O-N 3.4Å; R472-K476 VanDerWaalsContact O-N 3.08Å; R472-T477 WeakPolarHBondContact CA-OG1 3.46Å; R472-T477 WeakPolarHBondContact CB-OG1 3.35Å; R472-T477 PolarHBondContact NE-OG1 2.84Å; R472-T477 PolarHBondContact NH2-O 3.24Å; R472-T477 PolarHBondContact O-N 2.95Å; R472-T477 PolarHBondContact O-OG1 3.47Å; R472-W478 HydrophobicContact CB-CB 3.93Å; R472-W478 PolarHBondContact O-N 3.01Å
473R85.8Confident83.8Confident95 Ų9580 Ų8036%0.35841%0.414SS..Hα-helixtrans-64.3-45.5173.1-175.8-172.7-70.1-146.6-7.8111.3L469 D470 Q471 E475 K476 W478 D485L469-R473 WeakPolarHBondContact O-CB 3.34Å; L469-R473 PolarHBondContact O-N 3.34Å; D470-R473 PolarHBondContact O-N 3.29Å; Q471-R473 VanDerWaalsContact C-N 3.27Å; Q471-R473 PolarHBondContact O-N 3.14Å; R473-E475 VanDerWaalsContact C-N 3.33Å; R473-E475 PolarHBondContact O-N 3.05Å; R473-K476 PolarHBondContact O-N 2.85Å; R473-W478 HydrophobicContact CB-CE3 4.46Å; R473-D485 IonicContact CZ-OD1 3.86Å; R473-D485 IonicContact NH1-OD1 3.15Å; R473-D485 PolarHBondContact NH1-OD1 3.37Å; R473-D485 IonicContact NH2-OD1 2.64Å; R473-D485 PolarHBondContact NH2-OD1 3.45Å
474A86.5Confident83.2Confident84 Ų8476.1 Ų76.169%0.69439%0.387SS*.Hα-helixtrans-64.1-38.2177.800000112.4D470 Q471 K476D470-A474 WeakPolarHBondContact O-CB 3.47Å; D470-A474 PolarHBondContact O-N 3.39Å; Q471-A474 PolarHBondContact O-N 2.9Å; Q471-A474 VanDerWaalsContact O-N 3.11Å; A474-K476 PolarHBondContact O-N 3.22Å
475E86.9Confident82Confident109 Ų10977 Ų7751%0.50939%0.385SS..THydrogen-bonded Turntrans-78.7-4.7177.3-67.5173.6-174.900113.4Q471 R473 T477Q471-E475 HydrophobicContact CG-CG 4.41Å; Q471-E475 VanDerWaalsContact CG-OE1 3.25Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.45Å; Q471-E475 PolarHBondContact NE2-OE1 2.94Å; Q471-E475 WeakPolarHBondContact O-CB 3.37Å; Q471-E475 WeakPolarHBondContact O-CG 3.29Å; Q471-E475 PolarHBondContact O-N 3.15Å; R473-E475 VanDerWaalsContact C-N 3.33Å; R473-E475 PolarHBondContact O-N 3.05Å; E475-T477 HydrophobicContact CB-CG2 4.01Å; E475-T477 PolarHBondContact O-N 2.83Å
476K83.5Confident81Confident185 Ų18579.4 Ų79.480%0.80440%0.404SS*.THydrogen-bonded Turntrans57.327.7-175.5-53.9-178.9179.9-179.10113.8R472 R473 A474 W478R472-K476 PolarHBondContact O-N 3.4Å; R472-K476 VanDerWaalsContact O-N 3.08Å; R473-K476 PolarHBondContact O-N 2.85Å; A474-K476 PolarHBondContact O-N 3.22Å; K476-W478 VanDerWaalsContact C-N 3.33Å
477T81.8Confident80.1Confident62 Ų6281.5 Ų81.538%0.3842%0.423SS..SBendtrans-90.6-1.7175.3610000112.3R472 E475R472-T477 WeakPolarHBondContact CA-OG1 3.46Å; R472-T477 WeakPolarHBondContact CB-OG1 3.35Å; R472-T477 PolarHBondContact NE-OG1 2.84Å; R472-T477 PolarHBondContact NH2-O 3.24Å; R472-T477 PolarHBondContact O-N 2.95Å; R472-T477 PolarHBondContact O-OG1 3.47Å; E475-T477 HydrophobicContact CB-CG2 4.01Å; E475-T477 PolarHBondContact O-N 2.83Å
478W85.6Confident79.6Confident13 Ų1376.7 Ų76.75%0.04940%0.399CS..  trans-144130.9174.5173.445.7000111.4S446 L449 N450 L453 L469 R472 R473 K476 P480S446-W478 WeakPolarHBondContact OG-CA 3.18Å; L449-W478 HydrophobicContact CD2-CB 4.35Å; L449-W478 HydrophobicContact CD2-CD2 3.75Å; L449-W478 HydrophobicContact CD2-CE3 4.5Å; L449-W478 HydrophobicContact CD2-CG 3.66Å; L449-W478 HydrophobicContact CD2-CZ2 4.43Å; L449-W478 HydrophobicContact CG-CZ2 4.49Å; N450-W478 PolarHBondContact OD1-NE1 2.7Å; L453-W478 HydrophobicContact CD1-CH2 3.99Å; L453-W478 HydrophobicContact CD1-CZ2 3.54Å; L469-W478 HydrophobicContact CB-CE3 4.41Å; L469-W478 HydrophobicContact CB-CH2 4.45Å; L469-W478 HydrophobicContact CB-CZ3 3.8Å; L469-W478 HydrophobicContact CD2-CE3 4.21Å; L469-W478 HydrophobicContact CD2-CH2 4.11Å; L469-W478 HydrophobicContact CD2-CZ3 3.93Å; L469-W478 HydrophobicContact CG-CZ3 4.33Å; R472-W478 HydrophobicContact CB-CB 3.93Å; R472-W478 PolarHBondContact O-N 3.01Å; R473-W478 HydrophobicContact CB-CE3 4.46Å; K476-W478 VanDerWaalsContact C-N 3.33Å; W478-P480 HydrophobicContact CD2-CB 4.41Å; W478-P480 HydrophobicContact CH2-CB 3.77Å; W478-P480 HydrophobicContact CH2-CG 4.38Å; W478-P480 HydrophobicContact CZ2-CB 3.54Å; W478-P480 HydrophobicContact CZ2-CG 4.43Å; W478-P480 HydrophobicContact CZ3-CB 4.28Å; W478-P480 HydrophobicContact CZ3-CG 4.41Å; W478-P480 WeakPolarHBondContact O-CD 3.39Å
479E83.1Confident79.2Confident153 Ų15379.4 Ų79.472%0.71542%0.419SS*.  trans-108.997.8172.7-67.2-172.1170.800110S446 N450S446-E479 PolarHBondContact OG-N 2.72Å; N450-E479 PolarHBondContact ND2-O 3.3Å
480P81.6Confident78.9Confident30 Ų3085.2 Ų85.220%0.19545%0.449CS..  trans-67.9147.6177.423.7-30.3000111.6W478 F484W478-P480 HydrophobicContact CD2-CB 4.41Å; W478-P480 HydrophobicContact CH2-CB 3.77Å; W478-P480 HydrophobicContact CH2-CG 4.38Å; W478-P480 HydrophobicContact CZ2-CB 3.54Å; W478-P480 HydrophobicContact CZ2-CG 4.43Å; W478-P480 HydrophobicContact CZ3-CB 4.28Å; W478-P480 HydrophobicContact CZ3-CG 4.41Å; W478-P480 WeakPolarHBondContact O-CD 3.39Å; P480-F484 HydrophobicContact CB-CB 4.34Å; P480-F484 HydrophobicContact CB-CD2 4.05Å
481H80.1Confident78.5Confident80 Ų8085.2 Ų85.237%0.3745%0.445SS..  trans-58.2141.8163.1-65117.2000111Y483 F484H481-Y483 HydrophobicContact CB-CD1 4.06Å; H481-Y483 HydrophobicContact CB-CD2 4.28Å; H481-Y483 HydrophobicContact CB-CE1 3.52Å; H481-Y483 HydrophobicContact CB-CE2 3.74Å; H481-Y483 HydrophobicContact CB-CG 4.42Å; H481-Y483 WeakPolarHBondContact CB-OH 3.42Å; H481-Y483 AromaticContact CG-CZ 3.64Å; H481-Y483 VanDerWaalsContact CG-OH 3.23Å; H481-Y483 AromaticContact ND1-CZ 3.91Å; H481-Y483 PolarHBondContact ND1-OH 2.94Å; H481-Y483 VanDerWaalsContact ND1-OH 3.15Å; H481-Y483 PolarHBondContact O-N 3.32Å; H481-F484 HydrophobicContact CB-CD2 3.8Å; H481-F484 HydrophobicContact CB-CE2 3.81Å; H481-F484 AromaticContact ND1-CE2 3.53Å; H481-F484 WeakPolarHBondContact O-CB 3.4Å; H481-F484 PolarHBondContact O-N 2.98Å
482T72.9Confident78.3Confident121 Ų12180.7 Ų80.774%0.74242%0.424SS*.G310 helixtrans-58.1-23-172.253.20000114.4
483Y73.7Confident78.1Confident103 Ų10382.3 Ų82.340%0.40443%0.434SS..G310 helixtrans-83.1-14.7178.249.4-100.6000114.1E454 W458 H481 D485 S486E454-Y483 WeakPolarHBondContact OE1-CE2 3.48Å; E454-Y483 PolarHBondContact OE1-OH 3.36Å; W458-Y483 HydrophobicContact CH2-CD2 4.39Å; H481-Y483 HydrophobicContact CB-CD1 4.06Å; H481-Y483 HydrophobicContact CB-CD2 4.28Å; H481-Y483 HydrophobicContact CB-CE1 3.52Å; H481-Y483 HydrophobicContact CB-CE2 3.74Å; H481-Y483 HydrophobicContact CB-CG 4.42Å; H481-Y483 WeakPolarHBondContact CB-OH 3.42Å; H481-Y483 AromaticContact CG-CZ 3.64Å; H481-Y483 VanDerWaalsContact CG-OH 3.23Å; H481-Y483 AromaticContact ND1-CZ 3.91Å; H481-Y483 PolarHBondContact ND1-OH 2.94Å; H481-Y483 VanDerWaalsContact ND1-OH 3.15Å; H481-Y483 PolarHBondContact O-N 3.32Å; Y483-D485 PolarHBondContact O-N 2.65Å; Y483-S486 PolarHBondContact O-N 3.24Å; Y483-S486 PolarHBondContact O-OG 2.68Å
484F72.9Confident77.9Confident19 Ų1981 Ų818%0.08344%0.438CS..G310 helixtrans-68.8-16.7173.1-66.8-45.4000112.9N450 L453 E454 W458 P480 H481 S486N450-F484 HydrophobicContact CB-CE2 4.34Å; L453-F484 HydrophobicContact CB-CE1 4.01Å; L453-F484 HydrophobicContact CB-CE2 4.38Å; L453-F484 HydrophobicContact CB-CZ 3.79Å; E454-F484 WeakPolarHBondContact OE1-CZ 3.34Å; W458-F484 AromaticContact CD2-CD1 3.99Å; W458-F484 HydrophobicContact CD2-CD1 3.99Å; W458-F484 HydrophobicContact CD2-CE1 4.49Å; W458-F484 AromaticContact CE3-CD1 3.64Å; W458-F484 HydrophobicContact CE3-CD1 3.64Å; W458-F484 AromaticContact CE3-CE1 3.69Å; W458-F484 HydrophobicContact CE3-CE1 3.69Å; W458-F484 AromaticContact CH2-CD1 3.58Å; W458-F484 HydrophobicContact CH2-CD1 3.58Å; W458-F484 AromaticContact CH2-CE1 3.81Å; W458-F484 HydrophobicContact CH2-CE1 3.81Å; W458-F484 AromaticContact CZ2-CD1 3.92Å; W458-F484 HydrophobicContact CZ2-CD1 3.92Å; W458-F484 AromaticContact CZ3-CD1 3.45Å; W458-F484 HydrophobicContact CZ3-CD1 3.45Å; W458-F484 VanDerWaalsContact CZ3-CD1 3.45Å; W458-F484 AromaticContact CZ3-CE1 3.32Å; W458-F484 HydrophobicContact CZ3-CE1 3.32Å; P480-F484 HydrophobicContact CB-CB 4.34Å; P480-F484 HydrophobicContact CB-CD2 4.05Å; H481-F484 HydrophobicContact CB-CD2 3.8Å; H481-F484 HydrophobicContact CB-CE2 3.81Å; H481-F484 AromaticContact ND1-CE2 3.53Å; H481-F484 WeakPolarHBondContact O-CB 3.4Å; H481-F484 PolarHBondContact O-N 2.98Å; F484-S486 PolarHBondContact O-N 2.82Å
485D60Low77.8Confident98 Ų9877.2 Ų77.252%0.52441%0.406SS..G310 helixtrans-72.8-6.6176.4-69.2-29.2000113.7R473 Y483R473-D485 IonicContact CZ-OD1 3.86Å; R473-D485 IonicContact NH1-OD1 3.15Å; R473-D485 PolarHBondContact NH1-OD1 3.37Å; R473-D485 IonicContact NH2-OD1 2.64Å; R473-D485 PolarHBondContact NH2-OD1 3.45Å; Y483-D485 PolarHBondContact O-N 2.65Å
486S63.9Low77.6Confident68 Ų6873.2 Ų73.248%0.47639%0.388SS..SBendtrans-117.2160.2-177.867.80000112.2W458 Y483 F484W458-S486 PolarHBondContact NE1-O 3.09Å; W458-S486 VanDerWaalsContact NE1-O 3.08Å; Y483-S486 PolarHBondContact O-N 3.24Å; Y483-S486 PolarHBondContact O-OG 2.68Å; F484-S486 PolarHBondContact O-N 2.82Å
487V67Low77.5Confident127 Ų12769.7 Ų69.777%0.7737%0.372SS*.PPolyproline II helixtrans-53.1132.8170.5178.20000108.2C489V487-C489 PolarHBondContact O-N 2.75Å; V487-C489 VanDerWaalsContact O-N 3.16Å
488P75.2Confident77.5Confident8 Ų869 Ų695%0.05237%0.368CS..PPolyproline II helixtrans-51.5127.6-177.8-11.714.5000110W458 L493W458-P488 HydrophobicContact CD2-CB 4.34Å; W458-P488 HydrophobicContact CD2-CG 4.02Å; W458-P488 HydrophobicContact CG-CG 4.11Å; W458-P488 HydrophobicContact CH2-CB 4.35Å; W458-P488 HydrophobicContact CZ2-CB 3.8Å; W458-P488 HydrophobicContact CZ2-CG 4.18Å; W458-P488 VanDerWaalsContact NE1-CD 3.33Å; P488-L493 HydrophobicContact CB-CD2 4.02Å; P488-L493 HydrophobicContact CB-CG 4.15Å; P488-L493 HydrophobicContact CG-CD2 4.4Å
489C78.9Confident77.3Confident74 Ų7469.3 Ų69.350%0.537%0.369SS..PPolyproline II helixtrans-62.9147.9-177.969.20000110.1V487 F491 H492 L493V487-C489 PolarHBondContact O-N 2.75Å; V487-C489 VanDerWaalsContact O-N 3.16Å; C489-F491 PolarHBondContact O-N 2.94Å; C489-F491 VanDerWaalsContact O-N 3.08Å; C489-H492 WeakPolarHBondContact O-CB 3.32Å; C489-H492 PolarHBondContact O-N 3.06Å; C489-H492 VanDerWaalsContact SG-CB 3.57Å; C489-H492 PolarHBondContact SG-N 3.29Å; C489-L493 PolarHBondContact O-N 3.08Å; C489-L493 VanDerWaalsContact O-N 3.12Å
490L78.6Confident77Confident135 Ų13567.8 Ų67.871%0.70736%0.362SS*.Hα-helixtrans-53.6-35.8-178.8-178.265.1000111.8H492 L493 C494L490-H492 PolarHBondContact O-N 3.21Å; L490-L493 PolarHBondContact O-N 3.46Å; L490-C494 WeakPolarHBondContact O-CB 3.46Å; L490-C494 PolarHBondContact O-N 3.17Å; L490-C494 PolarHBondContact O-SG 3.08Å
491F78.2Confident76.8Confident99 Ų9970.7 Ų70.743%0.43438%0.379SS..Hα-helixtrans-63.6-39.5178.8-172.2-111.5000113C489 R495 L522 F525C489-F491 PolarHBondContact O-N 2.94Å; C489-F491 VanDerWaalsContact O-N 3.08Å; F491-R495 PolarHBondContact O-N 3.12Å; F491-L522 HydrophobicContact CE2-CD1 4.33Å; F491-L522 HydrophobicContact CE2-CD2 3.52Å; F491-L522 HydrophobicContact CZ-CD2 3.38Å; F491-F525 HydrophobicContact CD1-CD1 4.19Å; F491-F525 AromaticContact CD1-CE1 3.42Å; F491-F525 HydrophobicContact CD1-CE1 3.42Å; F491-F525 VanDerWaalsContact CD1-CE1 3.42Å; F491-F525 AromaticContact CD1-CE2 3.83Å; F491-F525 HydrophobicContact CD1-CE2 3.83Å; F491-F525 AromaticContact CD1-CZ 3.2Å; F491-F525 HydrophobicContact CD1-CZ 3.2Å; F491-F525 HydrophobicContact CD2-CE1 4.36Å; F491-F525 AromaticContact CE1-CD1 3.32Å; F491-F525 HydrophobicContact CE1-CD1 3.32Å; F491-F525 AromaticContact CE1-CD2 3.63Å; F491-F525 HydrophobicContact CE1-CD2 3.63Å; F491-F525 AromaticContact CE1-CE1 3.01Å; F491-F525 HydrophobicContact CE1-CE1 3.01Å; F491-F525 AromaticContact CE1-CE2 3.35Å; F491-F525 HydrophobicContact CE1-CE2 3.35Å; F491-F525 AromaticContact CE1-CG 3.61Å; F491-F525 HydrophobicContact CE1-CG 3.61Å; F491-F525 AromaticContact CE1-CZ 3.03Å; F491-F525 HydrophobicContact CE1-CZ 3.03Å; F491-F525 HydrophobicContact CE2-CD1 4.12Å; F491-F525 HydrophobicContact CE2-CE1 4.01Å; F491-F525 HydrophobicContact CG-CE1 4.1Å; F491-F525 HydrophobicContact CG-CZ 4.19Å; F491-F525 HydrophobicContact CZ-CB 4.49Å; F491-F525 AromaticContact CZ-CD1 3.26Å; F491-F525 HydrophobicContact CZ-CD1 3.26Å; F491-F525 HydrophobicContact CZ-CD2 4.22Å; F491-F525 AromaticContact CZ-CE1 3.32Å; F491-F525 HydrophobicContact CZ-CE1 3.32Å; F491-F525 HydrophobicContact CZ-CE2 4.29Å; F491-F525 AromaticContact CZ-CG 3.73Å; F491-F525 HydrophobicContact CZ-CG 3.73Å; F491-F525 AromaticContact CZ-CZ 3.87Å; F491-F525 HydrophobicContact CZ-CZ 3.87Å
492H81.3Confident76.5Confident9 Ų969 Ų694%0.04237%0.373CS..Hα-helixtrans-68.6-42.4173.3-178.589.3000111.6E454 W458 C489 L490 C494 R495 L496E454-H492 PolarHBondContact O-CE1 3.44Å; E454-H492 IonicContact OE2-CE1 2.75Å; W458-H492 AromaticContact CZ3-CD2 3.92Å; W458-H492 AromaticContact CZ3-CE1 3.78Å; W458-H492 AromaticContact CZ3-NE2 3.49Å; W458-H492 WeakPolarHBondContact CZ3-NE2 3.37Å; C489-H492 WeakPolarHBondContact O-CB 3.32Å; C489-H492 PolarHBondContact O-N 3.06Å; C489-H492 VanDerWaalsContact SG-CB 3.57Å; C489-H492 PolarHBondContact SG-N 3.29Å; L490-H492 PolarHBondContact O-N 3.21Å; H492-C494 VanDerWaalsContact C-N 3.33Å; H492-C494 PolarHBondContact O-N 3.39Å; H492-R495 VanDerWaalsContact O-CB 3.24Å; H492-R495 WeakPolarHBondContact O-CB 3.38Å; H492-R495 PolarHBondContact O-N 3.29Å; H492-R495 VanDerWaalsContact O-N 3.13Å; H492-L496 WeakPolarHBondContact O-CG 3.49Å; H492-L496 PolarHBondContact O-N 3.3Å
493L82.3Confident76.5Confident57 Ų5763.5 Ų63.530%0.29834%0.34SS..Hα-helixtrans-61.2-41.6175.1-65.9175.6000112.1N457 P488 C489 L490 R495 L496 K497N457-L493 HydrophobicContact CB-CD2 4.39Å; P488-L493 HydrophobicContact CB-CD2 4.02Å; P488-L493 HydrophobicContact CB-CG 4.15Å; P488-L493 HydrophobicContact CG-CD2 4.4Å; C489-L493 PolarHBondContact O-N 3.08Å; C489-L493 VanDerWaalsContact O-N 3.12Å; L490-L493 PolarHBondContact O-N 3.46Å; L493-R495 VanDerWaalsContact C-N 3.35Å; L493-L496 PolarHBondContact O-N 3.12Å; L493-K497 PolarHBondContact O-N 2.71Å
494C81Confident76.3Confident66 Ų6659.4 Ų59.445%0.44633%0.326SS..Hα-helixtrans-61.7-42.6173.3-71.10000111.5L490 H492 L496 K497 V498L490-C494 WeakPolarHBondContact O-CB 3.46Å; L490-C494 PolarHBondContact O-N 3.17Å; L490-C494 PolarHBondContact O-SG 3.08Å; H492-C494 VanDerWaalsContact C-N 3.33Å; H492-C494 PolarHBondContact O-N 3.39Å; C494-L496 PolarHBondContact O-N 3.05Å; C494-K497 PolarHBondContact O-N 3.34Å; C494-V498 VanDerWaalsContact O-CG2 3.28Å; C494-V498 WeakPolarHBondContact O-CG2 3.34Å; C494-V498 PolarHBondContact O-N 3.32Å
495R84.5Confident76Confident5 Ų561.2 Ų61.22%0.01934%0.336CS..Hα-helixtrans-56.8-49.7176.1-165.5-162.4-164.8159.412.2111.9F491 H492 L493 K497 V498 R499 F525 L526 F528 D530F491-R495 PolarHBondContact O-N 3.12Å; H492-R495 VanDerWaalsContact O-CB 3.24Å; H492-R495 WeakPolarHBondContact O-CB 3.38Å; H492-R495 PolarHBondContact O-N 3.29Å; H492-R495 VanDerWaalsContact O-N 3.13Å; L493-R495 VanDerWaalsContact C-N 3.35Å; R495-K497 VanDerWaalsContact C-N 3.32Å; R495-K497 PolarHBondContact O-N 3.43Å; R495-V498 PolarHBondContact O-N 3.28Å; R495-R499 WeakPolarHBondContact O-CB 3.45Å; R495-R499 PolarHBondContact O-N 3.03Å; R495-F525 HydrophobicContact CB-CE1 3.62Å; R495-F525 HydrophobicContact CB-CZ 3.94Å; R495-F525 VanDerWaalsContact CD-CZ 3.45Å; R495-F525 HydrophobicContact CG-CD1 4.18Å; R495-F525 HydrophobicContact CG-CE1 3.58Å; R495-F525 HydrophobicContact CG-CZ 3.9Å; R495-F525 PolarHBondContact NE-O 3.39Å; R495-F525 PolarHBondContact NH2-O 2.83Å; R495-L526 HydrophobicContact CG-CD2 4.48Å; R495-F528 VanDerWaalsContact CD-CE1 3.49Å; R495-F528 HydrophobicContact CG-CE1 4.28Å; R495-F528 HydrophobicContact CG-CE2 3.91Å; R495-F528 HydrophobicContact CG-CZ 3.63Å; R495-F528 VanDerWaalsContact NE-CZ 3.28Å; R495-D530 IonicContact CZ-OD1 3.92Å; R495-D530 IonicContact CZ-OD2 2.74Å; R495-D530 IonicContact NH1-OD2 3.12Å; R495-D530 PolarHBondContact NH1-OD2 3.28Å; R495-D530 VanDerWaalsContact NH2-CG 3.28Å; R495-D530 IonicContact NH2-OD1 3.79Å; R495-D530 PolarHBondContact NH2-OD1 2.99Å; R495-D530 IonicContact NH2-OD2 3.71Å; R495-D530 PolarHBondContact NH2-OD2 3.4Å; R495-D530 VanDerWaalsContact NH2-OD2 3.12Å
496L83.3Confident76.5Confident25 Ų2559.5 Ų59.513%0.13133%0.325CS..Hα-helixtrans-61.6-42.1178-66.2-179.7000111.1F455 N457 H492 L493 C494 R499 E500F455-L496 WeakPolarHBondContact O-CD2 3.38Å; N457-L496 HydrophobicContact CB-CD1 3.96Å; H492-L496 WeakPolarHBondContact O-CG 3.49Å; H492-L496 PolarHBondContact O-N 3.3Å; L493-L496 PolarHBondContact O-N 3.12Å; C494-L496 PolarHBondContact O-N 3.05Å; L496-R499 WeakPolarHBondContact O-CB 3.32Å; L496-R499 PolarHBondContact O-N 3.29Å; L496-E500 WeakPolarHBondContact O-CB 3.41Å; L496-E500 PolarHBondContact O-N 3.45Å
497K81.6Confident76.9Confident111 Ų11156.5 Ų56.548%0.48330%0.304SS..Hα-helixtrans-67.7-37.6179.5-164.451.9165.9179.30113L493 C494 R495 R499 E500 V501L493-K497 PolarHBondContact O-N 2.71Å; C494-K497 PolarHBondContact O-N 3.34Å; R495-K497 VanDerWaalsContact C-N 3.32Å; R495-K497 PolarHBondContact O-N 3.43Å; K497-R499 VanDerWaalsContact C-N 3.35Å; K497-E500 HydrophobicContact CD-CB 4.46Å; K497-E500 WeakPolarHBondContact CD-OE2 3.44Å; K497-E500 IonicContact NZ-OE1 2.65Å; K497-E500 PolarHBondContact NZ-OE1 2.58Å; K497-E500 IonicContact NZ-OE2 3.52Å; K497-E500 PolarHBondContact NZ-OE2 3.01Å; K497-E500 WeakPolarHBondContact O-CB 3.3Å; K497-E500 PolarHBondContact O-N 2.89Å; K497-V501 WeakPolarHBondContact O-CG2 3.22Å; K497-V501 PolarHBondContact O-N 3.1Å; K497-V501 VanDerWaalsContact O-N 3.12Å
498V81.5Confident76.9Confident47 Ų4754.1 Ų54.129%0.28529%0.285SS..Hα-helixtrans-65.2-41.1173.9171.90000110.8C494 R495 V501 L502 L507 L526C494-V498 VanDerWaalsContact O-CG2 3.28Å; C494-V498 WeakPolarHBondContact O-CG2 3.34Å; C494-V498 PolarHBondContact O-N 3.32Å; R495-V498 PolarHBondContact O-N 3.28Å; V498-V501 PolarHBondContact O-N 2.75Å; V498-L502 HydrophobicContact CG1-CD1 3.77Å; V498-L502 PolarHBondContact O-N 3.25Å; V498-L507 HydrophobicContact CG1-CD2 4.2Å; V498-L526 HydrophobicContact CB-CD2 4.18Å; V498-L526 HydrophobicContact CG1-CD2 3.96Å; V498-L526 HydrophobicContact CG2-CD2 4.47Å
499R81.4Confident76.7Confident21 Ų2159.3 Ų59.38%0.07930%0.303CS..Hα-helixtrans-62.5-40.8174-179.4-178.3168.689.97.1112.8L426 R495 L496 K497 G503 L507 F528L426-R499 PolarHBondContact O-NH2 3.28Å; R495-R499 WeakPolarHBondContact O-CB 3.45Å; R495-R499 PolarHBondContact O-N 3.03Å; L496-R499 WeakPolarHBondContact O-CB 3.32Å; L496-R499 PolarHBondContact O-N 3.29Å; K497-R499 VanDerWaalsContact C-N 3.35Å; R499-G503 VanDerWaalsContact O-CA 3.22Å; R499-G503 WeakPolarHBondContact O-CA 3.38Å; R499-G503 PolarHBondContact O-N 2.98Å; R499-L507 VanDerWaalsContact CA-CD1 3.5Å; R499-L507 HydrophobicContact CB-CD1 3.81Å; R499-L507 HydrophobicContact CG-CD1 4.08Å; R499-F528 HydrophobicContact CB-CE2 4.31Å; R499-F528 HydrophobicContact CG-CE2 4.43Å
500E77.8Confident75.9Confident121 Ų12159.1 Ų59.157%0.56530%0.3SS*.Hα-helixtrans-60.1-44.6175.6-167-168.8143.500111.5L496 K497L496-E500 WeakPolarHBondContact O-CB 3.41Å; L496-E500 PolarHBondContact O-N 3.45Å; K497-E500 HydrophobicContact CD-CB 4.46Å; K497-E500 WeakPolarHBondContact CD-OE2 3.44Å; K497-E500 IonicContact NZ-OE1 2.65Å; K497-E500 PolarHBondContact NZ-OE1 2.58Å; K497-E500 IonicContact NZ-OE2 3.52Å; K497-E500 PolarHBondContact NZ-OE2 3.01Å; K497-E500 WeakPolarHBondContact O-CB 3.3Å; K497-E500 PolarHBondContact O-N 2.89Å
501V76.8Confident75.5Confident90 Ų9056.8 Ų56.855%0.54529%0.289SS..Hα-helixtrans-76.6-47.7-175.7173.60000113.2K497 V498K497-V501 WeakPolarHBondContact O-CG2 3.22Å; K497-V501 PolarHBondContact O-N 3.1Å; K497-V501 VanDerWaalsContact O-N 3.12Å; V498-V501 PolarHBondContact O-N 2.75Å
502L74.1Confident75.1Confident46 Ų4653.5 Ų53.524%0.24128%0.277CS..Hα-helixtrans-82.8-28.8-175.5-67.2174.5000112.1R380 V498 L507 L516R380-L502 PolarHBondContact NH2-O 3.21Å; V498-L502 HydrophobicContact CG1-CD1 3.77Å; V498-L502 PolarHBondContact O-N 3.25Å; L502-L507 HydrophobicContact CB-CD2 4.38Å; L502-L507 HydrophobicContact CB-CG 4.17Å; L502-L507 HydrophobicContact CD1-CD2 3.79Å; L502-L507 HydrophobicContact CD1-CG 4.48Å; L502-L516 HydrophobicContact CD1-CD1 3.9Å; L502-L516 HydrophobicContact CD1-CD2 3.94Å
503G71.7Confident74.6Confident5 Ų553.1 Ų53.15%0.05228%0.275CS..  trans76.1154-169.400000112.5R499 D505 Q506 L507R499-G503 VanDerWaalsContact O-CA 3.22Å; R499-G503 WeakPolarHBondContact O-CA 3.38Å; R499-G503 PolarHBondContact O-N 2.98Å; G503-D505 PolarHBondContact O-N 3.48Å; G503-Q506 PolarHBondContact O-N 2.87Å; G503-L507 PolarHBondContact O-N 3.3Å
504P70.6Confident74.1Confident17 Ų1756.7 Ų56.711%0.1129%0.29CS..Hα-helixtrans-63.8-39.4-175.813.7-19.6000113.4Q506 L507 M508P504-Q506 PolarHBondContact O-N 3Å; P504-L507 PolarHBondContact O-N 3.38Å; P504-L507 VanDerWaalsContact O-N 3.11Å; P504-M508 VanDerWaalsContact O-CG 3.29Å; P504-M508 WeakPolarHBondContact O-CG 3.48Å; P504-M508 PolarHBondContact O-N 3.37Å
505D65.5Low73.9Confident56 Ų5660.6 Ų60.630%0.29930%0.301SS..Hα-helixtrans-56.2-37.7179.5-69.8-27.6000113.5G503 R509G503-D505 PolarHBondContact O-N 3.48Å; D505-R509 WeakPolarHBondContact O-CG 3.25Å
506Q71.1Confident73.5Confident63 Ų6362.6 Ų62.629%0.29431%0.313SS..Hα-helixtrans-81.3-35.5179.7-63.6-66.3-5.500111G503 P504 M508 R509 V512G503-Q506 PolarHBondContact O-N 2.87Å; P504-Q506 PolarHBondContact O-N 3Å; Q506-M508 VanDerWaalsContact C-N 3.32Å; Q506-M508 PolarHBondContact O-N 3.24Å; Q506-R509 PolarHBondContact O-N 3.41Å; Q506-V512 HydrophobicContact CB-CG1 4.27Å; Q506-V512 WeakPolarHBondContact O-CB 3.27Å
507L72.8Confident73.2Confident4 Ų468.7 Ų68.72%0.02135%0.35CS..Hα-helixtrans-65.4-33.9174.2-75.7176.9000112.6V498 R499 L502 G503 P504 R509 V513 L526 K527V498-L507 HydrophobicContact CG1-CD2 4.2Å; R499-L507 VanDerWaalsContact CA-CD1 3.5Å; R499-L507 HydrophobicContact CB-CD1 3.81Å; R499-L507 HydrophobicContact CG-CD1 4.08Å; L502-L507 HydrophobicContact CB-CD2 4.38Å; L502-L507 HydrophobicContact CB-CG 4.17Å; L502-L507 HydrophobicContact CD1-CD2 3.79Å; L502-L507 HydrophobicContact CD1-CG 4.48Å; G503-L507 PolarHBondContact O-N 3.3Å; P504-L507 PolarHBondContact O-N 3.38Å; P504-L507 VanDerWaalsContact O-N 3.11Å; L507-R509 PolarHBondContact O-N 2.77Å; L507-V513 HydrophobicContact CD2-CG2 4.11Å; L507-V513 WeakPolarHBondContact O-CG2 3.5Å; L507-L526 HydrophobicContact CD2-CB 4.46Å; L507-K527 VanDerWaalsContact O-CG 3.32Å; L507-K527 WeakPolarHBondContact O-CG 3.28Å
508M66.8Low73Confident77 Ų7765.8 Ų65.838%0.37934%0.342SS..THydrogen-bonded Turntrans-74.3-13.5178.1-64-56.2-98.500113P504 Q506P504-M508 VanDerWaalsContact O-CG 3.29Å; P504-M508 WeakPolarHBondContact O-CG 3.48Å; P504-M508 PolarHBondContact O-N 3.37Å; Q506-M508 VanDerWaalsContact C-N 3.32Å; Q506-M508 PolarHBondContact O-N 3.24Å
509R70.2Confident72.9Confident117 Ų11767.6 Ų67.644%0.44236%0.355SS..  trans-84.5118.6176.9-71.4175.4179-165.9-4.6111.3D505 Q506 L507 N511 V512 V513D505-R509 WeakPolarHBondContact O-CG 3.25Å; Q506-R509 PolarHBondContact O-N 3.41Å; L507-R509 PolarHBondContact O-N 2.77Å; R509-N511 VanDerWaalsContact C-N 3.29Å; R509-N511 WeakPolarHBondContact CB-OD1 3.4Å; R509-N511 PolarHBondContact O-N 3.34Å; R509-V512 HydrophobicContact CB-CB 4.42Å; R509-V512 HydrophobicContact CB-CG2 4.11Å; R509-V512 PolarHBondContact O-N 3.28Å; R509-V513 PolarHBondContact O-N 3.33Å
510T62.3Low72.5Confident71 Ų7171 Ų7144%0.43638%0.381SS..Hα-helixtrans-58-38.8-176.243.70000113.3Q514T510-Q514 WeakPolarHBondContact O-CB 3.4Å; T510-Q514 WeakPolarHBondContact O-CG 3.42Å; T510-Q514 PolarHBondContact O-N 3.42Å; T510-Q514 VanDerWaalsContact O-N 3.08Å
511N70.1Confident72.3Confident86 Ų8670.2 Ų70.246%0.4639%0.387SS..Hα-helixtrans-65.9-37.3179.360.9-18.7000113.3R509 Q515R509-N511 VanDerWaalsContact C-N 3.29Å; R509-N511 WeakPolarHBondContact CB-OD1 3.4Å; R509-N511 PolarHBondContact O-N 3.34Å; N511-Q515 VanDerWaalsContact O-CG 3.23Å; N511-Q515 WeakPolarHBondContact O-CG 3.4Å; N511-Q515 PolarHBondContact O-N 3.09Å
512V70.9Confident72.2Confident30 Ų3068.3 Ų68.318%0.18237%0.373CS..Hα-helixtrans-74.8-43.2-179.1179.50000110.8Q506 R509 Q514 Q515Q506-V512 HydrophobicContact CB-CG1 4.27Å; Q506-V512 WeakPolarHBondContact O-CB 3.27Å; R509-V512 HydrophobicContact CB-CB 4.42Å; R509-V512 HydrophobicContact CB-CG2 4.11Å; R509-V512 PolarHBondContact O-N 3.28Å; V512-Q514 VanDerWaalsContact C-N 3.33Å; V512-Q514 PolarHBondContact O-N 2.99Å; V512-Q515 WeakPolarHBondContact O-CB 3.26Å; V512-Q515 PolarHBondContact O-N 3.22Å; V512-Q515 VanDerWaalsContact O-N 3.14Å
513V69.8Low72.3Confident0 Ų067.2 Ų67.20%037%0.367CS..Hα-helixtrans-67.2-35.3178.5178.30000111.8L507 R509 Q515 L516 H523 K527L507-V513 HydrophobicContact CD2-CG2 4.11Å; L507-V513 WeakPolarHBondContact O-CG2 3.5Å; R509-V513 PolarHBondContact O-N 3.33Å; V513-Q515 PolarHBondContact O-N 3.48Å; V513-L516 HydrophobicContact CG1-CD1 4.39Å; V513-L516 WeakPolarHBondContact O-CB 3.42Å; V513-L516 PolarHBondContact O-N 3.08Å; V513-L516 VanDerWaalsContact O-N 3.14Å; V513-H523 HydrophobicContact CG1-CB 3.67Å; V513-H523 PolarHBondContact O-CD2 2.99Å; V513-H523 PolarHBondContact O-NE2 3.34Å; V513-K527 HydrophobicContact CG2-CG 4.26Å
514Q72.4Confident72.3Confident132 Ų13270.7 Ų70.762%0.61739%0.385SS*.THydrogen-bonded Turntrans-66.7-17.7174.4-76.8173.2-11.400113.9T510 V512T510-Q514 WeakPolarHBondContact O-CB 3.4Å; T510-Q514 WeakPolarHBondContact O-CG 3.42Å; T510-Q514 PolarHBondContact O-N 3.42Å; T510-Q514 VanDerWaalsContact O-N 3.08Å; V512-Q514 VanDerWaalsContact C-N 3.33Å; V512-Q514 PolarHBondContact O-N 2.99Å
515Q76.3Confident72.5Confident148 Ų14871.5 Ų71.569%0.69239%0.386SS*.THydrogen-bonded Turntrans-87-9.5175.4-71.1169.58.700112.8N511 V512 V513N511-Q515 VanDerWaalsContact O-CG 3.23Å; N511-Q515 WeakPolarHBondContact O-CG 3.4Å; N511-Q515 PolarHBondContact O-N 3.09Å; V512-Q515 WeakPolarHBondContact O-CB 3.26Å; V512-Q515 PolarHBondContact O-N 3.22Å; V512-Q515 VanDerWaalsContact O-N 3.14Å; V513-Q515 PolarHBondContact O-N 3.48Å
516L75.8Confident72.9Confident48 Ų4869.6 Ų69.625%0.25138%0.376SS..SBendtrans-72.6137.4174.8-63.4173.3000109.6L502 V513 V518 L526L502-L516 HydrophobicContact CD1-CD1 3.9Å; L502-L516 HydrophobicContact CD1-CD2 3.94Å; V513-L516 HydrophobicContact CG1-CD1 4.39Å; V513-L516 WeakPolarHBondContact O-CB 3.42Å; V513-L516 PolarHBondContact O-N 3.08Å; V513-L516 VanDerWaalsContact O-N 3.14Å; L516-V518 HydrophobicContact CB-CG2 3.94Å; L516-V518 PolarHBondContact O-N 2.98Å; L516-L526 HydrophobicContact CD1-CD1 3.98Å
517V77.9Confident72.8Confident153 Ų15367.1 Ų67.193%0.92736%0.364SS*.SBendtrans-78.960178.9-166.30000109.8
518V78.2Confident72.8Confident49 Ų4967.6 Ų67.630%0.29737%0.366SS..SBendtrans-129.4148.9178-63.10000110.1L516 L522 H523 L526L516-V518 HydrophobicContact CB-CG2 3.94Å; L516-V518 PolarHBondContact O-N 2.98Å; V518-L522 HydrophobicContact CB-CB 4.38Å; V518-L522 HydrophobicContact CB-CD1 4.4Å; V518-L522 HydrophobicContact CG2-CB 4.38Å; V518-H523 WeakPolarHBondContact CG2-CD2 3.42Å; V518-H523 WeakPolarHBondContact CG2-NE2 3.36Å; V518-H523 PolarHBondContact O-NE2 3.08Å; V518-L526 HydrophobicContact CG2-CD1 3.96Å
519P78.6Confident72.8Confident86 Ų8671.1 Ų71.156%0.55838%0.375SS*.  trans-53.5141.2175.9-28.632.6000113.1P521 L522P519-P521 VanDerWaalsContact C-N 3.31Å; P519-P521 VanDerWaalsContact O-N 3.12Å; P519-L522 HydrophobicContact CB-CG 4.33Å; P519-L522 HydrophobicContact CG-CD1 4.27Å; P519-L522 WeakPolarHBondContact O-CA 3.27Å; P519-L522 VanDerWaalsContact O-CB 3.29Å; P519-L522 WeakPolarHBondContact O-CB 2.94Å; P519-L522 PolarHBondContact O-N 2.94Å
520S73.1Confident72.5Confident91 Ų9169.9 Ų69.964%0.63638%0.378SS*.Hα-helixtrans-48.9-38.9-178.7-50.10000115.6L522 H523S520-L522 PolarHBondContact O-N 2.88Å; S520-H523 VanDerWaalsContact O-CB 3.31Å; S520-H523 WeakPolarHBondContact O-CB 3.31Å; S520-H523 PolarHBondContact O-N 3.04Å; S520-H523 VanDerWaalsContact O-N 3.11Å
521P73.7Confident72.8Confident105 Ų10567.8 Ų67.868%0.68236%0.363SS*.Hα-helixtrans-63.1-25.1175.9-22.934.8000114P519 H523P519-P521 VanDerWaalsContact C-N 3.31Å; P519-P521 VanDerWaalsContact O-N 3.12Å; P521-H523 VanDerWaalsContact C-N 3.3Å
522L73.9Confident72.5Confident51 Ų5171.6 Ų71.627%0.26738%0.378SS..Hα-helixtrans-78-16.3177.1-59.3-170.3000112.5F491 V518 P519 S520 F525 L526F491-L522 HydrophobicContact CE2-CD1 4.33Å; F491-L522 HydrophobicContact CE2-CD2 3.52Å; F491-L522 HydrophobicContact CZ-CD2 3.38Å; V518-L522 HydrophobicContact CB-CB 4.38Å; V518-L522 HydrophobicContact CB-CD1 4.4Å; V518-L522 HydrophobicContact CG2-CB 4.38Å; P519-L522 HydrophobicContact CB-CG 4.33Å; P519-L522 HydrophobicContact CG-CD1 4.27Å; P519-L522 WeakPolarHBondContact O-CA 3.27Å; P519-L522 VanDerWaalsContact O-CB 3.29Å; P519-L522 WeakPolarHBondContact O-CB 2.94Å; P519-L522 PolarHBondContact O-N 2.94Å; S520-L522 PolarHBondContact O-N 2.88Å; L522-F525 PolarHBondContact O-N 3.21Å; L522-L526 WeakPolarHBondContact O-CB 3.32Å; L522-L526 VanDerWaalsContact O-CG 3.3Å; L522-L526 WeakPolarHBondContact O-CG 3.43Å; L522-L526 PolarHBondContact O-N 2.91Å
523H75.8Confident72.2Confident22 Ų2276.5 Ų76.510%0.10240%0.399CS..Hα-helixtrans-65.4-38.8178.5-66.7157.3000112.5V513 V518 S520 P521 K527V513-H523 HydrophobicContact CG1-CB 3.67Å; V513-H523 PolarHBondContact O-CD2 2.99Å; V513-H523 PolarHBondContact O-NE2 3.34Å; V518-H523 WeakPolarHBondContact CG2-CD2 3.42Å; V518-H523 WeakPolarHBondContact CG2-NE2 3.36Å; V518-H523 PolarHBondContact O-NE2 3.08Å; S520-H523 VanDerWaalsContact O-CB 3.31Å; S520-H523 WeakPolarHBondContact O-CB 3.31Å; S520-H523 PolarHBondContact O-N 3.04Å; S520-H523 VanDerWaalsContact O-N 3.11Å; P521-H523 VanDerWaalsContact C-N 3.3Å; H523-K527 WeakPolarHBondContact O-CD 3.3Å; H523-K527 VanDerWaalsContact O-CG 3.27Å; H523-K527 WeakPolarHBondContact O-CG 3.44Å; H523-K527 PolarHBondContact O-N 3.41Å
524D72.4Confident72Confident79 Ų7978 Ų7842%0.42241%0.407SS..Hα-helixtrans-73.8-36.2178.1-69.4-34.3000111.4K527 F528 R529D524-K527 PolarHBondContact O-N 3.17Å; D524-F528 PolarHBondContact O-N 3.47Å; D524-R529 PolarHBondContact O-N 2.85Å; D524-R529 IonicContact OD1-NH1 2.63Å
525F75.4Confident71Confident34 Ų3476.3 Ų76.315%0.14941%0.41CS..Hα-helixtrans-61.4-45.3171179.1-102.5000112F491 R495 L522 K527 F528F491-F525 HydrophobicContact CD1-CD1 4.19Å; F491-F525 AromaticContact CD1-CE1 3.42Å; F491-F525 HydrophobicContact CD1-CE1 3.42Å; F491-F525 VanDerWaalsContact CD1-CE1 3.42Å; F491-F525 AromaticContact CD1-CE2 3.83Å; F491-F525 HydrophobicContact CD1-CE2 3.83Å; F491-F525 AromaticContact CD1-CZ 3.2Å; F491-F525 HydrophobicContact CD1-CZ 3.2Å; F491-F525 HydrophobicContact CD2-CE1 4.36Å; F491-F525 AromaticContact CE1-CD1 3.32Å; F491-F525 HydrophobicContact CE1-CD1 3.32Å; F491-F525 AromaticContact CE1-CD2 3.63Å; F491-F525 HydrophobicContact CE1-CD2 3.63Å; F491-F525 AromaticContact CE1-CE1 3.01Å; F491-F525 HydrophobicContact CE1-CE1 3.01Å; F491-F525 AromaticContact CE1-CE2 3.35Å; F491-F525 HydrophobicContact CE1-CE2 3.35Å; F491-F525 AromaticContact CE1-CG 3.61Å; F491-F525 HydrophobicContact CE1-CG 3.61Å; F491-F525 AromaticContact CE1-CZ 3.03Å; F491-F525 HydrophobicContact CE1-CZ 3.03Å; F491-F525 HydrophobicContact CE2-CD1 4.12Å; F491-F525 HydrophobicContact CE2-CE1 4.01Å; F491-F525 HydrophobicContact CG-CE1 4.1Å; F491-F525 HydrophobicContact CG-CZ 4.19Å; F491-F525 HydrophobicContact CZ-CB 4.49Å; F491-F525 AromaticContact CZ-CD1 3.26Å; F491-F525 HydrophobicContact CZ-CD1 3.26Å; F491-F525 HydrophobicContact CZ-CD2 4.22Å; F491-F525 AromaticContact CZ-CE1 3.32Å; F491-F525 HydrophobicContact CZ-CE1 3.32Å; F491-F525 HydrophobicContact CZ-CE2 4.29Å; F491-F525 AromaticContact CZ-CG 3.73Å; F491-F525 HydrophobicContact CZ-CG 3.73Å; F491-F525 AromaticContact CZ-CZ 3.87Å; F491-F525 HydrophobicContact CZ-CZ 3.87Å; R495-F525 HydrophobicContact CB-CE1 3.62Å; R495-F525 HydrophobicContact CB-CZ 3.94Å; R495-F525 VanDerWaalsContact CD-CZ 3.45Å; R495-F525 HydrophobicContact CG-CD1 4.18Å; R495-F525 HydrophobicContact CG-CE1 3.58Å; R495-F525 HydrophobicContact CG-CZ 3.9Å; R495-F525 PolarHBondContact NE-O 3.39Å; R495-F525 PolarHBondContact NH2-O 2.83Å; L522-F525 PolarHBondContact O-N 3.21Å; F525-K527 PolarHBondContact O-N 3.34Å; F525-K527 VanDerWaalsContact O-N 3.17Å; F525-F528 PolarHBondContact O-N 3.28Å; F525-F528 VanDerWaalsContact O-N 3.13Å
526L74.1Confident69.8Low15 Ų1573.1 Ų73.18%0.07940%0.404CS..Hα-helixtrans-65.4-20.5177-70.7175.8000113.5R495 V498 L507 L516 V518 L522 F528R495-L526 HydrophobicContact CG-CD2 4.48Å; V498-L526 HydrophobicContact CB-CD2 4.18Å; V498-L526 HydrophobicContact CG1-CD2 3.96Å; V498-L526 HydrophobicContact CG2-CD2 4.47Å; L507-L526 HydrophobicContact CD2-CB 4.46Å; L516-L526 HydrophobicContact CD1-CD1 3.98Å; V518-L526 HydrophobicContact CG2-CD1 3.96Å; L522-L526 WeakPolarHBondContact O-CB 3.32Å; L522-L526 VanDerWaalsContact O-CG 3.3Å; L522-L526 WeakPolarHBondContact O-CG 3.43Å; L522-L526 PolarHBondContact O-N 2.91Å; L526-F528 WeakPolarHBondContact O-CD2 3.3Å
527K68.4Low68.4Low11 Ų1175.8 Ų75.85%0.04842%0.422CS..THydrogen-bonded Turntrans-88.5-3.8176.6-73171.5-174.9165.80114.5L507 V513 H523 D524 F525 R529L507-K527 VanDerWaalsContact O-CG 3.32Å; L507-K527 WeakPolarHBondContact O-CG 3.28Å; V513-K527 HydrophobicContact CG2-CG 4.26Å; H523-K527 WeakPolarHBondContact O-CD 3.3Å; H523-K527 VanDerWaalsContact O-CG 3.27Å; H523-K527 WeakPolarHBondContact O-CG 3.44Å; H523-K527 PolarHBondContact O-N 3.41Å; D524-K527 PolarHBondContact O-N 3.17Å; F525-K527 PolarHBondContact O-N 3.34Å; F525-K527 VanDerWaalsContact O-N 3.17Å; K527-R529 HydrophobicContact CB-CG 3.83Å; K527-R529 PolarHBondContact O-N 3.22Å
528F72.1Confident67Low15 Ų1580.3 Ų80.37%0.06642%0.423CS..THydrogen-bonded Turntrans60.127.9-175.8-60.2-108.1000113.9F455 R495 R499 D524 F525 L526 I531F455-F528 AromaticContact CD1-CD1 3.79Å; F455-F528 HydrophobicContact CD1-CD1 3.79Å; F455-F528 AromaticContact CD1-CE1 3.59Å; F455-F528 HydrophobicContact CD1-CE1 3.59Å; F455-F528 HydrophobicContact CD1-CG 4.46Å; F455-F528 HydrophobicContact CD1-CZ 4.09Å; F455-F528 HydrophobicContact CE1-CB 4.1Å; F455-F528 AromaticContact CE1-CD1 3.22Å; F455-F528 HydrophobicContact CE1-CD1 3.22Å; F455-F528 HydrophobicContact CE1-CD2 4.19Å; F455-F528 AromaticContact CE1-CE1 3.54Å; F455-F528 HydrophobicContact CE1-CE1 3.54Å; F455-F528 HydrophobicContact CE1-CE2 4.45Å; F455-F528 AromaticContact CE1-CG 3.6Å; F455-F528 HydrophobicContact CE1-CG 3.6Å; F455-F528 HydrophobicContact CE1-CZ 4.15Å; F455-F528 HydrophobicContact CE2-CD1 4.42Å; F455-F528 HydrophobicContact CG-CE1 4.35Å; F455-F528 HydrophobicContact CZ-CB 4.11Å; F455-F528 AromaticContact CZ-CD1 3.6Å; F455-F528 HydrophobicContact CZ-CD1 3.6Å; F455-F528 HydrophobicContact CZ-CE1 4.24Å; F455-F528 HydrophobicContact CZ-CG 4.03Å; R495-F528 VanDerWaalsContact CD-CE1 3.49Å; R495-F528 HydrophobicContact CG-CE1 4.28Å; R495-F528 HydrophobicContact CG-CE2 3.91Å; R495-F528 HydrophobicContact CG-CZ 3.63Å; R495-F528 VanDerWaalsContact NE-CZ 3.28Å; R499-F528 HydrophobicContact CB-CE2 4.31Å; R499-F528 HydrophobicContact CG-CE2 4.43Å; D524-F528 PolarHBondContact O-N 3.47Å; F525-F528 PolarHBondContact O-N 3.28Å; F525-F528 VanDerWaalsContact O-N 3.13Å; L526-F528 WeakPolarHBondContact O-CD2 3.3Å; F528-I531 HydrophobicContact CB-CD1 4.21Å; F528-I531 HydrophobicContact CD1-CD1 3.56Å; F528-I531 HydrophobicContact CE1-CD1 4.46Å; F528-I531 HydrophobicContact CG-CD1 4.37Å; F528-I531 PolarHBondContact O-N 3.38Å
529R66.6Low65.7Low150 Ų15079.3 Ų79.357%0.56642%0.417SS*.THydrogen-bonded Turntrans-79.1-18.8178.3-73.1-179.1172.8-162.4-8114.1D524 K527 I531D524-R529 PolarHBondContact O-N 2.85Å; D524-R529 IonicContact OD1-NH1 2.63Å; K527-R529 HydrophobicContact CB-CG 3.83Å; K527-R529 PolarHBondContact O-N 3.22Å; R529-I531 VanDerWaalsContact C-N 3.26Å
530D65.1Low64.6Low92 Ų9278.3 Ų78.349%0.49241%0.411SS..THydrogen-bonded Turntrans-73.3-16.7173.352.3-51.8000112.8R495R495-D530 IonicContact CZ-OD1 3.92Å; R495-D530 IonicContact CZ-OD2 2.74Å; R495-D530 IonicContact NH1-OD2 3.12Å; R495-D530 PolarHBondContact NH1-OD2 3.28Å; R495-D530 VanDerWaalsContact NH2-CG 3.28Å; R495-D530 IonicContact NH2-OD1 3.79Å; R495-D530 PolarHBondContact NH2-OD1 2.99Å; R495-D530 IonicContact NH2-OD2 3.71Å; R495-D530 PolarHBondContact NH2-OD2 3.4Å; R495-D530 VanDerWaalsContact NH2-OD2 3.12Å
531I68.6Low63.5Low27 Ų2779.6 Ų79.614%0.13842%0.417CS..SBendtrans-88.4122.6175.7-53.7-179.5000108.2Y451 E454 F455 F528 R529 E533Y451-I531 HydrophobicContact CD2-CG2 3.44Å; Y451-I531 VanDerWaalsContact CD2-CG2 3.44Å; Y451-I531 HydrophobicContact CE2-CB 4.4Å; Y451-I531 HydrophobicContact CE2-CG2 3.44Å; Y451-I531 VanDerWaalsContact CE2-CG2 3.44Å; E454-I531 HydrophobicContact CB-CD1 3.57Å; E454-I531 HydrophobicContact CG-CD1 3.81Å; F455-I531 HydrophobicContact CE2-CD1 4.14Å; F455-I531 HydrophobicContact CZ-CD1 4.16Å; F528-I531 HydrophobicContact CB-CD1 4.21Å; F528-I531 HydrophobicContact CD1-CD1 3.56Å; F528-I531 HydrophobicContact CE1-CD1 4.46Å; F528-I531 HydrophobicContact CG-CD1 4.37Å; F528-I531 PolarHBondContact O-N 3.38Å; R529-I531 VanDerWaalsContact C-N 3.26Å; I531-E533 PolarHBondContact O-N 3.3Å
532Q63.8Low62.5Low166 Ų16675.5 Ų75.578%0.77639%0.391SS*.PPolyproline II helixtrans-63.5128.1176.6-168.6169.7-6.900109.8
533E63.8Low61.2Low132 Ų13277.3 Ų77.362%0.61741%0.406SS*.PPolyproline II helixtrans-63.1138.2172.2-73.8-178.6168.200109.6I531 S535I531-E533 PolarHBondContact O-N 3.3Å; E533-S535 PolarHBondContact O-N 3.43Å; E533-S535 VanDerWaalsContact O-N 3.13Å
534L65.7Low60Low33 Ų3377.7 Ų77.717%0.17341%0.41CS..PPolyproline II helixtrans-56.7116.7-178.2-69.4159.2000109.5S419 L422 D447 V448 Y451S419-L534 WeakPolarHBondContact O-CB 3.33Å; L422-L534 HydrophobicContact CB-CD1 4.31Å; L422-L534 HydrophobicContact CD2-CD1 4.22Å; D447-L534 HydrophobicContact CB-CD2 3.96Å; V448-L534 HydrophobicContact CG2-CD1 4.44Å; V448-L534 HydrophobicContact CG2-CD2 4.21Å; Y451-L534 HydrophobicContact CD1-CD1 3.89Å; Y451-L534 HydrophobicContact CD2-CD1 4.46Å; Y451-L534 HydrophobicContact CD2-CG 4.22Å; Y451-L534 HydrophobicContact CE1-CD1 4.45Å; Y451-L534 HydrophobicContact CG-CD1 3.9Å; Y451-L534 HydrophobicContact CG-CD2 4.42Å; Y451-L534 HydrophobicContact CG-CG 4.07Å
535S51.9Low58.6Low96 Ų9678.7 Ų78.767%0.67141%0.414SS*.PPolyproline II helixtrans-87.2117.2174.660.60000109.6E533 T537E533-S535 PolarHBondContact O-N 3.43Å; E533-S535 VanDerWaalsContact O-N 3.13Å; S535-T537 PolarHBondContact O-N 3.07Å; S535-T537 VanDerWaalsContact O-N 3.13Å
536S50Low56.7Low81 Ų8182.6 Ų82.657%0.56644%0.436SS*.  trans-62.5112.1-176.163.80000112.5
537T47.3Very low55.1Low104 Ų10491.7 Ų91.764%0.63847%0.47SS*.  trans-68.9135.4147.932.30000107.7S535 P539S535-T537 PolarHBondContact O-N 3.07Å; S535-T537 VanDerWaalsContact O-N 3.13Å; T537-P539 WeakPolarHBondContact O-CD 3.47Å
538R47.7Very low53.6Low247 Ų24793.3 Ų93.393%0.93248%0.478SS*.  trans-44.7113.8-171.1-83.9-178.3179.1175.8-0.5111.6
539P52.3Low51.7Low28 Ų2899.5 Ų99.518%0.18251%0.507CS..PPolyproline II helixtrans-69.3160.5177.627-31.7000110.8D364 F417 T537D364-P539 HydrophobicContact CB-CG 3.46Å; D364-P539 VanDerWaalsContact CB-CG 3.46Å; F417-P539 HydrophobicContact CD1-CB 3.67Å; F417-P539 HydrophobicContact CD1-CG 4.25Å; F417-P539 HydrophobicContact CE1-CB 3.67Å; F417-P539 HydrophobicContact CE1-CG 4.23Å; T537-P539 WeakPolarHBondContact O-CD 3.47Å
540P55.3Low50.1Low65 Ų65102.3 Ų102.342%0.42252%0.518SS..PPolyproline II helixtrans-58.9150.3178.723.8-32.9000111.5D416 F417 S542D416-P540 HydrophobicContact CB-CG 4.27Å; F417-P540 HydrophobicContact CE2-CG 4.41Å; F417-P540 HydrophobicContact CZ-CG 4.04Å; F417-P540 WeakPolarHBondContact CZ-O 3.44Å; P540-S542 PolarHBondContact O-N 3.32Å
541P50.4Low48.7Very low119 Ų119101.2 Ų101.277%0.77351%0.507SS*.PPolyproline II helixtrans-58.1127.6178.223.4-32.1000110.3
542S52.1Low46.9Very low18 Ų18109.6 Ų109.613%0.12654%0.537CS..PPolyproline II helixtrans-59.7126.6-175.7-177.80000111G362 P540 V544 I545G362-S542 PolarHBondContact O-OG 3.17Å; G362-S542 VanDerWaalsContact O-OG 3.05Å; P540-S542 PolarHBondContact O-N 3.32Å; S542-V544 PolarHBondContact O-N 3.38Å; S542-V544 VanDerWaalsContact O-N 3.08Å; S542-I545 PolarHBondContact O-N 3.03Å
543P46.1Very low45.4Very low90 Ų90106.4 Ų106.458%0.58453%0.534SS*.THydrogen-bonded Turntrans-65.4-12178.825.5-32.8000113.2
544V50.6Low43.8Very low30 Ų30104 Ų10418%0.18253%0.528CS..THydrogen-bonded Turntrans-71.8-28.7-179.5-176.80000112Y359 S542 N546 R547Y359-V544 HydrophobicContact CD2-CG1 4Å; Y359-V544 HydrophobicContact CE2-CG1 4.12Å; S542-V544 PolarHBondContact O-N 3.38Å; S542-V544 VanDerWaalsContact O-N 3.08Å; V544-N546 VanDerWaalsContact C-N 3.28Å; V544-N546 PolarHBondContact O-N 3.02Å; V544-R547 PolarHBondContact O-N 3.15Å
545I43.4Very low42.2Very low99 Ų99107.1 Ų107.151%0.50854%0.541SS..Hα-helixtrans-62.7-32.4-175.5-63.1173.1000112.1S542 R547 I548S542-I545 PolarHBondContact O-N 3.03Å; I545-R547 PolarHBondContact O-N 3.09Å; I545-I548 PolarHBondContact O-N 3.48Å
546N34.5Very low41Very low117 Ų117111.6 Ų111.663%0.62655%0.552SS**Hα-helixtrans-75.9-15.3-176.4-76.2-22.7000115.1V544V544-N546 VanDerWaalsContact C-N 3.28Å; V544-N546 PolarHBondContact O-N 3.02Å
547R41.8Very low40.2Very low206 Ų206115 Ų11578%0.77756%0.559SS**Hα-helixtrans-81.1-25.4173.6-77-174.5-179.8-175.70.2112.4V544 I545V544-R547 PolarHBondContact O-N 3.15Å; I545-R547 PolarHBondContact O-N 3.09Å
548I37.2Very low39.2Very low44 Ų44121.4 Ų121.423%0.22657%0.571CS.*Hα-helixtrans-71.3-31.7-172.4-60.8174.4000112.2I545 R550I545-I548 PolarHBondContact O-N 3.48Å; I548-R550 VanDerWaalsContact C-N 3.35Å; I548-R550 PolarHBondContact O-N 3.16Å
549E31.9Very low38.1Very low145 Ų145116.9 Ų116.968%0.67856%0.56SS**THydrogen-bonded Turntrans-72.4-23.3-176.6-68.6-171.2156.100114.1
550R31.7Very low37.1Very low210 Ų210120.9 Ų120.979%0.79258%0.583SS**THydrogen-bonded Turntrans-79.3-20-178.7-68-174-161.2164.25.2114.3I548 S553I548-R550 VanDerWaalsContact C-N 3.35Å; I548-R550 PolarHBondContact O-N 3.16Å; R550-S553 PolarHBondContact O-OG 3.2Å
551Y35.7Very low35.9Very low68 Ų68126.4 Ų126.427%0.26762%0.616SS.*THydrogen-bonded Turntrans-88.4-26.4-174.4-165.3-92.2000113.6F322 S553 T554 H555F322-Y551 HydrophobicContact CE2-CE2 4.47Å; Y551-S553 PolarHBondContact O-N 3.15Å; Y551-T554 PolarHBondContact O-N 3.24Å; Y551-T554 PolarHBondContact O-OG1 2.94Å; Y551-T554 VanDerWaalsContact O-OG1 3.07Å; Y551-H555 AromaticContact CZ-NE2 3.79Å; Y551-H555 PolarHBondContact OH-NE2 3.49Å
552R32.3Very low35.1Very low203 Ų203126.8 Ų126.877%0.76661%0.608SS**THydrogen-bonded Turntrans-59.9-12.3-178.1-80.7-175.3175.3173.2-1114.6
553S31.5Very low34.3Very low100 Ų100132.5 Ų132.570%0.69963%0.633SS**THydrogen-bonded Turntrans-96.46.2-174.2630000115.4R550 Y551R550-S553 PolarHBondContact O-OG 3.2Å; Y551-S553 PolarHBondContact O-N 3.15Å
554T30.4Very low33.6Very low81 Ų81134.9 Ų134.950%0.49764%0.636SS.*SBendtrans-117.4-10.5-166.756.60000116.4Y551Y551-T554 PolarHBondContact O-N 3.24Å; Y551-T554 PolarHBondContact O-OG1 2.94Å; Y551-T554 VanDerWaalsContact O-OG1 3.07Å
555H33Very low32.6Very low99 Ų99141.1 Ų141.146%0.45866%0.663SS.*  trans-12876.8-176.7-66.6-5000111.4Y551Y551-H555 AromaticContact CZ-NE2 3.79Å; Y551-H555 PolarHBondContact OH-NE2 3.49Å
556E26.1Very low31.9Very low190 Ų190143.7 Ų143.789%0.88867%0.673SS**  trans-117.193.4156.2-77.3-174.616900107.1
557H32.6Very low31.8Very low153 Ų153145.5 Ų145.571%0.70868%0.676SS**  trans-79.9126.2162.7-73.7-70.6000108.1H559H557-H559 PolarHBondContact O-N 3.42Å
558R26.8Very low31Very low237 Ų237141.1 Ų141.189%0.89467%0.668SS**  trans-66.6118.5-177.4-74.8178173.2176.2-2.7109.7V560R558-V560 PolarHBondContact O-N 3.5Å; R558-V560 VanDerWaalsContact O-N 3.16Å
559H25.4Very low30.6Very low153 Ų153148.6 Ų148.671%0.70870%0.702SS**  trans-59.7113.1153.2-79.5-75.6000107.9H557 V561H557-H559 PolarHBondContact O-N 3.42Å; H559-V561 PolarHBondContact O-N 3.11Å
560V29.3Very low30.5Very low111 Ų111148.9 Ų148.967%0.67371%0.705SS**  trans-77110.2162.3-176.70000105.6R558R558-V560 PolarHBondContact O-N 3.5Å; R558-V560 VanDerWaalsContact O-N 3.16Å
561V30.6Very low30.3Very low182 Ų182143.4 Ų143.4100%1.10370%0.697SS**  trans-78.40175.2176.40000109.9H559H559-V561 PolarHBondContact O-N 3.11Å

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