G4VJX4_SCHMA Loading...

Putative tropomodulin

AlphaFold DB , UniProt , Accession G4VJX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 357 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
1M45.1Very low62.3Low227 Ų227126.3 Ų126.3100%1.11867%0.667SS**  0107.70-67.7-154-79.600107.1N3M1-N3 PolarHBondContact O-N 2.97Å; M1-N3 VanDerWaalsContact O-N 3.13Å
2S51.5Low63Low119 Ų119124.1 Ų124.183%0.83266%0.663SS**  trans-76100.2175.4-154.60000106K4S2-K4 VanDerWaalsContact C-N 3.27Å; S2-K4 PolarHBondContact O-N 3.49Å
3N55Low63.5Low127 Ų127117.7 Ų117.768%0.67963%0.634SS**  trans-60.997.8171.2-74.5-15.8000106.2M1 L5M1-N3 PolarHBondContact O-N 2.97Å; M1-N3 VanDerWaalsContact O-N 3.13Å; N3-L5 VanDerWaalsContact C-N 3.35Å; N3-L5 PolarHBondContact O-N 3.09Å
4K61Low63.7Low185 Ų185114.2 Ų114.280%0.80461%0.608SS**  trans-62.9104.4173-83.8-176.9174.5-1790105.7S2 F6S2-K4 VanDerWaalsContact C-N 3.27Å; S2-K4 PolarHBondContact O-N 3.49Å; K4-F6 PolarHBondContact O-N 3.03Å
5L62.4Low63.9Low114 Ų114115.6 Ų115.660%0.59762%0.615SS**  trans-66.1117.2169.6-66.5168.9000106.3N3 K9N3-L5 VanDerWaalsContact C-N 3.35Å; N3-L5 PolarHBondContact O-N 3.09Å; L5-K9 CarbonylContact C-O 3.54Å; L5-K9 VanDerWaalsContact CA-O 3.25Å; L5-K9 WeakPolarHBondContact CA-O 3.39Å
6F57.3Low64Low122 Ų122117.5 Ų117.554%0.53563%0.626SS.*BIsolated β-bridgetrans-91.8122.1170.9-158.6-107000106K4 G8 K9 L11 Y14K4-F6 PolarHBondContact O-N 3.03Å; F6-G8 PolarHBondContact O-N 3.21Å; F6-K9 PolarHBondContact N-O 3.19Å; F6-K9 PolarHBondContact O-N 2.99Å; F6-L11 HydrophobicContact CB-CD1 4.2Å; F6-Y14 HydrophobicContact CB-CE2 4.05Å; F6-Y14 HydrophobicContact CD1-CE2 4.48Å; F6-Y14 WeakPolarHBondContact O-CE2 3.23Å; F6-Y14 PolarHBondContact O-OH 2.89Å
7F68Low64.2Low183 Ų183114.5 Ų114.580%0.80361%0.607SS**THydrogen-bonded Turntrans43.739.7-172.6-70.1-83.2000115.2K9F7-K9 VanDerWaalsContact C-N 3.28Å; F7-K9 PolarHBondContact O-N 3.35Å
8G73.8Confident64.6Low62 Ų62113.7 Ų113.764%0.63960%0.603SS**THydrogen-bonded Turntrans80.2-1.5176.400000115.6F6F6-G8 PolarHBondContact O-N 3.21Å
9K71.7Confident65Low97 Ų97114.1 Ų114.142%0.42260%0.604SS.*BIsolated β-bridgetrans-109.6153.9174.4-69.7-171.4-174.5-178.40111.5L5 F6 F7 S13 Y14 E17L5-K9 CarbonylContact C-O 3.54Å; L5-K9 VanDerWaalsContact CA-O 3.25Å; L5-K9 WeakPolarHBondContact CA-O 3.39Å; F6-K9 PolarHBondContact N-O 3.19Å; F6-K9 PolarHBondContact O-N 2.99Å; F7-K9 VanDerWaalsContact C-N 3.28Å; F7-K9 PolarHBondContact O-N 3.35Å; K9-S13 WeakPolarHBondContact CB-OG 3.41Å; K9-Y14 HydrophobicContact CB-CE2 3.67Å; K9-E17 IonicContact NZ-OE1 3.13Å; K9-E17 PolarHBondContact NZ-OE1 2.99Å
10A71Confident65.6Low36 Ų36114.3 Ų114.330%0.29861%0.606SS.*  trans-69.5144.6174.200000109.7T12 S13A10-T12 PolarHBondContact O-N 3.45Å; A10-T12 VanDerWaalsContact O-N 3.12Å; A10-S13 PolarHBondContact O-N 3.42Å; A10-S13 PolarHBondContact O-OG 2.93Å
11L68Low66.3Low117 Ų117113.8 Ų113.861%0.61360%0.6SS**G310 helixtrans-55.3-36.7-177.5-154.376.1000112.3F6 S13 Y14F6-L11 HydrophobicContact CB-CD1 4.2Å; L11-S13 VanDerWaalsContact C-N 3.25Å; L11-S13 PolarHBondContact O-N 3.35Å; L11-Y14 PolarHBondContact O-N 3.46Å; L11-Y14 VanDerWaalsContact O-N 3.14Å
12T71.3Confident67.9Low100 Ų100107.2 Ų107.261%0.61357%0.569SS**G310 helixtrans-64.8-22.3178.354.70000114.2A10 Y14 D15A10-T12 PolarHBondContact O-N 3.45Å; A10-T12 VanDerWaalsContact O-N 3.12Å; T12-Y14 VanDerWaalsContact C-N 3.27Å; T12-D15 PolarHBondContact O-N 3.1Å
13S68.9Low69.1Low41 Ų41104.5 Ų104.529%0.28755%0.545SS..G310 helixtrans-79.8-11.617762.40000113.1K9 A10 L11K9-S13 WeakPolarHBondContact CB-OG 3.41Å; A10-S13 PolarHBondContact O-N 3.42Å; A10-S13 PolarHBondContact O-OG 2.93Å; L11-S13 VanDerWaalsContact C-N 3.25Å; L11-S13 PolarHBondContact O-N 3.35Å
14Y66.2Low70.3Confident69 Ų69102.9 Ų102.927%0.27154%0.543SS..THydrogen-bonded Turntrans-84-20.5172.4-68.8-79.5000112.3F6 K9 L11 T12 D16 E17F6-Y14 HydrophobicContact CB-CE2 4.05Å; F6-Y14 HydrophobicContact CD1-CE2 4.48Å; F6-Y14 WeakPolarHBondContact O-CE2 3.23Å; F6-Y14 PolarHBondContact O-OH 2.89Å; K9-Y14 HydrophobicContact CB-CE2 3.67Å; L11-Y14 PolarHBondContact O-N 3.46Å; L11-Y14 VanDerWaalsContact O-N 3.14Å; T12-Y14 VanDerWaalsContact C-N 3.27Å; Y14-D16 PolarHBondContact O-N 2.97Å; Y14-E17 PolarHBondContact O-N 2.82Å
15D67.5Low71.5Confident135 Ų135101 Ų10172%0.72254%0.535SS*.THydrogen-bonded Turntrans-65.8-25174.2-67.5-29.4000111.6T12T12-D15 PolarHBondContact O-N 3.1Å
16D65.4Low72.6Confident146 Ų14698.3 Ų98.378%0.78152%0.521SS*.THydrogen-bonded Turntrans-92-6.2178.7-64.4-36.2000113.4Y14Y14-D16 PolarHBondContact O-N 2.97Å
17E67.1Low74.1Confident67 Ų6795.7 Ų95.731%0.31352%0.515SS..SBendtrans-78.2126.9175.8-67.4-158.8179.700109.6K9 Y14 I19 L22K9-E17 IonicContact NZ-OE1 3.13Å; K9-E17 PolarHBondContact NZ-OE1 2.99Å; Y14-E17 PolarHBondContact O-N 2.82Å; E17-I19 PolarHBondContact O-N 2.62Å; E17-L22 HydrophobicContact CB-CD1 4.19Å
18D71.2Confident74.7Confident100 Ų10092.2 Ų92.254%0.53551%0.511SS..  trans-66.8102-176.8-156.8-16000109.4D20 E21 L22D18-D20 PolarHBondContact O-N 3.28Å; D18-D20 VanDerWaalsContact O-N 3.16Å; D18-E21 HydrophobicContact CB-CB 4.08Å; D18-E21 WeakPolarHBondContact O-CB 3.37Å; D18-E21 PolarHBondContact O-N 2.82Å; D18-L22 PolarHBondContact O-N 3.15Å
19I73Confident75Confident120 Ų12096.1 Ų96.162%0.61551%0.513SS*.Hα-helixtrans-55.1-35.7-176.3-62.8174.3000110E17 E21 L22 L23E17-I19 PolarHBondContact O-N 2.62Å; I19-E21 VanDerWaalsContact C-N 3.35Å; I19-E21 PolarHBondContact O-N 3.03Å; I19-L22 WeakPolarHBondContact O-CB 3.38Å; I19-L22 PolarHBondContact O-N 2.83Å; I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 HydrophobicContact CG2-CG 4.26Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.17Å
20D75.8Confident75.5Confident119 Ų11995.7 Ų95.764%0.63651%0.512SS*.Hα-helixtrans-66.4-35.4178.8-69.7-24.2000112D18 S24D18-D20 PolarHBondContact O-N 3.28Å; D18-D20 VanDerWaalsContact O-N 3.16Å; D20-S24 WeakPolarHBondContact O-CB 3.45Å; D20-S24 PolarHBondContact O-N 3.31Å
21E80.9Confident76Confident103 Ų10397.5 Ų97.548%0.48152%0.516SS..Hα-helixtrans-68.1-40.7175.1-164.1-167.3149.800111D18 I19 S24 K25D18-E21 HydrophobicContact CB-CB 4.08Å; D18-E21 WeakPolarHBondContact O-CB 3.37Å; D18-E21 PolarHBondContact O-N 2.82Å; I19-E21 VanDerWaalsContact C-N 3.35Å; I19-E21 PolarHBondContact O-N 3.03Å; E21-S24 PolarHBondContact O-N 3.05Å; E21-S24 PolarHBondContact O-OG 3.45Å; E21-K25 WeakPolarHBondContact O-CG 3.26Å; E21-K25 PolarHBondContact O-N 3.2Å; E21-K25 WeakPolarHBondContact OE1-CE 3.26Å; E21-K25 IonicContact OE1-NZ 2.69Å; E21-K25 PolarHBondContact OE1-NZ 3.15Å
22L78.1Confident76.3Confident89 Ų8998.2 Ų98.247%0.46652%0.516SS..Hα-helixtrans-62.7-46.5174.8-101.7139.7000111.8E17 D18 I19 S24 K25E17-L22 HydrophobicContact CB-CD1 4.19Å; D18-L22 PolarHBondContact O-N 3.15Å; I19-L22 WeakPolarHBondContact O-CB 3.38Å; I19-L22 PolarHBondContact O-N 2.83Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 2.93Å; L22-K25 PolarHBondContact O-N 3.4Å
23L76.8Confident76.4Confident63 Ų6399.4 Ų99.433%0.3352%0.515SS..Hα-helixtrans-62.3-36.2176.6-70.1175.3000111.7I19 K25 L26 L34I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 HydrophobicContact CG2-CG 4.26Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.17Å; L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 3.32Å; L23-L26 HydrophobicContact CD2-CD1 4.19Å; L23-L26 PolarHBondContact O-N 3.4Å; L23-L34 HydrophobicContact CD2-CD2 4.06Å
24S80.9Confident76.8Confident93 Ų93100.8 Ų100.865%0.6552%0.519SS*.Hα-helixtrans-67.5-22.517878.90000114.4D20 E21 L22D20-S24 WeakPolarHBondContact O-CB 3.45Å; D20-S24 PolarHBondContact O-N 3.31Å; E21-S24 PolarHBondContact O-N 3.05Å; E21-S24 PolarHBondContact O-OG 3.45Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 2.93Å
25K86.1Confident77Confident144 Ų144101.7 Ų101.763%0.62653%0.529SS*.Hα-helixtrans-84.4-16.2178.4-71.8171.6-174.21620113.1E21 L22 L23E21-K25 WeakPolarHBondContact O-CG 3.26Å; E21-K25 PolarHBondContact O-N 3.2Å; E21-K25 WeakPolarHBondContact OE1-CE 3.26Å; E21-K25 IonicContact OE1-NZ 2.69Å; E21-K25 PolarHBondContact OE1-NZ 3.15Å; L22-K25 PolarHBondContact O-N 3.4Å; L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 3.32Å
26L85.6Confident77Confident58 Ų5899.7 Ų99.730%0.30452%0.518SS..SBendtrans-78141.5179.4-69.9169.1000110.6L23 E30 L31 L34L23-L26 HydrophobicContact CD2-CD1 4.19Å; L23-L26 PolarHBondContact O-N 3.4Å; L26-E30 HydrophobicContact CB-CB 4.32Å; L26-E30 HydrophobicContact CD2-CB 3.93Å; L26-L31 HydrophobicContact CB-CD1 3.79Å; L26-L31 HydrophobicContact CB-CG 4.37Å; L26-L34 HydrophobicContact CD1-CD2 3.99Å
27T88.3Confident77.3Confident68 Ų6898.6 Ų98.642%0.41751%0.512SS..  trans-70157170.259.80000110.4E29 E30 L31T27-E29 PolarHBondContact O-N 3.4Å; T27-E30 WeakPolarHBondContact CB-OE2 3.39Å; T27-E30 PolarHBondContact N-OE2 3.24Å; T27-E30 PolarHBondContact O-N 3.49Å; T27-E30 VanDerWaalsContact O-N 3.11Å; T27-E30 VanDerWaalsContact OG1-CD 3.23Å; T27-E30 WeakPolarHBondContact OG1-CG 3.39Å; T27-E30 PolarHBondContact OG1-N 3.42Å; T27-E30 PolarHBondContact OG1-OE2 3.32Å; T27-L31 PolarHBondContact O-N 2.8Å
28P81.7Confident77.3Confident109 Ų109102.1 Ų102.171%0.70853%0.526SS*.Hα-helixtrans-57.3-32.5177.421.3-33000113.2E32P28-E32 PolarHBondContact O-N 2.88Å
29E79.7Confident76.9Confident145 Ų145101.9 Ų101.968%0.67853%0.525SS*.Hα-helixtrans-69.3-40.4176.1-64.9-177.6178.600112.2T27 E32 Q33T27-E29 PolarHBondContact O-N 3.4Å; E29-E32 PolarHBondContact O-N 3.25Å; E29-Q33 WeakPolarHBondContact O-CG 3.23Å; E29-Q33 PolarHBondContact O-N 3.47Å
30E82.6Confident76.2Confident87 Ų87100.5 Ų100.541%0.40752%0.524SS..Hα-helixtrans-69.9-34175.8-69.2165.8141.100111.9L26 T27 Q33 L34L26-E30 HydrophobicContact CB-CB 4.32Å; L26-E30 HydrophobicContact CD2-CB 3.93Å; T27-E30 WeakPolarHBondContact CB-OE2 3.39Å; T27-E30 PolarHBondContact N-OE2 3.24Å; T27-E30 PolarHBondContact O-N 3.49Å; T27-E30 VanDerWaalsContact O-N 3.11Å; T27-E30 VanDerWaalsContact OG1-CD 3.23Å; T27-E30 WeakPolarHBondContact OG1-CG 3.39Å; T27-E30 PolarHBondContact OG1-N 3.42Å; T27-E30 PolarHBondContact OG1-OE2 3.32Å; E30-Q33 PolarHBondContact O-N 2.98Å; E30-L34 VanDerWaalsContact O-CB 3.26Å; E30-L34 WeakPolarHBondContact O-CB 3.48Å; E30-L34 PolarHBondContact O-N 3.49Å
31L79.6Confident75.6Confident74 Ų74100.2 Ų100.239%0.38752%0.523SS..Hα-helixtrans-65.4-39.5173.3-112128000112L26 T27 L34 N35L26-L31 HydrophobicContact CB-CD1 3.79Å; L26-L31 HydrophobicContact CB-CG 4.37Å; T27-L31 PolarHBondContact O-N 2.8Å; L31-L34 PolarHBondContact O-N 2.87Å; L31-N35 WeakPolarHBondContact O-CB 3.44Å; L31-N35 PolarHBondContact O-N 3.22Å
32E74.4Confident75Confident132 Ų13297.3 Ų97.362%0.61751%0.51SS*.Hα-helixtrans-65.1-46.9174.7-172.1172.5-15400111P28 E29 L34 N35 D36P28-E32 PolarHBondContact O-N 2.88Å; E29-E32 PolarHBondContact O-N 3.25Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3Å; E32-N35 WeakPolarHBondContact O-CB 3.33Å; E32-N35 PolarHBondContact O-N 3.19Å; E32-N35 VanDerWaalsContact O-N 3.16Å; E32-D36 PolarHBondContact O-N 3.29Å
33Q74.6Confident74.6Confident125 Ų12598.1 Ų98.158%0.58452%0.524SS*.Hα-helixtrans-59.9-40.6173.6-74.1179.10.300112.6E29 E30 N35 D36 D37E29-Q33 WeakPolarHBondContact O-CG 3.23Å; E29-Q33 PolarHBondContact O-N 3.47Å; E30-Q33 PolarHBondContact O-N 2.98Å; Q33-N35 VanDerWaalsContact C-N 3.31Å; Q33-N35 PolarHBondContact O-N 2.83Å; Q33-D36 WeakPolarHBondContact O-CB 3.17Å; Q33-D36 PolarHBondContact O-N 2.86Å; Q33-D37 PolarHBondContact O-N 3.29Å; Q33-D37 VanDerWaalsContact O-N 3.09Å
34L76.4Confident74.4Confident71 Ų71102.7 Ų102.737%0.37255%0.548SS..Hα-helixtrans-64.7-37.8177.2-174.264.8000111.4L23 L26 E30 L31 E32 D36 D37 F38L23-L34 HydrophobicContact CD2-CD2 4.06Å; L26-L34 HydrophobicContact CD1-CD2 3.99Å; E30-L34 VanDerWaalsContact O-CB 3.26Å; E30-L34 WeakPolarHBondContact O-CB 3.48Å; E30-L34 PolarHBondContact O-N 3.49Å; L31-L34 PolarHBondContact O-N 2.87Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3Å; L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D37 PolarHBondContact O-N 2.7Å; L34-F38 WeakPolarHBondContact O-CD2 3.39Å; L34-F38 PolarHBondContact O-N 3.09Å
35N71.7Confident73.8Confident88 Ų88100.8 Ų100.847%0.47153%0.53SS..Hα-helixtrans-65.2-35173.7-175.961.2000112L31 E32 Q33 D37 F38L31-N35 WeakPolarHBondContact O-CB 3.44Å; L31-N35 PolarHBondContact O-N 3.22Å; E32-N35 WeakPolarHBondContact O-CB 3.33Å; E32-N35 PolarHBondContact O-N 3.19Å; E32-N35 VanDerWaalsContact O-N 3.16Å; Q33-N35 VanDerWaalsContact C-N 3.31Å; Q33-N35 PolarHBondContact O-N 2.83Å; N35-D37 VanDerWaalsContact C-N 3.33Å; N35-F38 PolarHBondContact O-N 2.92Å
36D67.4Low73.1Confident93 Ų9396.7 Ų96.750%0.49752%0.518SS..Hα-helixtrans-72.7-21.6176.3-72.9-15.2000114.3E32 Q33 L34 R52E32-D36 PolarHBondContact O-N 3.29Å; Q33-D36 WeakPolarHBondContact O-CB 3.17Å; Q33-D36 PolarHBondContact O-N 2.86Å; L34-D36 VanDerWaalsContact C-N 3.32Å; D36-R52 PolarHBondContact O-NH2 3.12Å; D36-R52 VanDerWaalsContact O-NH2 3.14Å
37D70.2Confident72.4Confident123 Ų12398.5 Ų98.566%0.65853%0.533SS*.Hα-helixtrans-88.6-14173.5-81.2-19.2000112.8Q33 L34 N35 R52Q33-D37 PolarHBondContact O-N 3.29Å; Q33-D37 VanDerWaalsContact O-N 3.09Å; L34-D37 PolarHBondContact O-N 2.7Å; N35-D37 VanDerWaalsContact C-N 3.33Å; D37-R52 IonicContact OD1-NH2 3.13Å; D37-R52 PolarHBondContact OD1-NH2 3.47Å
38F68.3Low71.5Confident140 Ų14099.6 Ų99.661%0.61454%0.543SS*.SBendtrans-75.3136.5169.7-102.7-96.5000110.9L34 N35L34-F38 WeakPolarHBondContact O-CD2 3.39Å; L34-F38 PolarHBondContact O-N 3.09Å; N35-F38 PolarHBondContact O-N 2.92Å
39D62.6Low70.9Confident95 Ų9599.2 Ų99.251%0.50853%0.532SS..  trans-12.1116.2-173.9-166.8-4.7000116.7D41 N42D39-D41 PolarHBondContact O-N 2.82Å; D39-D41 PolarHBondContact OD1-N 3.21Å; D39-N42 WeakPolarHBondContact O-CB 3.43Å; D39-N42 PolarHBondContact O-N 2.89Å
40P59.2Low70.4Confident91 Ų9195.9 Ų95.959%0.59151%0.513SS*.THydrogen-bonded Turntrans-58.1-18.8174.225.9-35.2000113.2R50P40-R50 WeakPolarHBondContact O-CB 3.47Å
41D62.2Low69.6Low114 Ų11495.2 Ų95.261%0.6152%0.517SS*.THydrogen-bonded Turntrans-95.418.5176.2-78.5-28.3000114.1D39 S43D39-D41 PolarHBondContact O-N 2.82Å; D39-D41 PolarHBondContact OD1-N 3.21Å; D41-S43 PolarHBondContact O-N 3.39Å
42N68.2Low68.7Low41 Ų41100.9 Ų100.922%0.21953%0.533CS..  trans-49.2109.5178.6-172.7-12.1000112.1D39 L44 L45 R50D39-N42 WeakPolarHBondContact O-CB 3.43Å; D39-N42 PolarHBondContact O-N 2.89Å; N42-L44 PolarHBondContact O-N 3.14Å; N42-L44 WeakPolarHBondContact OD1-CB 3.5Å; N42-L44 PolarHBondContact OD1-N 2.99Å; N42-L44 VanDerWaalsContact OD1-N 3.08Å; N42-L45 PolarHBondContact O-N 3.36Å; N42-R50 PolarHBondContact O-NE 3.31Å; N42-R50 PolarHBondContact O-NH2 3.31Å
43S69.6Low68.1Low107 Ų107100.6 Ų100.675%0.74854%0.536SS*.THydrogen-bonded Turntrans-67.4-19.6-173.4-59.50000113.7D41 L45D41-S43 PolarHBondContact O-N 3.39Å; S43-L45 VanDerWaalsContact C-N 3.35Å
44L72.6Confident67.6Low159 Ų159101.4 Ų101.483%0.83254%0.54SS*.THydrogen-bonded Turntrans-76.5-22.6178.9-72147.4000112.6N42N42-L44 PolarHBondContact O-N 3.14Å; N42-L44 WeakPolarHBondContact OD1-CB 3.5Å; N42-L44 PolarHBondContact OD1-N 2.99Å; N42-L44 VanDerWaalsContact OD1-N 3.08Å
45L68.6Low67.2Low53 Ų53102.3 Ų102.328%0.27755%0.549SS..SBendtrans-96.8139.5179.1-64.4174.8000110.8N42 S43 Q49 R50N42-L45 PolarHBondContact O-N 3.36Å; S43-L45 VanDerWaalsContact C-N 3.35Å; L45-Q49 HydrophobicContact CB-CB 4.37Å; L45-R50 HydrophobicContact CB-CG 4.22Å; L45-R50 VanDerWaalsContact O-CZ 3.29Å; L45-R50 PolarHBondContact O-NE 3.28Å; L45-R50 PolarHBondContact O-NH2 2.83Å
46P70.8Confident67.2Low58 Ų58105.1 Ų105.138%0.37757%0.569SS.*  trans-62.8151.1171.525.8-32.6000110.7S48 Q49 R50P46-S48 PolarHBondContact O-N 3.39Å; P46-Q49 HydrophobicContact CG-CB 4.17Å; P46-Q49 HydrophobicContact CG-CG 3.93Å; P46-Q49 PolarHBondContact O-N 3.12Å; P46-R50 PolarHBondContact O-N 2.97Å
47P71.6Confident67.7Low95 Ų95108.7 Ų108.762%0.61758%0.58SS**Hα-helixtrans-52.3-32.9-176-28.734.9000114.6Q49 R50P47-Q49 PolarHBondContact O-N 3.27Å; P47-R50 PolarHBondContact O-N 3.4Å
48S69.7Low68.1Low91 Ų91108.3 Ų108.364%0.63658%0.582SS**Hα-helixtrans-66.5-22.717859.10000114.2P46P46-S48 PolarHBondContact O-N 3.39Å
49Q68.5Low68.4Low101 Ų101107.8 Ų107.847%0.47259%0.593SS.*Hα-helixtrans-98.2-6.6178.9-68.9178-0.500112.6L45 P46 P47L45-Q49 HydrophobicContact CB-CB 4.37Å; P46-Q49 HydrophobicContact CG-CB 4.17Å; P46-Q49 HydrophobicContact CG-CG 3.93Å; P46-Q49 PolarHBondContact O-N 3.12Å; P47-Q49 PolarHBondContact O-N 3.27Å
50R69.3Low68.9Low76 Ų76109.7 Ų109.729%0.28761%0.608SS.*Hα-helixtrans-82-23.1176.5-64-178.3-163.3-169.6-1.4112.8P40 N42 L45 P46 P47P40-R50 WeakPolarHBondContact O-CB 3.47Å; N42-R50 PolarHBondContact O-NE 3.31Å; N42-R50 PolarHBondContact O-NH2 3.31Å; L45-R50 HydrophobicContact CB-CG 4.22Å; L45-R50 VanDerWaalsContact O-CZ 3.29Å; L45-R50 PolarHBondContact O-NE 3.28Å; L45-R50 PolarHBondContact O-NH2 2.83Å; P46-R50 PolarHBondContact O-N 2.97Å; P47-R50 PolarHBondContact O-N 3.4Å
51C65.5Low69.9Low72 Ų72108 Ų10849%0.48661%0.607SS.*SBendtrans-77.4126.9179.2-61.50000110.5D53C51-D53 WeakPolarHBondContact CB-OD1 3.48Å; C51-D53 PolarHBondContact O-N 2.94Å; C51-D53 VanDerWaalsContact O-N 3.1Å
52R61.9Low70.9Confident193 Ų193108.5 Ų108.573%0.72862%0.617SS**SBendtrans-61-14.3179.3-73.9-177.4166.4-164.1-12.7114.6D36 D37 Q54D36-R52 PolarHBondContact O-NH2 3.12Å; D36-R52 VanDerWaalsContact O-NH2 3.14Å; D37-R52 IonicContact OD1-NH2 3.13Å; D37-R52 PolarHBondContact OD1-NH2 3.47Å; R52-Q54 VanDerWaalsContact C-N 3.28Å; R52-Q54 PolarHBondContact O-N 3.18Å
53D62.2Low71.6Confident127 Ų127114.4 Ų114.468%0.67964%0.641SS**  trans-90.532.8-168.464.7-27.5000114.2C51 T55C51-D53 WeakPolarHBondContact CB-OD1 3.48Å; C51-D53 PolarHBondContact O-N 2.94Å; C51-D53 VanDerWaalsContact O-N 3.1Å; D53-T55 PolarHBondContact O-N 3.4Å
54Q63.9Low72.4Confident141 Ų141113.5 Ų113.566%0.65963%0.628SS**  trans-71.372.6164.6-65.1-155.954.700110R52 T56R52-Q54 VanDerWaalsContact C-N 3.28Å; R52-Q54 PolarHBondContact O-N 3.18Å; Q54-T56 PolarHBondContact O-N 3.41Å
55T66.5Low73.3Confident91 Ų91113.6 Ų113.656%0.55862%0.617SS**  trans-65.5123.6171.2170.10000109.1D53 K57D53-T55 PolarHBondContact O-N 3.4Å; T55-K57 PolarHBondContact O-N 3.04Å; T55-K57 WeakPolarHBondContact OG1-CB 3.49Å; T55-K57 VanDerWaalsContact OG1-CG 3.23Å; T55-K57 WeakPolarHBondContact OG1-CG 3.39Å; T55-K57 PolarHBondContact OG1-N 3.22Å; T55-K57 VanDerWaalsContact OG1-N 3.14Å
56T72Confident74.3Confident147 Ų147116.8 Ų116.890%0.90263%0.63SS**  trans-71.6-1.9170.452.50000112.9Q54 T58Q54-T56 PolarHBondContact O-N 3.41Å; T56-T58 PolarHBondContact O-N 3.4Å
57K78.2Confident75.1Confident168 Ų168120.8 Ų120.873%0.7364%0.642SS**PPolyproline II helixtrans-68.9127.9178.1-58.9174.6-177173.90110.5T55T55-K57 PolarHBondContact O-N 3.04Å; T55-K57 WeakPolarHBondContact OG1-CB 3.49Å; T55-K57 VanDerWaalsContact OG1-CG 3.23Å; T55-K57 WeakPolarHBondContact OG1-CG 3.39Å; T55-K57 PolarHBondContact OG1-N 3.22Å; T55-K57 VanDerWaalsContact OG1-N 3.14Å
58T78.8Confident75.9Confident114 Ų114119.9 Ų119.970%0.69963%0.632SS**PPolyproline II helixtrans-60.7147170.552.40000111.2T56 T60T56-T58 PolarHBondContact O-N 3.4Å; T58-T60 PolarHBondContact O-N 2.74Å; T58-T60 VanDerWaalsContact O-N 3.1Å
59P75.4Confident76.9Confident130 Ų130119.3 Ų119.384%0.84462%0.621SS**PPolyproline II helixtrans-56.1116.4177.2-22.531.8000111.6G61P59-G61 PolarHBondContact O-N 3.2Å
60T71.8Confident78.1Confident134 Ų134122.4 Ų122.482%0.82263%0.628SS**  trans-77.920.1-175.33.60000115.1T58T58-T60 PolarHBondContact O-N 2.74Å; T58-T60 VanDerWaalsContact O-N 3.1Å
61G80.6Confident79.2Confident55 Ų55125.1 Ų125.157%0.56764%0.639SS**SBendtrans83-170.4-175.600000113.6P59P59-G61 PolarHBondContact O-N 3.2Å
62P83.2Confident80.5Confident126 Ų126125.9 Ų125.982%0.81864%0.638SS**SBendtrans-62.9148.5-178.925.7-32.8000111.8D64P62-D64 PolarHBondContact O-N 3.1Å
63F82.6Confident81.9Confident165 Ų165120.7 Ų120.772%0.72462%0.624SS**  trans-62.4116179.6174.6-103.8000111.2R65 L68F63-R65 HydrophobicContact CE1-CB 3.91Å; F63-R65 HydrophobicContact CZ-CB 4.15Å; F63-L68 HydrophobicContact CE2-CD2 3.79Å; F63-L68 HydrophobicContact CZ-CD2 4.29Å
64D87.6Confident83.5Confident87 Ų87121.2 Ų121.247%0.46562%0.622SS.*  trans-112106.4172.2-178.3-10.3000109.7P62 E66 K67 L68P62-D64 PolarHBondContact O-N 3.1Å; D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 3.45Å; D64-E66 PolarHBondContact OD1-N 2.91Å; D64-K67 HydrophobicContact CB-CB 3.99Å; D64-K67 PolarHBondContact O-N 3.37Å; D64-K67 PolarHBondContact OD1-N 3.42Å; D64-L68 PolarHBondContact O-N 2.96Å; D64-L68 VanDerWaalsContact O-N 3.1Å
65R89.5Confident84.8Confident161 Ų161119.1 Ų119.161%0.60861%0.611SS**Hα-helixtrans-61.2-38.4-178.4-177.1179.9177.6-81.9-1112.3F63 L68 L69F63-R65 HydrophobicContact CE1-CB 3.91Å; F63-R65 HydrophobicContact CZ-CB 4.15Å; R65-L68 PolarHBondContact O-N 3.15Å; R65-L69 PolarHBondContact O-N 3.26Å
66E90.9Very high85.9Confident120 Ų120118.4 Ų118.456%0.56161%0.614SS**Hα-helixtrans-69.3-42.6-177.3-70.9-166.2-175.700111.1D64 L68 L69 R70D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 3.45Å; D64-E66 PolarHBondContact OD1-N 2.91Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.86Å; E66-L69 PolarHBondContact O-N 3.38Å; E66-R70 WeakPolarHBondContact O-CG 3.37Å; E66-R70 PolarHBondContact O-N 3.45Å; E66-R70 IonicContact OE2-NH2 3.17Å; E66-R70 PolarHBondContact OE2-NH2 2.92Å
67K88Confident86.7Confident142 Ų142119.6 Ų119.662%0.61761%0.607SS**Hα-helixtrans-60.6-43.5175.4-171.1177.7-179.3-179.60111.5D64 R70 Y71D64-K67 HydrophobicContact CB-CB 3.99Å; D64-K67 PolarHBondContact O-N 3.37Å; D64-K67 PolarHBondContact OD1-N 3.42Å; K67-R70 PolarHBondContact O-N 2.98Å; K67-Y71 WeakPolarHBondContact O-CB 3.45Å; K67-Y71 PolarHBondContact O-N 3.41Å
68L87.9Confident87.4Confident76 Ų76115.4 Ų115.440%0.39860%0.603SS.*Hα-helixtrans-61.4-44.8175178.461.9000111.5F63 D64 R65 E66 R70 Y71 L72F63-L68 HydrophobicContact CE2-CD2 3.79Å; F63-L68 HydrophobicContact CZ-CD2 4.29Å; D64-L68 PolarHBondContact O-N 2.96Å; D64-L68 VanDerWaalsContact O-N 3.1Å; R65-L68 PolarHBondContact O-N 3.15Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.86Å; L68-R70 VanDerWaalsContact C-N 3.35Å; L68-R70 PolarHBondContact O-N 2.9Å; L68-Y71 PolarHBondContact O-N 3.47Å; L68-L72 HydrophobicContact CD1-CD1 4.08Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.96Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 3.14Å
69L90.7Very high87.8Confident79 Ų79115.8 Ų115.841%0.41460%0.598SS.*Hα-helixtrans-60.2-45.7178.8-129.389.7000111.5R65 E66 L72 I73R65-L69 PolarHBondContact O-N 3.26Å; E66-L69 PolarHBondContact O-N 3.38Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-I73 WeakPolarHBondContact O-CD1 3.27Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.25Å; L69-I73 PolarHBondContact O-N 3.38Å
70R94Very high88.1Confident167 Ų167118.8 Ų118.863%0.6360%0.597SS**Hα-helixtrans-61.8-45.3178.1-69.7178.2-165.2175.310.2111.4E66 K67 L68 L72 I73 E74E66-R70 WeakPolarHBondContact O-CG 3.37Å; E66-R70 PolarHBondContact O-N 3.45Å; E66-R70 IonicContact OE2-NH2 3.17Å; E66-R70 PolarHBondContact OE2-NH2 2.92Å; K67-R70 PolarHBondContact O-N 2.98Å; L68-R70 VanDerWaalsContact C-N 3.35Å; L68-R70 PolarHBondContact O-N 2.9Å; R70-L72 PolarHBondContact O-N 3.23Å; R70-I73 PolarHBondContact O-N 2.94Å; R70-E74 WeakPolarHBondContact O-CB 3.29Å; R70-E74 PolarHBondContact O-N 3.44Å
71Y91.3Very high88.4Confident132 Ų132119.8 Ų119.852%0.51860%0.597SS.*Hα-helixtrans-59.6-44.9175.7172.3-100000112.2K67 L68 E74 K75K67-Y71 WeakPolarHBondContact O-CB 3.45Å; K67-Y71 PolarHBondContact O-N 3.41Å; L68-Y71 PolarHBondContact O-N 3.47Å; Y71-E74 PolarHBondContact O-N 3.1Å; Y71-K75 HydrophobicContact CE1-CD 4.2Å; Y71-K75 VanDerWaalsContact O-CB 3.26Å; Y71-K75 WeakPolarHBondContact O-CB 3.29Å; Y71-K75 PolarHBondContact O-N 3.48Å
72L92.8Very high88.3Confident89 Ų89127.6 Ų127.647%0.46661%0.61SS.*Hα-helixtrans-65-40.1178.8-71173.1000111.9L68 L69 R70 A76L68-L72 HydrophobicContact CD1-CD1 4.08Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.96Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 3.14Å; L69-L72 PolarHBondContact O-N 3.33Å; R70-L72 PolarHBondContact O-N 3.23Å; L72-A76 WeakPolarHBondContact O-CB 3.25Å; L72-A76 PolarHBondContact O-N 3.35Å
73I92.6Very high88.1Confident84 Ų84130.6 Ų130.643%0.43161%0.613SS.*Hα-helixtrans-64.6-44.4175.8-69.1164.5000110.7L69 R70 K77L69-I73 WeakPolarHBondContact O-CD1 3.27Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.25Å; L69-I73 PolarHBondContact O-N 3.38Å; R70-I73 PolarHBondContact O-N 2.94Å; I73-K77 HydrophobicContact CG2-CD 4.16Å; I73-K77 WeakPolarHBondContact O-CB 3.21Å; I73-K77 VanDerWaalsContact O-CG 3.25Å; I73-K77 WeakPolarHBondContact O-CG 3.24Å; I73-K77 PolarHBondContact O-N 3.45Å
74E94.3Very high87.6Confident137 Ų137128.3 Ų128.364%0.6461%0.605SS**Hα-helixtrans-66.6-45179.5-171.8176.2178.100111.4R70 Y71 K77 A78R70-E74 WeakPolarHBondContact O-CB 3.29Å; R70-E74 PolarHBondContact O-N 3.44Å; Y71-E74 PolarHBondContact O-N 3.1Å; E74-K77 PolarHBondContact O-N 2.79Å; E74-A78 WeakPolarHBondContact O-CB 3.48Å; E74-A78 PolarHBondContact O-N 2.86Å
75K92.2Very high87.2Confident98 Ų98129.2 Ų129.243%0.42662%0.624SS.*Hα-helixtrans-60.4-48.2175-172.5-179.2178.1-174.60111.2Y71 K77 A78 E79Y71-K75 HydrophobicContact CE1-CD 4.2Å; Y71-K75 VanDerWaalsContact O-CB 3.26Å; Y71-K75 WeakPolarHBondContact O-CB 3.29Å; Y71-K75 PolarHBondContact O-N 3.48Å; K75-K77 PolarHBondContact O-N 3.26Å; K75-A78 PolarHBondContact O-N 3.09Å; K75-A78 VanDerWaalsContact O-N 3.08Å; K75-E79 WeakPolarHBondContact CE-OE2 3.41Å; K75-E79 WeakPolarHBondContact O-CB 3.39Å; K75-E79 PolarHBondContact O-N 2.88Å
76A88.6Confident86.6Confident75 Ų75127.1 Ų127.162%0.6263%0.629SS**Hα-helixtrans-62.8-28.7178.400000113.1L72L72-A76 WeakPolarHBondContact O-CB 3.25Å; L72-A76 PolarHBondContact O-N 3.35Å
77K89.8Confident85.8Confident173 Ų173126.6 Ų126.675%0.75264%0.636SS**Hα-helixtrans-78.1-31.1173.4-75.2174.8-179.3-178.20113.3I73 E74 K75I73-K77 HydrophobicContact CG2-CD 4.16Å; I73-K77 WeakPolarHBondContact O-CB 3.21Å; I73-K77 VanDerWaalsContact O-CG 3.25Å; I73-K77 WeakPolarHBondContact O-CG 3.24Å; I73-K77 PolarHBondContact O-N 3.45Å; E74-K77 PolarHBondContact O-N 2.79Å; K75-K77 PolarHBondContact O-N 3.26Å
78A91.9Very high85.2Confident79 Ų79127.7 Ų127.765%0.65364%0.638SS**Hα-helixtrans-86.9-27.9-177.800000112.9E74 K75 K80E74-A78 WeakPolarHBondContact O-CB 3.48Å; E74-A78 PolarHBondContact O-N 2.86Å; K75-A78 PolarHBondContact O-N 3.09Å; K75-A78 VanDerWaalsContact O-N 3.08Å; A78-K80 PolarHBondContact O-N 3.3Å
79E87.8Confident84.7Confident123 Ų123130 Ų13058%0.57565%0.646SS**SBendtrans-63.2117.9175.6-163.1125.1-152.600108.6K75K75-E79 WeakPolarHBondContact CE-OE2 3.41Å; K75-E79 WeakPolarHBondContact O-CB 3.39Å; K75-E79 PolarHBondContact O-N 2.88Å
80K82.7Confident83.7Confident192 Ų192134.8 Ų134.884%0.83566%0.664SS**PPolyproline II helixtrans-68.4140.1176.8-77.3-178.8175.8178.80108.9A78 W82A78-K80 PolarHBondContact O-N 3.3Å; K80-W82 PolarHBondContact O-N 3.21Å
81D77.6Confident82.7Confident155 Ų155133.6 Ų133.683%0.82966%0.663SS**PPolyproline II helixtrans-53.3133.4166.6-72.3-21.2000108.8
82W77.9Confident81.5Confident220 Ų220135.6 Ų135.683%0.83368%0.675SS**PPolyproline II helixtrans-60.3146.6172.552.471.6000109.4K80 E84K80-W82 PolarHBondContact O-N 3.21Å; W82-E84 PolarHBondContact O-N 3.43Å; W82-E84 VanDerWaalsContact O-N 3.17Å
83E78.9Confident80.3Confident189 Ų189143.1 Ų143.188%0.88370%0.697SS**PPolyproline II helixtrans-66.8118177-64.8-180-177.500109.3A85E83-A85 PolarHBondContact O-N 3.46Å; E83-A85 VanDerWaalsContact O-N 3.09Å
84E72.8Confident79.3Confident116 Ų116142.1 Ų142.154%0.54271%0.707SS.*  trans-63.7111.8171.8-70.9-176179.400108.8W82 V86 Y88W82-E84 PolarHBondContact O-N 3.43Å; W82-E84 VanDerWaalsContact O-N 3.17Å; E84-V86 PolarHBondContact O-N 2.78Å; E84-Y88 WeakPolarHBondContact OE2-CB 3.41Å; E84-Y88 PolarHBondContact OE2-N 3.39Å
85A79.1Confident78.4Confident106 Ų106145.6 Ų145.688%0.87672%0.72SS**SBendtrans-56.6-22.3175.900000113E83E83-A85 PolarHBondContact O-N 3.46Å; E83-A85 VanDerWaalsContact O-N 3.09Å
86V76.2Confident77.4Confident118 Ų118146 Ų14672%0.71573%0.731SS**SBendtrans-129.7111.2173-176.30000107.8E84 Y88E84-V86 PolarHBondContact O-N 2.78Å; V86-Y88 PolarHBondContact O-N 3.22Å
87P75.2Confident76.9Confident108 Ų108150.6 Ų150.670%0.70173%0.733SS**  trans-56.6125.6178.6-24.232.5000111E89P87-E89 PolarHBondContact O-N 3Å
88Y74.9Confident76.2Confident166 Ų166147.8 Ų147.865%0.65173%0.731SS**  trans-56.9108.5173.6174-106.1000111.7E84 V86 K90E84-Y88 WeakPolarHBondContact OE2-CB 3.41Å; E84-Y88 PolarHBondContact OE2-N 3.39Å; V86-Y88 PolarHBondContact O-N 3.22Å; Y88-K90 HydrophobicContact CD1-CG 4.17Å; Y88-K90 HydrophobicContact CE1-CB 4.36Å; Y88-K90 HydrophobicContact CE1-CD 4.46Å; Y88-K90 HydrophobicContact CE1-CG 3.36Å
89E77.3Confident75.4Confident125 Ų125148.7 Ų148.758%0.58473%0.73SS**  trans-90.4123.8170.2-141.5-173.8166.800108.5P87 K91P87-E89 PolarHBondContact O-N 3Å; E89-K91 VanDerWaalsContact CD-NZ 3.26Å; E89-K91 PolarHBondContact O-N 3.48Å; E89-K91 WeakPolarHBondContact OE1-CE 3.39Å; E89-K91 IonicContact OE1-NZ 3.98Å; E89-K91 PolarHBondContact OE1-NZ 2.85Å; E89-K91 VanDerWaalsContact OE1-NZ 3.13Å; E89-K91 VanDerWaalsContact OE2-CE 3.27Å; E89-K91 WeakPolarHBondContact OE2-CE 3.25Å; E89-K91 IonicContact OE2-NZ 2.88Å; E89-K91 PolarHBondContact OE2-NZ 2.9Å
90K69.8Low74.8Confident179 Ų179151.4 Ų151.478%0.77874%0.74SS**  trans-6854.4176.4-78.6-178.6-178.2174.90112.5Y88 K92Y88-K90 HydrophobicContact CD1-CG 4.17Å; Y88-K90 HydrophobicContact CE1-CB 4.36Å; Y88-K90 HydrophobicContact CE1-CD 4.46Å; Y88-K90 HydrophobicContact CE1-CG 3.36Å; K90-K92 PolarHBondContact O-N 3.31Å
91K72.8Confident74Confident141 Ų141150.8 Ų150.861%0.61374%0.74SS**  trans-83.696.7167.3-77.2174177.4153.20107.8E89 R93E89-K91 VanDerWaalsContact CD-NZ 3.26Å; E89-K91 PolarHBondContact O-N 3.48Å; E89-K91 WeakPolarHBondContact OE1-CE 3.39Å; E89-K91 IonicContact OE1-NZ 3.98Å; E89-K91 PolarHBondContact OE1-NZ 2.85Å; E89-K91 VanDerWaalsContact OE1-NZ 3.13Å; E89-K91 VanDerWaalsContact OE2-CE 3.27Å; E89-K91 WeakPolarHBondContact OE2-CE 3.25Å; E89-K91 IonicContact OE2-NZ 2.88Å; E89-K91 PolarHBondContact OE2-NZ 2.9Å; K91-R93 VanDerWaalsContact C-N 3.31Å; K91-R93 PolarHBondContact O-N 2.96Å
92K65.5Low73.2Confident175 Ų175151.4 Ų151.476%0.76174%0.741SS**  trans-6395.2166-71.6-176178.9-179.10108K90 G94K90-K92 PolarHBondContact O-N 3.31Å; K92-G94 PolarHBondContact O-N 3.43Å
93R68.4Low72.2Confident246 Ų246148.1 Ų148.193%0.92874%0.737SS**  trans-73.9121.7168.3-72.1-175.769.1-169.90.5107.9K91K91-R93 VanDerWaalsContact C-N 3.31Å; K91-R93 PolarHBondContact O-N 2.96Å
94G71.1Confident71.2Confident64 Ų64143.2 Ų143.266%0.6672%0.724SS**SBendtrans103.4164.9176.600000113.5K92K92-G94 PolarHBondContact O-N 3.43Å
95K76.8Confident70.6Confident209 Ų209143.6 Ų143.691%0.90974%0.736SS**  trans-64.2137.4178.4-63.8-179.1179.2-179.10108.8Y97K95-Y97 PolarHBondContact O-N 3.39Å; K95-Y97 VanDerWaalsContact O-N 3.14Å
96V70.2Confident69.9Low106 Ų106140.4 Ų140.464%0.64271%0.708SS**  trans-56122.1170.5177.70000107.3T98V96-T98 PolarHBondContact O-N 2.76Å
97Y78Confident69.6Low173 Ų173138.6 Ų138.668%0.67870%0.697SS**  trans-62.6106.1175.3176.1-101.5000108.5K95 P99K95-Y97 PolarHBondContact O-N 3.39Å; K95-Y97 VanDerWaalsContact O-N 3.14Å; Y97-P99 HydrophobicContact CE1-CB 4.38Å; Y97-P99 HydrophobicContact CE1-CG 4.48Å
98T76.1Confident69.1Low114 Ų114140.6 Ų140.670%0.69970%0.697SS**PPolyproline II helixtrans-76.8121.9160.931.80000107.3V96 K100V96-T98 PolarHBondContact O-N 2.76Å; T98-K100 PolarHBondContact O-N 2.89Å
99P74.9Confident68.7Low97 Ų97138.7 Ų138.763%0.6370%0.698SS**PPolyproline II helixtrans-49.5128.5169.8-2130.4000108.5Y97 Q101Y97-P99 HydrophobicContact CE1-CB 4.38Å; Y97-P99 HydrophobicContact CE1-CG 4.48Å; P99-Q101 PolarHBondContact O-N 3.49Å; P99-Q101 VanDerWaalsContact O-N 3.1Å
100K74.9Confident68.2Low181 Ų181136.1 Ų136.179%0.78769%0.686SS**PPolyproline II helixtrans-55.9121.7166.8-68.2-177.4179.4-177.20105.9T98 I102T98-K100 PolarHBondContact O-N 2.89Å; K100-I102 PolarHBondContact O-N 3.25Å; K100-I102 VanDerWaalsContact O-N 3.07Å
101Q65.7Low67.9Low179 Ų179131.1 Ų131.184%0.83667%0.667SS**PPolyproline II helixtrans-55.6121.8170.1-73.2-175.3-17.300106P99 M103P99-Q101 PolarHBondContact O-N 3.49Å; P99-Q101 VanDerWaalsContact O-N 3.1Å; Q101-M103 PolarHBondContact O-N 2.96Å
102I61.6Low67.5Low168 Ų168127.6 Ų127.686%0.86266%0.657SS**  trans-62101.6169.2-57.9168.8000102.8K100 S104K100-I102 PolarHBondContact O-N 3.25Å; K100-I102 VanDerWaalsContact O-N 3.07Å; I102-S104 PolarHBondContact O-N 2.73Å
103M56.6Low67.6Low151 Ų151127.6 Ų127.674%0.74466%0.66SS**PPolyproline II helixtrans-56.5119.8174.5-65.9-17869.400104.7Q101Q101-M103 PolarHBondContact O-N 2.96Å
104S58.2Low67.6Low86 Ų86121.7 Ų121.760%0.60165%0.645SS**PPolyproline II helixtrans-48.9143.7164.642.90000107.5I102 S106I102-S104 PolarHBondContact O-N 2.73Å; S104-S106 PolarHBondContact O-N 3.23Å
105P59.3Low67.3Low123 Ų123121.2 Ų121.280%0.79964%0.64SS**PPolyproline II helixtrans-46.6122.9175.618.8-30.4000108.3T107P105-T107 PolarHBondContact O-N 2.91Å
106S64.9Low66.7Low40 Ų40117.8 Ų117.828%0.2863%0.625SS.*PPolyproline II helixtrans-52.5132.3-175.7-80.20000109.5S104 E110S104-S106 PolarHBondContact O-N 3.23Å; S106-E110 VanDerWaalsContact CA-OE2 3.26Å; S106-E110 WeakPolarHBondContact CA-OE2 3.35Å; S106-E110 VanDerWaalsContact CB-OE2 3.23Å; S106-E110 WeakPolarHBondContact CB-OE2 3.4Å; S106-E110 PolarHBondContact OG-OE2 3.36Å
107T69.6Low66.4Low79 Ų79116.7 Ų116.749%0.48562%0.616SS.*PPolyproline II helixtrans-59.9149.1179.5-33.90000108.8P105 N109 E110 L111P105-T107 PolarHBondContact O-N 2.91Å; T107-N109 PolarHBondContact O-N 2.83Å; T107-E110 WeakPolarHBondContact O-CA 3.42Å; T107-E110 WeakPolarHBondContact O-CB 3.42Å; T107-E110 PolarHBondContact O-N 3.27Å; T107-E110 PolarHBondContact OG1-OE1 2.88Å; T107-L111 PolarHBondContact O-N 3.06Å; T107-L111 VanDerWaalsContact O-N 3.14Å
108Q64.9Low65.7Low151 Ų151112.2 Ų112.271%0.70661%0.606SS**Hα-helixtrans-51-37177.6-173168.8-18.300111.9E110 L111 V112Q108-E110 VanDerWaalsContact C-N 3.34Å; Q108-E110 PolarHBondContact O-N 2.91Å; Q108-L111 WeakPolarHBondContact O-CB 3.49Å; Q108-L111 PolarHBondContact O-N 2.93Å; Q108-V112 VanDerWaalsContact O-CG2 3.26Å; Q108-V112 WeakPolarHBondContact O-CG2 3.41Å; Q108-V112 PolarHBondContact O-N 3.05Å
109N66.4Low65.4Low126 Ų126115 Ų11567%0.67461%0.611SS**Hα-helixtrans-60.4-36.6173.3-66.9-1.3000114T107 V112 E113T107-N109 PolarHBondContact O-N 2.83Å; N109-V112 PolarHBondContact O-N 3.19Å; N109-E113 WeakPolarHBondContact O-CB 3.39Å; N109-E113 PolarHBondContact O-N 3.23Å
110E65.8Low65.3Low71 Ų71115.1 Ų115.133%0.33260%0.602SS.*Hα-helixtrans-71.4-36.9176.4-67.5166-144.900111S106 T107 Q108 V112 E113 M114S106-E110 VanDerWaalsContact CA-OE2 3.26Å; S106-E110 WeakPolarHBondContact CA-OE2 3.35Å; S106-E110 VanDerWaalsContact CB-OE2 3.23Å; S106-E110 WeakPolarHBondContact CB-OE2 3.4Å; S106-E110 PolarHBondContact OG-OE2 3.36Å; T107-E110 WeakPolarHBondContact O-CA 3.42Å; T107-E110 WeakPolarHBondContact O-CB 3.42Å; T107-E110 PolarHBondContact O-N 3.27Å; T107-E110 PolarHBondContact OG1-OE1 2.88Å; Q108-E110 VanDerWaalsContact C-N 3.34Å; Q108-E110 PolarHBondContact O-N 2.91Å; E110-V112 VanDerWaalsContact C-N 3.32Å; E110-E113 PolarHBondContact O-N 3.48Å; E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 VanDerWaalsContact O-CG 3.26Å; E110-M114 WeakPolarHBondContact O-CG 3.22Å; E110-M114 PolarHBondContact O-N 3.39Å
111L64.7Low65.6Low73 Ų73112.6 Ų112.638%0.38260%0.597SS.*Hα-helixtrans-63-41174.2-66.4172.9000111.1T107 Q108 M114 G115 F116T107-L111 PolarHBondContact O-N 3.06Å; T107-L111 VanDerWaalsContact O-N 3.14Å; Q108-L111 WeakPolarHBondContact O-CB 3.49Å; Q108-L111 PolarHBondContact O-N 2.93Å; L111-M114 PolarHBondContact O-N 2.87Å; L111-G115 PolarHBondContact O-N 3.04Å; L111-F116 HydrophobicContact CB-CB 4.27Å; L111-F116 HydrophobicContact CD2-CB 4.32Å; L111-F116 HydrophobicContact CD2-CD2 4.23Å; L111-F116 PolarHBondContact O-N 3.41Å
112V63.3Low66.3Low68 Ų68109.9 Ų109.941%0.41259%0.588SS.*Hα-helixtrans-60-48.3172.2177.20000110.6Q108 N109 E110 M114 G115 D117Q108-V112 VanDerWaalsContact O-CG2 3.26Å; Q108-V112 WeakPolarHBondContact O-CG2 3.41Å; Q108-V112 PolarHBondContact O-N 3.05Å; N109-V112 PolarHBondContact O-N 3.19Å; E110-V112 VanDerWaalsContact C-N 3.32Å; V112-M114 VanDerWaalsContact C-N 3.29Å; V112-M114 PolarHBondContact O-N 3.35Å; V112-G115 PolarHBondContact O-N 3.22Å; V112-D117 HydrophobicContact CB-CB 4.18Å; V112-D117 HydrophobicContact CG1-CB 4.42Å; V112-D117 HydrophobicContact CG2-CB 3.73Å
113E68.7Low67.4Low174 Ų174107.8 Ų107.881%0.81358%0.579SS**Hα-helixtrans-64-33.3179.7-168.7175.1-172.700112.7N109 E110 G115N109-E113 WeakPolarHBondContact O-CB 3.39Å; N109-E113 PolarHBondContact O-N 3.23Å; E110-E113 PolarHBondContact O-N 3.48Å; E113-G115 PolarHBondContact O-N 3.12Å
114M68.3Low68.6Low123 Ų123103.4 Ų103.461%0.60656%0.56SS**THydrogen-bonded Turntrans-76.5-4.8173.1-71.5-174.57700113.7E110 L111 V112 F116E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 VanDerWaalsContact O-CG 3.26Å; E110-M114 WeakPolarHBondContact O-CG 3.22Å; E110-M114 PolarHBondContact O-N 3.39Å; L111-M114 PolarHBondContact O-N 2.87Å; V112-M114 VanDerWaalsContact C-N 3.29Å; V112-M114 PolarHBondContact O-N 3.35Å; M114-F116 VanDerWaalsContact C-N 3.32Å; M114-F116 HydrophobicContact CB-CD2 3.57Å; M114-F116 HydrophobicContact CB-CE2 3.96Å; M114-F116 HydrophobicContact CE-CD2 4.31Å; M114-F116 HydrophobicContact CE-CE2 3.6Å; M114-F116 HydrophobicContact SD-CD2 4.32Å; M114-F116 HydrophobicContact SD-CE2 4.16Å
115G65.1Low69.8Low54 Ų54101.9 Ų101.956%0.55755%0.546SS*.THydrogen-bonded Turntrans73.320.5-177.800000114.2L111 V112 E113 D117L111-G115 PolarHBondContact O-N 3.04Å; V112-G115 PolarHBondContact O-N 3.22Å; E113-G115 PolarHBondContact O-N 3.12Å; G115-D117 VanDerWaalsContact C-N 3.32Å
116F62.9Low71Confident137 Ų137101.6 Ų101.660%0.60153%0.532SS*.  trans-83.9-8.6172.1-74.2-67.4000113.2L111 M114 V118L111-F116 HydrophobicContact CB-CB 4.27Å; L111-F116 HydrophobicContact CD2-CB 4.32Å; L111-F116 HydrophobicContact CD2-CD2 4.23Å; L111-F116 PolarHBondContact O-N 3.41Å; M114-F116 VanDerWaalsContact C-N 3.32Å; M114-F116 HydrophobicContact CB-CD2 3.57Å; M114-F116 HydrophobicContact CB-CE2 3.96Å; M114-F116 HydrophobicContact CE-CD2 4.31Å; M114-F116 HydrophobicContact CE-CE2 3.6Å; M114-F116 HydrophobicContact SD-CD2 4.32Å; M114-F116 HydrophobicContact SD-CE2 4.16Å; F116-V118 PolarHBondContact O-N 2.88Å
117D63.4Low72Confident83 Ų83102.6 Ų102.644%0.44454%0.542SS..  trans-74.682.9168.1-166.318.2000109.2V112 G115 E119V112-D117 HydrophobicContact CB-CB 4.18Å; V112-D117 HydrophobicContact CG1-CB 4.42Å; V112-D117 HydrophobicContact CG2-CB 3.73Å; G115-D117 VanDerWaalsContact C-N 3.32Å; D117-E119 PolarHBondContact O-N 3.49Å
118V64.1Low72.7Confident79 Ų79101.7 Ų101.748%0.47953%0.534SS..  trans-82.599.9169.7-175.50000106F116 F120F116-V118 PolarHBondContact O-N 2.88Å; V118-F120 VanDerWaalsContact C-N 3.27Å; V118-F120 HydrophobicContact CB-CD2 4.38Å; V118-F120 HydrophobicContact CB-CE2 3.87Å; V118-F120 HydrophobicContact CB-CZ 3.94Å; V118-F120 HydrophobicContact CG1-CD1 4Å; V118-F120 HydrophobicContact CG1-CD2 4.22Å; V118-F120 HydrophobicContact CG1-CE1 3.59Å; V118-F120 HydrophobicContact CG1-CE2 3.83Å; V118-F120 HydrophobicContact CG1-CG 4.3Å; V118-F120 HydrophobicContact CG1-CZ 3.5Å; V118-F120 VanDerWaalsContact CG1-CZ 3.5Å; V118-F120 WeakPolarHBondContact O-CD2 3.42Å; V118-F120 PolarHBondContact O-N 3.43Å
119E70.8Confident73.7Confident173 Ų173102 Ų10281%0.80854%0.536SS*.  trans-6391.9168.8-74.6-177.5170.900108.6D117D117-E119 PolarHBondContact O-N 3.49Å
120F71.2Confident74.8Confident99 Ų99102.4 Ų102.443%0.43454%0.538SS..  trans-75.5160.4164.2-60.8-72.5000110V118 V124 N125 L128V118-F120 VanDerWaalsContact C-N 3.27Å; V118-F120 HydrophobicContact CB-CD2 4.38Å; V118-F120 HydrophobicContact CB-CE2 3.87Å; V118-F120 HydrophobicContact CB-CZ 3.94Å; V118-F120 HydrophobicContact CG1-CD1 4Å; V118-F120 HydrophobicContact CG1-CD2 4.22Å; V118-F120 HydrophobicContact CG1-CE1 3.59Å; V118-F120 HydrophobicContact CG1-CE2 3.83Å; V118-F120 HydrophobicContact CG1-CG 4.3Å; V118-F120 HydrophobicContact CG1-CZ 3.5Å; V118-F120 VanDerWaalsContact CG1-CZ 3.5Å; V118-F120 WeakPolarHBondContact O-CD2 3.42Å; V118-F120 PolarHBondContact O-N 3.43Å; F120-V124 HydrophobicContact CB-CB 3.91Å; F120-V124 HydrophobicContact CB-CG1 3.88Å; F120-V124 HydrophobicContact CD1-CG1 4.35Å; F120-V124 HydrophobicContact CG-CG1 4.08Å; F120-N125 PolarHBondContact O-ND2 3.39Å; F120-L128 HydrophobicContact CD2-CD1 4.36Å; F120-L128 HydrophobicContact CE2-CD1 4.48Å
121D81.3Confident75.8Confident127 Ų127100.4 Ų100.468%0.67953%0.533SS*.  trans-53.7144.9171.3-65.6-35.5000110.5D123 V124 N125D121-D123 PolarHBondContact O-N 2.98Å; D121-V124 HydrophobicContact CB-CG2 4.36Å; D121-V124 WeakPolarHBondContact O-CB 3.34Å; D121-V124 PolarHBondContact O-N 3.46Å; D121-N125 PolarHBondContact O-N 3.3Å; D121-N125 VanDerWaalsContact O-N 3.1Å
122D80.8Confident76.8Confident122 Ų122100.5 Ų100.565%0.65254%0.537SS*.Hα-helixtrans-50.5-33-178.8-74.6-16.1000112.9K126D122-K126 WeakPolarHBondContact O-CB 3.43Å; D122-K126 VanDerWaalsContact O-CG 3.27Å; D122-K126 WeakPolarHBondContact O-CG 3.42Å; D122-K126 PolarHBondContact O-N 3Å; D122-K126 VanDerWaalsContact O-N 3.12Å
123D84.9Confident77.7Confident124 Ų124101.7 Ų101.766%0.66354%0.538SS*.Hα-helixtrans-71.4-35.2179.4-64.6-22.7000112.3D121 A127D121-D123 PolarHBondContact O-N 2.98Å; D123-A127 WeakPolarHBondContact O-CB 3.45Å; D123-A127 PolarHBondContact O-N 3.28Å; D123-A127 VanDerWaalsContact O-N 3.08Å
124V83Confident78.3Confident60 Ų6097.2 Ų97.236%0.36452%0.52SS..Hα-helixtrans-73.8-43.4177.2177.20000110.4F120 D121 K126 A127 L128F120-V124 HydrophobicContact CB-CB 3.91Å; F120-V124 HydrophobicContact CB-CG1 3.88Å; F120-V124 HydrophobicContact CD1-CG1 4.35Å; F120-V124 HydrophobicContact CG-CG1 4.08Å; D121-V124 HydrophobicContact CB-CG2 4.36Å; D121-V124 WeakPolarHBondContact O-CB 3.34Å; D121-V124 PolarHBondContact O-N 3.46Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 2.92Å; V124-A127 WeakPolarHBondContact O-CB 3.43Å; V124-A127 PolarHBondContact O-N 3.19Å; V124-A127 VanDerWaalsContact O-N 3.07Å; V124-L128 HydrophobicContact CG1-CD1 4.15Å; V124-L128 HydrophobicContact CG1-CG 4.4Å; V124-L128 WeakPolarHBondContact O-CG 3.26Å; V124-L128 PolarHBondContact O-N 2.87Å
125N82Confident79.1Confident54 Ų5496.6 Ų96.629%0.28952%0.516SS..Hα-helixtrans-59.9-45.6176.2-74.2-34.5000111.3F120 D121 A127 L128 E129F120-N125 PolarHBondContact O-ND2 3.39Å; D121-N125 PolarHBondContact O-N 3.3Å; D121-N125 VanDerWaalsContact O-N 3.1Å; N125-A127 VanDerWaalsContact C-N 3.27Å; N125-A127 PolarHBondContact O-N 2.97Å; N125-L128 PolarHBondContact O-N 3.35Å; N125-E129 WeakPolarHBondContact O-CB 3.34Å; N125-E129 WeakPolarHBondContact O-CG 3.08Å; N125-E129 PolarHBondContact O-N 3.42Å
126K84.8Confident80.1Confident117 Ų11796.6 Ų96.651%0.50950%0.502SS..Hα-helixtrans-60.9-35.3173.3-74.7171.1-169.9158.40112.8D122 V124 N130D122-K126 WeakPolarHBondContact O-CB 3.43Å; D122-K126 VanDerWaalsContact O-CG 3.27Å; D122-K126 WeakPolarHBondContact O-CG 3.42Å; D122-K126 PolarHBondContact O-N 3Å; D122-K126 VanDerWaalsContact O-N 3.12Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 2.92Å; K126-N130 WeakPolarHBondContact O-CB 3.16Å; K126-N130 PolarHBondContact O-N 3.43Å; K126-N130 PolarHBondContact O-ND2 2.91Å
127A85.7Confident81.1Confident61 Ų6190 Ų9050%0.50447%0.474SS..Hα-helixtrans-68.5-43.2176.700000111.5D123 V124 N125 N130 A131D123-A127 WeakPolarHBondContact O-CB 3.45Å; D123-A127 PolarHBondContact O-N 3.28Å; D123-A127 VanDerWaalsContact O-N 3.08Å; V124-A127 WeakPolarHBondContact O-CB 3.43Å; V124-A127 PolarHBondContact O-N 3.19Å; V124-A127 VanDerWaalsContact O-N 3.07Å; N125-A127 VanDerWaalsContact C-N 3.27Å; N125-A127 PolarHBondContact O-N 2.97Å; A127-N130 PolarHBondContact O-N 2.91Å; A127-A131 WeakPolarHBondContact O-CB 3.41Å; A127-A131 PolarHBondContact O-N 3.43Å
128L85.4Confident82.1Confident60 Ų6089.3 Ų89.331%0.31447%0.47SS..Hα-helixtrans-66.6-38.3177.3-68.6173.6000112.5F120 V124 N125 N130 A131 L136 L139F120-L128 HydrophobicContact CD2-CD1 4.36Å; F120-L128 HydrophobicContact CE2-CD1 4.48Å; V124-L128 HydrophobicContact CG1-CD1 4.15Å; V124-L128 HydrophobicContact CG1-CG 4.4Å; V124-L128 WeakPolarHBondContact O-CG 3.26Å; V124-L128 PolarHBondContact O-N 2.87Å; N125-L128 PolarHBondContact O-N 3.35Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 3.38Å; L128-A131 PolarHBondContact O-N 3.12Å; L128-L136 HydrophobicContact CD2-CD2 4.08Å; L128-L139 HydrophobicContact CD2-CD2 3.68Å
129E85.2Confident83.1Confident157 Ų15789 Ų8973%0.73447%0.465SS*.Hα-helixtrans-66.6-33.3176.6-75.7179.4175.400113.1N125N125-E129 WeakPolarHBondContact O-CB 3.34Å; N125-E129 WeakPolarHBondContact O-CG 3.08Å; N125-E129 PolarHBondContact O-N 3.42Å
130N88.6Confident83.8Confident134 Ų13481 Ų8172%0.71743%0.429SS*.Hα-helixtrans-94.1-6179.5-68.9-57.7000113.6K126 A127 L128K126-N130 WeakPolarHBondContact O-CB 3.16Å; K126-N130 PolarHBondContact O-N 3.43Å; K126-N130 PolarHBondContact O-ND2 2.91Å; A127-N130 PolarHBondContact O-N 2.91Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 3.38Å
131A86.8Confident84.4Confident29 Ų2976.6 Ų76.624%0.2441%0.41CS..  trans-67.5143.4179.900000110.9A127 L128 E135 L136A127-A131 WeakPolarHBondContact O-CB 3.41Å; A127-A131 PolarHBondContact O-N 3.43Å; L128-A131 PolarHBondContact O-N 3.12Å; A131-E135 HydrophobicContact CB-CB 4.47Å; A131-L136 HydrophobicContact CB-CD2 4.03Å; A131-L136 HydrophobicContact CB-CG 4.09Å
132T86.1Confident84.5Confident75 Ų7576.3 Ų76.346%0.4641%0.413SS..  trans-73.4155.8172.460.10000110.8D134 E135 L136T132-D134 PolarHBondContact O-N 2.96Å; T132-E135 PolarHBondContact N-OE2 2.93Å; T132-E135 PolarHBondContact O-N 3.08Å; T132-E135 VanDerWaalsContact O-N 3.08Å; T132-E135 VanDerWaalsContact OG1-CG 3.24Å; T132-E135 WeakPolarHBondContact OG1-CG 3.21Å; T132-E135 PolarHBondContact OG1-OE2 3.49Å; T132-L136 PolarHBondContact O-N 3.25Å
133E82.2Confident84.8Confident93 Ų9375.5 Ų75.544%0.43541%0.408SS..Hα-helixtrans-59.2-34.6-179.8-168.4176.3-17400112.3L136 V137 G167 F168E133-L136 PolarHBondContact O-N 2.98Å; E133-V137 WeakPolarHBondContact O-CG2 3.26Å; E133-V137 PolarHBondContact O-N 3.43Å; E133-G167 VanDerWaalsContact CD-CA 3.4Å; E133-G167 WeakPolarHBondContact OE1-CA 3.4Å; E133-F168 HydrophobicContact CG-CD2 4.23Å; E133-F168 PolarHBondContact OE1-N 3.04Å
134D81.2Confident84.8Confident80 Ų8071.5 Ų71.543%0.42840%0.396SS..Hα-helixtrans-64.5-42.4175.8-67.9-24.8000111.6T132 L136 V137 D138T132-D134 PolarHBondContact O-N 2.96Å; D134-L136 VanDerWaalsContact C-N 3.32Å; D134-L136 PolarHBondContact O-N 2.87Å; D134-V137 PolarHBondContact O-N 3.06Å; D134-D138 PolarHBondContact O-N 3.14Å
135E84.9Confident84.9Confident111 Ų11173.5 Ų73.552%0.51940%0.4SS..Hα-helixtrans-66.2-35.5176.2-70.6165151.300111.7A131 T132 D138 L139A131-E135 HydrophobicContact CB-CB 4.47Å; T132-E135 PolarHBondContact N-OE2 2.93Å; T132-E135 PolarHBondContact O-N 3.08Å; T132-E135 VanDerWaalsContact O-N 3.08Å; T132-E135 VanDerWaalsContact OG1-CG 3.24Å; T132-E135 WeakPolarHBondContact OG1-CG 3.21Å; T132-E135 PolarHBondContact OG1-OE2 3.49Å; E135-D138 PolarHBondContact O-N 2.96Å; E135-L139 WeakPolarHBondContact O-CB 3.46Å; E135-L139 PolarHBondContact O-N 3.41Å
136L86.6Confident84.8Confident53 Ų5375.1 Ų75.128%0.27741%0.412SS..Hα-helixtrans-68.1-37.4174.3-69.1175000112.1L128 A131 T132 E133 D134 L139 A140 F168L128-L136 HydrophobicContact CD2-CD2 4.08Å; A131-L136 HydrophobicContact CB-CD2 4.03Å; A131-L136 HydrophobicContact CB-CG 4.09Å; T132-L136 PolarHBondContact O-N 3.25Å; E133-L136 PolarHBondContact O-N 2.98Å; D134-L136 VanDerWaalsContact C-N 3.32Å; D134-L136 PolarHBondContact O-N 2.87Å; L136-L139 PolarHBondContact O-N 2.91Å; L136-A140 VanDerWaalsContact O-CB 3.27Å; L136-A140 WeakPolarHBondContact O-CB 3.42Å; L136-A140 PolarHBondContact O-N 2.89Å; L136-F168 HydrophobicContact CB-CE2 3.81Å; L136-F168 HydrophobicContact CB-CZ 4.15Å
137V84.2Confident84.6Confident0 Ų073.4 Ų73.40%043%0.428CS..Hα-helixtrans-64.7-44.6173.4167.70000110.7E133 D134 L139 A140 A141 L149 Q153 L163 F168E133-V137 WeakPolarHBondContact O-CG2 3.26Å; E133-V137 PolarHBondContact O-N 3.43Å; D134-V137 PolarHBondContact O-N 3.06Å; V137-L139 PolarHBondContact O-N 2.85Å; V137-A140 PolarHBondContact O-N 3.22Å; V137-A141 PolarHBondContact O-N 3.35Å; V137-L149 HydrophobicContact CB-CD2 4.25Å; V137-L149 HydrophobicContact CG1-CD1 4.4Å; V137-L149 HydrophobicContact CG1-CD2 3.66Å; V137-L149 HydrophobicContact CG2-CD2 4.12Å; V137-Q153 HydrophobicContact CG1-CB 4.13Å; V137-L163 HydrophobicContact CB-CD1 3.95Å; V137-L163 HydrophobicContact CG1-CD1 3.52Å; V137-L163 HydrophobicContact CG2-CD1 4.38Å; V137-F168 HydrophobicContact CG2-CD1 4.26Å; V137-F168 HydrophobicContact CG2-CD2 4.13Å; V137-F168 HydrophobicContact CG2-CE1 4.13Å; V137-F168 HydrophobicContact CG2-CE2 3.99Å; V137-F168 HydrophobicContact CG2-CG 4.27Å; V137-F168 HydrophobicContact CG2-CZ 3.98Å
138D83.4Confident84.4Confident67 Ų6776.5 Ų76.536%0.35843%0.433SS..Hα-helixtrans-62.4-43.1176.7-74.6-15.4000111.4D134 E135 A141 V142 S157D134-D138 PolarHBondContact O-N 3.14Å; E135-D138 PolarHBondContact O-N 2.96Å; D138-A141 WeakPolarHBondContact O-CB 3.33Å; D138-A141 PolarHBondContact O-N 2.91Å; D138-V142 WeakPolarHBondContact O-CG2 3.26Å; D138-V142 PolarHBondContact O-N 3.46Å; D138-S157 WeakPolarHBondContact OD1-CB 3.35Å; D138-S157 PolarHBondContact OD1-OG 3.31Å
139L86.2Confident84.3Confident73 Ų7374.4 Ų74.438%0.38242%0.422SS..Hα-helixtrans-61.3-45.5174.2-17864.8000111.4L128 E135 L136 V137 A141 V142 L143L128-L139 HydrophobicContact CD2-CD2 3.68Å; E135-L139 WeakPolarHBondContact O-CB 3.46Å; E135-L139 PolarHBondContact O-N 3.41Å; L136-L139 PolarHBondContact O-N 2.91Å; V137-L139 PolarHBondContact O-N 2.85Å; L139-A141 VanDerWaalsContact C-N 3.26Å; L139-A141 PolarHBondContact O-N 2.93Å; L139-V142 PolarHBondContact O-N 3.38Å; L139-L143 HydrophobicContact CD1-CD1 4.2Å; L139-L143 HydrophobicContact CD1-CG 4.28Å; L139-L143 HydrophobicContact CG-CD1 3.94Å; L139-L143 HydrophobicContact CG-CG 4.4Å; L139-L143 WeakPolarHBondContact O-CB 3.44Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 2.95Å
140A85.5Confident84.1Confident6 Ų668.7 Ų68.75%0.0540%0.397CS..Hα-helixtrans-60.9-35.7176.300000111.9L136 V137 G144 F145 L149 F168L136-A140 VanDerWaalsContact O-CB 3.27Å; L136-A140 WeakPolarHBondContact O-CB 3.42Å; L136-A140 PolarHBondContact O-N 2.89Å; V137-A140 PolarHBondContact O-N 3.22Å; A140-G144 PolarHBondContact O-N 3.34Å; A140-G144 VanDerWaalsContact O-N 3.1Å; A140-F145 HydrophobicContact CB-CB 4.23Å; A140-F145 HydrophobicContact CB-CD2 4.16Å; A140-F145 PolarHBondContact O-N 2.91Å; A140-L149 HydrophobicContact CB-CD1 4.02Å; A140-L149 HydrophobicContact CB-CD2 4.4Å; A140-L149 HydrophobicContact CB-CG 4.33Å; A140-F168 HydrophobicContact CB-CE1 3.95Å; A140-F168 HydrophobicContact CB-CZ 4.07Å
141A84.5Confident83.7Confident5 Ų568.6 Ų68.64%0.04139%0.392CS..Hα-helixtrans-67.8-44175.400000111.5V137 D138 L139 G144 L149 F154 S157V137-A141 PolarHBondContact O-N 3.35Å; D138-A141 WeakPolarHBondContact O-CB 3.33Å; D138-A141 PolarHBondContact O-N 2.91Å; L139-A141 VanDerWaalsContact C-N 3.26Å; L139-A141 PolarHBondContact O-N 2.93Å; A141-G144 PolarHBondContact O-N 3.41Å; A141-G144 VanDerWaalsContact O-N 3.13Å; A141-L149 HydrophobicContact CB-CD1 3.73Å; A141-F154 HydrophobicContact CB-CD2 4.09Å; A141-S157 VanDerWaalsContact CB-CB 3.44Å
142V83.5Confident83.5Confident121 Ų12171.3 Ų71.373%0.73341%0.405SS*.Hα-helixtrans-64.7-39.9176.7173.10000111.8D138 L139 G144D138-V142 WeakPolarHBondContact O-CG2 3.26Å; D138-V142 PolarHBondContact O-N 3.46Å; L139-V142 PolarHBondContact O-N 3.38Å; V142-G144 PolarHBondContact O-N 3.39Å
143L86.8Confident83.3Confident105 Ų10568 Ų6855%0.5539%0.385SS..THydrogen-bonded Turntrans-73-10.9175.3-68.2175000113.2L139 F145L139-L143 HydrophobicContact CD1-CD1 4.2Å; L139-L143 HydrophobicContact CD1-CG 4.28Å; L139-L143 HydrophobicContact CG-CD1 3.94Å; L139-L143 HydrophobicContact CG-CG 4.4Å; L139-L143 WeakPolarHBondContact O-CB 3.44Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 2.95Å; L143-F145 HydrophobicContact CB-CD2 4.31Å; L143-F145 HydrophobicContact CB-CE2 4.21Å; L143-F145 HydrophobicContact CB-CZ 4.4Å; L143-F145 HydrophobicContact CD1-CE2 3.93Å; L143-F145 HydrophobicContact CD1-CZ 4.38Å
144G83.7Confident83.3Confident41 Ų4165.6 Ų65.642%0.42337%0.373SS..THydrogen-bonded Turntrans81.224.1176.900000114.7A140 A141 V142 T146A140-G144 PolarHBondContact O-N 3.34Å; A140-G144 VanDerWaalsContact O-N 3.1Å; A141-G144 PolarHBondContact O-N 3.41Å; A141-G144 VanDerWaalsContact O-N 3.13Å; V142-G144 PolarHBondContact O-N 3.39Å; G144-T146 PolarHBondContact O-N 2.87Å
145F85.1Confident83.4Confident102 Ų10266 Ų6645%0.44737%0.372SS..  trans-75.158.4174.4-63.4-28.9000112.5A140 L143 G147 M148 L149A140-F145 HydrophobicContact CB-CB 4.23Å; A140-F145 HydrophobicContact CB-CD2 4.16Å; A140-F145 PolarHBondContact O-N 2.91Å; L143-F145 HydrophobicContact CB-CD2 4.31Å; L143-F145 HydrophobicContact CB-CE2 4.21Å; L143-F145 HydrophobicContact CB-CZ 4.4Å; L143-F145 HydrophobicContact CD1-CE2 3.93Å; L143-F145 HydrophobicContact CD1-CZ 4.38Å; F145-G147 PolarHBondContact O-N 2.86Å; F145-G147 VanDerWaalsContact O-N 3.15Å; F145-M148 PolarHBondContact O-N 3.35Å; F145-M148 VanDerWaalsContact O-N 3.13Å; F145-L149 PolarHBondContact O-N 3Å
146T79.9Confident83.2Confident87 Ų8761 Ų6153%0.53435%0.349SS..THydrogen-bonded Turntrans-61.2-23.6-179.155.80000113.6G144 M148 L149 F154G144-T146 PolarHBondContact O-N 2.87Å; T146-M148 VanDerWaalsContact C-N 3.34Å; T146-L149 VanDerWaalsContact O-O 3.11Å; T146-F154 HydrophobicContact CG2-CD2 4Å; T146-F154 HydrophobicContact CG2-CE2 3.67Å; T146-F154 HydrophobicContact CG2-CZ 3.99Å
147G82.3Confident83Confident81 Ų8159.5 Ų59.584%0.83534%0.344SS*.THydrogen-bonded Turntrans-74.4-20.5177.800000114.6F145F145-G147 PolarHBondContact O-N 2.86Å; F145-G147 VanDerWaalsContact O-N 3.15Å
148M80.5Confident82.9Confident126 Ų12664.7 Ų64.762%0.62137%0.371SS*.THydrogen-bonded Turntrans-98.5-14.8178.6-59.3-173.5-161.800112.6F145 T146F145-M148 PolarHBondContact O-N 3.35Å; F145-M148 VanDerWaalsContact O-N 3.13Å; T146-M148 VanDerWaalsContact C-N 3.34Å
149L82.5Confident82.9Confident16 Ų1666.8 Ų66.88%0.08438%0.379CS..SBendtrans-106.9142.9-176.3-64.2-178.9000111.4V137 A140 A141 F145 T146 F154 F168V137-L149 HydrophobicContact CB-CD2 4.25Å; V137-L149 HydrophobicContact CG1-CD1 4.4Å; V137-L149 HydrophobicContact CG1-CD2 3.66Å; V137-L149 HydrophobicContact CG2-CD2 4.12Å; A140-L149 HydrophobicContact CB-CD1 4.02Å; A140-L149 HydrophobicContact CB-CD2 4.4Å; A140-L149 HydrophobicContact CB-CG 4.33Å; A141-L149 HydrophobicContact CB-CD1 3.73Å; F145-L149 PolarHBondContact O-N 3Å; T146-L149 VanDerWaalsContact O-O 3.11Å; L149-F154 HydrophobicContact CB-CB 4.47Å; L149-F154 HydrophobicContact CD1-CD2 4.48Å; L149-F168 HydrophobicContact CD2-CD1 3.82Å; L149-F168 HydrophobicContact CD2-CE1 3.64Å
150N81.2Confident82.5Confident37 Ų3766.6 Ų66.620%0.19839%0.394CS..  trans-72152.4167.6-179.76.7000110.5V152 Q153 F154 G170 A172N150-V152 PolarHBondContact O-N 2.65Å; N150-Q153 HydrophobicContact CB-CB 4.46Å; N150-Q153 HydrophobicContact CB-CG 4.15Å; N150-Q153 WeakPolarHBondContact O-CA 3.26Å; N150-Q153 WeakPolarHBondContact O-CB 3.07Å; N150-Q153 PolarHBondContact O-N 3.33Å; N150-F154 PolarHBondContact O-N 2.96Å; N150-G170 PolarHBondContact ND2-O 3.11Å; N150-A172 WeakPolarHBondContact ND2-CA 3.29Å; N150-A172 WeakPolarHBondContact ND2-CB 3.4Å; N150-A172 PolarHBondContact ND2-N 3.12Å; N150-A172 VanDerWaalsContact OD1-CB 3.3Å; N150-A172 WeakPolarHBondContact OD1-CB 3.41Å
151Q81.4Confident82.2Confident133 Ų13373.2 Ų73.262%0.62142%0.418SS*.Hα-helixtrans-54.4-40.7177.2-68.6-68.817.300112.4Q153 H155Q151-Q153 VanDerWaalsContact C-N 3.25Å; Q151-Q153 PolarHBondContact O-N 2.74Å; Q151-H155 WeakPolarHBondContact O-CB 3.14Å; Q151-H155 PolarHBondContact O-CD2 2.91Å; Q151-H155 PolarHBondContact O-N 3.23Å
152V81.1Confident81.6Confident85 Ų8582.4 Ų82.452%0.51546%0.457SS..Hα-helixtrans-61.8-37.9177.4-177.30000111.2N150 A156N150-V152 PolarHBondContact O-N 2.65Å; V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3.46Å
153Q81.7Confident80.8Confident7 Ų777.8 Ų77.83%0.03343%0.428CS..Hα-helixtrans-73.5-49.6-178.5-66.9166.1-22.500111.3V137 N150 Q151 H155 A156 S157 L163 G167V137-Q153 HydrophobicContact CG1-CB 4.13Å; N150-Q153 HydrophobicContact CB-CB 4.46Å; N150-Q153 HydrophobicContact CB-CG 4.15Å; N150-Q153 WeakPolarHBondContact O-CA 3.26Å; N150-Q153 WeakPolarHBondContact O-CB 3.07Å; N150-Q153 PolarHBondContact O-N 3.33Å; Q151-Q153 VanDerWaalsContact C-N 3.25Å; Q151-Q153 PolarHBondContact O-N 2.74Å; Q153-H155 VanDerWaalsContact C-N 3.32Å; Q153-H155 PolarHBondContact O-N 3.04Å; Q153-A156 PolarHBondContact O-N 3.13Å; Q153-A156 VanDerWaalsContact O-N 3.14Å; Q153-S157 PolarHBondContact O-N 3.01Å; Q153-S157 PolarHBondContact O-OG 3.48Å; Q153-L163 HydrophobicContact CB-CD2 3.95Å; Q153-L163 HydrophobicContact CG-CD2 3.79Å; Q153-G167 PolarHBondContact NE2-O 3.05Å
154F83Confident79.7Confident42 Ų4281.7 Ų81.718%0.18444%0.443CS..Hα-helixtrans-55.9-46.4177.6-177.8-101.8000112.1A141 T146 L149 N150 L158A141-F154 HydrophobicContact CB-CD2 4.09Å; T146-F154 HydrophobicContact CG2-CD2 4Å; T146-F154 HydrophobicContact CG2-CE2 3.67Å; T146-F154 HydrophobicContact CG2-CZ 3.99Å; L149-F154 HydrophobicContact CB-CB 4.47Å; L149-F154 HydrophobicContact CD1-CD2 4.48Å; N150-F154 PolarHBondContact O-N 2.96Å; F154-L158 HydrophobicContact CD1-CD1 3.97Å; F154-L158 HydrophobicContact CE1-CD1 3.41Å; F154-L158 VanDerWaalsContact CE1-CD1 3.41Å; F154-L158 HydrophobicContact CE1-CG 4.42Å; F154-L158 HydrophobicContact CE2-CD1 4.43Å; F154-L158 HydrophobicContact CZ-CD1 3.68Å; F154-L158 HydrophobicContact CZ-CG 4.43Å; F154-L158 WeakPolarHBondContact O-CG 3.35Å; F154-L158 PolarHBondContact O-N 2.71Å
155H82.8Confident78.8Confident88 Ų8887.4 Ų87.441%0.40746%0.461SS..Hα-helixtrans-68.9-37177-81.6-79.5000113.1Q151 Q153 L158 E159Q151-H155 WeakPolarHBondContact O-CB 3.14Å; Q151-H155 PolarHBondContact O-CD2 2.91Å; Q151-H155 PolarHBondContact O-N 3.23Å; Q153-H155 VanDerWaalsContact C-N 3.32Å; Q153-H155 PolarHBondContact O-N 3.04Å; H155-L158 PolarHBondContact O-N 3.24Å; H155-E159 WeakPolarHBondContact O-CB 3.48Å; H155-E159 WeakPolarHBondContact O-CG 3.45Å; H155-E159 PolarHBondContact O-N 3.05Å
156A82.1Confident77.8Confident5 Ų584.1 Ų84.14%0.04146%0.456CS..Hα-helixtrans-63.2-44.7176.900000111.6V152 Q153 L158 E159 G160 R161 L163V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3.46Å; Q153-A156 PolarHBondContact O-N 3.13Å; Q153-A156 VanDerWaalsContact O-N 3.14Å; A156-L158 PolarHBondContact O-N 2.89Å; A156-E159 PolarHBondContact O-N 3.26Å; A156-G160 PolarHBondContact O-N 2.88Å; A156-R161 HydrophobicContact CB-CB 4.26Å; A156-R161 PolarHBondContact O-N 3.17Å; A156-L163 HydrophobicContact CB-CD2 3.63Å
157S82.2Confident77.4Confident23 Ų2380.1 Ų80.116%0.16143%0.432CS..Hα-helixtrans-61.7-42.5176.8-59.60000112.4D138 A141 Q153 E159 G160D138-S157 WeakPolarHBondContact OD1-CB 3.35Å; D138-S157 PolarHBondContact OD1-OG 3.31Å; A141-S157 VanDerWaalsContact CB-CB 3.44Å; Q153-S157 PolarHBondContact O-N 3.01Å; Q153-S157 PolarHBondContact O-OG 3.48Å; S157-E159 PolarHBondContact O-N 2.86Å; S157-G160 PolarHBondContact O-N 3.31Å
158L81.8Confident77Confident108 Ų10880 Ų8057%0.56541%0.409SS*.Hα-helixtrans-67.5-33.8177.3-72.3177.7000113.5F154 H155 A156 G160F154-L158 HydrophobicContact CD1-CD1 3.97Å; F154-L158 HydrophobicContact CE1-CD1 3.41Å; F154-L158 VanDerWaalsContact CE1-CD1 3.41Å; F154-L158 HydrophobicContact CE1-CG 4.42Å; F154-L158 HydrophobicContact CE2-CD1 4.43Å; F154-L158 HydrophobicContact CZ-CD1 3.68Å; F154-L158 HydrophobicContact CZ-CG 4.43Å; F154-L158 WeakPolarHBondContact O-CG 3.35Å; F154-L158 PolarHBondContact O-N 2.71Å; H155-L158 PolarHBondContact O-N 3.24Å; A156-L158 PolarHBondContact O-N 2.89Å; L158-G160 VanDerWaalsContact C-N 3.33Å
159E83.5Confident76.8Confident112 Ų11278.9 Ų78.952%0.52341%0.413SS..Hα-helixtrans-87-3179.4-68.5173.8-168.600113H155 A156 S157 R161H155-E159 WeakPolarHBondContact O-CB 3.48Å; H155-E159 WeakPolarHBondContact O-CG 3.45Å; H155-E159 PolarHBondContact O-N 3.05Å; A156-E159 PolarHBondContact O-N 3.26Å; S157-E159 PolarHBondContact O-N 2.86Å; E159-R161 HydrophobicContact CB-CG 4.2Å; E159-R161 PolarHBondContact O-N 3.34Å; E159-R161 IonicContact OE1-NH2 3.33Å; E159-R161 IonicContact OE2-CZ 3.29Å; E159-R161 IonicContact OE2-NE 2.91Å; E159-R161 PolarHBondContact OE2-NE 3.49Å; E159-R161 IonicContact OE2-NH2 3.21Å; E159-R161 PolarHBondContact OE2-NH2 3.01Å
160G78.2Confident76.4Confident69 Ų6978.7 Ų78.771%0.71142%0.415SS*.THydrogen-bonded Turntrans66.524.1-174.900000113.5A156 S157 L158A156-G160 PolarHBondContact O-N 2.88Å; S157-G160 PolarHBondContact O-N 3.31Å; L158-G160 VanDerWaalsContact C-N 3.33Å
161R77.7Confident76Confident145 Ų14583 Ų8355%0.54744%0.442SS..PPolyproline II helixtrans-86.2135.4175.2-70.2-166.5-75155.1-6.2109.5A156 E159 L163A156-R161 HydrophobicContact CB-CB 4.26Å; A156-R161 PolarHBondContact O-N 3.17Å; E159-R161 HydrophobicContact CB-CG 4.2Å; E159-R161 PolarHBondContact O-N 3.34Å; E159-R161 IonicContact OE1-NH2 3.33Å; E159-R161 IonicContact OE2-CZ 3.29Å; E159-R161 IonicContact OE2-NE 2.91Å; E159-R161 PolarHBondContact OE2-NE 3.49Å; E159-R161 IonicContact OE2-NH2 3.21Å; E159-R161 PolarHBondContact OE2-NH2 3.01Å; R161-L163 PolarHBondContact O-N 2.89Å
162K72.4Confident75.5Confident197 Ų19779.3 Ų79.386%0.85744%0.435SS*.PPolyproline II helixtrans-63.5136.3172-67-169.4176.6-169.10110.3E164K162-E164 PolarHBondContact O-N 3.47Å
163L66.5Low75.2Confident24 Ų2483.7 Ų83.713%0.12645%0.447CS..PPolyproline II helixtrans-65.2120.7172.9-64.6171.3000109.1V137 Q153 A156 R161 M165V137-L163 HydrophobicContact CB-CD1 3.95Å; V137-L163 HydrophobicContact CG1-CD1 3.52Å; V137-L163 HydrophobicContact CG2-CD1 4.38Å; Q153-L163 HydrophobicContact CB-CD2 3.95Å; Q153-L163 HydrophobicContact CG-CD2 3.79Å; A156-L163 HydrophobicContact CB-CD2 3.63Å; R161-L163 PolarHBondContact O-N 2.89Å; L163-M165 VanDerWaalsContact C-N 3.29Å; L163-M165 PolarHBondContact O-N 3.05Å
164E64.9Low74.9Confident187 Ų18787.8 Ų87.887%0.87448%0.482SS*.SBendtrans-70.6-28.3-176.4-71.5-169.2163.300112.1K162K162-E164 PolarHBondContact O-N 3.47Å
165M63.3Low74.7Confident162 Ų16293 Ų9380%0.79851%0.507SS*.SBendtrans-166141.3172.4-66.2-62.2-7800110.9L163L163-M165 VanDerWaalsContact C-N 3.29Å; L163-M165 PolarHBondContact O-N 3.05Å
166G65.2Low74.5Confident33 Ų3399.4 Ų99.434%0.3453%0.528SS..  trans123.3-2.3141.200000119.8S169 G170G166-S169 CarbonylContact O-C 3.31Å; G166-S169 VanDerWaalsContact O-C 3.31Å; G166-S169 PolarHBondContact O-N 3.17Å; G166-S169 PolarHBondContact O-OG 3.12Å; G166-G170 WeakPolarHBondContact O-CA 3.44Å; G166-G170 PolarHBondContact O-N 3.44Å
167G70.2Confident74.4Confident3 Ų3104.8 Ų104.83%0.03156%0.562CS.*G310 helixtrans52-155.7173.200000114.6E133 Q153 S169 G170E133-G167 VanDerWaalsContact CD-CA 3.4Å; E133-G167 WeakPolarHBondContact OE1-CA 3.4Å; Q153-G167 PolarHBondContact NE2-O 3.05Å; G167-S169 PolarHBondContact O-N 3.15Å; G167-S169 VanDerWaalsContact O-N 3.12Å; G167-G170 PolarHBondContact O-N 2.69Å; G167-G170 VanDerWaalsContact O-N 3.1Å
168F75.2Confident74.5Confident79 Ų79111.7 Ų111.735%0.34659%0.589SS.*G310 helixtrans-65.3-20178.5-72.5-77.9000113.7E133 L136 V137 A140 L149 G170E133-F168 HydrophobicContact CG-CD2 4.23Å; E133-F168 PolarHBondContact OE1-N 3.04Å; L136-F168 HydrophobicContact CB-CE2 3.81Å; L136-F168 HydrophobicContact CB-CZ 4.15Å; V137-F168 HydrophobicContact CG2-CD1 4.26Å; V137-F168 HydrophobicContact CG2-CD2 4.13Å; V137-F168 HydrophobicContact CG2-CE1 4.13Å; V137-F168 HydrophobicContact CG2-CE2 3.99Å; V137-F168 HydrophobicContact CG2-CG 4.27Å; V137-F168 HydrophobicContact CG2-CZ 3.98Å; A140-F168 HydrophobicContact CB-CE1 3.95Å; A140-F168 HydrophobicContact CB-CZ 4.07Å; L149-F168 HydrophobicContact CD2-CD1 3.82Å; L149-F168 HydrophobicContact CD2-CE1 3.64Å; F168-G170 VanDerWaalsContact C-N 3.31Å
169S76.7Confident74.6Confident101 Ų101113.2 Ų113.271%0.70660%0.603SS**G310 helixtrans-90.38.7178.166.30000113.9G166 G167 V171G166-S169 CarbonylContact O-C 3.31Å; G166-S169 VanDerWaalsContact O-C 3.31Å; G166-S169 PolarHBondContact O-N 3.17Å; G166-S169 PolarHBondContact O-OG 3.12Å; G167-S169 PolarHBondContact O-N 3.15Å; G167-S169 VanDerWaalsContact O-N 3.12Å; S169-V171 PolarHBondContact O-N 3.39Å
170G72.5Confident74.5Confident13 Ų13115.4 Ų115.413%0.13462%0.615CS.*  trans-70.4114.6-169.600000112.7N150 G166 G167 F168 A172N150-G170 PolarHBondContact ND2-O 3.11Å; G166-G170 WeakPolarHBondContact O-CA 3.44Å; G166-G170 PolarHBondContact O-N 3.44Å; G167-G170 PolarHBondContact O-N 2.69Å; G167-G170 VanDerWaalsContact O-N 3.1Å; F168-G170 VanDerWaalsContact C-N 3.31Å; G170-A172 PolarHBondContact O-N 3.17Å
171V73.1Confident74.7Confident126 Ų126117.6 Ų117.676%0.76462%0.617SS**PPolyproline II helixtrans-72.6128.7-179.9-173.20000111S169 K173S169-V171 PolarHBondContact O-N 3.39Å; V171-K173 PolarHBondContact O-N 2.74Å
172A71.2Confident74.9Confident56 Ų56118.4 Ų118.446%0.46363%0.632SS.*PPolyproline II helixtrans-63119.2171.300000110.5N150 G170N150-A172 WeakPolarHBondContact ND2-CA 3.29Å; N150-A172 WeakPolarHBondContact ND2-CB 3.4Å; N150-A172 PolarHBondContact ND2-N 3.12Å; N150-A172 VanDerWaalsContact OD1-CB 3.3Å; N150-A172 WeakPolarHBondContact OD1-CB 3.41Å; G170-A172 PolarHBondContact O-N 3.17Å
173K75.5Confident75.4Confident177 Ų177117 Ų11777%0.7763%0.629SS**PPolyproline II helixtrans-94.1138.4168.5-65-180-175.5170.80108.7V171V171-K173 PolarHBondContact O-N 2.74Å
174A75.9Confident76.2Confident94 Ų94121.3 Ų121.378%0.77766%0.658SS**PPolyproline II helixtrans-60.9137.2170.900000109.8R176A174-R176 PolarHBondContact O-N 2.83Å
175E77Confident77.1Confident151 Ų151117.9 Ų117.971%0.70665%0.651SS**PPolyproline II helixtrans-60.8125.6174.2-169.7175.317700108.6K178E175-K178 WeakPolarHBondContact OE1-CE 3.47Å; E175-K178 IonicContact OE1-NZ 3.05Å
176R79.7Confident78.3Confident222 Ų222112.6 Ų112.684%0.83863%0.627SS**PPolyproline II helixtrans-67.6130.8175.9-69.1-174.2179.3-170.70.3107.8A174 K178A174-R176 PolarHBondContact O-N 2.83Å; R176-K178 PolarHBondContact O-N 2.88Å; R176-K178 VanDerWaalsContact O-N 3.11Å
177P80.7Confident79.4Confident119 Ų119119.8 Ų119.877%0.77365%0.653SS**PPolyproline II helixtrans-53.5123.1175.7-2331.6000109.5V179P177-V179 PolarHBondContact O-N 2.81Å; P177-V179 VanDerWaalsContact O-N 3.08Å
178K83.9Confident80.3Confident168 Ų168121.9 Ų121.973%0.7367%0.666SS**  trans-64.5112.1172.5-67.4172.8-172.8164.90106.5E175 R176 M180E175-K178 WeakPolarHBondContact OE1-CE 3.47Å; E175-K178 IonicContact OE1-NZ 3.05Å; R176-K178 PolarHBondContact O-N 2.88Å; R176-K178 VanDerWaalsContact O-N 3.11Å; K178-M180 VanDerWaalsContact C-N 3.35Å; K178-M180 PolarHBondContact O-N 3.46Å
179V83.1Confident81.1Confident140 Ų140123 Ų12385%0.84868%0.675SS**  trans-66.2101.6173.4-177.80000106.3P177P177-V179 PolarHBondContact O-N 2.81Å; P177-V179 VanDerWaalsContact O-N 3.08Å
180M82Confident81.8Confident157 Ų157119.3 Ų119.377%0.77365%0.649SS**PPolyproline II helixtrans-70.3135171.9-70.1-169.867.200107.9K178K178-M180 VanDerWaalsContact C-N 3.35Å; K178-M180 PolarHBondContact O-N 3.46Å
181P83.1Confident82.8Confident115 Ų115122.2 Ų122.275%0.74766%0.659SS**PPolyproline II helixtrans-60145.2171.427.5-33.5000109.2E183P181-E183 PolarHBondContact O-N 3.32Å
182D81Confident83.8Confident162 Ų162117.1 Ų117.187%0.86663%0.632SS**PPolyproline II helixtrans-58.7137.2172.7-70.1-37.1000109.7
183E82.5Confident84.9Confident169 Ų169115.2 Ų115.279%0.7962%0.615SS**PPolyproline II helixtrans-60.5145.5176-68.5-178.5174.100110.6P181P181-E183 PolarHBondContact O-N 3.32Å
184P84.4Confident85.8Confident114 Ų114106.8 Ų106.874%0.7458%0.578SS**PPolyproline II helixtrans-59.5144.2178.425.2-33.7000110.8
185P84.1Confident86.7Confident114 Ų114108.5 Ų108.574%0.7457%0.568SS**PPolyproline II helixtrans-57.1145.9178.2-24.433.6000112.4M187P185-M187 WeakPolarHBondContact O-CG 3.24Å; P185-M187 PolarHBondContact O-N 3.34Å
186N87.9Confident87.5Confident52 Ų52105.8 Ų105.828%0.27855%0.554SS.*PPolyproline II helixtrans-62.1119.4172.6-176.4-7.1000109.7T188 N208 N210 I212N186-T188 VanDerWaalsContact C-N 3.34Å; N186-T188 VanDerWaalsContact OD1-CB 3.3Å; N186-T188 WeakPolarHBondContact OD1-CB 3.38Å; N186-T188 PolarHBondContact OD1-N 3.22Å; N186-T188 PolarHBondContact OD1-OG1 2.92Å; N186-N208 PolarHBondContact ND2-O 2.8Å; N186-N208 VanDerWaalsContact ND2-O 3.13Å; N186-N210 WeakPolarHBondContact CB-O 3.43Å; N186-N210 PolarHBondContact ND2-O 3.13Å; N186-I212 HydrophobicContact CB-CD1 4.46Å; N186-I212 HydrophobicContact CB-CG1 4.01Å
187M87Confident88.2Confident183 Ų18395.3 Ų95.390%0.90152%0.515SS*.  trans-92.612.9-176.1-58.3-176.968.700113.4P185 D189P185-M187 WeakPolarHBondContact O-CG 3.24Å; P185-M187 PolarHBondContact O-N 3.34Å; M187-D189 PolarHBondContact O-N 2.77Å
188T90.3Very high88.9Confident47 Ų4795.4 Ų95.429%0.28851%0.505SS..  trans-63.2123.4-179.4-59.70000110.9N186 V190 L207 N208 L209N186-T188 VanDerWaalsContact C-N 3.34Å; N186-T188 VanDerWaalsContact OD1-CB 3.3Å; N186-T188 WeakPolarHBondContact OD1-CB 3.38Å; N186-T188 PolarHBondContact OD1-N 3.22Å; N186-T188 PolarHBondContact OD1-OG1 2.92Å; T188-V190 PolarHBondContact O-N 2.87Å; T188-V190 VanDerWaalsContact O-N 3.12Å; T188-L207 HydrophobicContact CG2-CD1 4.2Å; T188-N208 PolarHBondContact OG1-O 3.48Å; T188-L209 HydrophobicContact CG2-CD2 3.96Å
189D91.3Very high89.4Confident102 Ų10291.3 Ų91.355%0.54550%0.497SS..  trans-72.5103.3175.2177.710.6000110.4M187 E191 G192 S193M187-D189 PolarHBondContact O-N 2.77Å; D189-E191 PolarHBondContact OD1-N 3.38Å; D189-E191 VanDerWaalsContact OD1-N 3.13Å; D189-G192 VanDerWaalsContact CG-N 3.29Å; D189-G192 PolarHBondContact OD1-N 3.47Å; D189-G192 VanDerWaalsContact OD2-CA 3.28Å; D189-G192 WeakPolarHBondContact OD2-CA 3.28Å; D189-G192 PolarHBondContact OD2-N 3.29Å; D189-S193 VanDerWaalsContact O-CB 3.24Å; D189-S193 WeakPolarHBondContact O-CB 3.41Å; D189-S193 PolarHBondContact O-N 2.79Å; D189-S193 PolarHBondContact O-OG 2.76Å
190V92.5Very high89.9Confident25 Ų2587.2 Ų87.215%0.15247%0.471CS..Hα-helixtrans-64-43.8-178.8-173.20000111.3T188 S193 I194 L209 I212 V219T188-V190 PolarHBondContact O-N 2.87Å; T188-V190 VanDerWaalsContact O-N 3.12Å; V190-S193 PolarHBondContact O-N 2.9Å; V190-I194 HydrophobicContact CG1-CD1 4.3Å; V190-I194 WeakPolarHBondContact O-CG1 3.31Å; V190-I194 PolarHBondContact O-N 3.11Å; V190-L209 HydrophobicContact CG2-CD2 4.23Å; V190-I212 HydrophobicContact CG2-CD1 3.9Å; V190-I212 HydrophobicContact CG2-CG2 4.25Å; V190-V219 HydrophobicContact CG1-CG1 3.59Å
191E93.3Very high90.3Very high74 Ų7481 Ų8135%0.34644%0.443SS..Hα-helixtrans-74.6-41.1-174.2-167.463.2-151.500110.9D189 S193 I194 K195 R222D189-E191 PolarHBondContact OD1-N 3.38Å; D189-E191 VanDerWaalsContact OD1-N 3.13Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 3.27Å; E191-I194 PolarHBondContact O-N 3.11Å; E191-K195 WeakPolarHBondContact O-CG 3.5Å; E191-K195 PolarHBondContact O-N 3.4Å; E191-K195 VanDerWaalsContact O-N 3.12Å; E191-R222 VanDerWaalsContact CD-NH1 3.28Å; E191-R222 IonicContact OE1-CZ 3.64Å; E191-R222 IonicContact OE1-NH1 3.49Å; E191-R222 PolarHBondContact OE1-NH1 2.93Å; E191-R222 IonicContact OE1-NH2 2.74Å; E191-R222 IonicContact OE2-CZ 2.96Å; E191-R222 IonicContact OE2-NH1 2.88Å; E191-R222 PolarHBondContact OE2-NH1 3.36Å; E191-R222 IonicContact OE2-NH2 3.65Å; E191-R222 PolarHBondContact OE2-NH2 3.03Å
192G93Very high90.7Very high19 Ų1982.8 Ų82.820%0.19644%0.441CS..Hα-helixtrans-61.5-37.9170.500000112.5D189 K195 K196D189-G192 VanDerWaalsContact CG-N 3.29Å; D189-G192 PolarHBondContact OD1-N 3.47Å; D189-G192 VanDerWaalsContact OD2-CA 3.28Å; D189-G192 WeakPolarHBondContact OD2-CA 3.28Å; D189-G192 PolarHBondContact OD2-N 3.29Å; G192-K195 PolarHBondContact O-N 2.84Å; G192-K196 WeakPolarHBondContact O-CG 3.33Å; G192-K196 PolarHBondContact O-N 3.13Å
193S93.8Very high91.1Very high15 Ų1582.4 Ų82.411%0.10543%0.434CS..Hα-helixtrans-65-42.4176.1-61.80000112.1D189 V190 E191 K195 K196 L197 L207D189-S193 VanDerWaalsContact O-CB 3.24Å; D189-S193 WeakPolarHBondContact O-CB 3.41Å; D189-S193 PolarHBondContact O-N 2.79Å; D189-S193 PolarHBondContact O-OG 2.76Å; V190-S193 PolarHBondContact O-N 2.9Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 3.27Å; S193-K195 PolarHBondContact O-N 3.2Å; S193-K196 PolarHBondContact O-N 3.3Å; S193-L197 WeakPolarHBondContact O-CG 3.48Å; S193-L197 PolarHBondContact O-N 2.68Å; S193-L207 WeakPolarHBondContact OG-CD1 3.27Å
194I95.1Very high91.5Very high1 Ų175.5 Ų75.51%0.00540%0.402CS..Hα-helixtrans-60.9-45.5175.9-69.2168.4000110.7V190 E191 K196 L197 E198 V219 R222 L223 A226V190-I194 HydrophobicContact CG1-CD1 4.3Å; V190-I194 WeakPolarHBondContact O-CG1 3.31Å; V190-I194 PolarHBondContact O-N 3.11Å; E191-I194 PolarHBondContact O-N 3.11Å; I194-K196 VanDerWaalsContact C-N 3.3Å; I194-K196 PolarHBondContact O-N 3.25Å; I194-L197 WeakPolarHBondContact O-CA 3.36Å; I194-L197 WeakPolarHBondContact O-CB 3.28Å; I194-L197 PolarHBondContact O-N 3.01Å; I194-E198 HydrophobicContact CG2-CG 4.36Å; I194-E198 WeakPolarHBondContact O-CG 3.33Å; I194-E198 PolarHBondContact O-N 3.12Å; I194-V219 HydrophobicContact CD1-CG1 3.68Å; I194-R222 HydrophobicContact CG2-CB 4.47Å; I194-L223 HydrophobicContact CD1-CB 4.3Å; I194-L223 HydrophobicContact CG1-CB 4.29Å; I194-L223 HydrophobicContact CG1-CD1 3.95Å; I194-A226 HydrophobicContact CG2-CB 4.49Å
195K95.2Very high92Very high129 Ų12973 Ų7356%0.56139%0.385SS*.Hα-helixtrans-60-39.5176.5-71.1176.2-179.3175.30112.6E191 G192 S193 L197 E198 S199E191-K195 WeakPolarHBondContact O-CG 3.5Å; E191-K195 PolarHBondContact O-N 3.4Å; E191-K195 VanDerWaalsContact O-N 3.12Å; G192-K195 PolarHBondContact O-N 2.84Å; S193-K195 PolarHBondContact O-N 3.2Å; K195-L197 VanDerWaalsContact C-N 3.33Å; K195-E198 PolarHBondContact O-N 3.29Å; K195-S199 PolarHBondContact O-N 3.42Å; K195-S199 PolarHBondContact O-OG 2.98Å
196K93.7Very high92.6Very high95 Ų9575.2 Ų75.241%0.41338%0.379SS..Hα-helixtrans-66.1-34.5174.5-74-176.2178.7-163.50112.6G192 S193 I194 S199 N200 S201 L204G192-K196 WeakPolarHBondContact O-CG 3.33Å; G192-K196 PolarHBondContact O-N 3.13Å; S193-K196 PolarHBondContact O-N 3.3Å; I194-K196 VanDerWaalsContact C-N 3.3Å; I194-K196 PolarHBondContact O-N 3.25Å; K196-S199 PolarHBondContact O-OG 3.13Å; K196-N200 PolarHBondContact O-N 3.29Å; K196-S201 WeakPolarHBondContact O-CB 3.43Å; K196-S201 PolarHBondContact O-N 2.99Å; K196-L204 HydrophobicContact CB-CD2 3.86Å
197L94.5Very high93Very high2 Ų273 Ų731%0.0137%0.367CS..Hα-helixtrans-69-42.1174-70.1172.2000111.6S193 I194 K195 S199 N200 L204 L207 L223 A226 L227 N230 L233S193-L197 WeakPolarHBondContact O-CG 3.48Å; S193-L197 PolarHBondContact O-N 2.68Å; I194-L197 WeakPolarHBondContact O-CA 3.36Å; I194-L197 WeakPolarHBondContact O-CB 3.28Å; I194-L197 PolarHBondContact O-N 3.01Å; K195-L197 VanDerWaalsContact C-N 3.33Å; L197-S199 VanDerWaalsContact C-N 3.34Å; L197-N200 PolarHBondContact O-N 3.37Å; L197-N200 VanDerWaalsContact O-N 3.12Å; L197-L204 HydrophobicContact CD2-CD2 3.65Å; L197-L204 HydrophobicContact CD2-CG 4.34Å; L197-L204 HydrophobicContact CG-CD2 3.68Å; L197-L207 HydrophobicContact CD1-CD2 3.81Å; L197-L223 HydrophobicContact CD1-CD1 3.43Å; L197-L223 VanDerWaalsContact CD1-CD1 3.43Å; L197-A226 HydrophobicContact CB-CB 3.92Å; L197-L227 HydrophobicContact CD1-CD2 3.91Å; L197-L227 HydrophobicContact CD1-CG 4.13Å; L197-L227 HydrophobicContact CD2-CD2 3.87Å; L197-L227 HydrophobicContact CG-CD2 4.47Å; L197-N230 WeakPolarHBondContact CA-ND2 3.48Å; L197-N230 PolarHBondContact O-ND2 2.78Å; L197-L233 HydrophobicContact CD2-CB 3.85Å; L197-L233 HydrophobicContact CD2-CD1 4.22Å; L197-L233 HydrophobicContact CD2-CD2 4.11Å; L197-L233 HydrophobicContact CD2-CG 4.27Å
198E94.6Very high93.4Very high120 Ų12067.9 Ų67.956%0.56134%0.343SS*.Hα-helixtrans-63.5-37.9176.3-70.7175.6162.800112.3I194 K195 N200 A226I194-E198 HydrophobicContact CG2-CG 4.36Å; I194-E198 WeakPolarHBondContact O-CG 3.33Å; I194-E198 PolarHBondContact O-N 3.12Å; K195-E198 PolarHBondContact O-N 3.29Å; E198-N200 PolarHBondContact O-N 2.57Å; E198-A226 HydrophobicContact CG-CB 3.67Å
199S94.7Very high93.6Very high83 Ų8365.7 Ų65.758%0.5833%0.33SS*.THydrogen-bonded Turntrans-80.32.1175690000114.2K195 K196 L197 S201K195-S199 PolarHBondContact O-N 3.42Å; K195-S199 PolarHBondContact O-OG 2.98Å; K196-S199 PolarHBondContact O-OG 3.13Å; L197-S199 VanDerWaalsContact C-N 3.34Å; S199-S201 VanDerWaalsContact C-N 3.26Å; S199-S201 PolarHBondContact O-N 3.06Å
200N92.9Very high93.8Very high54 Ų5462.6 Ų62.629%0.28931%0.313SS..THydrogen-bonded Turntrans52.342.4-178.4-157.134.8000113.5K196 L197 E198 E202 N230 T231 Q232K196-N200 PolarHBondContact O-N 3.29Å; L197-N200 PolarHBondContact O-N 3.37Å; L197-N200 VanDerWaalsContact O-N 3.12Å; E198-N200 PolarHBondContact O-N 2.57Å; N200-E202 PolarHBondContact O-N 2.96Å; N200-N230 PolarHBondContact OD1-ND2 2.81Å; N200-T231 PolarHBondContact ND2-OG1 3.19Å; N200-T231 PolarHBondContact OD1-N 2.85Å; N200-T231 PolarHBondContact OD1-OG1 2.74Å; N200-Q232 WeakPolarHBondContact OD1-CG 3.15Å
201S92.4Very high93.7Very high26 Ų2666.2 Ų66.218%0.18233%0.331CS..  trans-60.3127.5-177.8-178.90000112K196 S199 E203 L204 Q232K196-S201 WeakPolarHBondContact O-CB 3.43Å; K196-S201 PolarHBondContact O-N 2.99Å; S199-S201 VanDerWaalsContact C-N 3.26Å; S199-S201 PolarHBondContact O-N 3.06Å; S201-E203 PolarHBondContact O-N 3.17Å; S201-L204 PolarHBondContact O-N 3.37Å; S201-Q232 WeakPolarHBondContact O-CB 3.32Å
202E90.3Very high93.6Very high152 Ų15263.4 Ų63.471%0.7132%0.319SS*.THydrogen-bonded Turntrans-66.2-22.1178.6-60.8-174.8169.100113.2N200N200-E202 PolarHBondContact O-N 2.96Å
203E89.7Confident93.2Very high155 Ų15568 Ų6872%0.72433%0.333SS*.THydrogen-bonded Turntrans-71.5-32.1179.7-62-178.6169.500112.2S201 T205S201-E203 PolarHBondContact O-N 3.17Å; E203-T205 PolarHBondContact O-N 3.05Å
204L91.9Very high92.6Very high23 Ų2373.5 Ų73.512%0.1237%0.367CS..  trans-88.877.6-172.7-170.763.3000110.7K196 L197 S201 L207 L233K196-L204 HydrophobicContact CB-CD2 3.86Å; L197-L204 HydrophobicContact CD2-CD2 3.65Å; L197-L204 HydrophobicContact CD2-CG 4.34Å; L197-L204 HydrophobicContact CG-CD2 3.68Å; S201-L204 PolarHBondContact O-N 3.37Å; L204-L207 HydrophobicContact CD1-CD1 4.46Å; L204-L233 HydrophobicContact CG-CD1 4.04Å; L204-L233 WeakPolarHBondContact O-CD1 3.48Å
205T94.4Very high92.4Very high62 Ų6274.2 Ų74.238%0.3837%0.37SS..SBendtrans-89.6-24.3177.356.30000113.2E203 T234 E235E203-T205 PolarHBondContact O-N 3.05Å; T205-T234 PolarHBondContact O-N 3.2Å; T205-T234 PolarHBondContact O-OG1 3.27Å; T205-E235 PolarHBondContact O-N 2.92Å
206R96Very high92.3Very high161 Ų16170.5 Ų70.561%0.60836%0.361SS*.EExtended strand (participates in β ladder)trans-136.3131.2-180-55.9-174.9177.1-168.4-15110.3E235R206-E235 WeakPolarHBondContact CA-O 3.46Å; R206-E235 HydrophobicContact CB-CB 4.24Å; R206-E235 WeakPolarHBondContact CD-OE2 3.24Å; R206-E235 HydrophobicContact CG-CB 3.98Å; R206-E235 HydrophobicContact CG-CG 3.98Å; R206-E235 IonicContact CZ-OE1 3.67Å; R206-E235 IonicContact CZ-OE2 2.68Å; R206-E235 VanDerWaalsContact NE-CD 3.27Å; R206-E235 IonicContact NE-OE1 3.7Å; R206-E235 PolarHBondContact NE-OE1 2.83Å; R206-E235 IonicContact NE-OE2 2.68Å; R206-E235 PolarHBondContact NE-OE2 3.14Å; R206-E235 IonicContact NH1-OE1 3.22Å; R206-E235 IonicContact NH1-OE2 3.02Å; R206-E235 IonicContact NH2-OE1 2.84Å; R206-E235 PolarHBondContact NH2-OE1 2.99Å
207L96.4Very high92.2Very high4 Ų468.3 Ų68.32%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-124.1116179.6-179.957.3000109.3T188 S193 L197 L204 L209 L223 L233 E235 L236 H237T188-L207 HydrophobicContact CG2-CD1 4.2Å; S193-L207 WeakPolarHBondContact OG-CD1 3.27Å; L197-L207 HydrophobicContact CD1-CD2 3.81Å; L204-L207 HydrophobicContact CD1-CD1 4.46Å; L207-L209 HydrophobicContact CD1-CD2 3.77Å; L207-L209 HydrophobicContact CD1-CG 4.25Å; L207-L209 HydrophobicContact CD2-CD1 4.24Å; L207-L209 HydrophobicContact CD2-CD2 4.5Å; L207-L209 HydrophobicContact CD2-CG 4.37Å; L207-L209 HydrophobicContact CG-CD1 4.39Å; L207-L209 HydrophobicContact CG-CD2 4.07Å; L207-L209 HydrophobicContact CG-CG 3.99Å; L207-L223 HydrophobicContact CD2-CD1 3.9Å; L207-L233 HydrophobicContact CB-CD1 3.67Å; L207-L233 HydrophobicContact CB-CD2 4.04Å; L207-E235 PolarHBondContact N-O 3.26Å; L207-L236 HydrophobicContact CB-CD1 4.17Å; L207-L236 HydrophobicContact CD2-CD1 4Å; L207-L236 HydrophobicContact CG-CD1 4.11Å; L207-H237 PolarHBondContact O-N 3.22Å
208N95.3Very high92.2Very high77 Ų7774.8 Ų74.841%0.41239%0.39SS..EExtended strand (participates in β ladder)trans-111.3103.3-179.6-177.65.3000110.9N186 T188 N210N186-N208 PolarHBondContact ND2-O 2.8Å; N186-N208 VanDerWaalsContact ND2-O 3.13Å; T188-N208 PolarHBondContact OG1-O 3.48Å; N208-N210 WeakPolarHBondContact OD1-CB 3.37Å; N208-N210 PolarHBondContact OD1-N 3.46Å; N208-N210 PolarHBondContact OD1-ND2 3.32Å
209L95.5Very high92.3Very high1 Ų170 Ų701%0.00537%0.37CS..  trans-10516.4175.8-52179.7000112T188 V190 L207 I212 I215 L223 H237 M238 T241T188-L209 HydrophobicContact CG2-CD2 3.96Å; V190-L209 HydrophobicContact CG2-CD2 4.23Å; L207-L209 HydrophobicContact CD1-CD2 3.77Å; L207-L209 HydrophobicContact CD1-CG 4.25Å; L207-L209 HydrophobicContact CD2-CD1 4.24Å; L207-L209 HydrophobicContact CD2-CD2 4.5Å; L207-L209 HydrophobicContact CD2-CG 4.37Å; L207-L209 HydrophobicContact CG-CD1 4.39Å; L207-L209 HydrophobicContact CG-CD2 4.07Å; L207-L209 HydrophobicContact CG-CG 3.99Å; L209-I212 HydrophobicContact CB-CD1 4.31Å; L209-I212 HydrophobicContact CD2-CD1 4.18Å; L209-I212 PolarHBondContact O-N 2.95Å; L209-I215 HydrophobicContact CB-CD1 4.22Å; L209-I215 HydrophobicContact CD1-CD1 4.31Å; L209-L223 HydrophobicContact CD1-CD2 3.86Å; L209-H237 WeakPolarHBondContact CA-O 3.3Å; L209-H237 PolarHBondContact N-O 3.45Å; L209-M238 HydrophobicContact CB-CG 4.12Å; L209-M238 HydrophobicContact CD1-CE 4.2Å; L209-M238 HydrophobicContact CD1-CG 4.15Å; L209-M238 HydrophobicContact CD1-SD 4.24Å; L209-M238 HydrophobicContact CG-CG 4.49Å; L209-T241 WeakPolarHBondContact O-CG2 3.32Å
210N94.4Very high92.3Very high37 Ų3766.1 Ų66.120%0.19834%0.342CS..THydrogen-bonded Turntrans-56.4143-178.8-67.4-9.9000111.2N186 N208 I212 H237 M238 A239N186-N210 WeakPolarHBondContact CB-O 3.43Å; N186-N210 PolarHBondContact ND2-O 3.13Å; N208-N210 WeakPolarHBondContact OD1-CB 3.37Å; N208-N210 PolarHBondContact OD1-N 3.46Å; N208-N210 PolarHBondContact OD1-ND2 3.32Å; N210-I212 PolarHBondContact O-N 3.38Å; N210-I212 VanDerWaalsContact O-N 3.13Å; N210-H237 VanDerWaalsContact OD1-CB 3.32Å; N210-H237 WeakPolarHBondContact OD1-CB 3.49Å; N210-H237 PolarHBondContact OD1-O 3.06Å; N210-M238 PolarHBondContact OD1-N 2.97Å; N210-A239 VanDerWaalsContact CA-O 3.32Å; N210-A239 WeakPolarHBondContact CA-O 2.99Å; N210-A239 HydrophobicContact CB-CB 4.47Å; N210-A239 WeakPolarHBondContact OD1-CB 3.49Å; N210-A239 PolarHBondContact OD1-N 3.01Å
211N91.8Very high92.5Very high100 Ų10069.3 Ų69.354%0.53536%0.355SS..THydrogen-bonded Turntrans62.68.5178.4-60.8-44.2000115.9K213 A239 A240N211-K213 PolarHBondContact O-N 3.25Å; N211-A239 PolarHBondContact N-O 3.01Å; N211-A240 WeakPolarHBondContact OD1-CB 3.32Å
212I91Very high92.7Very high15 Ų1572.1 Ų72.18%0.07736%0.362CS..  trans-84.493172.2-54.3179.3000108.6N186 V190 L209 N210 T214 I215N186-I212 HydrophobicContact CB-CD1 4.46Å; N186-I212 HydrophobicContact CB-CG1 4.01Å; V190-I212 HydrophobicContact CG2-CD1 3.9Å; V190-I212 HydrophobicContact CG2-CG2 4.25Å; L209-I212 HydrophobicContact CB-CD1 4.31Å; L209-I212 HydrophobicContact CD2-CD1 4.18Å; L209-I212 PolarHBondContact O-N 2.95Å; N210-I212 PolarHBondContact O-N 3.38Å; N210-I212 VanDerWaalsContact O-N 3.13Å; I212-T214 VanDerWaalsContact C-N 3.26Å; I212-T214 PolarHBondContact O-N 3.5Å; I212-I215 HydrophobicContact CB-CD1 4.15Å; I212-I215 HydrophobicContact CB-CG1 4.21Å; I212-I215 HydrophobicContact CG2-CD1 4.21Å; I212-I215 HydrophobicContact CG2-CG1 3.76Å; I212-I215 WeakPolarHBondContact O-CG1 3.49Å
213K83.2Confident93Very high115 Ų11565 Ų6550%0.533%0.329SS..THydrogen-bonded Turntrans-80.5-2.9-175.6-61.8175.7-175.5169.40114.2N211 R242N211-K213 PolarHBondContact O-N 3.25Å; K213-R242 HydrophobicContact CB-CG 4.18Å; K213-R242 HydrophobicContact CG-CG 4.15Å
214T82.6Confident93.3Very high132 Ų13257.6 Ų57.681%0.8129%0.294SS*.THydrogen-bonded Turntrans-99.513.6-17349.40000113.4I212 S216I212-T214 VanDerWaalsContact C-N 3.26Å; I212-T214 PolarHBondContact O-N 3.5Å; T214-S216 PolarHBondContact O-N 3.46Å
215I89.7Confident93.5Very high15 Ų1559.3 Ų59.38%0.07731%0.312CS..  trans-77.7120.7-179.5-54.2178.2000109.5L209 I212 V219 V220 M238 T241L209-I215 HydrophobicContact CB-CD1 4.22Å; L209-I215 HydrophobicContact CD1-CD1 4.31Å; I212-I215 HydrophobicContact CB-CD1 4.15Å; I212-I215 HydrophobicContact CB-CG1 4.21Å; I212-I215 HydrophobicContact CG2-CD1 4.21Å; I212-I215 HydrophobicContact CG2-CG1 3.76Å; I212-I215 WeakPolarHBondContact O-CG1 3.49Å; I215-V219 HydrophobicContact CG2-CB 3.96Å; I215-V219 HydrophobicContact CG2-CG1 3.8Å; I215-V220 HydrophobicContact CG2-CG2 3.56Å; I215-M238 HydrophobicContact CD1-CE 4.09Å; I215-T241 HydrophobicContact CD1-CG2 3.97Å
216S92.7Very high93.6Very high52 Ų5256.8 Ų56.836%0.36430%0.297SS..  trans-81159.7175.372.40000111.9T214 E218 V219 V220T214-S216 PolarHBondContact O-N 3.46Å; S216-E218 PolarHBondContact O-N 3.31Å; S216-V219 WeakPolarHBondContact O-CB 3.43Å; S216-V219 PolarHBondContact O-N 3.07Å; S216-V219 VanDerWaalsContact O-N 3.11Å; S216-V219 VanDerWaalsContact OG-CG2 3.24Å; S216-V219 WeakPolarHBondContact OG-CG2 3.35Å; S216-V219 PolarHBondContact OG-N 3.08Å; S216-V220 PolarHBondContact O-N 3.1Å; S216-V220 VanDerWaalsContact O-N 3.11Å
217A93.3Very high93.6Very high49 Ų4949.2 Ų49.241%0.40527%0.268SS..Hα-helixtrans-58.6-37.4178.300000112.3V219 V220 Q221 M247A217-V219 VanDerWaalsContact C-N 3.35Å; A217-V219 PolarHBondContact O-N 2.88Å; A217-V220 PolarHBondContact O-N 2.96Å; A217-Q221 PolarHBondContact O-N 2.91Å; A217-M247 HydrophobicContact CB-CE 4.12Å; A217-M247 HydrophobicContact CB-CG 3.88Å
218E94.6Very high93.6Very high137 Ų13750.7 Ų50.764%0.6428%0.278SS*.Hα-helixtrans-63.5-39.2176.5-62.9-179.5171.900112.4S216 Q221 R222S216-E218 PolarHBondContact O-N 3.31Å; E218-Q221 PolarHBondContact O-N 3.32Å; E218-R222 WeakPolarHBondContact O-CG 3.49Å; E218-R222 PolarHBondContact O-N 2.97Å
219V95Very high93.4Very high21 Ų2155.7 Ų55.713%0.12730%0.296CS..Hα-helixtrans-65.8-42176.3175.30000110V190 I194 I215 S216 A217 R222 L223V190-V219 HydrophobicContact CG1-CG1 3.59Å; I194-V219 HydrophobicContact CD1-CG1 3.68Å; I215-V219 HydrophobicContact CG2-CB 3.96Å; I215-V219 HydrophobicContact CG2-CG1 3.8Å; S216-V219 WeakPolarHBondContact O-CB 3.43Å; S216-V219 PolarHBondContact O-N 3.07Å; S216-V219 VanDerWaalsContact O-N 3.11Å; S216-V219 VanDerWaalsContact OG-CG2 3.24Å; S216-V219 WeakPolarHBondContact OG-CG2 3.35Å; S216-V219 PolarHBondContact OG-N 3.08Å; A217-V219 VanDerWaalsContact C-N 3.35Å; A217-V219 PolarHBondContact O-N 2.88Å; V219-R222 PolarHBondContact O-N 3.15Å; V219-L223 VanDerWaalsContact O-CB 3.29Å; V219-L223 WeakPolarHBondContact O-CB 3.41Å; V219-L223 PolarHBondContact O-N 3.12Å
220V96.5Very high93.4Very high0 Ų055.8 Ų55.80%030%0.297CS..Hα-helixtrans-62.6-42.7175.1179.70000111.5I215 S216 A217 L223 C224 L243 M247 F251I215-V220 HydrophobicContact CG2-CG2 3.56Å; S216-V220 PolarHBondContact O-N 3.1Å; S216-V220 VanDerWaalsContact O-N 3.11Å; A217-V220 PolarHBondContact O-N 2.96Å; V220-L223 WeakPolarHBondContact O-CB 3.29Å; V220-L223 PolarHBondContact O-N 3.37Å; V220-C224 PolarHBondContact O-N 3Å; V220-C224 PolarHBondContact O-SG 2.93Å; V220-L243 HydrophobicContact CG1-CD2 4.43Å; V220-L243 HydrophobicContact CG2-CD2 3.83Å; V220-M247 VanDerWaalsContact CG1-O 3.25Å; V220-M247 WeakPolarHBondContact CG1-O 3.21Å; V220-F251 HydrophobicContact CG1-CD2 4.27Å; V220-F251 HydrophobicContact CG1-CE2 3.54Å; V220-F251 HydrophobicContact CG1-CZ 4.43Å
221Q96.3Very high93.4Very high121 Ų12157.3 Ų57.357%0.56531%0.307SS*.Hα-helixtrans-62.6-45177.3-174.5-179.6-2.600111.6A217 E218 C224 A225 P250A217-Q221 PolarHBondContact O-N 2.91Å; E218-Q221 PolarHBondContact O-N 3.32Å; Q221-C224 PolarHBondContact O-N 3.05Å; Q221-A225 WeakPolarHBondContact O-CB 3.25Å; Q221-A225 PolarHBondContact O-N 3.31Å; Q221-P250 HydrophobicContact CB-CG 4.1Å; Q221-P250 HydrophobicContact CG-CB 4.47Å; Q221-P250 HydrophobicContact CG-CG 4.1Å
222R96.1Very high93.6Very high85 Ų8555 Ų5532%0.32129%0.293SS..Hα-helixtrans-63.4-42.4175.3-73-172.4-65.8122-8.1111.9E191 I194 E218 V219 C224 A225 A226E191-R222 VanDerWaalsContact CD-NH1 3.28Å; E191-R222 IonicContact OE1-CZ 3.64Å; E191-R222 IonicContact OE1-NH1 3.49Å; E191-R222 PolarHBondContact OE1-NH1 2.93Å; E191-R222 IonicContact OE1-NH2 2.74Å; E191-R222 IonicContact OE2-CZ 2.96Å; E191-R222 IonicContact OE2-NH1 2.88Å; E191-R222 PolarHBondContact OE2-NH1 3.36Å; E191-R222 IonicContact OE2-NH2 3.65Å; E191-R222 PolarHBondContact OE2-NH2 3.03Å; I194-R222 HydrophobicContact CG2-CB 4.47Å; E218-R222 WeakPolarHBondContact O-CG 3.49Å; E218-R222 PolarHBondContact O-N 2.97Å; V219-R222 PolarHBondContact O-N 3.15Å; R222-C224 PolarHBondContact O-N 2.78Å; R222-A225 PolarHBondContact O-N 3.38Å; R222-A226 WeakPolarHBondContact O-CB 3.37Å; R222-A226 PolarHBondContact O-N 3.13Å
223L96.4Very high93.9Very high2 Ų254.4 Ų54.41%0.0129%0.29CS..Hα-helixtrans-56.6-49.2174.3-179.169.8000111.1I194 L197 L207 L209 V219 V220 A225 A226 L227 M238I194-L223 HydrophobicContact CD1-CB 4.3Å; I194-L223 HydrophobicContact CG1-CB 4.29Å; I194-L223 HydrophobicContact CG1-CD1 3.95Å; L197-L223 HydrophobicContact CD1-CD1 3.43Å; L197-L223 VanDerWaalsContact CD1-CD1 3.43Å; L207-L223 HydrophobicContact CD2-CD1 3.9Å; L209-L223 HydrophobicContact CD1-CD2 3.86Å; V219-L223 VanDerWaalsContact O-CB 3.29Å; V219-L223 WeakPolarHBondContact O-CB 3.41Å; V219-L223 PolarHBondContact O-N 3.12Å; V220-L223 WeakPolarHBondContact O-CB 3.29Å; V220-L223 PolarHBondContact O-N 3.37Å; L223-A225 PolarHBondContact O-N 3.44Å; L223-A226 PolarHBondContact O-N 2.95Å; L223-L227 HydrophobicContact CD1-CD1 4.33Å; L223-L227 HydrophobicContact CG-CD1 4.03Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 VanDerWaalsContact O-CG 3.25Å; L223-L227 WeakPolarHBondContact O-CG 3.25Å; L223-L227 PolarHBondContact O-N 3.19Å; L223-M238 HydrophobicContact CD2-CE 4.05Å; L223-M238 HydrophobicContact CD2-SD 3.69Å
224C97Very high94.6Very high1 Ų150.6 Ų50.61%0.00728%0.276CS..Hα-helixtrans-64.9-39.2177.8-66.10000112.3V220 Q221 R222 L227 T228 P250 F251 M254V220-C224 PolarHBondContact O-N 3Å; V220-C224 PolarHBondContact O-SG 2.93Å; Q221-C224 PolarHBondContact O-N 3.05Å; R222-C224 PolarHBondContact O-N 2.78Å; C224-L227 PolarHBondContact O-N 3.31Å; C224-T228 PolarHBondContact O-N 3.12Å; C224-T228 PolarHBondContact O-OG1 3.24Å; C224-P250 HydrophobicContact CB-CB 3.68Å; C224-F251 WeakPolarHBondContact SG-CD2 3.39Å; C224-M254 HydrophobicContact CB-CB 4.06Å; C224-M254 HydrophobicContact CB-CG 4.49Å; C224-M254 WeakPolarHBondContact O-CG 3.03Å
225A96.3Very high95.3Very high59 Ų5946 Ų4649%0.48825%0.246SC..Hα-helixtrans-64.3-41.8176.500000112Q221 R222 L223 T228Q221-A225 WeakPolarHBondContact O-CB 3.25Å; Q221-A225 PolarHBondContact O-N 3.31Å; R222-A225 PolarHBondContact O-N 3.38Å; L223-A225 PolarHBondContact O-N 3.44Å; A225-T228 WeakPolarHBondContact O-CB 3.21Å; A225-T228 PolarHBondContact O-N 3.27Å
226A95.8Very high95.7Very high8 Ų845.2 Ų45.27%0.06624%0.242CC..Hα-helixtrans-64.2-46.7174.400000111I194 L197 E198 R222 L223 T228 K229 N230I194-A226 HydrophobicContact CG2-CB 4.49Å; L197-A226 HydrophobicContact CB-CB 3.92Å; E198-A226 HydrophobicContact CG-CB 3.67Å; R222-A226 WeakPolarHBondContact O-CB 3.37Å; R222-A226 PolarHBondContact O-N 3.13Å; L223-A226 PolarHBondContact O-N 2.95Å; A226-T228 VanDerWaalsContact C-N 3.26Å; A226-T228 PolarHBondContact O-N 2.95Å; A226-K229 PolarHBondContact O-N 3.48Å; A226-N230 PolarHBondContact O-N 2.69Å; A226-N230 VanDerWaalsContact O-N 3.14Å
227L95.9Very high95.9Very high2 Ų244.6 Ų44.61%0.0123%0.233CC..Hα-helixtrans-62.6-31.8178-73.3171.4000113L197 L223 C224 K229 N230 L233 L236 M254 N258L197-L227 HydrophobicContact CD1-CD2 3.91Å; L197-L227 HydrophobicContact CD1-CG 4.13Å; L197-L227 HydrophobicContact CD2-CD2 3.87Å; L197-L227 HydrophobicContact CG-CD2 4.47Å; L223-L227 HydrophobicContact CD1-CD1 4.33Å; L223-L227 HydrophobicContact CG-CD1 4.03Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 VanDerWaalsContact O-CG 3.25Å; L223-L227 WeakPolarHBondContact O-CG 3.25Å; L223-L227 PolarHBondContact O-N 3.19Å; C224-L227 PolarHBondContact O-N 3.31Å; L227-K229 PolarHBondContact O-N 3.35Å; L227-K229 VanDerWaalsContact O-N 3.09Å; L227-N230 PolarHBondContact O-N 3.13Å; L227-L233 HydrophobicContact CD2-CB 4.09Å; L227-L233 HydrophobicContact CD2-CD2 3.39Å; L227-L233 HydrophobicContact CD2-CG 4.34Å; L227-L236 HydrophobicContact CD1-CD2 3.73Å; L227-M254 HydrophobicContact CB-CG 3.7Å; L227-M254 HydrophobicContact CB-SD 3.51Å; L227-M254 VanDerWaalsContact CB-SD 3.51Å; L227-M254 HydrophobicContact CD1-SD 3.72Å; L227-M254 HydrophobicContact CG-SD 4.25Å; L227-N258 PolarHBondContact O-ND2 2.7Å
228T95.8Very high96.1Very high36 Ų3642.2 Ų42.222%0.22121%0.214CC..Hα-helixtrans-54.8-32.5177.8-63.10000112.7C224 A225 A226 K257C224-T228 PolarHBondContact O-N 3.12Å; C224-T228 PolarHBondContact O-OG1 3.24Å; A225-T228 WeakPolarHBondContact O-CB 3.21Å; A225-T228 PolarHBondContact O-N 3.27Å; A226-T228 VanDerWaalsContact C-N 3.26Å; A226-T228 PolarHBondContact O-N 2.95Å; T228-K257 HydrophobicContact CG2-CB 3.82Å; T228-K257 HydrophobicContact CG2-CD 3.55Å; T228-K257 HydrophobicContact CG2-CG 4.33Å
229K92.4Very high96.1Very high181 Ų18136.2 Ų36.279%0.78719%0.188SC*.Hα-helixtrans-105-14.2-179.4-60.7-179.8-175.8175.60113.7A226 L227A226-K229 PolarHBondContact O-N 3.48Å; L227-K229 PolarHBondContact O-N 3.35Å; L227-K229 VanDerWaalsContact O-N 3.09Å
230N94.6Very high96Very high4 Ų436.3 Ų36.32%0.02119%0.19CC..  trans-71.4138.6-175.3-172.5-83.6000111.5L197 N200 A226 L227 Q232 L233 N258L197-N230 WeakPolarHBondContact CA-ND2 3.48Å; L197-N230 PolarHBondContact O-ND2 2.78Å; N200-N230 PolarHBondContact OD1-ND2 2.81Å; A226-N230 PolarHBondContact O-N 2.69Å; A226-N230 VanDerWaalsContact O-N 3.14Å; L227-N230 PolarHBondContact O-N 3.13Å; N230-Q232 PolarHBondContact OD1-N 2.95Å; N230-L233 PolarHBondContact OD1-N 2.9Å; N230-N258 PolarHBondContact O-ND2 3.32Å
231T94.8Very high95.9Very high69 Ų6936.4 Ų36.442%0.42319%0.191SC..SBendtrans-120.113.9-178.468.60000114.1N200N200-T231 PolarHBondContact ND2-OG1 3.19Å; N200-T231 PolarHBondContact OD1-N 2.85Å; N200-T231 PolarHBondContact OD1-OG1 2.74Å
232Q96Very high95.7Very high52 Ų5237.4 Ų37.424%0.24319%0.19CC..SBendtrans-118.6-35.8-175.2-58.8-62.6-11.800112.7N200 S201 N230 T234N200-Q232 WeakPolarHBondContact OD1-CG 3.15Å; S201-Q232 WeakPolarHBondContact O-CB 3.32Å; N230-Q232 PolarHBondContact OD1-N 2.95Å; Q232-T234 PolarHBondContact O-N 2.77Å
233L96.9Very high95.7Very high1 Ų133.4 Ų33.41%0.00518%0.175CC..  trans-71.1120.6-177.7-165.779.9000110.8L197 L204 L207 L227 N230 L236 L261L197-L233 HydrophobicContact CD2-CB 3.85Å; L197-L233 HydrophobicContact CD2-CD1 4.22Å; L197-L233 HydrophobicContact CD2-CD2 4.11Å; L197-L233 HydrophobicContact CD2-CG 4.27Å; L204-L233 HydrophobicContact CG-CD1 4.04Å; L204-L233 WeakPolarHBondContact O-CD1 3.48Å; L207-L233 HydrophobicContact CB-CD1 3.67Å; L207-L233 HydrophobicContact CB-CD2 4.04Å; L227-L233 HydrophobicContact CD2-CB 4.09Å; L227-L233 HydrophobicContact CD2-CD2 3.39Å; L227-L233 HydrophobicContact CD2-CG 4.34Å; N230-L233 PolarHBondContact OD1-N 2.9Å; L233-L236 HydrophobicContact CD2-CB 4.13Å; L233-L236 HydrophobicContact CD2-CD1 4.46Å; L233-L261 HydrophobicContact CD2-CD1 4.2Å; L233-L261 HydrophobicContact CG-CD1 4.43Å
234T97.1Very high95.5Very high35 Ų3536 Ų3622%0.21519%0.191CC..  trans-105.8-25.7179.659.40000113T205 Q232 K262 V263T205-T234 PolarHBondContact O-N 3.2Å; T205-T234 PolarHBondContact O-OG1 3.27Å; Q232-T234 PolarHBondContact O-N 2.77Å; T234-K262 PolarHBondContact O-N 3.36Å; T234-V263 PolarHBondContact O-N 3.21Å
235E98.2Very high95.4Very high35 Ų3538.5 Ų38.516%0.16420%0.204CC..EExtended strand (participates in β ladder)trans-132.8124.3-177.7-49.5-175.4-165.500111.4T205 R206 L207 H237 V263T205-E235 PolarHBondContact O-N 2.92Å; R206-E235 WeakPolarHBondContact CA-O 3.46Å; R206-E235 HydrophobicContact CB-CB 4.24Å; R206-E235 WeakPolarHBondContact CD-OE2 3.24Å; R206-E235 HydrophobicContact CG-CB 3.98Å; R206-E235 HydrophobicContact CG-CG 3.98Å; R206-E235 IonicContact CZ-OE1 3.67Å; R206-E235 IonicContact CZ-OE2 2.68Å; R206-E235 VanDerWaalsContact NE-CD 3.27Å; R206-E235 IonicContact NE-OE1 3.7Å; R206-E235 PolarHBondContact NE-OE1 2.83Å; R206-E235 IonicContact NE-OE2 2.68Å; R206-E235 PolarHBondContact NE-OE2 3.14Å; R206-E235 IonicContact NH1-OE1 3.22Å; R206-E235 IonicContact NH1-OE2 3.02Å; R206-E235 IonicContact NH2-OE1 2.84Å; R206-E235 PolarHBondContact NH2-OE1 2.99Å; L207-E235 PolarHBondContact N-O 3.26Å; E235-H237 IonicContact OE2-NE2 3.4Å; E235-H237 PolarHBondContact OE2-NE2 2.97Å; E235-V263 WeakPolarHBondContact CA-O 3.12Å; E235-V263 HydrophobicContact CB-CB 3.99Å; E235-V263 HydrophobicContact CB-CG2 4.4Å; E235-V263 HydrophobicContact CG-CB 3.88Å; E235-V263 HydrophobicContact CG-CG2 3.72Å
236L97.9Very high95.2Very high0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-121119.5173.3177.963.2000109.5L207 L227 L233 M238 F251 L261 V263 L264 N265L207-L236 HydrophobicContact CB-CD1 4.17Å; L207-L236 HydrophobicContact CD2-CD1 4Å; L207-L236 HydrophobicContact CG-CD1 4.11Å; L227-L236 HydrophobicContact CD1-CD2 3.73Å; L233-L236 HydrophobicContact CD2-CB 4.13Å; L233-L236 HydrophobicContact CD2-CD1 4.46Å; L236-M238 HydrophobicContact CD1-CG 3.89Å; L236-M238 HydrophobicContact CD1-SD 4.1Å; L236-M238 HydrophobicContact CD2-CG 4.46Å; L236-M238 HydrophobicContact CD2-SD 3.99Å; L236-M238 HydrophobicContact CG-CG 4.01Å; L236-M238 HydrophobicContact CG-SD 4.17Å; L236-F251 HydrophobicContact CD2-CE1 4.01Å; L236-L261 HydrophobicContact CB-CD1 3.92Å; L236-L261 HydrophobicContact CB-CD2 4.37Å; L236-V263 PolarHBondContact N-O 3.16Å; L236-L264 HydrophobicContact CB-CD1 4.34Å; L236-L264 HydrophobicContact CD2-CD1 3.97Å; L236-L264 HydrophobicContact CG-CD1 4.3Å; L236-N265 PolarHBondContact O-N 2.97Å
237H97.8Very high95.2Very high38 Ų3840.5 Ų40.518%0.17621%0.214CC..EExtended strand (participates in β ladder)trans-116.9119.7177.2-57.4-91.2000110L207 L209 N210 E235 N265L207-H237 PolarHBondContact O-N 3.22Å; L209-H237 WeakPolarHBondContact CA-O 3.3Å; L209-H237 PolarHBondContact N-O 3.45Å; N210-H237 VanDerWaalsContact OD1-CB 3.32Å; N210-H237 WeakPolarHBondContact OD1-CB 3.49Å; N210-H237 PolarHBondContact OD1-O 3.06Å; E235-H237 IonicContact OE2-NE2 3.4Å; E235-H237 PolarHBondContact OE2-NE2 2.97Å; H237-N265 HydrophobicContact CB-CB 4.36Å
238M96.3Very high95.2Very high0 Ų040.4 Ų40.40%021%0.213CC..  trans-136.142.1-179.4-59.5-17564.400110.9L209 N210 I215 L223 L236 T241 L243 F251 N265 L266 N269L209-M238 HydrophobicContact CB-CG 4.12Å; L209-M238 HydrophobicContact CD1-CE 4.2Å; L209-M238 HydrophobicContact CD1-CG 4.15Å; L209-M238 HydrophobicContact CD1-SD 4.24Å; L209-M238 HydrophobicContact CG-CG 4.49Å; N210-M238 PolarHBondContact OD1-N 2.97Å; I215-M238 HydrophobicContact CD1-CE 4.09Å; L223-M238 HydrophobicContact CD2-CE 4.05Å; L223-M238 HydrophobicContact CD2-SD 3.69Å; L236-M238 HydrophobicContact CD1-CG 3.89Å; L236-M238 HydrophobicContact CD1-SD 4.1Å; L236-M238 HydrophobicContact CD2-CG 4.46Å; L236-M238 HydrophobicContact CD2-SD 3.99Å; L236-M238 HydrophobicContact CG-CG 4.01Å; L236-M238 HydrophobicContact CG-SD 4.17Å; M238-T241 HydrophobicContact CB-CG2 4.07Å; M238-T241 PolarHBondContact O-OG1 2.97Å; M238-L243 HydrophobicContact CB-CD1 4.32Å; M238-L243 HydrophobicContact CE-CD1 4.22Å; M238-L243 HydrophobicContact CE-CD2 4.2Å; M238-F251 HydrophobicContact SD-CZ 3.79Å; M238-N265 CarbonylContact C-O 3.41Å; M238-N265 WeakPolarHBondContact CA-O 3.5Å; M238-N265 PolarHBondContact N-O 3.47Å; M238-L266 HydrophobicContact CB-CD2 4Å; M238-N269 PolarHBondContact O-ND2 2.87Å
239A94.6Very high95.1Very high11 Ų1144.4 Ų44.49%0.09123%0.23CC..THydrogen-bonded Turntrans-68.1139.7175.900000111.2N210 N211 T241 E267N210-A239 VanDerWaalsContact CA-O 3.32Å; N210-A239 WeakPolarHBondContact CA-O 2.99Å; N210-A239 HydrophobicContact CB-CB 4.47Å; N210-A239 WeakPolarHBondContact OD1-CB 3.49Å; N210-A239 PolarHBondContact OD1-N 3.01Å; N211-A239 PolarHBondContact N-O 3.01Å; A239-T241 VanDerWaalsContact C-N 3.26Å; A239-T241 PolarHBondContact O-N 3.34Å; A239-E267 CarbonylContact C-O 3.6Å; A239-E267 WeakPolarHBondContact CA-O 3.33Å; A239-E267 HydrophobicContact CB-CB 4.22Å
240A93.3Very high95.4Very high22 Ų2237.3 Ų37.318%0.18220%0.202CC..THydrogen-bonded Turntrans54.737177.300000114.9N211 E267 S268N211-A240 WeakPolarHBondContact OD1-CB 3.32Å; A240-E267 PolarHBondContact N-O 3.44Å; A240-S268 WeakPolarHBondContact CA-O 3.42Å
241T94.2Very high95.5Very high2 Ų237.1 Ų37.11%0.01220%0.201CC..SBendtrans-94.44.6178.150.60000113.4L209 I215 M238 A239 L243 N269L209-T241 WeakPolarHBondContact O-CG2 3.32Å; I215-T241 HydrophobicContact CD1-CG2 3.97Å; M238-T241 HydrophobicContact CB-CG2 4.07Å; M238-T241 PolarHBondContact O-OG1 2.97Å; A239-T241 VanDerWaalsContact C-N 3.26Å; A239-T241 PolarHBondContact O-N 3.34Å; T241-L243 VanDerWaalsContact C-N 3.32Å; T241-L243 WeakPolarHBondContact OG1-CG 3.13Å; T241-N269 PolarHBondContact N-OD1 3.2Å; T241-N269 VanDerWaalsContact N-OD1 3.12Å; T241-N269 PolarHBondContact OG1-OD1 3.02Å
242R92.6Very high95.6Very high143 Ų14335.3 Ų35.354%0.5419%0.187SC..  trans62.333.2-176.3-54.5-171.5162.9159.6-5.8113.9K213 T244 N269 F270K213-R242 HydrophobicContact CB-CG 4.18Å; K213-R242 HydrophobicContact CG-CG 4.15Å; R242-T244 PolarHBondContact O-N 2.69Å; R242-N269 PolarHBondContact N-OD1 3.35Å; R242-F270 HydrophobicContact CB-CD2 4.24Å; R242-F270 HydrophobicContact CB-CE2 3.86Å; R242-F270 HydrophobicContact CG-CE2 3.96Å
243L95.3Very high95.6Very high1 Ų137.2 Ų37.21%0.00520%0.199CC..  trans-61.4132.4174.2-65.6170.2000110.5V220 M238 T241 M247 V248 L266 N269 F270 L271V220-L243 HydrophobicContact CG1-CD2 4.43Å; V220-L243 HydrophobicContact CG2-CD2 3.83Å; M238-L243 HydrophobicContact CB-CD1 4.32Å; M238-L243 HydrophobicContact CE-CD1 4.22Å; M238-L243 HydrophobicContact CE-CD2 4.2Å; T241-L243 VanDerWaalsContact C-N 3.32Å; T241-L243 WeakPolarHBondContact OG1-CG 3.13Å; L243-M247 HydrophobicContact CD2-CB 4.29Å; L243-V248 HydrophobicContact CB-CG1 3.96Å; L243-V248 HydrophobicContact CD1-CG1 4.19Å; L243-V248 HydrophobicContact CD2-CG1 4.46Å; L243-V248 HydrophobicContact CG-CG1 4.43Å; L243-L266 HydrophobicContact CD1-CD2 3.71Å; L243-N269 HydrophobicContact CB-CB 4.08Å; L243-N269 PolarHBondContact N-OD1 3.11Å; L243-F270 WeakPolarHBondContact O-CA 3.5Å; L243-F270 WeakPolarHBondContact O-CB 3.44Å; L243-F270 PolarHBondContact O-N 2.69Å; L243-L271 HydrophobicContact CB-CD2 4.25Å
244T93.6Very high95.5Very high57 Ų5737.2 Ų37.235%0.3520%0.199SC..BIsolated β-bridgetrans-108.2166.5174.763.20000110.1R242 A246 M247 V248R242-T244 PolarHBondContact O-N 2.69Å; T244-A246 VanDerWaalsContact C-N 3.3Å; T244-A246 PolarHBondContact O-N 3.47Å; T244-M247 HydrophobicContact CG2-SD 4.35Å; T244-M247 PolarHBondContact O-N 2.91Å; T244-M247 VanDerWaalsContact O-N 3.1Å; T244-M247 WeakPolarHBondContact OG1-CG 3.48Å; T244-V248 PolarHBondContact O-N 2.96Å
245N93.5Very high95.6Very high52 Ų5235.7 Ų35.728%0.27819%0.19SC..THydrogen-bonded Turntrans-50.8-46179-67.2-16.1000113.2M247 V248 T272 I275N245-M247 PolarHBondContact O-N 3.28Å; N245-V248 WeakPolarHBondContact O-CG2 3.23Å; N245-V248 PolarHBondContact O-N 3.19Å; N245-T272 VanDerWaalsContact ND2-CG2 3.34Å; N245-T272 WeakPolarHBondContact ND2-CG2 3.34Å; N245-T272 PolarHBondContact ND2-OG1 3.29Å; N245-T272 PolarHBondContact OD1-N 3.08Å; N245-T272 PolarHBondContact OD1-OG1 3.04Å; N245-T272 VanDerWaalsContact OD1-OG1 3.06Å; N245-I275 HydrophobicContact CB-CD1 4.04Å; N245-I275 HydrophobicContact CB-CG1 3.7Å; N245-I275 VanDerWaalsContact CG-CG1 3.44Å; N245-I275 VanDerWaalsContact OD1-CG1 3.23Å; N245-I275 WeakPolarHBondContact OD1-CG1 3.44Å
246A93.8Very high95.4Very high69 Ų6939.1 Ų39.157%0.5721%0.206SC*.G310 helixtrans-67.9-35.3-179.100000112.7T244 V248T244-A246 VanDerWaalsContact C-N 3.3Å; T244-A246 PolarHBondContact O-N 3.47Å; A246-V248 PolarHBondContact O-N 2.98Å
247M94.5Very high95.3Very high40 Ų4045.3 Ų45.320%0.19723%0.233CC..G310 helixtrans-67.3-26.3179.6-72.6172151.300112.8A217 V220 L243 T244 N245 P250A217-M247 HydrophobicContact CB-CE 4.12Å; A217-M247 HydrophobicContact CB-CG 3.88Å; V220-M247 VanDerWaalsContact CG1-O 3.25Å; V220-M247 WeakPolarHBondContact CG1-O 3.21Å; L243-M247 HydrophobicContact CD2-CB 4.29Å; T244-M247 HydrophobicContact CG2-SD 4.35Å; T244-M247 PolarHBondContact O-N 2.91Å; T244-M247 VanDerWaalsContact O-N 3.1Å; T244-M247 WeakPolarHBondContact OG1-CG 3.48Å; N245-M247 PolarHBondContact O-N 3.28Å; M247-P250 WeakPolarHBondContact O-CD 3.27Å
248V95.3Very high95.2Very high0 Ų044 Ų440%023%0.227CC..G310 helixtrans-93.5-4-176.1-59.80000114.5L243 T244 N245 A246 P250 F251 L271 I275L243-V248 HydrophobicContact CB-CG1 3.96Å; L243-V248 HydrophobicContact CD1-CG1 4.19Å; L243-V248 HydrophobicContact CD2-CG1 4.46Å; L243-V248 HydrophobicContact CG-CG1 4.43Å; T244-V248 PolarHBondContact O-N 2.96Å; N245-V248 WeakPolarHBondContact O-CG2 3.23Å; N245-V248 PolarHBondContact O-N 3.19Å; A246-V248 PolarHBondContact O-N 2.98Å; V248-P250 VanDerWaalsContact C-N 3.28Å; V248-F251 HydrophobicContact CB-CD2 4.01Å; V248-F251 HydrophobicContact CG1-CD2 4.25Å; V248-F251 HydrophobicContact CG1-CE2 4.34Å; V248-F251 VanDerWaalsContact O-CB 3.26Å; V248-F251 WeakPolarHBondContact O-CB 3.28Å; V248-F251 PolarHBondContact O-N 2.9Å; V248-L271 HydrophobicContact CB-CD2 4.39Å; V248-L271 HydrophobicContact CG1-CD2 3.61Å; V248-L271 HydrophobicContact CG2-CD2 3.86Å; V248-I275 HydrophobicContact CG2-CG2 3.41Å; V248-I275 VanDerWaalsContact CG2-CG2 3.41Å
249E95.7Very high95.2Very high120 Ų12047.1 Ų47.156%0.56125%0.246SC*.Hα-helixtrans-52-41176.2-64.6-176.3-16900113.6F251 F252E249-F251 PolarHBondContact O-N 3.16Å; E249-F251 VanDerWaalsContact O-N 3.14Å; E249-F252 HydrophobicContact CB-CD2 4.42Å; E249-F252 HydrophobicContact CB-CE2 4.28Å; E249-F252 HydrophobicContact CG-CE2 4.18Å; E249-F252 WeakPolarHBondContact O-CB 3.42Å; E249-F252 VanDerWaalsContact O-CD2 3.26Å; E249-F252 WeakPolarHBondContact O-CD2 3.17Å; E249-F252 WeakPolarHBondContact O-CG 3.37Å; E249-F252 PolarHBondContact O-N 2.9Å
250P97Very high95.3Very high33 Ų3349.3 Ų49.321%0.21426%0.256CS..Hα-helixtrans-62.1-20.9176-24.336.3000114.7Q221 C224 M247 V248 F252 M254Q221-P250 HydrophobicContact CB-CG 4.1Å; Q221-P250 HydrophobicContact CG-CB 4.47Å; Q221-P250 HydrophobicContact CG-CG 4.1Å; C224-P250 HydrophobicContact CB-CB 3.68Å; M247-P250 WeakPolarHBondContact O-CD 3.27Å; V248-P250 VanDerWaalsContact C-N 3.28Å; P250-F252 PolarHBondContact O-N 3Å; P250-M254 WeakPolarHBondContact O-CB 3.34Å; P250-M254 PolarHBondContact O-N 3.25Å
251F97.4Very high95.4Very high0 Ų048.5 Ų48.50%025%0.248CC..Hα-helixtrans-66.1-29.4175.1-78.6-103000111.6V220 C224 L236 M238 V248 E249 M254 L255 L264 L266 L279V220-F251 HydrophobicContact CG1-CD2 4.27Å; V220-F251 HydrophobicContact CG1-CE2 3.54Å; V220-F251 HydrophobicContact CG1-CZ 4.43Å; C224-F251 WeakPolarHBondContact SG-CD2 3.39Å; L236-F251 HydrophobicContact CD2-CE1 4.01Å; M238-F251 HydrophobicContact SD-CZ 3.79Å; V248-F251 HydrophobicContact CB-CD2 4.01Å; V248-F251 HydrophobicContact CG1-CD2 4.25Å; V248-F251 HydrophobicContact CG1-CE2 4.34Å; V248-F251 VanDerWaalsContact O-CB 3.26Å; V248-F251 WeakPolarHBondContact O-CB 3.28Å; V248-F251 PolarHBondContact O-N 2.9Å; E249-F251 PolarHBondContact O-N 3.16Å; E249-F251 VanDerWaalsContact O-N 3.14Å; F251-M254 HydrophobicContact CD1-CE 4.2Å; F251-M254 PolarHBondContact O-N 3.22Å; F251-L255 HydrophobicContact CB-CD1 4.42Å; F251-L255 WeakPolarHBondContact O-CB 3.32Å; F251-L255 WeakPolarHBondContact O-CG 3.47Å; F251-L255 PolarHBondContact O-N 3.22Å; F251-L264 HydrophobicContact CD1-CD1 4.48Å; F251-L264 HydrophobicContact CD1-CD2 4.45Å; F251-L264 HydrophobicContact CE1-CD1 4.02Å; F251-L266 HydrophobicContact CE1-CD1 4.48Å; F251-L266 HydrophobicContact CE1-CD2 4.08Å; F251-L266 HydrophobicContact CZ-CD2 4.09Å; F251-L279 HydrophobicContact CB-CD2 4.07Å
252F96.7Very high95.6Very high30 Ų3053.6 Ų53.613%0.13227%0.27CS..Hα-helixtrans-63.3-48.5-177.2-54.4-36000111.3E249 P250 L255 Q256 I275 R278 L279 S282E249-F252 HydrophobicContact CB-CD2 4.42Å; E249-F252 HydrophobicContact CB-CE2 4.28Å; E249-F252 HydrophobicContact CG-CE2 4.18Å; E249-F252 WeakPolarHBondContact O-CB 3.42Å; E249-F252 VanDerWaalsContact O-CD2 3.26Å; E249-F252 WeakPolarHBondContact O-CD2 3.17Å; E249-F252 WeakPolarHBondContact O-CG 3.37Å; E249-F252 PolarHBondContact O-N 2.9Å; P250-F252 PolarHBondContact O-N 3Å; F252-L255 PolarHBondContact O-N 2.92Å; F252-Q256 VanDerWaalsContact O-CG 3.29Å; F252-Q256 WeakPolarHBondContact O-CG 3.43Å; F252-Q256 PolarHBondContact O-N 3.08Å; F252-Q256 VanDerWaalsContact O-N 3.1Å; F252-I275 HydrophobicContact CZ-CD1 4.01Å; F252-I275 HydrophobicContact CZ-CG2 4.3Å; F252-R278 HydrophobicContact CD1-CB 4.14Å; F252-R278 HydrophobicContact CE1-CB 3.55Å; F252-R278 HydrophobicContact CE2-CB 4.21Å; F252-R278 HydrophobicContact CZ-CB 3.6Å; F252-R278 HydrophobicContact CZ-CG 4.34Å; F252-L279 HydrophobicContact CD1-CD2 4.03Å; F252-L279 HydrophobicContact CE1-CD2 3.79Å; F252-L279 HydrophobicContact CE1-CG 3.94Å; F252-S282 WeakPolarHBondContact CA-OG 3.44Å; F252-S282 WeakPolarHBondContact CB-OG 3.5Å; F252-S282 PolarHBondContact O-OG 3.05Å
253D95.2Very high95.9Very high93 Ų9347.6 Ų47.650%0.49725%0.25SC..Hα-helixtrans-66.7-41.1177.3-76.9-7.5000111.8Q256 K257D253-Q256 PolarHBondContact O-N 2.94Å; D253-K257 WeakPolarHBondContact O-CG 3.43Å; D253-K257 PolarHBondContact O-N 2.89Å
254M96.6Very high96Very high0 Ų047.6 Ų47.60%025%0.249CC..Hα-helixtrans-63.9-44.9177.7178.7-129.158.800110.9C224 L227 P250 F251 Q256 K257 N258 L261C224-M254 HydrophobicContact CB-CB 4.06Å; C224-M254 HydrophobicContact CB-CG 4.49Å; C224-M254 WeakPolarHBondContact O-CG 3.03Å; L227-M254 HydrophobicContact CB-CG 3.7Å; L227-M254 HydrophobicContact CB-SD 3.51Å; L227-M254 VanDerWaalsContact CB-SD 3.51Å; L227-M254 HydrophobicContact CD1-SD 3.72Å; L227-M254 HydrophobicContact CG-SD 4.25Å; P250-M254 WeakPolarHBondContact O-CB 3.34Å; P250-M254 PolarHBondContact O-N 3.25Å; F251-M254 HydrophobicContact CD1-CE 4.2Å; F251-M254 PolarHBondContact O-N 3.22Å; M254-Q256 VanDerWaalsContact C-N 3.32Å; M254-Q256 PolarHBondContact O-N 2.81Å; M254-K257 PolarHBondContact O-N 2.92Å; M254-N258 HydrophobicContact CG-CB 4.49Å; M254-N258 VanDerWaalsContact O-CB 3.24Å; M254-N258 WeakPolarHBondContact O-CB 3.16Å; M254-N258 PolarHBondContact O-N 3.35Å; M254-L261 HydrophobicContact CE-CD2 4.36Å
255L97.4Very high96.2Very high4 Ų445.5 Ų45.52%0.02124%0.236CC..Hα-helixtrans-66.1-34.5-179.7-75.9171.1000112F251 F252 K257 L264 L279 I283 H285 I290F251-L255 HydrophobicContact CB-CD1 4.42Å; F251-L255 WeakPolarHBondContact O-CB 3.32Å; F251-L255 WeakPolarHBondContact O-CG 3.47Å; F251-L255 PolarHBondContact O-N 3.22Å; F252-L255 PolarHBondContact O-N 2.92Å; L255-K257 VanDerWaalsContact C-N 3.3Å; L255-K257 PolarHBondContact O-N 3.35Å; L255-L264 HydrophobicContact CD1-CD2 4.16Å; L255-L264 HydrophobicContact CD2-CD2 4.01Å; L255-L279 HydrophobicContact CD1-CD2 3.78Å; L255-I283 HydrophobicContact CB-CG2 4.03Å; L255-I283 HydrophobicContact CD1-CG2 3.87Å; L255-I283 HydrophobicContact CD2-CG2 3.79Å; L255-I283 HydrophobicContact CG-CG2 4.08Å; L255-H285 PolarHBondContact O-CE1 3.1Å; L255-I290 HydrophobicContact CD2-CD1 4.1Å; L255-I290 HydrophobicContact CD2-CG1 4.07Å
256Q95.8Very high96.4Very high107 Ų10743 Ų4350%0.522%0.223SC..Hα-helixtrans-70.5-24.5177.2-75.5177.5-0.500113.8F252 D253 M254F252-Q256 VanDerWaalsContact O-CG 3.29Å; F252-Q256 WeakPolarHBondContact O-CG 3.43Å; F252-Q256 PolarHBondContact O-N 3.08Å; F252-Q256 VanDerWaalsContact O-N 3.1Å; D253-Q256 PolarHBondContact O-N 2.94Å; M254-Q256 VanDerWaalsContact C-N 3.32Å; M254-Q256 PolarHBondContact O-N 2.81Å
257K95.4Very high96.5Very high130 Ų13042.1 Ų42.157%0.56521%0.207SC*.Hα-helixtrans-104.6-38.3-175.1-70172.1-175.8164.60112.8T228 D253 M254 L255T228-K257 HydrophobicContact CG2-CB 3.82Å; T228-K257 HydrophobicContact CG2-CD 3.55Å; T228-K257 HydrophobicContact CG2-CG 4.33Å; D253-K257 WeakPolarHBondContact O-CG 3.43Å; D253-K257 PolarHBondContact O-N 2.89Å; M254-K257 PolarHBondContact O-N 2.92Å; L255-K257 VanDerWaalsContact C-N 3.3Å; L255-K257 PolarHBondContact O-N 3.35Å
258N95.6Very high96.5Very high11 Ų1142.3 Ų42.36%0.05921%0.212CC..  trans-78.1126179.7-172.2-69.3000110.2L227 N230 M254 I260 L261L227-N258 PolarHBondContact O-ND2 2.7Å; N230-N258 PolarHBondContact O-ND2 3.32Å; M254-N258 HydrophobicContact CG-CB 4.49Å; M254-N258 VanDerWaalsContact O-CB 3.24Å; M254-N258 WeakPolarHBondContact O-CB 3.16Å; M254-N258 PolarHBondContact O-N 3.35Å; N258-I260 PolarHBondContact OD1-N 3.19Å; N258-L261 PolarHBondContact OD1-N 3.29Å
259T95.2Very high96.5Very high65 Ų6542.4 Ų42.440%0.39921%0.213SC..  trans-113.76.3-17856.70000112.7K287 G289T259-K287 VanDerWaalsContact CB-O 3.23Å; T259-K287 WeakPolarHBondContact CB-O 3.43Å; T259-K287 HydrophobicContact CG2-CB 3.8Å; T259-K287 WeakPolarHBondContact CG2-O 3.4Å; T259-G289 WeakPolarHBondContact O-CA 3.39Å
260I96.3Very high96.4Very high57 Ų5740.7 Ų40.729%0.29220%0.204SC..SBendtrans-106.7-35.9-171.2-58.2-59.7000112.1N258 K262N258-I260 PolarHBondContact OD1-N 3.19Å; I260-K262 WeakPolarHBondContact O-CG 3.44Å; I260-K262 PolarHBondContact O-N 3.39Å
261L97.1Very high96.3Very high4 Ų439.2 Ų39.22%0.02119%0.194CC..  trans-61.3125.2178.5-170.468.6000109.6L233 L236 M254 N258 L264 G289 I290L233-L261 HydrophobicContact CD2-CD1 4.2Å; L233-L261 HydrophobicContact CG-CD1 4.43Å; L236-L261 HydrophobicContact CB-CD1 3.92Å; L236-L261 HydrophobicContact CB-CD2 4.37Å; M254-L261 HydrophobicContact CE-CD2 4.36Å; N258-L261 PolarHBondContact OD1-N 3.29Å; L261-L264 HydrophobicContact CD2-CB 4.37Å; L261-L264 HydrophobicContact CD2-CD1 4.47Å; L261-G289 CarbonylContact O-C 3.55Å; L261-I290 HydrophobicContact CB-CD1 4.05Å; L261-I290 HydrophobicContact CD2-CD1 3.95Å; L261-I290 HydrophobicContact CG-CD1 3.83Å; L261-I290 VanDerWaalsContact O-CD1 3.25Å; L261-I290 WeakPolarHBondContact O-CD1 3.26Å; L261-I290 PolarHBondContact O-N 3.22Å
262K97.3Very high96.2Very high110 Ų11041.1 Ų41.148%0.47821%0.205SC..  trans-106.3-41.7-177.3-64.2-177.2-179173.30112.4T234 I260 G289 T291 D292T234-K262 PolarHBondContact O-N 3.36Å; I260-K262 WeakPolarHBondContact O-CG 3.44Å; I260-K262 PolarHBondContact O-N 3.39Å; K262-G289 WeakPolarHBondContact CA-O 3.5Å; K262-T291 PolarHBondContact O-N 3.02Å; K262-T291 PolarHBondContact O-OG1 2.96Å; K262-D292 PolarHBondContact O-N 3.36Å
263V98.4Very high96Very high17 Ų1739.7 Ų39.710%0.10320%0.199CC..EExtended strand (participates in β ladder)trans-113.9121.1-177.6-172.50000108.9T234 E235 L236 D292T234-V263 PolarHBondContact O-N 3.21Å; E235-V263 WeakPolarHBondContact CA-O 3.12Å; E235-V263 HydrophobicContact CB-CB 3.99Å; E235-V263 HydrophobicContact CB-CG2 4.4Å; E235-V263 HydrophobicContact CG-CB 3.88Å; E235-V263 HydrophobicContact CG-CG2 3.72Å; L236-V263 PolarHBondContact N-O 3.16Å; V263-D292 WeakPolarHBondContact CA-O 3.48Å; V263-D292 HydrophobicContact CB-CB 4.19Å; V263-D292 HydrophobicContact CG1-CB 3.96Å; V263-D292 HydrophobicContact CG2-CB 3.91Å
264L98.2Very high95.9Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-124.3118.6172.6175.261000109.3L236 F251 L255 L261 L266 I290 D292 L293 H294L236-L264 HydrophobicContact CB-CD1 4.34Å; L236-L264 HydrophobicContact CD2-CD1 3.97Å; L236-L264 HydrophobicContact CG-CD1 4.3Å; F251-L264 HydrophobicContact CD1-CD1 4.48Å; F251-L264 HydrophobicContact CD1-CD2 4.45Å; F251-L264 HydrophobicContact CE1-CD1 4.02Å; L255-L264 HydrophobicContact CD1-CD2 4.16Å; L255-L264 HydrophobicContact CD2-CD2 4.01Å; L261-L264 HydrophobicContact CD2-CB 4.37Å; L261-L264 HydrophobicContact CD2-CD1 4.47Å; L264-L266 HydrophobicContact CD1-CD1 4.36Å; L264-L266 HydrophobicContact CD1-CD2 3.92Å; L264-L266 HydrophobicContact CD1-CG 3.95Å; L264-L266 HydrophobicContact CD2-CD1 4.15Å; L264-L266 HydrophobicContact CD2-CG 4.46Å; L264-L266 HydrophobicContact CG-CD1 4.3Å; L264-L266 HydrophobicContact CG-CG 4.07Å; L264-I290 HydrophobicContact CB-CD1 4.04Å; L264-D292 PolarHBondContact N-O 3.21Å; L264-L293 HydrophobicContact CB-CD1 4.07Å; L264-L293 HydrophobicContact CD2-CD1 3.97Å; L264-L293 HydrophobicContact CG-CD1 4.13Å; L264-H294 PolarHBondContact O-N 2.87Å
265N98.2Very high95.8Very high14 Ų1440.2 Ų40.28%0.07521%0.205CC..EExtended strand (participates in β ladder)trans-117.8115.3176.1-174.3-4000112.2L236 H237 M238 E267 H294L236-N265 PolarHBondContact O-N 2.97Å; H237-N265 HydrophobicContact CB-CB 4.36Å; M238-N265 CarbonylContact C-O 3.41Å; M238-N265 WeakPolarHBondContact CA-O 3.5Å; M238-N265 PolarHBondContact N-O 3.47Å; N265-E267 VanDerWaalsContact OD1-CB 3.25Å; N265-E267 WeakPolarHBondContact OD1-CB 3.37Å; N265-E267 WeakPolarHBondContact OD1-CG 3.21Å; N265-E267 PolarHBondContact OD1-N 3.32Å; N265-H294 HydrophobicContact CB-CB 3.79Å; N265-H294 WeakPolarHBondContact OD1-CB 3.07Å
266L97Very high95.8Very high0 Ų040.1 Ų40.10%020%0.204CC..  trans-123.929.1176.5-52.5176.3000111.1M238 L243 F251 L264 N269 L271 L279 H294 L295 Q298M238-L266 HydrophobicContact CB-CD2 4Å; L243-L266 HydrophobicContact CD1-CD2 3.71Å; F251-L266 HydrophobicContact CE1-CD1 4.48Å; F251-L266 HydrophobicContact CE1-CD2 4.08Å; F251-L266 HydrophobicContact CZ-CD2 4.09Å; L264-L266 HydrophobicContact CD1-CD1 4.36Å; L264-L266 HydrophobicContact CD1-CD2 3.92Å; L264-L266 HydrophobicContact CD1-CG 3.95Å; L264-L266 HydrophobicContact CD2-CD1 4.15Å; L264-L266 HydrophobicContact CD2-CG 4.46Å; L264-L266 HydrophobicContact CG-CD1 4.3Å; L264-L266 HydrophobicContact CG-CG 4.07Å; L266-N269 VanDerWaalsContact C-ND2 3.31Å; L266-N269 PolarHBondContact O-ND2 3.27Å; L266-L271 HydrophobicContact CB-CD1 4.11Å; L266-L271 HydrophobicContact CD1-CD1 4.28Å; L266-L279 HydrophobicContact CD1-CD1 3.99Å; L266-H294 CarbonylContact C-O 3.53Å; L266-H294 PolarHBondContact N-O 3.14Å; L266-L295 HydrophobicContact CB-CD2 3.97Å; L266-L295 HydrophobicContact CD1-CD2 4.16Å; L266-L295 HydrophobicContact CG-CD2 4.41Å; L266-Q298 PolarHBondContact O-NE2 3.5Å
267E95.7Very high95.8Very high50 Ų5035.5 Ų35.523%0.23418%0.184CC..  trans-60.8156.3178.5-75.5171.6175.200112.9A239 A240 N265 N269 H294 A296A239-E267 CarbonylContact C-O 3.6Å; A239-E267 WeakPolarHBondContact CA-O 3.33Å; A239-E267 HydrophobicContact CB-CB 4.22Å; A240-E267 PolarHBondContact N-O 3.44Å; N265-E267 VanDerWaalsContact OD1-CB 3.25Å; N265-E267 WeakPolarHBondContact OD1-CB 3.37Å; N265-E267 WeakPolarHBondContact OD1-CG 3.21Å; N265-E267 PolarHBondContact OD1-N 3.32Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 3.32Å; E267-N269 PolarHBondContact O-ND2 3.01Å; E267-N269 VanDerWaalsContact O-ND2 3.15Å; E267-H294 HydrophobicContact CG-CB 3.88Å; E267-H294 PolarHBondContact N-O 2.58Å; E267-H294 WeakPolarHBondContact OE1-CB 3.3Å; E267-H294 IonicContact OE1-CG 3.42Å; E267-H294 IonicContact OE1-ND1 3.39Å; E267-H294 PolarHBondContact OE1-ND1 2.95Å; E267-A296 VanDerWaalsContact CA-O 3.28Å; E267-A296 WeakPolarHBondContact CA-O 3.48Å; E267-A296 HydrophobicContact CG-CB 4.23Å
268S94.7Very high95.9Very high44 Ų4435.8 Ų35.831%0.30818%0.181SC..SBendtrans60.537.3171.5-510000114.4A240 A296 N297A240-S268 WeakPolarHBondContact CA-O 3.42Å; S268-A296 PolarHBondContact N-O 3.49Å; S268-N297 WeakPolarHBondContact CA-O 3.4Å; S268-N297 PolarHBondContact OG-ND2 3.22Å
269N95.4Very high96Very high2 Ų235.3 Ų35.31%0.01118%0.178CC..SBendtrans-114.8-170.9178.4-75.5-59.9000111.7M238 T241 R242 L243 L266 E267 L271 Q298 R299M238-N269 PolarHBondContact O-ND2 2.87Å; T241-N269 PolarHBondContact N-OD1 3.2Å; T241-N269 VanDerWaalsContact N-OD1 3.12Å; T241-N269 PolarHBondContact OG1-OD1 3.02Å; R242-N269 PolarHBondContact N-OD1 3.35Å; L243-N269 HydrophobicContact CB-CB 4.08Å; L243-N269 PolarHBondContact N-OD1 3.11Å; L266-N269 VanDerWaalsContact C-ND2 3.31Å; L266-N269 PolarHBondContact O-ND2 3.27Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 3.32Å; E267-N269 PolarHBondContact O-ND2 3.01Å; E267-N269 VanDerWaalsContact O-ND2 3.15Å; N269-L271 HydrophobicContact CB-CG 4.13Å; N269-Q298 PolarHBondContact O-OE1 3.1Å; N269-Q298 VanDerWaalsContact O-OE1 3.08Å; N269-R299 PolarHBondContact O-N 3.26Å
270F94.4Very high96.1Very high84 Ų8432.3 Ų32.337%0.36816%0.16SC..BIsolated β-bridgetrans-104.939.6-179.8-57.8-88.8000111.2R242 L243 R299R242-F270 HydrophobicContact CB-CD2 4.24Å; R242-F270 HydrophobicContact CB-CE2 3.86Å; R242-F270 HydrophobicContact CG-CE2 3.96Å; L243-F270 WeakPolarHBondContact O-CA 3.5Å; L243-F270 WeakPolarHBondContact O-CB 3.44Å; L243-F270 PolarHBondContact O-N 2.69Å; F270-R299 HydrophobicContact CD1-CB 3.6Å; F270-R299 HydrophobicContact CD1-CG 3.81Å; F270-R299 HydrophobicContact CE1-CB 4.08Å; F270-R299 HydrophobicContact CE1-CG 4.05Å; F270-R299 HydrophobicContact CG-CB 4.41Å
271L94.9Very high96.1Very high1 Ų133.4 Ų33.41%0.00516%0.164CC..  trans-84.7133.2179.3-51.4-177.3000110.2L243 V248 L266 N269 I275 L276 L279 Q298L243-L271 HydrophobicContact CB-CD2 4.25Å; V248-L271 HydrophobicContact CB-CD2 4.39Å; V248-L271 HydrophobicContact CG1-CD2 3.61Å; V248-L271 HydrophobicContact CG2-CD2 3.86Å; L266-L271 HydrophobicContact CB-CD1 4.11Å; L266-L271 HydrophobicContact CD1-CD1 4.28Å; N269-L271 HydrophobicContact CB-CG 4.13Å; L271-I275 HydrophobicContact CB-CG2 4.45Å; L271-I275 HydrophobicContact CD2-CG2 4.33Å; L271-L276 HydrophobicContact CB-CD2 3.92Å; L271-L276 HydrophobicContact CD1-CD2 4.23Å; L271-L279 HydrophobicContact CD1-CD1 4.2Å; L271-Q298 HydrophobicContact CB-CG 4.37Å; L271-Q298 WeakPolarHBondContact O-CB 3.46Å
272T93.8Very high96.1Very high40 Ų4033.5 Ų33.525%0.24517%0.165CC..  trans-90.2160.6176.259.20000112N245 V274 I275 L276 Q300N245-T272 VanDerWaalsContact ND2-CG2 3.34Å; N245-T272 WeakPolarHBondContact ND2-CG2 3.34Å; N245-T272 PolarHBondContact ND2-OG1 3.29Å; N245-T272 PolarHBondContact OD1-N 3.08Å; N245-T272 PolarHBondContact OD1-OG1 3.04Å; N245-T272 VanDerWaalsContact OD1-OG1 3.06Å; T272-V274 PolarHBondContact O-N 3.49Å; T272-V274 VanDerWaalsContact O-N 3.13Å; T272-I275 WeakPolarHBondContact O-CB 3.35Å; T272-I275 PolarHBondContact O-N 3.44Å; T272-L276 WeakPolarHBondContact O-CG 3.45Å; T272-L276 PolarHBondContact O-N 2.87Å; T272-L276 VanDerWaalsContact O-N 3.12Å; T272-Q300 VanDerWaalsContact CB-OE1 3.26Å
273G92.9Very high96Very high0 Ų028.3 Ų28.30%014%0.142CC..Hα-helixtrans-55.2-32.8-179.700000114.9I275 L276 V277G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 3.18Å; G273-L276 PolarHBondContact O-N 3.49Å; G273-V277 WeakPolarHBondContact O-CG2 3.42Å; G273-V277 PolarHBondContact O-N 3.04Å; G273-V277 VanDerWaalsContact O-N 3.11Å
274V93.9Very high95.8Very high87 Ų8729.5 Ų29.553%0.52715%0.152SC..Hα-helixtrans-62.5-41.2175.6-179.70000111.3T272 V277 R278 I307T272-V274 PolarHBondContact O-N 3.49Å; T272-V274 VanDerWaalsContact O-N 3.13Å; V274-V277 WeakPolarHBondContact O-CB 3.49Å; V274-V277 PolarHBondContact O-N 3.14Å; V274-R278 WeakPolarHBondContact O-CG 3.25Å; V274-R278 PolarHBondContact O-N 3.35Å; V274-I307 HydrophobicContact CG2-CD1 4.23Å
275I95.3Very high95.6Very high18 Ų1832.2 Ų32.29%0.09216%0.164CC..Hα-helixtrans-71.3-37.4178.4-65.9-57.7000111.3N245 V248 F252 L271 T272 G273 V277 R278 L279N245-I275 HydrophobicContact CB-CD1 4.04Å; N245-I275 HydrophobicContact CB-CG1 3.7Å; N245-I275 VanDerWaalsContact CG-CG1 3.44Å; N245-I275 VanDerWaalsContact OD1-CG1 3.23Å; N245-I275 WeakPolarHBondContact OD1-CG1 3.44Å; V248-I275 HydrophobicContact CG2-CG2 3.41Å; V248-I275 VanDerWaalsContact CG2-CG2 3.41Å; F252-I275 HydrophobicContact CZ-CD1 4.01Å; F252-I275 HydrophobicContact CZ-CG2 4.3Å; L271-I275 HydrophobicContact CB-CG2 4.45Å; L271-I275 HydrophobicContact CD2-CG2 4.33Å; T272-I275 WeakPolarHBondContact O-CB 3.35Å; T272-I275 PolarHBondContact O-N 3.44Å; G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 3.18Å; I275-V277 VanDerWaalsContact C-N 3.27Å; I275-V277 PolarHBondContact O-N 2.68Å; I275-R278 PolarHBondContact O-N 2.77Å; I275-R278 VanDerWaalsContact O-N 3.15Å; I275-L279 HydrophobicContact CG2-CD1 4.29Å; I275-L279 HydrophobicContact CG2-CG 4.42Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 2.88Å
276L96.3Very high95.2Very high2 Ų239.9 Ų39.91%0.0120%0.199CC..Hα-helixtrans-60.7-39.5175.5-55.4-174.4000111.5L271 T272 G273 L279 L280 L295 Q298 L303 L311 L326L271-L276 HydrophobicContact CB-CD2 3.92Å; L271-L276 HydrophobicContact CD1-CD2 4.23Å; T272-L276 WeakPolarHBondContact O-CG 3.45Å; T272-L276 PolarHBondContact O-N 2.87Å; T272-L276 VanDerWaalsContact O-N 3.12Å; G273-L276 PolarHBondContact O-N 3.49Å; L276-L279 HydrophobicContact CD2-CD1 4.42Å; L276-L279 PolarHBondContact O-N 2.96Å; L276-L280 PolarHBondContact O-N 3.49Å; L276-L280 VanDerWaalsContact O-N 3.08Å; L276-L295 HydrophobicContact CD2-CB 4.16Å; L276-L295 HydrophobicContact CD2-CD1 4.15Å; L276-L295 HydrophobicContact CD2-CD2 4.28Å; L276-L295 HydrophobicContact CD2-CG 4.42Å; L276-Q298 HydrophobicContact CD1-CG 4.46Å; L276-L303 HydrophobicContact CD1-CD1 4.21Å; L276-L303 HydrophobicContact CD1-CD2 4.14Å; L276-L311 HydrophobicContact CB-CD2 3.99Å; L276-L326 HydrophobicContact CD1-CD1 3.8Å
277V96.9Very high95Very high10 Ų1047.8 Ų47.86%0.06123%0.234CC..Hα-helixtrans-59.8-50.3172.5169.90000110.4G273 V274 I275 L279 L280 E281 I307 N310 L311 L314G273-V277 WeakPolarHBondContact O-CG2 3.42Å; G273-V277 PolarHBondContact O-N 3.04Å; G273-V277 VanDerWaalsContact O-N 3.11Å; V274-V277 WeakPolarHBondContact O-CB 3.49Å; V274-V277 PolarHBondContact O-N 3.14Å; I275-V277 VanDerWaalsContact C-N 3.27Å; I275-V277 PolarHBondContact O-N 2.68Å; V277-L279 VanDerWaalsContact C-N 3.33Å; V277-L279 PolarHBondContact O-N 2.68Å; V277-L280 PolarHBondContact O-N 3.4Å; V277-L280 VanDerWaalsContact O-N 3.12Å; V277-E281 HydrophobicContact CG1-CG 4.37Å; V277-E281 WeakPolarHBondContact O-CG 3.41Å; V277-E281 PolarHBondContact O-N 3.04Å; V277-I307 HydrophobicContact CG2-CG2 4.08Å; V277-N310 VanDerWaalsContact CG1-ND2 3.28Å; V277-N310 WeakPolarHBondContact CG1-ND2 3.44Å; V277-N310 HydrophobicContact CG2-CB 4.37Å; V277-L311 HydrophobicContact CB-CD2 4.21Å; V277-L311 HydrophobicContact CG2-CD2 3.49Å; V277-L311 VanDerWaalsContact CG2-CD2 3.49Å; V277-L311 HydrophobicContact CG2-CG 3.82Å; V277-L314 HydrophobicContact CG1-CD1 3.87Å
278R97.2Very high94.9Very high135 Ų13545.7 Ų45.751%0.50922%0.224SC..Hα-helixtrans-60.7-39.4179.1-67.5-56.3-152.9117.96112.9F252 V274 I275 L280 E281 S282F252-R278 HydrophobicContact CD1-CB 4.14Å; F252-R278 HydrophobicContact CE1-CB 3.55Å; F252-R278 HydrophobicContact CE2-CB 4.21Å; F252-R278 HydrophobicContact CZ-CB 3.6Å; F252-R278 HydrophobicContact CZ-CG 4.34Å; V274-R278 WeakPolarHBondContact O-CG 3.25Å; V274-R278 PolarHBondContact O-N 3.35Å; I275-R278 PolarHBondContact O-N 2.77Å; I275-R278 VanDerWaalsContact O-N 3.15Å; R278-L280 VanDerWaalsContact C-N 3.34Å; R278-L280 PolarHBondContact O-N 2.85Å; R278-E281 WeakPolarHBondContact CD-OE2 3.35Å; R278-E281 IonicContact NE-OE2 3.82Å; R278-E281 PolarHBondContact O-N 3.11Å; R278-S282 PolarHBondContact O-N 3.43Å; R278-S282 PolarHBondContact O-OG 3.02Å
279L97.2Very high94.8Very high1 Ų144.4 Ų44.41%0.00522%0.218CC..Hα-helixtrans-60.7-43.6174.6-73.5172.1000111.3F251 F252 L255 L266 L271 I275 L276 V277 S282 I283 L295F251-L279 HydrophobicContact CB-CD2 4.07Å; F252-L279 HydrophobicContact CD1-CD2 4.03Å; F252-L279 HydrophobicContact CE1-CD2 3.79Å; F252-L279 HydrophobicContact CE1-CG 3.94Å; L255-L279 HydrophobicContact CD1-CD2 3.78Å; L266-L279 HydrophobicContact CD1-CD1 3.99Å; L271-L279 HydrophobicContact CD1-CD1 4.2Å; I275-L279 HydrophobicContact CG2-CD1 4.29Å; I275-L279 HydrophobicContact CG2-CG 4.42Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 2.88Å; L276-L279 HydrophobicContact CD2-CD1 4.42Å; L276-L279 PolarHBondContact O-N 2.96Å; V277-L279 VanDerWaalsContact C-N 3.33Å; V277-L279 PolarHBondContact O-N 2.68Å; L279-S282 PolarHBondContact O-N 3.09Å; L279-I283 PolarHBondContact O-N 3.01Å; L279-L295 HydrophobicContact CD1-CD2 3.87Å
280L96.9Very high94.9Very high3 Ų344.4 Ų44.42%0.01622%0.218CC..Hα-helixtrans-66.4-41.3176.2-75.6178.5000112.6L276 V277 R278 S282 I283 S284 L293 L311 L314 I315 L321L276-L280 PolarHBondContact O-N 3.49Å; L276-L280 VanDerWaalsContact O-N 3.08Å; V277-L280 PolarHBondContact O-N 3.4Å; V277-L280 VanDerWaalsContact O-N 3.12Å; R278-L280 VanDerWaalsContact C-N 3.34Å; R278-L280 PolarHBondContact O-N 2.85Å; L280-S282 VanDerWaalsContact C-N 3.31Å; L280-S282 PolarHBondContact O-N 3.17Å; L280-I283 HydrophobicContact CD2-CD1 4.07Å; L280-I283 HydrophobicContact CD2-CG1 4.48Å; L280-I283 VanDerWaalsContact O-CG1 3.27Å; L280-I283 WeakPolarHBondContact O-CG1 3.5Å; L280-I283 PolarHBondContact O-N 3.4Å; L280-S284 PolarHBondContact O-N 3.4Å; L280-S284 VanDerWaalsContact O-N 3.14Å; L280-S284 PolarHBondContact O-OG 3.1Å; L280-L293 HydrophobicContact CD2-CD2 3.55Å; L280-L293 HydrophobicContact CG-CD2 4.5Å; L280-L311 HydrophobicContact CD1-CB 4.3Å; L280-L311 HydrophobicContact CD1-CD2 3.53Å; L280-L314 HydrophobicContact CB-CB 4.21Å; L280-L314 HydrophobicContact CB-CD1 3.99Å; L280-L314 HydrophobicContact CD1-CB 4.39Å; L280-I315 HydrophobicContact CD1-CD1 4.13Å; L280-I315 HydrophobicContact CD1-CG1 3.82Å; L280-I315 HydrophobicContact CD2-CG1 4.33Å; L280-L321 HydrophobicContact CD2-CD1 4.3Å
281E96.9Very high95Very high80 Ų8042.5 Ų42.537%0.37421%0.213SC..Hα-helixtrans-57.4-45.7173.4-72.4173.6174.800110.7V277 R278 I283 S284 L314V277-E281 HydrophobicContact CG1-CG 4.37Å; V277-E281 WeakPolarHBondContact O-CG 3.41Å; V277-E281 PolarHBondContact O-N 3.04Å; R278-E281 WeakPolarHBondContact CD-OE2 3.35Å; R278-E281 IonicContact NE-OE2 3.82Å; R278-E281 PolarHBondContact O-N 3.11Å; E281-I283 PolarHBondContact O-N 3.21Å; E281-S284 WeakPolarHBondContact O-CB 3.43Å; E281-S284 PolarHBondContact O-N 3.39Å; E281-S284 VanDerWaalsContact O-N 3.1Å; E281-L314 HydrophobicContact CG-CD1 3.78Å; E281-L314 HydrophobicContact CG-CD2 4.05Å
282S96.4Very high95.1Very high5 Ų543.1 Ų43.14%0.03522%0.217CC..Hα-helixtrans-61.2-27.5179.5-73.20000113.9F252 R278 L279 L280 H285F252-S282 WeakPolarHBondContact CA-OG 3.44Å; F252-S282 WeakPolarHBondContact CB-OG 3.5Å; F252-S282 PolarHBondContact O-OG 3.05Å; R278-S282 PolarHBondContact O-N 3.43Å; R278-S282 PolarHBondContact O-OG 3.02Å; L279-S282 PolarHBondContact O-N 3.09Å; L280-S282 VanDerWaalsContact C-N 3.31Å; L280-S282 PolarHBondContact O-N 3.17Å; S282-H285 PolarHBondContact O-CE1 3.13Å; S282-H285 PolarHBondContact O-ND1 2.86Å
283I96.2Very high95.3Very high1 Ų141.3 Ų41.31%0.00521%0.206CC..THydrogen-bonded Turntrans-99.41.9177.966.9163.8000114.2L255 L279 L280 E281 H285 S288 I290 L293 N318 R320 L321L255-I283 HydrophobicContact CB-CG2 4.03Å; L255-I283 HydrophobicContact CD1-CG2 3.87Å; L255-I283 HydrophobicContact CD2-CG2 3.79Å; L255-I283 HydrophobicContact CG-CG2 4.08Å; L279-I283 PolarHBondContact O-N 3.01Å; L280-I283 HydrophobicContact CD2-CD1 4.07Å; L280-I283 HydrophobicContact CD2-CG1 4.48Å; L280-I283 VanDerWaalsContact O-CG1 3.27Å; L280-I283 WeakPolarHBondContact O-CG1 3.5Å; L280-I283 PolarHBondContact O-N 3.4Å; E281-I283 PolarHBondContact O-N 3.21Å; I283-H285 VanDerWaalsContact C-N 3.32Å; I283-H285 PolarHBondContact O-N 3.15Å; I283-S288 VanDerWaalsContact O-CB 3.26Å; I283-S288 WeakPolarHBondContact O-CB 3.41Å; I283-I290 HydrophobicContact CD1-CB 4.43Å; I283-I290 HydrophobicContact CD1-CG2 4.04Å; I283-I290 HydrophobicContact CG2-CB 4.34Å; I283-I290 HydrophobicContact CG2-CG1 3.95Å; I283-L293 HydrophobicContact CD1-CD2 3.76Å; I283-N318 PolarHBondContact O-ND2 2.85Å; I283-R320 PolarHBondContact O-NH2 3.5Å; I283-L321 HydrophobicContact CD1-CD1 4.37Å; I283-L321 HydrophobicContact CD1-CD2 4.03Å
284S94.2Very high95.5Very high43 Ų4343.3 Ų43.330%0.30122%0.215SC..THydrogen-bonded Turntrans-71.3-28-176.1-69.20000112.6L280 E281 R320L280-S284 PolarHBondContact O-N 3.4Å; L280-S284 VanDerWaalsContact O-N 3.14Å; L280-S284 PolarHBondContact O-OG 3.1Å; E281-S284 WeakPolarHBondContact O-CB 3.43Å; E281-S284 PolarHBondContact O-N 3.39Å; E281-S284 VanDerWaalsContact O-N 3.1Å; S284-R320 PolarHBondContact O-NH2 3.14Å
285H92.5Very high95.6Very high57 Ų5739.2 Ų39.226%0.26419%0.19SC..SBendtrans-59.9145179.969.6-81.6000113L255 S282 I283 K287 S288 R320L255-H285 PolarHBondContact O-CE1 3.1Å; S282-H285 PolarHBondContact O-CE1 3.13Å; S282-H285 PolarHBondContact O-ND1 2.86Å; I283-H285 VanDerWaalsContact C-N 3.32Å; I283-H285 PolarHBondContact O-N 3.15Å; H285-K287 PolarHBondContact O-N 3.36Å; H285-K287 VanDerWaalsContact O-N 3.09Å; H285-S288 PolarHBondContact CD2-N 3.27Å; H285-S288 WeakPolarHBondContact NE2-CA 3.45Å; H285-S288 PolarHBondContact NE2-N 3.36Å; H285-S288 VanDerWaalsContact NE2-N 3.2Å; H285-S288 WeakPolarHBondContact O-CB 3.34Å; H285-S288 PolarHBondContact O-N 2.83Å; H285-R320 PolarHBondContact O-NH2 3.45Å
286E90.4Very high95.6Very high175 Ų17539 Ų3982%0.81819%0.191SC*.THydrogen-bonded Turntrans-60.1-29.1-167.6-64.9-176.1169.100115.5S288E286-S288 VanDerWaalsContact C-N 3.3Å; E286-S288 PolarHBondContact O-N 2.93Å
287K92.4Very high95.4Very high165 Ų16544 Ų4472%0.71722%0.217SC*.THydrogen-bonded Turntrans-82.5-3.8-178.2-57.2-177.8-179.71780113.7T259 H285 G289T259-K287 VanDerWaalsContact CB-O 3.23Å; T259-K287 WeakPolarHBondContact CB-O 3.43Å; T259-K287 HydrophobicContact CG2-CB 3.8Å; T259-K287 WeakPolarHBondContact CG2-O 3.4Å; H285-K287 PolarHBondContact O-N 3.36Å; H285-K287 VanDerWaalsContact O-N 3.09Å; K287-G289 PolarHBondContact O-N 2.93Å
288S93.8Very high95.3Very high6 Ų644.3 Ų44.34%0.04222%0.218CC..  trans-61.8128.9-178.3-172.10000110.8I283 H285 E286 I290 R320I283-S288 VanDerWaalsContact O-CB 3.26Å; I283-S288 WeakPolarHBondContact O-CB 3.41Å; H285-S288 PolarHBondContact CD2-N 3.27Å; H285-S288 WeakPolarHBondContact NE2-CA 3.45Å; H285-S288 PolarHBondContact NE2-N 3.36Å; H285-S288 VanDerWaalsContact NE2-N 3.2Å; H285-S288 WeakPolarHBondContact O-CB 3.34Å; H285-S288 PolarHBondContact O-N 2.83Å; E286-S288 VanDerWaalsContact C-N 3.3Å; E286-S288 PolarHBondContact O-N 2.93Å; S288-I290 VanDerWaalsContact C-N 3.31Å; S288-R320 PolarHBondContact O-NE 3.07Å
289G93.2Very high94.8Very high17 Ų1746.9 Ų46.918%0.17523%0.228CC..  trans-79.2-10.1177.700000114.5T259 L261 K262 K287 T291T259-G289 WeakPolarHBondContact O-CA 3.39Å; L261-G289 CarbonylContact O-C 3.55Å; K262-G289 WeakPolarHBondContact CA-O 3.5Å; K287-G289 PolarHBondContact O-N 2.93Å; G289-T291 PolarHBondContact O-N 2.87Å
290I97.4Very high94.3Very high3 Ų350 Ų502%0.01524%0.243CC..  trans-70.3118.8-170.7-60.2-72.4000110.8L255 L261 L264 I283 S288 L293 L321L255-I290 HydrophobicContact CD2-CD1 4.1Å; L255-I290 HydrophobicContact CD2-CG1 4.07Å; L261-I290 HydrophobicContact CB-CD1 4.05Å; L261-I290 HydrophobicContact CD2-CD1 3.95Å; L261-I290 HydrophobicContact CG-CD1 3.83Å; L261-I290 VanDerWaalsContact O-CD1 3.25Å; L261-I290 WeakPolarHBondContact O-CD1 3.26Å; L261-I290 PolarHBondContact O-N 3.22Å; L264-I290 HydrophobicContact CB-CD1 4.04Å; I283-I290 HydrophobicContact CD1-CB 4.43Å; I283-I290 HydrophobicContact CD1-CG2 4.04Å; I283-I290 HydrophobicContact CG2-CB 4.34Å; I283-I290 HydrophobicContact CG2-CG1 3.95Å; S288-I290 VanDerWaalsContact C-N 3.31Å; I290-L293 HydrophobicContact CG2-CB 4.2Å; I290-L321 HydrophobicContact CG2-CD2 4.21Å
291T96.1Very high93.4Very high43 Ų4354.2 Ų54.226%0.26427%0.273SS..  trans-111.6-29175570000112.5K262 G289 V322 R323K262-T291 PolarHBondContact O-N 3.02Å; K262-T291 PolarHBondContact O-OG1 2.96Å; G289-T291 PolarHBondContact O-N 2.87Å; T291-V322 PolarHBondContact O-N 3.23Å; T291-R323 PolarHBondContact O-N 3.22Å; T291-R323 VanDerWaalsContact O-N 3.09Å
292D97.5Very high92.8Very high15 Ų1554.8 Ų54.88%0.0828%0.281CS..EExtended strand (participates in β ladder)trans-125.4110.4-174.3-60.3-132.4000108.3K262 V263 L264 R323K262-D292 PolarHBondContact O-N 3.36Å; V263-D292 WeakPolarHBondContact CA-O 3.48Å; V263-D292 HydrophobicContact CB-CB 4.19Å; V263-D292 HydrophobicContact CG1-CB 3.96Å; V263-D292 HydrophobicContact CG2-CB 3.91Å; L264-D292 PolarHBondContact N-O 3.21Å; D292-R323 WeakPolarHBondContact CA-O 3.44Å; D292-R323 HydrophobicContact CB-CB 4.08Å; D292-R323 WeakPolarHBondContact OD1-CD 3.37Å; D292-R323 WeakPolarHBondContact OD1-CG 3.42Å; D292-R323 IonicContact OD1-CZ 3.95Å; D292-R323 IonicContact OD1-NE 2.73Å; D292-R323 IonicContact OD1-NH1 3.01Å; D292-R323 PolarHBondContact OD1-NH1 2.97Å
293L97.9Very high92.4Very high1 Ų155.2 Ų55.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-122.5120.4-177.8-178.165.6000110.3L264 L280 I283 I290 L295 L321 R323 L324 G325L264-L293 HydrophobicContact CB-CD1 4.07Å; L264-L293 HydrophobicContact CD2-CD1 3.97Å; L264-L293 HydrophobicContact CG-CD1 4.13Å; L280-L293 HydrophobicContact CD2-CD2 3.55Å; L280-L293 HydrophobicContact CG-CD2 4.5Å; I283-L293 HydrophobicContact CD1-CD2 3.76Å; I290-L293 HydrophobicContact CG2-CB 4.2Å; L293-L295 HydrophobicContact CD1-CD1 4.2Å; L293-L295 HydrophobicContact CD1-CD2 4.19Å; L293-L295 HydrophobicContact CD1-CG 4.08Å; L293-L295 HydrophobicContact CD2-CD1 3.65Å; L293-L295 HydrophobicContact CD2-CG 4.29Å; L293-L295 HydrophobicContact CG-CD1 3.83Å; L293-L295 HydrophobicContact CG-CG 3.88Å; L293-L321 HydrophobicContact CB-CD2 4.1Å; L293-R323 PolarHBondContact N-O 3.08Å; L293-L324 HydrophobicContact CB-CD1 4.29Å; L293-L324 HydrophobicContact CD2-CD1 4.28Å; L293-L324 HydrophobicContact CG-CD1 4.48Å; L293-L324 CarbonylContact O-C 3.54Å; L293-L324 VanDerWaalsContact O-CA 3.29Å; L293-L324 WeakPolarHBondContact O-CA 3.43Å; L293-G325 PolarHBondContact O-N 3.41Å
294H97.6Very high92Very high42 Ų4256.6 Ų56.619%0.19430%0.297CS..EExtended strand (participates in β ladder)trans-118.3108.8-175.6-67.7-88.7000109.9L264 N265 L266 E267L264-H294 PolarHBondContact O-N 2.87Å; N265-H294 HydrophobicContact CB-CB 3.79Å; N265-H294 WeakPolarHBondContact OD1-CB 3.07Å; L266-H294 CarbonylContact C-O 3.53Å; L266-H294 PolarHBondContact N-O 3.14Å; E267-H294 HydrophobicContact CG-CB 3.88Å; E267-H294 PolarHBondContact N-O 2.58Å; E267-H294 WeakPolarHBondContact OE1-CB 3.3Å; E267-H294 IonicContact OE1-CG 3.42Å; E267-H294 IonicContact OE1-ND1 3.39Å; E267-H294 PolarHBondContact OE1-ND1 2.95Å
295L96Very high91.9Very high2 Ų259.6 Ų59.61%0.0131%0.314CS..  trans-13111.5-174.3-60.8174.9000112.2L266 L276 L279 L293 Q298 G325 L326L266-L295 HydrophobicContact CB-CD2 3.97Å; L266-L295 HydrophobicContact CD1-CD2 4.16Å; L266-L295 HydrophobicContact CG-CD2 4.41Å; L276-L295 HydrophobicContact CD2-CB 4.16Å; L276-L295 HydrophobicContact CD2-CD1 4.15Å; L276-L295 HydrophobicContact CD2-CD2 4.28Å; L276-L295 HydrophobicContact CD2-CG 4.42Å; L279-L295 HydrophobicContact CD1-CD2 3.87Å; L293-L295 HydrophobicContact CD1-CD1 4.2Å; L293-L295 HydrophobicContact CD1-CD2 4.19Å; L293-L295 HydrophobicContact CD1-CG 4.08Å; L293-L295 HydrophobicContact CD2-CD1 3.65Å; L293-L295 HydrophobicContact CD2-CG 4.29Å; L293-L295 HydrophobicContact CG-CD1 3.83Å; L293-L295 HydrophobicContact CG-CG 3.88Å; L295-Q298 VanDerWaalsContact O-CG 3.27Å; L295-Q298 WeakPolarHBondContact O-CG 3.17Å; L295-Q298 PolarHBondContact O-NE2 3.13Å; L295-G325 CarbonylContact C-O 3.05Å; L295-G325 WeakPolarHBondContact CA-O 3.35Å; L295-G325 PolarHBondContact N-O 2.8Å; L295-L326 HydrophobicContact CB-CD1 4.19Å
296A93.5Very high91.9Very high13 Ų1365.9 Ų65.911%0.10734%0.34CS..  trans-71.4170.1-178.800000113.4E267 S268 Q298 G325E267-A296 VanDerWaalsContact CA-O 3.28Å; E267-A296 WeakPolarHBondContact CA-O 3.48Å; E267-A296 HydrophobicContact CG-CB 4.23Å; S268-A296 PolarHBondContact N-O 3.49Å; A296-Q298 VanDerWaalsContact C-N 3.3Å; A296-Q298 PolarHBondContact O-N 3.4Å; A296-Q298 PolarHBondContact O-NE2 3.47Å; A296-G325 PolarHBondContact N-O 3.13Å; A296-G325 VanDerWaalsContact N-O 3.17Å
297N93.5Very high92.1Very high106 Ų10659.5 Ų59.557%0.56731%0.311SS*.SBendtrans56.337.1175.9-16738.3000114S268 D327S268-N297 WeakPolarHBondContact CA-O 3.4Å; S268-N297 PolarHBondContact OG-ND2 3.22Å; N297-D327 PolarHBondContact N-OD2 2.69Å
298Q94.2Very high92.2Very high17 Ų1751.8 Ų51.88%0.07928%0.278CS..  trans-70.1155.2174.7-56.9-57.5-36.400110.8L266 N269 L271 L276 L295 A296 Q300L266-Q298 PolarHBondContact O-NE2 3.5Å; N269-Q298 PolarHBondContact O-OE1 3.1Å; N269-Q298 VanDerWaalsContact O-OE1 3.08Å; L271-Q298 HydrophobicContact CB-CG 4.37Å; L271-Q298 WeakPolarHBondContact O-CB 3.46Å; L276-Q298 HydrophobicContact CD1-CG 4.46Å; L295-Q298 VanDerWaalsContact O-CG 3.27Å; L295-Q298 WeakPolarHBondContact O-CG 3.17Å; L295-Q298 PolarHBondContact O-NE2 3.13Å; A296-Q298 VanDerWaalsContact C-N 3.3Å; A296-Q298 PolarHBondContact O-N 3.4Å; A296-Q298 PolarHBondContact O-NE2 3.47Å; Q298-Q300 PolarHBondContact O-N 2.61Å
299R87.7Confident92.3Very high190 Ų19059.7 Ų59.772%0.71731%0.307SS*.SBendtrans-57.4-32.9176.2179.556.4-179.7-98.8-1.9112.9N269 F270 S301N269-R299 PolarHBondContact O-N 3.26Å; F270-R299 HydrophobicContact CD1-CB 3.6Å; F270-R299 HydrophobicContact CD1-CG 3.81Å; F270-R299 HydrophobicContact CE1-CB 4.08Å; F270-R299 HydrophobicContact CE1-CG 4.05Å; F270-R299 HydrophobicContact CG-CB 4.41Å; R299-S301 PolarHBondContact O-N 3.41Å
300Q85.7Confident92.4Very high66 Ų6661.7 Ų61.731%0.30831%0.313SS..  trans-77101.8173-176.9180100109.3T272 Q298 V302 L303T272-Q300 VanDerWaalsContact CB-OE1 3.26Å; Q298-Q300 PolarHBondContact O-N 2.61Å; Q300-V302 WeakPolarHBondContact CG-O 3.32Å; Q300-V302 PolarHBondContact NE2-O 3.25Å; Q300-L303 HydrophobicContact CG-CD2 4.4Å
301S77.4Confident92.4Very high92 Ų9261.5 Ų61.564%0.64331%0.313SS*.  trans-71-29.3-179.4-172.90000113.6R299R299-S301 PolarHBondContact O-N 3.41Å
302V85.4Confident92.4Very high92 Ų9259.9 Ų59.956%0.55830%0.302SS*.  trans-121.6112.9-177-177.20000109.3Q300Q300-V302 WeakPolarHBondContact CG-O 3.32Å; Q300-V302 PolarHBondContact NE2-O 3.25Å
303L87.8Confident92.4Very high13 Ų1363.9 Ų63.97%0.06832%0.321CS..  trans-80.4-31.2-180-57.8-178.9000112.3L276 Q300 I307 E308 L311 L328L276-L303 HydrophobicContact CD1-CD1 4.21Å; L276-L303 HydrophobicContact CD1-CD2 4.14Å; Q300-L303 HydrophobicContact CG-CD2 4.4Å; L303-I307 HydrophobicContact CB-CG2 4.13Å; L303-I307 VanDerWaalsContact O-CD1 3.32Å; L303-I307 WeakPolarHBondContact O-CD1 3.36Å; L303-E308 HydrophobicContact CB-CG 3.99Å; L303-E308 HydrophobicContact CD1-CG 4.49Å; L303-L311 HydrophobicContact CD1-CD1 3.69Å; L303-L328 HydrophobicContact CD1-CD2 4.29Å
304G88.8Confident92.3Very high30 Ų3065.1 Ų65.131%0.30933%0.327SS..  trans90.2145.2-178.400000113.3K306 I307 E308G304-K306 VanDerWaalsContact C-N 3.3Å; G304-K306 PolarHBondContact O-N 2.87Å; G304-K306 VanDerWaalsContact O-N 3.17Å; G304-I307 PolarHBondContact O-N 3.49Å; G304-E308 PolarHBondContact O-N 3.44Å
305V90.9Very high92.3Very high106 Ų10663.1 Ų63.164%0.64232%0.318SS*.Hα-helixtrans-55.8-39.5-169.1-179.40000113.3R309V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 3.42Å
306K92.9Very high92.3Very high190 Ų19066.1 Ų66.183%0.82633%0.334SS*.Hα-helixtrans-64.7-42.2179.5-175.4177.1178.9179.90112G304 N310G304-K306 VanDerWaalsContact C-N 3.3Å; G304-K306 PolarHBondContact O-N 2.87Å; G304-K306 VanDerWaalsContact O-N 3.17Å; K306-N310 PolarHBondContact O-N 3.47Å
307I94.1Very high92.4Very high41 Ų4169.2 Ų69.221%0.2136%0.36CS..Hα-helixtrans-69.7-46.9178.2-72.7170.6000109.6V274 V277 L303 G304 R309 N310 L311V274-I307 HydrophobicContact CG2-CD1 4.23Å; V277-I307 HydrophobicContact CG2-CG2 4.08Å; L303-I307 HydrophobicContact CB-CG2 4.13Å; L303-I307 VanDerWaalsContact O-CD1 3.32Å; L303-I307 WeakPolarHBondContact O-CD1 3.36Å; G304-I307 PolarHBondContact O-N 3.49Å; I307-R309 VanDerWaalsContact C-N 3.28Å; I307-R309 PolarHBondContact O-N 3.48Å; I307-N310 WeakPolarHBondContact O-CB 3.15Å; I307-N310 PolarHBondContact O-N 3.02Å; I307-L311 HydrophobicContact CG2-CD1 3.77Å; I307-L311 HydrophobicContact CG2-CG 4.11Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 2.88Å
308E95.2Very high92.4Very high3 Ų364.3 Ų64.31%0.01433%0.333CS..Hα-helixtrans-60.4-37.2179.3-67.7-172.4179.800113L303 G304 T312 L328 E329 T330 A333L303-E308 HydrophobicContact CB-CG 3.99Å; L303-E308 HydrophobicContact CD1-CG 4.49Å; G304-E308 PolarHBondContact O-N 3.44Å; E308-T312 WeakPolarHBondContact O-CB 3.06Å; E308-T312 PolarHBondContact O-N 2.94Å; E308-T312 PolarHBondContact O-OG1 3.31Å; E308-L328 HydrophobicContact CB-CD2 4.18Å; E308-L328 HydrophobicContact CG-CD2 3.82Å; E308-E329 WeakPolarHBondContact OE1-CB 3.46Å; E308-E329 PolarHBondContact OE1-N 2.98Å; E308-E329 PolarHBondContact OE2-N 2.95Å; E308-T330 WeakPolarHBondContact OE2-CA 3.26Å; E308-T330 WeakPolarHBondContact OE2-CB 3.38Å; E308-T330 PolarHBondContact OE2-N 3.27Å; E308-T330 PolarHBondContact OE2-OG1 3.24Å; E308-A333 HydrophobicContact CB-CB 4.48Å
309R95Very high92.4Very high171 Ų17166.3 Ų66.365%0.64535%0.348SS*.Hα-helixtrans-60.9-47.1172.4179.2177.7173.1168.4-0.3111.6V305 I307 T312 E313V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 3.42Å; I307-R309 VanDerWaalsContact C-N 3.28Å; I307-R309 PolarHBondContact O-N 3.48Å; R309-T312 WeakPolarHBondContact O-CB 3.27Å; R309-T312 PolarHBondContact O-N 3.3Å; R309-E313 IonicContact CZ-OE1 2.69Å; R309-E313 IonicContact NE-OE1 3.58Å; R309-E313 PolarHBondContact NE-OE1 3.34Å; R309-E313 IonicContact NH2-OE1 2.69Å; R309-E313 PolarHBondContact NH2-OE1 2.94Å; R309-E313 WeakPolarHBondContact O-CG 3.35Å; R309-E313 PolarHBondContact O-N 3.14Å
310N96.2Very high92.6Very high59 Ų5960 Ų6032%0.31632%0.324SS..Hα-helixtrans-63.4-46.4178.7-169.24.8000111.5V277 K306 I307 T312 E313 L314V277-N310 VanDerWaalsContact CG1-ND2 3.28Å; V277-N310 WeakPolarHBondContact CG1-ND2 3.44Å; V277-N310 HydrophobicContact CG2-CB 4.37Å; K306-N310 PolarHBondContact O-N 3.47Å; I307-N310 WeakPolarHBondContact O-CB 3.15Å; I307-N310 PolarHBondContact O-N 3.02Å; N310-T312 VanDerWaalsContact C-N 3.25Å; N310-T312 PolarHBondContact O-N 3.08Å; N310-E313 PolarHBondContact O-N 2.76Å; N310-L314 WeakPolarHBondContact O-CG 3.22Å; N310-L314 PolarHBondContact O-N 3.12Å
311L96.8Very high93.1Very high0 Ų056.9 Ų56.90%031%0.309CS..Hα-helixtrans-54-45.9173.4-66.7171.6000110.8L276 V277 L280 L303 I307 L314 I315 L326 L328L276-L311 HydrophobicContact CB-CD2 3.99Å; V277-L311 HydrophobicContact CB-CD2 4.21Å; V277-L311 HydrophobicContact CG2-CD2 3.49Å; V277-L311 VanDerWaalsContact CG2-CD2 3.49Å; V277-L311 HydrophobicContact CG2-CG 3.82Å; L280-L311 HydrophobicContact CD1-CB 4.3Å; L280-L311 HydrophobicContact CD1-CD2 3.53Å; L303-L311 HydrophobicContact CD1-CD1 3.69Å; I307-L311 HydrophobicContact CG2-CD1 3.77Å; I307-L311 HydrophobicContact CG2-CG 4.11Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 2.88Å; L311-L314 PolarHBondContact O-N 3.35Å; L311-I315 WeakPolarHBondContact O-CB 3.24Å; L311-I315 VanDerWaalsContact O-CD1 3.26Å; L311-I315 WeakPolarHBondContact O-CD1 3.1Å; L311-I315 WeakPolarHBondContact O-CG1 3.23Å; L311-I315 PolarHBondContact O-N 3.1Å; L311-L326 HydrophobicContact CB-CD2 4.47Å; L311-L326 HydrophobicContact CD1-CD2 4.26Å; L311-L328 HydrophobicContact CD1-CD2 4.15Å
312T96.4Very high93.9Very high8 Ų853.4 Ų53.45%0.04928%0.284CS..Hα-helixtrans-61.5-48178.4-58.20000111.7E308 R309 N310 L314 I315 L316 A333 R336 T337E308-T312 WeakPolarHBondContact O-CB 3.06Å; E308-T312 PolarHBondContact O-N 2.94Å; E308-T312 PolarHBondContact O-OG1 3.31Å; R309-T312 WeakPolarHBondContact O-CB 3.27Å; R309-T312 PolarHBondContact O-N 3.3Å; N310-T312 VanDerWaalsContact C-N 3.25Å; N310-T312 PolarHBondContact O-N 3.08Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 2.91Å; T312-I315 PolarHBondContact O-N 3.24Å; T312-L316 HydrophobicContact CG2-CD1 3.87Å; T312-L316 HydrophobicContact CG2-CG 4.22Å; T312-L316 WeakPolarHBondContact O-CB 3.19Å; T312-L316 VanDerWaalsContact O-CG 3.22Å; T312-L316 WeakPolarHBondContact O-CG 3.11Å; T312-L316 PolarHBondContact O-N 2.76Å; T312-A333 VanDerWaalsContact OG1-CB 3.31Å; T312-A333 WeakPolarHBondContact OG1-CB 3.37Å; T312-R336 HydrophobicContact CG2-CB 4.3Å; T312-T337 HydrophobicContact CG2-CG2 4.03Å
313E96.8Very high94.4Very high99 Ų9956.1 Ų56.146%0.46328%0.284SS..Hα-helixtrans-59-43.9178.4-72.6173.2-170.100111.4R309 N310 L316 A317R309-E313 IonicContact CZ-OE1 2.69Å; R309-E313 IonicContact NE-OE1 3.58Å; R309-E313 PolarHBondContact NE-OE1 3.34Å; R309-E313 IonicContact NH2-OE1 2.69Å; R309-E313 PolarHBondContact NH2-OE1 2.94Å; R309-E313 WeakPolarHBondContact O-CG 3.35Å; R309-E313 PolarHBondContact O-N 3.14Å; N310-E313 PolarHBondContact O-N 2.76Å; E313-L316 PolarHBondContact O-N 3.19Å; E313-A317 WeakPolarHBondContact O-CB 3.34Å; E313-A317 PolarHBondContact O-N 2.85Å
314L97.1Very high94.9Very high28 Ų2857.4 Ų57.415%0.14729%0.291CS..Hα-helixtrans-65.2-41.7176.4-69.4170.9000112.9V277 L280 E281 N310 L311 T312 A317 N318V277-L314 HydrophobicContact CG1-CD1 3.87Å; L280-L314 HydrophobicContact CB-CB 4.21Å; L280-L314 HydrophobicContact CB-CD1 3.99Å; L280-L314 HydrophobicContact CD1-CB 4.39Å; E281-L314 HydrophobicContact CG-CD1 3.78Å; E281-L314 HydrophobicContact CG-CD2 4.05Å; N310-L314 WeakPolarHBondContact O-CG 3.22Å; N310-L314 PolarHBondContact O-N 3.12Å; L311-L314 PolarHBondContact O-N 3.35Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 2.91Å; L314-A317 PolarHBondContact O-N 2.84Å; L314-N318 PolarHBondContact O-N 2.98Å
315I97Very high95.1Very high0 Ų056.6 Ų56.60%028%0.283CS..Hα-helixtrans-64.3-46.2177.6-69.4157.7000110.3L280 L311 T312 A317 N318 L324 L326 T337 H340 V341L280-I315 HydrophobicContact CD1-CD1 4.13Å; L280-I315 HydrophobicContact CD1-CG1 3.82Å; L280-I315 HydrophobicContact CD2-CG1 4.33Å; L311-I315 WeakPolarHBondContact O-CB 3.24Å; L311-I315 VanDerWaalsContact O-CD1 3.26Å; L311-I315 WeakPolarHBondContact O-CD1 3.1Å; L311-I315 WeakPolarHBondContact O-CG1 3.23Å; L311-I315 PolarHBondContact O-N 3.1Å; T312-I315 PolarHBondContact O-N 3.24Å; I315-A317 VanDerWaalsContact C-N 3.29Å; I315-A317 PolarHBondContact O-N 3.32Å; I315-N318 PolarHBondContact O-N 3.1Å; I315-L324 HydrophobicContact CD1-CD2 3.48Å; I315-L324 VanDerWaalsContact CD1-CD2 3.48Å; I315-L324 HydrophobicContact CG1-CD2 3.98Å; I315-L324 HydrophobicContact CG2-CD2 4.15Å; I315-L326 HydrophobicContact CD1-CD2 3.88Å; I315-T337 HydrophobicContact CB-CG2 4.17Å; I315-T337 HydrophobicContact CD1-CG2 3.63Å; I315-T337 HydrophobicContact CG2-CG2 4.03Å; I315-H340 PolarHBondContact O-CD2 2.98Å; I315-H340 PolarHBondContact O-NE2 3.02Å; I315-V341 HydrophobicContact CG2-CG2 4.44Å
316L95.7Very high95.2Very high64 Ų6452.9 Ų52.934%0.33526%0.259SS..Hα-helixtrans-64.1-34.5179.2-68.6178.6000112.1T312 E313 N318 R336 H340T312-L316 HydrophobicContact CG2-CD1 3.87Å; T312-L316 HydrophobicContact CG2-CG 4.22Å; T312-L316 WeakPolarHBondContact O-CB 3.19Å; T312-L316 VanDerWaalsContact O-CG 3.22Å; T312-L316 WeakPolarHBondContact O-CG 3.11Å; T312-L316 PolarHBondContact O-N 2.76Å; E313-L316 PolarHBondContact O-N 3.19Å; L316-N318 PolarHBondContact O-N 3.39Å; L316-R336 HydrophobicContact CD2-CB 4.49Å; L316-H340 HydrophobicContact CD2-CB 3.5Å; L316-H340 PolarHBondContact O-CE1 3.44Å; L316-H340 PolarHBondContact O-NE2 3.1Å
317A95.2Very high95.2Very high79 Ų7948.1 Ų48.165%0.65324%0.243SC*.Hα-helixtrans-69.6-19.517400000113.2E313 L314 I315 P319E313-A317 WeakPolarHBondContact O-CB 3.34Å; E313-A317 PolarHBondContact O-N 2.85Å; L314-A317 PolarHBondContact O-N 2.84Å; I315-A317 VanDerWaalsContact C-N 3.29Å; I315-A317 PolarHBondContact O-N 3.32Å; A317-P319 VanDerWaalsContact O-CD 3.23Å; A317-P319 WeakPolarHBondContact O-CD 3.18Å
318N94.6Very high95.1Very high3 Ų346.6 Ų46.62%0.01624%0.235CC..  trans-97.9105.3-178.6-170-22.4000111.9I283 L314 I315 L316 R320 L321 H340I283-N318 PolarHBondContact O-ND2 2.85Å; L314-N318 PolarHBondContact O-N 2.98Å; I315-N318 PolarHBondContact O-N 3.1Å; L316-N318 PolarHBondContact O-N 3.39Å; N318-R320 VanDerWaalsContact C-N 3.3Å; N318-R320 PolarHBondContact O-N 3.25Å; N318-R320 WeakPolarHBondContact OD1-CB 3.48Å; N318-R320 PolarHBondContact OD1-N 3.45Å; N318-L321 HydrophobicContact CB-CD1 4.28Å; N318-H340 PolarHBondContact O-NE2 3.07Å
319P92.9Very high94.8Very high59 Ų5951.8 Ų51.838%0.38326%0.259SS..SBendtrans-78.8-8.8179.432.7-36.5000113.5A317 N344 R347A317-P319 VanDerWaalsContact O-CD 3.23Å; A317-P319 WeakPolarHBondContact O-CD 3.18Å; P319-N344 PolarHBondContact O-ND2 2.98Å; P319-N344 PolarHBondContact O-OD1 2.88Å; P319-R347 PolarHBondContact O-NH2 2.9Å
320R92.7Very high94.7Very high57 Ų5745.7 Ų45.722%0.21524%0.241CC..  trans-88.3-22.5-171.5-63.6178.8-64.4-74.5-7.6113.6I283 S284 H285 S288 N318 V322I283-R320 PolarHBondContact O-NH2 3.5Å; S284-R320 PolarHBondContact O-NH2 3.14Å; H285-R320 PolarHBondContact O-NH2 3.45Å; S288-R320 PolarHBondContact O-NE 3.07Å; N318-R320 VanDerWaalsContact C-N 3.3Å; N318-R320 PolarHBondContact O-N 3.25Å; N318-R320 WeakPolarHBondContact OD1-CB 3.48Å; N318-R320 PolarHBondContact OD1-N 3.45Å; R320-V322 PolarHBondContact O-N 2.83Å
321L95.4Very high94.5Very high0 Ų046.5 Ų46.50%025%0.251CS..  trans-67.6118.4-179.2-71173.7000111L280 I283 I290 L293 N318 N344L280-L321 HydrophobicContact CD2-CD1 4.3Å; I283-L321 HydrophobicContact CD1-CD1 4.37Å; I283-L321 HydrophobicContact CD1-CD2 4.03Å; I290-L321 HydrophobicContact CG2-CD2 4.21Å; L293-L321 HydrophobicContact CB-CD2 4.1Å; N318-L321 HydrophobicContact CB-CD1 4.28Å; L321-N344 VanDerWaalsContact O-CB 3.25Å; L321-N344 WeakPolarHBondContact O-CB 3.43Å; L321-N344 PolarHBondContact O-ND2 3.27Å
322V95.7Very high94.4Very high20 Ų2050.1 Ų50.112%0.12127%0.271CS..  trans-108.3-30.3-179.3174.10000111.1T291 R320 V341 L345 V348T291-V322 PolarHBondContact O-N 3.23Å; R320-V322 PolarHBondContact O-N 2.83Å; V322-V341 WeakPolarHBondContact O-CG1 3.5Å; V322-L345 HydrophobicContact CG1-CB 3.89Å; V322-L345 HydrophobicContact CG1-CD1 3.4Å; V322-L345 HydrophobicContact CG1-CG 4.18Å; V322-V348 HydrophobicContact CG2-CG2 3.99Å
323R96.3Very high94.3Very high148 Ų14850 Ų5056%0.55827%0.271SS*.EExtended strand (participates in β ladder)trans-130.6132.1171.6-57.6-159.9-174.7129-13.2110.1T291 D292 L293T291-R323 PolarHBondContact O-N 3.22Å; T291-R323 VanDerWaalsContact O-N 3.09Å; D292-R323 WeakPolarHBondContact CA-O 3.44Å; D292-R323 HydrophobicContact CB-CB 4.08Å; D292-R323 WeakPolarHBondContact OD1-CD 3.37Å; D292-R323 WeakPolarHBondContact OD1-CG 3.42Å; D292-R323 IonicContact OD1-CZ 3.95Å; D292-R323 IonicContact OD1-NE 2.73Å; D292-R323 IonicContact OD1-NH1 3.01Å; D292-R323 PolarHBondContact OD1-NH1 2.97Å; L293-R323 PolarHBondContact N-O 3.08Å
324L96.4Very high94.2Very high41 Ų4150.4 Ų50.422%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-135.9118.1178.3-179.168.1000108.8L293 I315 L326 V341L293-L324 HydrophobicContact CB-CD1 4.29Å; L293-L324 HydrophobicContact CD2-CD1 4.28Å; L293-L324 HydrophobicContact CG-CD1 4.48Å; L293-L324 CarbonylContact O-C 3.54Å; L293-L324 VanDerWaalsContact O-CA 3.29Å; L293-L324 WeakPolarHBondContact O-CA 3.43Å; I315-L324 HydrophobicContact CD1-CD2 3.48Å; I315-L324 VanDerWaalsContact CD1-CD2 3.48Å; I315-L324 HydrophobicContact CG1-CD2 3.98Å; I315-L324 HydrophobicContact CG2-CD2 4.15Å; L324-L326 HydrophobicContact CD1-CB 4.28Å; L324-L326 HydrophobicContact CD2-CB 4.28Å; L324-L326 HydrophobicContact CD2-CD2 4.44Å; L324-L326 HydrophobicContact CG-CB 4.03Å; L324-V341 HydrophobicContact CB-CG2 3.98Å; L324-V341 HydrophobicContact CD2-CG2 4.37Å
325G94.3Very high94.1Very high13 Ų1352.7 Ų52.713%0.13428%0.283CS..EExtended strand (participates in β ladder)trans-97.2107.2164.200000108.7L293 L295 A296L293-G325 PolarHBondContact O-N 3.41Å; L295-G325 CarbonylContact C-O 3.05Å; L295-G325 WeakPolarHBondContact CA-O 3.35Å; L295-G325 PolarHBondContact N-O 2.8Å; A296-G325 PolarHBondContact N-O 3.13Å; A296-G325 VanDerWaalsContact N-O 3.17Å
326L93.4Very high94.1Very high27 Ų2758.5 Ų58.514%0.14131%0.305CS..  trans-154.2130.6177.7-175.867.3000109L276 L295 L311 I315 L324 L328L276-L326 HydrophobicContact CD1-CD1 3.8Å; L295-L326 HydrophobicContact CB-CD1 4.19Å; L311-L326 HydrophobicContact CB-CD2 4.47Å; L311-L326 HydrophobicContact CD1-CD2 4.26Å; I315-L326 HydrophobicContact CD1-CD2 3.88Å; L324-L326 HydrophobicContact CD1-CB 4.28Å; L324-L326 HydrophobicContact CD2-CB 4.28Å; L324-L326 HydrophobicContact CD2-CD2 4.44Å; L324-L326 HydrophobicContact CG-CB 4.03Å; L326-L328 HydrophobicContact CD2-CD1 4.29Å; L326-L328 HydrophobicContact CD2-CD2 3.81Å; L326-L328 HydrophobicContact CD2-CG 4.11Å; L326-L328 HydrophobicContact CG-CD2 4.06Å; L326-L328 HydrophobicContact CG-CG 4.16Å
327D91.1Very high94.1Very high91 Ų9156 Ų5649%0.48729%0.292SS..  trans-91.8116.2178-60.7-41.9000109.5N297N297-D327 PolarHBondContact N-OD2 2.69Å
328L92.4Very high94.1Very high9 Ų961.7 Ų61.75%0.04730%0.297CS..  trans-121131.1178.7-59.6170.7000108.7L303 E308 L311 L326 A333 R334 T337L303-L328 HydrophobicContact CD1-CD2 4.29Å; E308-L328 HydrophobicContact CB-CD2 4.18Å; E308-L328 HydrophobicContact CG-CD2 3.82Å; L311-L328 HydrophobicContact CD1-CD2 4.15Å; L326-L328 HydrophobicContact CD2-CD1 4.29Å; L326-L328 HydrophobicContact CD2-CD2 3.81Å; L326-L328 HydrophobicContact CD2-CG 4.11Å; L326-L328 HydrophobicContact CG-CD2 4.06Å; L326-L328 HydrophobicContact CG-CG 4.16Å; L328-A333 HydrophobicContact CD1-CB 4.13Å; L328-R334 HydrophobicContact CB-CG 3.73Å; L328-R334 WeakPolarHBondContact O-CD 3.27Å; L328-R334 WeakPolarHBondContact O-CG 3.38Å; L328-R334 PolarHBondContact O-NH1 3.1Å; L328-T337 HydrophobicContact CD1-CG2 3.96Å
329E90.3Very high94.2Very high111 Ų11167.5 Ų67.552%0.51932%0.324SS..  trans-86.1-29.6-179.2-72.3-62.6156.700112.5E308 S331 R334E308-E329 WeakPolarHBondContact OE1-CB 3.46Å; E308-E329 PolarHBondContact OE1-N 2.98Å; E308-E329 PolarHBondContact OE2-N 2.95Å; E329-S331 PolarHBondContact O-N 3.03Å; E329-R334 PolarHBondContact O-NH1 3.4Å
330T92.4Very high94.4Very high43 Ų4366.3 Ų66.326%0.26431%0.313SS..  trans-72.7123.4176.7-530000110.5E308 D332 A333 R334E308-T330 WeakPolarHBondContact OE2-CA 3.26Å; E308-T330 WeakPolarHBondContact OE2-CB 3.38Å; E308-T330 PolarHBondContact OE2-N 3.27Å; E308-T330 PolarHBondContact OE2-OG1 3.24Å; T330-D332 HydrophobicContact CG2-CB 4.36Å; T330-D332 PolarHBondContact O-N 3.09Å; T330-A333 HydrophobicContact CG2-CB 4.38Å; T330-A333 PolarHBondContact O-N 2.88Å; T330-R334 PolarHBondContact O-N 2.71Å
331S92.1Very high94.6Very high76 Ų7664.5 Ų64.553%0.53131%0.308SS..Hα-helixtrans-59.2-44.1-179.253.40000113.4E329 R334 V335E329-S331 PolarHBondContact O-N 3.03Å; S331-R334 PolarHBondContact O-N 3.03Å; S331-V335 WeakPolarHBondContact O-CG2 3.5Å; S331-V335 PolarHBondContact O-N 2.96Å
332D93.5Very high94.6Very high77 Ų7770.8 Ų70.841%0.41234%0.335SS..Hα-helixtrans-60.7-45.6177.5178.371000111.7T330 R334 V335 R336T330-D332 HydrophobicContact CG2-CB 4.36Å; T330-D332 PolarHBondContact O-N 3.09Å; D332-R334 PolarHBondContact O-N 3.17Å; D332-V335 PolarHBondContact O-N 3.46Å; D332-R336 WeakPolarHBondContact O-CG 3.47Å; D332-R336 PolarHBondContact O-N 3.27Å; D332-R336 IonicContact OD1-CZ 3.92Å; D332-R336 VanDerWaalsContact OD1-CZ 3.29Å; D332-R336 IonicContact OD1-NE 3.6Å; D332-R336 PolarHBondContact OD1-NE 3.27Å; D332-R336 IonicContact OD1-NH2 2.85Å; D332-R336 PolarHBondContact OD1-NH2 3Å; D332-R336 IonicContact OD2-CZ 3.61Å; D332-R336 IonicContact OD2-NE 3.41Å; D332-R336 PolarHBondContact OD2-NE 3.48Å; D332-R336 IonicContact OD2-NH1 3.99Å; D332-R336 IonicContact OD2-NH2 3.66Å; D332-R336 PolarHBondContact OD2-NH2 3.34Å; D332-R336 VanDerWaalsContact OD2-NH2 3.13Å
333A94.1Very high94.6Very high5 Ų573 Ų734%0.04135%0.352CS..Hα-helixtrans-60.1-46.8177.100000111.6E308 T312 L328 T330 V335 T337E308-A333 HydrophobicContact CB-CB 4.48Å; T312-A333 VanDerWaalsContact OG1-CB 3.31Å; T312-A333 WeakPolarHBondContact OG1-CB 3.37Å; L328-A333 HydrophobicContact CD1-CB 4.13Å; T330-A333 HydrophobicContact CG2-CB 4.38Å; T330-A333 PolarHBondContact O-N 2.88Å; A333-V335 PolarHBondContact O-N 3.19Å; A333-T337 WeakPolarHBondContact O-CB 3.46Å; A333-T337 VanDerWaalsContact O-CG2 3.27Å; A333-T337 WeakPolarHBondContact O-CG2 3.32Å; A333-T337 PolarHBondContact O-N 2.93Å; A333-T337 PolarHBondContact O-OG1 3.12Å
334R94.6Very high94.6Very high108 Ų10866 Ų6641%0.40833%0.326SS..Hα-helixtrans-58.1-47.3175.5-77.4-164.4-59.7-88.8-0112.9L328 E329 T330 S331 D332 T337 R338L328-R334 HydrophobicContact CB-CG 3.73Å; L328-R334 WeakPolarHBondContact O-CD 3.27Å; L328-R334 WeakPolarHBondContact O-CG 3.38Å; L328-R334 PolarHBondContact O-NH1 3.1Å; E329-R334 PolarHBondContact O-NH1 3.4Å; T330-R334 PolarHBondContact O-N 2.71Å; S331-R334 PolarHBondContact O-N 3.03Å; D332-R334 PolarHBondContact O-N 3.17Å; R334-T337 PolarHBondContact O-OG1 3.44Å; R334-T337 VanDerWaalsContact O-OG1 3.12Å; R334-R338 WeakPolarHBondContact O-CB 3.48Å; R334-R338 PolarHBondContact O-N 3.14Å
335V96.6Very high94.5Very high75 Ų7567.6 Ų67.646%0.45533%0.334SS..Hα-helixtrans-65.2-50.5-176.4172.40000110.1S331 D332 A333 T337 R338 E339S331-V335 WeakPolarHBondContact O-CG2 3.5Å; S331-V335 PolarHBondContact O-N 2.96Å; D332-V335 PolarHBondContact O-N 3.46Å; A333-V335 PolarHBondContact O-N 3.19Å; V335-T337 PolarHBondContact O-N 3.36Å; V335-R338 PolarHBondContact O-N 3.37Å; V335-E339 HydrophobicContact CG1-CG 4.36Å; V335-E339 WeakPolarHBondContact O-CB 3.38Å; V335-E339 WeakPolarHBondContact O-CG 3.26Å; V335-E339 PolarHBondContact O-N 2.86Å
336R96.6Very high94.5Very high123 Ų12370.2 Ų70.246%0.46435%0.345SS..Hα-helixtrans-63.1-45.9-178.1-68.1-174.1-164.2-172.26.8112.9T312 L316 D332 E339 H340T312-R336 HydrophobicContact CG2-CB 4.3Å; L316-R336 HydrophobicContact CD2-CB 4.49Å; D332-R336 WeakPolarHBondContact O-CG 3.47Å; D332-R336 PolarHBondContact O-N 3.27Å; D332-R336 IonicContact OD1-CZ 3.92Å; D332-R336 VanDerWaalsContact OD1-CZ 3.29Å; D332-R336 IonicContact OD1-NE 3.6Å; D332-R336 PolarHBondContact OD1-NE 3.27Å; D332-R336 IonicContact OD1-NH2 2.85Å; D332-R336 PolarHBondContact OD1-NH2 3Å; D332-R336 IonicContact OD2-CZ 3.61Å; D332-R336 IonicContact OD2-NE 3.41Å; D332-R336 PolarHBondContact OD2-NE 3.48Å; D332-R336 IonicContact OD2-NH1 3.99Å; D332-R336 IonicContact OD2-NH2 3.66Å; D332-R336 PolarHBondContact OD2-NH2 3.34Å; D332-R336 VanDerWaalsContact OD2-NH2 3.13Å; R336-E339 PolarHBondContact O-N 2.98Å; R336-H340 WeakPolarHBondContact O-CB 3.27Å; R336-H340 PolarHBondContact O-N 2.81Å
337T96.1Very high94.5Very high10 Ų1073.3 Ų73.36%0.06136%0.355CS..Hα-helixtrans-62.5-43.8178.152.10000111.3T312 I315 L328 A333 R334 V335 H340 V341T312-T337 HydrophobicContact CG2-CG2 4.03Å; I315-T337 HydrophobicContact CB-CG2 4.17Å; I315-T337 HydrophobicContact CD1-CG2 3.63Å; I315-T337 HydrophobicContact CG2-CG2 4.03Å; L328-T337 HydrophobicContact CD1-CG2 3.96Å; A333-T337 WeakPolarHBondContact O-CB 3.46Å; A333-T337 VanDerWaalsContact O-CG2 3.27Å; A333-T337 WeakPolarHBondContact O-CG2 3.32Å; A333-T337 PolarHBondContact O-N 2.93Å; A333-T337 PolarHBondContact O-OG1 3.12Å; R334-T337 PolarHBondContact O-OG1 3.44Å; R334-T337 VanDerWaalsContact O-OG1 3.12Å; V335-T337 PolarHBondContact O-N 3.36Å; T337-H340 PolarHBondContact O-N 3.23Å; T337-V341 WeakPolarHBondContact O-CB 3.17Å; T337-V341 VanDerWaalsContact O-CG2 3.26Å; T337-V341 WeakPolarHBondContact O-CG2 3.3Å; T337-V341 PolarHBondContact O-N 3.19Å
338R95.5Very high94.6Very high200 Ų20071.3 Ų71.376%0.75535%0.346SS*.Hα-helixtrans-63.6-44.5177-174.9-179.1179.495-1.3112.5R334 V335 H340 K342R334-R338 WeakPolarHBondContact O-CB 3.48Å; R334-R338 PolarHBondContact O-N 3.14Å; V335-R338 PolarHBondContact O-N 3.37Å; R338-H340 VanDerWaalsContact C-N 3.35Å; R338-K342 WeakPolarHBondContact O-CB 3.23Å; R338-K342 PolarHBondContact O-N 3.03Å
339E96.4Very high94.5Very high125 Ų12572.8 Ų72.858%0.58436%0.357SS*.Hα-helixtrans-62.9-42177.8-76.5-179171.100111.8V335 R336 K342 S343V335-E339 HydrophobicContact CG1-CG 4.36Å; V335-E339 WeakPolarHBondContact O-CB 3.38Å; V335-E339 WeakPolarHBondContact O-CG 3.26Å; V335-E339 PolarHBondContact O-N 2.86Å; R336-E339 PolarHBondContact O-N 2.98Å; E339-K342 PolarHBondContact O-N 2.97Å; E339-S343 WeakPolarHBondContact O-CB 3.49Å; E339-S343 PolarHBondContact O-N 3.2Å
340H96.6Very high94.5Very high34 Ų3476.1 Ų76.116%0.15736%0.364CS..Hα-helixtrans-64.5-49.5177.4-178.472.8000112.5I315 L316 N318 R336 T337 R338 K342 S343 N344I315-H340 PolarHBondContact O-CD2 2.98Å; I315-H340 PolarHBondContact O-NE2 3.02Å; L316-H340 HydrophobicContact CD2-CB 3.5Å; L316-H340 PolarHBondContact O-CE1 3.44Å; L316-H340 PolarHBondContact O-NE2 3.1Å; N318-H340 PolarHBondContact O-NE2 3.07Å; R336-H340 WeakPolarHBondContact O-CB 3.27Å; R336-H340 PolarHBondContact O-N 2.81Å; T337-H340 PolarHBondContact O-N 3.23Å; R338-H340 VanDerWaalsContact C-N 3.35Å; H340-K342 VanDerWaalsContact C-N 3.29Å; H340-K342 PolarHBondContact O-N 3.34Å; H340-S343 WeakPolarHBondContact O-CB 3.34Å; H340-S343 PolarHBondContact O-N 2.78Å; H340-S343 VanDerWaalsContact O-N 3.15Å; H340-N344 PolarHBondContact CD2-ND2 3.19Å; H340-N344 PolarHBondContact NE2-ND2 3.41Å; H340-N344 VanDerWaalsContact O-CG 3.31Å; H340-N344 PolarHBondContact O-N 3.3Å; H340-N344 PolarHBondContact O-ND2 3.24Å
341V96.6Very high94.3Very high19 Ų1979.3 Ų79.312%0.11538%0.376CS..Hα-helixtrans-60.8-40.4177.1173.30000110.8I315 V322 L324 T337 N344 L345I315-V341 HydrophobicContact CG2-CG2 4.44Å; V322-V341 WeakPolarHBondContact O-CG1 3.5Å; L324-V341 HydrophobicContact CB-CG2 3.98Å; L324-V341 HydrophobicContact CD2-CG2 4.37Å; T337-V341 WeakPolarHBondContact O-CB 3.17Å; T337-V341 VanDerWaalsContact O-CG2 3.26Å; T337-V341 WeakPolarHBondContact O-CG2 3.3Å; T337-V341 PolarHBondContact O-N 3.19Å; V341-N344 PolarHBondContact O-N 2.82Å; V341-L345 PolarHBondContact O-N 2.86Å
342K95.8Very high94.2Very high131 Ų13180.6 Ų80.657%0.5738%0.377SS*.Hα-helixtrans-62-45.3173.5-179.5179.4175.9179.20112.2R338 E339 H340 N344 L345 D346R338-K342 WeakPolarHBondContact O-CB 3.23Å; R338-K342 PolarHBondContact O-N 3.03Å; E339-K342 PolarHBondContact O-N 2.97Å; H340-K342 VanDerWaalsContact C-N 3.29Å; H340-K342 PolarHBondContact O-N 3.34Å; K342-N344 VanDerWaalsContact C-N 3.32Å; K342-N344 PolarHBondContact O-N 3.04Å; K342-L345 WeakPolarHBondContact O-CB 3.26Å; K342-L345 PolarHBondContact O-N 3.03Å; K342-D346 PolarHBondContact O-N 3.14Å
343S96.3Very high93.9Very high67 Ų6785.8 Ų85.847%0.46939%0.391SS..Hα-helixtrans-61.3-40.5177.3-176.90000111.9E339 H340 D346 R347E339-S343 WeakPolarHBondContact O-CB 3.49Å; E339-S343 PolarHBondContact O-N 3.2Å; H340-S343 WeakPolarHBondContact O-CB 3.34Å; H340-S343 PolarHBondContact O-N 2.78Å; H340-S343 VanDerWaalsContact O-N 3.15Å; S343-D346 PolarHBondContact O-N 3.39Å; S343-R347 WeakPolarHBondContact O-CB 3.38Å; S343-R347 PolarHBondContact O-N 3.06Å
344N95.1Very high93.5Very high2 Ų295.2 Ų95.21%0.01143%0.425CS..Hα-helixtrans-63.1-46.7174.5-67.8-23.8000111.7P319 L321 H340 V341 K342 D346 R347 V348P319-N344 PolarHBondContact O-ND2 2.98Å; P319-N344 PolarHBondContact O-OD1 2.88Å; L321-N344 VanDerWaalsContact O-CB 3.25Å; L321-N344 WeakPolarHBondContact O-CB 3.43Å; L321-N344 PolarHBondContact O-ND2 3.27Å; H340-N344 PolarHBondContact CD2-ND2 3.19Å; H340-N344 PolarHBondContact NE2-ND2 3.41Å; H340-N344 VanDerWaalsContact O-CG 3.31Å; H340-N344 PolarHBondContact O-N 3.3Å; H340-N344 PolarHBondContact O-ND2 3.24Å; V341-N344 PolarHBondContact O-N 2.82Å; K342-N344 VanDerWaalsContact C-N 3.32Å; K342-N344 PolarHBondContact O-N 3.04Å; N344-D346 VanDerWaalsContact C-N 3.35Å; N344-D346 PolarHBondContact O-N 3.08Å; N344-R347 PolarHBondContact O-N 2.88Å; N344-R347 PolarHBondContact OD1-NH1 3.35Å; N344-R347 PolarHBondContact OD1-NH2 2.96Å; N344-V348 WeakPolarHBondContact O-CG2 3.25Å; N344-V348 PolarHBondContact O-N 3.32Å
345L95.2Very high92.9Very high73 Ų7396.2 Ų96.238%0.38244%0.439SS..Hα-helixtrans-58.4-45175.5176.161.4000112.1V322 V341 K342 R347 V348 S349V322-L345 HydrophobicContact CG1-CB 3.89Å; V322-L345 HydrophobicContact CG1-CD1 3.4Å; V322-L345 HydrophobicContact CG1-CG 4.18Å; V341-L345 PolarHBondContact O-N 2.86Å; K342-L345 WeakPolarHBondContact O-CB 3.26Å; K342-L345 PolarHBondContact O-N 3.03Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 2.82Å; L345-V348 PolarHBondContact O-N 3.48Å; L345-S349 VanDerWaalsContact O-CB 3.29Å; L345-S349 WeakPolarHBondContact O-CB 3.26Å; L345-S349 PolarHBondContact O-N 2.9Å; L345-S349 PolarHBondContact O-OG 3.22Å
346D94.7Very high91.9Very high69 Ų69101.2 Ų101.237%0.36945%0.454SS..Hα-helixtrans-63.1-41.2178-77.1-19.9000111.3K342 S343 N344 S349 R350K342-D346 PolarHBondContact O-N 3.14Å; S343-D346 PolarHBondContact O-N 3.39Å; N344-D346 VanDerWaalsContact C-N 3.35Å; N344-D346 PolarHBondContact O-N 3.08Å; D346-S349 PolarHBondContact O-N 2.95Å; D346-R350 WeakPolarHBondContact O-CB 3.46Å; D346-R350 VanDerWaalsContact O-CG 3.26Å; D346-R350 WeakPolarHBondContact O-CG 3.39Å; D346-R350 PolarHBondContact O-N 2.99Å
347R93.4Very high90.2Very high92 Ų92104.8 Ų104.835%0.34748%0.483SS..Hα-helixtrans-62.4-48.5176.8-174.8175.865.1-108.1-5111.5P319 S343 N344 L345 S349 R350 Q351P319-R347 PolarHBondContact O-NH2 2.9Å; S343-R347 WeakPolarHBondContact O-CB 3.38Å; S343-R347 PolarHBondContact O-N 3.06Å; N344-R347 PolarHBondContact O-N 2.88Å; N344-R347 PolarHBondContact OD1-NH1 3.35Å; N344-R347 PolarHBondContact OD1-NH2 2.96Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 2.82Å; R347-S349 VanDerWaalsContact C-N 3.34Å; R347-S349 PolarHBondContact O-N 3.33Å; R347-R350 PolarHBondContact O-N 3.32Å; R347-Q351 WeakPolarHBondContact O-CG 3.47Å; R347-Q351 PolarHBondContact O-N 2.97Å
348V91.3Very high89.9Confident49 Ų49109.6 Ų109.630%0.29750%0.504SS..Hα-helixtrans-62.2-43.4177.4173.20000110.6V322 N344 L345 R350 Q351 L352V322-V348 HydrophobicContact CG2-CG2 3.99Å; N344-V348 WeakPolarHBondContact O-CG2 3.25Å; N344-V348 PolarHBondContact O-N 3.32Å; L345-V348 PolarHBondContact O-N 3.48Å; V348-R350 VanDerWaalsContact C-N 3.34Å; V348-R350 PolarHBondContact O-N 3.4Å; V348-Q351 PolarHBondContact O-N 3.48Å; V348-L352 HydrophobicContact CG1-CD1 4.07Å; V348-L352 HydrophobicContact CG1-CG 4.43Å; V348-L352 WeakPolarHBondContact O-CG 3.23Å; V348-L352 PolarHBondContact O-N 3.46Å
349S90.9Very high89.6Confident40 Ų40104.8 Ų104.828%0.2849%0.49SS..Hα-helixtrans-61.5-40177.7-61.90000112.5L345 D346 R347 R353L345-S349 VanDerWaalsContact O-CB 3.29Å; L345-S349 WeakPolarHBondContact O-CB 3.26Å; L345-S349 PolarHBondContact O-N 2.9Å; L345-S349 PolarHBondContact O-OG 3.22Å; D346-S349 PolarHBondContact O-N 2.95Å; R347-S349 VanDerWaalsContact C-N 3.34Å; R347-S349 PolarHBondContact O-N 3.33Å; S349-R353 WeakPolarHBondContact O-CG 3.39Å; S349-R353 PolarHBondContact O-N 3.35Å; S349-R353 VanDerWaalsContact O-N 3.1Å
350R91.2Very high89.3Confident181 Ų181103.7 Ų103.768%0.68349%0.485SS*.Hα-helixtrans-65.9-42174.9-73.2172.7-171.8-175.84.2111.9D346 R347 V348 R353 R354D346-R350 WeakPolarHBondContact O-CB 3.46Å; D346-R350 VanDerWaalsContact O-CG 3.26Å; D346-R350 WeakPolarHBondContact O-CG 3.39Å; D346-R350 PolarHBondContact O-N 2.99Å; R347-R350 PolarHBondContact O-N 3.32Å; V348-R350 VanDerWaalsContact C-N 3.34Å; V348-R350 PolarHBondContact O-N 3.4Å; R350-R353 PolarHBondContact O-N 2.97Å; R350-R354 PolarHBondContact O-N 3.24Å
351Q88.4Confident88.8Confident109 Ų109107.8 Ų107.851%0.50950%0.504SS..Hα-helixtrans-62.9-43.8176.6-72.5174.6-12.400111.7R347 V348 R353 R354 N355R347-Q351 WeakPolarHBondContact O-CG 3.47Å; R347-Q351 PolarHBondContact O-N 2.97Å; V348-Q351 PolarHBondContact O-N 3.48Å; Q351-R353 VanDerWaalsContact C-N 3.33Å; Q351-R353 PolarHBondContact O-N 3.42Å; Q351-R354 PolarHBondContact O-N 2.86Å; Q351-N355 PolarHBondContact O-N 3.33Å
352L88.6Confident88.3Confident103 Ų103113.3 Ų113.354%0.53953%0.529SS..Hα-helixtrans-62.2-38.5176.3-71.9171.9000112.7V348 K356V348-L352 HydrophobicContact CG1-CD1 4.07Å; V348-L352 HydrophobicContact CG1-CG 4.43Å; V348-L352 WeakPolarHBondContact O-CG 3.23Å; V348-L352 PolarHBondContact O-N 3.46Å; L352-K356 WeakPolarHBondContact O-CG 3.47Å; L352-K356 PolarHBondContact O-N 3.1Å
353R88.4Confident87.8Confident187 Ų187112.1 Ų112.171%0.70653%0.526SS*.Hα-helixtrans-66.9-39.2174.5-71.5175-172.4-173.92.9111.9S349 R350 Q351 K356S349-R353 WeakPolarHBondContact O-CG 3.39Å; S349-R353 PolarHBondContact O-N 3.35Å; S349-R353 VanDerWaalsContact O-N 3.1Å; R350-R353 PolarHBondContact O-N 2.97Å; Q351-R353 VanDerWaalsContact C-N 3.33Å; Q351-R353 PolarHBondContact O-N 3.42Å; R353-K356 PolarHBondContact O-N 2.98Å
354R85.6Confident87.2Confident202 Ų202115.4 Ų115.476%0.76253%0.53SS*.Hα-helixtrans-68.1-35.2178.5-174.6176.5169.5178.4-3.4112.6R350 Q351 K356 N357R350-R354 PolarHBondContact O-N 3.24Å; Q351-R354 PolarHBondContact O-N 2.86Å; R354-K356 VanDerWaalsContact C-N 3.32Å; R354-N357 VanDerWaalsContact O-OXT 3.06Å
355N82Confident86.6Confident130 Ų130124.1 Ų124.170%0.69557%0.57SS**Hα-helixtrans-80.2-11.3179.6-67.9-3.5000113.9Q351Q351-N355 PolarHBondContact O-N 3.33Å
356K76.1Confident85.9Confident180 Ų180128.3 Ų128.378%0.78359%0.586SS**Hα-helixtrans-84.3-19.4174.8-80.9-175.6179.2-170.60113.2L352 R353 R354L352-K356 WeakPolarHBondContact O-CG 3.47Å; L352-K356 PolarHBondContact O-N 3.1Å; R353-K356 PolarHBondContact O-N 2.98Å; R354-K356 VanDerWaalsContact C-N 3.32Å
357N60.5Low85.1Confident198 Ų198133.7 Ų133.7100%1.05961%0.605SS**  trans-97.90172.5-65.3-9.6000109R354R354-N357 VanDerWaalsContact O-OXT 3.06Å

Retrieved 357 of 357 residues in 68.4 ms (Link to these results)