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Eukaryotic initiation factor 4A-III

ATP-dependent RNA helicase1. Involved in pre-mRNA splicing as component of the spliceosome2,3,4,5,6. Core component of the splicing-dependent multiprotein exon junction complex (EJC) deposited at splice junctions on mRNAs7,8,9,10,11,12,13. The EJC is a dynamic structure consisting of core proteins and several peripheral nuclear and cytoplasmic associated factors that join the complex only transiently either during EJC assembly or during subsequent mRNA metabolism. The EJC marks the position of the exon-exon junction in the mature mRNA for the gene expression machinery and the core components remain bound to spliced mRNAs throughout all stages of mRNA metabolism thereby influencing downstream processes including nuclear mRNA export, subcellular mRNA localization, translation efficiency and nonsense-mediated mRNA decay (NMD). Its RNA-dependent ATPase and RNA-helicase activities are induced by CASC3, but abolished in presence of the MAGOH-RBM8A heterodimer, thereby trapping the ATP-bound EJC core onto spliced mRNA in a stable conformation. The inhibition of ATPase activity by the MAGOH-RBM8A heterodimer increases the RNA-binding affinity of the EJC. Involved in translational enhancement of spliced mRNAs after formation of the 80S ribosome complex. Binds spliced mRNA in sequence-independent manner, 20-24 nucleotides upstream of mRNA exon-exon junctions. Shows higher affinity for single-stranded RNA in an ATP-bound core EJC complex than after the ATP is hydrolyzed. Involved in the splicing modulation of BCL2L1/Bcl-X (and probably other apoptotic genes); specifically inhibits formation of proapoptotic isoforms such as Bcl-X(S); the function is different from the established EJC assembly14. Involved in craniofacial development15.

AlphaFold DB , UniProt , Accession P38919, Species HUMAN (Homo sapiens, Human), Gene EIF4A3, Length 411 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
1M41.4Very low37.9Very low238 Ų238133.1 Ų133.1100%1.17286%0.864SS**  097.50-70.2-164.7-100.500106.3
2A38.3Very low37.6Very low88 Ų88130.9 Ų130.973%0.72786%0.855SS**  6212298.400000110.2
3T36.8Very low37.7Very low124 Ų124129.2 Ų129.276%0.76186%0.857SS**  cis-176.8125.333.81.80000109.3
4T37.8Very low37.5Very low130 Ų130136.4 Ų136.480%0.79886%0.858SS**  37.7128.6129.647.70000122.7
5A40Very low37.4Very low106 Ų106140.1 Ų140.188%0.87686%0.857SS**  -161.1117.2125.100000111.4
6T37.8Very low37Very low134 Ų134145.6 Ų145.682%0.82286%0.857SS**  trans-75.5146.4175.228.60000113.6
7M39.4Very low37Very low200 Ų200145.9 Ų145.999%0.98585%0.853SS**  trans-147.8114.4136.9-91-164.6-176.500110.4
8A36.5Very low37Very low98 Ų98145.9 Ų145.981%0.8185%0.848SS**  trans-104.3135.1166.800000108.2
9T39.4Very low37Very low148 Ų148148.5 Ų148.591%0.90885%0.848SS**  trans-131.2117159.746.20000108.9
10S38.4Very low37.6Very low119 Ų119150.3 Ų150.383%0.83285%0.849SS**  trans-76.6138.5-173.848.90000114.2
11G31.6Very low38.4Very low79 Ų79151 Ų15181%0.81485%0.845SS**  54.9105.612500000120.5
12S33.9Very low39.4Very low107 Ų107145.4 Ų145.475%0.74882%0.82SS**  trans-163.975.6137.8170.30000110.2R14S12-R14 PolarHBondContact O-N 3.21Å; S12-R14 VanDerWaalsContact O-N 3.16Å
13A39.4Very low40.9Very low108 Ų108142.8 Ų142.889%0.89379%0.793SS**  trans-79.487.1164.700000109K15A13-K15 PolarHBondContact O-N 2.62Å; A13-K15 VanDerWaalsContact O-N 3.16Å
14R34.3Very low42.3Very low231 Ų231140.7 Ų140.787%0.87278%0.78SS**  trans-79.194.2177.1-148.6173.5-171.7174.71.9108.7S12 R16S12-R14 PolarHBondContact O-N 3.21Å; S12-R14 VanDerWaalsContact O-N 3.16Å; R14-R16 PolarHBondContact O-N 2.82Å; R14-R16 VanDerWaalsContact O-N 3.08Å
15K35.9Very low43.9Very low191 Ų191143.2 Ų143.283%0.8378%0.78SS**  trans-56.1106.2164.2-105177.8174.4177.80108.5A13 L17A13-K15 PolarHBondContact O-N 2.62Å; A13-K15 VanDerWaalsContact O-N 3.16Å; K15-L17 VanDerWaalsContact C-N 3.33Å; K15-L17 PolarHBondContact O-N 3.16Å; K15-L17 VanDerWaalsContact O-N 3.16Å
16R32Very low45.7Very low229 Ų229141 Ų14186%0.86476%0.756SS**  trans-81.784.9168.7-161.1174.7177.7-176.1-2.4107.3R14 L18R14-R16 PolarHBondContact O-N 2.82Å; R14-R16 VanDerWaalsContact O-N 3.08Å; R16-L18 PolarHBondContact O-N 2.76Å
17L35.5Very low47.7Very low150 Ų150142.8 Ų142.879%0.78576%0.755SS**  trans-64.4105159-81147.3000106K15 K19K15-L17 VanDerWaalsContact C-N 3.33Å; K15-L17 PolarHBondContact O-N 3.16Å; K15-L17 VanDerWaalsContact O-N 3.16Å; L17-K19 PolarHBondContact O-N 3.25Å; L17-K19 VanDerWaalsContact O-N 3.15Å
18L37Very low49.8Very low147 Ų147135 Ų13577%0.7772%0.715SS**  trans-58.6114.8161.5-76.2153.2000105.5R16 E20R16-L18 PolarHBondContact O-N 2.76Å; L18-E20 PolarHBondContact O-N 3.19Å; L18-E20 VanDerWaalsContact O-N 3.08Å
19K38Very low52.2Low195 Ų195137.1 Ų137.185%0.84871%0.708SS**  trans-56.3115163.6-77.9178.5172-177.40105.3L17 E21L17-K19 PolarHBondContact O-N 3.25Å; L17-K19 VanDerWaalsContact O-N 3.15Å; K19-E21 VanDerWaalsContact C-N 3.29Å; K19-E21 PolarHBondContact O-N 2.85Å
20E48.6Very low54.7Low184 Ų184132.8 Ų132.886%0.8668%0.682SS**  trans-61.3101.9162.6-73.5179150.900105.2L18 D22L18-E20 PolarHBondContact O-N 3.19Å; L18-E20 VanDerWaalsContact O-N 3.08Å; E20-D22 PolarHBondContact O-N 2.92Å
21E55Low57.3Low166 Ų166128 Ų12878%0.77665%0.649SS**  trans-60.1124.8166.7-76.6179.8164.500106.6K19 M23K19-E21 VanDerWaalsContact C-N 3.29Å; K19-E21 PolarHBondContact O-N 2.85Å; E21-M23 VanDerWaalsContact C-N 3.32Å; E21-M23 WeakPolarHBondContact O-CG 3.41Å; E21-M23 PolarHBondContact O-N 2.95Å
22D61.3Low60.2Low119 Ų119133.5 Ų133.564%0.63665%0.653SS**  trans-64.595.4178.1-175.71.8000108.3E20 T24E20-D22 PolarHBondContact O-N 2.92Å; D22-T24 VanDerWaalsContact CG-OG1 3.31Å; D22-T24 PolarHBondContact O-N 3.39Å; D22-T24 VanDerWaalsContact OD1-CB 3.31Å; D22-T24 WeakPolarHBondContact OD1-CB 3.27Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.33Å; D22-T24 PolarHBondContact OD1-N 3.27Å; D22-T24 PolarHBondContact OD1-OG1 3.14Å
23M69.7Low63Low33 Ų33133 Ų13316%0.16364%0.639CS.*G310 helixtrans-78.2-3.8-175.4-64.8-139.9-53.100113.1E21 K25 V26 F28 H223 E227 N230E21-M23 VanDerWaalsContact C-N 3.32Å; E21-M23 WeakPolarHBondContact O-CG 3.41Å; E21-M23 PolarHBondContact O-N 2.95Å; M23-K25 PolarHBondContact O-N 2.95Å; M23-V26 HydrophobicContact CB-CG2 4.17Å; M23-V26 HydrophobicContact CG-CG2 4.43Å; M23-V26 WeakPolarHBondContact O-CB 3.43Å; M23-V26 PolarHBondContact O-N 3.13Å; M23-F28 HydrophobicContact CE-CZ 4.17Å; M23-H223 PolarHBondContact O-CE1 3.43Å; M23-H223 PolarHBondContact O-NE2 3.06Å; M23-E227 HydrophobicContact CB-CG 3.97Å; M23-E227 VanDerWaalsContact CE-CA 3.41Å; M23-E227 HydrophobicContact CE-CB 3.85Å; M23-E227 HydrophobicContact CE-CG 4.01Å; M23-N230 HydrophobicContact CE-CB 4.4Å; M23-N230 WeakPolarHBondContact CE-ND2 3.45Å; M23-N230 PolarHBondContact SD-ND2 3.31Å
24T66.6Low65.6Low81 Ų81129 Ų12950%0.49760%0.604SS.*G310 helixtrans-59.7-16.3-172.658.90000114.4D22 E227D22-T24 VanDerWaalsContact CG-OG1 3.31Å; D22-T24 PolarHBondContact O-N 3.39Å; D22-T24 VanDerWaalsContact OD1-CB 3.31Å; D22-T24 WeakPolarHBondContact OD1-CB 3.27Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.33Å; D22-T24 PolarHBondContact OD1-N 3.27Å; D22-T24 PolarHBondContact OD1-OG1 3.14Å; T24-E227 WeakPolarHBondContact CA-OE1 3.32Å; T24-E227 PolarHBondContact N-OE1 3.4Å
25K71.5Confident68.5Low183 Ų183121 Ų12180%0.79658%0.578SS**G310 helixtrans-115.45.6178.7-60.6-172.3179.8-178.20114.5M23 E27M23-K25 PolarHBondContact O-N 2.95Å; K25-E27 PolarHBondContact O-N 3.45Å
26V78.6Confident71.3Confident60 Ų60115.4 Ų115.436%0.36456%0.559SS.*  trans-71.1124-179.9175.20000109.3M23 F28 H223M23-V26 HydrophobicContact CB-CG2 4.17Å; M23-V26 HydrophobicContact CG-CG2 4.43Å; M23-V26 WeakPolarHBondContact O-CB 3.43Å; M23-V26 PolarHBondContact O-N 3.13Å; V26-F28 HydrophobicContact CB-CE2 4.31Å; V26-F28 HydrophobicContact CB-CZ 4.33Å; V26-F28 HydrophobicContact CG1-CD1 4.26Å; V26-F28 HydrophobicContact CG1-CD2 4.46Å; V26-F28 HydrophobicContact CG1-CE1 4.07Å; V26-F28 HydrophobicContact CG1-CE2 4.29Å; V26-F28 HydrophobicContact CG1-CG 4.46Å; V26-F28 HydrophobicContact CG1-CZ 4.09Å; V26-F28 PolarHBondContact O-N 2.89Å; V26-H223 PolarHBondContact O-NE2 3.44Å
27E80.1Confident74.3Confident170 Ų170105.1 Ų105.179%0.79452%0.522SS*.  trans-79.8112.1168.5-68.6-175.6170.700108.4K25K25-E27 PolarHBondContact O-N 3.45Å
28F82.3Confident77.1Confident37 Ų37101.8 Ų101.816%0.16251%0.509CS..  trans-88123.5177.2-68.2-79.7000109.8M23 V26 H223 L226 L240M23-F28 HydrophobicContact CE-CZ 4.17Å; V26-F28 HydrophobicContact CB-CE2 4.31Å; V26-F28 HydrophobicContact CB-CZ 4.33Å; V26-F28 HydrophobicContact CG1-CD1 4.26Å; V26-F28 HydrophobicContact CG1-CD2 4.46Å; V26-F28 HydrophobicContact CG1-CE1 4.07Å; V26-F28 HydrophobicContact CG1-CE2 4.29Å; V26-F28 HydrophobicContact CG1-CG 4.46Å; V26-F28 HydrophobicContact CG1-CZ 4.09Å; V26-F28 PolarHBondContact O-N 2.89Å; F28-H223 AromaticContact CD2-CD2 3.86Å; F28-H223 AromaticContact CD2-NE2 3.89Å; F28-H223 AromaticContact CE2-CD2 3.81Å; F28-H223 AromaticContact CE2-CE1 3.99Å; F28-H223 AromaticContact CE2-NE2 3.49Å; F28-H223 WeakPolarHBondContact CE2-NE2 3.33Å; F28-L226 HydrophobicContact CB-CD1 3.89Å; F28-L226 HydrophobicContact CD2-CB 3.94Å; F28-L226 HydrophobicContact CD2-CD1 3.59Å; F28-L226 HydrophobicContact CD2-CG 4.4Å; F28-L226 HydrophobicContact CE1-CB 4.42Å; F28-L226 HydrophobicContact CE2-CB 3.72Å; F28-L226 HydrophobicContact CE2-CD1 4.24Å; F28-L226 HydrophobicContact CG-CB 4.37Å; F28-L226 HydrophobicContact CG-CD1 3.8Å; F28-L226 HydrophobicContact CZ-CB 3.98Å; F28-L240 HydrophobicContact CB-CD1 3.63Å; F28-L240 WeakPolarHBondContact O-CD1 3.4Å
29E88Confident80Confident142 Ų14297.2 Ų97.266%0.66449%0.488SS*.  trans-117166.6177-60.3-165.6156.900111.7R238E29-R238 WeakPolarHBondContact O-CB 3.19Å
30T91Very high82.8Confident58 Ų5888 Ų8836%0.35645%0.448SS..  trans-65.7132.4169.9-69.30000109.3V34 R238 L240T30-V34 HydrophobicContact CG2-CB 4.08Å; T30-V34 HydrophobicContact CG2-CG1 4.33Å; T30-V34 HydrophobicContact CG2-CG2 4.04Å; T30-R238 CarbonylContact C-O 3.57Å; T30-R238 VanDerWaalsContact CA-O 3.29Å; T30-R238 WeakPolarHBondContact CA-O 3.43Å; T30-R238 WeakPolarHBondContact CG2-O 3.38Å; T30-L240 PolarHBondContact OG1-N 2.9Å; T30-L240 PolarHBondContact OG1-O 3.46Å
31S93.3Very high85.1Confident19 Ų1983.9 Ų83.913%0.13343%0.432CS..  trans-59.9139.9-179.9-68.20000112.1E33 V34 R238S31-E33 WeakPolarHBondContact CB-OE2 3.4Å; S31-E33 PolarHBondContact O-N 3.26Å; S31-V34 WeakPolarHBondContact O-CB 3.43Å; S31-V34 VanDerWaalsContact O-CG2 3.27Å; S31-V34 WeakPolarHBondContact O-CG2 3.43Å; S31-V34 PolarHBondContact O-N 3.39Å; S31-R238 PolarHBondContact N-O 2.98Å; S31-R238 PolarHBondContact OG-N 3.21Å
32E93Very high87.1Confident194 Ų19480 Ų8091%0.90742%0.419SS*.THydrogen-bonded Turntrans-63.2-26.6-179-64.2-177.4179.600113V34E32-V34 PolarHBondContact O-N 3.04Å
33E92.6Very high88.7Confident96 Ų9675.5 Ų75.545%0.44940%0.395SS..THydrogen-bonded Turntrans-75.3-1.4-180-48.899.9113.300113.9S31 D35 Q71 R76 I237S31-E33 WeakPolarHBondContact CB-OE2 3.4Å; S31-E33 PolarHBondContact O-N 3.26Å; E33-D35 PolarHBondContact O-N 2.61Å; E33-Q71 PolarHBondContact O-NE2 3.2Å; E33-R76 IonicContact OE1-NH1 3.5Å; E33-I237 HydrophobicContact CB-CD1 4.13Å
34V94Very high90Very high25 Ų2576.8 Ų76.815%0.15242%0.417CS..  trans-78.9104.6178.1179.20000109.3T30 S31 E32 R67 I237 I239T30-V34 HydrophobicContact CG2-CB 4.08Å; T30-V34 HydrophobicContact CG2-CG1 4.33Å; T30-V34 HydrophobicContact CG2-CG2 4.04Å; S31-V34 WeakPolarHBondContact O-CB 3.43Å; S31-V34 VanDerWaalsContact O-CG2 3.27Å; S31-V34 WeakPolarHBondContact O-CG2 3.43Å; S31-V34 PolarHBondContact O-N 3.39Å; E32-V34 PolarHBondContact O-N 3.04Å; V34-R67 HydrophobicContact CG1-CB 3.65Å; V34-R67 HydrophobicContact CG1-CG 3.82Å; V34-I237 HydrophobicContact CG2-CG2 3.57Å; V34-I239 HydrophobicContact CG1-CD1 4.21Å; V34-I239 HydrophobicContact CG1-CG1 4.02Å; V34-I239 HydrophobicContact CG2-CD1 4.33Å; V34-I239 HydrophobicContact CG2-CG1 3.73Å
35D93.8Very high91.5Very high62 Ų6274 Ų7433%0.33240%0.398SS..  trans-97.7169.2171.158.7-4.5000112.3E33 K70 Q71E33-D35 PolarHBondContact O-N 2.61Å; D35-K70 WeakPolarHBondContact OD1-CD 3.35Å; D35-K70 IonicContact OD1-NZ 2.62Å; D35-K70 IonicContact OD2-NZ 3.78Å; D35-K70 PolarHBondContact OD2-NZ 3.16Å; D35-Q71 PolarHBondContact OD1-NE2 2.96Å
36V95.8Very high92.7Very high73 Ų7369.1 Ų69.144%0.44238%0.375SS..  trans-111.8116.6-177.5179.30000109.1Q66 R67V36-Q66 HydrophobicContact CG1-CB 4Å; V36-R67 HydrophobicContact CG2-CG 4.09Å
37T95.4Very high93.7Very high13 Ų1373.5 Ų73.58%0.0839%0.392CS..  trans-101.8111.7169.6-59.60000109.4T39 T42 M43 Q66T37-T39 PolarHBondContact O-N 3.16Å; T37-T42 WeakPolarHBondContact CG2-O 3.31Å; T37-T42 WeakPolarHBondContact CG2-OG1 3.47Å; T37-M43 HydrophobicContact CG2-CB 4.42Å; T37-M43 HydrophobicContact CG2-CG 3.58Å; T37-Q66 PolarHBondContact N-O 2.62Å; T37-Q66 WeakPolarHBondContact O-CA 3.42Å; T37-Q66 WeakPolarHBondContact O-CB 3.44Å; T37-Q66 WeakPolarHBondContact O-CG 3.44Å
38P94.7Very high94.5Very high80 Ų8068.6 Ų68.652%0.51937%0.371SS..  trans-77.6-21.4-162.329.5-36.6000115.4P61P38-P61 WeakPolarHBondContact O-CD 3.29Å; P38-P61 WeakPolarHBondContact O-CG 3.46Å
39T96.8Very high95.3Very high52 Ų5266.8 Ų66.832%0.31936%0.363SS..SBendtrans-133.5153.3-176.564.20000111.1T37 D41 T42T37-T39 PolarHBondContact O-N 3.16Å; T39-D41 VanDerWaalsContact C-N 3.27Å; T39-D41 PolarHBondContact O-N 3.15Å; T39-T42 PolarHBondContact O-N 3.18Å; T39-T42 PolarHBondContact O-OG1 3.46Å; T39-T42 WeakPolarHBondContact OG1-CG2 3.37Å; T39-T42 PolarHBondContact OG1-OG1 3.49Å
40F97.1Very high95.8Very high1 Ų161.6 Ų61.60%0.00434%0.339CS..G310 helixtrans-62.4-35.8177-67.9-65.7000112.2T42 M43 L50 I53 Y54 F58 P61 I69 I94F40-T42 PolarHBondContact O-N 3.36Å; F40-M43 HydrophobicContact CD1-CE 4.27Å; F40-M43 HydrophobicContact CD1-SD 3.88Å; F40-M43 WeakPolarHBondContact O-CB 3.42Å; F40-M43 PolarHBondContact O-N 3.48Å; F40-M43 VanDerWaalsContact O-N 3.13Å; F40-L50 HydrophobicContact CB-CD1 3.68Å; F40-I53 HydrophobicContact CB-CG2 4.49Å; F40-I53 HydrophobicContact CD1-CD1 4.15Å; F40-I53 HydrophobicContact CD1-CG2 4.1Å; F40-I53 HydrophobicContact CD2-CG2 3.68Å; F40-I53 HydrophobicContact CE1-CG2 4.18Å; F40-I53 HydrophobicContact CE2-CG2 3.78Å; F40-I53 HydrophobicContact CG-CG2 3.85Å; F40-I53 HydrophobicContact CZ-CG2 4.03Å; F40-Y54 HydrophobicContact CD2-CE1 4.46Å; F40-F58 HydrophobicContact CE2-CB 3.86Å; F40-F58 HydrophobicContact CZ-CB 4.23Å; F40-P61 HydrophobicContact CD1-CB 4.21Å; F40-P61 HydrophobicContact CE1-CB 3.74Å; F40-P61 HydrophobicContact CE2-CB 4.14Å; F40-P61 HydrophobicContact CZ-CB 3.7Å; F40-I69 HydrophobicContact CE1-CD1 4.35Å; F40-I94 HydrophobicContact CE1-CD1 3.94Å
41D96.5Very high96.1Very high98 Ų9864.4 Ų64.452%0.52434%0.344SS..G310 helixtrans-61.1-29.1179-54.5-42.4000113.1T39 Y54T39-D41 VanDerWaalsContact C-N 3.27Å; T39-D41 PolarHBondContact O-N 3.15Å; D41-Y54 WeakPolarHBondContact OD1-CE2 3.48Å; D41-Y54 PolarHBondContact OD1-OH 3.08Å; D41-Y54 PolarHBondContact OD2-OH 2.95Å; D41-Y54 VanDerWaalsContact OD2-OH 3.04Å
42T96.2Very high96.3Very high84 Ų8463.5 Ų63.552%0.51534%0.337SS..G310 helixtrans-91.62-17854.20000113.3T37 T39 F40T37-T42 WeakPolarHBondContact CG2-O 3.31Å; T37-T42 WeakPolarHBondContact CG2-OG1 3.47Å; T39-T42 PolarHBondContact O-N 3.18Å; T39-T42 PolarHBondContact O-OG1 3.46Å; T39-T42 WeakPolarHBondContact OG1-CG2 3.37Å; T39-T42 PolarHBondContact OG1-OG1 3.49Å; F40-T42 PolarHBondContact O-N 3.36Å
43M96.9Very high96.5Very high24 Ų2454.2 Ų54.212%0.11829%0.294CS..G310 helixtrans-83.6-6.5179-68.9-178.9-179.300114T37 F40 L45 P61 I69T37-M43 HydrophobicContact CG2-CB 4.42Å; T37-M43 HydrophobicContact CG2-CG 3.58Å; F40-M43 HydrophobicContact CD1-CE 4.27Å; F40-M43 HydrophobicContact CD1-SD 3.88Å; F40-M43 WeakPolarHBondContact O-CB 3.42Å; F40-M43 PolarHBondContact O-N 3.48Å; F40-M43 VanDerWaalsContact O-N 3.13Å; M43-L45 VanDerWaalsContact C-N 3.34Å; M43-L45 HydrophobicContact CB-CD1 4.24Å; M43-L45 HydrophobicContact CB-CD2 4.26Å; M43-L45 HydrophobicContact CB-CG 3.84Å; M43-P61 HydrophobicContact CE-CB 3.77Å; M43-P61 HydrophobicContact CE-CG 3.92Å; M43-I69 HydrophobicContact CE-CD1 4.28Å; M43-I69 HydrophobicContact SD-CB 4.21Å; M43-I69 HydrophobicContact SD-CD1 3.9Å; M43-I69 HydrophobicContact SD-CG2 3.93Å
44G96.2Very high96.8Very high61 Ų6153.8 Ų53.863%0.62929%0.289SS*.THydrogen-bonded Turntrans67.533.3-17900000113.4Q98G44-Q98 PolarHBondContact O-NE2 2.78Å
45L97.7Very high96.9Very high21 Ų2155.6 Ų55.611%0.1131%0.307CS..  trans-75.7154.9178.6-57.4177.3000111.1M43 L49 I53 I69 I73 I94 Q98M43-L45 VanDerWaalsContact C-N 3.34Å; M43-L45 HydrophobicContact CB-CD1 4.24Å; M43-L45 HydrophobicContact CB-CD2 4.26Å; M43-L45 HydrophobicContact CB-CG 3.84Å; L45-L49 HydrophobicContact CD2-CD2 4.36Å; L45-I53 HydrophobicContact CD1-CD1 3.48Å; L45-I53 VanDerWaalsContact CD1-CD1 3.48Å; L45-I69 HydrophobicContact CD2-CG2 4.41Å; L45-I73 HydrophobicContact CD2-CD1 3.61Å; L45-I94 HydrophobicContact CD1-CG2 3.86Å; L45-I94 HydrophobicContact CD2-CG2 4.15Å; L45-Q98 HydrophobicContact CD2-CB 4.21Å; L45-Q98 HydrophobicContact CD2-CG 4.04Å
46R97.6Very high97Very high82 Ų8257.9 Ų57.931%0.30931%0.311SS..  trans-60.5142.1170.5-68.6-170.3-69.4-168.8-11.5110.2D48 L49 L50 L97 Q98 L100R46-D48 VanDerWaalsContact C-N 3.33Å; R46-D48 PolarHBondContact O-N 3.23Å; R46-L49 HydrophobicContact CB-CB 4.43Å; R46-L49 WeakPolarHBondContact O-CB 3.42Å; R46-L49 PolarHBondContact O-N 2.92Å; R46-L50 PolarHBondContact O-N 2.77Å; R46-L97 PolarHBondContact NH2-O 2.82Å; R46-Q98 PolarHBondContact NH2-O 3.4Å; R46-L100 VanDerWaalsContact CZ-O 3.23Å; R46-L100 PolarHBondContact NH1-O 3.23Å; R46-L100 PolarHBondContact NH2-O 2.82Å
47E97.8Very high96.9Very high151 Ų15157 Ų5771%0.70632%0.316SS*.Hα-helixtrans-56.6-44.2-174.9-171.2175.9177.400112.7L49 L50 R51E47-L49 VanDerWaalsContact C-N 3.31Å; E47-L49 PolarHBondContact O-N 2.82Å; E47-L50 PolarHBondContact O-N 2.72Å; E47-R51 VanDerWaalsContact O-CG 3.28Å; E47-R51 WeakPolarHBondContact O-CG 3.29Å; E47-R51 PolarHBondContact O-N 3.37Å
48D98.1Very high96.8Very high67 Ų6757.8 Ų57.836%0.35832%0.319SS..Hα-helixtrans-63.7-34.8178.1-66.7-37.8000113.2R46 R51 G52 M133R46-D48 VanDerWaalsContact C-N 3.33Å; R46-D48 PolarHBondContact O-N 3.23Å; D48-R51 IonicContact OD1-NH1 3.61Å; D48-R51 PolarHBondContact OD1-NH1 3.09Å; D48-G52 PolarHBondContact O-N 3.39Å; D48-M133 HydrophobicContact CB-CG 3.76Å
49L98.4Very high96.7Very high0 Ų061.9 Ų61.90%033%0.331CS..Hα-helixtrans-70-43.9174.7177.756.4000111L45 R46 E47 R51 G52 I53 I94 L97 Q98 M133L45-L49 HydrophobicContact CD2-CD2 4.36Å; R46-L49 HydrophobicContact CB-CB 4.43Å; R46-L49 WeakPolarHBondContact O-CB 3.42Å; R46-L49 PolarHBondContact O-N 2.92Å; E47-L49 VanDerWaalsContact C-N 3.31Å; E47-L49 PolarHBondContact O-N 2.82Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.05Å; L49-G52 WeakPolarHBondContact O-CA 3.25Å; L49-G52 PolarHBondContact O-N 3.49Å; L49-G52 VanDerWaalsContact O-N 3.08Å; L49-I53 HydrophobicContact CG-CD1 4.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 2.85Å; L49-I94 HydrophobicContact CD2-CG2 4.13Å; L49-I94 WeakPolarHBondContact CD2-O 3.45Å; L49-L97 HydrophobicContact CD1-CB 3.72Å; L49-L97 HydrophobicContact CD1-CD1 3.65Å; L49-L97 HydrophobicContact CD1-CG 4.32Å; L49-L97 HydrophobicContact CD2-CB 4.01Å; L49-L97 HydrophobicContact CG-CB 4.5Å; L49-Q98 HydrophobicContact CD2-CB 3.78Å; L49-M133 HydrophobicContact CB-SD 3.72Å; L49-M133 HydrophobicContact CD1-SD 4.02Å; L49-M133 HydrophobicContact CG-SD 4.37Å
50L98Very high96.5Very high32 Ų3267.6 Ų67.617%0.16835%0.352CS..Hα-helixtrans-61.1-41.9177.6-174.362000111.2F40 R46 E47 G52 I53 Y54F40-L50 HydrophobicContact CB-CD1 3.68Å; R46-L50 PolarHBondContact O-N 2.77Å; E47-L50 PolarHBondContact O-N 2.72Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 3.25Å; L50-I53 PolarHBondContact O-N 2.99Å; L50-Y54 HydrophobicContact CD1-CD2 4.21Å; L50-Y54 HydrophobicContact CD1-CE2 3.5Å; L50-Y54 HydrophobicContact CD2-CE2 4.35Å; L50-Y54 HydrophobicContact CG-CD2 4.12Å; L50-Y54 HydrophobicContact CG-CE2 3.65Å; L50-Y54 WeakPolarHBondContact O-CD2 3.44Å; L50-Y54 PolarHBondContact O-N 3Å
51R97.8Very high96.4Very high117 Ų11767.8 Ų67.844%0.44235%0.353SS..Hα-helixtrans-58.5-42.7171.1-71.3169.263-152.71.6111.8E47 D48 L49 Y54 A55 Y132E47-R51 VanDerWaalsContact O-CG 3.28Å; E47-R51 WeakPolarHBondContact O-CG 3.29Å; E47-R51 PolarHBondContact O-N 3.37Å; D48-R51 IonicContact OD1-NH1 3.61Å; D48-R51 PolarHBondContact OD1-NH1 3.09Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.05Å; R51-Y54 PolarHBondContact O-N 2.84Å; R51-A55 VanDerWaalsContact O-CB 3.27Å; R51-A55 WeakPolarHBondContact O-CB 3.23Å; R51-A55 PolarHBondContact O-N 3.46Å; R51-Y132 HydrophobicContact CB-CD2 3.71Å; R51-Y132 HydrophobicContact CB-CE2 4Å; R51-Y132 HydrophobicContact CB-CG 4.39Å
52G98.1Very high96.2Very high0 Ų064.5 Ų64.50%034%0.338CS..Hα-helixtrans-63.8-39.8177.500000113.2D48 L49 L50 A55 Y56 L129D48-G52 PolarHBondContact O-N 3.39Å; L49-G52 WeakPolarHBondContact O-CA 3.25Å; L49-G52 PolarHBondContact O-N 3.49Å; L49-G52 VanDerWaalsContact O-N 3.08Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 3.25Å; G52-A55 PolarHBondContact O-N 2.92Å; G52-Y56 VanDerWaalsContact O-CB 3.32Å; G52-Y56 WeakPolarHBondContact O-CB 3.39Å; G52-Y56 PolarHBondContact O-N 3.27Å; G52-L129 WeakPolarHBondContact CA-O 3.42Å
53I97.7Very high96Very high0 Ų063.3 Ų63.30%034%0.336CS..Hα-helixtrans-59.2-49.9175.5-70.6167.1000111F40 L45 L49 L50 Y56 G57 F58 I94 L129F40-I53 HydrophobicContact CB-CG2 4.49Å; F40-I53 HydrophobicContact CD1-CD1 4.15Å; F40-I53 HydrophobicContact CD1-CG2 4.1Å; F40-I53 HydrophobicContact CD2-CG2 3.68Å; F40-I53 HydrophobicContact CE1-CG2 4.18Å; F40-I53 HydrophobicContact CE2-CG2 3.78Å; F40-I53 HydrophobicContact CG-CG2 3.85Å; F40-I53 HydrophobicContact CZ-CG2 4.03Å; L45-I53 HydrophobicContact CD1-CD1 3.48Å; L45-I53 VanDerWaalsContact CD1-CD1 3.48Å; L49-I53 HydrophobicContact CG-CD1 4.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 2.85Å; L50-I53 PolarHBondContact O-N 2.99Å; I53-Y56 PolarHBondContact O-N 2.97Å; I53-G57 PolarHBondContact O-N 2.88Å; I53-F58 HydrophobicContact CG2-CB 3.86Å; I53-F58 HydrophobicContact CG2-CD2 4.24Å; I53-F58 PolarHBondContact O-N 3.19Å; I53-I94 HydrophobicContact CD1-CD1 3.8Å; I53-I94 HydrophobicContact CD1-CG1 3.93Å; I53-I94 HydrophobicContact CD1-CG2 3.92Å; I53-I94 HydrophobicContact CG1-CD1 3.96Å; I53-I94 HydrophobicContact CG1-CG1 4.04Å; I53-L129 HydrophobicContact CG1-CD2 4.21Å
54Y97.4Very high95.9Very high86 Ų8662.5 Ų62.534%0.33733%0.332SS..Hα-helixtrans-69.7-39.6179.7-67.7-54.9000112.5F40 D41 L50 R51 Y56 G57 F58F40-Y54 HydrophobicContact CD2-CE1 4.46Å; D41-Y54 WeakPolarHBondContact OD1-CE2 3.48Å; D41-Y54 PolarHBondContact OD1-OH 3.08Å; D41-Y54 PolarHBondContact OD2-OH 2.95Å; D41-Y54 VanDerWaalsContact OD2-OH 3.04Å; L50-Y54 HydrophobicContact CD1-CD2 4.21Å; L50-Y54 HydrophobicContact CD1-CE2 3.5Å; L50-Y54 HydrophobicContact CD2-CE2 4.35Å; L50-Y54 HydrophobicContact CG-CD2 4.12Å; L50-Y54 HydrophobicContact CG-CE2 3.65Å; L50-Y54 WeakPolarHBondContact O-CD2 3.44Å; L50-Y54 PolarHBondContact O-N 3Å; R51-Y54 PolarHBondContact O-N 2.84Å; Y54-Y56 PolarHBondContact O-N 3.21Å; Y54-G57 WeakPolarHBondContact O-CA 3.34Å; Y54-G57 PolarHBondContact O-N 3.23Å; Y54-F58 WeakPolarHBondContact CD1-O 3.41Å
55A97Very high95.9Very high64 Ų6459.8 Ų59.853%0.52930%0.303SS..Hα-helixtrans-64.8-29.7176.100000112.8R51 G52 G57 Y132R51-A55 VanDerWaalsContact O-CB 3.27Å; R51-A55 WeakPolarHBondContact O-CB 3.23Å; R51-A55 PolarHBondContact O-N 3.46Å; G52-A55 PolarHBondContact O-N 2.92Å; A55-G57 PolarHBondContact O-N 3.46Å; A55-Y132 HydrophobicContact CB-CE2 3.7Å
56Y94.8Very high95.8Very high110 Ų11061 Ų6143%0.43131%0.308SS..THydrogen-bonded Turntrans-69.4-17.6172.1-165.2-105.2000112.9G52 I53 Y54 F58 A128 L129G52-Y56 VanDerWaalsContact O-CB 3.32Å; G52-Y56 WeakPolarHBondContact O-CB 3.39Å; G52-Y56 PolarHBondContact O-N 3.27Å; I53-Y56 PolarHBondContact O-N 2.97Å; Y54-Y56 PolarHBondContact O-N 3.21Å; Y56-F58 HydrophobicContact CD1-CD1 4.19Å; Y56-F58 HydrophobicContact CD1-CD2 4.12Å; Y56-F58 AromaticContact CD1-CE1 3.81Å; Y56-F58 HydrophobicContact CD1-CE1 3.81Å; Y56-F58 AromaticContact CD1-CE2 3.72Å; Y56-F58 HydrophobicContact CD1-CE2 3.72Å; Y56-F58 HydrophobicContact CD1-CG 4.34Å; Y56-F58 AromaticContact CD1-CZ 3.56Å; Y56-F58 HydrophobicContact CD1-CZ 3.56Å; Y56-F58 AromaticContact CE1-CE1 3.9Å; Y56-F58 HydrophobicContact CE1-CE1 3.9Å; Y56-F58 HydrophobicContact CE1-CE2 4.1Å; Y56-F58 AromaticContact CE1-CZ 3.55Å; Y56-F58 HydrophobicContact CE1-CZ 3.55Å; Y56-A128 HydrophobicContact CD2-CB 3.6Å; Y56-A128 HydrophobicContact CE2-CB 3.6Å; Y56-L129 HydrophobicContact CD1-CD2 4.13Å; Y56-L129 HydrophobicContact CG-CD2 3.96Å
57G94.3Very high95.7Very high53 Ų5361.1 Ų61.155%0.54631%0.309SS..THydrogen-bonded Turntrans99.613.3178.500000114.7I53 Y54 A55I53-G57 PolarHBondContact O-N 2.88Å; Y54-G57 WeakPolarHBondContact O-CA 3.34Å; Y54-G57 PolarHBondContact O-N 3.23Å; A55-G57 PolarHBondContact O-N 3.46Å
58F93.6Very high95.7Very high30 Ų3054 Ų5413%0.13228%0.275CS..  trans-81.6122.8172.3-66.5-26.2000110.8F40 I53 Y54 Y56 A90 L129F40-F58 HydrophobicContact CE2-CB 3.86Å; F40-F58 HydrophobicContact CZ-CB 4.23Å; I53-F58 HydrophobicContact CG2-CB 3.86Å; I53-F58 HydrophobicContact CG2-CD2 4.24Å; I53-F58 PolarHBondContact O-N 3.19Å; Y54-F58 WeakPolarHBondContact CD1-O 3.41Å; Y56-F58 HydrophobicContact CD1-CD1 4.19Å; Y56-F58 HydrophobicContact CD1-CD2 4.12Å; Y56-F58 AromaticContact CD1-CE1 3.81Å; Y56-F58 HydrophobicContact CD1-CE1 3.81Å; Y56-F58 AromaticContact CD1-CE2 3.72Å; Y56-F58 HydrophobicContact CD1-CE2 3.72Å; Y56-F58 HydrophobicContact CD1-CG 4.34Å; Y56-F58 AromaticContact CD1-CZ 3.56Å; Y56-F58 HydrophobicContact CD1-CZ 3.56Å; Y56-F58 AromaticContact CE1-CE1 3.9Å; Y56-F58 HydrophobicContact CE1-CE1 3.9Å; Y56-F58 HydrophobicContact CE1-CE2 4.1Å; Y56-F58 AromaticContact CE1-CZ 3.55Å; Y56-F58 HydrophobicContact CE1-CZ 3.55Å; F58-A90 HydrophobicContact CE2-CB 3.59Å; F58-A90 HydrophobicContact CZ-CB 3.86Å; F58-L129 HydrophobicContact CD2-CD2 4.21Å; F58-L129 HydrophobicContact CE2-CD2 4.02Å
59E92Very high95.7Very high166 Ų16650.8 Ų50.878%0.77626%0.258SS*.  trans-98.7-44.9179.6-62.3-179.7-17900112.5
60K93.7Very high95.6Very high173 Ų17354.2 Ų54.275%0.75227%0.273SS*.SBendtrans-132.1141.7-180-68.9-175.5-179.9178.40110.8
61P95Very high95.6Very high5 Ų552.8 Ų52.83%0.03227%0.266CS..  trans-68.6141.4177.328.4-35000111.2P38 F40 M43 Q65 Q66P38-P61 WeakPolarHBondContact O-CD 3.29Å; P38-P61 WeakPolarHBondContact O-CG 3.46Å; F40-P61 HydrophobicContact CD1-CB 4.21Å; F40-P61 HydrophobicContact CE1-CB 3.74Å; F40-P61 HydrophobicContact CE2-CB 4.14Å; F40-P61 HydrophobicContact CZ-CB 3.7Å; M43-P61 HydrophobicContact CE-CB 3.77Å; M43-P61 HydrophobicContact CE-CG 3.92Å; P61-Q65 VanDerWaalsContact CA-OE1 3.23Å; P61-Q65 HydrophobicContact CB-CB 3.78Å; P61-Q66 HydrophobicContact CB-CG 3.84Å; P61-Q66 HydrophobicContact CG-CG 3.6Å; P61-Q66 PolarHBondContact O-NE2 2.8Å
62S92.4Very high95.6Very high29 Ų2947.2 Ų47.220%0.20325%0.245CC..  trans-68.7165.6170.172.20000111.8I64 Q65 Q66 T86S62-I64 PolarHBondContact O-N 2.65Å; S62-I64 VanDerWaalsContact O-N 3.16Å; S62-I64 WeakPolarHBondContact OG-CG2 3.45Å; S62-Q65 WeakPolarHBondContact O-CB 3.38Å; S62-Q65 PolarHBondContact O-N 3.04Å; S62-Q65 WeakPolarHBondContact OG-CG 3.31Å; S62-Q66 VanDerWaalsContact O-CG 3.31Å; S62-Q66 WeakPolarHBondContact O-CG 3.44Å; S62-Q66 PolarHBondContact O-N 2.84Å; S62-T86 WeakPolarHBondContact CB-O 3.32Å; S62-T86 PolarHBondContact OG-O 3.19Å
63A92.2Very high95.6Very high59 Ų5949.6 Ų49.649%0.48826%0.257SS..Hα-helixtrans-54.3-37.8-178.200000113.6R67A63-R67 PolarHBondContact O-NH1 2.95Å
64I93.3Very high95.5Very high6 Ų654.9 Ų54.93%0.03128%0.28CS..Hα-helixtrans-71.9-39.5175.8-173.560.5000111.9S62 Q66 R67 A68 A80 I239S62-I64 PolarHBondContact O-N 2.65Å; S62-I64 VanDerWaalsContact O-N 3.16Å; S62-I64 WeakPolarHBondContact OG-CG2 3.45Å; I64-Q66 VanDerWaalsContact C-N 3.34Å; I64-Q66 PolarHBondContact O-N 3.47Å; I64-R67 PolarHBondContact O-N 2.87Å; I64-A68 HydrophobicContact CD1-CB 4Å; I64-A68 HydrophobicContact CG1-CB 4.31Å; I64-A68 VanDerWaalsContact O-CB 3.29Å; I64-A68 WeakPolarHBondContact O-CB 3.42Å; I64-A68 PolarHBondContact O-N 3.21Å; I64-A80 HydrophobicContact CD1-CB 3.93Å; I64-I239 HydrophobicContact CD1-CB 4.4Å; I64-I239 HydrophobicContact CD1-CG2 3.74Å
65Q96.2Very high95.5Very high5 Ų552.9 Ų52.92%0.02329%0.286CS..Hα-helixtrans-64.2-40.3177.8-69.9168.2-4.700111.5P61 S62 R67 I69 G87 T91P61-Q65 VanDerWaalsContact CA-OE1 3.23Å; P61-Q65 HydrophobicContact CB-CB 3.78Å; S62-Q65 WeakPolarHBondContact O-CB 3.38Å; S62-Q65 PolarHBondContact O-N 3.04Å; S62-Q65 WeakPolarHBondContact OG-CG 3.31Å; Q65-R67 PolarHBondContact O-N 2.97Å; Q65-I69 HydrophobicContact CB-CD1 3.75Å; Q65-I69 HydrophobicContact CB-CG1 4.4Å; Q65-I69 HydrophobicContact CG-CD1 4.14Å; Q65-I69 WeakPolarHBondContact O-CB 3.21Å; Q65-I69 WeakPolarHBondContact O-CG1 3.38Å; Q65-I69 PolarHBondContact O-N 3.21Å; Q65-G87 PolarHBondContact NE2-O 3.21Å; Q65-T91 WeakPolarHBondContact CG-OG1 3.41Å
66Q96Very high95.5Very high46 Ų4653.2 Ų53.222%0.21527%0.273CS..Hα-helixtrans-60.3-26.3177.5-67.9171.626.500113.5V36 T37 P61 S62 I64V36-Q66 HydrophobicContact CG1-CB 4Å; T37-Q66 PolarHBondContact N-O 2.62Å; T37-Q66 WeakPolarHBondContact O-CA 3.42Å; T37-Q66 WeakPolarHBondContact O-CB 3.44Å; T37-Q66 WeakPolarHBondContact O-CG 3.44Å; P61-Q66 HydrophobicContact CB-CG 3.84Å; P61-Q66 HydrophobicContact CG-CG 3.6Å; P61-Q66 PolarHBondContact O-NE2 2.8Å; S62-Q66 VanDerWaalsContact O-CG 3.31Å; S62-Q66 WeakPolarHBondContact O-CG 3.44Å; S62-Q66 PolarHBondContact O-N 2.84Å; I64-Q66 VanDerWaalsContact C-N 3.34Å; I64-Q66 PolarHBondContact O-N 3.47Å
67R95.8Very high95.6Very high85 Ų8548.7 Ų48.732%0.32126%0.257SS..Hα-helixtrans-104.1-47.7-174.4-71.3174.1179.675-2112.8V34 V36 A63 I64 Q65 Q71 I239V34-R67 HydrophobicContact CG1-CB 3.65Å; V34-R67 HydrophobicContact CG1-CG 3.82Å; V36-R67 HydrophobicContact CG2-CG 4.09Å; A63-R67 PolarHBondContact O-NH1 2.95Å; I64-R67 PolarHBondContact O-N 2.87Å; Q65-R67 PolarHBondContact O-N 2.97Å; R67-Q71 WeakPolarHBondContact O-CG 3.31Å; R67-I239 HydrophobicContact CB-CD1 4.06Å; R67-I239 HydrophobicContact CB-CG2 4.4Å
68A97.3Very high95.8Very high0 Ų046.2 Ų46.20%023%0.231CC..Hα-helixtrans-83.8-35.7-167.900000113.8I64 K70 Q71 I72 A80 T91 I239I64-A68 HydrophobicContact CD1-CB 4Å; I64-A68 HydrophobicContact CG1-CB 4.31Å; I64-A68 VanDerWaalsContact O-CB 3.29Å; I64-A68 WeakPolarHBondContact O-CB 3.42Å; I64-A68 PolarHBondContact O-N 3.21Å; A68-K70 VanDerWaalsContact C-N 3.3Å; A68-K70 PolarHBondContact O-N 3.29Å; A68-Q71 PolarHBondContact O-N 2.87Å; A68-Q71 VanDerWaalsContact O-N 3.09Å; A68-I72 WeakPolarHBondContact O-CG1 3.32Å; A68-I72 PolarHBondContact O-N 3.08Å; A68-A80 HydrophobicContact CB-CB 4.27Å; A68-T91 HydrophobicContact CB-CG2 3.51Å; A68-I239 HydrophobicContact CB-CD1 3.53Å
69I97.9Very high95.9Very high0 Ų044.8 Ų44.80%022%0.224CC..Hα-helixtrans-55.2-48.2-174.7-70.6176.5000110.7F40 M43 L45 Q65 Q71 I72 I73 T91 I94 S95F40-I69 HydrophobicContact CE1-CD1 4.35Å; M43-I69 HydrophobicContact CE-CD1 4.28Å; M43-I69 HydrophobicContact SD-CB 4.21Å; M43-I69 HydrophobicContact SD-CD1 3.9Å; M43-I69 HydrophobicContact SD-CG2 3.93Å; L45-I69 HydrophobicContact CD2-CG2 4.41Å; Q65-I69 HydrophobicContact CB-CD1 3.75Å; Q65-I69 HydrophobicContact CB-CG1 4.4Å; Q65-I69 HydrophobicContact CG-CD1 4.14Å; Q65-I69 WeakPolarHBondContact O-CB 3.21Å; Q65-I69 WeakPolarHBondContact O-CG1 3.38Å; Q65-I69 PolarHBondContact O-N 3.21Å; I69-Q71 VanDerWaalsContact C-N 3.34Å; I69-Q71 PolarHBondContact O-N 3.44Å; I69-I72 PolarHBondContact O-N 2.59Å; I69-I73 HydrophobicContact CG2-CD1 3.46Å; I69-I73 VanDerWaalsContact CG2-CD1 3.46Å; I69-I73 HydrophobicContact CG2-CG1 4.38Å; I69-I73 WeakPolarHBondContact O-CD1 3.28Å; I69-I73 VanDerWaalsContact O-CG1 3.23Å; I69-I73 WeakPolarHBondContact O-CG1 3.21Å; I69-I73 PolarHBondContact O-N 3.3Å; I69-T91 HydrophobicContact CG1-CG2 3.89Å; I69-I94 HydrophobicContact CD1-CB 4.3Å; I69-I94 HydrophobicContact CD1-CD1 4.07Å; I69-I94 HydrophobicContact CD1-CG2 4.12Å; I69-I94 HydrophobicContact CG2-CG2 4.22Å; I69-S95 WeakPolarHBondContact CA-OG 3.2Å
70K96.9Very high96.1Very high72 Ų7236.9 Ų36.931%0.31319%0.188SC..Hα-helixtrans-61.5-40.6-179.7-174.8173.1177.8-177.90112.7D35 A68 I73 K74D35-K70 WeakPolarHBondContact OD1-CD 3.35Å; D35-K70 IonicContact OD1-NZ 2.62Å; D35-K70 IonicContact OD2-NZ 3.78Å; D35-K70 PolarHBondContact OD2-NZ 3.16Å; A68-K70 VanDerWaalsContact C-N 3.3Å; A68-K70 PolarHBondContact O-N 3.29Å; K70-I73 PolarHBondContact O-N 3.04Å; K70-K74 VanDerWaalsContact O-CG 3.32Å; K70-K74 WeakPolarHBondContact O-CG 3.18Å; K70-K74 PolarHBondContact O-N 3.36Å
71Q97.5Very high96.1Very high2 Ų229.3 Ų29.31%0.00916%0.155CC..Hα-helixtrans-71.6-37.2-177.6-54.8-61.2-19.500111.5E33 D35 R67 A68 I69 K74 V78 I237E33-Q71 PolarHBondContact O-NE2 3.2Å; D35-Q71 PolarHBondContact OD1-NE2 2.96Å; R67-Q71 WeakPolarHBondContact O-CG 3.31Å; A68-Q71 PolarHBondContact O-N 2.87Å; A68-Q71 VanDerWaalsContact O-N 3.09Å; I69-Q71 VanDerWaalsContact C-N 3.34Å; I69-Q71 PolarHBondContact O-N 3.44Å; Q71-K74 PolarHBondContact O-N 3.3Å; Q71-V78 HydrophobicContact CB-CG2 4.05Å; Q71-I237 HydrophobicContact CB-CG2 4.1Å; Q71-I237 HydrophobicContact CG-CG2 4.01Å
72I98.1Very high95.8Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-65.8-44.6173.3-59.7165.9000110.2A68 I69 K74 G75 V78 T91 M183 Q213 V215A68-I72 WeakPolarHBondContact O-CG1 3.32Å; A68-I72 PolarHBondContact O-N 3.08Å; I69-I72 PolarHBondContact O-N 2.59Å; I72-K74 VanDerWaalsContact C-N 3.26Å; I72-K74 PolarHBondContact O-N 2.86Å; I72-G75 PolarHBondContact O-N 2.91Å; I72-V78 HydrophobicContact CG1-CB 4Å; I72-V78 HydrophobicContact CG1-CG1 4.19Å; I72-V78 HydrophobicContact CG1-CG2 3.74Å; I72-T91 HydrophobicContact CD1-CG2 4.32Å; I72-M183 HydrophobicContact CG2-CE 3.62Å; I72-M183 HydrophobicContact CG2-SD 4.08Å; I72-Q213 PolarHBondContact O-NE2 3.2Å; I72-V215 HydrophobicContact CD1-CG1 3.86Å; I72-V215 HydrophobicContact CG1-CG1 4.14Å; I72-V215 HydrophobicContact CG1-CG2 4.27Å; I72-V215 HydrophobicContact CG2-CG2 3.94Å
73I97.8Very high95.4Very high51 Ų5130.1 Ų30.126%0.26216%0.156SC..Hα-helixtrans-62.2-32.6178.7-68.6163.9000112.2L45 I69 K70 G75 Q98L45-I73 HydrophobicContact CD2-CD1 3.61Å; I69-I73 HydrophobicContact CG2-CD1 3.46Å; I69-I73 VanDerWaalsContact CG2-CD1 3.46Å; I69-I73 HydrophobicContact CG2-CG1 4.38Å; I69-I73 WeakPolarHBondContact O-CD1 3.28Å; I69-I73 VanDerWaalsContact O-CG1 3.23Å; I69-I73 WeakPolarHBondContact O-CG1 3.21Å; I69-I73 PolarHBondContact O-N 3.3Å; K70-I73 PolarHBondContact O-N 3.04Å; I73-G75 PolarHBondContact O-N 3.34Å; I73-G75 VanDerWaalsContact O-N 3.14Å; I73-Q98 HydrophobicContact CD1-CB 4.13Å; I73-Q98 HydrophobicContact CD1-CG 3.77Å; I73-Q98 HydrophobicContact CG1-CB 4.07Å; I73-Q98 HydrophobicContact CG1-CG 3.82Å; I73-Q98 HydrophobicContact CG2-CG 4.11Å
74K96.9Very high94.8Very high111 Ų11127.5 Ų27.548%0.48313%0.134SC..THydrogen-bonded Turntrans-65.7-8.3174.2-75.2172-177.8170.70113.7K70 Q71 I72 R76K70-K74 VanDerWaalsContact O-CG 3.32Å; K70-K74 WeakPolarHBondContact O-CG 3.18Å; K70-K74 PolarHBondContact O-N 3.36Å; Q71-K74 PolarHBondContact O-N 3.3Å; I72-K74 VanDerWaalsContact C-N 3.26Å; I72-K74 PolarHBondContact O-N 2.86Å; K74-R76 HydrophobicContact CB-CG 4.35Å
75G96.8Very high94Very high44 Ų4428 Ų2845%0.45414%0.14SC..THydrogen-bonded Turntrans81.113.5-179.900000114.4I72 I73I72-G75 PolarHBondContact O-N 2.91Å; I73-G75 PolarHBondContact O-N 3.34Å; I73-G75 VanDerWaalsContact O-N 3.14Å
76R96.6Very high93.2Very high70 Ų7029 Ų2926%0.26415%0.146SC..  trans-77.6147.9175.5-63.2-63.8-59.6-85.72.1110.3E33 K74 V78 Q213 D235 I237E33-R76 IonicContact OE1-NH1 3.5Å; K74-R76 HydrophobicContact CB-CG 4.35Å; R76-V78 WeakPolarHBondContact O-CG2 3.1Å; R76-V78 PolarHBondContact O-N 3.06Å; R76-Q213 WeakPolarHBondContact O-CG 3.37Å; R76-Q213 PolarHBondContact O-NE2 2.91Å; R76-D235 IonicContact CZ-OD2 2.99Å; R76-D235 PolarHBondContact NH2-O 3.02Å; R76-D235 IonicContact NH2-OD1 3.26Å; R76-D235 IonicContact NH2-OD2 3.77Å; R76-D235 PolarHBondContact NH2-OD2 2.85Å; R76-I237 HydrophobicContact CB-CG1 4.06Å; R76-I237 HydrophobicContact CG-CG1 4.26Å
77D97.8Very high92.8Very high16 Ų1627 Ų279%0.08614%0.138CC..  trans-62138162.8-76.8-2.1000109.1Q213 V214 M233 T234 P236 I237D77-Q213 WeakPolarHBondContact OD1-CA 3.03Å; D77-V214 VanDerWaalsContact CA-O 3.25Å; D77-V214 WeakPolarHBondContact CA-O 3.42Å; D77-V214 PolarHBondContact OD1-N 3.4Å; D77-M233 HydrophobicContact CB-CB 4.28Å; D77-M233 HydrophobicContact CB-CE 3.77Å; D77-M233 WeakPolarHBondContact OD2-CA 3.44Å; D77-M233 WeakPolarHBondContact OD2-CB 3.48Å; D77-T234 PolarHBondContact OD2-N 3.14Å; D77-P236 HydrophobicContact CB-CB 3.99Å; D77-P236 CarbonylContact O-C 3.57Å; D77-P236 VanDerWaalsContact O-CA 3.31Å; D77-P236 WeakPolarHBondContact O-CA 3.25Å; D77-I237 PolarHBondContact O-N 3.4Å
78V97.7Very high92.6Very high0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans-133.3132-174.5178.60000110.8Q71 I72 R76 A80 V214 V215 L216 M233 I237Q71-V78 HydrophobicContact CB-CG2 4.05Å; I72-V78 HydrophobicContact CG1-CB 4Å; I72-V78 HydrophobicContact CG1-CG1 4.19Å; I72-V78 HydrophobicContact CG1-CG2 3.74Å; R76-V78 WeakPolarHBondContact O-CG2 3.1Å; R76-V78 PolarHBondContact O-N 3.06Å; V78-A80 HydrophobicContact CG1-CB 4.07Å; V78-V214 PolarHBondContact N-O 3.08Å; V78-V215 HydrophobicContact CB-CG1 4.38Å; V78-V215 CarbonylContact O-C 3.41Å; V78-V215 WeakPolarHBondContact O-CA 3.39Å; V78-L216 PolarHBondContact O-N 2.97Å; V78-M233 WeakPolarHBondContact O-CE 3.48Å; V78-I237 CarbonylContact C-O 3.53Å; V78-I237 WeakPolarHBondContact CA-O 3.46Å; V78-I237 HydrophobicContact CG2-CB 4.38Å
79I96.7Very high92.4Very high0 Ų025.5 Ų25.50%014%0.137CC..EExtended strand (participates in β ladder)trans-111.1110.7166.8-59.8168000106.8L216 L221 L226 T229 M233 P236 I237 R238 I239 L240I79-L216 HydrophobicContact CG1-CB 4.4Å; I79-L221 HydrophobicContact CG2-CD1 3.39Å; I79-L226 HydrophobicContact CG2-CD2 3.98Å; I79-T229 HydrophobicContact CD1-CG2 3.71Å; I79-T229 WeakPolarHBondContact CD1-OG1 3.5Å; I79-T229 HydrophobicContact CG1-CG2 4.35Å; I79-M233 HydrophobicContact CD1-CE 4.44Å; I79-M233 HydrophobicContact CD1-SD 4Å; I79-M233 HydrophobicContact CG1-CE 3.68Å; I79-M233 HydrophobicContact CG1-SD 3.7Å; I79-P236 HydrophobicContact CD1-CB 4.03Å; I79-P236 HydrophobicContact CD1-CG 3.86Å; I79-P236 HydrophobicContact CG1-CB 4.16Å; I79-I237 PolarHBondContact N-O 3.13Å; I79-R238 HydrophobicContact CB-CG 4.49Å; I79-R238 HydrophobicContact CD1-CG 4.33Å; I79-R238 CarbonylContact O-C 3.16Å; I79-R238 WeakPolarHBondContact O-CA 3.5Å; I79-I239 PolarHBondContact O-N 3.16Å; I79-L240 HydrophobicContact CG2-CD2 4.3Å
80A95.6Very high92.3Very high1 Ų125.8 Ų25.81%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-119.9116.9-176.800000111.4I64 A68 V78 L216 I217 S218I64-A80 HydrophobicContact CD1-CB 3.93Å; A68-A80 HydrophobicContact CB-CB 4.27Å; V78-A80 HydrophobicContact CG1-CB 4.07Å; A80-L216 PolarHBondContact N-O 3.41Å; A80-I217 HydrophobicContact CB-CD1 3.53Å; A80-I217 WeakPolarHBondContact O-CA 3.49Å; A80-S218 PolarHBondContact O-N 3.01Å
81Q93.4Very high92.3Very high13 Ų1322.3 Ų22.36%0.06113%0.125CC..EExtended strand (participates in β ladder)trans-101.4139.2171.8-161.1179.1600110S218 A219 L221 I239 L240 V241 L246Q81-S218 WeakPolarHBondContact CA-O 3.46Å; Q81-A219 WeakPolarHBondContact CG-O 3.47Å; Q81-A219 PolarHBondContact NE2-O 3.36Å; Q81-A219 VanDerWaalsContact NE2-O 3.08Å; Q81-L221 HydrophobicContact CB-CD1 3.92Å; Q81-L221 HydrophobicContact CG-CD1 4.3Å; Q81-L221 HydrophobicContact CG-CG 4.42Å; Q81-I239 PolarHBondContact N-O 3.37Å; Q81-L240 HydrophobicContact CB-CD2 4.33Å; Q81-V241 HydrophobicContact CG-CB 4.49Å; Q81-V241 WeakPolarHBondContact O-CG2 3.09Å; Q81-V241 VanDerWaalsContact OE1-N 3.15Å; Q81-V241 PolarHBondContact OE1-O 3.27Å; Q81-L246 HydrophobicContact CG-CD2 4.38Å
82S88.4Confident92.3Very high5 Ų522.3 Ų22.34%0.03512%0.124CC..  trans-160156.1171.4-171.20000110T86 K88 S218 A219S82-T86 WeakPolarHBondContact CB-OG1 3.35Å; S82-T86 PolarHBondContact OG-OG1 3.37Å; S82-K88 WeakPolarHBondContact O-CD 3.49Å; S82-K88 PolarHBondContact O-NZ 2.9Å; S82-S218 PolarHBondContact N-O 3.12Å; S82-A219 VanDerWaalsContact O-CA 3.26Å; S82-A219 WeakPolarHBondContact O-CA 3.38Å
83Q85.1Confident92.3Very high47 Ų4722.3 Ų22.322%0.2213%0.125CC..  trans-58.2159.4-179.4-5490.6-14.600112T86 K88 E245 L246 L248Q83-T86 HydrophobicContact CB-CG2 3.82Å; Q83-T86 PolarHBondContact O-OG1 2.98Å; Q83-K88 VanDerWaalsContact C-NZ 3.35Å; Q83-K88 PolarHBondContact O-NZ 3.14Å; Q83-E245 WeakPolarHBondContact CG-O 3.38Å; Q83-E245 PolarHBondContact NE2-O 3.33Å; Q83-L246 WeakPolarHBondContact CG-O 3.27Å; Q83-L248 HydrophobicContact CB-CD2 3.68Å; Q83-L248 HydrophobicContact CB-CG 4.33Å; Q83-L248 HydrophobicContact CG-CD2 4.21Å
84S78Confident92.3Very high4 Ų419.9 Ų19.93%0.02811%0.112CC..THydrogen-bonded Turntrans-57.3142.8173.9-70.50000111.2T86S84-T86 VanDerWaalsContact C-N 3.32Å; S84-T86 PolarHBondContact O-N 2.62Å
85G76.8Confident92.4Very high15 Ų1514.6 Ų14.616%0.1559%0.089CC..THydrogen-bonded Turntrans70.216.3175.700000116.8Y371G85-Y371 PolarHBondContact O-N 3.2Å; G85-Y371 VanDerWaalsContact O-N 3.13Å
86T81.1Confident92.5Very high26 Ų2612.6 Ų12.616%0.167%0.068CC..SBendtrans-10016.4-177.556.90000114.6S62 S82 Q83 S84S62-T86 WeakPolarHBondContact CB-O 3.32Å; S62-T86 PolarHBondContact OG-O 3.19Å; S82-T86 WeakPolarHBondContact CB-OG1 3.35Å; S82-T86 PolarHBondContact OG-OG1 3.37Å; Q83-T86 HydrophobicContact CB-CG2 3.82Å; Q83-T86 PolarHBondContact O-OG1 2.98Å; S84-T86 VanDerWaalsContact C-N 3.32Å; S84-T86 PolarHBondContact O-N 2.62Å
87G86.1Confident92.6Very high5 Ų59.2 Ų9.25%0.0526%0.055CC..SBendtrans83.224177.800000115.3Q65 T89 A90 T91Q65-G87 PolarHBondContact NE2-O 3.21Å; G87-T89 VanDerWaalsContact C-N 3.35Å; G87-T89 PolarHBondContact O-N 3.26Å; G87-A90 PolarHBondContact O-N 3.08Å; G87-T91 PolarHBondContact O-N 2.93Å; G87-T91 PolarHBondContact O-OG1 3.25Å
88K91.8Very high92.6Very high17 Ų1710 Ų107%0.0746%0.059CC..Hα-helixtrans-52-49.3171.4-72-164.7-67.4-93.70112.6S82 Q83 A90 T91 F92 I217 S218S82-K88 WeakPolarHBondContact O-CD 3.49Å; S82-K88 PolarHBondContact O-NZ 2.9Å; Q83-K88 VanDerWaalsContact C-NZ 3.35Å; Q83-K88 PolarHBondContact O-NZ 3.14Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3.26Å; K88-T91 WeakPolarHBondContact O-CB 3.49Å; K88-T91 PolarHBondContact O-N 3.34Å; K88-F92 VanDerWaalsContact O-CD1 3.28Å; K88-F92 WeakPolarHBondContact O-CD1 3.47Å; K88-F92 PolarHBondContact O-N 2.76Å; K88-I217 HydrophobicContact CB-CG2 3.72Å; K88-I217 HydrophobicContact CD-CG2 3.82Å; K88-I217 HydrophobicContact CG-CG2 4.16Å; K88-S218 WeakPolarHBondContact CD-O 3.31Å
89T93.1Very high92.6Very high36 Ų3611.7 Ų11.722%0.2217%0.07CC..Hα-helixtrans-59.1-44178.3-53.60000112.7G87 T91 F92 S93 I122G87-T89 VanDerWaalsContact C-N 3.35Å; G87-T89 PolarHBondContact O-N 3.26Å; T89-T91 VanDerWaalsContact C-N 3.31Å; T89-T91 PolarHBondContact O-N 3.39Å; T89-F92 VanDerWaalsContact CA-CE1 3.41Å; T89-F92 HydrophobicContact CG2-CE1 4.35Å; T89-F92 HydrophobicContact CG2-CE2 4.25Å; T89-F92 HydrophobicContact CG2-CZ 3.77Å; T89-S93 WeakPolarHBondContact O-CB 3.23Å; T89-S93 PolarHBondContact O-N 2.83Å; T89-S93 PolarHBondContact O-OG 3.14Å; T89-I122 HydrophobicContact CG2-CG1 3.88Å
90A95.5Very high92.7Very high6 Ų612 Ų125%0.057%0.071CC..Hα-helixtrans-63.6-35.8175.200000112.5F58 G87 K88 S93 I94F58-A90 HydrophobicContact CE2-CB 3.59Å; F58-A90 HydrophobicContact CZ-CB 3.86Å; G87-A90 PolarHBondContact O-N 3.08Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3.26Å; A90-S93 PolarHBondContact O-N 2.78Å; A90-I94 WeakPolarHBondContact O-CB 3.04Å; A90-I94 WeakPolarHBondContact O-CD1 3.41Å; A90-I94 VanDerWaalsContact O-CG1 3.22Å; A90-I94 WeakPolarHBondContact O-CG1 3.34Å; A90-I94 PolarHBondContact O-N 3.16Å
91T97.2Very high92.8Very high0 Ų015.3 Ų15.30%09%0.089CC..Hα-helixtrans-55.4-56.5178.9-56.80000111.7Q65 A68 I69 I72 G87 K88 T89 S95Q65-T91 WeakPolarHBondContact CG-OG1 3.41Å; A68-T91 HydrophobicContact CB-CG2 3.51Å; I69-T91 HydrophobicContact CG1-CG2 3.89Å; I72-T91 HydrophobicContact CD1-CG2 4.32Å; G87-T91 PolarHBondContact O-N 2.93Å; G87-T91 PolarHBondContact O-OG1 3.25Å; K88-T91 WeakPolarHBondContact O-CB 3.49Å; K88-T91 PolarHBondContact O-N 3.34Å; T89-T91 VanDerWaalsContact C-N 3.31Å; T89-T91 PolarHBondContact O-N 3.39Å; T91-S95 WeakPolarHBondContact O-CB 3.15Å; T91-S95 PolarHBondContact O-N 2.98Å; T91-S95 PolarHBondContact O-OG 3.08Å
92F97.6Very high93Very high1 Ų116.5 Ų16.50%0.00410%0.096CC..Hα-helixtrans-74.6-29.6178.765.5-107.7000112K88 T89 S95 V96 I111 I122 V185 D187 I217K88-F92 VanDerWaalsContact O-CD1 3.28Å; K88-F92 WeakPolarHBondContact O-CD1 3.47Å; K88-F92 PolarHBondContact O-N 2.76Å; T89-F92 VanDerWaalsContact CA-CE1 3.41Å; T89-F92 HydrophobicContact CG2-CE1 4.35Å; T89-F92 HydrophobicContact CG2-CE2 4.25Å; T89-F92 HydrophobicContact CG2-CZ 3.77Å; F92-S95 PolarHBondContact O-N 2.84Å; F92-V96 VanDerWaalsContact O-CB 3.3Å; F92-V96 WeakPolarHBondContact O-CB 3.38Å; F92-V96 WeakPolarHBondContact O-CG2 3.38Å; F92-V96 PolarHBondContact O-N 3.22Å; F92-I111 HydrophobicContact CD2-CD1 4.02Å; F92-I111 HydrophobicContact CE2-CD1 3.88Å; F92-I111 HydrophobicContact CE2-CG2 3.98Å; F92-I111 HydrophobicContact CZ-CG2 4.34Å; F92-I122 HydrophobicContact CE2-CG1 4.47Å; F92-I122 HydrophobicContact CE2-CG2 3.89Å; F92-I122 HydrophobicContact CZ-CD1 4.05Å; F92-I122 HydrophobicContact CZ-CG1 4.1Å; F92-I122 HydrophobicContact CZ-CG2 4.36Å; F92-V185 HydrophobicContact CB-CG1 3.96Å; F92-V185 HydrophobicContact CD1-CG1 4.11Å; F92-V185 HydrophobicContact CD2-CG1 3.98Å; F92-V185 HydrophobicContact CE1-CG1 4.48Å; F92-V185 HydrophobicContact CE2-CG1 4.47Å; F92-V185 HydrophobicContact CG-CG1 3.78Å; F92-D187 HydrophobicContact CE1-CB 4.03Å; F92-D187 HydrophobicContact CZ-CB 4.08Å; F92-I217 HydrophobicContact CB-CG1 4.47Å; F92-I217 HydrophobicContact CD1-CB 4.31Å; F92-I217 HydrophobicContact CD1-CG1 3.79Å; F92-I217 HydrophobicContact CD1-CG2 4.23Å; F92-I217 HydrophobicContact CE1-CG1 4.46Å; F92-I217 HydrophobicContact CE1-CG2 4.36Å
93S98.2Very high93.4Very high1 Ų124.4 Ų24.41%0.00713%0.132CC..Hα-helixtrans-65.1-46.3179.3-62.40000111.3T89 A90 S95 V96 L97T89-S93 WeakPolarHBondContact O-CB 3.23Å; T89-S93 PolarHBondContact O-N 2.83Å; T89-S93 PolarHBondContact O-OG 3.14Å; A90-S93 PolarHBondContact O-N 2.78Å; S93-S95 VanDerWaalsContact C-N 3.33Å; S93-S95 PolarHBondContact O-N 2.79Å; S93-V96 PolarHBondContact O-N 3.31Å; S93-L97 WeakPolarHBondContact O-CB 3.44Å; S93-L97 WeakPolarHBondContact O-CG 3.32Å; S93-L97 PolarHBondContact O-N 3.13Å
94I98.5Very high94Very high0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-60.1-45.2173.9-68.5166.4000110.1F40 L45 L49 I53 I69 A90 L97 Q98 L129F40-I94 HydrophobicContact CE1-CD1 3.94Å; L45-I94 HydrophobicContact CD1-CG2 3.86Å; L45-I94 HydrophobicContact CD2-CG2 4.15Å; L49-I94 HydrophobicContact CD2-CG2 4.13Å; L49-I94 WeakPolarHBondContact CD2-O 3.45Å; I53-I94 HydrophobicContact CD1-CD1 3.8Å; I53-I94 HydrophobicContact CD1-CG1 3.93Å; I53-I94 HydrophobicContact CD1-CG2 3.92Å; I53-I94 HydrophobicContact CG1-CD1 3.96Å; I53-I94 HydrophobicContact CG1-CG1 4.04Å; I69-I94 HydrophobicContact CD1-CB 4.3Å; I69-I94 HydrophobicContact CD1-CD1 4.07Å; I69-I94 HydrophobicContact CD1-CG2 4.12Å; I69-I94 HydrophobicContact CG2-CG2 4.22Å; A90-I94 WeakPolarHBondContact O-CB 3.04Å; A90-I94 WeakPolarHBondContact O-CD1 3.41Å; A90-I94 VanDerWaalsContact O-CG1 3.22Å; A90-I94 WeakPolarHBondContact O-CG1 3.34Å; A90-I94 PolarHBondContact O-N 3.16Å; I94-L97 PolarHBondContact O-N 3.16Å; I94-Q98 WeakPolarHBondContact O-CB 3.42Å; I94-Q98 PolarHBondContact O-N 2.69Å; I94-L129 HydrophobicContact CG1-CD1 4.21Å
95S98.5Very high94.9Very high0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-66.9-42.5-177.8-520000112.8I69 T91 F92 S93 Q98 C99I69-S95 WeakPolarHBondContact CA-OG 3.2Å; T91-S95 WeakPolarHBondContact O-CB 3.15Å; T91-S95 PolarHBondContact O-N 2.98Å; T91-S95 PolarHBondContact O-OG 3.08Å; F92-S95 PolarHBondContact O-N 2.84Å; S93-S95 VanDerWaalsContact C-N 3.33Å; S93-S95 PolarHBondContact O-N 2.79Å; S95-Q98 PolarHBondContact O-N 2.84Å; S95-C99 PolarHBondContact O-N 3.47Å; S95-C99 PolarHBondContact O-SG 2.98Å
96V98.6Very high95.9Very high1 Ų132.4 Ų32.41%0.00616%0.163CC..Hα-helixtrans-57-55.8172.2163.70000109F92 S93 Q98 C99 L100 A109 I111 L126 V159 M183 V185F92-V96 VanDerWaalsContact O-CB 3.3Å; F92-V96 WeakPolarHBondContact O-CB 3.38Å; F92-V96 WeakPolarHBondContact O-CG2 3.38Å; F92-V96 PolarHBondContact O-N 3.22Å; S93-V96 PolarHBondContact O-N 3.31Å; V96-Q98 VanDerWaalsContact C-N 3.29Å; V96-Q98 PolarHBondContact O-N 2.87Å; V96-C99 PolarHBondContact O-N 2.7Å; V96-L100 HydrophobicContact CG1-CD2 4.48Å; V96-L100 WeakPolarHBondContact O-CG 3.44Å; V96-L100 PolarHBondContact O-N 2.72Å; V96-A109 HydrophobicContact CB-CB 4.42Å; V96-A109 HydrophobicContact CG1-CB 3.49Å; V96-A109 VanDerWaalsContact CG1-CB 3.49Å; V96-A109 HydrophobicContact CG2-CB 4.11Å; V96-I111 HydrophobicContact CG2-CD1 4.29Å; V96-L126 HydrophobicContact CG1-CD2 4.29Å; V96-V159 HydrophobicContact CG1-CG1 4.23Å; V96-V159 HydrophobicContact CG1-CG2 3.7Å; V96-M183 HydrophobicContact CB-SD 4.4Å; V96-M183 HydrophobicContact CG2-SD 3.44Å; V96-M183 WeakPolarHBondContact CG2-SD 3.46Å; V96-V185 HydrophobicContact CG2-CG2 3.96Å
97L98.7Very high96.7Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-55.8-45.5-179.2-72.9169.6000110.7R46 L49 S93 I94 C99 L100 L126 L129 M133 V135R46-L97 PolarHBondContact NH2-O 2.82Å; L49-L97 HydrophobicContact CD1-CB 3.72Å; L49-L97 HydrophobicContact CD1-CD1 3.65Å; L49-L97 HydrophobicContact CD1-CG 4.32Å; L49-L97 HydrophobicContact CD2-CB 4.01Å; L49-L97 HydrophobicContact CG-CB 4.5Å; S93-L97 WeakPolarHBondContact O-CB 3.44Å; S93-L97 WeakPolarHBondContact O-CG 3.32Å; S93-L97 PolarHBondContact O-N 3.13Å; I94-L97 PolarHBondContact O-N 3.16Å; L97-C99 PolarHBondContact O-N 3.16Å; L97-L100 HydrophobicContact CD2-CD1 4.03Å; L97-L100 PolarHBondContact O-N 3.4Å; L97-L126 HydrophobicContact CD1-CD2 4.18Å; L97-L126 HydrophobicContact CD2-CD2 4.18Å; L97-L126 HydrophobicContact CG-CD2 3.83Å; L97-L129 HydrophobicContact CD1-CB 3.61Å; L97-M133 HydrophobicContact CB-CE 4.25Å; L97-M133 HydrophobicContact CB-SD 4.21Å; L97-M133 HydrophobicContact CD2-CE 4.44Å; L97-M133 HydrophobicContact CD2-SD 4.38Å; L97-M133 WeakPolarHBondContact O-CE 3.46Å; L97-V135 HydrophobicContact CD2-CB 4.15Å; L97-V135 HydrophobicContact CD2-CG1 3.95Å; L97-V135 HydrophobicContact CD2-CG2 3.93Å
98Q98.6Very high97.3Very high33 Ų3331.5 Ų31.515%0.15416%0.157CC..Hα-helixtrans-56.3-38.2178.917860.314.300112.5G44 L45 R46 L49 I73 I94 S95 V96G44-Q98 PolarHBondContact O-NE2 2.78Å; L45-Q98 HydrophobicContact CD2-CB 4.21Å; L45-Q98 HydrophobicContact CD2-CG 4.04Å; R46-Q98 PolarHBondContact NH2-O 3.4Å; L49-Q98 HydrophobicContact CD2-CB 3.78Å; I73-Q98 HydrophobicContact CD1-CB 4.13Å; I73-Q98 HydrophobicContact CD1-CG 3.77Å; I73-Q98 HydrophobicContact CG1-CB 4.07Å; I73-Q98 HydrophobicContact CG1-CG 3.82Å; I73-Q98 HydrophobicContact CG2-CG 4.11Å; I94-Q98 WeakPolarHBondContact O-CB 3.42Å; I94-Q98 PolarHBondContact O-N 2.69Å; S95-Q98 PolarHBondContact O-N 2.84Å; V96-Q98 VanDerWaalsContact C-N 3.29Å; V96-Q98 PolarHBondContact O-N 2.87Å
99C98.2Very high97.6Very high35 Ų3530.8 Ų30.824%0.23615%0.154CC..Hα-helixtrans-83.4-9.1-175.2-62.10000114.1S95 V96 L97 K182 M183S95-C99 PolarHBondContact O-N 3.47Å; S95-C99 PolarHBondContact O-SG 2.98Å; V96-C99 PolarHBondContact O-N 2.7Å; L97-C99 PolarHBondContact O-N 3.16Å; C99-K182 WeakPolarHBondContact O-CE 3.44Å; C99-K182 PolarHBondContact O-NZ 2.89Å; C99-M183 HydrophobicContact CB-CE 4.31Å
100L98.2Very high97.9Very high6 Ų629.1 Ų29.13%0.03114%0.143CC..  trans-72.1138.2-176.3-64.5177000113.5R46 V96 L97 I102 Q108 V135 H158 V159R46-L100 VanDerWaalsContact CZ-O 3.23Å; R46-L100 PolarHBondContact NH1-O 3.23Å; R46-L100 PolarHBondContact NH2-O 2.82Å; V96-L100 HydrophobicContact CG1-CD2 4.48Å; V96-L100 WeakPolarHBondContact O-CG 3.44Å; V96-L100 PolarHBondContact O-N 2.72Å; L97-L100 HydrophobicContact CD2-CD1 4.03Å; L97-L100 PolarHBondContact O-N 3.4Å; L100-I102 HydrophobicContact CB-CD1 4.01Å; L100-I102 HydrophobicContact CD1-CD1 4.25Å; L100-Q108 HydrophobicContact CD2-CB 3.7Å; L100-V135 HydrophobicContact CD1-CG2 3.54Å; L100-H158 HydrophobicContact CD1-CB 4Å; L100-H158 HydrophobicContact CD2-CB 4.31Å; L100-V159 HydrophobicContact CD1-CG2 3.64Å; L100-V159 HydrophobicContact CD2-CG2 4Å; L100-V159 HydrophobicContact CG-CG2 4.38Å
101D98Very high98.1Very high71 Ų7128.8 Ų28.838%0.3814%0.141SC..  trans-90106.8159.1-176.5-7.3000109.2Q103 V104 Q108D101-Q103 PolarHBondContact O-N 3.44Å; D101-Q103 WeakPolarHBondContact OD1-CB 3.49Å; D101-Q103 PolarHBondContact OD1-N 2.98Å; D101-V104 HydrophobicContact CB-CG2 4.48Å; D101-V104 PolarHBondContact O-N 3.07Å; D101-V104 WeakPolarHBondContact OD2-CG2 3.33Å; D101-Q108 PolarHBondContact O-NE2 3.11Å
102I97.4Very high98.1Very high38 Ų3828.8 Ų28.820%0.19514%0.141CC..THydrogen-bonded Turntrans-71.6-18.7-176.1-60.6-59.1000112.4L100 V104 M133 V135 H158L100-I102 HydrophobicContact CB-CD1 4.01Å; L100-I102 HydrophobicContact CD1-CD1 4.25Å; I102-V104 VanDerWaalsContact C-N 3.33Å; I102-M133 HydrophobicContact CD1-CB 4.43Å; I102-M133 HydrophobicContact CD1-CE 4.09Å; I102-M133 HydrophobicContact CG1-CE 4.28Å; I102-M133 WeakPolarHBondContact CG2-O 3.35Å; I102-V135 HydrophobicContact CD1-CB 4.34Å; I102-V135 HydrophobicContact CD1-CG2 4.35Å; I102-H158 PolarHBondContact O-NE2 2.79Å
103Q97.3Very high98Very high171 Ų17128.8 Ų28.880%0.79914%0.141SC*.THydrogen-bonded Turntrans-76.2-25.6178.3-58.2-58.2-37.500111.8D101 R105D101-Q103 PolarHBondContact O-N 3.44Å; D101-Q103 WeakPolarHBondContact OD1-CB 3.49Å; D101-Q103 PolarHBondContact OD1-N 2.98Å; Q103-R105 PolarHBondContact O-N 3.31Å
104V97.3Very high97.7Very high55 Ų5529.4 Ų29.433%0.33315%0.145SC..SBendtrans-94.4100.7179.3-179.30000109.7D101 I102 E106 Q108 H158D101-V104 HydrophobicContact CB-CG2 4.48Å; D101-V104 PolarHBondContact O-N 3.07Å; D101-V104 WeakPolarHBondContact OD2-CG2 3.33Å; I102-V104 VanDerWaalsContact C-N 3.33Å; V104-E106 HydrophobicContact CG1-CB 4.06Å; V104-E106 HydrophobicContact CG1-CG 4.11Å; V104-E106 PolarHBondContact O-N 3.5Å; V104-Q108 PolarHBondContact O-NE2 2.85Å; V104-Q108 VanDerWaalsContact O-NE2 3.11Å; V104-H158 PolarHBondContact O-CD2 3.4Å; V104-H158 VanDerWaalsContact O-CD2 3.31Å
105R95.4Very high97.3Very high117 Ų11730.2 Ų30.244%0.44215%0.15SC..  trans-78.351179.7-152.8-172.5-79.7-174.5-10.2113.5Q103 Y155 G156Q103-R105 PolarHBondContact O-N 3.31Å; R105-Y155 WeakPolarHBondContact CD-O 3.37Å; R105-Y155 PolarHBondContact NH1-OH 3.48Å; R105-G156 WeakPolarHBondContact CG-O 3.44Å; R105-G156 WeakPolarHBondContact O-CA 3.42Å
106E98Very high97Very high61 Ų6133.6 Ų33.629%0.28516%0.163SC..SBendtrans-121.1157.1171.7-63.6-175.4-161.500109.8V104 Q108 Q157 R179 A180V104-E106 HydrophobicContact CG1-CB 4.06Å; V104-E106 HydrophobicContact CG1-CG 4.11Å; V104-E106 PolarHBondContact O-N 3.5Å; E106-Q108 PolarHBondContact O-N 3.19Å; E106-Q157 CarbonylContact C-O 3.52Å; E106-Q157 VanDerWaalsContact C-O 3.26Å; E106-R179 IonicContact OE1-CZ 2.82Å; E106-R179 IonicContact OE1-NH2 3.98Å; E106-R179 PolarHBondContact OE1-NH2 3.18Å; E106-R179 IonicContact OE2-CZ 3.88Å; E106-R179 IonicContact OE2-NE 2.96Å; E106-R179 PolarHBondContact OE2-NE 2.83Å; E106-R179 IonicContact OE2-NH2 3.92Å; E106-R179 PolarHBondContact OE2-NH2 2.9Å; E106-A180 HydrophobicContact CB-CB 3.67Å
107T98.7Very high96.6Very high7 Ų734 Ų344%0.04317%0.165CC..  trans-69.6118.8177.6-54.40000110.7A109 Q157 V160 L176 A180 I181T107-A109 WeakPolarHBondContact CG2-O 3.47Å; T107-Q157 WeakPolarHBondContact CA-O 3.46Å; T107-Q157 WeakPolarHBondContact CB-O 3.14Å; T107-Q157 PolarHBondContact N-O 2.67Å; T107-Q157 PolarHBondContact OG1-O 3.32Å; T107-V160 HydrophobicContact CG2-CB 4.07Å; T107-V160 HydrophobicContact CG2-CG2 3.71Å; T107-L176 HydrophobicContact CG2-CD1 4.2Å; T107-A180 CarbonylContact O-C 3.51Å; T107-A180 WeakPolarHBondContact O-CB 3.26Å; T107-I181 HydrophobicContact CG2-CD1 4.2Å; T107-I181 HydrophobicContact CG2-CG1 4.08Å; T107-I181 WeakPolarHBondContact O-CG1 3.4Å; T107-I181 PolarHBondContact O-N 3.23Å; T107-I181 VanDerWaalsContact O-N 3.16Å
108Q98.8Very high96.2Very high6 Ų634 Ų343%0.02817%0.165CC..  trans-109.6-26-176.5-75.8173.365.600112.8L100 D101 V104 E106 H158 A180 I181 K182 M183L100-Q108 HydrophobicContact CD2-CB 3.7Å; D101-Q108 PolarHBondContact O-NE2 3.11Å; V104-Q108 PolarHBondContact O-NE2 2.85Å; V104-Q108 VanDerWaalsContact O-NE2 3.11Å; E106-Q108 PolarHBondContact O-N 3.19Å; Q108-H158 PolarHBondContact N-O 3.32Å; Q108-A180 WeakPolarHBondContact CA-O 3.49Å; Q108-A180 HydrophobicContact CG-CB 4.19Å; Q108-I181 WeakPolarHBondContact O-CA 3.39Å; Q108-K182 WeakPolarHBondContact O-CG 3.37Å; Q108-K182 PolarHBondContact O-N 2.75Å; Q108-M183 PolarHBondContact O-N 3.02Å
109A98.8Very high96.1Very high2 Ų232.5 Ų32.52%0.01716%0.157CC..EExtended strand (participates in β ladder)trans-130.9136.3173.500000110.9V96 T107 H158 V159 V160 M183V96-A109 HydrophobicContact CB-CB 4.42Å; V96-A109 HydrophobicContact CG1-CB 3.49Å; V96-A109 VanDerWaalsContact CG1-CB 3.49Å; V96-A109 HydrophobicContact CG2-CB 4.11Å; T107-A109 WeakPolarHBondContact CG2-O 3.47Å; A109-H158 PolarHBondContact N-O 3.31Å; A109-V159 HydrophobicContact CB-CG1 4.26Å; A109-V159 HydrophobicContact CB-CG2 4.37Å; A109-V159 WeakPolarHBondContact O-CA 3.5Å; A109-V160 PolarHBondContact O-N 2.68Å; A109-M183 WeakPolarHBondContact CA-O 3.44Å; A109-M183 HydrophobicContact CB-CB 4.28Å
110L98.7Very high95.9Very high0 Ų032.3 Ų32.30%016%0.155CC..EExtended strand (participates in β ladder)trans-116.3125.6174.2178.261.4000109L112 V160 V167 L176 I181 M183 L184 V185 V204 L208L110-L112 HydrophobicContact CD1-CD2 4.11Å; L110-L112 HydrophobicContact CD2-CD2 4.36Å; L110-L112 HydrophobicContact CG-CD2 4.1Å; L110-L112 HydrophobicContact CG-CG 4.46Å; L110-V160 CarbonylContact C-O 3.46Å; L110-V160 WeakPolarHBondContact CA-O 3.32Å; L110-V160 HydrophobicContact CD1-CB 4.05Å; L110-V160 HydrophobicContact CD1-CG1 3.96Å; L110-V167 HydrophobicContact CD1-CG1 3.84Å; L110-V167 HydrophobicContact CD1-CG2 4.29Å; L110-V167 HydrophobicContact CD2-CG1 3.98Å; L110-L176 HydrophobicContact CD1-CD2 4.46Å; L110-I181 HydrophobicContact CB-CD1 4.2Å; L110-I181 HydrophobicContact CB-CG2 4.35Å; L110-M183 PolarHBondContact N-O 3.49Å; L110-L184 HydrophobicContact CB-CD1 4.33Å; L110-L184 HydrophobicContact CD2-CD1 4.12Å; L110-L184 HydrophobicContact CG-CD1 4.12Å; L110-L184 CarbonylContact O-C 3.43Å; L110-L184 WeakPolarHBondContact O-CA 3.21Å; L110-V185 PolarHBondContact O-N 2.9Å; L110-V204 HydrophobicContact CD2-CG1 3.58Å; L110-L208 HydrophobicContact CD2-CD2 4.12Å
111I98.6Very high95.7Very high0 Ų033 Ų330%016%0.158CC..EExtended strand (participates in β ladder)trans-117.6121.3179.4-50.5178.4000108.2F92 V96 I122 L126 V159 V160 A161 G162 V185F92-I111 HydrophobicContact CD2-CD1 4.02Å; F92-I111 HydrophobicContact CE2-CD1 3.88Å; F92-I111 HydrophobicContact CE2-CG2 3.98Å; F92-I111 HydrophobicContact CZ-CG2 4.34Å; V96-I111 HydrophobicContact CG2-CD1 4.29Å; I111-I122 HydrophobicContact CD1-CG2 3.9Å; I111-I122 HydrophobicContact CG2-CD1 4.09Å; I111-I122 HydrophobicContact CG2-CG2 4.14Å; I111-L126 HydrophobicContact CD1-CD1 3.69Å; I111-V159 HydrophobicContact CD1-CG1 4.03Å; I111-V159 HydrophobicContact CG1-CG1 4.29Å; I111-V160 PolarHBondContact N-O 3.23Å; I111-A161 HydrophobicContact CB-CB 4.3Å; I111-A161 CarbonylContact O-C 3.55Å; I111-A161 VanDerWaalsContact O-CA 3.31Å; I111-A161 WeakPolarHBondContact O-CA 3.19Å; I111-G162 PolarHBondContact O-N 3.13Å; I111-V185 CarbonylContact C-O 3.57Å; I111-V185 WeakPolarHBondContact CA-O 3.42Å; I111-V185 HydrophobicContact CB-CB 4.33Å; I111-V185 HydrophobicContact CG1-CB 4.03Å; I111-V185 HydrophobicContact CG1-CG2 4.18Å; I111-V185 HydrophobicContact CG2-CB 4.06Å; I111-V185 HydrophobicContact CG2-CG1 4.26Å
112L97.8Very high95.6Very high0 Ų029.6 Ų29.60%014%0.14CC..EExtended strand (participates in β ladder)trans-104.7135.4177.2-56.6-176.6000110.2L110 G162 V167 L184 V185 L186 D187 M192 I201 V204L110-L112 HydrophobicContact CD1-CD2 4.11Å; L110-L112 HydrophobicContact CD2-CD2 4.36Å; L110-L112 HydrophobicContact CG-CD2 4.1Å; L110-L112 HydrophobicContact CG-CG 4.46Å; L112-G162 WeakPolarHBondContact CA-O 3.18Å; L112-V167 HydrophobicContact CD2-CB 4.13Å; L112-V167 HydrophobicContact CD2-CG1 4.04Å; L112-V167 HydrophobicContact CD2-CG2 3.87Å; L112-L184 HydrophobicContact CD1-CD1 4.09Å; L112-L184 HydrophobicContact CG-CD1 4.09Å; L112-V185 PolarHBondContact N-O 3.12Å; L112-L186 HydrophobicContact CB-CD2 3.91Å; L112-L186 HydrophobicContact CD1-CD2 3.85Å; L112-L186 HydrophobicContact CG-CD2 4.17Å; L112-D187 PolarHBondContact O-N 3.4Å; L112-M192 HydrophobicContact CB-CE 3.47Å; L112-M192 VanDerWaalsContact CB-CE 3.47Å; L112-I201 HydrophobicContact CD1-CG1 4.32Å; L112-V204 HydrophobicContact CD1-CB 4.49Å; L112-V204 HydrophobicContact CD1-CG1 4.24Å
113A95.1Very high95.6Very high0 Ų029.5 Ų29.50%014%0.139CC..  trans-132.3150.8176.500000110.6T115 L118 A119 I122 G162 M192A113-T115 VanDerWaalsContact C-N 3.31Å; A113-T115 PolarHBondContact O-N 2.84Å; A113-L118 HydrophobicContact CB-CB 4.19Å; A113-L118 HydrophobicContact CB-CD2 3.9Å; A113-L118 HydrophobicContact CB-CG 3.86Å; A113-A119 HydrophobicContact CB-CB 4.3Å; A113-I122 HydrophobicContact CB-CD1 3.97Å; A113-G162 PolarHBondContact N-O 2.87Å; A113-M192 VanDerWaalsContact C-SD 3.55Å
114P92Very high95.6Very high15 Ų1527.8 Ų27.810%0.09713%0.129CC..SBendtrans-69.1-26.9-177.225.2-36.8000113.6L118 D187 E188 E191 M192 F197P114-L118 HydrophobicContact CG-CD2 4.35Å; P114-D187 WeakPolarHBondContact CD-O 2.97Å; P114-E188 HydrophobicContact CG-CB 3.84Å; P114-E188 HydrophobicContact CG-CG 4.17Å; P114-E191 HydrophobicContact CB-CB 4.43Å; P114-E191 HydrophobicContact CB-CG 3.8Å; P114-E191 HydrophobicContact CG-CG 4.33Å; P114-M192 WeakPolarHBondContact CA-SD 3.33Å; P114-M192 HydrophobicContact CB-SD 3.82Å; P114-M192 HydrophobicContact CG-SD 4.37Å; P114-F197 HydrophobicContact CB-CE2 4.3Å; P114-F197 HydrophobicContact CB-CZ 4.46Å
115T90.7Very high95.5Very high17 Ų1725.7 Ų25.710%0.10412%0.118CC..SBendtrans-124.4153.7-175.472.70000112.3A113 L118 A119 V336A113-T115 VanDerWaalsContact C-N 3.31Å; A113-T115 PolarHBondContact O-N 2.84Å; T115-L118 PolarHBondContact O-N 3.37Å; T115-L118 VanDerWaalsContact OG1-CB 3.27Å; T115-L118 WeakPolarHBondContact OG1-CB 3.49Å; T115-L118 PolarHBondContact OG1-N 3.35Å; T115-A119 PolarHBondContact O-N 2.94Å; T115-A119 VanDerWaalsContact O-N 3.13Å; T115-V336 HydrophobicContact CG2-CG1 4.28Å
116R91.7Very high95.6Very high71 Ų7120.1 Ų20.127%0.26810%0.097SC..Hα-helixtrans-66.2-41.6-178.6-60175.6-176.6171.22.3110.9L118 A119 V120 I141 G142 T163R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 2.92Å; R116-A119 PolarHBondContact O-N 2.92Å; R116-V120 WeakPolarHBondContact O-CG2 3.2Å; R116-V120 PolarHBondContact O-N 3.23Å; R116-I141 HydrophobicContact CB-CB 4.08Å; R116-I141 HydrophobicContact CB-CD1 4Å; R116-I141 HydrophobicContact CB-CG2 4.18Å; R116-I141 HydrophobicContact CG-CB 4.06Å; R116-I141 HydrophobicContact CG-CG2 4.47Å; R116-G142 WeakPolarHBondContact CD-O 3.33Å; R116-G142 VanDerWaalsContact CZ-C 3.43Å; R116-G142 VanDerWaalsContact CZ-O 3.28Å; R116-G142 PolarHBondContact NE-O 3.47Å; R116-G142 VanDerWaalsContact NE-O 3.12Å; R116-G142 PolarHBondContact NH1-O 3.24Å; R116-T163 HydrophobicContact CG-CG2 3.95Å
117E90Very high95.7Very high10 Ų1020.3 Ų20.35%0.04710%0.1CC..Hα-helixtrans-67-36.8-178.7-64.471.5-155.200111.5Q121 R316 M320 L341E117-Q121 WeakPolarHBondContact O-CB 3.3Å; E117-Q121 PolarHBondContact O-N 3.35Å; E117-R316 IonicContact OE1-CZ 2.68Å; E117-R316 IonicContact OE1-NE 2.65Å; E117-R316 PolarHBondContact OE1-NE 3.35Å; E117-R316 IonicContact OE1-NH2 2.75Å; E117-R316 PolarHBondContact OE1-NH2 2.82Å; E117-R316 IonicContact OE2-CZ 2.99Å; E117-R316 IonicContact OE2-NH2 3.06Å; E117-R316 PolarHBondContact OE2-NH2 3.18Å; E117-M320 HydrophobicContact CB-SD 4.09Å; E117-M320 HydrophobicContact CG-CG 3.94Å; E117-M320 HydrophobicContact CG-SD 3.74Å; E117-L341 HydrophobicContact CB-CD1 4.36Å; E117-L341 HydrophobicContact CB-CD2 3.35Å; E117-L341 HydrophobicContact CB-CG 4.45Å; E117-L341 HydrophobicContact CG-CD2 4.49Å
118L91.8Very high95.6Very high0 Ų021.8 Ų21.80%011%0.113CC..Hα-helixtrans-67-45.3173.4-179.954.3000111.3A113 P114 T115 R116 V120 Q121 I122 E188A113-L118 HydrophobicContact CB-CB 4.19Å; A113-L118 HydrophobicContact CB-CD2 3.9Å; A113-L118 HydrophobicContact CB-CG 3.86Å; P114-L118 HydrophobicContact CG-CD2 4.35Å; T115-L118 PolarHBondContact O-N 3.37Å; T115-L118 VanDerWaalsContact OG1-CB 3.27Å; T115-L118 WeakPolarHBondContact OG1-CB 3.49Å; T115-L118 PolarHBondContact OG1-N 3.35Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 2.92Å; L118-V120 VanDerWaalsContact C-N 3.32Å; L118-V120 PolarHBondContact O-N 3.3Å; L118-Q121 WeakPolarHBondContact O-CB 3.39Å; L118-Q121 PolarHBondContact O-N 3.08Å; L118-Q121 VanDerWaalsContact O-N 3.1Å; L118-I122 HydrophobicContact CD1-CD1 4.15Å; L118-I122 HydrophobicContact CD1-CG1 4.15Å; L118-I122 HydrophobicContact CG-CD1 3.95Å; L118-I122 HydrophobicContact CG-CG1 4.44Å; L118-I122 VanDerWaalsContact O-CG1 3.3Å; L118-I122 WeakPolarHBondContact O-CG1 3.34Å; L118-I122 PolarHBondContact O-N 3.45Å; L118-E188 HydrophobicContact CD2-CG 3.75Å
119A95.2Very high95.6Very high0 Ų021.7 Ų21.70%011%0.112CC..Hα-helixtrans-58.1-42.7176.100000112.5A113 T115 R116 I122 Q123 I141A113-A119 HydrophobicContact CB-CB 4.3Å; T115-A119 PolarHBondContact O-N 2.94Å; T115-A119 VanDerWaalsContact O-N 3.13Å; R116-A119 PolarHBondContact O-N 2.92Å; A119-I122 PolarHBondContact O-N 3.18Å; A119-Q123 PolarHBondContact O-N 3.23Å; A119-I141 HydrophobicContact CB-CG2 3.62Å
120V94.5Very high95.5Very high31 Ų3121.6 Ų21.619%0.18811%0.112CC..Hα-helixtrans-65.9-38.3174.91720000111.6R116 L118 Q123 K124 A139 I141R116-V120 WeakPolarHBondContact O-CG2 3.2Å; R116-V120 PolarHBondContact O-N 3.23Å; L118-V120 VanDerWaalsContact C-N 3.32Å; L118-V120 PolarHBondContact O-N 3.3Å; V120-Q123 PolarHBondContact O-N 2.96Å; V120-K124 HydrophobicContact CG1-CD 4.37Å; V120-K124 WeakPolarHBondContact O-CG 3.21Å; V120-K124 PolarHBondContact O-N 3.44Å; V120-A139 HydrophobicContact CG2-CB 3.91Å; V120-I141 HydrophobicContact CG2-CD1 3.66Å
121Q93.2Very high95.5Very high21 Ų2126.9 Ų26.910%0.09814%0.14CC..Hα-helixtrans-64.1-44.2175.4-178.4179-66.700111.9E117 L118 Q123 K124 G125 G340E117-Q121 WeakPolarHBondContact O-CB 3.3Å; E117-Q121 PolarHBondContact O-N 3.35Å; L118-Q121 WeakPolarHBondContact O-CB 3.39Å; L118-Q121 PolarHBondContact O-N 3.08Å; L118-Q121 VanDerWaalsContact O-N 3.1Å; Q121-Q123 VanDerWaalsContact C-N 3.34Å; Q121-K124 PolarHBondContact O-N 3.46Å; Q121-G125 PolarHBondContact O-N 2.91Å; Q121-G340 PolarHBondContact NE2-O 2.98Å
122I96.7Very high95.4Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-58.7-47.7174.8-68.1164.9000110T89 F92 I111 A113 L118 A119 K124 G125 L126 A161 D187T89-I122 HydrophobicContact CG2-CG1 3.88Å; F92-I122 HydrophobicContact CE2-CG1 4.47Å; F92-I122 HydrophobicContact CE2-CG2 3.89Å; F92-I122 HydrophobicContact CZ-CD1 4.05Å; F92-I122 HydrophobicContact CZ-CG1 4.1Å; F92-I122 HydrophobicContact CZ-CG2 4.36Å; I111-I122 HydrophobicContact CD1-CG2 3.9Å; I111-I122 HydrophobicContact CG2-CD1 4.09Å; I111-I122 HydrophobicContact CG2-CG2 4.14Å; A113-I122 HydrophobicContact CB-CD1 3.97Å; L118-I122 HydrophobicContact CD1-CD1 4.15Å; L118-I122 HydrophobicContact CD1-CG1 4.15Å; L118-I122 HydrophobicContact CG-CD1 3.95Å; L118-I122 HydrophobicContact CG-CG1 4.44Å; L118-I122 VanDerWaalsContact O-CG1 3.3Å; L118-I122 WeakPolarHBondContact O-CG1 3.34Å; L118-I122 PolarHBondContact O-N 3.45Å; A119-I122 PolarHBondContact O-N 3.18Å; I122-K124 PolarHBondContact O-N 3.48Å; I122-G125 PolarHBondContact O-N 3.4Å; I122-L126 HydrophobicContact CG2-CD1 3.91Å; I122-L126 PolarHBondContact O-N 3.05Å; I122-A161 HydrophobicContact CB-CB 4.3Å; I122-A161 HydrophobicContact CG2-CB 3.92Å; I122-D187 HydrophobicContact CD1-CB 4.17Å
123Q98Very high95.4Very high36 Ų3632.1 Ų32.117%0.16816%0.161CC..Hα-helixtrans-55.9-49.1177-174.9-148.710.100111.6A119 V120 Q121 G125 L126 L127 C137 A139 A161A119-Q123 PolarHBondContact O-N 3.23Å; V120-Q123 PolarHBondContact O-N 2.96Å; Q121-Q123 VanDerWaalsContact C-N 3.34Å; Q123-G125 VanDerWaalsContact C-N 3.33Å; Q123-G125 PolarHBondContact O-N 2.94Å; Q123-L126 PolarHBondContact O-N 3.44Å; Q123-L127 HydrophobicContact CG-CD1 4.21Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 3.36Å; Q123-C137 HydrophobicContact CG-CB 4.25Å; Q123-C137 PolarHBondContact NE2-O 3.02Å; Q123-A139 HydrophobicContact CB-CB 4.08Å; Q123-A139 HydrophobicContact CG-CB 4.18Å; Q123-A139 VanDerWaalsContact OE1-CB 3.23Å; Q123-A161 HydrophobicContact CB-CB 4.48Å
124K96Very high95.5Very high135 Ų13537.4 Ų37.459%0.58719%0.19SC*.Hα-helixtrans-62.1-40.8178.4-73179179.8-1790112.1V120 Q121 I122 L127 A128V120-K124 HydrophobicContact CG1-CD 4.37Å; V120-K124 WeakPolarHBondContact O-CG 3.21Å; V120-K124 PolarHBondContact O-N 3.44Å; Q121-K124 PolarHBondContact O-N 3.46Å; I122-K124 PolarHBondContact O-N 3.48Å; K124-L127 PolarHBondContact O-N 3.15Å; K124-A128 WeakPolarHBondContact O-CB 3.21Å; K124-A128 PolarHBondContact O-N 3.31Å
125G95.9Very high95.7Very high11 Ų1137 Ų3711%0.11319%0.187CC..Hα-helixtrans-62.5-44.6175.900000112.5Q121 I122 Q123 A128 L129Q121-G125 PolarHBondContact O-N 2.91Å; I122-G125 PolarHBondContact O-N 3.4Å; Q123-G125 VanDerWaalsContact C-N 3.33Å; Q123-G125 PolarHBondContact O-N 2.94Å; G125-A128 PolarHBondContact O-N 3.01Å; G125-L129 WeakPolarHBondContact O-CB 3.37Å; G125-L129 WeakPolarHBondContact O-CG 3.38Å; G125-L129 PolarHBondContact O-N 2.91Å
126L98.4Very high96.1Very high0 Ų038.3 Ų38.30%019%0.192CC..Hα-helixtrans-61.4-44.7175.2-81.2164000112.6V96 L97 I111 I122 Q123 A128 G130 V159V96-L126 HydrophobicContact CG1-CD2 4.29Å; L97-L126 HydrophobicContact CD1-CD2 4.18Å; L97-L126 HydrophobicContact CD2-CD2 4.18Å; L97-L126 HydrophobicContact CG-CD2 3.83Å; I111-L126 HydrophobicContact CD1-CD1 3.69Å; I122-L126 HydrophobicContact CG2-CD1 3.91Å; I122-L126 PolarHBondContact O-N 3.05Å; Q123-L126 PolarHBondContact O-N 3.44Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-G130 WeakPolarHBondContact O-CA 3.22Å; L126-G130 PolarHBondContact O-N 3.19Å; L126-V159 HydrophobicContact CD1-CB 4.4Å; L126-V159 HydrophobicContact CD1-CG1 3.69Å
127L98.3Very high96.4Very high64 Ų6435.2 Ų35.234%0.33518%0.181SC..Hα-helixtrans-63.8-40.3177.9-70.5172.7000111.5Q123 K124 G130 D131 V135 C137Q123-L127 HydrophobicContact CG-CD1 4.21Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 3.36Å; K124-L127 PolarHBondContact O-N 3.15Å; L127-G130 CarbonylContact O-C 3.51Å; L127-D131 WeakPolarHBondContact O-CA 3.36Å; L127-D131 PolarHBondContact O-N 2.97Å; L127-V135 HydrophobicContact CD2-CG1 4.39Å; L127-C137 HydrophobicContact CD2-CB 3.81Å; L127-C137 HydrophobicContact CG-CB 4.05Å
128A97.4Very high96.8Very high39 Ų3935.6 Ų35.632%0.32218%0.183SC..Hα-helixtrans-70.6-44.9179.300000112.6Y56 K124 G125 L126 G130Y56-A128 HydrophobicContact CD2-CB 3.6Å; Y56-A128 HydrophobicContact CE2-CB 3.6Å; K124-A128 WeakPolarHBondContact O-CB 3.21Å; K124-A128 PolarHBondContact O-N 3.31Å; G125-A128 PolarHBondContact O-N 3.01Å; L126-A128 VanDerWaalsContact C-N 3.34Å; A128-G130 VanDerWaalsContact C-N 3.29Å; A128-G130 PolarHBondContact O-N 3.23Å
129L98.1Very high97.1Very high3 Ų336 Ų362%0.01619%0.186CC..Hα-helixtrans-68-29.8176.3-70168.8000112.4G52 I53 Y56 F58 I94 L97 G125G52-L129 WeakPolarHBondContact CA-O 3.42Å; I53-L129 HydrophobicContact CG1-CD2 4.21Å; Y56-L129 HydrophobicContact CD1-CD2 4.13Å; Y56-L129 HydrophobicContact CG-CD2 3.96Å; F58-L129 HydrophobicContact CD2-CD2 4.21Å; F58-L129 HydrophobicContact CE2-CD2 4.02Å; I94-L129 HydrophobicContact CG1-CD1 4.21Å; L97-L129 HydrophobicContact CD1-CB 3.61Å; G125-L129 WeakPolarHBondContact O-CB 3.37Å; G125-L129 WeakPolarHBondContact O-CG 3.38Å; G125-L129 PolarHBondContact O-N 2.91Å
130G98Very high97.3Very high0 Ų036 Ų360%019%0.186CC..THydrogen-bonded Turntrans-100.814.8-179.100000114.7L126 L127 A128 Y132 M133 N134L126-G130 WeakPolarHBondContact O-CA 3.22Å; L126-G130 PolarHBondContact O-N 3.19Å; L127-G130 CarbonylContact O-C 3.51Å; A128-G130 VanDerWaalsContact C-N 3.29Å; A128-G130 PolarHBondContact O-N 3.23Å; G130-Y132 VanDerWaalsContact C-N 3.34Å; G130-Y132 PolarHBondContact O-N 3.2Å; G130-M133 WeakPolarHBondContact O-CA 3.44Å; G130-M133 WeakPolarHBondContact O-CB 3.47Å; G130-M133 PolarHBondContact O-N 3.29Å; G130-N134 PolarHBondContact O-N 3.45Å
131D97.5Very high97.4Very high111 Ų11134.7 Ų34.759%0.59418%0.178SC*.G310 helixtrans-57.1-46.3-172.8-17140.2000111.6L127 M133 N134L127-D131 WeakPolarHBondContact O-CA 3.36Å; L127-D131 PolarHBondContact O-N 2.97Å; D131-M133 PolarHBondContact O-N 3.21Å; D131-N134 PolarHBondContact O-N 3.17Å
132Y97.7Very high97.4Very high97 Ų9734.3 Ų34.338%0.3818%0.18SC..G310 helixtrans-70.8-10176.8-58-64.6000114.6R51 A55 G130R51-Y132 HydrophobicContact CB-CD2 3.71Å; R51-Y132 HydrophobicContact CB-CE2 4Å; R51-Y132 HydrophobicContact CB-CG 4.39Å; A55-Y132 HydrophobicContact CB-CE2 3.7Å; G130-Y132 VanDerWaalsContact C-N 3.34Å; G130-Y132 PolarHBondContact O-N 3.2Å
133M97.7Very high97.1Very high13 Ų1336.7 Ų36.76%0.06420%0.204CC..G310 helixtrans-95.4-4.8178.2-56.5168.657.800112.3D48 L49 L97 I102 G130 D131 V135D48-M133 HydrophobicContact CB-CG 3.76Å; L49-M133 HydrophobicContact CB-SD 3.72Å; L49-M133 HydrophobicContact CD1-SD 4.02Å; L49-M133 HydrophobicContact CG-SD 4.37Å; L97-M133 HydrophobicContact CB-CE 4.25Å; L97-M133 HydrophobicContact CB-SD 4.21Å; L97-M133 HydrophobicContact CD2-CE 4.44Å; L97-M133 HydrophobicContact CD2-SD 4.38Å; L97-M133 WeakPolarHBondContact O-CE 3.46Å; I102-M133 HydrophobicContact CD1-CB 4.43Å; I102-M133 HydrophobicContact CD1-CE 4.09Å; I102-M133 HydrophobicContact CG1-CE 4.28Å; I102-M133 WeakPolarHBondContact CG2-O 3.35Å; G130-M133 WeakPolarHBondContact O-CA 3.44Å; G130-M133 WeakPolarHBondContact O-CB 3.47Å; G130-M133 PolarHBondContact O-N 3.29Å; D131-M133 PolarHBondContact O-N 3.21Å; M133-V135 PolarHBondContact O-N 3.4Å
134N95.9Very high96.7Very high112 Ų11237.1 Ų37.160%0.59921%0.209SC*.THydrogen-bonded Turntrans52.737-173.3-167.725.5000112.9G130 D131 Q136G130-N134 PolarHBondContact O-N 3.45Å; D131-N134 PolarHBondContact O-N 3.17Å; N134-Q136 PolarHBondContact O-NE2 3.11Å
135V98.1Very high96.7Very high7 Ų736.1 Ų36.14%0.04221%0.21CC..  trans-66.8138.6-17868.60000111L97 L100 I102 L127 M133 H158 V159L97-V135 HydrophobicContact CD2-CB 4.15Å; L97-V135 HydrophobicContact CD2-CG1 3.95Å; L97-V135 HydrophobicContact CD2-CG2 3.93Å; L100-V135 HydrophobicContact CD1-CG2 3.54Å; I102-V135 HydrophobicContact CD1-CB 4.34Å; I102-V135 HydrophobicContact CD1-CG2 4.35Å; L127-V135 HydrophobicContact CD2-CG1 4.39Å; M133-V135 PolarHBondContact O-N 3.4Å; V135-H158 HydrophobicContact CG2-CB 4Å; V135-V159 HydrophobicContact CG2-CG2 4.49Å
136Q98.3Very high96.7Very high43 Ų4337.8 Ų37.820%0.20122%0.218CC..  trans-97.9120171.6-56.9-55-61.100108.8N134 H158 V159N134-Q136 PolarHBondContact O-NE2 3.11Å; Q136-H158 PolarHBondContact N-ND1 2.87Å; Q136-H158 VanDerWaalsContact N-ND1 3.15Å; Q136-H158 PolarHBondContact O-N 3.12Å; Q136-V159 PolarHBondContact O-N 3.05Å; Q136-V159 VanDerWaalsContact O-N 3.12Å
137C98.5Very high96.6Very high7 Ų739.8 Ų39.85%0.04724%0.239CC..EExtended strand (participates in β ladder)trans-132.6129.7178.2-174.10000110.7Q123 L127 V159Q123-C137 HydrophobicContact CG-CB 4.25Å; Q123-C137 PolarHBondContact NE2-O 3.02Å; L127-C137 HydrophobicContact CD2-CB 3.81Å; L127-C137 HydrophobicContact CG-CB 4.05Å; C137-V159 VanDerWaalsContact CA-O 3.3Å; C137-V159 WeakPolarHBondContact CA-O 3.45Å; C137-V159 HydrophobicContact CB-CB 4.3Å
138H98.4Very high96.5Very high18 Ų1840.5 Ų40.58%0.08324%0.24CC..EExtended strand (participates in β ladder)trans-116.9140.4179.7-174.954.6000112.6D149 Q157 V159 A161H138-D149 IonicContact CD2-OD1 2.69Å; H138-D149 IonicContact CE1-OD1 3.45Å; H138-D149 PolarHBondContact CE1-OD1 2.69Å; H138-D149 IonicContact NE2-OD1 3.74Å; H138-D149 PolarHBondContact NE2-OD1 3.34Å; H138-Q157 HydrophobicContact CB-CB 4.34Å; H138-Q157 HydrophobicContact CB-CG 3.66Å; H138-V159 PolarHBondContact N-O 3.49Å; H138-V159 VanDerWaalsContact N-O 3.08Å; H138-A161 PolarHBondContact O-N 3.33Å
139A98.1Very high96.5Very high9 Ų938.9 Ų38.97%0.07423%0.226CC..EExtended strand (participates in β ladder)trans-91.9104.9172.100000110.6V120 Q123 I141 A161V120-A139 HydrophobicContact CG2-CB 3.91Å; Q123-A139 HydrophobicContact CB-CB 4.08Å; Q123-A139 HydrophobicContact CG-CB 4.18Å; Q123-A139 VanDerWaalsContact OE1-CB 3.23Å; A139-I141 PolarHBondContact O-N 2.99Å; A139-A161 CarbonylContact C-O 3.6Å; A139-A161 WeakPolarHBondContact CA-O 3.39Å
140C97.9Very high96.4Very high0 Ų041 Ų410%024%0.237CC..EExtended strand (participates in β ladder)trans-9585.6-177.5-162.30000110.5V160 A161 G162 T163 V167 M170C140-V160 HydrophobicContact CB-CG1 3.6Å; C140-A161 PolarHBondContact N-O 3.19Å; C140-G162 WeakPolarHBondContact O-CA 3.25Å; C140-T163 PolarHBondContact O-N 3.26Å; C140-T163 VanDerWaalsContact O-N 3.13Å; C140-V167 HydrophobicContact CB-CG2 4.05Å; C140-M170 VanDerWaalsContact SG-CG 3.53Å
141I96.5Very high96.4Very high3 Ų349.5 Ų49.52%0.01527%0.269CS..  trans-126.3149.6-168.855.7157.4000113.3R116 A119 V120 A139 T144 T163 R166R116-I141 HydrophobicContact CB-CB 4.08Å; R116-I141 HydrophobicContact CB-CD1 4Å; R116-I141 HydrophobicContact CB-CG2 4.18Å; R116-I141 HydrophobicContact CG-CB 4.06Å; R116-I141 HydrophobicContact CG-CG2 4.47Å; A119-I141 HydrophobicContact CB-CG2 3.62Å; V120-I141 HydrophobicContact CG2-CD1 3.66Å; A139-I141 PolarHBondContact O-N 2.99Å; I141-T144 HydrophobicContact CD1-CG2 3.86Å; I141-T144 HydrophobicContact CG1-CG2 3.76Å; I141-T144 PolarHBondContact O-OG1 3.22Å; I141-T163 HydrophobicContact CG2-CG2 4.3Å; I141-R166 PolarHBondContact O-NH1 3.46Å
142G93.4Very high96.4Very high13 Ų1348.5 Ų48.513%0.13426%0.259CS..THydrogen-bonded Turntrans-61.2158.8173.900000113.4R116 T144R116-G142 WeakPolarHBondContact CD-O 3.33Å; R116-G142 VanDerWaalsContact CZ-C 3.43Å; R116-G142 VanDerWaalsContact CZ-O 3.28Å; R116-G142 PolarHBondContact NE-O 3.47Å; R116-G142 VanDerWaalsContact NE-O 3.12Å; R116-G142 PolarHBondContact NH1-O 3.24Å; G142-T144 PolarHBondContact O-N 3.39Å
143G90.6Very high96.4Very high50 Ų5044.5 Ų44.552%0.51524%0.244SC..THydrogen-bonded Turntrans81.2-8.3176.300000115.6
144T91.1Very high96.4Very high44 Ų4449.3 Ų49.327%0.2727%0.27SS..SBendtrans-91.2165.9170.763.80000111.8I141 G142 V146 R166I141-T144 HydrophobicContact CD1-CG2 3.86Å; I141-T144 HydrophobicContact CG1-CG2 3.76Å; I141-T144 PolarHBondContact O-OG1 3.22Å; G142-T144 PolarHBondContact O-N 3.39Å; T144-V146 PolarHBondContact O-N 3.08Å; T144-R166 PolarHBondContact O-NH1 3.08Å; T144-R166 PolarHBondContact O-NH2 2.93Å; T144-R166 VanDerWaalsContact O-NH2 3.1Å; T144-R166 PolarHBondContact OG1-NH1 3.45Å
145N94.4Very high96.4Very high114 Ų11450.2 Ų50.261%0.6127%0.266SS*.  trans-66.5120.2177.3-174.1-58000110.8G147 E148 D149N145-G147 VanDerWaalsContact C-N 3.32Å; N145-G147 PolarHBondContact O-N 2.95Å; N145-G147 WeakPolarHBondContact OD1-CA 3.46Å; N145-G147 PolarHBondContact OD1-N 2.93Å; N145-E148 HydrophobicContact CB-CB 4.26Å; N145-E148 PolarHBondContact O-N 3.1Å; N145-E148 PolarHBondContact OD1-N 2.82Å; N145-D149 PolarHBondContact O-N 3.18Å
146V96.2Very high96.4Very high47 Ų4750.2 Ų50.229%0.28527%0.268SS..Hα-helixtrans-63.2-36.4-178.1175.10000112.4T144 E148 D149 I150 M170T144-V146 PolarHBondContact O-N 3.08Å; V146-E148 VanDerWaalsContact C-N 3.33Å; V146-E148 PolarHBondContact O-N 3.01Å; V146-D149 WeakPolarHBondContact O-CB 3.37Å; V146-D149 PolarHBondContact O-N 2.8Å; V146-I150 HydrophobicContact CG1-CD1 3.97Å; V146-I150 HydrophobicContact CG1-CG1 4.41Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.4Å; V146-I150 PolarHBondContact O-N 3.26Å; V146-M170 HydrophobicContact CG1-CE 3.79Å
147G97.1Very high96.4Very high41 Ų4148.5 Ų48.542%0.42326%0.26SS..Hα-helixtrans-65.4-36.4178.300000112.8N145 I150 R151N145-G147 VanDerWaalsContact C-N 3.32Å; N145-G147 PolarHBondContact O-N 2.95Å; N145-G147 WeakPolarHBondContact OD1-CA 3.46Å; N145-G147 PolarHBondContact OD1-N 2.93Å; G147-I150 PolarHBondContact O-N 2.71Å; G147-R151 WeakPolarHBondContact O-CB 3.27Å; G147-R151 PolarHBondContact O-N 2.92Å
148E95.8Very high96.4Very high80 Ų8048.4 Ų48.437%0.37426%0.259SS..Hα-helixtrans-69.3-40175-174.661-164.600111.5N145 V146 I150 R151 K152N145-E148 HydrophobicContact CB-CB 4.26Å; N145-E148 PolarHBondContact O-N 3.1Å; N145-E148 PolarHBondContact OD1-N 2.82Å; V146-E148 VanDerWaalsContact C-N 3.33Å; V146-E148 PolarHBondContact O-N 3.01Å; E148-I150 PolarHBondContact O-N 2.9Å; E148-R151 PolarHBondContact O-N 2.83Å; E148-K152 WeakPolarHBondContact O-CB 3.32Å; E148-K152 VanDerWaalsContact O-CG 3.29Å; E148-K152 WeakPolarHBondContact O-CG 3.45Å; E148-K152 PolarHBondContact O-N 2.91Å; E148-K152 WeakPolarHBondContact OE1-CE 3.26Å
149D96.9Very high96.4Very high4 Ų447.5 Ų47.52%0.02126%0.255CS..Hα-helixtrans-57.4-48.7172.2-86.7-9.4000111.4H138 N145 V146 R151 K152 L153 R166 M170H138-D149 IonicContact CD2-OD1 2.69Å; H138-D149 IonicContact CE1-OD1 3.45Å; H138-D149 PolarHBondContact CE1-OD1 2.69Å; H138-D149 IonicContact NE2-OD1 3.74Å; H138-D149 PolarHBondContact NE2-OD1 3.34Å; N145-D149 PolarHBondContact O-N 3.18Å; V146-D149 WeakPolarHBondContact O-CB 3.37Å; V146-D149 PolarHBondContact O-N 2.8Å; D149-R151 VanDerWaalsContact C-N 3.35Å; D149-R151 PolarHBondContact O-N 2.83Å; D149-K152 PolarHBondContact O-N 3.04Å; D149-L153 WeakPolarHBondContact O-CB 3.39Å; D149-L153 VanDerWaalsContact O-CG 3.25Å; D149-L153 WeakPolarHBondContact O-CG 3.44Å; D149-L153 PolarHBondContact O-N 3.24Å; D149-R166 IonicContact OD2-CZ 3.78Å; D149-R166 IonicContact OD2-NH1 3.26Å; D149-R166 PolarHBondContact OD2-NH1 2.89Å; D149-M170 HydrophobicContact CB-SD 4.11Å
150I97.5Very high96.4Very high47 Ų4747.1 Ų47.124%0.24125%0.251CS..Hα-helixtrans-58.6-48.3177.9-66.4171.2000110.2V146 G147 E148 K152 L153 D154 M170V146-I150 HydrophobicContact CG1-CD1 3.97Å; V146-I150 HydrophobicContact CG1-CG1 4.41Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.4Å; V146-I150 PolarHBondContact O-N 3.26Å; G147-I150 PolarHBondContact O-N 2.71Å; E148-I150 PolarHBondContact O-N 2.9Å; I150-K152 VanDerWaalsContact C-N 3.32Å; I150-K152 PolarHBondContact O-N 3.36Å; I150-L153 PolarHBondContact O-N 3.45Å; I150-D154 WeakPolarHBondContact CG2-OD2 3.5Å; I150-D154 WeakPolarHBondContact O-CB 3.47Å; I150-D154 PolarHBondContact O-N 2.66Å; I150-M170 HydrophobicContact CG1-SD 3.95Å
151R97.8Very high96.5Very high179 Ų17947.1 Ų47.168%0.67525%0.251SS*.Hα-helixtrans-58.4-42.1178.6-175.7-176.4-179.8176.52.2112.5G147 E148 D149 Y155G147-R151 WeakPolarHBondContact O-CB 3.27Å; G147-R151 PolarHBondContact O-N 2.92Å; E148-R151 PolarHBondContact O-N 2.83Å; D149-R151 VanDerWaalsContact C-N 3.35Å; D149-R151 PolarHBondContact O-N 2.83Å; R151-Y155 PolarHBondContact O-N 3.28Å
152K97.5Very high96.5Very high90 Ų9047 Ų4739%0.39125%0.251SS..Hα-helixtrans-66.8-41.5177.9-71.8-72.1-177179.10111.7E148 D149 I150 Y155 Q157E148-K152 WeakPolarHBondContact O-CB 3.32Å; E148-K152 VanDerWaalsContact O-CG 3.29Å; E148-K152 WeakPolarHBondContact O-CG 3.45Å; E148-K152 PolarHBondContact O-N 2.91Å; E148-K152 WeakPolarHBondContact OE1-CE 3.26Å; D149-K152 PolarHBondContact O-N 3.04Å; I150-K152 VanDerWaalsContact C-N 3.32Å; I150-K152 PolarHBondContact O-N 3.36Å; K152-Y155 WeakPolarHBondContact O-CB 3.4Å; K152-Y155 PolarHBondContact O-N 3.45Å; K152-Q157 WeakPolarHBondContact O-CG 3.33Å; K152-Q157 PolarHBondContact O-NE2 2.83Å
153L97.9Very high96.6Very high13 Ų1347 Ų477%0.06825%0.249CC..Hα-helixtrans-66-41.7176.6-68.8173.8000111.8D149 I150 Y155 G156 Q157 V160 M170 L176D149-L153 WeakPolarHBondContact O-CB 3.39Å; D149-L153 VanDerWaalsContact O-CG 3.25Å; D149-L153 WeakPolarHBondContact O-CG 3.44Å; D149-L153 PolarHBondContact O-N 3.24Å; I150-L153 PolarHBondContact O-N 3.45Å; L153-Y155 VanDerWaalsContact C-N 3.32Å; L153-Y155 PolarHBondContact O-N 3.39Å; L153-G156 WeakPolarHBondContact O-CA 3.36Å; L153-G156 PolarHBondContact O-N 3.02Å; L153-Q157 HydrophobicContact CD2-CG 4.48Å; L153-V160 HydrophobicContact CD2-CG2 3.78Å; L153-M170 HydrophobicContact CD1-CB 3.81Å; L153-M170 HydrophobicContact CD1-CG 3.77Å; L153-M170 HydrophobicContact CD1-SD 4.09Å; L153-L176 HydrophobicContact CD1-CB 4.03Å; L153-L176 HydrophobicContact CD2-CD1 3.97Å
154D97.1Very high96.9Very high114 Ų11444.7 Ų44.761%0.6122%0.224SC*.Hα-helixtrans-66.3-31.4176.7-73.5-24.1000112.7I150 G156I150-D154 WeakPolarHBondContact CG2-OD2 3.5Å; I150-D154 WeakPolarHBondContact O-CB 3.47Å; I150-D154 PolarHBondContact O-N 2.66Å; D154-G156 PolarHBondContact O-N 3.26Å
155Y96.6Very high97.1Very high131 Ų13144.3 Ų44.351%0.51423%0.229SC..Hα-helixtrans-62.2-22.8171.7-176.1-100.3000112.6R105 R151 K152 L153R105-Y155 WeakPolarHBondContact CD-O 3.37Å; R105-Y155 PolarHBondContact NH1-OH 3.48Å; R151-Y155 PolarHBondContact O-N 3.28Å; K152-Y155 WeakPolarHBondContact O-CB 3.4Å; K152-Y155 PolarHBondContact O-N 3.45Å; L153-Y155 VanDerWaalsContact C-N 3.32Å; L153-Y155 PolarHBondContact O-N 3.39Å
156G96.5Very high97.2Very high8 Ų840.2 Ų40.28%0.08221%0.205CC..  trans91.4118.6-177.800000111.9R105 L153 D154R105-G156 WeakPolarHBondContact CG-O 3.44Å; R105-G156 WeakPolarHBondContact O-CA 3.42Å; L153-G156 WeakPolarHBondContact O-CA 3.36Å; L153-G156 PolarHBondContact O-N 3.02Å; D154-G156 PolarHBondContact O-N 3.26Å
157Q98.4Very high97.3Very high7 Ų738 Ų383%0.03319%0.192CC..  trans-121.5126.3-179.4-58.3-62.5-42.200108.5E106 T107 H138 K152 L153 V159 V160E106-Q157 CarbonylContact C-O 3.52Å; E106-Q157 VanDerWaalsContact C-O 3.26Å; T107-Q157 WeakPolarHBondContact CA-O 3.46Å; T107-Q157 WeakPolarHBondContact CB-O 3.14Å; T107-Q157 PolarHBondContact N-O 2.67Å; T107-Q157 PolarHBondContact OG1-O 3.32Å; H138-Q157 HydrophobicContact CB-CB 4.34Å; H138-Q157 HydrophobicContact CB-CG 3.66Å; K152-Q157 WeakPolarHBondContact O-CG 3.33Å; K152-Q157 PolarHBondContact O-NE2 2.83Å; L153-Q157 HydrophobicContact CD2-CG 4.48Å; Q157-V159 VanDerWaalsContact C-N 3.31Å; Q157-V160 HydrophobicContact CB-CG2 4.22Å
158H98.7Very high97.3Very high4 Ų437.5 Ų37.52%0.01918%0.178CC..SBendtrans-67.4-36.3177-55138.1000111.3L100 I102 V104 Q108 A109 V135 Q136L100-H158 HydrophobicContact CD1-CB 4Å; L100-H158 HydrophobicContact CD2-CB 4.31Å; I102-H158 PolarHBondContact O-NE2 2.79Å; V104-H158 PolarHBondContact O-CD2 3.4Å; V104-H158 VanDerWaalsContact O-CD2 3.31Å; Q108-H158 PolarHBondContact N-O 3.32Å; A109-H158 PolarHBondContact N-O 3.31Å; V135-H158 HydrophobicContact CG2-CB 4Å; Q136-H158 PolarHBondContact N-ND1 2.87Å; Q136-H158 VanDerWaalsContact N-ND1 3.15Å; Q136-H158 PolarHBondContact O-N 3.12Å
159V98.8Very high97.4Very high0 Ų035.9 Ų35.90%017%0.172CC..EExtended strand (participates in β ladder)trans-128.7139.5179.1-171.20000110.2V96 L100 A109 I111 L126 V135 Q136 C137 H138 Q157V96-V159 HydrophobicContact CG1-CG1 4.23Å; V96-V159 HydrophobicContact CG1-CG2 3.7Å; L100-V159 HydrophobicContact CD1-CG2 3.64Å; L100-V159 HydrophobicContact CD2-CG2 4Å; L100-V159 HydrophobicContact CG-CG2 4.38Å; A109-V159 HydrophobicContact CB-CG1 4.26Å; A109-V159 HydrophobicContact CB-CG2 4.37Å; A109-V159 WeakPolarHBondContact O-CA 3.5Å; I111-V159 HydrophobicContact CD1-CG1 4.03Å; I111-V159 HydrophobicContact CG1-CG1 4.29Å; L126-V159 HydrophobicContact CD1-CB 4.4Å; L126-V159 HydrophobicContact CD1-CG1 3.69Å; V135-V159 HydrophobicContact CG2-CG2 4.49Å; Q136-V159 PolarHBondContact O-N 3.05Å; Q136-V159 VanDerWaalsContact O-N 3.12Å; C137-V159 VanDerWaalsContact CA-O 3.3Å; C137-V159 WeakPolarHBondContact CA-O 3.45Å; C137-V159 HydrophobicContact CB-CB 4.3Å; H138-V159 PolarHBondContact N-O 3.49Å; H138-V159 VanDerWaalsContact N-O 3.08Å; Q157-V159 VanDerWaalsContact C-N 3.31Å
160V98.8Very high97.4Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-118.8121.6168.2174.10000108.3T107 A109 L110 I111 C140 L153 Q157 L176T107-V160 HydrophobicContact CG2-CB 4.07Å; T107-V160 HydrophobicContact CG2-CG2 3.71Å; A109-V160 PolarHBondContact O-N 2.68Å; L110-V160 CarbonylContact C-O 3.46Å; L110-V160 WeakPolarHBondContact CA-O 3.32Å; L110-V160 HydrophobicContact CD1-CB 4.05Å; L110-V160 HydrophobicContact CD1-CG1 3.96Å; I111-V160 PolarHBondContact N-O 3.23Å; C140-V160 HydrophobicContact CB-CG1 3.6Å; L153-V160 HydrophobicContact CD2-CG2 3.78Å; Q157-V160 HydrophobicContact CB-CG2 4.22Å; V160-L176 HydrophobicContact CG1-CD2 4.42Å; V160-L176 HydrophobicContact CG2-CD1 4.04Å
161A98.6Very high97.4Very high0 Ų033.8 Ų33.80%016%0.161CC..EExtended strand (participates in β ladder)trans-105.7132.216900000108.5I111 I122 Q123 H138 A139 C140I111-A161 HydrophobicContact CB-CB 4.3Å; I111-A161 CarbonylContact O-C 3.55Å; I111-A161 VanDerWaalsContact O-CA 3.31Å; I111-A161 WeakPolarHBondContact O-CA 3.19Å; I122-A161 HydrophobicContact CB-CB 4.3Å; I122-A161 HydrophobicContact CG2-CB 3.92Å; Q123-A161 HydrophobicContact CB-CB 4.48Å; H138-A161 PolarHBondContact O-N 3.33Å; A139-A161 CarbonylContact C-O 3.6Å; A139-A161 WeakPolarHBondContact CA-O 3.39Å; C140-A161 PolarHBondContact N-O 3.19Å
162G97.8Very high97.4Very high0 Ų033 Ų330%016%0.158CC..EExtended strand (participates in β ladder)trans-166.8172.8-172.900000115.9I111 L112 A113 C140I111-G162 PolarHBondContact O-N 3.13Å; L112-G162 WeakPolarHBondContact CA-O 3.18Å; A113-G162 PolarHBondContact N-O 2.87Å; C140-G162 WeakPolarHBondContact O-CA 3.25Å
163T95.5Very high97.3Very high15 Ų1535.6 Ų35.69%0.09217%0.166CC..  trans-90.4140.9171.653.20000110R116 C140 I141 G165 R166 V167R116-T163 HydrophobicContact CG-CG2 3.95Å; C140-T163 PolarHBondContact O-N 3.26Å; C140-T163 VanDerWaalsContact O-N 3.13Å; I141-T163 HydrophobicContact CG2-CG2 4.3Å; T163-G165 VanDerWaalsContact C-N 3.32Å; T163-G165 PolarHBondContact O-N 3.15Å; T163-G165 VanDerWaalsContact O-N 3.14Å; T163-R166 PolarHBondContact O-N 3.33Å; T163-R166 VanDerWaalsContact O-N 3.16Å; T163-V167 PolarHBondContact O-N 3.36Å; T163-V167 VanDerWaalsContact O-N 3.13Å
164P95.7Very high97.3Very high0 Ų044.1 Ų44.10%020%0.197CC..Hα-helixtrans-49.2-46.8-172.9-31.536.5000114.5R166 V167 F168 M192 F197 Q200 I201P164-R166 PolarHBondContact O-N 2.88Å; P164-V167 PolarHBondContact O-N 3Å; P164-F168 VanDerWaalsContact O-CB 3.25Å; P164-F168 WeakPolarHBondContact O-CB 3.3Å; P164-F168 PolarHBondContact O-N 3.44Å; P164-M192 HydrophobicContact CG-CE 3.35Å; P164-M192 HydrophobicContact CG-SD 4.27Å; P164-F197 HydrophobicContact CB-CD1 4.48Å; P164-F197 HydrophobicContact CG-CD1 3.96Å; P164-F197 HydrophobicContact CG-CE1 4.41Å; P164-Q200 HydrophobicContact CB-CB 3.72Å; P164-I201 HydrophobicContact CG-CG1 4.34Å
165G95.3Very high97.3Very high37 Ų3739.3 Ų39.338%0.38117%0.172SC..Hα-helixtrans-58.5-46.5-178.800000114.8T163 D169T163-G165 VanDerWaalsContact C-N 3.32Å; T163-G165 PolarHBondContact O-N 3.15Å; T163-G165 VanDerWaalsContact O-N 3.14Å; G165-D169 WeakPolarHBondContact O-CB 3.27Å; G165-D169 PolarHBondContact O-N 3.36Å; G165-D169 VanDerWaalsContact O-N 3.1Å
166R96.4Very high97.4Very high28 Ų2833.3 Ų33.311%0.10615%0.149CC..Hα-helixtrans-73.7-39.9179.6178.860.366.380.70.4111.6I141 T144 D149 T163 P164 F168 D169 M170I141-R166 PolarHBondContact O-NH1 3.46Å; T144-R166 PolarHBondContact O-NH1 3.08Å; T144-R166 PolarHBondContact O-NH2 2.93Å; T144-R166 VanDerWaalsContact O-NH2 3.1Å; T144-R166 PolarHBondContact OG1-NH1 3.45Å; D149-R166 IonicContact OD2-CZ 3.78Å; D149-R166 IonicContact OD2-NH1 3.26Å; D149-R166 PolarHBondContact OD2-NH1 2.89Å; T163-R166 PolarHBondContact O-N 3.33Å; T163-R166 VanDerWaalsContact O-N 3.16Å; P164-R166 PolarHBondContact O-N 2.88Å; R166-F168 VanDerWaalsContact C-N 3.34Å; R166-F168 PolarHBondContact O-N 3.02Å; R166-D169 PolarHBondContact O-N 3.42Å; R166-M170 WeakPolarHBondContact O-CG 3.34Å; R166-M170 PolarHBondContact O-N 3.4Å
167V98.2Very high97.4Very high0 Ų041 Ų410%018%0.176CC..Hα-helixtrans-58.4-49175.4169.60000110.3L110 L112 C140 T163 P164 D169 M170 I171 L176 V204L110-V167 HydrophobicContact CD1-CG1 3.84Å; L110-V167 HydrophobicContact CD1-CG2 4.29Å; L110-V167 HydrophobicContact CD2-CG1 3.98Å; L112-V167 HydrophobicContact CD2-CB 4.13Å; L112-V167 HydrophobicContact CD2-CG1 4.04Å; L112-V167 HydrophobicContact CD2-CG2 3.87Å; C140-V167 HydrophobicContact CB-CG2 4.05Å; T163-V167 PolarHBondContact O-N 3.36Å; T163-V167 VanDerWaalsContact O-N 3.13Å; P164-V167 PolarHBondContact O-N 3Å; V167-D169 PolarHBondContact O-N 3.22Å; V167-M170 PolarHBondContact O-N 3.45Å; V167-I171 HydrophobicContact CG1-CD1 3.88Å; V167-I171 WeakPolarHBondContact O-CG1 3.37Å; V167-I171 PolarHBondContact O-N 3.1Å; V167-L176 HydrophobicContact CG1-CD2 4.11Å; V167-V204 HydrophobicContact CG1-CG1 4.23Å; V167-V204 HydrophobicContact CG1-CG2 4.16Å
168F97.3Very high97.4Very high31 Ų3141.9 Ų41.914%0.13618%0.182CC..Hα-helixtrans-61.4-42.9178.8-178-127.7000112.5P164 R166 M170 I171 R172 D203 V204 Y207P164-F168 VanDerWaalsContact O-CB 3.25Å; P164-F168 WeakPolarHBondContact O-CB 3.3Å; P164-F168 PolarHBondContact O-N 3.44Å; R166-F168 VanDerWaalsContact C-N 3.34Å; R166-F168 PolarHBondContact O-N 3.02Å; F168-M170 VanDerWaalsContact C-N 3.34Å; F168-M170 PolarHBondContact O-N 2.89Å; F168-I171 PolarHBondContact O-N 3.28Å; F168-R172 HydrophobicContact CD2-CG 4.1Å; F168-R172 VanDerWaalsContact CE1-CD 3.46Å; F168-R172 HydrophobicContact CE1-CG 4.31Å; F168-R172 HydrophobicContact CE2-CG 3.74Å; F168-R172 HydrophobicContact CZ-CG 3.9Å; F168-R172 WeakPolarHBondContact O-CB 3.46Å; F168-R172 WeakPolarHBondContact O-CG 3.4Å; F168-R172 PolarHBondContact O-N 2.97Å; F168-D203 HydrophobicContact CD2-CB 3.96Å; F168-D203 HydrophobicContact CE1-CB 4.12Å; F168-D203 HydrophobicContact CE2-CB 3.55Å; F168-D203 HydrophobicContact CG-CB 4.41Å; F168-D203 HydrophobicContact CZ-CB 3.59Å; F168-V204 HydrophobicContact CB-CG2 3.84Å; F168-V204 HydrophobicContact CD2-CG2 4.34Å; F168-Y207 HydrophobicContact CE2-CD2 4.35Å; F168-Y207 AromaticContact CE2-CE2 3.87Å; F168-Y207 HydrophobicContact CE2-CE2 3.87Å
169D97.5Very high97.3Very high45 Ų4550.7 Ų50.724%0.24122%0.215CC..Hα-helixtrans-57.8-45.5174.3-178.760000111.5G165 R166 V167 I171 R172 R173G165-D169 WeakPolarHBondContact O-CB 3.27Å; G165-D169 PolarHBondContact O-N 3.36Å; G165-D169 VanDerWaalsContact O-N 3.1Å; R166-D169 PolarHBondContact O-N 3.42Å; V167-D169 PolarHBondContact O-N 3.22Å; D169-I171 PolarHBondContact O-N 3.45Å; D169-R172 PolarHBondContact O-N 3.32Å; D169-R173 WeakPolarHBondContact O-CB 3.36Å; D169-R173 VanDerWaalsContact O-CG 3.25Å; D169-R173 WeakPolarHBondContact O-CG 3.28Å; D169-R173 PolarHBondContact O-N 3.22Å; D169-R173 IonicContact OD1-CZ 3.56Å; D169-R173 IonicContact OD1-NE 3.43Å; D169-R173 PolarHBondContact OD1-NE 3.38Å; D169-R173 IonicContact OD1-NH2 3.72Å; D169-R173 PolarHBondContact OD1-NH2 3.14Å; D169-R173 IonicContact OD2-CZ 2.74Å; D169-R173 IonicContact OD2-NE 2.63Å; D169-R173 PolarHBondContact OD2-NE 2.99Å; D169-R173 IonicContact OD2-NH2 3.12Å
170M98.1Very high97.3Very high0 Ų052 Ų520%023%0.226CC..Hα-helixtrans-65.8-36178.1-68-56.798.300112.9C140 V146 D149 I150 L153 R166 V167 F168 R174 S175 L176C140-M170 VanDerWaalsContact SG-CG 3.53Å; V146-M170 HydrophobicContact CG1-CE 3.79Å; D149-M170 HydrophobicContact CB-SD 4.11Å; I150-M170 HydrophobicContact CG1-SD 3.95Å; L153-M170 HydrophobicContact CD1-CB 3.81Å; L153-M170 HydrophobicContact CD1-CG 3.77Å; L153-M170 HydrophobicContact CD1-SD 4.09Å; R166-M170 WeakPolarHBondContact O-CG 3.34Å; R166-M170 PolarHBondContact O-N 3.4Å; V167-M170 PolarHBondContact O-N 3.45Å; F168-M170 VanDerWaalsContact C-N 3.34Å; F168-M170 PolarHBondContact O-N 2.89Å; M170-R174 PolarHBondContact O-N 2.74Å; M170-S175 PolarHBondContact O-N 3.34Å; M170-L176 HydrophobicContact CB-CB 3.94Å; M170-L176 PolarHBondContact O-N 3.42Å
171I97.9Very high97.2Very high8 Ų852.1 Ų52.14%0.04123%0.226CC..Hα-helixtrans-66.5-48.9174.6-68.6172000110.5V167 F168 D169 R173 R174 L176 T178 V204 Y207V167-I171 HydrophobicContact CG1-CD1 3.88Å; V167-I171 WeakPolarHBondContact O-CG1 3.37Å; V167-I171 PolarHBondContact O-N 3.1Å; F168-I171 PolarHBondContact O-N 3.28Å; D169-I171 PolarHBondContact O-N 3.45Å; I171-R173 VanDerWaalsContact C-N 3.29Å; I171-R173 PolarHBondContact O-N 2.73Å; I171-R174 WeakPolarHBondContact O-CA 3.34Å; I171-R174 PolarHBondContact O-N 3.15Å; I171-L176 HydrophobicContact CD1-CD2 4.17Å; I171-L176 HydrophobicContact CG1-CB 3.94Å; I171-L176 HydrophobicContact CG1-CD2 3.76Å; I171-L176 HydrophobicContact CG1-CG 3.93Å; I171-T178 HydrophobicContact CD1-CG2 3.96Å; I171-T178 HydrophobicContact CG1-CG2 3.95Å; I171-T178 HydrophobicContact CG2-CG2 4.3Å; I171-V204 HydrophobicContact CD1-CG1 3.98Å; I171-Y207 HydrophobicContact CG2-CD1 3.56Å; I171-Y207 HydrophobicContact CG2-CD2 4.03Å; I171-Y207 HydrophobicContact CG2-CE1 4.25Å; I171-Y207 HydrophobicContact CG2-CG 3.43Å; I171-Y207 VanDerWaalsContact CG2-CG 3.43Å
172R96.7Very high97.2Very high163 Ų16356 Ų5662%0.61524%0.243SC*.Hα-helixtrans-61.9-36.2-179.5-77.2-172.467.7176.13.7112.8F168 D169 R174F168-R172 HydrophobicContact CD2-CG 4.1Å; F168-R172 VanDerWaalsContact CE1-CD 3.46Å; F168-R172 HydrophobicContact CE1-CG 4.31Å; F168-R172 HydrophobicContact CE2-CG 3.74Å; F168-R172 HydrophobicContact CZ-CG 3.9Å; F168-R172 WeakPolarHBondContact O-CB 3.46Å; F168-R172 WeakPolarHBondContact O-CG 3.4Å; F168-R172 PolarHBondContact O-N 2.97Å; D169-R172 PolarHBondContact O-N 3.32Å; R172-R174 PolarHBondContact O-N 2.72Å
173R96.3Very high97.3Very high143 Ų14356.2 Ų56.254%0.5424%0.244SC..THydrogen-bonded Turntrans-72.7-5.5173.7-69.8173.1-173-94.5-3.9113.6D169 I171 S175D169-R173 WeakPolarHBondContact O-CB 3.36Å; D169-R173 VanDerWaalsContact O-CG 3.25Å; D169-R173 WeakPolarHBondContact O-CG 3.28Å; D169-R173 PolarHBondContact O-N 3.22Å; D169-R173 IonicContact OD1-CZ 3.56Å; D169-R173 IonicContact OD1-NE 3.43Å; D169-R173 PolarHBondContact OD1-NE 3.38Å; D169-R173 IonicContact OD1-NH2 3.72Å; D169-R173 PolarHBondContact OD1-NH2 3.14Å; D169-R173 IonicContact OD2-CZ 2.74Å; D169-R173 IonicContact OD2-NE 2.63Å; D169-R173 PolarHBondContact OD2-NE 2.99Å; D169-R173 IonicContact OD2-NH2 3.12Å; I171-R173 VanDerWaalsContact C-N 3.29Å; I171-R173 PolarHBondContact O-N 2.73Å; R173-S175 PolarHBondContact O-N 3.34Å
174R96.7Very high97.4Very high192 Ų19255.5 Ų55.573%0.72524%0.24SC*.THydrogen-bonded Turntrans62.322.7-173.4-51.1179.4174.5-170.1-2.4113.6M170 I171 R172 R177M170-R174 PolarHBondContact O-N 2.74Å; I171-R174 WeakPolarHBondContact O-CA 3.34Å; I171-R174 PolarHBondContact O-N 3.15Å; R172-R174 PolarHBondContact O-N 2.72Å; R174-R177 PolarHBondContact O-NE 3.39Å
175S97.3Very high97.5Very high14 Ų1455.5 Ų55.510%0.09824%0.24CC..  trans-83.8-40.7175.2-54.80000110.9M170 R173M170-S175 PolarHBondContact O-N 3.34Å; R173-S175 PolarHBondContact O-N 3.34Å
176L98.2Very high97.6Very high5 Ų553.8 Ų53.83%0.02622%0.222CC..SBendtrans-89.2109.1167.5177.653.3000109.4T107 L110 L153 V160 V167 M170 I171T107-L176 HydrophobicContact CG2-CD1 4.2Å; L110-L176 HydrophobicContact CD1-CD2 4.46Å; L153-L176 HydrophobicContact CD1-CB 4.03Å; L153-L176 HydrophobicContact CD2-CD1 3.97Å; V160-L176 HydrophobicContact CG1-CD2 4.42Å; V160-L176 HydrophobicContact CG2-CD1 4.04Å; V167-L176 HydrophobicContact CG1-CD2 4.11Å; M170-L176 HydrophobicContact CB-CB 3.94Å; M170-L176 PolarHBondContact O-N 3.42Å; I171-L176 HydrophobicContact CD1-CD2 4.17Å; I171-L176 HydrophobicContact CG1-CB 3.94Å; I171-L176 HydrophobicContact CG1-CD2 3.76Å; I171-L176 HydrophobicContact CG1-CG 3.93Å
177R97.1Very high97.5Very high169 Ų16952.5 Ų52.564%0.63822%0.217SC*.  trans-85.3123.4174.4-57.9-59.5178.8101.33.8109.6R174R174-R177 PolarHBondContact O-NE 3.39Å
178T97.9Very high97.2Very high26 Ų2652.8 Ų52.816%0.1622%0.218CC..  trans-97.7-2-171.456.30000114.2I171 A180 I181 Y207 L208 P209I171-T178 HydrophobicContact CD1-CG2 3.96Å; I171-T178 HydrophobicContact CG1-CG2 3.95Å; I171-T178 HydrophobicContact CG2-CG2 4.3Å; T178-A180 VanDerWaalsContact C-N 3.29Å; T178-A180 PolarHBondContact O-N 2.86Å; T178-I181 HydrophobicContact CG2-CD1 3.83Å; T178-I181 WeakPolarHBondContact O-CB 3.5Å; T178-I181 PolarHBondContact O-N 3.31Å; T178-Y207 WeakPolarHBondContact CB-O 3.49Å; T178-Y207 PolarHBondContact OG1-O 2.89Å; T178-L208 HydrophobicContact CG2-CD2 3.99Å; T178-P209 VanDerWaalsContact O-CD 3.28Å; T178-P209 WeakPolarHBondContact O-CD 3.48Å; T178-P209 WeakPolarHBondContact O-CG 3.28Å
179R97.4Very high96.9Very high189 Ų18951.3 Ų51.371%0.71321%0.212SC*.THydrogen-bonded Turntrans-54.5-40.7-170.8-177.8-179.768.1162.80.3113.8E106E106-R179 IonicContact OE1-CZ 2.82Å; E106-R179 IonicContact OE1-NH2 3.98Å; E106-R179 PolarHBondContact OE1-NH2 3.18Å; E106-R179 IonicContact OE2-CZ 3.88Å; E106-R179 IonicContact OE2-NE 2.96Å; E106-R179 PolarHBondContact OE2-NE 2.83Å; E106-R179 IonicContact OE2-NH2 3.92Å; E106-R179 PolarHBondContact OE2-NH2 2.9Å
180A98Very high96.5Very high28 Ų2849.3 Ų49.323%0.23120%0.201CC..THydrogen-bonded Turntrans-89.4-1-177.300000113.7E106 T107 Q108 T178 K182E106-A180 HydrophobicContact CB-CB 3.67Å; T107-A180 CarbonylContact O-C 3.51Å; T107-A180 WeakPolarHBondContact O-CB 3.26Å; Q108-A180 WeakPolarHBondContact CA-O 3.49Å; Q108-A180 HydrophobicContact CG-CB 4.19Å; T178-A180 VanDerWaalsContact C-N 3.29Å; T178-A180 PolarHBondContact O-N 2.86Å; A180-K182 PolarHBondContact O-N 3.05Å; A180-K182 VanDerWaalsContact O-N 3.13Å
181I98.5Very high96Very high2 Ų251.7 Ų51.71%0.0121%0.212CC..  trans-69.1113.7-176.9-63.2176.9000109.6T107 Q108 L110 T178 L208 P209 T212T107-I181 HydrophobicContact CG2-CD1 4.2Å; T107-I181 HydrophobicContact CG2-CG1 4.08Å; T107-I181 WeakPolarHBondContact O-CG1 3.4Å; T107-I181 PolarHBondContact O-N 3.23Å; T107-I181 VanDerWaalsContact O-N 3.16Å; Q108-I181 WeakPolarHBondContact O-CA 3.39Å; L110-I181 HydrophobicContact CB-CD1 4.2Å; L110-I181 HydrophobicContact CB-CG2 4.35Å; T178-I181 HydrophobicContact CG2-CD1 3.83Å; T178-I181 WeakPolarHBondContact O-CB 3.5Å; T178-I181 PolarHBondContact O-N 3.31Å; I181-L208 HydrophobicContact CB-CD2 4.42Å; I181-L208 HydrophobicContact CD1-CD2 3.72Å; I181-L208 HydrophobicContact CG2-CD2 4.17Å; I181-P209 WeakPolarHBondContact O-CD 3.47Å; I181-P209 WeakPolarHBondContact O-CG 3.32Å; I181-T212 HydrophobicContact CG2-CG2 4.21Å; I181-T212 PolarHBondContact O-OG1 2.93Å; I181-T212 VanDerWaalsContact O-OG1 3.08Å
182K98Very high95.6Very high82 Ų8251.3 Ų51.336%0.35721%0.21SC..  trans-106.6-15.2176.456.3-176.6165.9-160.20113.2C99 Q108 A180 Q213C99-K182 WeakPolarHBondContact O-CE 3.44Å; C99-K182 PolarHBondContact O-NZ 2.89Å; Q108-K182 WeakPolarHBondContact O-CG 3.37Å; Q108-K182 PolarHBondContact O-N 2.75Å; A180-K182 PolarHBondContact O-N 3.05Å; A180-K182 VanDerWaalsContact O-N 3.13Å; K182-Q213 WeakPolarHBondContact O-CB 3.31Å; K182-Q213 PolarHBondContact O-N 3.32Å
183M98.5Very high95.1Very high3 Ų343.8 Ų43.82%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-135.9129.8-178.8-165.9-176.4-72.200111.6I72 V96 C99 Q108 A109 L110 V185 Q213 V215I72-M183 HydrophobicContact CG2-CE 3.62Å; I72-M183 HydrophobicContact CG2-SD 4.08Å; V96-M183 HydrophobicContact CB-SD 4.4Å; V96-M183 HydrophobicContact CG2-SD 3.44Å; V96-M183 WeakPolarHBondContact CG2-SD 3.46Å; C99-M183 HydrophobicContact CB-CE 4.31Å; Q108-M183 PolarHBondContact O-N 3.02Å; A109-M183 WeakPolarHBondContact CA-O 3.44Å; A109-M183 HydrophobicContact CB-CB 4.28Å; L110-M183 PolarHBondContact N-O 3.49Å; M183-V185 HydrophobicContact CG-CG2 4.05Å; M183-V185 HydrophobicContact SD-CG2 3.98Å; M183-Q213 CarbonylContact C-O 3.54Å; M183-Q213 WeakPolarHBondContact CA-O 3.36Å; M183-V215 HydrophobicContact CG-CG2 4.26Å; M183-V215 HydrophobicContact SD-CG2 4.4Å
184L98.3Very high94.4Very high1 Ų139.7 Ų39.71%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-111.8120.6167.7173.464.3000108.5L110 L112 L186 Y205 L208 T212 Q213 V214 V215L110-L184 HydrophobicContact CB-CD1 4.33Å; L110-L184 HydrophobicContact CD2-CD1 4.12Å; L110-L184 HydrophobicContact CG-CD1 4.12Å; L110-L184 CarbonylContact O-C 3.43Å; L110-L184 WeakPolarHBondContact O-CA 3.21Å; L112-L184 HydrophobicContact CD1-CD1 4.09Å; L112-L184 HydrophobicContact CG-CD1 4.09Å; L184-L186 HydrophobicContact CD1-CD2 4.08Å; L184-L186 HydrophobicContact CD2-CD2 4.32Å; L184-L186 HydrophobicContact CG-CD2 4.13Å; L184-Y205 HydrophobicContact CD2-CD2 3.93Å; L184-L208 HydrophobicContact CB-CD1 3.96Å; L184-L208 HydrophobicContact CD1-CD1 4.18Å; L184-L208 HydrophobicContact CD2-CD1 3.87Å; L184-L208 HydrophobicContact CG-CD1 4.22Å; L184-T212 HydrophobicContact CB-CG2 3.82Å; L184-Q213 PolarHBondContact N-O 3.45Å; L184-V214 CarbonylContact O-C 3.59Å; L184-V214 WeakPolarHBondContact O-CA 3.43Å; L184-V215 PolarHBondContact O-N 3.42Å
185V98.2Very high93.1Very high0 Ų041 Ų410%018%0.182CC..EExtended strand (participates in β ladder)trans-110131.2174.9-173.70000109.4F92 V96 L110 I111 L112 M183 V215 I217F92-V185 HydrophobicContact CB-CG1 3.96Å; F92-V185 HydrophobicContact CD1-CG1 4.11Å; F92-V185 HydrophobicContact CD2-CG1 3.98Å; F92-V185 HydrophobicContact CE1-CG1 4.48Å; F92-V185 HydrophobicContact CE2-CG1 4.47Å; F92-V185 HydrophobicContact CG-CG1 3.78Å; V96-V185 HydrophobicContact CG2-CG2 3.96Å; L110-V185 PolarHBondContact O-N 2.9Å; I111-V185 CarbonylContact C-O 3.57Å; I111-V185 WeakPolarHBondContact CA-O 3.42Å; I111-V185 HydrophobicContact CB-CB 4.33Å; I111-V185 HydrophobicContact CG1-CB 4.03Å; I111-V185 HydrophobicContact CG1-CG2 4.18Å; I111-V185 HydrophobicContact CG2-CB 4.06Å; I111-V185 HydrophobicContact CG2-CG1 4.26Å; L112-V185 PolarHBondContact N-O 3.12Å; M183-V185 HydrophobicContact CG-CG2 4.05Å; M183-V185 HydrophobicContact SD-CG2 3.98Å; V185-V215 CarbonylContact C-O 3.59Å; V185-V215 VanDerWaalsContact CA-O 3.3Å; V185-V215 WeakPolarHBondContact CA-O 3.46Å; V185-V215 HydrophobicContact CG1-CB 4.36Å; V185-V215 HydrophobicContact CG1-CG1 4.37Å; V185-V215 HydrophobicContact CG2-CB 4.17Å; V185-I217 HydrophobicContact CG1-CG1 4.36Å
186L96.7Very high92.2Very high0 Ų042.5 Ų42.50%020%0.2CC..EExtended strand (participates in β ladder)trans-110.5103.8172.3-54-176.9000108.4L112 L184 A189 L193 I201 V215 L216 I217 F232L112-L186 HydrophobicContact CB-CD2 3.91Å; L112-L186 HydrophobicContact CD1-CD2 3.85Å; L112-L186 HydrophobicContact CG-CD2 4.17Å; L184-L186 HydrophobicContact CD1-CD2 4.08Å; L184-L186 HydrophobicContact CD2-CD2 4.32Å; L184-L186 HydrophobicContact CG-CD2 4.13Å; L186-A189 HydrophobicContact CB-CB 4.42Å; L186-L193 HydrophobicContact CD1-CD2 4.45Å; L186-I201 HydrophobicContact CD1-CG2 4.16Å; L186-I201 HydrophobicContact CD2-CG2 4.15Å; L186-V215 PolarHBondContact N-O 2.99Å; L186-L216 HydrophobicContact CB-CD1 4.48Å; L186-L216 HydrophobicContact CB-CG 4.39Å; L186-L216 HydrophobicContact CD1-CD1 4Å; L186-L216 HydrophobicContact CD1-CG 4.25Å; L186-L216 HydrophobicContact CG-CD1 4.34Å; L186-I217 PolarHBondContact O-N 2.89Å; L186-F232 HydrophobicContact CD1-CE2 4.29Å
187D94.8Very high91.5Very high2 Ų244.8 Ų44.81%0.01121%0.21CC..EExtended strand (participates in β ladder)trans-86.5142.7173.4-161.914.6000110F92 L112 P114 I122 M192F92-D187 HydrophobicContact CE1-CB 4.03Å; F92-D187 HydrophobicContact CZ-CB 4.08Å; L112-D187 PolarHBondContact O-N 3.4Å; P114-D187 WeakPolarHBondContact CD-O 2.97Å; I122-D187 HydrophobicContact CD1-CB 4.17Å; D187-M192 VanDerWaalsContact O-CG 3.31Å; D187-M192 WeakPolarHBondContact O-CG 3.41Å
188E91.3Very high91Very high6 Ų640.9 Ų40.93%0.02820%0.197CC..THydrogen-bonded Turntrans53.451.6-168.1-52.4-73.8-163.200111.5P114 L118 D190 E191 M192 I217 R339 G340 H363P114-E188 HydrophobicContact CG-CB 3.84Å; P114-E188 HydrophobicContact CG-CG 4.17Å; L118-E188 HydrophobicContact CD2-CG 3.75Å; E188-D190 VanDerWaalsContact C-N 3.29Å; E188-D190 PolarHBondContact O-N 2.65Å; E188-E191 WeakPolarHBondContact O-CB 3.28Å; E188-E191 PolarHBondContact O-N 2.59Å; E188-M192 WeakPolarHBondContact O-CG 3.22Å; E188-M192 PolarHBondContact O-N 2.92Å; E188-M192 VanDerWaalsContact O-N 3.09Å; E188-I217 WeakPolarHBondContact CA-O 3.35Å; E188-I217 PolarHBondContact N-O 3.27Å; E188-R339 HydrophobicContact CG-CB 4.13Å; E188-G340 WeakPolarHBondContact OE1-CA 3.34Å; E188-G340 PolarHBondContact OE1-N 3.09Å; E188-H363 IonicContact OE2-CE1 3.15Å; E188-H363 PolarHBondContact OE2-CE1 2.91Å; E188-H363 IonicContact OE2-ND1 3.1Å
189A92Very high90.6Very high0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-55.5-33.7-169.500000115.1L186 M192 L193 L216 I217 L221L186-A189 HydrophobicContact CB-CB 4.42Å; A189-M192 PolarHBondContact O-N 2.82Å; A189-L193 VanDerWaalsContact O-CB 3.22Å; A189-L193 WeakPolarHBondContact O-CB 3.4Å; A189-L193 WeakPolarHBondContact O-CG 3.41Å; A189-L193 PolarHBondContact O-N 3.18Å; A189-L216 HydrophobicContact CB-CB 3.96Å; A189-L216 HydrophobicContact CB-CD2 4.29Å; A189-L216 HydrophobicContact CB-CG 3.91Å; A189-I217 PolarHBondContact N-O 3.32Å; A189-L221 HydrophobicContact CB-CD2 4.41Å
190D88.3Confident90.2Very high3 Ų341.2 Ų41.22%0.01621%0.205CC..Hα-helixtrans-62.4-42.617558.5-42000112.3E188 N194 S218 T220 I225 R339 H363E188-D190 VanDerWaalsContact C-N 3.29Å; E188-D190 PolarHBondContact O-N 2.65Å; D190-N194 PolarHBondContact O-N 2.95Å; D190-N194 VanDerWaalsContact O-N 3.15Å; D190-N194 PolarHBondContact O-ND2 2.93Å; D190-S218 PolarHBondContact OD1-OG 3.33Å; D190-T220 VanDerWaalsContact CB-O 3.25Å; D190-T220 WeakPolarHBondContact CB-O 3.3Å; D190-T220 VanDerWaalsContact CG-O 3.31Å; D190-T220 VanDerWaalsContact CG-OG1 3.3Å; D190-T220 PolarHBondContact OD2-OG1 3.01Å; D190-I225 HydrophobicContact CB-CG1 4.39Å; D190-R339 IonicContact OD2-NH2 2.81Å; D190-H363 IonicContact OD2-NE2 2.66Å; D190-H363 PolarHBondContact OD2-NE2 3.47Å
191E87.7Confident89.9Confident49 Ų4940.3 Ų40.323%0.22920%0.196CC..Hα-helixtrans-68.7-41.4175.1-17660.9175.200111.7P114 E188 L193 N194 F197 R339P114-E191 HydrophobicContact CB-CB 4.43Å; P114-E191 HydrophobicContact CB-CG 3.8Å; P114-E191 HydrophobicContact CG-CG 4.33Å; E188-E191 WeakPolarHBondContact O-CB 3.28Å; E188-E191 PolarHBondContact O-N 2.59Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 3.35Å; E191-N194 WeakPolarHBondContact O-CB 3.48Å; E191-N194 PolarHBondContact O-N 3.09Å; E191-F197 HydrophobicContact CG-CD2 4.5Å; E191-F197 HydrophobicContact CG-CE2 4.42Å; E191-R339 VanDerWaalsContact CG-NH1 3.32Å; E191-R339 IonicContact OE1-NH1 3.14Å; E191-R339 PolarHBondContact OE1-NH1 2.76Å; E191-R339 IonicContact OE2-CZ 3.79Å; E191-R339 IonicContact OE2-NH1 3.47Å; E191-R339 PolarHBondContact OE2-NH1 3.46Å; E191-R339 IonicContact OE2-NH2 3.82Å; E191-R339 PolarHBondContact OE2-NH2 2.91Å
192M88.8Confident89.6Confident0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-64.5-33.7-179.6-70.1-62.3-77.100111.5L112 A113 P114 P164 D187 E188 A189 F197 K198 I201L112-M192 HydrophobicContact CB-CE 3.47Å; L112-M192 VanDerWaalsContact CB-CE 3.47Å; A113-M192 VanDerWaalsContact C-SD 3.55Å; P114-M192 WeakPolarHBondContact CA-SD 3.33Å; P114-M192 HydrophobicContact CB-SD 3.82Å; P114-M192 HydrophobicContact CG-SD 4.37Å; P164-M192 HydrophobicContact CG-CE 3.35Å; P164-M192 HydrophobicContact CG-SD 4.27Å; D187-M192 VanDerWaalsContact O-CG 3.31Å; D187-M192 WeakPolarHBondContact O-CG 3.41Å; E188-M192 WeakPolarHBondContact O-CG 3.22Å; E188-M192 PolarHBondContact O-N 2.92Å; E188-M192 VanDerWaalsContact O-N 3.09Å; A189-M192 PolarHBondContact O-N 2.82Å; M192-F197 CarbonylContact O-C 3.58Å; M192-F197 WeakPolarHBondContact O-CB 3.02Å; M192-F197 HydrophobicContact SD-CG 4.45Å; M192-K198 PolarHBondContact O-N 3.03Å; M192-I201 VanDerWaalsContact C-CD1 3.49Å; M192-I201 HydrophobicContact CB-CD1 3.55Å; M192-I201 HydrophobicContact CE-CD1 3.82Å; M192-I201 HydrophobicContact CE-CG1 4.13Å; M192-I201 WeakPolarHBondContact O-CD1 2.97Å
193L87Confident89.4Confident6 Ų645.5 Ų45.53%0.03122%0.219CC..Hα-helixtrans-93.8-2.7-178.2-66.2171.1000113.8L186 A189 E191 I201 L216 I225 M228 F232L186-L193 HydrophobicContact CD1-CD2 4.45Å; A189-L193 VanDerWaalsContact O-CB 3.22Å; A189-L193 WeakPolarHBondContact O-CB 3.4Å; A189-L193 WeakPolarHBondContact O-CG 3.41Å; A189-L193 PolarHBondContact O-N 3.18Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 3.35Å; L193-I201 HydrophobicContact CD2-CD1 4.42Å; L193-L216 HydrophobicContact CD1-CD2 3.82Å; L193-I225 HydrophobicContact CB-CD1 3.88Å; L193-I225 HydrophobicContact CB-CG2 4.16Å; L193-I225 HydrophobicContact CD1-CG2 3.6Å; L193-M228 HydrophobicContact CB-CE 3.93Å; L193-M228 HydrophobicContact CD2-CE 4.05Å; L193-M228 HydrophobicContact CG-CE 4.48Å; L193-F232 HydrophobicContact CD1-CZ 4.01Å; L193-F232 HydrophobicContact CD2-CE1 4.15Å; L193-F232 HydrophobicContact CD2-CZ 3.84Å
194N82.5Confident89.2Confident56 Ų5645.4 Ų45.430%0.29922%0.218SC..SBendtrans-69.5167.2171.6-89.6-23.6000113.4D190 E191 G196 F197 K198D190-N194 PolarHBondContact O-N 2.95Å; D190-N194 VanDerWaalsContact O-N 3.15Å; D190-N194 PolarHBondContact O-ND2 2.93Å; E191-N194 WeakPolarHBondContact O-CB 3.48Å; E191-N194 PolarHBondContact O-N 3.09Å; N194-G196 PolarHBondContact O-N 2.79Å; N194-G196 VanDerWaalsContact O-N 3.12Å; N194-F197 PolarHBondContact O-N 2.83Å; N194-K198 PolarHBondContact O-N 2.86Å
195K68.2Low89Confident219 Ų21948.8 Ų48.895%0.95223%0.231SC*.THydrogen-bonded Turntrans-58.8115178.9-169.8177.5-178.4179.80110.4
196G79Confident88.8Confident46 Ų4656.5 Ų56.547%0.47426%0.26SS..THydrogen-bonded Turntrans126.4-49.3179.400000113.2N194N194-G196 PolarHBondContact O-N 2.79Å; N194-G196 VanDerWaalsContact O-N 3.12Å
197F83.3Confident88.8Confident53 Ų5361.7 Ų61.723%0.23228%0.281CS..Hα-helixtrans-88.2-30177.6-76.1-64.7000113.1P114 P164 E191 M192 N194 E199 Q200 I201P114-F197 HydrophobicContact CB-CE2 4.3Å; P114-F197 HydrophobicContact CB-CZ 4.46Å; P164-F197 HydrophobicContact CB-CD1 4.48Å; P164-F197 HydrophobicContact CG-CD1 3.96Å; P164-F197 HydrophobicContact CG-CE1 4.41Å; E191-F197 HydrophobicContact CG-CD2 4.5Å; E191-F197 HydrophobicContact CG-CE2 4.42Å; M192-F197 CarbonylContact O-C 3.58Å; M192-F197 WeakPolarHBondContact O-CB 3.02Å; M192-F197 HydrophobicContact SD-CG 4.45Å; N194-F197 PolarHBondContact O-N 2.83Å; F197-E199 VanDerWaalsContact C-N 3.31Å; F197-E199 PolarHBondContact O-N 3.14Å; F197-Q200 WeakPolarHBondContact O-CA 3.46Å; F197-Q200 WeakPolarHBondContact O-CB 3.32Å; F197-Q200 PolarHBondContact O-N 2.84Å; F197-I201 HydrophobicContact CB-CD1 4.49Å; F197-I201 WeakPolarHBondContact O-CG1 3.18Å; F197-I201 PolarHBondContact O-N 2.98Å
198K86.9Confident88.9Confident87 Ų8762.5 Ų62.538%0.37829%0.285SS..Hα-helixtrans-48.4-47.8-179.7-178.6-179.4179.9168.30114M192 N194 I201 Y202 M228M192-K198 PolarHBondContact O-N 3.03Å; N194-K198 PolarHBondContact O-N 2.86Å; K198-I201 PolarHBondContact O-N 3.06Å; K198-Y202 WeakPolarHBondContact O-CB 3.21Å; K198-Y202 PolarHBondContact O-N 2.93Å; K198-M228 HydrophobicContact CD-CE 3.58Å; K198-M228 HydrophobicContact CD-SD 4.15Å; K198-M228 VanDerWaalsContact CE-CE 3.4Å; K198-M228 HydrophobicContact CG-CE 4.01Å; K198-M228 PolarHBondContact NZ-SD 3.26Å
199E89Confident89.2Confident151 Ų15164 Ų6471%0.70630%0.295SS*.Hα-helixtrans-64-42.4179-68.5-179.6-179.100111.4F197 I201 Y202 D203F197-E199 VanDerWaalsContact C-N 3.31Å; F197-E199 PolarHBondContact O-N 3.14Å; E199-I201 PolarHBondContact O-N 2.8Å; E199-Y202 PolarHBondContact O-N 2.97Å; E199-D203 WeakPolarHBondContact O-CB 3.38Å; E199-D203 PolarHBondContact O-N 2.95Å
200Q89.7Confident89.3Confident71 Ų7170.5 Ų70.533%0.33234%0.337SS..Hα-helixtrans-65.9-37.4178.6-58.9-178.119.500112.1P164 F197 D203 V204P164-Q200 HydrophobicContact CB-CB 3.72Å; F197-Q200 WeakPolarHBondContact O-CA 3.46Å; F197-Q200 WeakPolarHBondContact O-CB 3.32Å; F197-Q200 PolarHBondContact O-N 2.84Å; Q200-D203 WeakPolarHBondContact O-CB 3.22Å; Q200-D203 PolarHBondContact O-N 3.08Å; Q200-V204 WeakPolarHBondContact O-CG2 3.35Å; Q200-V204 PolarHBondContact O-N 3.24Å
201I91.9Very high89.7Confident9 Ų974.9 Ų74.95%0.04637%0.374CS..Hα-helixtrans-68.2-44.1176.3-65.4172.2000110.4L112 P164 L186 M192 L193 F197 K198 E199 D203 V204 Y205L112-I201 HydrophobicContact CD1-CG1 4.32Å; P164-I201 HydrophobicContact CG-CG1 4.34Å; L186-I201 HydrophobicContact CD1-CG2 4.16Å; L186-I201 HydrophobicContact CD2-CG2 4.15Å; M192-I201 VanDerWaalsContact C-CD1 3.49Å; M192-I201 HydrophobicContact CB-CD1 3.55Å; M192-I201 HydrophobicContact CE-CD1 3.82Å; M192-I201 HydrophobicContact CE-CG1 4.13Å; M192-I201 WeakPolarHBondContact O-CD1 2.97Å; L193-I201 HydrophobicContact CD2-CD1 4.42Å; F197-I201 HydrophobicContact CB-CD1 4.49Å; F197-I201 WeakPolarHBondContact O-CG1 3.18Å; F197-I201 PolarHBondContact O-N 2.98Å; K198-I201 PolarHBondContact O-N 3.06Å; E199-I201 PolarHBondContact O-N 2.8Å; I201-D203 VanDerWaalsContact C-N 3.27Å; I201-D203 PolarHBondContact O-N 3.02Å; I201-V204 PolarHBondContact O-N 2.83Å; I201-Y205 WeakPolarHBondContact O-CB 3.44Å; I201-Y205 PolarHBondContact O-N 2.82Å
202Y91.9Very high90.1Very high142 Ų14273 Ų7356%0.55737%0.366SS*.Hα-helixtrans-59.2-42.8175.3-179.8-109.5000111.3K198 E199 V204 Y205 R206K198-Y202 WeakPolarHBondContact O-CB 3.21Å; K198-Y202 PolarHBondContact O-N 2.93Å; E199-Y202 PolarHBondContact O-N 2.97Å; Y202-V204 VanDerWaalsContact C-N 3.35Å; Y202-V204 PolarHBondContact O-N 2.71Å; Y202-Y205 PolarHBondContact O-N 2.96Å; Y202-R206 VanDerWaalsContact CE1-CD 3.5Å; Y202-R206 HydrophobicContact CE1-CG 4.26Å; Y202-R206 HydrophobicContact CE2-CG 4.3Å; Y202-R206 VanDerWaalsContact O-CG 3.32Å; Y202-R206 WeakPolarHBondContact O-CG 2.99Å; Y202-R206 PolarHBondContact O-N 3.07Å; Y202-R206 VanDerWaalsContact O-N 3.1Å
203D92.8Very high90.6Very high52 Ų5274 Ų7428%0.27837%0.37SS..Hα-helixtrans-60.2-40.2175.1-88.7-14.3000112.8F168 E199 Q200 I201 Y207F168-D203 HydrophobicContact CD2-CB 3.96Å; F168-D203 HydrophobicContact CE1-CB 4.12Å; F168-D203 HydrophobicContact CE2-CB 3.55Å; F168-D203 HydrophobicContact CG-CB 4.41Å; F168-D203 HydrophobicContact CZ-CB 3.59Å; E199-D203 WeakPolarHBondContact O-CB 3.38Å; E199-D203 PolarHBondContact O-N 2.95Å; Q200-D203 WeakPolarHBondContact O-CB 3.22Å; Q200-D203 PolarHBondContact O-N 3.08Å; I201-D203 VanDerWaalsContact C-N 3.27Å; I201-D203 PolarHBondContact O-N 3.02Å; D203-Y207 VanDerWaalsContact O-CD2 3.23Å; D203-Y207 WeakPolarHBondContact O-CD2 3.03Å
204V95.5Very high91.1Very high0 Ų073.7 Ų73.70%037%0.369CS..Hα-helixtrans-67.5-48.1172.7170.90000111.4L110 L112 V167 F168 I171 Q200 I201 Y202 R206 Y207L110-V204 HydrophobicContact CD2-CG1 3.58Å; L112-V204 HydrophobicContact CD1-CB 4.49Å; L112-V204 HydrophobicContact CD1-CG1 4.24Å; V167-V204 HydrophobicContact CG1-CG1 4.23Å; V167-V204 HydrophobicContact CG1-CG2 4.16Å; F168-V204 HydrophobicContact CB-CG2 3.84Å; F168-V204 HydrophobicContact CD2-CG2 4.34Å; I171-V204 HydrophobicContact CD1-CG1 3.98Å; Q200-V204 WeakPolarHBondContact O-CG2 3.35Å; Q200-V204 PolarHBondContact O-N 3.24Å; I201-V204 PolarHBondContact O-N 2.83Å; Y202-V204 VanDerWaalsContact C-N 3.35Å; Y202-V204 PolarHBondContact O-N 2.71Å; V204-R206 VanDerWaalsContact C-N 3.26Å; V204-R206 PolarHBondContact O-N 2.85Å; V204-Y207 PolarHBondContact O-N 3.44Å
205Y94.1Very high91.8Very high72 Ų7271 Ų7128%0.28236%0.355SS..Hα-helixtrans-55.3-39.6-176.3-179.3-97.4000112.3L184 I201 Y202 Y207 L208 V214 F232L184-Y205 HydrophobicContact CD2-CD2 3.93Å; I201-Y205 WeakPolarHBondContact O-CB 3.44Å; I201-Y205 PolarHBondContact O-N 2.82Å; Y202-Y205 PolarHBondContact O-N 2.96Å; Y205-Y207 PolarHBondContact O-N 3.43Å; Y205-Y207 VanDerWaalsContact O-N 3.11Å; Y205-L208 WeakPolarHBondContact O-CB 3.23Å; Y205-L208 PolarHBondContact O-N 3.05Å; Y205-V214 HydrophobicContact CE2-CG2 3.96Å; Y205-F232 HydrophobicContact CE1-CB 4.23Å; Y205-F232 HydrophobicContact CE2-CB 4.18Å; Y205-F232 PolarHBondContact OH-O 3.3Å
206R94.3Very high93.2Very high162 Ų16260.6 Ų60.661%0.61131%0.31SS*.THydrogen-bonded Turntrans-61.6-18.7178.9-72.8175.470-166.63.2115.4Y202 V204Y202-R206 VanDerWaalsContact CE1-CD 3.5Å; Y202-R206 HydrophobicContact CE1-CG 4.26Å; Y202-R206 HydrophobicContact CE2-CG 4.3Å; Y202-R206 VanDerWaalsContact O-CG 3.32Å; Y202-R206 WeakPolarHBondContact O-CG 2.99Å; Y202-R206 PolarHBondContact O-N 3.07Å; Y202-R206 VanDerWaalsContact O-N 3.1Å; V204-R206 VanDerWaalsContact C-N 3.26Å; V204-R206 PolarHBondContact O-N 2.85Å
207Y96.8Very high93.9Very high110 Ų11058.5 Ų58.543%0.43129%0.287SS..THydrogen-bonded Turntrans-97.1-3.2177.4-75.2-95.2000113.1F168 I171 T178 D203 V204 Y205F168-Y207 HydrophobicContact CE2-CD2 4.35Å; F168-Y207 AromaticContact CE2-CE2 3.87Å; F168-Y207 HydrophobicContact CE2-CE2 3.87Å; I171-Y207 HydrophobicContact CG2-CD1 3.56Å; I171-Y207 HydrophobicContact CG2-CD2 4.03Å; I171-Y207 HydrophobicContact CG2-CE1 4.25Å; I171-Y207 HydrophobicContact CG2-CG 3.43Å; I171-Y207 VanDerWaalsContact CG2-CG 3.43Å; T178-Y207 WeakPolarHBondContact CB-O 3.49Å; T178-Y207 PolarHBondContact OG1-O 2.89Å; D203-Y207 VanDerWaalsContact O-CD2 3.23Å; D203-Y207 WeakPolarHBondContact O-CD2 3.03Å; V204-Y207 PolarHBondContact O-N 3.44Å; Y205-Y207 PolarHBondContact O-N 3.43Å; Y205-Y207 VanDerWaalsContact O-N 3.11Å
208L97Very high94.3Very high18 Ų1856 Ų569%0.09428%0.276CS..SBendtrans-85.3156.2178.8-54.1-174.7000110.9L110 T178 I181 L184 Y205 T212L110-L208 HydrophobicContact CD2-CD2 4.12Å; T178-L208 HydrophobicContact CG2-CD2 3.99Å; I181-L208 HydrophobicContact CB-CD2 4.42Å; I181-L208 HydrophobicContact CD1-CD2 3.72Å; I181-L208 HydrophobicContact CG2-CD2 4.17Å; L184-L208 HydrophobicContact CB-CD1 3.96Å; L184-L208 HydrophobicContact CD1-CD1 4.18Å; L184-L208 HydrophobicContact CD2-CD1 3.87Å; L184-L208 HydrophobicContact CG-CD1 4.22Å; Y205-L208 WeakPolarHBondContact O-CB 3.23Å; Y205-L208 PolarHBondContact O-N 3.05Å; L208-T212 HydrophobicContact CD1-CG2 4.12Å
209P97.4Very high94.3Very high37 Ų3751.9 Ų51.924%0.2426%0.259CS..  trans-54.8148.6171.5-28.537.7000113T178 I181 A211 T212T178-P209 VanDerWaalsContact O-CD 3.28Å; T178-P209 WeakPolarHBondContact O-CD 3.48Å; T178-P209 WeakPolarHBondContact O-CG 3.28Å; I181-P209 WeakPolarHBondContact O-CD 3.47Å; I181-P209 WeakPolarHBondContact O-CG 3.32Å; P209-A211 PolarHBondContact O-N 3.26Å; P209-A211 VanDerWaalsContact O-N 3.16Å; P209-T212 WeakPolarHBondContact CD-OG1 3.37Å; P209-T212 WeakPolarHBondContact O-CB 3.37Å; P209-T212 PolarHBondContact O-N 3.12Å; P209-T212 VanDerWaalsContact O-N 3.14Å; P209-T212 PolarHBondContact O-OG1 2.89Å
210P94.3Very high94.2Very high138 Ų13844.9 Ų44.990%0.89623%0.226SC*.THydrogen-bonded Turntrans-66.4-20.6-173.825.9-35.6000114.5
211A94.9Very high94.1Very high95 Ų9542.3 Ų42.379%0.78522%0.215SC*.THydrogen-bonded Turntrans-103.620.9179.100000112.5P209 Q213P209-A211 PolarHBondContact O-N 3.26Å; P209-A211 VanDerWaalsContact O-N 3.16Å; A211-Q213 PolarHBondContact O-N 2.69Å
212T97.8Very high93.8Very high10 Ų1042.8 Ų42.86%0.06122%0.218CC..  trans-65.1119.4175.7-65.40000110I181 L184 L208 P209I181-T212 HydrophobicContact CG2-CG2 4.21Å; I181-T212 PolarHBondContact O-OG1 2.93Å; I181-T212 VanDerWaalsContact O-OG1 3.08Å; L184-T212 HydrophobicContact CB-CG2 3.82Å; L208-T212 HydrophobicContact CD1-CG2 4.12Å; P209-T212 WeakPolarHBondContact CD-OG1 3.37Å; P209-T212 WeakPolarHBondContact O-CB 3.37Å; P209-T212 PolarHBondContact O-N 3.12Å; P209-T212 VanDerWaalsContact O-N 3.14Å; P209-T212 PolarHBondContact O-OG1 2.89Å
213Q98.3Very high93.5Very high19 Ų1938.3 Ų38.39%0.08920%0.202CC..EExtended strand (participates in β ladder)trans-61.9136170.9-179.2-171.77.600110I72 R76 D77 K182 M183 L184 A211 V215I72-Q213 PolarHBondContact O-NE2 3.2Å; R76-Q213 WeakPolarHBondContact O-CG 3.37Å; R76-Q213 PolarHBondContact O-NE2 2.91Å; D77-Q213 WeakPolarHBondContact OD1-CA 3.03Å; K182-Q213 WeakPolarHBondContact O-CB 3.31Å; K182-Q213 PolarHBondContact O-N 3.32Å; M183-Q213 CarbonylContact C-O 3.54Å; M183-Q213 WeakPolarHBondContact CA-O 3.36Å; L184-Q213 PolarHBondContact N-O 3.45Å; A211-Q213 PolarHBondContact O-N 2.69Å; Q213-V215 HydrophobicContact CG-CG2 4.37Å
214V97.6Very high93.1Very high1 Ų141.5 Ų41.51%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-112.4128.5179.4-175.60000110.3D77 V78 L184 Y205 L216 F232 M233D77-V214 VanDerWaalsContact CA-O 3.25Å; D77-V214 WeakPolarHBondContact CA-O 3.42Å; D77-V214 PolarHBondContact OD1-N 3.4Å; V78-V214 PolarHBondContact N-O 3.08Å; L184-V214 CarbonylContact O-C 3.59Å; L184-V214 WeakPolarHBondContact O-CA 3.43Å; Y205-V214 HydrophobicContact CE2-CG2 3.96Å; V214-L216 HydrophobicContact CG1-CD1 3.42Å; V214-L216 VanDerWaalsContact CG1-CD1 3.42Å; V214-F232 HydrophobicContact CG1-CD2 3.99Å; V214-F232 HydrophobicContact CG1-CE2 4Å; V214-M233 HydrophobicContact CB-CE 4.26Å; V214-M233 HydrophobicContact CB-CG 4.06Å; V214-M233 HydrophobicContact CG1-CE 4.18Å; V214-M233 HydrophobicContact CG1-CG 3.94Å; V214-M233 HydrophobicContact CG1-SD 4.29Å; V214-M233 VanDerWaalsContact O-CE 3.23Å; V214-M233 WeakPolarHBondContact O-CE 3.4Å
215V98Very high92.6Very high0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-123.9119.3179-178.60000109.3I72 V78 M183 L184 V185 L186 Q213 I217I72-V215 HydrophobicContact CD1-CG1 3.86Å; I72-V215 HydrophobicContact CG1-CG1 4.14Å; I72-V215 HydrophobicContact CG1-CG2 4.27Å; I72-V215 HydrophobicContact CG2-CG2 3.94Å; V78-V215 HydrophobicContact CB-CG1 4.38Å; V78-V215 CarbonylContact O-C 3.41Å; V78-V215 WeakPolarHBondContact O-CA 3.39Å; M183-V215 HydrophobicContact CG-CG2 4.26Å; M183-V215 HydrophobicContact SD-CG2 4.4Å; L184-V215 PolarHBondContact O-N 3.42Å; V185-V215 CarbonylContact C-O 3.59Å; V185-V215 VanDerWaalsContact CA-O 3.3Å; V185-V215 WeakPolarHBondContact CA-O 3.46Å; V185-V215 HydrophobicContact CG1-CB 4.36Å; V185-V215 HydrophobicContact CG1-CG1 4.37Å; V185-V215 HydrophobicContact CG2-CB 4.17Å; L186-V215 PolarHBondContact N-O 2.99Å; Q213-V215 HydrophobicContact CG-CG2 4.37Å; V215-I217 HydrophobicContact CG1-CD1 3.88Å; V215-I217 HydrophobicContact CG1-CG1 3.99Å
216L96.2Very high92.2Very high0 Ų038.8 Ų38.80%021%0.206CC..EExtended strand (participates in β ladder)trans-106.9131.2177.5-85.659.5000109.6V78 I79 A80 L186 A189 L193 V214 T229 F232 M233V78-L216 PolarHBondContact O-N 2.97Å; I79-L216 HydrophobicContact CG1-CB 4.4Å; A80-L216 PolarHBondContact N-O 3.41Å; L186-L216 HydrophobicContact CB-CD1 4.48Å; L186-L216 HydrophobicContact CB-CG 4.39Å; L186-L216 HydrophobicContact CD1-CD1 4Å; L186-L216 HydrophobicContact CD1-CG 4.25Å; L186-L216 HydrophobicContact CG-CD1 4.34Å; A189-L216 HydrophobicContact CB-CB 3.96Å; A189-L216 HydrophobicContact CB-CD2 4.29Å; A189-L216 HydrophobicContact CB-CG 3.91Å; L193-L216 HydrophobicContact CD1-CD2 3.82Å; V214-L216 HydrophobicContact CG1-CD1 3.42Å; V214-L216 VanDerWaalsContact CG1-CD1 3.42Å; L216-T229 HydrophobicContact CD2-CG2 3.45Å; L216-T229 VanDerWaalsContact CD2-CG2 3.45Å; L216-F232 HydrophobicContact CD1-CE2 4.04Å; L216-F232 HydrophobicContact CD2-CE2 4.41Å; L216-F232 HydrophobicContact CD2-CZ 4.27Å; L216-M233 HydrophobicContact CD1-CE 3.85Å; L216-M233 HydrophobicContact CD1-SD 3.53Å; L216-M233 VanDerWaalsContact CD1-SD 3.53Å; L216-M233 HydrophobicContact CD2-SD 3.84Å; L216-M233 HydrophobicContact CG-SD 4.22Å
217I94.8Very high91.7Very high2 Ų233.5 Ų33.51%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-131.8125.4-177.6-55.8-69.4000108.1A80 K88 F92 V185 L186 E188 A189 V215A80-I217 HydrophobicContact CB-CD1 3.53Å; A80-I217 WeakPolarHBondContact O-CA 3.49Å; K88-I217 HydrophobicContact CB-CG2 3.72Å; K88-I217 HydrophobicContact CD-CG2 3.82Å; K88-I217 HydrophobicContact CG-CG2 4.16Å; F92-I217 HydrophobicContact CB-CG1 4.47Å; F92-I217 HydrophobicContact CD1-CB 4.31Å; F92-I217 HydrophobicContact CD1-CG1 3.79Å; F92-I217 HydrophobicContact CD1-CG2 4.23Å; F92-I217 HydrophobicContact CE1-CG1 4.46Å; F92-I217 HydrophobicContact CE1-CG2 4.36Å; V185-I217 HydrophobicContact CG1-CG1 4.36Å; L186-I217 PolarHBondContact O-N 2.89Å; E188-I217 WeakPolarHBondContact CA-O 3.35Å; E188-I217 PolarHBondContact N-O 3.27Å; A189-I217 PolarHBondContact N-O 3.32Å; V215-I217 HydrophobicContact CG1-CD1 3.88Å; V215-I217 HydrophobicContact CG1-CG1 3.99Å
218S92.3Very high91.1Very high0 Ų029.7 Ų29.70%018%0.175CC..EExtended strand (participates in β ladder)trans-154.2163.7170.4-171.70000112.3A80 Q81 S82 K88 D190 T220A80-S218 PolarHBondContact O-N 3.01Å; Q81-S218 WeakPolarHBondContact CA-O 3.46Å; S82-S218 PolarHBondContact N-O 3.12Å; K88-S218 WeakPolarHBondContact CD-O 3.31Å; D190-S218 PolarHBondContact OD1-OG 3.33Å; S218-T220 VanDerWaalsContact CB-O 3.27Å; S218-T220 WeakPolarHBondContact CB-O 3.3Å; S218-T220 PolarHBondContact OG-N 3.46Å; S218-T220 VanDerWaalsContact OG-N 3.1Å; S218-T220 PolarHBondContact OG-O 3.21Å
219A86.9Confident90.6Very high1 Ų128.9 Ų28.91%0.00817%0.171CC..SBendtrans-73.7-35.1162.100000112.3Q81 S82 L246Q81-A219 WeakPolarHBondContact CG-O 3.47Å; Q81-A219 PolarHBondContact NE2-O 3.36Å; Q81-A219 VanDerWaalsContact NE2-O 3.08Å; S82-A219 VanDerWaalsContact O-CA 3.26Å; S82-A219 WeakPolarHBondContact O-CA 3.38Å; A219-L246 WeakPolarHBondContact O-CD2 3.01Å
220T85.6Confident89.9Confident4 Ų430.7 Ų30.73%0.02518%0.178CC..  trans-124.7127.3-171.340.70000108.2D190 S218 E359 H363D190-T220 VanDerWaalsContact CB-O 3.25Å; D190-T220 WeakPolarHBondContact CB-O 3.3Å; D190-T220 VanDerWaalsContact CG-O 3.31Å; D190-T220 VanDerWaalsContact CG-OG1 3.3Å; D190-T220 PolarHBondContact OD2-OG1 3.01Å; S218-T220 VanDerWaalsContact CB-O 3.27Å; S218-T220 WeakPolarHBondContact CB-O 3.3Å; S218-T220 PolarHBondContact OG-N 3.46Å; S218-T220 VanDerWaalsContact OG-N 3.1Å; S218-T220 PolarHBondContact OG-O 3.21Å; T220-E359 HydrophobicContact CG2-CB 4.01Å; T220-E359 HydrophobicContact CG2-CG 4.03Å; T220-H363 PolarHBondContact OG1-NE2 3.45Å
221L87.9Confident89.5Confident16 Ų1631.6 Ų31.68%0.08417%0.168CC..  trans-128.585.2174.2-69.1174.8000108.3I79 Q81 A189 I225 L226 L240I79-L221 HydrophobicContact CG2-CD1 3.39Å; Q81-L221 HydrophobicContact CB-CD1 3.92Å; Q81-L221 HydrophobicContact CG-CD1 4.3Å; Q81-L221 HydrophobicContact CG-CG 4.42Å; A189-L221 HydrophobicContact CB-CD2 4.41Å; L221-I225 HydrophobicContact CD2-CG2 4.31Å; L221-L226 HydrophobicContact CB-CD2 4.07Å; L221-L226 HydrophobicContact CB-CG 4.26Å; L221-L226 HydrophobicContact CD1-CD2 4.11Å; L221-L240 HydrophobicContact CD1-CD2 3.97Å
222P85.2Confident89.2Confident19 Ų1928.7 Ų28.712%0.12314%0.138CC..  trans-54.1151.6171.5-23.733.8000110.9E224 I225 L226 E359P222-E224 VanDerWaalsContact C-N 3.3Å; P222-E224 HydrophobicContact CB-CG 3.98Å; P222-E224 PolarHBondContact O-N 2.98Å; P222-I225 HydrophobicContact CB-CG1 4.18Å; P222-I225 HydrophobicContact CG-CG1 4.18Å; P222-I225 WeakPolarHBondContact O-CB 3.33Å; P222-I225 PolarHBondContact O-N 3.33Å; P222-L226 PolarHBondContact O-N 3.35Å; P222-L226 VanDerWaalsContact O-N 3.17Å; P222-E359 HydrophobicContact CG-CG 4.05Å
223H85.6Confident88.9Confident48 Ų4828.6 Ų28.622%0.22214%0.137CC..Hα-helixtrans-58-42.7-175.7-174.7-77.6000112M23 V26 F28 I225 L226 E227M23-H223 PolarHBondContact O-CE1 3.43Å; M23-H223 PolarHBondContact O-NE2 3.06Å; V26-H223 PolarHBondContact O-NE2 3.44Å; F28-H223 AromaticContact CD2-CD2 3.86Å; F28-H223 AromaticContact CD2-NE2 3.89Å; F28-H223 AromaticContact CE2-CD2 3.81Å; F28-H223 AromaticContact CE2-CE1 3.99Å; F28-H223 AromaticContact CE2-NE2 3.49Å; F28-H223 WeakPolarHBondContact CE2-NE2 3.33Å; H223-I225 PolarHBondContact O-N 3.5Å; H223-L226 WeakPolarHBondContact O-CA 3.46Å; H223-L226 WeakPolarHBondContact O-CB 3.48Å; H223-L226 PolarHBondContact O-N 3.31Å; H223-E227 IonicContact CE1-OE1 3.13Å; H223-E227 PolarHBondContact CE1-OE1 3.28Å; H223-E227 IonicContact ND1-OE1 2.83Å; H223-E227 PolarHBondContact ND1-OE1 3.28Å; H223-E227 WeakPolarHBondContact O-CG 3.14Å; H223-E227 PolarHBondContact O-N 3.39Å
224E84.5Confident88.6Confident120 Ų12033.2 Ų33.256%0.56117%0.166SC*.Hα-helixtrans-56.5-33174.156.7-179.4164.200114.1P222 M228P222-E224 VanDerWaalsContact C-N 3.3Å; P222-E224 HydrophobicContact CB-CG 3.98Å; P222-E224 PolarHBondContact O-N 2.98Å; E224-M228 WeakPolarHBondContact O-CG 3.24Å; E224-M228 PolarHBondContact O-N 3.49Å
225I85.8Confident88.4Confident3 Ų338.3 Ų38.32%0.01519%0.194CC..Hα-helixtrans-73.3-42.4176.4-58.7-54.3000109.9D190 L193 L221 P222 H223 E227 M228 T229D190-I225 HydrophobicContact CB-CG1 4.39Å; L193-I225 HydrophobicContact CB-CD1 3.88Å; L193-I225 HydrophobicContact CB-CG2 4.16Å; L193-I225 HydrophobicContact CD1-CG2 3.6Å; L221-I225 HydrophobicContact CD2-CG2 4.31Å; P222-I225 HydrophobicContact CB-CG1 4.18Å; P222-I225 HydrophobicContact CG-CG1 4.18Å; P222-I225 WeakPolarHBondContact O-CB 3.33Å; P222-I225 PolarHBondContact O-N 3.33Å; H223-I225 PolarHBondContact O-N 3.5Å; I225-E227 VanDerWaalsContact C-N 3.3Å; I225-E227 PolarHBondContact O-N 3.04Å; I225-M228 WeakPolarHBondContact O-CB 3.26Å; I225-M228 PolarHBondContact O-N 2.86Å; I225-T229 WeakPolarHBondContact O-CG2 3.34Å; I225-T229 PolarHBondContact O-N 3.18Å
226L86Confident88.3Confident11 Ų1138.5 Ų38.56%0.05820%0.195CC..Hα-helixtrans-60.1-40.9174.6-66.1174.6000111.1F28 I79 L221 P222 H223 M228 T229 L240F28-L226 HydrophobicContact CB-CD1 3.89Å; F28-L226 HydrophobicContact CD2-CB 3.94Å; F28-L226 HydrophobicContact CD2-CD1 3.59Å; F28-L226 HydrophobicContact CD2-CG 4.4Å; F28-L226 HydrophobicContact CE1-CB 4.42Å; F28-L226 HydrophobicContact CE2-CB 3.72Å; F28-L226 HydrophobicContact CE2-CD1 4.24Å; F28-L226 HydrophobicContact CG-CB 4.37Å; F28-L226 HydrophobicContact CG-CD1 3.8Å; F28-L226 HydrophobicContact CZ-CB 3.98Å; I79-L226 HydrophobicContact CG2-CD2 3.98Å; L221-L226 HydrophobicContact CB-CD2 4.07Å; L221-L226 HydrophobicContact CB-CG 4.26Å; L221-L226 HydrophobicContact CD1-CD2 4.11Å; P222-L226 PolarHBondContact O-N 3.35Å; P222-L226 VanDerWaalsContact O-N 3.17Å; H223-L226 WeakPolarHBondContact O-CA 3.46Å; H223-L226 WeakPolarHBondContact O-CB 3.48Å; H223-L226 PolarHBondContact O-N 3.31Å; L226-M228 VanDerWaalsContact C-N 3.29Å; L226-M228 PolarHBondContact O-N 2.7Å; L226-T229 WeakPolarHBondContact O-CB 3.35Å; L226-T229 PolarHBondContact O-N 3.26Å; L226-T229 PolarHBondContact O-OG1 3.23Å; L226-L240 HydrophobicContact CD2-CD2 4.37Å
227E83.5Confident88.3Confident51 Ų5138.5 Ų38.524%0.23820%0.195CC..Hα-helixtrans-61.8-38.8176.5-65.4-175.7153.100112.9M23 T24 H223 I225 T229M23-E227 HydrophobicContact CB-CG 3.97Å; M23-E227 VanDerWaalsContact CE-CA 3.41Å; M23-E227 HydrophobicContact CE-CB 3.85Å; M23-E227 HydrophobicContact CE-CG 4.01Å; T24-E227 WeakPolarHBondContact CA-OE1 3.32Å; T24-E227 PolarHBondContact N-OE1 3.4Å; H223-E227 IonicContact CE1-OE1 3.13Å; H223-E227 PolarHBondContact CE1-OE1 3.28Å; H223-E227 IonicContact ND1-OE1 2.83Å; H223-E227 PolarHBondContact ND1-OE1 3.28Å; H223-E227 WeakPolarHBondContact O-CG 3.14Å; H223-E227 PolarHBondContact O-N 3.39Å; I225-E227 VanDerWaalsContact C-N 3.3Å; I225-E227 PolarHBondContact O-N 3.04Å; E227-T229 VanDerWaalsContact C-N 3.26Å; E227-T229 PolarHBondContact O-N 2.97Å
228M83.5Confident88.4Confident31 Ų3140.8 Ų40.815%0.15320%0.203CC..Hα-helixtrans-67.5-25179.1-78.1-1742700113.6L193 K198 E224 I225 L226 N230 K231 F232L193-M228 HydrophobicContact CB-CE 3.93Å; L193-M228 HydrophobicContact CD2-CE 4.05Å; L193-M228 HydrophobicContact CG-CE 4.48Å; K198-M228 HydrophobicContact CD-CE 3.58Å; K198-M228 HydrophobicContact CD-SD 4.15Å; K198-M228 VanDerWaalsContact CE-CE 3.4Å; K198-M228 HydrophobicContact CG-CE 4.01Å; K198-M228 PolarHBondContact NZ-SD 3.26Å; E224-M228 WeakPolarHBondContact O-CG 3.24Å; E224-M228 PolarHBondContact O-N 3.49Å; I225-M228 WeakPolarHBondContact O-CB 3.26Å; I225-M228 PolarHBondContact O-N 2.86Å; L226-M228 VanDerWaalsContact C-N 3.29Å; L226-M228 PolarHBondContact O-N 2.7Å; M228-N230 PolarHBondContact O-N 2.75Å; M228-K231 WeakPolarHBondContact O-CB 3.5Å; M228-K231 PolarHBondContact O-N 3.47Å; M228-K231 VanDerWaalsContact O-N 3.08Å; M228-F232 VanDerWaalsContact O-CE1 3.26Å; M228-F232 WeakPolarHBondContact O-CE1 3.35Å
229T85.6Confident88.5Confident1 Ų141.1 Ų41.11%0.00621%0.205CC..Hα-helixtrans-59.8-33.1-177.965.80000112.8I79 L216 I225 L226 E227 K231 F232 M233I79-T229 HydrophobicContact CD1-CG2 3.71Å; I79-T229 WeakPolarHBondContact CD1-OG1 3.5Å; I79-T229 HydrophobicContact CG1-CG2 4.35Å; L216-T229 HydrophobicContact CD2-CG2 3.45Å; L216-T229 VanDerWaalsContact CD2-CG2 3.45Å; I225-T229 WeakPolarHBondContact O-CG2 3.34Å; I225-T229 PolarHBondContact O-N 3.18Å; L226-T229 WeakPolarHBondContact O-CB 3.35Å; L226-T229 PolarHBondContact O-N 3.26Å; L226-T229 PolarHBondContact O-OG1 3.23Å; E227-T229 VanDerWaalsContact C-N 3.26Å; E227-T229 PolarHBondContact O-N 2.97Å; T229-K231 PolarHBondContact O-N 2.75Å; T229-F232 PolarHBondContact O-N 3.16Å; T229-F232 VanDerWaalsContact O-N 3.14Å; T229-M233 HydrophobicContact CG2-SD 4.07Å; T229-M233 WeakPolarHBondContact O-CB 3.33Å; T229-M233 WeakPolarHBondContact O-CG 3.36Å; T229-M233 PolarHBondContact O-N 3.43Å
230N84.5Confident88.7Confident75 Ų7542.3 Ų42.340%0.40121%0.211SC..THydrogen-bonded Turntrans-61.2-14177.4-74.3-0000114.1M23 M228M23-N230 HydrophobicContact CE-CB 4.4Å; M23-N230 WeakPolarHBondContact CE-ND2 3.45Å; M23-N230 PolarHBondContact SD-ND2 3.31Å; M228-N230 PolarHBondContact O-N 2.75Å
231K84.6Confident88.7Confident157 Ų15743.3 Ų43.368%0.68322%0.217SC*.THydrogen-bonded Turntrans-81.1-18.5179.6-62.3-173178.4-174.10113.6M228 T229M228-K231 WeakPolarHBondContact O-CB 3.5Å; M228-K231 PolarHBondContact O-N 3.47Å; M228-K231 VanDerWaalsContact O-N 3.08Å; T229-K231 PolarHBondContact O-N 2.75Å
232F88.2Confident88.2Confident33 Ų3349.3 Ų49.315%0.14524%0.243CC..THydrogen-bonded Turntrans-146.12.3-174.259.3-88.3000114L186 L193 Y205 V214 L216 M228 T229L186-F232 HydrophobicContact CD1-CE2 4.29Å; L193-F232 HydrophobicContact CD1-CZ 4.01Å; L193-F232 HydrophobicContact CD2-CE1 4.15Å; L193-F232 HydrophobicContact CD2-CZ 3.84Å; Y205-F232 HydrophobicContact CE1-CB 4.23Å; Y205-F232 HydrophobicContact CE2-CB 4.18Å; Y205-F232 PolarHBondContact OH-O 3.3Å; V214-F232 HydrophobicContact CG1-CD2 3.99Å; V214-F232 HydrophobicContact CG1-CE2 4Å; L216-F232 HydrophobicContact CD1-CE2 4.04Å; L216-F232 HydrophobicContact CD2-CE2 4.41Å; L216-F232 HydrophobicContact CD2-CZ 4.27Å; M228-F232 VanDerWaalsContact O-CE1 3.26Å; M228-F232 WeakPolarHBondContact O-CE1 3.35Å; T229-F232 PolarHBondContact O-N 3.16Å; T229-F232 VanDerWaalsContact O-N 3.14Å
233M93.5Very high87.7Confident9 Ų954.3 Ų54.34%0.04426%0.259CS..  trans-116.2145.1172-54.4-176.576.400110.3D77 V78 I79 V214 L216 T229 P236D77-M233 HydrophobicContact CB-CB 4.28Å; D77-M233 HydrophobicContact CB-CE 3.77Å; D77-M233 WeakPolarHBondContact OD2-CA 3.44Å; D77-M233 WeakPolarHBondContact OD2-CB 3.48Å; V78-M233 WeakPolarHBondContact O-CE 3.48Å; I79-M233 HydrophobicContact CD1-CE 4.44Å; I79-M233 HydrophobicContact CD1-SD 4Å; I79-M233 HydrophobicContact CG1-CE 3.68Å; I79-M233 HydrophobicContact CG1-SD 3.7Å; V214-M233 HydrophobicContact CB-CE 4.26Å; V214-M233 HydrophobicContact CB-CG 4.06Å; V214-M233 HydrophobicContact CG1-CE 4.18Å; V214-M233 HydrophobicContact CG1-CG 3.94Å; V214-M233 HydrophobicContact CG1-SD 4.29Å; V214-M233 VanDerWaalsContact O-CE 3.23Å; V214-M233 WeakPolarHBondContact O-CE 3.4Å; L216-M233 HydrophobicContact CD1-CE 3.85Å; L216-M233 HydrophobicContact CD1-SD 3.53Å; L216-M233 VanDerWaalsContact CD1-SD 3.53Å; L216-M233 HydrophobicContact CD2-SD 3.84Å; L216-M233 HydrophobicContact CG-SD 4.22Å; T229-M233 HydrophobicContact CG2-SD 4.07Å; T229-M233 WeakPolarHBondContact O-CB 3.33Å; T229-M233 WeakPolarHBondContact O-CG 3.36Å; T229-M233 PolarHBondContact O-N 3.43Å; M233-P236 HydrophobicContact CB-CB 4.3Å; M233-P236 HydrophobicContact CB-CG 4.33Å; M233-P236 HydrophobicContact CE-CB 3.9Å; M233-P236 HydrophobicContact SD-CB 4.49Å
234T91.7Very high87.3Confident116 Ų11656.1 Ų56.171%0.71227%0.27SS*.SBendtrans-115.3113.4-179.9-530000110.1D77D77-T234 PolarHBondContact OD2-N 3.14Å
235D92.4Very high87Confident108 Ų10855.4 Ų55.458%0.57827%0.267SS*.SBendtrans44.663.1-179.6-172.234.4000113.1R76R76-D235 IonicContact CZ-OD2 2.99Å; R76-D235 PolarHBondContact NH2-O 3.02Å; R76-D235 IonicContact NH2-OD1 3.26Å; R76-D235 IonicContact NH2-OD2 3.77Å; R76-D235 PolarHBondContact NH2-OD2 2.85Å
236P96Very high86.6Confident4 Ų455.6 Ų55.63%0.02627%0.268CS..  trans-75.4139.5-172.531.6-35.8000111.9D77 I79 M233 R238D77-P236 HydrophobicContact CB-CB 3.99Å; D77-P236 CarbonylContact O-C 3.57Å; D77-P236 VanDerWaalsContact O-CA 3.31Å; D77-P236 WeakPolarHBondContact O-CA 3.25Å; I79-P236 HydrophobicContact CD1-CB 4.03Å; I79-P236 HydrophobicContact CD1-CG 3.86Å; I79-P236 HydrophobicContact CG1-CB 4.16Å; M233-P236 HydrophobicContact CB-CB 4.3Å; M233-P236 HydrophobicContact CB-CG 4.33Å; M233-P236 HydrophobicContact CE-CB 3.9Å; M233-P236 HydrophobicContact SD-CB 4.49Å; P236-R238 PolarHBondContact O-N 3.49Å; P236-R238 PolarHBondContact O-NH1 3.43Å
237I96.8Very high86.1Confident0 Ų056.1 Ų56.10%027%0.272CS..EExtended strand (participates in β ladder)trans-69.7126.9164.6-67.3-63.8000108.6E33 V34 Q71 R76 D77 V78 I79 I239E33-I237 HydrophobicContact CB-CD1 4.13Å; V34-I237 HydrophobicContact CG2-CG2 3.57Å; Q71-I237 HydrophobicContact CB-CG2 4.1Å; Q71-I237 HydrophobicContact CG-CG2 4.01Å; R76-I237 HydrophobicContact CB-CG1 4.06Å; R76-I237 HydrophobicContact CG-CG1 4.26Å; D77-I237 PolarHBondContact O-N 3.4Å; V78-I237 CarbonylContact C-O 3.53Å; V78-I237 WeakPolarHBondContact CA-O 3.46Å; V78-I237 HydrophobicContact CG2-CB 4.38Å; I79-I237 PolarHBondContact N-O 3.13Å; I237-I239 HydrophobicContact CG2-CG1 4.32Å
238R95.3Very high85.8Confident50 Ų5055.3 Ų55.319%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-105.5131.9179.3-61.4179.2-169.180.11.9109.4E29 T30 S31 I79 P236 L240E29-R238 WeakPolarHBondContact O-CB 3.19Å; T30-R238 CarbonylContact C-O 3.57Å; T30-R238 VanDerWaalsContact CA-O 3.29Å; T30-R238 WeakPolarHBondContact CA-O 3.43Å; T30-R238 WeakPolarHBondContact CG2-O 3.38Å; S31-R238 PolarHBondContact N-O 2.98Å; S31-R238 PolarHBondContact OG-N 3.21Å; I79-R238 HydrophobicContact CB-CG 4.49Å; I79-R238 HydrophobicContact CD1-CG 4.33Å; I79-R238 CarbonylContact O-C 3.16Å; I79-R238 WeakPolarHBondContact O-CA 3.5Å; P236-R238 PolarHBondContact O-N 3.49Å; P236-R238 PolarHBondContact O-NH1 3.43Å; R238-L240 HydrophobicContact CB-CD1 4.34Å; R238-L240 HydrophobicContact CB-CG 4.15Å
239I94.7Very high85.5Confident6 Ų663.1 Ų63.13%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-127.397.7171-58.1167.5000105.4V34 I64 R67 A68 I79 Q81 I237V34-I239 HydrophobicContact CG1-CD1 4.21Å; V34-I239 HydrophobicContact CG1-CG1 4.02Å; V34-I239 HydrophobicContact CG2-CD1 4.33Å; V34-I239 HydrophobicContact CG2-CG1 3.73Å; I64-I239 HydrophobicContact CD1-CB 4.4Å; I64-I239 HydrophobicContact CD1-CG2 3.74Å; R67-I239 HydrophobicContact CB-CD1 4.06Å; R67-I239 HydrophobicContact CB-CG2 4.4Å; A68-I239 HydrophobicContact CB-CD1 3.53Å; I79-I239 PolarHBondContact O-N 3.16Å; Q81-I239 PolarHBondContact N-O 3.37Å; I237-I239 HydrophobicContact CG2-CG1 4.32Å
240L91.8Very high85.5Confident27 Ų2764.5 Ų64.514%0.14132%0.319CS..  trans-112150.6-170.6-56.2179.4000110.5F28 T30 I79 Q81 L221 L226 R238F28-L240 HydrophobicContact CB-CD1 3.63Å; F28-L240 WeakPolarHBondContact O-CD1 3.4Å; T30-L240 PolarHBondContact OG1-N 2.9Å; T30-L240 PolarHBondContact OG1-O 3.46Å; I79-L240 HydrophobicContact CG2-CD2 4.3Å; Q81-L240 HydrophobicContact CB-CD2 4.33Å; L221-L240 HydrophobicContact CD1-CD2 3.97Å; L226-L240 HydrophobicContact CD2-CD2 4.37Å; R238-L240 HydrophobicContact CB-CD1 4.34Å; R238-L240 HydrophobicContact CB-CG 4.15Å
241V85.2Confident85.7Confident25 Ų2561.2 Ų61.215%0.15230%0.302CS..  trans-115.1132175.5179.20000107.7Q81 E245 L246Q81-V241 HydrophobicContact CG-CB 4.49Å; Q81-V241 WeakPolarHBondContact O-CG2 3.09Å; Q81-V241 VanDerWaalsContact OE1-N 3.15Å; Q81-V241 PolarHBondContact OE1-O 3.27Å; V241-E245 HydrophobicContact CG1-CB 3.76Å; V241-L246 HydrophobicContact CB-CD2 3.9Å; V241-L246 HydrophobicContact CG1-CD2 3.86Å; V241-L246 HydrophobicContact CG1-CG 4.42Å
242K78.8Confident86Confident142 Ų14259.9 Ų59.962%0.61730%0.296SS*.  trans-63.3150.2177.9-63.4-177.1176.2178.10110.2D244 E245 L246K242-D244 VanDerWaalsContact C-N 3.31Å; K242-D244 WeakPolarHBondContact CB-OD1 3.45Å; K242-D244 PolarHBondContact O-N 2.97Å; K242-E245 HydrophobicContact CB-CG 4.42Å; K242-E245 PolarHBondContact O-N 3.45Å; K242-L246 PolarHBondContact O-N 3.2Å
243R74.3Confident86.3Confident124 Ų12458.7 Ų58.747%0.46829%0.291SS..G310 helixtrans-63-37.6-170.2-64.1179.1-177.2174.40.9113.1E245 L246 Y395R243-E245 PolarHBondContact O-N 2.99Å; R243-L246 HydrophobicContact CB-CD1 4.48Å; R243-L246 WeakPolarHBondContact O-CB 3.31Å; R243-L246 PolarHBondContact O-N 3Å; R243-Y395 VanDerWaalsContact CZ-OH 3.22Å; R243-Y395 PolarHBondContact NE-OH 3.46Å; R243-Y395 PolarHBondContact NH1-OH 3.45Å
244D77.1Confident86.3Confident86 Ų8658.9 Ų58.946%0.4629%0.291SS..G310 helixtrans-67.6-16.1174.453.8-18.9000113.6K242K242-D244 VanDerWaalsContact C-N 3.31Å; K242-D244 WeakPolarHBondContact CB-OD1 3.45Å; K242-D244 PolarHBondContact O-N 2.97Å
245E78.3Confident86.5Confident105 Ų10553.9 Ų53.949%0.49126%0.26SS..G310 helixtrans-100.82.6175.2-63176.1-170.200112.7Q83 V241 K242 R243Q83-E245 WeakPolarHBondContact CG-O 3.38Å; Q83-E245 PolarHBondContact NE2-O 3.33Å; V241-E245 HydrophobicContact CG1-CB 3.76Å; K242-E245 HydrophobicContact CB-CG 4.42Å; K242-E245 PolarHBondContact O-N 3.45Å; R243-E245 PolarHBondContact O-N 2.99Å
246L77Confident86.6Confident6 Ų649.8 Ų49.83%0.03124%0.239CC..SBendtrans-78.6-29.2-176.8-72.4174.9000113.9Q81 Q83 A219 V241 K242 R243 Y396Q81-L246 HydrophobicContact CG-CD2 4.38Å; Q83-L246 WeakPolarHBondContact CG-O 3.27Å; A219-L246 WeakPolarHBondContact O-CD2 3.01Å; V241-L246 HydrophobicContact CB-CD2 3.9Å; V241-L246 HydrophobicContact CG1-CD2 3.86Å; V241-L246 HydrophobicContact CG1-CG 4.42Å; K242-L246 PolarHBondContact O-N 3.2Å; R243-L246 HydrophobicContact CB-CD1 4.48Å; R243-L246 WeakPolarHBondContact O-CB 3.31Å; R243-L246 PolarHBondContact O-N 3Å; L246-Y396 HydrophobicContact CD1-CE1 4.19Å
247T75.5Confident86.4Confident23 Ų2352.3 Ų52.314%0.14126%0.26CS..SBendtrans-74.6139.2177.2470000110.8E249 I362 Y396 T398T247-E249 PolarHBondContact O-N 2.91Å; T247-I362 HydrophobicContact CG2-CD1 3.53Å; T247-Y396 HydrophobicContact CG2-CG 4.44Å; T247-T398 HydrophobicContact CG2-CG2 4.32Å
248L76Confident86.1Confident34 Ų3452.6 Ų52.618%0.17826%0.261CS..  trans-80.2118.6176.5-67.3171.4000109.5Q83 G250 I251Q83-L248 HydrophobicContact CB-CD2 3.68Å; Q83-L248 HydrophobicContact CB-CG 4.33Å; Q83-L248 HydrophobicContact CG-CD2 4.21Å; L248-G250 PolarHBondContact O-N 3.1Å; L248-I251 HydrophobicContact CB-CD1 3.97Å; L248-I251 HydrophobicContact CB-CG1 3.98Å; L248-I251 HydrophobicContact CD1-CD1 3.76Å; L248-I251 HydrophobicContact CD1-CG1 4.4Å; L248-I251 HydrophobicContact CG-CD1 4.42Å; L248-I251 PolarHBondContact O-N 3.36Å
249E78.8Confident85.9Confident194 Ų19455.9 Ų55.991%0.90728%0.279SS*.THydrogen-bonded Turntrans-54.5-27.8174.9-64.7-179.8174.100113T247 I251T247-E249 PolarHBondContact O-N 2.91Å; E249-I251 PolarHBondContact O-N 2.9Å
250G84.2Confident85.8Confident30 Ų3062.8 Ų62.831%0.30931%0.305SS..THydrogen-bonded Turntrans-71.3-9.9177.500000114.9L248 K374 G375L248-G250 PolarHBondContact O-N 3.1Å; G250-K374 CarbonylContact O-C 3.22Å; G250-K374 WeakPolarHBondContact O-CA 3.47Å; G250-G375 PolarHBondContact O-N 3.02Å
251I88.8Confident85.8Confident7 Ų764.2 Ų64.24%0.03631%0.311CS..EExtended strand (participates in β ladder)trans-103.7110.7-179.7-56.9178.5000110L248 E249 Q253 I365 G375 A377L248-I251 HydrophobicContact CB-CD1 3.97Å; L248-I251 HydrophobicContact CB-CG1 3.98Å; L248-I251 HydrophobicContact CD1-CD1 3.76Å; L248-I251 HydrophobicContact CD1-CG1 4.4Å; L248-I251 HydrophobicContact CG-CD1 4.42Å; L248-I251 PolarHBondContact O-N 3.36Å; E249-I251 PolarHBondContact O-N 2.9Å; I251-Q253 HydrophobicContact CG2-CG 4.21Å; I251-I365 WeakPolarHBondContact CD1-O 3.25Å; I251-G375 CarbonylContact C-O 3.52Å; I251-G375 WeakPolarHBondContact CA-O 3.5Å; I251-A377 HydrophobicContact CG2-CB 4.03Å
252K91.6Very high86.1Confident128 Ų12868.6 Ų68.656%0.55733%0.33SS*.EExtended strand (participates in β ladder)trans-77.2130.3169.6-65.5-61.2-175.4-177.70109.8F254 G375 V376 A377K252-F254 HydrophobicContact CB-CE2 3.7Å; K252-F254 HydrophobicContact CB-CZ 4.05Å; K252-G375 PolarHBondContact N-O 3.4Å; K252-V376 CarbonylContact O-C 3.58Å; K252-V376 VanDerWaalsContact O-CA 3.31Å; K252-V376 WeakPolarHBondContact O-CA 3.42Å; K252-A377 PolarHBondContact O-N 3.34Å
253Q94.4Very high86.8Confident9 Ų966.7 Ų66.74%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-115.8125.5-173.2-66.7163.77500108.8I251 Y361 I365 A377 T398 I400 D401I251-Q253 HydrophobicContact CG2-CG 4.21Å; Q253-Y361 VanDerWaalsContact OE1-CE1 3.3Å; Q253-Y361 PolarHBondContact OE1-OH 2.97Å; Q253-Y361 VanDerWaalsContact OE1-OH 3.06Å; Q253-I365 HydrophobicContact CG-CD1 4.3Å; Q253-A377 CarbonylContact C-O 3.56Å; Q253-A377 WeakPolarHBondContact CA-O 3.39Å; Q253-A377 HydrophobicContact CG-CB 4.3Å; Q253-T398 PolarHBondContact NE2-OG1 3.08Å; Q253-I400 HydrophobicContact CB-CB 4.44Å; Q253-I400 HydrophobicContact CB-CG1 4.1Å; Q253-I400 HydrophobicContact CB-CG2 4.2Å; Q253-I400 WeakPolarHBondContact O-CA 3.43Å; Q253-D401 PolarHBondContact O-N 3.26Å
254F94.4Very high87.8Confident12 Ų1261 Ų615%0.05330%0.297CS..EExtended strand (participates in β ladder)trans-126159.3179.6-59.3-76.1000111.2K252 V376 A377 I378 N379 D401 M403 L410K252-F254 HydrophobicContact CB-CE2 3.7Å; K252-F254 HydrophobicContact CB-CZ 4.05Å; F254-V376 HydrophobicContact CD2-CG1 3.8Å; F254-V376 HydrophobicContact CE2-CG1 3.98Å; F254-A377 PolarHBondContact N-O 3.05Å; F254-I378 WeakPolarHBondContact O-CA 3.48Å; F254-N379 PolarHBondContact O-N 2.94Å; F254-N379 PolarHBondContact O-ND2 3.31Å; F254-D401 CarbonylContact C-O 3.52Å; F254-D401 WeakPolarHBondContact CA-O 3.4Å; F254-D401 HydrophobicContact CD1-CB 3.82Å; F254-D401 HydrophobicContact CE1-CB 3.99Å; F254-M403 HydrophobicContact CB-CB 4.1Å; F254-M403 HydrophobicContact CB-CG 4.32Å; F254-L410 HydrophobicContact CD2-CD1 4.34Å; F254-L410 HydrophobicContact CE1-CD1 4.11Å; F254-L410 HydrophobicContact CE2-CD1 3.69Å; F254-L410 HydrophobicContact CE2-CD2 4.34Å; F254-L410 HydrophobicContact CE2-CG 4.44Å; F254-L410 HydrophobicContact CZ-CD1 3.56Å; F254-L410 HydrophobicContact CZ-CD2 3.82Å; F254-L410 HydrophobicContact CZ-CG 4.27Å
255F95Very high88.7Confident11 Ų1157.7 Ų57.75%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-128.5152.5165.875.2-88.5000111.9A257 N379 V381 I386 L389 I400 D401 E402 M403F255-A257 HydrophobicContact CE2-CB 4.33Å; F255-N379 CarbonylContact C-O 3.26Å; F255-N379 WeakPolarHBondContact CA-O 3.42Å; F255-N379 HydrophobicContact CB-CB 4.14Å; F255-V381 HydrophobicContact CB-CG2 4.18Å; F255-V381 HydrophobicContact CD2-CG2 3.62Å; F255-V381 HydrophobicContact CE2-CG2 4.49Å; F255-V381 HydrophobicContact CG-CG2 4.26Å; F255-I386 HydrophobicContact CD2-CD1 4.18Å; F255-I386 HydrophobicContact CE2-CD1 3.99Å; F255-I386 HydrophobicContact CZ-CD1 4.34Å; F255-L389 HydrophobicContact CB-CD2 3.48Å; F255-L389 VanDerWaalsContact CB-CD2 3.48Å; F255-L389 HydrophobicContact CD1-CD2 3.9Å; F255-L389 HydrophobicContact CD2-CD2 4.49Å; F255-L389 HydrophobicContact CG-CD2 3.7Å; F255-I400 HydrophobicContact CB-CG2 4.29Å; F255-I400 HydrophobicContact CD1-CG2 4.13Å; F255-D401 VanDerWaalsContact CD1-O 3.27Å; F255-D401 WeakPolarHBondContact CD1-O 3.39Å; F255-D401 PolarHBondContact N-O 2.92Å; F255-E402 HydrophobicContact CE1-CB 3.87Å; F255-E402 HydrophobicContact CE2-CB 4.33Å; F255-E402 HydrophobicContact CE2-CG 4.12Å; F255-E402 HydrophobicContact CZ-CB 3.68Å; F255-E402 HydrophobicContact CZ-CG 3.94Å; F255-M403 WeakPolarHBondContact O-CB 3.46Å; F255-M403 PolarHBondContact O-N 3.14Å
256V93.6Very high89.4Confident23 Ų2356.6 Ų56.614%0.13928%0.276CS..EExtended strand (participates in β ladder)trans-120.3116.2170.1-1730000107.6V258 T267 I378 N379 F380 V381 M403V256-V258 HydrophobicContact CG1-CG1 4.32Å; V256-T267 HydrophobicContact CB-CG2 4.47Å; V256-T267 HydrophobicContact CG1-CG2 3.98Å; V256-T267 HydrophobicContact CG2-CG2 4.41Å; V256-I378 HydrophobicContact CG2-CG2 3.9Å; V256-N379 PolarHBondContact N-O 3.11Å; V256-F380 HydrophobicContact CB-CD1 4.03Å; V256-F380 HydrophobicContact CB-CE1 4.31Å; V256-F380 HydrophobicContact CG2-CD1 4.26Å; V256-F380 HydrophobicContact CG2-CE1 4.17Å; V256-V381 PolarHBondContact O-N 3.25Å; V256-M403 HydrophobicContact CG2-CB 3.84Å; V256-M403 HydrophobicContact CG2-CE 3.48Å; V256-M403 VanDerWaalsContact CG2-CE 3.48Å; V256-M403 HydrophobicContact CG2-CG 4.36Å; V256-M403 HydrophobicContact CG2-SD 3.58Å; V256-M403 VanDerWaalsContact CG2-SD 3.58Å
257A92.3Very high90.2Very high57 Ų5757.5 Ų57.547%0.47128%0.282SS..EExtended strand (participates in β ladder)trans-77.3125.5174.300000109.8F255 V381F255-A257 HydrophobicContact CE2-CB 4.33Å; A257-V381 WeakPolarHBondContact CA-O 3.41Å; A257-V381 HydrophobicContact CB-CG2 4.41Å
258V92Very high91.1Very high5 Ų556.4 Ų56.43%0.0328%0.275CS..EExtended strand (participates in β ladder)trans-123.3131.4176.3-63.10000109.7V256 R260 W263 K264 V381 K382V256-V258 HydrophobicContact CG1-CG1 4.32Å; V258-R260 VanDerWaalsContact C-N 3.33Å; V258-W263 HydrophobicContact CB-CB 4.26Å; V258-W263 HydrophobicContact CG1-CB 4.38Å; V258-K264 HydrophobicContact CB-CG 4.46Å; V258-K264 HydrophobicContact CG1-CG 4.42Å; V258-K264 HydrophobicContact CG2-CD 4.37Å; V258-K264 HydrophobicContact CG2-CG 3.56Å; V258-V381 PolarHBondContact N-O 3.26Å; V258-K382 WeakPolarHBondContact O-CA 3.38Å
259E90.6Very high91.9Very high119 Ų11956 Ų5656%0.55628%0.275SS*.SBendtrans-73.4-31.6-179.9-60.2-178.3175.500111.9W263E259-W263 HydrophobicContact CB-CE3 3.99Å; E259-W263 HydrophobicContact CB-CH2 4.05Å; E259-W263 HydrophobicContact CB-CZ3 3.52Å; E259-W263 HydrophobicContact CG-CE3 4.39Å; E259-W263 HydrophobicContact CG-CH2 4.26Å; E259-W263 HydrophobicContact CG-CZ3 3.62Å; E259-W263 WeakPolarHBondContact OE2-CH2 3.47Å
260R91.6Very high92.3Very high152 Ų15252.9 Ų52.957%0.57426%0.264SS*.SBendtrans-124.8147.2-175.2-61.1-171.6-177.2-170.21.3111V258 E262 W263V258-R260 VanDerWaalsContact C-N 3.33Å; R260-E262 PolarHBondContact O-N 2.91Å; R260-W263 HydrophobicContact CB-CD2 4.06Å; R260-W263 HydrophobicContact CB-CG 4.06Å; R260-W263 HydrophobicContact CG-CD2 4.43Å; R260-W263 HydrophobicContact CG-CZ2 4.38Å; R260-W263 PolarHBondContact O-N 3.34Å
261E92.5Very high92.6Very high56 Ų5652 Ų5226%0.26225%0.252SS..THydrogen-bonded Turntrans-63.8-34.7-179.8-177.159.1-155.900111.2W263 K264 K289E261-W263 VanDerWaalsContact C-N 3.26Å; E261-W263 PolarHBondContact O-N 3.29Å; E261-K264 WeakPolarHBondContact O-CB 3.46Å; E261-K264 PolarHBondContact O-N 3.32Å; E261-K264 IonicContact OE1-NZ 2.75Å; E261-K264 WeakPolarHBondContact OE2-CE 3.38Å; E261-K264 IonicContact OE2-NZ 3.49Å; E261-K264 PolarHBondContact OE2-NZ 2.99Å; E261-K289 IonicContact OE1-NZ 3.33Å; E261-K289 PolarHBondContact OE1-NZ 3.04Å
262E92.1Very high92.6Very high118 Ų11852.4 Ų52.455%0.55125%0.254SS*.THydrogen-bonded Turntrans-61.8-34.4178.4-63.379-174.200112.2R260 K264 F265R260-E262 PolarHBondContact O-N 2.91Å; E262-K264 PolarHBondContact O-N 3.32Å; E262-F265 WeakPolarHBondContact O-CB 3.32Å; E262-F265 PolarHBondContact O-N 3.33Å; E262-F265 VanDerWaalsContact O-N 3.08Å
263W93.7Very high92.1Very high102 Ų10252.1 Ų52.139%0.38626%0.258SS..Hα-helixtrans-69.2-20.6-177.7-63.8-7.6000113V258 E259 R260 E261 F265 D266 T267V258-W263 HydrophobicContact CB-CB 4.26Å; V258-W263 HydrophobicContact CG1-CB 4.38Å; E259-W263 HydrophobicContact CB-CE3 3.99Å; E259-W263 HydrophobicContact CB-CH2 4.05Å; E259-W263 HydrophobicContact CB-CZ3 3.52Å; E259-W263 HydrophobicContact CG-CE3 4.39Å; E259-W263 HydrophobicContact CG-CH2 4.26Å; E259-W263 HydrophobicContact CG-CZ3 3.62Å; E259-W263 WeakPolarHBondContact OE2-CH2 3.47Å; R260-W263 HydrophobicContact CB-CD2 4.06Å; R260-W263 HydrophobicContact CB-CG 4.06Å; R260-W263 HydrophobicContact CG-CD2 4.43Å; R260-W263 HydrophobicContact CG-CZ2 4.38Å; R260-W263 PolarHBondContact O-N 3.34Å; E261-W263 VanDerWaalsContact C-N 3.26Å; E261-W263 PolarHBondContact O-N 3.29Å; W263-F265 PolarHBondContact O-N 3.47Å; W263-D266 PolarHBondContact O-N 2.96Å; W263-T267 PolarHBondContact O-N 2.86Å; W263-T267 PolarHBondContact O-OG1 2.79Å; W263-T267 VanDerWaalsContact O-OG1 3.05Å
264K95.3Very high91.2Very high3 Ų352.7 Ų52.71%0.01326%0.263CS..Hα-helixtrans-57.8-37.1170.3-70.1-173.9176.2168.40112V258 E261 E262 L268 Y352 D353 F380V258-K264 HydrophobicContact CB-CG 4.46Å; V258-K264 HydrophobicContact CG1-CG 4.42Å; V258-K264 HydrophobicContact CG2-CD 4.37Å; V258-K264 HydrophobicContact CG2-CG 3.56Å; E261-K264 WeakPolarHBondContact O-CB 3.46Å; E261-K264 PolarHBondContact O-N 3.32Å; E261-K264 IonicContact OE1-NZ 2.75Å; E261-K264 WeakPolarHBondContact OE2-CE 3.38Å; E261-K264 IonicContact OE2-NZ 3.49Å; E261-K264 PolarHBondContact OE2-NZ 2.99Å; E262-K264 PolarHBondContact O-N 3.32Å; K264-L268 WeakPolarHBondContact O-CB 3.44Å; K264-L268 PolarHBondContact O-N 3.13Å; K264-Y352 HydrophobicContact CB-CE1 3.98Å; K264-Y352 HydrophobicContact CB-CE2 3.8Å; K264-Y352 VanDerWaalsContact CB-CZ 3.5Å; K264-Y352 WeakPolarHBondContact CB-OH 3.36Å; K264-Y352 HydrophobicContact CD-CD1 4.17Å; K264-Y352 HydrophobicContact CD-CE1 3.93Å; K264-Y352 WeakPolarHBondContact CD-O 3.33Å; K264-Y352 WeakPolarHBondContact CE-O 3.37Å; K264-Y352 PolarHBondContact NZ-O 2.92Å; K264-D353 IonicContact NZ-OD1 3.34Å; K264-F380 HydrophobicContact CB-CD2 3.74Å; K264-F380 HydrophobicContact CB-CE2 4.26Å; K264-F380 HydrophobicContact CD-CB 3.89Å; K264-F380 HydrophobicContact CD-CD2 4.21Å; K264-F380 HydrophobicContact CG-CB 3.94Å; K264-F380 HydrophobicContact CG-CD2 3.9Å; K264-F380 HydrophobicContact CG-CG 4.27Å; K264-F380 WeakPolarHBondContact O-CE2 3.44Å
265F95.9Very high90.2Very high18 Ų1852.2 Ų52.28%0.07926%0.26CS..Hα-helixtrans-67-45.9177178.4-103.3000111E262 W263 T267 L268 C269 L293 K296 M297 A300 Y352E262-F265 WeakPolarHBondContact O-CB 3.32Å; E262-F265 PolarHBondContact O-N 3.33Å; E262-F265 VanDerWaalsContact O-N 3.08Å; W263-F265 PolarHBondContact O-N 3.47Å; F265-T267 PolarHBondContact O-N 3Å; F265-L268 WeakPolarHBondContact O-CB 3.27Å; F265-L268 PolarHBondContact O-N 3.39Å; F265-L268 VanDerWaalsContact O-N 3.11Å; F265-C269 VanDerWaalsContact CE1-SG 3.6Å; F265-C269 VanDerWaalsContact CZ-SG 3.59Å; F265-C269 PolarHBondContact O-N 3.13Å; F265-C269 PolarHBondContact O-SG 3.47Å; F265-L293 HydrophobicContact CD2-CD1 3.88Å; F265-L293 HydrophobicContact CE2-CD1 4.44Å; F265-K296 HydrophobicContact CD1-CD 4.05Å; F265-K296 VanDerWaalsContact CD1-NZ 3.27Å; F265-K296 HydrophobicContact CD2-CB 4.4Å; F265-K296 HydrophobicContact CD2-CD 3.73Å; F265-K296 HydrophobicContact CD2-CG 4.29Å; F265-K296 HydrophobicContact CE1-CD 4.03Å; F265-K296 HydrophobicContact CE1-CG 4.22Å; F265-K296 HydrophobicContact CE2-CB 3.78Å; F265-K296 HydrophobicContact CE2-CD 3.72Å; F265-K296 HydrophobicContact CE2-CG 3.76Å; F265-K296 HydrophobicContact CG-CD 3.88Å; F265-K296 HydrophobicContact CZ-CB 4.15Å; F265-K296 HydrophobicContact CZ-CD 3.86Å; F265-K296 HydrophobicContact CZ-CG 3.71Å; F265-M297 HydrophobicContact CD2-SD 4.26Å; F265-M297 HydrophobicContact CE2-CG 4.1Å; F265-M297 HydrophobicContact CE2-SD 3.66Å; F265-M297 HydrophobicContact CZ-SD 4.46Å; F265-A300 HydrophobicContact CZ-CB 4.19Å; F265-Y352 PolarHBondContact N-OH 3.35Å
266D92.9Very high89.3Confident81 Ų8154.2 Ų54.243%0.43327%0.274SS..Hα-helixtrans-61.8-46.1179.9-55.7-33.8000110.6W263 L268 C269 D270W263-D266 PolarHBondContact O-N 2.96Å; D266-L268 VanDerWaalsContact C-N 3.31Å; D266-L268 PolarHBondContact O-N 2.82Å; D266-C269 WeakPolarHBondContact O-CB 3.11Å; D266-C269 PolarHBondContact O-N 3.19Å; D266-C269 VanDerWaalsContact O-N 3.14Å; D266-D270 PolarHBondContact O-N 3.48Å
267T92.4Very high88.6Confident26 Ų2657.9 Ų57.916%0.1629%0.291CS..Hα-helixtrans-59.3-39.4173.1-55.30000112.5V256 W263 F265 C269 D270 L271 F380V256-T267 HydrophobicContact CB-CG2 4.47Å; V256-T267 HydrophobicContact CG1-CG2 3.98Å; V256-T267 HydrophobicContact CG2-CG2 4.41Å; W263-T267 PolarHBondContact O-N 2.86Å; W263-T267 PolarHBondContact O-OG1 2.79Å; W263-T267 VanDerWaalsContact O-OG1 3.05Å; F265-T267 PolarHBondContact O-N 3Å; T267-C269 VanDerWaalsContact C-N 3.34Å; T267-D270 PolarHBondContact O-N 3.43Å; T267-L271 HydrophobicContact CG2-CD1 4.12Å; T267-L271 WeakPolarHBondContact O-CB 3.44Å; T267-L271 VanDerWaalsContact O-CG 3.29Å; T267-L271 WeakPolarHBondContact O-CG 3.31Å; T267-L271 PolarHBondContact O-N 3.07Å; T267-F380 HydrophobicContact CG2-CD1 4.49Å; T267-F380 HydrophobicContact CG2-CE1 3.6Å; T267-F380 HydrophobicContact CG2-CZ 3.63Å
268L94.2Very high88.2Confident0 Ų056.5 Ų56.50%028%0.277CS..Hα-helixtrans-64.3-40.5177-177.762.6000111.9K264 F265 D266 L271 Y272 L275 I282 L293 M297 I350 Y352 F380K264-L268 WeakPolarHBondContact O-CB 3.44Å; K264-L268 PolarHBondContact O-N 3.13Å; F265-L268 WeakPolarHBondContact O-CB 3.27Å; F265-L268 PolarHBondContact O-N 3.39Å; F265-L268 VanDerWaalsContact O-N 3.11Å; D266-L268 VanDerWaalsContact C-N 3.31Å; D266-L268 PolarHBondContact O-N 2.82Å; L268-L271 PolarHBondContact O-N 3Å; L268-Y272 PolarHBondContact O-N 2.94Å; L268-Y272 VanDerWaalsContact O-N 3.11Å; L268-L275 HydrophobicContact CD1-CD1 3.78Å; L268-I282 HydrophobicContact CD1-CD1 3.73Å; L268-I282 HydrophobicContact CD2-CD1 4.02Å; L268-I282 HydrophobicContact CG-CD1 4.43Å; L268-L293 HydrophobicContact CD2-CD1 3.95Å; L268-L293 HydrophobicContact CD2-CD2 4.07Å; L268-L293 HydrophobicContact CD2-CG 4.33Å; L268-M297 HydrophobicContact CD2-CE 4.09Å; L268-M297 HydrophobicContact CD2-CG 4.38Å; L268-M297 HydrophobicContact CD2-SD 3.72Å; L268-M297 HydrophobicContact CG-CE 4.14Å; L268-M297 HydrophobicContact CG-SD 4.14Å; L268-I350 HydrophobicContact CD1-CD1 3.5Å; L268-I350 VanDerWaalsContact CD1-CD1 3.5Å; L268-Y352 HydrophobicContact CB-CE2 4.46Å; L268-Y352 HydrophobicContact CD2-CD2 4.12Å; L268-Y352 HydrophobicContact CD2-CE2 4.06Å; L268-F380 HydrophobicContact CB-CE2 4.03Å; L268-F380 HydrophobicContact CB-CZ 4.3Å
269C92.8Very high88.1Confident25 Ų2556.5 Ų56.517%0.16928%0.277CS..Hα-helixtrans-61.8-45175.8-65.70000110.9F265 D266 T267 L271 Y272 F302F265-C269 VanDerWaalsContact CE1-SG 3.6Å; F265-C269 VanDerWaalsContact CZ-SG 3.59Å; F265-C269 PolarHBondContact O-N 3.13Å; F265-C269 PolarHBondContact O-SG 3.47Å; D266-C269 WeakPolarHBondContact O-CB 3.11Å; D266-C269 PolarHBondContact O-N 3.19Å; D266-C269 VanDerWaalsContact O-N 3.14Å; T267-C269 VanDerWaalsContact C-N 3.34Å; C269-L271 VanDerWaalsContact C-N 3.29Å; C269-L271 PolarHBondContact O-N 3.2Å; C269-Y272 VanDerWaalsContact O-CB 3.25Å; C269-Y272 WeakPolarHBondContact O-CB 3.13Å; C269-Y272 PolarHBondContact O-N 3.39Å; C269-Y272 VanDerWaalsContact O-N 3.09Å; C269-F302 HydrophobicContact CB-CE2 3.88Å; C269-F302 HydrophobicContact CB-CZ 4.21Å
270D89.2Confident88.3Confident128 Ų12850.8 Ų50.868%0.68425%0.25SS*.Hα-helixtrans-62.6-35.9177.6-66.1-26.1000112.3D266 T267 Y272D266-D270 PolarHBondContact O-N 3.48Å; T267-D270 PolarHBondContact O-N 3.43Å; D270-Y272 VanDerWaalsContact C-N 3.3Å; D270-Y272 PolarHBondContact O-N 2.81Å
271L89.2Confident88.4Confident11 Ų1143.7 Ų43.76%0.05822%0.224CC..Hα-helixtrans-77.9-12.6177-69.7176000113.5T267 L268 C269 D273 T274 L275 I350 I378 F380 M403 V407T267-L271 HydrophobicContact CG2-CD1 4.12Å; T267-L271 WeakPolarHBondContact O-CB 3.44Å; T267-L271 VanDerWaalsContact O-CG 3.29Å; T267-L271 WeakPolarHBondContact O-CG 3.31Å; T267-L271 PolarHBondContact O-N 3.07Å; L268-L271 PolarHBondContact O-N 3Å; C269-L271 VanDerWaalsContact C-N 3.29Å; C269-L271 PolarHBondContact O-N 3.2Å; L271-D273 PolarHBondContact O-N 3.07Å; L271-T274 PolarHBondContact O-N 3.32Å; L271-T274 VanDerWaalsContact O-N 3.14Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 2.79Å; L271-I350 HydrophobicContact CD1-CD1 4.47Å; L271-I378 HydrophobicContact CD1-CD1 4.07Å; L271-I378 HydrophobicContact CD1-CG2 4.44Å; L271-F380 HydrophobicContact CD1-CE1 3.95Å; L271-F380 HydrophobicContact CD1-CZ 3.98Å; L271-M403 HydrophobicContact CD1-SD 4.45Å; L271-M403 HydrophobicContact CD2-CE 4.02Å; L271-M403 HydrophobicContact CD2-SD 4.18Å; L271-V407 HydrophobicContact CD2-CB 4.17Å; L271-V407 HydrophobicContact CD2-CG1 3.94Å; L271-V407 HydrophobicContact CD2-CG2 3.89Å
272Y89.1Confident88.6Confident17 Ų1741 Ų417%0.06721%0.211CC..Hα-helixtrans-62.9-41.9-167.4-171-88.4000113.6L268 C269 D270 T274 L275 T276 M297 F302 T303 V304 V330L268-Y272 PolarHBondContact O-N 2.94Å; L268-Y272 VanDerWaalsContact O-N 3.11Å; C269-Y272 VanDerWaalsContact O-CB 3.25Å; C269-Y272 WeakPolarHBondContact O-CB 3.13Å; C269-Y272 PolarHBondContact O-N 3.39Å; C269-Y272 VanDerWaalsContact O-N 3.09Å; D270-Y272 VanDerWaalsContact C-N 3.3Å; D270-Y272 PolarHBondContact O-N 2.81Å; Y272-T274 PolarHBondContact O-N 3.1Å; Y272-L275 HydrophobicContact CD2-CD1 4.31Å; Y272-L275 WeakPolarHBondContact O-CB 3.34Å; Y272-L275 PolarHBondContact O-N 3.5Å; Y272-T276 HydrophobicContact CD1-CG2 3.89Å; Y272-T276 HydrophobicContact CE1-CG2 3.38Å; Y272-T276 WeakPolarHBondContact O-CG2 3.31Å; Y272-T276 PolarHBondContact O-N 3Å; Y272-M297 HydrophobicContact CD2-CE 3.37Å; Y272-M297 HydrophobicContact CE2-CE 3.73Å; Y272-M297 HydrophobicContact CG-CE 4.32Å; Y272-F302 AromaticContact CD1-CD1 3.1Å; Y272-F302 HydrophobicContact CD1-CD1 3.1Å; Y272-F302 AromaticContact CD1-CE1 3.33Å; Y272-F302 HydrophobicContact CD1-CE1 3.33Å; Y272-F302 AromaticContact CD1-CG 4Å; Y272-F302 HydrophobicContact CD1-CG 4Å; Y272-F302 HydrophobicContact CD1-CZ 4.38Å; Y272-F302 HydrophobicContact CD2-CB 4.16Å; Y272-F302 AromaticContact CD2-CD1 3.93Å; Y272-F302 HydrophobicContact CD2-CD1 3.93Å; Y272-F302 HydrophobicContact CD2-CE1 4.43Å; Y272-F302 AromaticContact CD2-CG 3.99Å; Y272-F302 HydrophobicContact CD2-CG 3.99Å; Y272-F302 HydrophobicContact CE1-CB 4.14Å; Y272-F302 AromaticContact CE1-CD1 3.29Å; Y272-F302 HydrophobicContact CE1-CD1 3.29Å; Y272-F302 AromaticContact CE1-CE1 3.99Å; Y272-F302 HydrophobicContact CE1-CE1 3.99Å; Y272-F302 HydrophobicContact CE1-CG 4.05Å; Y272-F302 HydrophobicContact CE2-CB 3.72Å; Y272-F302 HydrophobicContact CE2-CD1 4.07Å; Y272-F302 HydrophobicContact CE2-CG 4.03Å; Y272-F302 AromaticContact CG-CD1 3.43Å; Y272-F302 HydrophobicContact CG-CD1 3.43Å; Y272-F302 VanDerWaalsContact CG-CD1 3.43Å; Y272-F302 AromaticContact CG-CE1 3.58Å; Y272-F302 HydrophobicContact CG-CE1 3.58Å; Y272-F302 AromaticContact CG-CG 3.94Å; Y272-F302 HydrophobicContact CG-CG 3.94Å; Y272-F302 HydrophobicContact CG-CZ 4.23Å; Y272-F302 AromaticContact CZ-CD1 3.77Å; Y272-T303 PolarHBondContact OH-N 2.66Å; Y272-T303 PolarHBondContact OH-O 2.96Å; Y272-V304 HydrophobicContact CE2-CG1 3.88Å; Y272-V330 HydrophobicContact CE2-CB 4.42Å; Y272-V330 HydrophobicContact CE2-CG2 3.89Å
273D81.1Confident88.8Confident122 Ų12235.4 Ų35.465%0.65219%0.185SC*.Hα-helixtrans-59.9-37.9178.9-70.6-23.4000111L271 T276L271-D273 PolarHBondContact O-N 3.07Å; D273-T276 PolarHBondContact O-OG1 2.97Å
274T76.5Confident89Confident21 Ų2130.5 Ų30.513%0.12917%0.167CC..Hα-helixtrans-74.4-32.1175.3-29.40000112.6L271 Y272 T276 I277 I411L271-T274 PolarHBondContact O-N 3.32Å; L271-T274 VanDerWaalsContact O-N 3.14Å; Y272-T274 PolarHBondContact O-N 3.1Å; T274-T276 PolarHBondContact O-N 2.85Å; T274-I277 HydrophobicContact CG2-CD1 3.78Å; T274-I277 WeakPolarHBondContact O-CG1 3.39Å; T274-I277 PolarHBondContact O-N 3.36Å; T274-I411 HydrophobicContact CG2-CB 4.21Å; T274-I411 HydrophobicContact CG2-CD1 3.36Å; T274-I411 HydrophobicContact CG2-CG1 4.34Å
275L73.2Confident89Confident1 Ų132.6 Ų32.61%0.00518%0.178CC..Hα-helixtrans-59.3-35.1174.6-71.3171.6000112.3L268 L271 Y272 I277 A280 I282 V330 L348 I350L268-L275 HydrophobicContact CD1-CD1 3.78Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 2.79Å; Y272-L275 HydrophobicContact CD2-CD1 4.31Å; Y272-L275 WeakPolarHBondContact O-CB 3.34Å; Y272-L275 PolarHBondContact O-N 3.5Å; L275-I277 VanDerWaalsContact C-N 3.34Å; L275-I277 PolarHBondContact O-N 2.94Å; L275-A280 HydrophobicContact CB-CB 4.28Å; L275-A280 HydrophobicContact CD2-CB 3.53Å; L275-A280 HydrophobicContact CG-CB 4.45Å; L275-I282 HydrophobicContact CD1-CD1 4.46Å; L275-V330 HydrophobicContact CB-CG2 4.26Å; L275-L348 HydrophobicContact CD2-CB 4.46Å; L275-L348 HydrophobicContact CD2-CD2 3.19Å; L275-L348 HydrophobicContact CD2-CG 3.55Å; L275-L348 HydrophobicContact CG-CD2 4.2Å; L275-I350 HydrophobicContact CD1-CD1 3.69Å; L275-I350 HydrophobicContact CD2-CD1 3.45Å; L275-I350 VanDerWaalsContact CD2-CD1 3.45Å; L275-I350 HydrophobicContact CD2-CG1 4.04Å; L275-I350 HydrophobicContact CG-CD1 4.09Å
276T75.7Confident89Confident54 Ų5435.3 Ų35.333%0.33120%0.196SC..THydrogen-bonded Turntrans-79.1-11.6-173.564.40000115.1Y272 D273 T274 T278Y272-T276 HydrophobicContact CD1-CG2 3.89Å; Y272-T276 HydrophobicContact CE1-CG2 3.38Å; Y272-T276 WeakPolarHBondContact O-CG2 3.31Å; Y272-T276 PolarHBondContact O-N 3Å; D273-T276 PolarHBondContact O-OG1 2.97Å; T274-T276 PolarHBondContact O-N 2.85Å; T276-T278 PolarHBondContact O-N 3.41Å
277I77.6Confident89.1Confident99 Ų9935.6 Ų35.651%0.50819%0.193SC..THydrogen-bonded Turntrans-56.8-37174.1-59.2176.4000110T274 L275 I411T274-I277 HydrophobicContact CG2-CD1 3.78Å; T274-I277 WeakPolarHBondContact O-CG1 3.39Å; T274-I277 PolarHBondContact O-N 3.36Å; L275-I277 VanDerWaalsContact C-N 3.34Å; L275-I277 PolarHBondContact O-N 2.94Å; I277-I411 HydrophobicContact CB-CG2 4.48Å; I277-I411 HydrophobicContact CD1-CG2 4.49Å
278T84.1Confident89.3Confident29 Ų2944.5 Ų44.518%0.17822%0.224CC..SBendtrans-130.1-158.8-177.160.60000110.1T276 R329 S347 I411T276-T278 PolarHBondContact O-N 3.41Å; T278-R329 WeakPolarHBondContact O-CD 3.36Å; T278-S347 WeakPolarHBondContact CB-OG 3.35Å; T278-S347 VanDerWaalsContact CG2-OG 3.28Å; T278-S347 WeakPolarHBondContact CG2-OG 3.5Å; T278-S347 PolarHBondContact OG1-OG 3.2Å; T278-I411 HydrophobicContact CG2-CG2 4.46Å
279Q91.6Very high89.5Confident4 Ų446.3 Ų46.32%0.01923%0.232CC..EExtended strand (participates in β ladder)trans-102.7139.3168.9-62.6-169.1-104.700110.2F323 S328 R329 Q345 V346 S347Q279-F323 HydrophobicContact CB-CE2 4.26Å; Q279-F323 HydrophobicContact CB-CZ 4.18Å; Q279-F323 PolarHBondContact NE2-O 2.78Å; Q279-S328 PolarHBondContact NE2-O 2.74Å; Q279-R329 CarbonylContact C-O 3.57Å; Q279-R329 VanDerWaalsContact CA-O 3.25Å; Q279-R329 WeakPolarHBondContact CA-O 3.38Å; Q279-Q345 HydrophobicContact CG-CB 4.33Å; Q279-Q345 PolarHBondContact N-O 2.94Å; Q279-Q345 VanDerWaalsContact OE1-CB 3.25Å; Q279-V346 HydrophobicContact CB-CG2 4.15Å; Q279-V346 WeakPolarHBondContact O-CA 3.4Å; Q279-S347 PolarHBondContact O-N 2.92Å
280A93.2Very high89.7Confident0 Ų045.1 Ų45.10%022%0.224CC..EExtended strand (participates in β ladder)trans-127.1147.2-177.400000112.3L275 R329 L331 L348L275-A280 HydrophobicContact CB-CB 4.28Å; L275-A280 HydrophobicContact CD2-CB 3.53Å; L275-A280 HydrophobicContact CG-CB 4.45Å; A280-R329 PolarHBondContact N-O 3.33Å; A280-L331 PolarHBondContact O-N 2.85Å; A280-L348 WeakPolarHBondContact CA-O 3.36Å; A280-L348 HydrophobicContact CB-CB 4.13Å; A280-L348 HydrophobicContact CB-CG 4.39Å
281V94.5Very high90.1Very high2 Ų242.4 Ų42.41%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-120.2129.5172.2-175.90000109.6F283 F323 L331 V346 L348 I349 I350V281-F283 HydrophobicContact CB-CE2 4.3Å; V281-F283 HydrophobicContact CG1-CD2 4.19Å; V281-F283 HydrophobicContact CG1-CE1 4.01Å; V281-F283 HydrophobicContact CG1-CE2 3.66Å; V281-F283 HydrophobicContact CG1-CZ 3.56Å; V281-F323 HydrophobicContact CG2-CE1 4.01Å; V281-F323 HydrophobicContact CG2-CZ 3.76Å; V281-L331 CarbonylContact C-O 3.49Å; V281-L331 WeakPolarHBondContact CA-O 3.19Å; V281-V346 HydrophobicContact CG2-CG1 3.99Å; V281-V346 HydrophobicContact CG2-CG2 4.07Å; V281-L348 PolarHBondContact N-O 3.16Å; V281-I349 HydrophobicContact CB-CD1 3.84Å; V281-I349 HydrophobicContact CG2-CD1 4.3Å; V281-I349 WeakPolarHBondContact O-CA 3.25Å; V281-I350 PolarHBondContact O-N 3.1Å
282I96.1Very high90.5Very high0 Ų046.4 Ų46.40%022%0.224CC..EExtended strand (participates in β ladder)trans-112.1119.9179.9-53172.4000108.2L268 L275 L293 V330 L331 I332 S333 I350 Y352L268-I282 HydrophobicContact CD1-CD1 3.73Å; L268-I282 HydrophobicContact CD2-CD1 4.02Å; L268-I282 HydrophobicContact CG-CD1 4.43Å; L275-I282 HydrophobicContact CD1-CD1 4.46Å; I282-L293 HydrophobicContact CG2-CD2 4.08Å; I282-V330 HydrophobicContact CD1-CG1 3.5Å; I282-V330 VanDerWaalsContact CD1-CG1 3.5Å; I282-V330 HydrophobicContact CG1-CG1 4.13Å; I282-L331 PolarHBondContact N-O 3.2Å; I282-I332 HydrophobicContact CB-CG1 4.2Å; I282-I332 HydrophobicContact CD1-CG1 4.04Å; I282-I332 CarbonylContact O-C 3.48Å; I282-I332 WeakPolarHBondContact O-CA 3.48Å; I282-S333 PolarHBondContact O-N 2.95Å; I282-I350 CarbonylContact C-O 3.41Å; I282-I350 WeakPolarHBondContact CA-O 3.46Å; I282-I350 HydrophobicContact CB-CB 4.49Å; I282-I350 HydrophobicContact CG1-CB 4.16Å; I282-I350 HydrophobicContact CG2-CB 4.28Å; I282-I350 HydrophobicContact CG2-CG2 4.23Å; I282-Y352 HydrophobicContact CG2-CD2 4.43Å
283F97.3Very high91Very high0 Ų045.6 Ų45.60%022%0.221CC..EExtended strand (participates in β ladder)trans-100.1128.4-178.9-71.3-72.7000112.4V281 S333 W337 A338 I349 I350 Y352 D353 R364 R367V281-F283 HydrophobicContact CB-CE2 4.3Å; V281-F283 HydrophobicContact CG1-CD2 4.19Å; V281-F283 HydrophobicContact CG1-CE1 4.01Å; V281-F283 HydrophobicContact CG1-CE2 3.66Å; V281-F283 HydrophobicContact CG1-CZ 3.56Å; F283-S333 WeakPolarHBondContact CA-O 3.48Å; F283-W337 HydrophobicContact CE1-CB 3.89Å; F283-W337 HydrophobicContact CZ-CB 4.47Å; F283-A338 HydrophobicContact CE1-CB 4.18Å; F283-A338 HydrophobicContact CZ-CB 4.4Å; F283-I349 HydrophobicContact CD2-CG2 3.85Å; F283-I349 HydrophobicContact CE2-CD1 4.48Å; F283-I349 HydrophobicContact CE2-CG2 3.89Å; F283-I350 PolarHBondContact N-O 2.83Å; F283-Y352 WeakPolarHBondContact O-CB 3.39Å; F283-Y352 PolarHBondContact O-N 2.81Å; F283-D353 PolarHBondContact O-N 2.96Å; F283-R364 HydrophobicContact CD1-CG 4.24Å; F283-R364 HydrophobicContact CD2-CB 3.83Å; F283-R364 HydrophobicContact CD2-CG 3.73Å; F283-R364 HydrophobicContact CE1-CG 4.37Å; F283-R364 HydrophobicContact CE2-CB 3.77Å; F283-R364 HydrophobicContact CE2-CG 3.86Å; F283-R364 HydrophobicContact CG-CG 3.92Å; F283-R364 HydrophobicContact CZ-CB 4.43Å; F283-R364 HydrophobicContact CZ-CG 4.19Å; F283-R367 HydrophobicContact CE2-CG 4.45Å; F283-R367 HydrophobicContact CZ-CG 4.11Å
284C97.2Very high91.7Very high0 Ų040 Ų400%019%0.191CC..  trans-117.4151168.5-61.20000110.1T286 K289 V290 S333 T334C284-T286 VanDerWaalsContact C-N 3.35Å; C284-T286 PolarHBondContact O-N 2.92Å; C284-K289 HydrophobicContact CB-CB 4.24Å; C284-K289 HydrophobicContact CB-CG 4.25Å; C284-V290 HydrophobicContact CB-CG2 3.83Å; C284-S333 PolarHBondContact N-O 3.35Å; C284-T334 WeakPolarHBondContact O-CA 3.27Å
285N95.4Very high92.7Very high46 Ų4644.7 Ų44.725%0.24621%0.211CC..SBendtrans-77.7-19.7-176.9-71.5-4000113.5D353 L354 N356 R364N285-D353 HydrophobicContact CB-CB 4.16Å; N285-D353 VanDerWaalsContact CG-CB 3.47Å; N285-D353 PolarHBondContact N-OD2 2.94Å; N285-D353 WeakPolarHBondContact OD1-CB 3.33Å; N285-L354 PolarHBondContact ND2-O 2.91Å; N285-L354 PolarHBondContact OD1-O 3.4Å; N285-N356 PolarHBondContact ND2-OD1 3.47Å; N285-N356 VanDerWaalsContact ND2-OD1 3.15Å; N285-R364 PolarHBondContact OD1-NH2 3.26Å
286T96.1Very high93.9Very high76 Ų7647.3 Ų47.347%0.46622%0.222SC..SBendtrans-130148.4-176.574.10000112.6C284 R288 K289 V290C284-T286 VanDerWaalsContact C-N 3.35Å; C284-T286 PolarHBondContact O-N 2.92Å; T286-R288 PolarHBondContact O-N 2.9Å; T286-K289 PolarHBondContact O-N 2.77Å; T286-K289 VanDerWaalsContact O-N 3.15Å; T286-K289 VanDerWaalsContact OG1-CB 3.23Å; T286-K289 WeakPolarHBondContact OG1-CB 3.43Å; T286-K289 PolarHBondContact OG1-N 3.45Å; T286-V290 PolarHBondContact O-N 3.43Å; T286-V290 VanDerWaalsContact O-N 3.09Å
287K95.7Very high94.9Very high86 Ų8644.7 Ų44.737%0.37421%0.207SC..Hα-helixtrans-59.9-46.4177.9-58.4-179.4-95.6167.40111.6K289 V290 D291 H308 D310 T334K287-K289 PolarHBondContact O-N 2.67Å; K287-V290 WeakPolarHBondContact O-CA 3.46Å; K287-V290 WeakPolarHBondContact O-CB 3.3Å; K287-V290 PolarHBondContact O-N 2.78Å; K287-D291 PolarHBondContact O-N 3.12Å; K287-H308 HydrophobicContact CB-CB 4.31Å; K287-H308 HydrophobicContact CG-CB 3.98Å; K287-D310 HydrophobicContact CD-CB 4.31Å; K287-D310 WeakPolarHBondContact CD-OD2 3.37Å; K287-D310 WeakPolarHBondContact CE-OD2 3.37Å; K287-D310 IonicContact NZ-OD1 2.74Å; K287-D310 PolarHBondContact NZ-OD1 3.31Å; K287-D310 IonicContact NZ-OD2 3.3Å; K287-D310 PolarHBondContact NZ-OD2 2.97Å; K287-T334 HydrophobicContact CG-CG2 4.07Å
288R96.9Very high95.8Very high213 Ų21346.5 Ų46.580%0.80421%0.207SC*.Hα-helixtrans-55.6-37175.4-178.3178.8173.2-174.2-2112.6T286 W292T286-R288 PolarHBondContact O-N 2.9Å; R288-W292 WeakPolarHBondContact O-CB 3.16Å; R288-W292 PolarHBondContact O-N 3.45Å
289K97.2Very high96.4Very high38 Ų3851.6 Ų51.617%0.16523%0.229CC..Hα-helixtrans-75.7-33.1178.6-167.5166.9-177.4178.90112.6E261 C284 T286 K287 D291 W292 L293 Y352 D353E261-K289 IonicContact OE1-NZ 3.33Å; E261-K289 PolarHBondContact OE1-NZ 3.04Å; C284-K289 HydrophobicContact CB-CB 4.24Å; C284-K289 HydrophobicContact CB-CG 4.25Å; T286-K289 PolarHBondContact O-N 2.77Å; T286-K289 VanDerWaalsContact O-N 3.15Å; T286-K289 VanDerWaalsContact OG1-CB 3.23Å; T286-K289 WeakPolarHBondContact OG1-CB 3.43Å; T286-K289 PolarHBondContact OG1-N 3.45Å; K287-K289 PolarHBondContact O-N 2.67Å; K289-D291 VanDerWaalsContact C-N 3.34Å; K289-W292 HydrophobicContact CG-CE3 4.07Å; K289-L293 VanDerWaalsContact O-CB 3.23Å; K289-L293 WeakPolarHBondContact O-CB 3.22Å; K289-L293 PolarHBondContact O-N 3.02Å; K289-Y352 VanDerWaalsContact CE-CE1 3.42Å; K289-D353 WeakPolarHBondContact CD-OD2 3.37Å; K289-D353 IonicContact NZ-OD1 2.59Å; K289-D353 PolarHBondContact NZ-OD1 2.84Å; K289-D353 IonicContact NZ-OD2 3.02Å; K289-D353 PolarHBondContact NZ-OD2 3.39Å
290V97.7Very high96.5Very high0 Ų053.4 Ų53.40%025%0.245CC..Hα-helixtrans-58.5-48.6168.5170.50000110.1C284 T286 K287 L293 T294 I332 T334C284-V290 HydrophobicContact CB-CG2 3.83Å; T286-V290 PolarHBondContact O-N 3.43Å; T286-V290 VanDerWaalsContact O-N 3.09Å; K287-V290 WeakPolarHBondContact O-CA 3.46Å; K287-V290 WeakPolarHBondContact O-CB 3.3Å; K287-V290 PolarHBondContact O-N 2.78Å; V290-L293 PolarHBondContact O-N 3.3Å; V290-T294 VanDerWaalsContact O-CB 3.29Å; V290-T294 WeakPolarHBondContact O-CB 3.4Å; V290-T294 PolarHBondContact O-N 3.24Å; V290-T294 PolarHBondContact O-OG1 3.36Å; V290-I332 HydrophobicContact CB-CG2 4.34Å; V290-I332 HydrophobicContact CG1-CB 4.46Å; V290-I332 HydrophobicContact CG1-CG2 3.99Å; V290-I332 HydrophobicContact CG2-CG2 4.26Å; V290-T334 HydrophobicContact CG2-CG2 3.63Å
291D97.6Very high96.6Very high71 Ų7160.5 Ų60.538%0.3828%0.282SS..Hα-helixtrans-61.7-50.4178.7-64.5-34.2000111.7K287 K289 L293 T294 E295 H308K287-D291 PolarHBondContact O-N 3.12Å; K289-D291 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 2.77Å; D291-T294 WeakPolarHBondContact O-CB 3.01Å; D291-T294 PolarHBondContact O-N 2.96Å; D291-E295 PolarHBondContact O-N 3.04Å; D291-H308 IonicContact OD1-CD2 2.95Å; D291-H308 PolarHBondContact OD1-CD2 2.8Å; D291-H308 IonicContact OD1-NE2 3.98Å; D291-H308 PolarHBondContact OD1-NE2 3.41Å; D291-H308 IonicContact OD2-NE2 3.96Å; D291-H308 PolarHBondContact OD2-NE2 2.63Å
292W98Very high96.6Very high96 Ų9662.3 Ų62.336%0.36429%0.29SS..Hα-helixtrans-56.8-48.3177.7169.279000112.4R288 K289 T294 E295 K296 Y352R288-W292 WeakPolarHBondContact O-CB 3.16Å; R288-W292 PolarHBondContact O-N 3.45Å; K289-W292 HydrophobicContact CG-CE3 4.07Å; W292-T294 VanDerWaalsContact C-N 3.31Å; W292-T294 PolarHBondContact O-N 3.24Å; W292-E295 PolarHBondContact O-N 3.05Å; W292-K296 HydrophobicContact CH2-CD 4.17Å; W292-K296 HydrophobicContact CZ2-CD 3.64Å; W292-K296 WeakPolarHBondContact O-CB 3.5Å; W292-K296 PolarHBondContact O-N 3.26Å; W292-Y352 HydrophobicContact CZ3-CE1 4.29Å
293L97.9Very high96.5Very high0 Ų067.7 Ų67.70%032%0.323CS..Hα-helixtrans-66-38.6-179.4-174.561.9000110.7F265 L268 I282 K289 V290 D291 K296 M297 I332 Y352F265-L293 HydrophobicContact CD2-CD1 3.88Å; F265-L293 HydrophobicContact CE2-CD1 4.44Å; L268-L293 HydrophobicContact CD2-CD1 3.95Å; L268-L293 HydrophobicContact CD2-CD2 4.07Å; L268-L293 HydrophobicContact CD2-CG 4.33Å; I282-L293 HydrophobicContact CG2-CD2 4.08Å; K289-L293 VanDerWaalsContact O-CB 3.23Å; K289-L293 WeakPolarHBondContact O-CB 3.22Å; K289-L293 PolarHBondContact O-N 3.02Å; V290-L293 PolarHBondContact O-N 3.3Å; D291-L293 PolarHBondContact O-N 2.77Å; L293-K296 PolarHBondContact O-N 2.88Å; L293-M297 HydrophobicContact CD1-CG 4.22Å; L293-M297 HydrophobicContact CG-CG 4.29Å; L293-M297 VanDerWaalsContact O-CB 3.3Å; L293-M297 WeakPolarHBondContact O-CB 3.43Å; L293-M297 WeakPolarHBondContact O-CG 3.28Å; L293-M297 PolarHBondContact O-N 3.14Å; L293-I332 HydrophobicContact CD2-CD1 4.27Å; L293-I332 HydrophobicContact CD2-CG2 4Å; L293-I332 HydrophobicContact CG-CD1 4.06Å; L293-Y352 HydrophobicContact CD1-CD2 4.39Å; L293-Y352 HydrophobicContact CD1-CE2 3.75Å; L293-Y352 HydrophobicContact CD2-CD2 3.73Å; L293-Y352 HydrophobicContact CD2-CE2 3.94Å; L293-Y352 HydrophobicContact CD2-CG 4.05Å
294T97.5Very high96.4Very high5 Ų568 Ų683%0.03133%0.325CS..Hα-helixtrans-61.6-47.5176.8-57.60000111.5V290 D291 W292 R298 V304 S306V290-T294 VanDerWaalsContact O-CB 3.29Å; V290-T294 WeakPolarHBondContact O-CB 3.4Å; V290-T294 PolarHBondContact O-N 3.24Å; V290-T294 PolarHBondContact O-OG1 3.36Å; D291-T294 WeakPolarHBondContact O-CB 3.01Å; D291-T294 PolarHBondContact O-N 2.96Å; W292-T294 VanDerWaalsContact C-N 3.31Å; W292-T294 PolarHBondContact O-N 3.24Å; T294-R298 VanDerWaalsContact CG2-CZ 3.49Å; T294-R298 WeakPolarHBondContact O-CB 3.34Å; T294-R298 VanDerWaalsContact O-CG 3.27Å; T294-R298 WeakPolarHBondContact O-CG 3.29Å; T294-R298 PolarHBondContact O-N 3.48Å; T294-V304 HydrophobicContact CG2-CG2 4.06Å; T294-S306 WeakPolarHBondContact CG2-OG 3.21Å; T294-S306 WeakPolarHBondContact OG1-CB 3.27Å; T294-S306 PolarHBondContact OG1-OG 3.12Å
295E97.5Very high96.3Very high118 Ų11868.6 Ų68.655%0.55133%0.329SS*.Hα-helixtrans-60.9-50.8177.8-174.8171.3-151.800110.5D291 W292 M297 R298 E299D291-E295 PolarHBondContact O-N 3.04Å; W292-E295 PolarHBondContact O-N 3.05Å; E295-M297 VanDerWaalsContact C-N 3.34Å; E295-M297 PolarHBondContact O-N 2.99Å; E295-R298 PolarHBondContact O-N 2.83Å; E295-R298 VanDerWaalsContact O-N 3.08Å; E295-E299 WeakPolarHBondContact O-CG 3.38Å; E295-E299 PolarHBondContact O-N 3.4Å
296K96.7Very high96.3Very high56 Ų5666.9 Ų66.924%0.24332%0.321CS..Hα-helixtrans-62-39-178.9-147-172.4-178.3-1530113F265 W292 L293 A300F265-K296 HydrophobicContact CD1-CD 4.05Å; F265-K296 VanDerWaalsContact CD1-NZ 3.27Å; F265-K296 HydrophobicContact CD2-CB 4.4Å; F265-K296 HydrophobicContact CD2-CD 3.73Å; F265-K296 HydrophobicContact CD2-CG 4.29Å; F265-K296 HydrophobicContact CE1-CD 4.03Å; F265-K296 HydrophobicContact CE1-CG 4.22Å; F265-K296 HydrophobicContact CE2-CB 3.78Å; F265-K296 HydrophobicContact CE2-CD 3.72Å; F265-K296 HydrophobicContact CE2-CG 3.76Å; F265-K296 HydrophobicContact CG-CD 3.88Å; F265-K296 HydrophobicContact CZ-CB 4.15Å; F265-K296 HydrophobicContact CZ-CD 3.86Å; F265-K296 HydrophobicContact CZ-CG 3.71Å; W292-K296 HydrophobicContact CH2-CD 4.17Å; W292-K296 HydrophobicContact CZ2-CD 3.64Å; W292-K296 WeakPolarHBondContact O-CB 3.5Å; W292-K296 PolarHBondContact O-N 3.26Å; L293-K296 PolarHBondContact O-N 2.88Å; K296-A300 PolarHBondContact O-N 2.95Å; K296-A300 VanDerWaalsContact O-N 3.14Å
297M96.8Very high96.2Very high0 Ų063.2 Ų63.20%030%0.299CS..Hα-helixtrans-65.1-41.6174.3-72.6-65.9-73.900111.5F265 L268 Y272 L293 E295 A300 N301 F302 V304 I332F265-M297 HydrophobicContact CD2-SD 4.26Å; F265-M297 HydrophobicContact CE2-CG 4.1Å; F265-M297 HydrophobicContact CE2-SD 3.66Å; F265-M297 HydrophobicContact CZ-SD 4.46Å; L268-M297 HydrophobicContact CD2-CE 4.09Å; L268-M297 HydrophobicContact CD2-CG 4.38Å; L268-M297 HydrophobicContact CD2-SD 3.72Å; L268-M297 HydrophobicContact CG-CE 4.14Å; L268-M297 HydrophobicContact CG-SD 4.14Å; Y272-M297 HydrophobicContact CD2-CE 3.37Å; Y272-M297 HydrophobicContact CE2-CE 3.73Å; Y272-M297 HydrophobicContact CG-CE 4.32Å; L293-M297 HydrophobicContact CD1-CG 4.22Å; L293-M297 HydrophobicContact CG-CG 4.29Å; L293-M297 VanDerWaalsContact O-CB 3.3Å; L293-M297 WeakPolarHBondContact O-CB 3.43Å; L293-M297 WeakPolarHBondContact O-CG 3.28Å; L293-M297 PolarHBondContact O-N 3.14Å; E295-M297 VanDerWaalsContact C-N 3.34Å; E295-M297 PolarHBondContact O-N 2.99Å; M297-A300 CarbonylContact O-C 3.59Å; M297-A300 PolarHBondContact O-N 3.26Å; M297-N301 PolarHBondContact O-N 2.83Å; M297-F302 HydrophobicContact CB-CB 4.34Å; M297-F302 HydrophobicContact CE-CB 3.86Å; M297-F302 HydrophobicContact CE-CD2 3.67Å; M297-F302 HydrophobicContact CE-CE2 4.44Å; M297-F302 HydrophobicContact CE-CG 3.91Å; M297-F302 WeakPolarHBondContact O-CB 3.29Å; M297-F302 PolarHBondContact O-N 2.83Å; M297-F302 HydrophobicContact SD-CD2 4Å; M297-V304 HydrophobicContact CB-CG1 4.17Å; M297-V304 HydrophobicContact CB-CG2 3.82Å; M297-V304 HydrophobicContact CE-CG1 4.18Å; M297-I332 HydrophobicContact CG-CD1 4.33Å
298R96.7Very high96.1Very high136 Ų13659.7 Ų59.751%0.51328%0.283SS..Hα-helixtrans-68.3-38.9177.8-73.5172178.3172.70.5112.4T294 E295 A300 N301 V304T294-R298 VanDerWaalsContact CG2-CZ 3.49Å; T294-R298 WeakPolarHBondContact O-CB 3.34Å; T294-R298 VanDerWaalsContact O-CG 3.27Å; T294-R298 WeakPolarHBondContact O-CG 3.29Å; T294-R298 PolarHBondContact O-N 3.48Å; E295-R298 PolarHBondContact O-N 2.83Å; E295-R298 VanDerWaalsContact O-N 3.08Å; R298-A300 PolarHBondContact O-N 2.78Å; R298-N301 WeakPolarHBondContact O-CA 3.24Å; R298-N301 PolarHBondContact O-N 3.27Å; R298-V304 HydrophobicContact CG-CG2 4.04Å; R298-V304 PolarHBondContact NE-O 2.96Å; R298-V304 PolarHBondContact NH2-O 3.07Å
299E96.7Very high95.6Very high137 Ų13751 Ų5164%0.6426%0.26SS*.Hα-helixtrans-60.4-34.2172.4-72.5177.4168.200112E295 N301E295-E299 WeakPolarHBondContact O-CG 3.38Å; E295-E299 PolarHBondContact O-N 3.4Å; E299-N301 PolarHBondContact O-N 2.72Å
300A95Very high95.3Very high42 Ų4254.4 Ų54.435%0.34728%0.28SS..THydrogen-bonded Turntrans-79.811.1172.600000114F265 K296 M297 R298 F302F265-A300 HydrophobicContact CZ-CB 4.19Å; K296-A300 PolarHBondContact O-N 2.95Å; K296-A300 VanDerWaalsContact O-N 3.14Å; M297-A300 CarbonylContact O-C 3.59Å; M297-A300 PolarHBondContact O-N 3.26Å; R298-A300 PolarHBondContact O-N 2.78Å; A300-F302 VanDerWaalsContact C-N 3.34Å; A300-F302 HydrophobicContact CB-CD2 3.82Å; A300-F302 HydrophobicContact CB-CE2 3.96Å; A300-F302 PolarHBondContact O-N 2.81Å
301N93.9Very high95.1Very high148 Ų14855.4 Ų55.479%0.79129%0.285SS*.THydrogen-bonded Turntrans66.123.3-178.8-58.3-63.5000115.7M297 R298 E299M297-N301 PolarHBondContact O-N 2.83Å; R298-N301 WeakPolarHBondContact O-CA 3.24Å; R298-N301 PolarHBondContact O-N 3.27Å; E299-N301 PolarHBondContact O-N 2.72Å
302F94.2Very high94.8Very high40 Ų4056 Ų5618%0.17529%0.293CS..  trans-90.5132.4172.2-62.7-58.6000112.2C269 Y272 M297 A300 V304C269-F302 HydrophobicContact CB-CE2 3.88Å; C269-F302 HydrophobicContact CB-CZ 4.21Å; Y272-F302 AromaticContact CD1-CD1 3.1Å; Y272-F302 HydrophobicContact CD1-CD1 3.1Å; Y272-F302 AromaticContact CD1-CE1 3.33Å; Y272-F302 HydrophobicContact CD1-CE1 3.33Å; Y272-F302 AromaticContact CD1-CG 4Å; Y272-F302 HydrophobicContact CD1-CG 4Å; Y272-F302 HydrophobicContact CD1-CZ 4.38Å; Y272-F302 HydrophobicContact CD2-CB 4.16Å; Y272-F302 AromaticContact CD2-CD1 3.93Å; Y272-F302 HydrophobicContact CD2-CD1 3.93Å; Y272-F302 HydrophobicContact CD2-CE1 4.43Å; Y272-F302 AromaticContact CD2-CG 3.99Å; Y272-F302 HydrophobicContact CD2-CG 3.99Å; Y272-F302 HydrophobicContact CE1-CB 4.14Å; Y272-F302 AromaticContact CE1-CD1 3.29Å; Y272-F302 HydrophobicContact CE1-CD1 3.29Å; Y272-F302 AromaticContact CE1-CE1 3.99Å; Y272-F302 HydrophobicContact CE1-CE1 3.99Å; Y272-F302 HydrophobicContact CE1-CG 4.05Å; Y272-F302 HydrophobicContact CE2-CB 3.72Å; Y272-F302 HydrophobicContact CE2-CD1 4.07Å; Y272-F302 HydrophobicContact CE2-CG 4.03Å; Y272-F302 AromaticContact CG-CD1 3.43Å; Y272-F302 HydrophobicContact CG-CD1 3.43Å; Y272-F302 VanDerWaalsContact CG-CD1 3.43Å; Y272-F302 AromaticContact CG-CE1 3.58Å; Y272-F302 HydrophobicContact CG-CE1 3.58Å; Y272-F302 AromaticContact CG-CG 3.94Å; Y272-F302 HydrophobicContact CG-CG 3.94Å; Y272-F302 HydrophobicContact CG-CZ 4.23Å; Y272-F302 AromaticContact CZ-CD1 3.77Å; M297-F302 HydrophobicContact CB-CB 4.34Å; M297-F302 HydrophobicContact CE-CB 3.86Å; M297-F302 HydrophobicContact CE-CD2 3.67Å; M297-F302 HydrophobicContact CE-CE2 4.44Å; M297-F302 HydrophobicContact CE-CG 3.91Å; M297-F302 WeakPolarHBondContact O-CB 3.29Å; M297-F302 PolarHBondContact O-N 2.83Å; M297-F302 HydrophobicContact SD-CD2 4Å; A300-F302 VanDerWaalsContact C-N 3.34Å; A300-F302 HydrophobicContact CB-CD2 3.82Å; A300-F302 HydrophobicContact CB-CE2 3.96Å; A300-F302 PolarHBondContact O-N 2.81Å; F302-V304 HydrophobicContact CB-CG1 4.48Å; F302-V304 PolarHBondContact O-N 2.98Å
303T93.8Very high94.4Very high114 Ų11452.1 Ų52.170%0.69928%0.278SS*.  trans-8597.7178.6-59.60000110.8Y272Y272-T303 PolarHBondContact OH-N 2.66Å; Y272-T303 PolarHBondContact OH-O 2.96Å
304V95.2Very high94.2Very high5 Ų560.7 Ų60.73%0.0332%0.316CS..  trans-120.5143.2179.9-62.10000112.3Y272 T294 M297 R298 F302 V330 I332Y272-V304 HydrophobicContact CE2-CG1 3.88Å; T294-V304 HydrophobicContact CG2-CG2 4.06Å; M297-V304 HydrophobicContact CB-CG1 4.17Å; M297-V304 HydrophobicContact CB-CG2 3.82Å; M297-V304 HydrophobicContact CE-CG1 4.18Å; R298-V304 HydrophobicContact CG-CG2 4.04Å; R298-V304 PolarHBondContact NE-O 2.96Å; R298-V304 PolarHBondContact NH2-O 3.07Å; F302-V304 HydrophobicContact CB-CG1 4.48Å; F302-V304 PolarHBondContact O-N 2.98Å; V304-V330 HydrophobicContact CG1-CB 4.11Å; V304-V330 HydrophobicContact CG1-CG1 3.97Å; V304-I332 HydrophobicContact CB-CD1 4.06Å; V304-I332 HydrophobicContact CG1-CD1 4.34Å; V304-I332 HydrophobicContact CG2-CD1 3.96Å
305S95.7Very high94Very high14 Ų1464.8 Ų64.810%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-97.7155.5164.2-63.80000109.7S328 V330 L331 I332S305-S328 VanDerWaalsContact CB-OG 3.26Å; S305-S328 WeakPolarHBondContact CB-OG 3.48Å; S305-S328 WeakPolarHBondContact OG-CB 3.34Å; S305-S328 PolarHBondContact OG-OG 3.27Å; S305-V330 PolarHBondContact N-O 2.97Å; S305-L331 CarbonylContact O-C 3.52Å; S305-L331 WeakPolarHBondContact O-CA 3.4Å; S305-I332 PolarHBondContact O-N 3Å
306S96.1Very high93.6Very high9 Ų959.7 Ų59.76%0.06331%0.31CS..EExtended strand (participates in β ladder)trans-142.6151.5176.660.20000111.9T294 I319 I332T294-S306 WeakPolarHBondContact CG2-OG 3.21Å; T294-S306 WeakPolarHBondContact OG1-CB 3.27Å; T294-S306 PolarHBondContact OG1-OG 3.12Å; S306-I319 WeakPolarHBondContact O-CD1 3.49Å; S306-I332 CarbonylContact C-O 3.5Å; S306-I332 WeakPolarHBondContact CA-O 3.14Å; S306-I332 WeakPolarHBondContact CB-O 3.37Å
307M93.1Very high93.3Very high0 Ų061.3 Ų61.30%032%0.319CS..EExtended strand (participates in β ladder)trans-149.9139.8176.5-159.4-157.6-48.600112.5M311 R316 I319 M320 L331 I332 S333 W337M307-M311 VanDerWaalsContact CA-SD 3.58Å; M307-M311 HydrophobicContact CB-SD 4.38Å; M307-M311 HydrophobicContact CG-SD 4.07Å; M307-R316 HydrophobicContact CG-CB 4.28Å; M307-R316 HydrophobicContact CG-CG 3.82Å; M307-R316 HydrophobicContact SD-CB 3.67Å; M307-R316 HydrophobicContact SD-CG 3.68Å; M307-I319 HydrophobicContact CB-CG2 4.38Å; M307-I319 HydrophobicContact CE-CB 4.28Å; M307-I319 HydrophobicContact CE-CG2 4.03Å; M307-M320 HydrophobicContact CE-CG 3.64Å; M307-M320 HydrophobicContact CE-SD 3.93Å; M307-L331 HydrophobicContact CB-CD1 4.32Å; M307-I332 PolarHBondContact N-O 3.41Å; M307-S333 WeakPolarHBondContact O-CA 3.45Å; M307-S333 WeakPolarHBondContact O-CB 3.25Å; M307-S333 PolarHBondContact O-OG 3.24Å; M307-W337 HydrophobicContact CE-CZ2 3.31Å; M307-W337 PolarHBondContact SD-NE1 3.04Å
308H93.1Very high93.1Very high12 Ų1263.9 Ų63.96%0.05634%0.337CS..  trans-151.3175.9169.861.952000113.2K287 D291 D310 M311 T334K287-H308 HydrophobicContact CB-CB 4.31Å; K287-H308 HydrophobicContact CG-CB 3.98Å; D291-H308 IonicContact OD1-CD2 2.95Å; D291-H308 PolarHBondContact OD1-CD2 2.8Å; D291-H308 IonicContact OD1-NE2 3.98Å; D291-H308 PolarHBondContact OD1-NE2 3.41Å; D291-H308 IonicContact OD2-NE2 3.96Å; D291-H308 PolarHBondContact OD2-NE2 2.63Å; H308-D310 VanDerWaalsContact C-N 3.29Å; H308-D310 PolarHBondContact ND1-N 2.8Å; H308-D310 PolarHBondContact O-N 3.42Å; H308-D310 VanDerWaalsContact O-N 3.16Å; H308-M311 PolarHBondContact O-N 3.32Å; H308-T334 HydrophobicContact CB-CG2 4.08Å
309G87.5Confident92.9Very high30 Ų3058.3 Ų58.331%0.30932%0.317SS..THydrogen-bonded Turntrans-56-32.3-172.800000116.4M311 R316G309-M311 VanDerWaalsContact C-N 3.34Å; G309-R316 PolarHBondContact O-NH1 2.86Å
310D91Very high92.5Very high109 Ų10952.4 Ų52.458%0.58329%0.289SS*.THydrogen-bonded Turntrans-81.5-9.2-176.1-66.1-4000114.3K287 H308K287-D310 HydrophobicContact CD-CB 4.31Å; K287-D310 WeakPolarHBondContact CD-OD2 3.37Å; K287-D310 WeakPolarHBondContact CE-OD2 3.37Å; K287-D310 IonicContact NZ-OD1 2.74Å; K287-D310 PolarHBondContact NZ-OD1 3.31Å; K287-D310 IonicContact NZ-OD2 3.3Å; K287-D310 PolarHBondContact NZ-OD2 2.97Å; H308-D310 VanDerWaalsContact C-N 3.29Å; H308-D310 PolarHBondContact ND1-N 2.8Å; H308-D310 PolarHBondContact O-N 3.42Å; H308-D310 VanDerWaalsContact O-N 3.16Å
311M92.2Very high92.4Very high22 Ų2258 Ų5811%0.10831%0.306CS..SBendtrans-72144.9178.8-69.8176.3179.200111.4M307 H308 G309 R316 I319M307-M311 VanDerWaalsContact CA-SD 3.58Å; M307-M311 HydrophobicContact CB-SD 4.38Å; M307-M311 HydrophobicContact CG-SD 4.07Å; H308-M311 PolarHBondContact O-N 3.32Å; G309-M311 VanDerWaalsContact C-N 3.34Å; M311-R316 HydrophobicContact CB-CG 3.92Å; M311-R316 WeakPolarHBondContact O-CD 3.29Å; M311-I319 HydrophobicContact SD-CD1 4.37Å
312P93Very high92.3Very high84 Ų8454.7 Ų54.755%0.54529%0.286SS..  trans-53.5145.2172.2-25.233.6000112.9K314 E315 R316P312-K314 VanDerWaalsContact C-N 3.3Å; P312-K314 PolarHBondContact O-N 3.01Å; P312-E315 HydrophobicContact CB-CB 4.46Å; P312-E315 WeakPolarHBondContact CD-OE2 3.42Å; P312-E315 WeakPolarHBondContact O-CB 3.48Å; P312-E315 PolarHBondContact O-N 3.38Å; P312-E315 VanDerWaalsContact O-N 3.09Å; P312-R316 PolarHBondContact O-N 2.93Å; P312-R316 VanDerWaalsContact O-N 3.11Å
313Q89.1Confident92.2Very high13 Ų1352.8 Ų52.86%0.06128%0.277CS..Hα-helixtrans-58.4-39.9-176.1-174.657.134.300113.3E315 R316 E317Q313-E315 VanDerWaalsContact C-N 3.3Å; Q313-E315 PolarHBondContact O-N 2.87Å; Q313-R316 PolarHBondContact O-N 2.81Å; Q313-E317 WeakPolarHBondContact CG-OE1 2.98Å; Q313-E317 PolarHBondContact NE2-OE1 2.84Å; Q313-E317 WeakPolarHBondContact O-CG 3.46Å; Q313-E317 PolarHBondContact O-N 2.71Å
314K92.7Very high92Very high181 Ų18152.1 Ų52.179%0.78726%0.262SS*.Hα-helixtrans-61.9-38.1178.1-70.1-173.3176.7-177.60112.7P312 S318P312-K314 VanDerWaalsContact C-N 3.3Å; P312-K314 PolarHBondContact O-N 3.01Å; K314-S318 PolarHBondContact O-N 2.74Å
315E93.4Very high91.8Very high90 Ų9056 Ų5642%0.42129%0.289SS..Hα-helixtrans-69.6-46.1179.1-177.2174.3178.100110.5P312 Q313 E317 S318 I319P312-E315 HydrophobicContact CB-CB 4.46Å; P312-E315 WeakPolarHBondContact CD-OE2 3.42Å; P312-E315 WeakPolarHBondContact O-CB 3.48Å; P312-E315 PolarHBondContact O-N 3.38Å; P312-E315 VanDerWaalsContact O-N 3.09Å; Q313-E315 VanDerWaalsContact C-N 3.3Å; Q313-E315 PolarHBondContact O-N 2.87Å; E315-E317 VanDerWaalsContact C-N 3.28Å; E315-E317 PolarHBondContact O-N 2.87Å; E315-S318 WeakPolarHBondContact O-CB 3.38Å; E315-S318 PolarHBondContact O-N 2.97Å; E315-S318 VanDerWaalsContact O-N 3.08Å; E315-I319 HydrophobicContact CG-CD1 3.92Å; E315-I319 WeakPolarHBondContact O-CG1 3.2Å; E315-I319 PolarHBondContact O-N 3.21Å
316R90.6Very high91.5Very high12 Ų1256.1 Ų56.15%0.04529%0.293CS..Hα-helixtrans-53.9-45.3174.1-66173.160.4153.32.8111.8E117 M307 G309 M311 P312 Q313 I319 M320E117-R316 IonicContact OE1-CZ 2.68Å; E117-R316 IonicContact OE1-NE 2.65Å; E117-R316 PolarHBondContact OE1-NE 3.35Å; E117-R316 IonicContact OE1-NH2 2.75Å; E117-R316 PolarHBondContact OE1-NH2 2.82Å; E117-R316 IonicContact OE2-CZ 2.99Å; E117-R316 IonicContact OE2-NH2 3.06Å; E117-R316 PolarHBondContact OE2-NH2 3.18Å; M307-R316 HydrophobicContact CG-CB 4.28Å; M307-R316 HydrophobicContact CG-CG 3.82Å; M307-R316 HydrophobicContact SD-CB 3.67Å; M307-R316 HydrophobicContact SD-CG 3.68Å; G309-R316 PolarHBondContact O-NH1 2.86Å; M311-R316 HydrophobicContact CB-CG 3.92Å; M311-R316 WeakPolarHBondContact O-CD 3.29Å; P312-R316 PolarHBondContact O-N 2.93Å; P312-R316 VanDerWaalsContact O-N 3.11Å; Q313-R316 PolarHBondContact O-N 2.81Å; R316-I319 PolarHBondContact O-N 3.33Å; R316-M320 WeakPolarHBondContact O-CB 3.49Å; R316-M320 WeakPolarHBondContact O-CG 3.37Å; R316-M320 PolarHBondContact O-N 3.27Å
317E88.9Confident91.4Very high89 Ų8959.4 Ų59.442%0.41632%0.321SS..Hα-helixtrans-65.4-38.6177-74.8169.3-164.700113.3Q313 E315 K321Q313-E317 WeakPolarHBondContact CG-OE1 2.98Å; Q313-E317 PolarHBondContact NE2-OE1 2.84Å; Q313-E317 WeakPolarHBondContact O-CG 3.46Å; Q313-E317 PolarHBondContact O-N 2.71Å; E315-E317 VanDerWaalsContact C-N 3.28Å; E315-E317 PolarHBondContact O-N 2.87Å; E317-K321 WeakPolarHBondContact O-CB 3.33Å; E317-K321 PolarHBondContact O-N 3.48Å
318S93.6Very high91.3Very high55 Ų5559.7 Ų59.739%0.38532%0.323SS..Hα-helixtrans-62.6-49.7174.8-161.70000111K314 E315 M320 K321 E322K314-S318 PolarHBondContact O-N 2.74Å; E315-S318 WeakPolarHBondContact O-CB 3.38Å; E315-S318 PolarHBondContact O-N 2.97Å; E315-S318 VanDerWaalsContact O-N 3.08Å; S318-M320 VanDerWaalsContact C-N 3.33Å; S318-M320 PolarHBondContact O-N 3.4Å; S318-K321 WeakPolarHBondContact O-CB 3.42Å; S318-K321 PolarHBondContact O-N 3.46Å; S318-E322 WeakPolarHBondContact O-CG 3.29Å; S318-E322 PolarHBondContact O-N 2.83Å; S318-E322 PolarHBondContact OG-OE1 3.06Å
319I92.8Very high91.3Very high18 Ų1864.6 Ų64.69%0.09234%0.341CS..Hα-helixtrans-63.3-41.2-179.5-64.8175.8000110.6S306 M307 M311 E315 R316 K321 E322 F323 L331S306-I319 WeakPolarHBondContact O-CD1 3.49Å; M307-I319 HydrophobicContact CB-CG2 4.38Å; M307-I319 HydrophobicContact CE-CB 4.28Å; M307-I319 HydrophobicContact CE-CG2 4.03Å; M311-I319 HydrophobicContact SD-CD1 4.37Å; E315-I319 HydrophobicContact CG-CD1 3.92Å; E315-I319 WeakPolarHBondContact O-CG1 3.2Å; E315-I319 PolarHBondContact O-N 3.21Å; R316-I319 PolarHBondContact O-N 3.33Å; I319-K321 VanDerWaalsContact C-N 3.3Å; I319-K321 PolarHBondContact O-N 3Å; I319-E322 PolarHBondContact O-N 3.1Å; I319-F323 VanDerWaalsContact O-CB 3.29Å; I319-F323 WeakPolarHBondContact O-CB 3.5Å; I319-F323 PolarHBondContact O-N 2.89Å; I319-L331 HydrophobicContact CG2-CD1 3.92Å
320M88.6Confident91.7Very high13 Ų1363.2 Ų63.26%0.06433%0.326CS..Hα-helixtrans-57.8-42.9172.3-76.9-78.5-2.300112.3E117 M307 R316 S318 R324 W337 L341E117-M320 HydrophobicContact CB-SD 4.09Å; E117-M320 HydrophobicContact CG-CG 3.94Å; E117-M320 HydrophobicContact CG-SD 3.74Å; M307-M320 HydrophobicContact CE-CG 3.64Å; M307-M320 HydrophobicContact CE-SD 3.93Å; R316-M320 WeakPolarHBondContact O-CB 3.49Å; R316-M320 WeakPolarHBondContact O-CG 3.37Å; R316-M320 PolarHBondContact O-N 3.27Å; S318-M320 VanDerWaalsContact C-N 3.33Å; S318-M320 PolarHBondContact O-N 3.4Å; M320-R324 HydrophobicContact CE-CG 4.18Å; M320-R324 VanDerWaalsContact O-CB 3.3Å; M320-R324 WeakPolarHBondContact O-CB 3.42Å; M320-R324 VanDerWaalsContact O-CG 3.27Å; M320-R324 WeakPolarHBondContact O-CG 3.38Å; M320-R324 PolarHBondContact O-N 3.43Å; M320-W337 HydrophobicContact CE-CH2 3.13Å; M320-W337 HydrophobicContact CE-CZ2 3.42Å; M320-W337 VanDerWaalsContact CE-CZ2 3.42Å; M320-W337 HydrophobicContact CE-CZ3 4.06Å; M320-W337 HydrophobicContact CG-CZ2 4.04Å; M320-W337 HydrophobicContact SD-CH2 3.4Å; M320-W337 WeakPolarHBondContact SD-CH2 3.3Å; M320-W337 HydrophobicContact SD-CZ2 2.95Å; M320-W337 WeakPolarHBondContact SD-CZ2 3.29Å; M320-W337 HydrophobicContact SD-CZ3 4.4Å; M320-L341 HydrophobicContact SD-CD1 4.13Å; M320-L341 HydrophobicContact SD-CD2 4.3Å
321K91.1Very high91.9Very high160 Ų16058 Ų5870%0.69630%0.298SS*.Hα-helixtrans-67.1-47.2-178.8-176.8-175.8176-172.80110.7E317 S318 I319 R324 S325E317-K321 WeakPolarHBondContact O-CB 3.33Å; E317-K321 PolarHBondContact O-N 3.48Å; S318-K321 WeakPolarHBondContact O-CB 3.42Å; S318-K321 PolarHBondContact O-N 3.46Å; I319-K321 VanDerWaalsContact C-N 3.3Å; I319-K321 PolarHBondContact O-N 3Å; K321-R324 PolarHBondContact O-N 2.86Å; K321-S325 WeakPolarHBondContact O-CB 3.49Å; K321-S325 PolarHBondContact O-N 3.48Å; K321-S325 PolarHBondContact O-OG 3.22Å
322E93.4Very high92.1Very high79 Ų7957 Ų5737%0.36929%0.293SS..Hα-helixtrans-62.3-43.2177.8-72.1164.6-148.300112.1S318 I319 S325 G326 A327 S328S318-E322 WeakPolarHBondContact O-CG 3.29Å; S318-E322 PolarHBondContact O-N 2.83Å; S318-E322 PolarHBondContact OG-OE1 3.06Å; I319-E322 PolarHBondContact O-N 3.1Å; E322-S325 PolarHBondContact O-OG 2.7Å; E322-S325 VanDerWaalsContact O-OG 3.06Å; E322-G326 PolarHBondContact O-N 3.41Å; E322-A327 HydrophobicContact CB-CB 4.36Å; E322-A327 WeakPolarHBondContact O-CB 3.21Å; E322-A327 PolarHBondContact O-N 3.03Å; E322-S328 PolarHBondContact O-N 3.26Å
323F92.2Very high92.2Very high0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-67.9-46.3176.5-168.2-113.1000110.9Q279 V281 I319 S325 G326 S328 L331 W337 V343 V346Q279-F323 HydrophobicContact CB-CE2 4.26Å; Q279-F323 HydrophobicContact CB-CZ 4.18Å; Q279-F323 PolarHBondContact NE2-O 2.78Å; V281-F323 HydrophobicContact CG2-CE1 4.01Å; V281-F323 HydrophobicContact CG2-CZ 3.76Å; I319-F323 VanDerWaalsContact O-CB 3.29Å; I319-F323 WeakPolarHBondContact O-CB 3.5Å; I319-F323 PolarHBondContact O-N 2.89Å; F323-S325 VanDerWaalsContact C-N 3.27Å; F323-S325 PolarHBondContact O-N 3.25Å; F323-G326 PolarHBondContact O-N 3.32Å; F323-S328 WeakPolarHBondContact CD2-O 2.95Å; F323-L331 HydrophobicContact CD1-CB 4.48Å; F323-L331 HydrophobicContact CD1-CD2 4.03Å; F323-L331 HydrophobicContact CD2-CB 3.78Å; F323-L331 HydrophobicContact CE1-CB 4.26Å; F323-L331 HydrophobicContact CE1-CD2 4.09Å; F323-L331 HydrophobicContact CE2-CB 3.53Å; F323-L331 HydrophobicContact CG-CB 4.25Å; F323-L331 HydrophobicContact CG-CD2 4.32Å; F323-L331 HydrophobicContact CZ-CB 3.79Å; F323-L331 HydrophobicContact CZ-CD2 4.44Å; F323-W337 AromaticContact CD1-CH2 3.8Å; F323-W337 HydrophobicContact CD1-CH2 3.8Å; F323-W337 HydrophobicContact CD1-CZ3 4.11Å; F323-W337 HydrophobicContact CE1-CH2 4.32Å; F323-W337 HydrophobicContact CE1-CZ3 4.18Å; F323-V343 HydrophobicContact CD1-CG1 4.15Å; F323-V343 HydrophobicContact CD1-CG2 4.02Å; F323-V343 HydrophobicContact CE1-CB 4.28Å; F323-V343 HydrophobicContact CE1-CG1 3.99Å; F323-V343 HydrophobicContact CE1-CG2 4.1Å; F323-V346 HydrophobicContact CE1-CG2 3.73Å; F323-V346 HydrophobicContact CZ-CG2 3.75Å
324R88.7Confident92.5Very high100 Ų10052.8 Ų52.838%0.37727%0.267SS..Hα-helixtrans-61.7-32.7177.3-77.5-178.4-167.9-112.6-0.2113.5M320 K321 G326 D342 V343M320-R324 HydrophobicContact CE-CG 4.18Å; M320-R324 VanDerWaalsContact O-CB 3.3Å; M320-R324 WeakPolarHBondContact O-CB 3.42Å; M320-R324 VanDerWaalsContact O-CG 3.27Å; M320-R324 WeakPolarHBondContact O-CG 3.38Å; M320-R324 PolarHBondContact O-N 3.43Å; K321-R324 PolarHBondContact O-N 2.86Å; R324-G326 PolarHBondContact O-N 2.9Å; R324-D342 PolarHBondContact NH1-O 3.02Å; R324-V343 HydrophobicContact CG-CG2 4.07Å
325S91.1Very high92.3Very high86 Ų8645.7 Ų45.760%0.60124%0.238SC*.THydrogen-bonded Turntrans-79.6-6.3177.671.30000113.5K321 E322 F323 A327K321-S325 WeakPolarHBondContact O-CB 3.49Å; K321-S325 PolarHBondContact O-N 3.48Å; K321-S325 PolarHBondContact O-OG 3.22Å; E322-S325 PolarHBondContact O-OG 2.7Å; E322-S325 VanDerWaalsContact O-OG 3.06Å; F323-S325 VanDerWaalsContact C-N 3.27Å; F323-S325 PolarHBondContact O-N 3.25Å; S325-A327 VanDerWaalsContact C-N 3.26Å; S325-A327 PolarHBondContact O-N 3.04Å
326G90.4Very high91.6Very high17 Ų1743.3 Ų43.318%0.17523%0.229CC..THydrogen-bonded Turntrans74.811.9-174.500000114.4E322 F323 R324 S328E322-G326 PolarHBondContact O-N 3.41Å; F323-G326 PolarHBondContact O-N 3.32Å; R324-G326 PolarHBondContact O-N 2.9Å; G326-S328 VanDerWaalsContact C-N 3.28Å
327A92.7Very high91.1Very high78 Ų7842.9 Ų42.965%0.64523%0.228SC*.SBendtrans-69.1-33.1174.400000110.8E322 S325E322-A327 HydrophobicContact CB-CB 4.36Å; E322-A327 WeakPolarHBondContact O-CB 3.21Å; E322-A327 PolarHBondContact O-N 3.03Å; S325-A327 VanDerWaalsContact C-N 3.26Å; S325-A327 PolarHBondContact O-N 3.04Å
328S92Very high90.3Very high6 Ų638.7 Ų38.74%0.04221%0.208CC..  trans-106.7131.1166-179.30000110.6Q279 S305 E322 F323 G326 V330Q279-S328 PolarHBondContact NE2-O 2.74Å; S305-S328 VanDerWaalsContact CB-OG 3.26Å; S305-S328 WeakPolarHBondContact CB-OG 3.48Å; S305-S328 WeakPolarHBondContact OG-CB 3.34Å; S305-S328 PolarHBondContact OG-OG 3.27Å; E322-S328 PolarHBondContact O-N 3.26Å; F323-S328 WeakPolarHBondContact CD2-O 2.95Å; G326-S328 VanDerWaalsContact C-N 3.28Å; S328-V330 PolarHBondContact OG-O 3.03Å
329R93.4Very high89.5Confident115 Ų11536.8 Ų36.843%0.43419%0.192SC..  trans-92.1-34.2-179.4-65.1-66.5177.5156.90.7112.8T278 Q279 A280T278-R329 WeakPolarHBondContact O-CD 3.36Å; Q279-R329 CarbonylContact C-O 3.57Å; Q279-R329 VanDerWaalsContact CA-O 3.25Å; Q279-R329 WeakPolarHBondContact CA-O 3.38Å; A280-R329 PolarHBondContact N-O 3.33Å
330V94.7Very high88.1Confident0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-121.6123.2-174.9-178.50000109.8Y272 L275 I282 V304 S305 S328Y272-V330 HydrophobicContact CE2-CB 4.42Å; Y272-V330 HydrophobicContact CE2-CG2 3.89Å; L275-V330 HydrophobicContact CB-CG2 4.26Å; I282-V330 HydrophobicContact CD1-CG1 3.5Å; I282-V330 VanDerWaalsContact CD1-CG1 3.5Å; I282-V330 HydrophobicContact CG1-CG1 4.13Å; V304-V330 HydrophobicContact CG1-CB 4.11Å; V304-V330 HydrophobicContact CG1-CG1 3.97Å; S305-V330 PolarHBondContact N-O 2.97Å; S328-V330 PolarHBondContact OG-O 3.03Å
331L95Very high87.5Confident0 Ų035.8 Ų35.80%019%0.189CC..EExtended strand (participates in β ladder)trans-114121.3176.1177.467.6000110.8A280 V281 I282 S305 M307 I319 F323 W337A280-L331 PolarHBondContact O-N 2.85Å; V281-L331 CarbonylContact C-O 3.49Å; V281-L331 WeakPolarHBondContact CA-O 3.19Å; I282-L331 PolarHBondContact N-O 3.2Å; S305-L331 CarbonylContact O-C 3.52Å; S305-L331 WeakPolarHBondContact O-CA 3.4Å; M307-L331 HydrophobicContact CB-CD1 4.32Å; I319-L331 HydrophobicContact CG2-CD1 3.92Å; F323-L331 HydrophobicContact CD1-CB 4.48Å; F323-L331 HydrophobicContact CD1-CD2 4.03Å; F323-L331 HydrophobicContact CD2-CB 3.78Å; F323-L331 HydrophobicContact CE1-CB 4.26Å; F323-L331 HydrophobicContact CE1-CD2 4.09Å; F323-L331 HydrophobicContact CE2-CB 3.53Å; F323-L331 HydrophobicContact CG-CB 4.25Å; F323-L331 HydrophobicContact CG-CD2 4.32Å; F323-L331 HydrophobicContact CZ-CB 3.79Å; F323-L331 HydrophobicContact CZ-CD2 4.44Å; L331-W337 HydrophobicContact CD2-CD2 3.69Å; L331-W337 HydrophobicContact CD2-CE3 3.7Å; L331-W337 HydrophobicContact CD2-CG 4.44Å; L331-W337 HydrophobicContact CD2-CH2 3.42Å; L331-W337 VanDerWaalsContact CD2-CH2 3.42Å; L331-W337 HydrophobicContact CD2-CZ2 3.39Å; L331-W337 HydrophobicContact CD2-CZ3 3.62Å
332I96.8Very high86.8Confident0 Ų029.7 Ų29.70%016%0.164CC..EExtended strand (participates in β ladder)trans-96.2124.9171.8-53.9167.6000108.8I282 V290 L293 M297 V304 S305 S306 M307I282-I332 HydrophobicContact CB-CG1 4.2Å; I282-I332 HydrophobicContact CD1-CG1 4.04Å; I282-I332 CarbonylContact O-C 3.48Å; I282-I332 WeakPolarHBondContact O-CA 3.48Å; V290-I332 HydrophobicContact CB-CG2 4.34Å; V290-I332 HydrophobicContact CG1-CB 4.46Å; V290-I332 HydrophobicContact CG1-CG2 3.99Å; V290-I332 HydrophobicContact CG2-CG2 4.26Å; L293-I332 HydrophobicContact CD2-CD1 4.27Å; L293-I332 HydrophobicContact CD2-CG2 4Å; L293-I332 HydrophobicContact CG-CD1 4.06Å; M297-I332 HydrophobicContact CG-CD1 4.33Å; V304-I332 HydrophobicContact CB-CD1 4.06Å; V304-I332 HydrophobicContact CG1-CD1 4.34Å; V304-I332 HydrophobicContact CG2-CD1 3.96Å; S305-I332 PolarHBondContact O-N 3Å; S306-I332 CarbonylContact C-O 3.5Å; S306-I332 WeakPolarHBondContact CA-O 3.14Å; S306-I332 WeakPolarHBondContact CB-O 3.37Å; M307-I332 PolarHBondContact N-O 3.41Å
333S95.7Very high86.3Confident0 Ų026.2 Ų26.20%015%0.149CC..EExtended strand (participates in β ladder)trans-147.8173.1-177.2-159.80000114I282 F283 C284 M307I282-S333 PolarHBondContact O-N 2.95Å; F283-S333 WeakPolarHBondContact CA-O 3.48Å; C284-S333 PolarHBondContact N-O 3.35Å; M307-S333 WeakPolarHBondContact O-CA 3.45Å; M307-S333 WeakPolarHBondContact O-CB 3.25Å; M307-S333 PolarHBondContact O-OG 3.24Å
334T94.2Very high85.8Confident9 Ų928.6 Ų28.66%0.05516%0.164CC..  trans-96.1179.8169.354.60000110C284 K287 V290 H308 V336 W337C284-T334 WeakPolarHBondContact O-CA 3.27Å; K287-T334 HydrophobicContact CG-CG2 4.07Å; V290-T334 HydrophobicContact CG2-CG2 3.63Å; H308-T334 HydrophobicContact CB-CG2 4.08Å; T334-V336 PolarHBondContact O-N 3.49Å; T334-W337 PolarHBondContact O-N 3.31Å
335D88.9Confident85.7Confident32 Ų3229 Ų2917%0.17117%0.17CC..G310 helixtrans-60.4-10.4177.9-67.9-48.9000115.8W337 A338 L360 R364D335-W337 PolarHBondContact O-N 3.46Å; D335-A338 HydrophobicContact CB-CB 4.35Å; D335-A338 WeakPolarHBondContact O-CB 3.44Å; D335-A338 PolarHBondContact O-N 2.87Å; D335-L360 HydrophobicContact CB-CD1 3.99Å; D335-L360 HydrophobicContact CB-CD2 4.14Å; D335-L360 WeakPolarHBondContact OD1-CD1 3.19Å; D335-L360 VanDerWaalsContact OD1-CD2 3.24Å; D335-L360 WeakPolarHBondContact OD1-CD2 3.41Å; D335-L360 VanDerWaalsContact OD2-CD2 3.29Å; D335-L360 WeakPolarHBondContact OD2-CD2 3.39Å; D335-R364 IonicContact OD1-CZ 3.55Å; D335-R364 IonicContact OD1-NE 2.7Å; D335-R364 PolarHBondContact OD1-NE 2.92Å; D335-R364 IonicContact OD1-NH2 3.63Å; D335-R364 PolarHBondContact OD1-NH2 2.68Å; D335-R364 IonicContact OD2-CZ 2.87Å; D335-R364 IonicContact OD2-NH2 3.73Å; D335-R364 PolarHBondContact OD2-NH2 3.06Å
336V78.4Confident85.6Confident40 Ų4025.2 Ų25.224%0.24214%0.143CC..G310 helixtrans-52.3-29.1166.5-179.50000111T115 T334T115-V336 HydrophobicContact CG2-CG1 4.28Å; T334-V336 PolarHBondContact O-N 3.49Å
337W80Confident85.6Confident4 Ų425.7 Ų25.72%0.01514%0.144CC..G310 helixtrans-98.7-3.9177.8-96.977.8000115.7F283 M307 M320 F323 L331 T334 D335 R339 L341 V343F283-W337 HydrophobicContact CE1-CB 3.89Å; F283-W337 HydrophobicContact CZ-CB 4.47Å; M307-W337 HydrophobicContact CE-CZ2 3.31Å; M307-W337 PolarHBondContact SD-NE1 3.04Å; M320-W337 HydrophobicContact CE-CH2 3.13Å; M320-W337 HydrophobicContact CE-CZ2 3.42Å; M320-W337 VanDerWaalsContact CE-CZ2 3.42Å; M320-W337 HydrophobicContact CE-CZ3 4.06Å; M320-W337 HydrophobicContact CG-CZ2 4.04Å; M320-W337 HydrophobicContact SD-CH2 3.4Å; M320-W337 WeakPolarHBondContact SD-CH2 3.3Å; M320-W337 HydrophobicContact SD-CZ2 2.95Å; M320-W337 WeakPolarHBondContact SD-CZ2 3.29Å; M320-W337 HydrophobicContact SD-CZ3 4.4Å; F323-W337 AromaticContact CD1-CH2 3.8Å; F323-W337 HydrophobicContact CD1-CH2 3.8Å; F323-W337 HydrophobicContact CD1-CZ3 4.11Å; F323-W337 HydrophobicContact CE1-CH2 4.32Å; F323-W337 HydrophobicContact CE1-CZ3 4.18Å; L331-W337 HydrophobicContact CD2-CD2 3.69Å; L331-W337 HydrophobicContact CD2-CE3 3.7Å; L331-W337 HydrophobicContact CD2-CG 4.44Å; L331-W337 HydrophobicContact CD2-CH2 3.42Å; L331-W337 VanDerWaalsContact CD2-CH2 3.42Å; L331-W337 HydrophobicContact CD2-CZ2 3.39Å; L331-W337 HydrophobicContact CD2-CZ3 3.62Å; T334-W337 PolarHBondContact O-N 3.31Å; D335-W337 PolarHBondContact O-N 3.46Å; W337-R339 PolarHBondContact O-N 3Å; W337-L341 HydrophobicContact CB-CD1 4.31Å; W337-L341 HydrophobicContact CD2-CD1 3.1Å; W337-L341 HydrophobicContact CD2-CG 4.44Å; W337-L341 VanDerWaalsContact CE2-CD1 3.42Å; W337-L341 HydrophobicContact CE3-CB 3.99Å; W337-L341 HydrophobicContact CE3-CD1 3.28Å; W337-L341 HydrophobicContact CE3-CG 4.27Å; W337-L341 HydrophobicContact CG-CD1 3.58Å; W337-L341 HydrophobicContact CH2-CD1 4.16Å; W337-L341 HydrophobicContact CZ2-CD1 4.02Å; W337-L341 HydrophobicContact CZ3-CB 4.05Å; W337-L341 HydrophobicContact CZ3-CD1 3.78Å; W337-V343 HydrophobicContact CH2-CG2 4.45Å; W337-V343 HydrophobicContact CZ3-CG2 4.16Å
338A73.2Confident85.5Confident0 Ų022 Ų220%011%0.114CC..THydrogen-bonded Turntrans-67.6-25.8179.700000111.7F283 D335 L360 H363 R364 R367F283-A338 HydrophobicContact CE1-CB 4.18Å; F283-A338 HydrophobicContact CZ-CB 4.4Å; D335-A338 HydrophobicContact CB-CB 4.35Å; D335-A338 WeakPolarHBondContact O-CB 3.44Å; D335-A338 PolarHBondContact O-N 2.87Å; A338-L360 HydrophobicContact CB-CD1 3.52Å; A338-H363 HydrophobicContact CB-CB 4.28Å; A338-H363 CarbonylContact O-C 3.55Å; A338-H363 WeakPolarHBondContact O-CB 3.42Å; A338-R364 HydrophobicContact CB-CG 3.65Å; A338-R367 VanDerWaalsContact O-CZ 3.25Å; A338-R367 PolarHBondContact O-NE 3.49Å; A338-R367 PolarHBondContact O-NH2 3.15Å
339R75.6Confident85.6Confident15 Ų1521.8 Ų21.86%0.05711%0.112CC..SBendtrans-113.4145.8-170.7-63.8-162.5178.2107.2-22.1114E188 D190 E191 W337 L341 H363E188-R339 HydrophobicContact CG-CB 4.13Å; D190-R339 IonicContact OD2-NH2 2.81Å; E191-R339 VanDerWaalsContact CG-NH1 3.32Å; E191-R339 IonicContact OE1-NH1 3.14Å; E191-R339 PolarHBondContact OE1-NH1 2.76Å; E191-R339 IonicContact OE2-CZ 3.79Å; E191-R339 IonicContact OE2-NH1 3.47Å; E191-R339 PolarHBondContact OE2-NH1 3.46Å; E191-R339 IonicContact OE2-NH2 3.82Å; E191-R339 PolarHBondContact OE2-NH2 2.91Å; W337-R339 PolarHBondContact O-N 3Å; R339-L341 PolarHBondContact O-N 3.26Å; R339-H363 HydrophobicContact CG-CB 4.07Å; R339-H363 PolarHBondContact NE-CD2 2.63Å
340G64.7Low85.7Confident8 Ų816.3 Ų16.38%0.0829%0.091CC..SBendtrans62.6-28.7170.300000120.7Q121 E188 D342 R367Q121-G340 PolarHBondContact NE2-O 2.98Å; E188-G340 WeakPolarHBondContact OE1-CA 3.34Å; E188-G340 PolarHBondContact OE1-N 3.09Å; G340-D342 PolarHBondContact O-N 2.96Å; G340-R367 VanDerWaalsContact CA-NH1 3.3Å
341L75.9Confident85.8Confident2 Ų216.3 Ų16.31%0.019%0.091CC..  trans-70.8126.1-169.9-63.9174.7000114.6E117 M320 W337 R339 R367 R370E117-L341 HydrophobicContact CB-CD1 4.36Å; E117-L341 HydrophobicContact CB-CD2 3.35Å; E117-L341 HydrophobicContact CB-CG 4.45Å; E117-L341 HydrophobicContact CG-CD2 4.49Å; M320-L341 HydrophobicContact SD-CD1 4.13Å; M320-L341 HydrophobicContact SD-CD2 4.3Å; W337-L341 HydrophobicContact CB-CD1 4.31Å; W337-L341 HydrophobicContact CD2-CD1 3.1Å; W337-L341 HydrophobicContact CD2-CG 4.44Å; W337-L341 VanDerWaalsContact CE2-CD1 3.42Å; W337-L341 HydrophobicContact CE3-CB 3.99Å; W337-L341 HydrophobicContact CE3-CD1 3.28Å; W337-L341 HydrophobicContact CE3-CG 4.27Å; W337-L341 HydrophobicContact CG-CD1 3.58Å; W337-L341 HydrophobicContact CH2-CD1 4.16Å; W337-L341 HydrophobicContact CZ2-CD1 4.02Å; W337-L341 HydrophobicContact CZ3-CB 4.05Å; W337-L341 HydrophobicContact CZ3-CD1 3.78Å; R339-L341 PolarHBondContact O-N 3.26Å; L341-R367 PolarHBondContact O-NH1 2.59Å; L341-R370 PolarHBondContact O-NH2 3.09Å
342D75.7Confident85.9Confident33 Ų3316.3 Ų16.318%0.1769%0.091CC..  trans-101.4103.2-174-167.919.2000113.8R324 G340 R370R324-D342 PolarHBondContact NH1-O 3.02Å; G340-D342 PolarHBondContact O-N 2.96Å; D342-R370 VanDerWaalsContact CB-NH1 3.26Å; D342-R370 VanDerWaalsContact OD1-CD 3.26Å; D342-R370 WeakPolarHBondContact OD1-CD 3.45Å; D342-R370 IonicContact OD1-CZ 3.48Å; D342-R370 IonicContact OD1-NE 2.73Å; D342-R370 IonicContact OD1-NH1 2.72Å; D342-R370 PolarHBondContact OD1-NH1 3.03Å
343V83.4Confident85.9Confident6 Ų617 Ų174%0.03610%0.095CC..  trans-131.790.1173-169.70000107.2F323 R324 W337 Q345 V346F323-V343 HydrophobicContact CD1-CG1 4.15Å; F323-V343 HydrophobicContact CD1-CG2 4.02Å; F323-V343 HydrophobicContact CE1-CB 4.28Å; F323-V343 HydrophobicContact CE1-CG1 3.99Å; F323-V343 HydrophobicContact CE1-CG2 4.1Å; R324-V343 HydrophobicContact CG-CG2 4.07Å; W337-V343 HydrophobicContact CH2-CG2 4.45Å; W337-V343 HydrophobicContact CZ3-CG2 4.16Å; V343-Q345 PolarHBondContact O-N 3.04Å; V343-V346 HydrophobicContact CB-CG2 3.8Å; V343-V346 HydrophobicContact CG1-CG2 3.79Å; V343-V346 PolarHBondContact O-N 3.43Å; V343-V346 VanDerWaalsContact O-N 3.12Å
344P81Confident85.8Confident50 Ų5017.6 Ų17.633%0.32510%0.098SC..THydrogen-bonded Turntrans-58.8-22.5-173.2-27.936.1000115.1V346 R373P344-V346 VanDerWaalsContact C-N 3.29Å; P344-R373 PolarHBondContact O-NH1 3.31Å
345Q86.3Confident85.8Confident109 Ų10917.3 Ų17.351%0.50910%0.096SC..THydrogen-bonded Turntrans-83.8-3.9-177.1-54.4-50.571.600113.5Q279 V343 S347Q279-Q345 HydrophobicContact CG-CB 4.33Å; Q279-Q345 PolarHBondContact N-O 2.94Å; Q279-Q345 VanDerWaalsContact OE1-CB 3.25Å; V343-Q345 PolarHBondContact O-N 3.04Å; Q345-S347 PolarHBondContact O-N 3.42Å
346V89.8Confident85.8Confident6 Ų621.5 Ų21.54%0.03612%0.119CC..EExtended strand (participates in β ladder)trans-74.2113.8171.9177.90000108.6Q279 V281 F323 V343 P344 I349 S368Q279-V346 HydrophobicContact CB-CG2 4.15Å; Q279-V346 WeakPolarHBondContact O-CA 3.4Å; V281-V346 HydrophobicContact CG2-CG1 3.99Å; V281-V346 HydrophobicContact CG2-CG2 4.07Å; F323-V346 HydrophobicContact CE1-CG2 3.73Å; F323-V346 HydrophobicContact CZ-CG2 3.75Å; V343-V346 HydrophobicContact CB-CG2 3.8Å; V343-V346 HydrophobicContact CG1-CG2 3.79Å; V343-V346 PolarHBondContact O-N 3.43Å; V343-V346 VanDerWaalsContact O-N 3.12Å; P344-V346 VanDerWaalsContact C-N 3.29Å; V346-I349 HydrophobicContact CG1-CD1 3.58Å; V346-S368 VanDerWaalsContact O-CA 3.3Å; V346-S368 WeakPolarHBondContact O-CA 3.38Å; V346-S368 WeakPolarHBondContact O-CB 3.46Å
347S89.8Confident86.3Confident26 Ų2622.8 Ų22.818%0.18212%0.124CC..EExtended strand (participates in β ladder)trans-113.5-11.6174.450.20000112.4T278 Q279 Q345 G375 V376T278-S347 WeakPolarHBondContact CB-OG 3.35Å; T278-S347 VanDerWaalsContact CG2-OG 3.28Å; T278-S347 WeakPolarHBondContact CG2-OG 3.5Å; T278-S347 PolarHBondContact OG1-OG 3.2Å; Q279-S347 PolarHBondContact O-N 2.92Å; Q345-S347 PolarHBondContact O-N 3.42Å; S347-G375 CarbonylContact O-C 3.54Å; S347-G375 WeakPolarHBondContact O-CA 3.36Å; S347-V376 PolarHBondContact O-N 3.25Å
348L91.8Very high86.7Confident2 Ų226.3 Ų26.31%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-127.8128.1-177.5-176.546.7000112.1L275 A280 V281 V376 I378 I411L275-L348 HydrophobicContact CD2-CB 4.46Å; L275-L348 HydrophobicContact CD2-CD2 3.19Å; L275-L348 HydrophobicContact CD2-CG 3.55Å; L275-L348 HydrophobicContact CG-CD2 4.2Å; A280-L348 WeakPolarHBondContact CA-O 3.36Å; A280-L348 HydrophobicContact CB-CB 4.13Å; A280-L348 HydrophobicContact CB-CG 4.39Å; V281-L348 PolarHBondContact N-O 3.16Å; L348-V376 WeakPolarHBondContact CA-O 3.15Å; L348-V376 HydrophobicContact CD1-CB 3.87Å; L348-V376 HydrophobicContact CD1-CG1 3.83Å; L348-I378 HydrophobicContact CD1-CD1 3.87Å; L348-I378 HydrophobicContact CD1-CG1 4Å; L348-I411 HydrophobicContact CD2-CD1 3.47Å; L348-I411 VanDerWaalsContact CD2-CD1 3.47Å; L348-I411 HydrophobicContact CD2-CG1 4.19Å
349I93.6Very high87.4Confident0 Ų028.1 Ų28.10%015%0.146CC..EExtended strand (participates in β ladder)trans-117.1131174.2-56.3-60.2000108.7V281 F283 V346 R367 V376 A377 I378V281-I349 HydrophobicContact CB-CD1 3.84Å; V281-I349 HydrophobicContact CG2-CD1 4.3Å; V281-I349 WeakPolarHBondContact O-CA 3.25Å; F283-I349 HydrophobicContact CD2-CG2 3.85Å; F283-I349 HydrophobicContact CE2-CD1 4.48Å; F283-I349 HydrophobicContact CE2-CG2 3.89Å; V346-I349 HydrophobicContact CG1-CD1 3.58Å; I349-R367 HydrophobicContact CD1-CB 3.66Å; I349-R367 HydrophobicContact CG1-CB 4.46Å; I349-V376 PolarHBondContact N-O 3.49Å; I349-A377 HydrophobicContact CB-CB 4.44Å; I349-A377 CarbonylContact O-C 3.57Å; I349-A377 VanDerWaalsContact O-CA 3.31Å; I349-A377 WeakPolarHBondContact O-CA 3.38Å; I349-I378 PolarHBondContact O-N 3.47Å
350I95.4Very high88.1Confident0 Ų027.8 Ų27.80%015%0.145CC..EExtended strand (participates in β ladder)trans-113.5119.1169.7-61.8-175.6000108.6L268 L271 L275 V281 I282 F283 Y352 I378 F380L268-I350 HydrophobicContact CD1-CD1 3.5Å; L268-I350 VanDerWaalsContact CD1-CD1 3.5Å; L271-I350 HydrophobicContact CD1-CD1 4.47Å; L275-I350 HydrophobicContact CD1-CD1 3.69Å; L275-I350 HydrophobicContact CD2-CD1 3.45Å; L275-I350 VanDerWaalsContact CD2-CD1 3.45Å; L275-I350 HydrophobicContact CD2-CG1 4.04Å; L275-I350 HydrophobicContact CG-CD1 4.09Å; V281-I350 PolarHBondContact O-N 3.1Å; I282-I350 CarbonylContact C-O 3.41Å; I282-I350 WeakPolarHBondContact CA-O 3.46Å; I282-I350 HydrophobicContact CB-CB 4.49Å; I282-I350 HydrophobicContact CG1-CB 4.16Å; I282-I350 HydrophobicContact CG2-CB 4.28Å; I282-I350 HydrophobicContact CG2-CG2 4.23Å; F283-I350 PolarHBondContact N-O 2.83Å; I350-Y352 PolarHBondContact O-N 2.61Å; I350-I378 CarbonylContact C-O 3.54Å; I350-I378 WeakPolarHBondContact CA-O 3.39Å; I350-I378 HydrophobicContact CG1-CB 4.43Å; I350-F380 HydrophobicContact CG2-CD2 4.43Å; I350-F380 HydrophobicContact CG2-CE1 4.45Å; I350-F380 HydrophobicContact CG2-CE2 4.17Å; I350-F380 HydrophobicContact CG2-CZ 4.18Å
351N97.1Very high89.4Confident0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-85.691.4163.9-72.4-46.5000107.9R364 I378 N379 F380N351-R364 WeakPolarHBondContact OD1-CD 3.4Å; N351-R364 PolarHBondContact OD1-NH1 2.99Å; N351-I378 PolarHBondContact N-O 2.92Å; N351-N379 WeakPolarHBondContact CB-OD1 3.23Å; N351-N379 PolarHBondContact ND2-OD1 2.98Å; N351-F380 PolarHBondContact O-N 3.2Å
352Y97Very high90Very high0 Ų027.6 Ų27.60%014%0.142CC..SBendtrans-64.4-39.1175-166.5-82000110.1K264 F265 L268 I282 F283 K289 W292 L293 I350 F380K264-Y352 HydrophobicContact CB-CE1 3.98Å; K264-Y352 HydrophobicContact CB-CE2 3.8Å; K264-Y352 VanDerWaalsContact CB-CZ 3.5Å; K264-Y352 WeakPolarHBondContact CB-OH 3.36Å; K264-Y352 HydrophobicContact CD-CD1 4.17Å; K264-Y352 HydrophobicContact CD-CE1 3.93Å; K264-Y352 WeakPolarHBondContact CD-O 3.33Å; K264-Y352 WeakPolarHBondContact CE-O 3.37Å; K264-Y352 PolarHBondContact NZ-O 2.92Å; F265-Y352 PolarHBondContact N-OH 3.35Å; L268-Y352 HydrophobicContact CB-CE2 4.46Å; L268-Y352 HydrophobicContact CD2-CD2 4.12Å; L268-Y352 HydrophobicContact CD2-CE2 4.06Å; I282-Y352 HydrophobicContact CG2-CD2 4.43Å; F283-Y352 WeakPolarHBondContact O-CB 3.39Å; F283-Y352 PolarHBondContact O-N 2.81Å; K289-Y352 VanDerWaalsContact CE-CE1 3.42Å; W292-Y352 HydrophobicContact CZ3-CE1 4.29Å; L293-Y352 HydrophobicContact CD1-CD2 4.39Å; L293-Y352 HydrophobicContact CD1-CE2 3.75Å; L293-Y352 HydrophobicContact CD2-CD2 3.73Å; L293-Y352 HydrophobicContact CD2-CE2 3.94Å; L293-Y352 HydrophobicContact CD2-CG 4.05Å; I350-Y352 PolarHBondContact O-N 2.61Å; Y352-F380 AromaticContact CD2-CD2 3.9Å; Y352-F380 HydrophobicContact CD2-CD2 3.9Å; Y352-F380 AromaticContact CD2-CE2 3.96Å; Y352-F380 HydrophobicContact CD2-CE2 3.96Å; Y352-F380 HydrophobicContact CE2-CD2 4.28Å; Y352-F380 HydrophobicContact CE2-CE2 4.22Å; Y352-F380 HydrophobicContact CG-CD2 4.36Å
353D96.1Very high90.6Very high16 Ų1626 Ų269%0.08613%0.134CC..SBendtrans-111.9139163.2-63.2-37000109.3K264 F283 N285 K289 R364K264-D353 IonicContact NZ-OD1 3.34Å; F283-D353 PolarHBondContact O-N 2.96Å; N285-D353 HydrophobicContact CB-CB 4.16Å; N285-D353 VanDerWaalsContact CG-CB 3.47Å; N285-D353 PolarHBondContact N-OD2 2.94Å; N285-D353 WeakPolarHBondContact OD1-CB 3.33Å; K289-D353 WeakPolarHBondContact CD-OD2 3.37Å; K289-D353 IonicContact NZ-OD1 2.59Å; K289-D353 PolarHBondContact NZ-OD1 2.84Å; K289-D353 IonicContact NZ-OD2 3.02Å; K289-D353 PolarHBondContact NZ-OD2 3.39Å; D353-R364 PolarHBondContact O-NH1 3.25Å
354L94.9Very high91Very high11 Ų1125.7 Ų25.76%0.05813%0.132CC..  trans-59.7143.8167.2-75.4-169.6000110.7N285 N379 V381 D385 I388 L389N285-L354 PolarHBondContact ND2-O 2.91Å; N285-L354 PolarHBondContact OD1-O 3.4Å; L354-N379 HydrophobicContact CD2-CB 3.98Å; L354-V381 HydrophobicContact CD1-CG1 3.86Å; L354-V381 HydrophobicContact CD2-CG1 3.94Å; L354-V381 HydrophobicContact CG-CG1 3.97Å; L354-D385 HydrophobicContact CD1-CB 3.77Å; L354-D385 HydrophobicContact CG-CB 4.44Å; L354-I388 HydrophobicContact CD1-CB 4.13Å; L354-I388 HydrophobicContact CD1-CG2 4.21Å; L354-L389 HydrophobicContact CD1-CB 4.17Å; L354-L389 HydrophobicContact CD2-CD1 4.04Å
355P93.4Very high91.5Very high4 Ų423.5 Ų23.53%0.02612%0.117CC..  trans-64149.717727.8-34.3000111.1N357 L360 Y361 I392P355-N357 PolarHBondContact O-N 2.93Å; P355-L360 HydrophobicContact CB-CB 3.98Å; P355-L360 HydrophobicContact CB-CD2 3.83Å; P355-L360 HydrophobicContact CB-CG 3.89Å; P355-Y361 HydrophobicContact CG-CD2 3.86Å; P355-Y361 HydrophobicContact CG-CG 4.29Å; P355-I392 HydrophobicContact CG-CD1 4.45Å
356N89.5Confident91.5Very high120 Ų12018.4 Ų18.464%0.6429%0.094SC*.SBendtrans-72.1-11.7-177.1-62.3-48.9000114.1N285N285-N356 PolarHBondContact ND2-OD1 3.47Å; N285-N356 VanDerWaalsContact ND2-OD1 3.15Å
357N88Confident91.1Very high67 Ų6718.6 Ų18.636%0.3589%0.094SC..SBendtrans-149.6167.1176.363.849.2000111.1P355 E359 L360P355-N357 PolarHBondContact O-N 2.93Å; N357-E359 PolarHBondContact OD1-N 3.03Å; N357-L360 WeakPolarHBondContact OD1-CB 3.44Å; N357-L360 PolarHBondContact OD1-N 3.26Å
358R89.5Confident90.7Very high78 Ų7817.3 Ų17.329%0.2949%0.085SC..Hα-helixtrans-70.4-38.3-173.6-59.3-179.5-173.3158.20.7111.9L360 Y361 D391 I392 Y395 Y396R358-L360 VanDerWaalsContact C-N 3.34Å; R358-L360 PolarHBondContact O-N 3.37Å; R358-Y361 VanDerWaalsContact O-CB 3.27Å; R358-Y361 WeakPolarHBondContact O-CB 3.35Å; R358-Y361 PolarHBondContact O-N 2.92Å; R358-D391 IonicContact CZ-OD1 3.88Å; R358-D391 IonicContact CZ-OD2 3.78Å; R358-D391 IonicContact NE-OD1 3.44Å; R358-D391 IonicContact NE-OD2 3.47Å; R358-D391 PolarHBondContact NE-OD2 3.08Å; R358-D391 IonicContact NH2-OD1 3.4Å; R358-D391 PolarHBondContact NH2-OD1 3.07Å; R358-D391 IonicContact NH2-OD2 2.69Å; R358-D391 PolarHBondContact NH2-OD2 3.3Å; R358-I392 HydrophobicContact CG-CG1 4.14Å; R358-Y395 HydrophobicContact CB-CD1 4.41Å; R358-Y396 HydrophobicContact CB-CE2 3.95Å; R358-Y396 VanDerWaalsContact O-CE2 3.28Å; R358-Y396 WeakPolarHBondContact O-CE2 3.34Å; R358-Y396 PolarHBondContact O-OH 2.91Å
359E87.4Confident89.9Confident37 Ų3717.4 Ų17.417%0.1739%0.086CC..Hα-helixtrans-64.4-42.5-177.3-68.767.9-151.300110.8T220 P222 N357 Y361 I362 H363 Y396T220-E359 HydrophobicContact CG2-CB 4.01Å; T220-E359 HydrophobicContact CG2-CG 4.03Å; P222-E359 HydrophobicContact CG-CG 4.05Å; N357-E359 PolarHBondContact OD1-N 3.03Å; E359-Y361 PolarHBondContact O-N 3.17Å; E359-I362 PolarHBondContact O-N 3.37Å; E359-H363 PolarHBondContact O-CD2 3.14Å; E359-H363 PolarHBondContact O-N 3.41Å; E359-Y396 WeakPolarHBondContact CA-OH 3.38Å; E359-Y396 PolarHBondContact N-OH 3.43Å
360L89.4Confident89Confident8 Ų818 Ų184%0.0429%0.089CC..Hα-helixtrans-63.5-28.8179.1-174.463.9000112.5D335 A338 P355 N357 R358 H363 R364D335-L360 HydrophobicContact CB-CD1 3.99Å; D335-L360 HydrophobicContact CB-CD2 4.14Å; D335-L360 WeakPolarHBondContact OD1-CD1 3.19Å; D335-L360 VanDerWaalsContact OD1-CD2 3.24Å; D335-L360 WeakPolarHBondContact OD1-CD2 3.41Å; D335-L360 VanDerWaalsContact OD2-CD2 3.29Å; D335-L360 WeakPolarHBondContact OD2-CD2 3.39Å; A338-L360 HydrophobicContact CB-CD1 3.52Å; P355-L360 HydrophobicContact CB-CB 3.98Å; P355-L360 HydrophobicContact CB-CD2 3.83Å; P355-L360 HydrophobicContact CB-CG 3.89Å; N357-L360 WeakPolarHBondContact OD1-CB 3.44Å; N357-L360 PolarHBondContact OD1-N 3.26Å; R358-L360 VanDerWaalsContact C-N 3.34Å; R358-L360 PolarHBondContact O-N 3.37Å; L360-H363 PolarHBondContact O-N 2.88Å; L360-R364 HydrophobicContact CG-CG 4.44Å; L360-R364 WeakPolarHBondContact O-CG 3.39Å; L360-R364 PolarHBondContact O-N 2.94Å
361Y92.6Very high88Confident0 Ų023.6 Ų23.60%011%0.111CC..Hα-helixtrans-56.7-51.8172.3-175.3-99.1000111.9Q253 P355 R358 E359 H363 R364 I365 N379 L389 I392 I400Q253-Y361 VanDerWaalsContact OE1-CE1 3.3Å; Q253-Y361 PolarHBondContact OE1-OH 2.97Å; Q253-Y361 VanDerWaalsContact OE1-OH 3.06Å; P355-Y361 HydrophobicContact CG-CD2 3.86Å; P355-Y361 HydrophobicContact CG-CG 4.29Å; R358-Y361 VanDerWaalsContact O-CB 3.27Å; R358-Y361 WeakPolarHBondContact O-CB 3.35Å; R358-Y361 PolarHBondContact O-N 2.92Å; E359-Y361 PolarHBondContact O-N 3.17Å; Y361-H363 VanDerWaalsContact C-N 3.27Å; Y361-H363 PolarHBondContact O-N 3.44Å; Y361-R364 PolarHBondContact O-N 3.24Å; Y361-I365 HydrophobicContact CD1-CD1 4.07Å; Y361-I365 HydrophobicContact CE1-CD1 3.63Å; Y361-I365 HydrophobicContact CE1-CG2 4.21Å; Y361-I365 HydrophobicContact CE2-CG2 4.24Å; Y361-I365 WeakPolarHBondContact O-CG1 3.47Å; Y361-I365 PolarHBondContact O-N 3.46Å; Y361-N379 WeakPolarHBondContact CE2-OD1 3.11Å; Y361-N379 PolarHBondContact OH-ND2 3.03Å; Y361-L389 HydrophobicContact CE2-CD1 4.42Å; Y361-I392 HydrophobicContact CD1-CG2 3.43Å; Y361-I392 VanDerWaalsContact CD1-CG2 3.43Å; Y361-I392 HydrophobicContact CD2-CD1 4.02Å; Y361-I392 HydrophobicContact CD2-CG2 4.16Å; Y361-I392 HydrophobicContact CE1-CG2 3.74Å; Y361-I392 HydrophobicContact CE2-CG2 4.41Å; Y361-I392 HydrophobicContact CG-CD1 4.18Å; Y361-I392 HydrophobicContact CG-CG2 3.67Å; Y361-I400 HydrophobicContact CE1-CD1 4.49Å; Y361-I400 WeakPolarHBondContact OH-CD1 3.34Å
362I89Confident87Confident6 Ų627 Ų273%0.03115%0.145CC..Hα-helixtrans-61-38178.5-60.8-61.6000111.3T247 E359 G366 Y396T247-I362 HydrophobicContact CG2-CD1 3.53Å; E359-I362 PolarHBondContact O-N 3.37Å; I362-G366 WeakPolarHBondContact O-CA 3.37Å; I362-G366 PolarHBondContact O-N 2.69Å; I362-Y396 HydrophobicContact CD1-CD1 4.07Å; I362-Y396 HydrophobicContact CD1-CD2 3.92Å; I362-Y396 HydrophobicContact CD1-CE1 4.09Å; I362-Y396 HydrophobicContact CD1-CE2 3.92Å; I362-Y396 HydrophobicContact CD1-CG 3.99Å; I362-Y396 HydrophobicContact CG1-CD1 4.19Å; I362-Y396 HydrophobicContact CG1-CD2 4.17Å; I362-Y396 HydrophobicContact CG1-CE1 3.68Å; I362-Y396 HydrophobicContact CG1-CE2 3.65Å; I362-Y396 HydrophobicContact CG1-CG 4.41Å
363H87.9Confident86.3Confident0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-64.6-48.5177.1-76.7-63.6000112.3E188 D190 T220 A338 R339 E359 L360 Y361 R367E188-H363 IonicContact OE2-CE1 3.15Å; E188-H363 PolarHBondContact OE2-CE1 2.91Å; E188-H363 IonicContact OE2-ND1 3.1Å; D190-H363 IonicContact OD2-NE2 2.66Å; D190-H363 PolarHBondContact OD2-NE2 3.47Å; T220-H363 PolarHBondContact OG1-NE2 3.45Å; A338-H363 HydrophobicContact CB-CB 4.28Å; A338-H363 CarbonylContact O-C 3.55Å; A338-H363 WeakPolarHBondContact O-CB 3.42Å; R339-H363 HydrophobicContact CG-CB 4.07Å; R339-H363 PolarHBondContact NE-CD2 2.63Å; E359-H363 PolarHBondContact O-CD2 3.14Å; E359-H363 PolarHBondContact O-N 3.41Å; L360-H363 PolarHBondContact O-N 2.88Å; Y361-H363 VanDerWaalsContact C-N 3.27Å; Y361-H363 PolarHBondContact O-N 3.44Å; H363-R367 PolarHBondContact O-N 3.33Å; H363-R367 PolarHBondContact O-NE 3.26Å
364R92.3Very high85.9Confident0 Ų040.7 Ų40.70%020%0.201CC..Hα-helixtrans-61-54.8178.5-73.6-173.7-175.8-177.2-0.5111.7F283 N285 D335 A338 N351 D353 L360 Y361 G366 R367F283-R364 HydrophobicContact CD1-CG 4.24Å; F283-R364 HydrophobicContact CD2-CB 3.83Å; F283-R364 HydrophobicContact CD2-CG 3.73Å; F283-R364 HydrophobicContact CE1-CG 4.37Å; F283-R364 HydrophobicContact CE2-CB 3.77Å; F283-R364 HydrophobicContact CE2-CG 3.86Å; F283-R364 HydrophobicContact CG-CG 3.92Å; F283-R364 HydrophobicContact CZ-CB 4.43Å; F283-R364 HydrophobicContact CZ-CG 4.19Å; N285-R364 PolarHBondContact OD1-NH2 3.26Å; D335-R364 IonicContact OD1-CZ 3.55Å; D335-R364 IonicContact OD1-NE 2.7Å; D335-R364 PolarHBondContact OD1-NE 2.92Å; D335-R364 IonicContact OD1-NH2 3.63Å; D335-R364 PolarHBondContact OD1-NH2 2.68Å; D335-R364 IonicContact OD2-CZ 2.87Å; D335-R364 IonicContact OD2-NH2 3.73Å; D335-R364 PolarHBondContact OD2-NH2 3.06Å; A338-R364 HydrophobicContact CB-CG 3.65Å; N351-R364 WeakPolarHBondContact OD1-CD 3.4Å; N351-R364 PolarHBondContact OD1-NH1 2.99Å; D353-R364 PolarHBondContact O-NH1 3.25Å; L360-R364 HydrophobicContact CG-CG 4.44Å; L360-R364 WeakPolarHBondContact O-CG 3.39Å; L360-R364 PolarHBondContact O-N 2.94Å; Y361-R364 PolarHBondContact O-N 3.24Å; R364-G366 VanDerWaalsContact C-N 3.31Å; R364-G366 PolarHBondContact O-N 3.28Å; R364-R367 WeakPolarHBondContact O-CB 3.29Å; R364-R367 WeakPolarHBondContact O-CG 3.5Å; R364-R367 PolarHBondContact O-N 3.21Å
365I91.2Very high85.6Confident3 Ų340.3 Ų40.32%0.01520%0.2CC..Hα-helixtrans-67.5-35.8-177.472173.8000111I251 Q253 Y361 R367 S368 A377I251-I365 WeakPolarHBondContact CD1-O 3.25Å; Q253-I365 HydrophobicContact CG-CD1 4.3Å; Y361-I365 HydrophobicContact CD1-CD1 4.07Å; Y361-I365 HydrophobicContact CE1-CD1 3.63Å; Y361-I365 HydrophobicContact CE1-CG2 4.21Å; Y361-I365 HydrophobicContact CE2-CG2 4.24Å; Y361-I365 WeakPolarHBondContact O-CG1 3.47Å; Y361-I365 PolarHBondContact O-N 3.46Å; I365-R367 PolarHBondContact O-N 3.36Å; I365-S368 PolarHBondContact O-N 2.65Å; I365-S368 PolarHBondContact O-OG 3.26Å; I365-S368 VanDerWaalsContact O-OG 3.07Å; I365-A377 HydrophobicContact CB-CB 3.93Å; I365-A377 HydrophobicContact CG2-CB 3.55Å
366G85.9Confident85.6Confident2 Ų240.5 Ų40.52%0.02120%0.201CC..THydrogen-bonded Turntrans-68.15176.700000114.8I362 R364 S368I362-G366 WeakPolarHBondContact O-CA 3.37Å; I362-G366 PolarHBondContact O-N 2.69Å; R364-G366 VanDerWaalsContact C-N 3.31Å; R364-G366 PolarHBondContact O-N 3.28Å; G366-S368 VanDerWaalsContact C-N 3.34Å; G366-S368 CarbonylContact C-O 3.58Å
367R81.9Confident85.8Confident10 Ų1034.8 Ų34.84%0.03817%0.171CC..THydrogen-bonded Turntrans-72.1-30.8164.3-66.5-48.291.8179.314.4111.7F283 A338 G340 L341 I349 H363 R364 I365 R370F283-R367 HydrophobicContact CE2-CG 4.45Å; F283-R367 HydrophobicContact CZ-CG 4.11Å; A338-R367 VanDerWaalsContact O-CZ 3.25Å; A338-R367 PolarHBondContact O-NE 3.49Å; A338-R367 PolarHBondContact O-NH2 3.15Å; G340-R367 VanDerWaalsContact CA-NH1 3.3Å; L341-R367 PolarHBondContact O-NH1 2.59Å; I349-R367 HydrophobicContact CD1-CB 3.66Å; I349-R367 HydrophobicContact CG1-CB 4.46Å; H363-R367 PolarHBondContact O-N 3.33Å; H363-R367 PolarHBondContact O-NE 3.26Å; R364-R367 WeakPolarHBondContact O-CB 3.29Å; R364-R367 WeakPolarHBondContact O-CG 3.5Å; R364-R367 PolarHBondContact O-N 3.21Å; I365-R367 PolarHBondContact O-N 3.36Å; R367-R370 PolarHBondContact O-NE 3.02Å; R367-R370 VanDerWaalsContact O-NE 3.12Å
368S79.8Confident86.1Confident0 Ų031.7 Ų31.70%015%0.154CC..SBendtrans-89.7174.7167.471.10000111.5V346 I365 G366 R370V346-S368 VanDerWaalsContact O-CA 3.3Å; V346-S368 WeakPolarHBondContact O-CA 3.38Å; V346-S368 WeakPolarHBondContact O-CB 3.46Å; I365-S368 PolarHBondContact O-N 2.65Å; I365-S368 PolarHBondContact O-OG 3.26Å; I365-S368 VanDerWaalsContact O-OG 3.07Å; G366-S368 VanDerWaalsContact C-N 3.34Å; G366-S368 CarbonylContact C-O 3.58Å; S368-R370 VanDerWaalsContact C-N 3.3Å; S368-R370 PolarHBondContact O-N 2.86Å
369G75.8Confident86.4Confident3 Ų328 Ų283%0.03114%0.14CC..SBendtrans67.223.8174.400000115.8R373G369-R373 CarbonylContact C-O 3.53Å; G369-R373 WeakPolarHBondContact CA-O 3.35Å
370R74.7Confident86.8Confident12 Ų1226.2 Ų26.25%0.04513%0.132CC..G310 helixtrans-63.2140.8-176.3-68.9175.3171.8-85.6-26.7112.4L341 D342 R367 S368 G372 R373L341-R370 PolarHBondContact O-NH2 3.09Å; D342-R370 VanDerWaalsContact CB-NH1 3.26Å; D342-R370 VanDerWaalsContact OD1-CD 3.26Å; D342-R370 WeakPolarHBondContact OD1-CD 3.45Å; D342-R370 IonicContact OD1-CZ 3.48Å; D342-R370 IonicContact OD1-NE 2.73Å; D342-R370 IonicContact OD1-NH1 2.72Å; D342-R370 PolarHBondContact OD1-NH1 3.03Å; R367-R370 PolarHBondContact O-NE 3.02Å; R367-R370 VanDerWaalsContact O-NE 3.12Å; S368-R370 VanDerWaalsContact C-N 3.3Å; S368-R370 PolarHBondContact O-N 2.86Å; R370-G372 PolarHBondContact O-N 3.15Å; R370-R373 WeakPolarHBondContact O-CB 3.35Å; R370-R373 VanDerWaalsContact O-CG 3.24Å; R370-R373 WeakPolarHBondContact O-CG 3.48Å; R370-R373 PolarHBondContact O-N 3.5Å; R370-R373 VanDerWaalsContact O-N 3.08Å
371Y74.6Confident87.1Confident118 Ų11825.9 Ų25.946%0.46313%0.13SC..G310 helixtrans49.239.6179.8-67.7-81.7000113.6G85 R373G85-Y371 PolarHBondContact O-N 3.2Å; G85-Y371 VanDerWaalsContact O-N 3.13Å; Y371-R373 VanDerWaalsContact C-N 3.33Å; Y371-R373 PolarHBondContact O-N 3.34Å
372G76.1Confident87.1Confident71 Ų7129.6 Ų29.673%0.73215%0.146SC*.G310 helixtrans80.67.6176.800000115R370R370-G372 PolarHBondContact O-N 3.15Å
373R82.6Confident86.9Confident120 Ų12034 Ų3445%0.45317%0.17SC..  trans-63.8158.1170.8-69.2175.5-178-170.2-2.8110.6P344 G369 R370 Y371P344-R373 PolarHBondContact O-NH1 3.31Å; G369-R373 CarbonylContact C-O 3.53Å; G369-R373 WeakPolarHBondContact CA-O 3.35Å; R370-R373 WeakPolarHBondContact O-CB 3.35Å; R370-R373 VanDerWaalsContact O-CG 3.24Å; R370-R373 WeakPolarHBondContact O-CG 3.48Å; R370-R373 PolarHBondContact O-N 3.5Å; R370-R373 VanDerWaalsContact O-N 3.08Å; Y371-R373 VanDerWaalsContact C-N 3.33Å; Y371-R373 PolarHBondContact O-N 3.34Å
374K87.1Confident86.7Confident184 Ų18439.9 Ų39.980%0.820%0.201SC*.  trans-75.1146.8170.6-64.9-175.4179.2-177.30110.1G250G250-K374 CarbonylContact O-C 3.22Å; G250-K374 WeakPolarHBondContact O-CA 3.47Å
375G89.7Confident86.6Confident4 Ų441.8 Ų41.84%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-147.6164.5173.600000111.4G250 I251 K252 S347G250-G375 PolarHBondContact O-N 3.02Å; I251-G375 CarbonylContact C-O 3.52Å; I251-G375 WeakPolarHBondContact CA-O 3.5Å; K252-G375 PolarHBondContact N-O 3.4Å; S347-G375 CarbonylContact O-C 3.54Å; S347-G375 WeakPolarHBondContact O-CA 3.36Å
376V91.6Very high86.4Confident8 Ų844.1 Ų44.15%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-129138176.4179.90000108.1K252 F254 S347 L348 I349 I378 L410 I411K252-V376 CarbonylContact O-C 3.58Å; K252-V376 VanDerWaalsContact O-CA 3.31Å; K252-V376 WeakPolarHBondContact O-CA 3.42Å; F254-V376 HydrophobicContact CD2-CG1 3.8Å; F254-V376 HydrophobicContact CE2-CG1 3.98Å; S347-V376 PolarHBondContact O-N 3.25Å; L348-V376 WeakPolarHBondContact CA-O 3.15Å; L348-V376 HydrophobicContact CD1-CB 3.87Å; L348-V376 HydrophobicContact CD1-CG1 3.83Å; I349-V376 PolarHBondContact N-O 3.49Å; V376-I378 HydrophobicContact CG1-CD1 4.48Å; V376-I378 HydrophobicContact CG1-CG1 4.02Å; V376-L410 WeakPolarHBondContact CG2-O 3.44Å; V376-I411 HydrophobicContact CG2-CG1 4.32Å
377A93.8Very high86.6Confident0 Ų054.1 Ų54.10%026%0.261CS..EExtended strand (participates in β ladder)trans-125.6122.3173.100000109.3I251 K252 Q253 F254 I349 I365I251-A377 HydrophobicContact CG2-CB 4.03Å; K252-A377 PolarHBondContact O-N 3.34Å; Q253-A377 CarbonylContact C-O 3.56Å; Q253-A377 WeakPolarHBondContact CA-O 3.39Å; Q253-A377 HydrophobicContact CG-CB 4.3Å; F254-A377 PolarHBondContact N-O 3.05Å; I349-A377 HydrophobicContact CB-CB 4.44Å; I349-A377 CarbonylContact O-C 3.57Å; I349-A377 VanDerWaalsContact O-CA 3.31Å; I349-A377 WeakPolarHBondContact O-CA 3.38Å; I365-A377 HydrophobicContact CB-CB 3.93Å; I365-A377 HydrophobicContact CG2-CB 3.55Å
378I94.7Very high87Confident1 Ų157.4 Ų57.41%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-112.7128.6-179.6-55.7175.8000108.6F254 V256 L271 L348 I349 I350 N351 V376 F380 M403 V407F254-I378 WeakPolarHBondContact O-CA 3.48Å; V256-I378 HydrophobicContact CG2-CG2 3.9Å; L271-I378 HydrophobicContact CD1-CD1 4.07Å; L271-I378 HydrophobicContact CD1-CG2 4.44Å; L348-I378 HydrophobicContact CD1-CD1 3.87Å; L348-I378 HydrophobicContact CD1-CG1 4Å; I349-I378 PolarHBondContact O-N 3.47Å; I350-I378 CarbonylContact C-O 3.54Å; I350-I378 WeakPolarHBondContact CA-O 3.39Å; I350-I378 HydrophobicContact CG1-CB 4.43Å; N351-I378 PolarHBondContact N-O 2.92Å; V376-I378 HydrophobicContact CG1-CD1 4.48Å; V376-I378 HydrophobicContact CG1-CG1 4.02Å; I378-F380 HydrophobicContact CG2-CD1 4.21Å; I378-F380 HydrophobicContact CG2-CE1 3.95Å; I378-M403 HydrophobicContact CD1-SD 3.97Å; I378-M403 HydrophobicContact CG1-SD 4.48Å; I378-M403 HydrophobicContact CG2-SD 4.04Å; I378-V407 HydrophobicContact CD1-CG1 4.5Å
379N96.4Very high87.6Confident0 Ų057.4 Ų57.40%028%0.278CS..EExtended strand (participates in β ladder)trans-111.6117.4-177-58.5-74.9000110.2F254 F255 V256 N351 L354 Y361 V381 L389F254-N379 PolarHBondContact O-N 2.94Å; F254-N379 PolarHBondContact O-ND2 3.31Å; F255-N379 CarbonylContact C-O 3.26Å; F255-N379 WeakPolarHBondContact CA-O 3.42Å; F255-N379 HydrophobicContact CB-CB 4.14Å; V256-N379 PolarHBondContact N-O 3.11Å; N351-N379 WeakPolarHBondContact CB-OD1 3.23Å; N351-N379 PolarHBondContact ND2-OD1 2.98Å; L354-N379 HydrophobicContact CD2-CB 3.98Å; Y361-N379 WeakPolarHBondContact CE2-OD1 3.11Å; Y361-N379 PolarHBondContact OH-ND2 3.03Å; N379-V381 HydrophobicContact CB-CG1 4.32Å; N379-V381 PolarHBondContact O-N 3.22Å; N379-L389 HydrophobicContact CB-CD1 4.16Å
380F96.3Very high88.4Confident0 Ų062.2 Ų62.20%030%0.295CS..EExtended strand (participates in β ladder)trans-83.7117.4171.1-68-8.6000109.4V256 K264 T267 L268 L271 I350 N351 Y352 I378V256-F380 HydrophobicContact CB-CD1 4.03Å; V256-F380 HydrophobicContact CB-CE1 4.31Å; V256-F380 HydrophobicContact CG2-CD1 4.26Å; V256-F380 HydrophobicContact CG2-CE1 4.17Å; K264-F380 HydrophobicContact CB-CD2 3.74Å; K264-F380 HydrophobicContact CB-CE2 4.26Å; K264-F380 HydrophobicContact CD-CB 3.89Å; K264-F380 HydrophobicContact CD-CD2 4.21Å; K264-F380 HydrophobicContact CG-CB 3.94Å; K264-F380 HydrophobicContact CG-CD2 3.9Å; K264-F380 HydrophobicContact CG-CG 4.27Å; K264-F380 WeakPolarHBondContact O-CE2 3.44Å; T267-F380 HydrophobicContact CG2-CD1 4.49Å; T267-F380 HydrophobicContact CG2-CE1 3.6Å; T267-F380 HydrophobicContact CG2-CZ 3.63Å; L268-F380 HydrophobicContact CB-CE2 4.03Å; L268-F380 HydrophobicContact CB-CZ 4.3Å; L271-F380 HydrophobicContact CD1-CE1 3.95Å; L271-F380 HydrophobicContact CD1-CZ 3.98Å; I350-F380 HydrophobicContact CG2-CD2 4.43Å; I350-F380 HydrophobicContact CG2-CE1 4.45Å; I350-F380 HydrophobicContact CG2-CE2 4.17Å; I350-F380 HydrophobicContact CG2-CZ 4.18Å; N351-F380 PolarHBondContact O-N 3.2Å; Y352-F380 AromaticContact CD2-CD2 3.9Å; Y352-F380 HydrophobicContact CD2-CD2 3.9Å; Y352-F380 AromaticContact CD2-CE2 3.96Å; Y352-F380 HydrophobicContact CD2-CE2 3.96Å; Y352-F380 HydrophobicContact CE2-CD2 4.28Å; Y352-F380 HydrophobicContact CE2-CE2 4.22Å; Y352-F380 HydrophobicContact CG-CD2 4.36Å; I378-F380 HydrophobicContact CG2-CD1 4.21Å; I378-F380 HydrophobicContact CG2-CE1 3.95Å
381V94.3Very high89.3Confident1 Ų164.5 Ų64.51%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-122.1125.5-175.1-63.30000110.4F255 V256 A257 V258 L354 N379 D385 I386 L389F255-V381 HydrophobicContact CB-CG2 4.18Å; F255-V381 HydrophobicContact CD2-CG2 3.62Å; F255-V381 HydrophobicContact CE2-CG2 4.49Å; F255-V381 HydrophobicContact CG-CG2 4.26Å; V256-V381 PolarHBondContact O-N 3.25Å; A257-V381 WeakPolarHBondContact CA-O 3.41Å; A257-V381 HydrophobicContact CB-CG2 4.41Å; V258-V381 PolarHBondContact N-O 3.26Å; L354-V381 HydrophobicContact CD1-CG1 3.86Å; L354-V381 HydrophobicContact CD2-CG1 3.94Å; L354-V381 HydrophobicContact CG-CG1 3.97Å; N379-V381 HydrophobicContact CB-CG1 4.32Å; N379-V381 PolarHBondContact O-N 3.22Å; V381-D385 HydrophobicContact CB-CB 4.02Å; V381-D385 HydrophobicContact CG1-CB 4.37Å; V381-I386 HydrophobicContact CG2-CD1 4.08Å; V381-L389 HydrophobicContact CG1-CB 4.32Å; V381-L389 HydrophobicContact CG1-CD2 3.95Å
382K92.6Very high90.1Very high78 Ų7859 Ų5934%0.33929%0.287SS..EExtended strand (participates in β ladder)trans-77.1164.2165.4-163.6-179.4172.1-165.30109.8V258 D384 D385 I386V258-K382 WeakPolarHBondContact O-CA 3.38Å; K382-D384 PolarHBondContact O-N 3.25Å; K382-D385 WeakPolarHBondContact CB-OD2 3.23Å; K382-D385 PolarHBondContact N-OD2 3.47Å; K382-D385 WeakPolarHBondContact O-CA 3.35Å; K382-D385 WeakPolarHBondContact O-CB 3.49Å; K382-D385 PolarHBondContact O-N 2.94Å; K382-I386 PolarHBondContact O-N 3.09Å
383N85.3Confident90.9Very high100 Ų10057.1 Ų57.154%0.53526%0.259SS..THydrogen-bonded Turntrans-46.6-37.5177.4-67.1-11.9000114.5I386N383-I386 VanDerWaalsContact O-CG2 3.29Å; N383-I386 WeakPolarHBondContact O-CG2 3.33Å
384D84.5Confident91.4Very high123 Ų12358.9 Ų58.966%0.65827%0.273SS*.THydrogen-bonded Turntrans-79.2-26.1179.3-60.2-39.5000113K382 I386K382-D384 PolarHBondContact O-N 3.25Å; D384-I386 VanDerWaalsContact C-N 3.34Å; D384-I386 PolarHBondContact O-N 2.63Å
385D88.9Confident91.5Very high39 Ų3952.7 Ų52.721%0.20924%0.244CC..THydrogen-bonded Turntrans-76.2-21.6-176.3-64.5-28.5000112.5L354 V381 K382 R387 I388 L389L354-D385 HydrophobicContact CD1-CB 3.77Å; L354-D385 HydrophobicContact CG-CB 4.44Å; V381-D385 HydrophobicContact CB-CB 4.02Å; V381-D385 HydrophobicContact CG1-CB 4.37Å; K382-D385 WeakPolarHBondContact CB-OD2 3.23Å; K382-D385 PolarHBondContact N-OD2 3.47Å; K382-D385 WeakPolarHBondContact O-CA 3.35Å; K382-D385 WeakPolarHBondContact O-CB 3.49Å; K382-D385 PolarHBondContact O-N 2.94Å; D385-R387 PolarHBondContact O-N 3.11Å; D385-R387 VanDerWaalsContact O-N 3.14Å; D385-I388 WeakPolarHBondContact O-CA 3.48Å; D385-I388 WeakPolarHBondContact O-CB 3.4Å; D385-I388 PolarHBondContact O-N 3.38Å; D385-L389 PolarHBondContact O-N 3.35Å
386I87.6Confident91.5Very high53 Ų5352.6 Ų52.627%0.27224%0.243SC..Hα-helixtrans-57.8-33.6-176.6-162.864.4000111.9F255 V381 K382 N383 D384 L389 R390F255-I386 HydrophobicContact CD2-CD1 4.18Å; F255-I386 HydrophobicContact CE2-CD1 3.99Å; F255-I386 HydrophobicContact CZ-CD1 4.34Å; V381-I386 HydrophobicContact CG2-CD1 4.08Å; K382-I386 PolarHBondContact O-N 3.09Å; N383-I386 VanDerWaalsContact O-CG2 3.29Å; N383-I386 WeakPolarHBondContact O-CG2 3.33Å; D384-I386 VanDerWaalsContact C-N 3.34Å; D384-I386 PolarHBondContact O-N 2.63Å; I386-L389 HydrophobicContact CD1-CD2 4.33Å; I386-L389 PolarHBondContact O-N 3.25Å; I386-R390 VanDerWaalsContact O-CG 3.31Å; I386-R390 WeakPolarHBondContact O-CG 3.02Å; I386-R390 PolarHBondContact O-N 3.39Å
387R89.1Confident91.4Very high211 Ų21156.4 Ų56.480%0.79627%0.27SS*.Hα-helixtrans-66-39.4176.9-66.9-176.9-179.4-178.31.3111.7D385 R390 D391D385-R387 PolarHBondContact O-N 3.11Å; D385-R387 VanDerWaalsContact O-N 3.14Å; R387-R390 PolarHBondContact O-N 3.04Å; R387-D391 WeakPolarHBondContact O-CB 3.29Å; R387-D391 PolarHBondContact O-N 3.14Å
388I92Very high91.3Very high80 Ų8057.6 Ų57.641%0.4128%0.277SS..Hα-helixtrans-66.3-42.6177.4-57.5173000109.4L354 D385 D391 I392L354-I388 HydrophobicContact CD1-CB 4.13Å; L354-I388 HydrophobicContact CD1-CG2 4.21Å; D385-I388 WeakPolarHBondContact O-CA 3.48Å; D385-I388 WeakPolarHBondContact O-CB 3.4Å; D385-I388 PolarHBondContact O-N 3.38Å; I388-D391 WeakPolarHBondContact O-CB 3.42Å; I388-D391 PolarHBondContact O-N 3.35Å; I388-I392 HydrophobicContact CG2-CD1 4.3Å; I388-I392 WeakPolarHBondContact O-CG1 3.33Å; I388-I392 PolarHBondContact O-N 3.02Å
389L92.6Very high91.2Very high0 Ų063.7 Ų63.70%031%0.306CS..Hα-helixtrans-63-45.1177.4-171.371.8000112.2F255 L354 Y361 N379 V381 D385 I386 D391 I392 E393 I400F255-L389 HydrophobicContact CB-CD2 3.48Å; F255-L389 VanDerWaalsContact CB-CD2 3.48Å; F255-L389 HydrophobicContact CD1-CD2 3.9Å; F255-L389 HydrophobicContact CD2-CD2 4.49Å; F255-L389 HydrophobicContact CG-CD2 3.7Å; L354-L389 HydrophobicContact CD1-CB 4.17Å; L354-L389 HydrophobicContact CD2-CD1 4.04Å; Y361-L389 HydrophobicContact CE2-CD1 4.42Å; N379-L389 HydrophobicContact CB-CD1 4.16Å; V381-L389 HydrophobicContact CG1-CB 4.32Å; V381-L389 HydrophobicContact CG1-CD2 3.95Å; D385-L389 PolarHBondContact O-N 3.35Å; I386-L389 HydrophobicContact CD1-CD2 4.33Å; I386-L389 PolarHBondContact O-N 3.25Å; L389-D391 VanDerWaalsContact C-N 3.3Å; L389-D391 PolarHBondContact O-N 3.11Å; L389-I392 WeakPolarHBondContact O-CB 3.42Å; L389-I392 PolarHBondContact O-N 3.41Å; L389-E393 WeakPolarHBondContact O-CB 3.26Å; L389-E393 PolarHBondContact O-N 3.09Å; L389-I400 HydrophobicContact CD1-CD1 3.57Å; L389-I400 HydrophobicContact CD1-CG2 4.36Å; L389-I400 HydrophobicContact CD2-CG2 4.05Å; L389-I400 HydrophobicContact CG-CD1 3.91Å; L389-I400 HydrophobicContact CG-CG2 4.46Å
390R92.3Very high91Very high104 Ų10463.7 Ų63.739%0.39231%0.306SS..Hα-helixtrans-65.4-33.9177.5-67.1-59.9-179.7-167.3-5.2112.6I386 R387 E393 Q394I386-R390 VanDerWaalsContact O-CG 3.31Å; I386-R390 WeakPolarHBondContact O-CG 3.02Å; I386-R390 PolarHBondContact O-N 3.39Å; R387-R390 PolarHBondContact O-N 3.04Å; R390-E393 WeakPolarHBondContact CD-OE2 3.25Å; R390-E393 IonicContact CZ-OE2 3.69Å; R390-E393 IonicContact NE-OE2 2.71Å; R390-E393 IonicContact NH1-OE1 2.74Å; R390-E393 PolarHBondContact NH1-OE1 3Å; R390-E393 IonicContact NH1-OE2 2.63Å; R390-E393 PolarHBondContact NH1-OE2 3.26Å; R390-E393 PolarHBondContact O-N 2.91Å; R390-Q394 WeakPolarHBondContact O-CB 3.37Å; R390-Q394 PolarHBondContact O-N 3Å
391D92.2Very high90.9Very high60 Ų6066.7 Ų66.732%0.32132%0.322SS..Hα-helixtrans-65.2-40.8173.3179.661.2000112.1R358 R387 I388 L389 Y395R358-D391 IonicContact CZ-OD1 3.88Å; R358-D391 IonicContact CZ-OD2 3.78Å; R358-D391 IonicContact NE-OD1 3.44Å; R358-D391 IonicContact NE-OD2 3.47Å; R358-D391 PolarHBondContact NE-OD2 3.08Å; R358-D391 IonicContact NH2-OD1 3.4Å; R358-D391 PolarHBondContact NH2-OD1 3.07Å; R358-D391 IonicContact NH2-OD2 2.69Å; R358-D391 PolarHBondContact NH2-OD2 3.3Å; R387-D391 WeakPolarHBondContact O-CB 3.29Å; R387-D391 PolarHBondContact O-N 3.14Å; I388-D391 WeakPolarHBondContact O-CB 3.42Å; I388-D391 PolarHBondContact O-N 3.35Å; L389-D391 VanDerWaalsContact C-N 3.3Å; L389-D391 PolarHBondContact O-N 3.11Å; D391-Y395 WeakPolarHBondContact O-CB 3.46Å; D391-Y395 PolarHBondContact O-N 3.48Å
392I92.2Very high90.7Very high1 Ų173.3 Ų73.31%0.00535%0.353CS..Hα-helixtrans-62.5-47.9171.9-68.4166.7000110.6P355 R358 Y361 I388 L389 Q394 Y395 Y396P355-I392 HydrophobicContact CG-CD1 4.45Å; R358-I392 HydrophobicContact CG-CG1 4.14Å; Y361-I392 HydrophobicContact CD1-CG2 3.43Å; Y361-I392 VanDerWaalsContact CD1-CG2 3.43Å; Y361-I392 HydrophobicContact CD2-CD1 4.02Å; Y361-I392 HydrophobicContact CD2-CG2 4.16Å; Y361-I392 HydrophobicContact CE1-CG2 3.74Å; Y361-I392 HydrophobicContact CE2-CG2 4.41Å; Y361-I392 HydrophobicContact CG-CD1 4.18Å; Y361-I392 HydrophobicContact CG-CG2 3.67Å; I388-I392 HydrophobicContact CG2-CD1 4.3Å; I388-I392 WeakPolarHBondContact O-CG1 3.33Å; I388-I392 PolarHBondContact O-N 3.02Å; L389-I392 WeakPolarHBondContact O-CB 3.42Å; L389-I392 PolarHBondContact O-N 3.41Å; I392-Q394 PolarHBondContact O-N 3.08Å; I392-Y395 PolarHBondContact O-N 2.98Å; I392-Y396 HydrophobicContact CG2-CD2 3.89Å; I392-Y396 HydrophobicContact CG2-CE2 4.18Å; I392-Y396 WeakPolarHBondContact O-CD2 3.38Å; I392-Y396 PolarHBondContact O-N 3.5Å; I392-Y396 VanDerWaalsContact O-N 3.09Å
393E92.7Very high90.5Very high32 Ų3271.5 Ų71.515%0.1535%0.346CS..Hα-helixtrans-56.6-50.8179.4-173.3-178.6-140.200111.6L389 R390 S397 T398 I400L389-E393 WeakPolarHBondContact O-CB 3.26Å; L389-E393 PolarHBondContact O-N 3.09Å; R390-E393 WeakPolarHBondContact CD-OE2 3.25Å; R390-E393 IonicContact CZ-OE2 3.69Å; R390-E393 IonicContact NE-OE2 2.71Å; R390-E393 IonicContact NH1-OE1 2.74Å; R390-E393 PolarHBondContact NH1-OE1 3Å; R390-E393 IonicContact NH1-OE2 2.63Å; R390-E393 PolarHBondContact NH1-OE2 3.26Å; R390-E393 PolarHBondContact O-N 2.91Å; E393-S397 WeakPolarHBondContact O-CA 3.3Å; E393-S397 PolarHBondContact O-N 3.39Å; E393-T398 HydrophobicContact CG-CG2 4.47Å; E393-T398 WeakPolarHBondContact CG-O 3.09Å; E393-T398 PolarHBondContact O-N 3.17Å; E393-T398 VanDerWaalsContact O-N 3.12Å; E393-I400 HydrophobicContact CB-CD1 4.08Å; E393-I400 HydrophobicContact CB-CG1 4.3Å; E393-I400 HydrophobicContact CG-CG1 4.23Å; E393-I400 PolarHBondContact OE1-N 3.04Å
394Q93Very high90.2Very high158 Ų15869.4 Ų69.474%0.73834%0.338SS*.Hα-helixtrans-64.2-42.9178.3-176.3179.3-0.600112R390 I392 Y396 S397R390-Q394 WeakPolarHBondContact O-CB 3.37Å; R390-Q394 PolarHBondContact O-N 3Å; I392-Q394 PolarHBondContact O-N 3.08Å; Q394-Y396 PolarHBondContact O-N 2.96Å; Q394-S397 PolarHBondContact O-N 2.92Å
395Y89.9Confident89.4Confident53 Ų5373 Ų7321%0.20835%0.353CS..Hα-helixtrans-65.4-39.1-176.2-177.8-101.4000113R243 R358 D391 I392R243-Y395 VanDerWaalsContact CZ-OH 3.22Å; R243-Y395 PolarHBondContact NE-OH 3.46Å; R243-Y395 PolarHBondContact NH1-OH 3.45Å; R358-Y395 HydrophobicContact CB-CD1 4.41Å; D391-Y395 WeakPolarHBondContact O-CB 3.46Å; D391-Y395 PolarHBondContact O-N 3.48Å; I392-Y395 PolarHBondContact O-N 2.98Å
396Y89.5Confident88.3Confident2 Ų275.4 Ų75.41%0.00837%0.366CS..Hα-helixtrans-94.20.9178.3-67.1-64.7000113.9L246 T247 R358 E359 I362 I392 Q394 T398L246-Y396 HydrophobicContact CD1-CE1 4.19Å; T247-Y396 HydrophobicContact CG2-CG 4.44Å; R358-Y396 HydrophobicContact CB-CE2 3.95Å; R358-Y396 VanDerWaalsContact O-CE2 3.28Å; R358-Y396 WeakPolarHBondContact O-CE2 3.34Å; R358-Y396 PolarHBondContact O-OH 2.91Å; E359-Y396 WeakPolarHBondContact CA-OH 3.38Å; E359-Y396 PolarHBondContact N-OH 3.43Å; I362-Y396 HydrophobicContact CD1-CD1 4.07Å; I362-Y396 HydrophobicContact CD1-CD2 3.92Å; I362-Y396 HydrophobicContact CD1-CE1 4.09Å; I362-Y396 HydrophobicContact CD1-CE2 3.92Å; I362-Y396 HydrophobicContact CD1-CG 3.99Å; I362-Y396 HydrophobicContact CG1-CD1 4.19Å; I362-Y396 HydrophobicContact CG1-CD2 4.17Å; I362-Y396 HydrophobicContact CG1-CE1 3.68Å; I362-Y396 HydrophobicContact CG1-CE2 3.65Å; I362-Y396 HydrophobicContact CG1-CG 4.41Å; I392-Y396 HydrophobicContact CG2-CD2 3.89Å; I392-Y396 HydrophobicContact CG2-CE2 4.18Å; I392-Y396 WeakPolarHBondContact O-CD2 3.38Å; I392-Y396 PolarHBondContact O-N 3.5Å; I392-Y396 VanDerWaalsContact O-N 3.09Å; Q394-Y396 PolarHBondContact O-N 2.96Å; Y396-T398 PolarHBondContact O-N 3.21Å
397S90.5Very high87.2Confident88 Ų8873.5 Ų73.562%0.61536%0.357SS*.THydrogen-bonded Turntrans51.938.9-176.7-56.70000112.9E393 Q394E393-S397 WeakPolarHBondContact O-CA 3.3Å; E393-S397 PolarHBondContact O-N 3.39Å; Q394-S397 PolarHBondContact O-N 2.92Å
398T90.6Very high85.9Confident26 Ų2665.8 Ų65.816%0.1634%0.338CS..  trans-101.6173.6176.9-1730000110.4T247 Q253 E393 Y396 I400T247-T398 HydrophobicContact CG2-CG2 4.32Å; Q253-T398 PolarHBondContact NE2-OG1 3.08Å; E393-T398 HydrophobicContact CG-CG2 4.47Å; E393-T398 WeakPolarHBondContact CG-O 3.09Å; E393-T398 PolarHBondContact O-N 3.17Å; E393-T398 VanDerWaalsContact O-N 3.12Å; Y396-T398 PolarHBondContact O-N 3.21Å; T398-I400 HydrophobicContact CG2-CG1 4.25Å
399Q92Very high84.6Confident128 Ų12868.3 Ų68.360%0.59835%0.352SS*.  trans-115.5129.8171.7-175.5173.5-10.200109.5D401Q399-D401 WeakPolarHBondContact CG-OD1 3.12Å; Q399-D401 PolarHBondContact NE2-OD1 3.35Å
400I93.9Very high83.3Confident1 Ų171.2 Ų71.21%0.00537%0.368CS..  trans-120.9101.6175.1-49.3177.4000107.9Q253 F255 Y361 L389 E393 T398Q253-I400 HydrophobicContact CB-CB 4.44Å; Q253-I400 HydrophobicContact CB-CG1 4.1Å; Q253-I400 HydrophobicContact CB-CG2 4.2Å; Q253-I400 WeakPolarHBondContact O-CA 3.43Å; F255-I400 HydrophobicContact CB-CG2 4.29Å; F255-I400 HydrophobicContact CD1-CG2 4.13Å; Y361-I400 HydrophobicContact CE1-CD1 4.49Å; Y361-I400 WeakPolarHBondContact OH-CD1 3.34Å; L389-I400 HydrophobicContact CD1-CD1 3.57Å; L389-I400 HydrophobicContact CD1-CG2 4.36Å; L389-I400 HydrophobicContact CD2-CG2 4.05Å; L389-I400 HydrophobicContact CG-CD1 3.91Å; L389-I400 HydrophobicContact CG-CG2 4.46Å; E393-I400 HydrophobicContact CB-CD1 4.08Å; E393-I400 HydrophobicContact CB-CG1 4.3Å; E393-I400 HydrophobicContact CG-CG1 4.23Å; E393-I400 PolarHBondContact OE1-N 3.04Å; T398-I400 HydrophobicContact CG2-CG1 4.25Å
401D92.5Very high81.8Confident62 Ų6269.5 Ų69.533%0.33237%0.366SS..EExtended strand (participates in β ladder)trans-79.5152.1-173.7-67.1-42.3000111.5Q253 F254 F255 Q399 M403Q253-D401 PolarHBondContact O-N 3.26Å; F254-D401 CarbonylContact C-O 3.52Å; F254-D401 WeakPolarHBondContact CA-O 3.4Å; F254-D401 HydrophobicContact CD1-CB 3.82Å; F254-D401 HydrophobicContact CE1-CB 3.99Å; F255-D401 VanDerWaalsContact CD1-O 3.27Å; F255-D401 WeakPolarHBondContact CD1-O 3.39Å; F255-D401 PolarHBondContact N-O 2.92Å; Q399-D401 WeakPolarHBondContact CG-OD1 3.12Å; Q399-D401 PolarHBondContact NE2-OD1 3.35Å; D401-M403 PolarHBondContact O-N 3.43Å
402E91.6Very high81.2Confident140 Ų14070 Ų7065%0.65437%0.368SS*.EExtended strand (participates in β ladder)trans-66.7134.2166.3-169.7169.4-176.100108.7F255 P404F255-E402 HydrophobicContact CE1-CB 3.87Å; F255-E402 HydrophobicContact CE2-CB 4.33Å; F255-E402 HydrophobicContact CE2-CG 4.12Å; F255-E402 HydrophobicContact CZ-CB 3.68Å; F255-E402 HydrophobicContact CZ-CG 3.94Å; E402-P404 WeakPolarHBondContact O-CD 3.27Å
403M87.6Confident80.7Confident40 Ų4073.6 Ų73.620%0.19739%0.387CS..PPolyproline II helixtrans-64.1124.3-174.5-167.8177.376.800110.4F254 F255 V256 L271 I378 D401 V407F254-M403 HydrophobicContact CB-CB 4.1Å; F254-M403 HydrophobicContact CB-CG 4.32Å; F255-M403 WeakPolarHBondContact O-CB 3.46Å; F255-M403 PolarHBondContact O-N 3.14Å; V256-M403 HydrophobicContact CG2-CB 3.84Å; V256-M403 HydrophobicContact CG2-CE 3.48Å; V256-M403 VanDerWaalsContact CG2-CE 3.48Å; V256-M403 HydrophobicContact CG2-CG 4.36Å; V256-M403 HydrophobicContact CG2-SD 3.58Å; V256-M403 VanDerWaalsContact CG2-SD 3.58Å; L271-M403 HydrophobicContact CD1-SD 4.45Å; L271-M403 HydrophobicContact CD2-CE 4.02Å; L271-M403 HydrophobicContact CD2-SD 4.18Å; I378-M403 HydrophobicContact CD1-SD 3.97Å; I378-M403 HydrophobicContact CG1-SD 4.48Å; I378-M403 HydrophobicContact CG2-SD 4.04Å; D401-M403 PolarHBondContact O-N 3.43Å; M403-V407 HydrophobicContact CE-CG2 3.6Å; M403-V407 HydrophobicContact CG-CG2 3.92Å; M403-V407 HydrophobicContact SD-CG1 4.41Å; M403-V407 HydrophobicContact SD-CG2 3.63Å
404P78.7Confident80Confident56 Ų5675.9 Ų75.936%0.36440%0.4SS..PPolyproline II helixtrans-67.6151.1175.229-33.7000110E402 N406 L410E402-P404 WeakPolarHBondContact O-CD 3.27Å; P404-N406 PolarHBondContact O-N 2.86Å; P404-N406 VanDerWaalsContact O-N 3.1Å; P404-L410 HydrophobicContact CG-CD1 3.49Å; P404-L410 VanDerWaalsContact CG-CD1 3.49Å; P404-L410 HydrophobicContact CG-CG 4.4Å
405M68.2Low79.2Confident199 Ų19971.1 Ų71.198%0.9838%0.38SS*.SBendtrans-58-25.9179.5-76.3175.646.900113.9
406N66.6Low78.6Confident89 Ų8972.3 Ų72.348%0.47639%0.391SS..  trans-102.689179.4-167.55.8000110.7P404 D409P404-N406 PolarHBondContact O-N 2.86Å; P404-N406 VanDerWaalsContact O-N 3.1Å; N406-D409 PolarHBondContact ND2-OD2 3.47Å
407V64.6Low77.8Confident13 Ų1376.9 Ų76.98%0.07942%0.417CS..  trans-80.5-22.5-176.5-171.70000112.3L271 I378 M403 D409 L410 I411L271-V407 HydrophobicContact CD2-CB 4.17Å; L271-V407 HydrophobicContact CD2-CG1 3.94Å; L271-V407 HydrophobicContact CD2-CG2 3.89Å; I378-V407 HydrophobicContact CD1-CG1 4.5Å; M403-V407 HydrophobicContact CE-CG2 3.6Å; M403-V407 HydrophobicContact CG-CG2 3.92Å; M403-V407 HydrophobicContact SD-CG1 4.41Å; M403-V407 HydrophobicContact SD-CG2 3.63Å; V407-D409 PolarHBondContact O-N 3.31Å; V407-L410 WeakPolarHBondContact O-CB 3.45Å; V407-L410 PolarHBondContact O-N 2.96Å; V407-I411 HydrophobicContact CG1-CD1 3.97Å
408A61.5Low76.9Confident50 Ų5076.1 Ų76.141%0.41340%0.403SS..G310 helixtrans-62.1-31.1-176.100000113.2L410A408-L410 VanDerWaalsContact C-N 3.27Å; A408-L410 PolarHBondContact O-N 3.39Å
409D63.9Low75.9Confident132 Ų13280 Ų8071%0.70642%0.421SS*.G310 helixtrans-78.7-10178.8-66.7-31.4000113.3N406 V407N406-D409 PolarHBondContact ND2-OD2 3.47Å; V407-D409 PolarHBondContact O-N 3.31Å
410L65.2Low74.5Confident62 Ų6276 Ų7633%0.32541%0.407SS..G310 helixtrans-92.4-18.3-176.9-65.3173.7000113.7F254 V376 P404 V407 A408F254-L410 HydrophobicContact CD2-CD1 4.34Å; F254-L410 HydrophobicContact CE1-CD1 4.11Å; F254-L410 HydrophobicContact CE2-CD1 3.69Å; F254-L410 HydrophobicContact CE2-CD2 4.34Å; F254-L410 HydrophobicContact CE2-CG 4.44Å; F254-L410 HydrophobicContact CZ-CD1 3.56Å; F254-L410 HydrophobicContact CZ-CD2 3.82Å; F254-L410 HydrophobicContact CZ-CG 4.27Å; V376-L410 WeakPolarHBondContact CG2-O 3.44Å; P404-L410 HydrophobicContact CG-CD1 3.49Å; P404-L410 VanDerWaalsContact CG-CD1 3.49Å; P404-L410 HydrophobicContact CG-CG 4.4Å; V407-L410 WeakPolarHBondContact O-CB 3.45Å; V407-L410 PolarHBondContact O-N 2.96Å; A408-L410 VanDerWaalsContact C-N 3.27Å; A408-L410 PolarHBondContact O-N 3.39Å
411I60.1Low72.8Confident68 Ų6882.8 Ų82.835%0.34944%0.443SS..  trans-110.40-174.5-66.6160000109.3T274 I277 T278 L348 V376 V407T274-I411 HydrophobicContact CG2-CB 4.21Å; T274-I411 HydrophobicContact CG2-CD1 3.36Å; T274-I411 HydrophobicContact CG2-CG1 4.34Å; I277-I411 HydrophobicContact CB-CG2 4.48Å; I277-I411 HydrophobicContact CD1-CG2 4.49Å; T278-I411 HydrophobicContact CG2-CG2 4.46Å; L348-I411 HydrophobicContact CD2-CD1 3.47Å; L348-I411 VanDerWaalsContact CD2-CD1 3.47Å; L348-I411 HydrophobicContact CD2-CG1 4.19Å; V376-I411 HydrophobicContact CG2-CG1 4.32Å; V407-I411 HydrophobicContact CG1-CD1 3.97Å

Retrieved 411 of 411 residues in 193.2 ms (Link to these results)