A0A068F1Y2_RAT Loading...

Beta-actin

AlphaFold DB , UniProt , Accession A0A068F1Y2, Species RAT (Rattus norvegicus, Rat), Gene Actb, Length 186 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1Y44.7Very low49.9Very low286 Ų286143.2 Ų143.2100%1.12284%0.835SS**  0100.70-76.6-89.6000107.4
2N43.7Very low49.5Very low161 Ų161146 Ų14686%0.86183%0.834SS**  trans-71134.4-163.5-84-15.5000113L4N2-L4 PolarHBondContact O-N 3.17Å
3L50Low49.1Very low178 Ų178143.6 Ų143.693%0.93282%0.824SS**  trans-67.3113.6163-74.5150.5000108.9
4L52Low48.6Very low172 Ų172149.6 Ų149.690%0.90183%0.827SS**  trans-94.6101.8166.5-78.9165.3000108.1N2N2-L4 PolarHBondContact O-N 3.17Å
5A50.6Low47.9Very low95 Ų95150.4 Ų150.479%0.78582%0.821SS**PPolyproline II helixtrans-67.4134167.100000109.6
6A56.5Low47.3Very low90 Ų90152 Ų15274%0.74482%0.821SS**PPolyproline II helixtrans-63.6145.3173.300000110.8
7P55.4Low46.9Very low119 Ų119154.2 Ų154.277%0.77382%0.822SS**PPolyproline II helixtrans-69.1147.3177.128.9-33.1000110.8
8P50.9Low46.6Very low125 Ų125150.3 Ų150.381%0.81282%0.815SS**PPolyproline II helixtrans-69138.9177.229.1-31.8000110.2
9S52.3Low46.4Very low101 Ų101151.2 Ų151.271%0.70682%0.815SS**PPolyproline II helixtrans-58.1140.3172.640.50000111.1V11S9-V11 PolarHBondContact O-N 3.38Å; S9-V11 VanDerWaalsContact O-N 3.13Å
10P44.7Very low46.7Very low120 Ų120150.8 Ų150.878%0.77981%0.813SS**PPolyproline II helixtrans-65.7117.7-179.925.8-30.2000109.2H12P10-H12 PolarHBondContact O-N 3.34Å
11V48Very low47.3Very low128 Ų128151 Ų15178%0.77681%0.814SS**  trans-65102.3165.8179.40000105.9S9 T13S9-V11 PolarHBondContact O-N 3.38Å; S9-V11 VanDerWaalsContact O-N 3.13Å; V11-T13 PolarHBondContact O-N 3.31Å
12H44.7Very low48.7Very low177 Ų177144.6 Ų144.682%0.81980%0.799SS**  trans-6493.1160.3-99.7-5.6000106.6P10 R14P10-H12 PolarHBondContact O-N 3.34Å; H12-R14 PolarHBondContact O-N 2.94Å
13T45.4Very low50.7Low115 Ų115142 Ų14271%0.70678%0.784SS**  trans-61.490.1155.7-16.50000104.8V11 H15V11-T13 PolarHBondContact O-N 3.31Å; T13-H15 PolarHBondContact O-N 2.89Å
14R41.3Very low52.8Low227 Ų227135.3 Ų135.386%0.85776%0.755SS**  trans-59.8100.4165-154.7178.3-169.2179.82.1103H12 Q16H12-R14 PolarHBondContact O-N 2.94Å; R14-Q16 PolarHBondContact O-N 3.05Å
15H38.9Very low55Low162 Ų162128.5 Ų128.575%0.7572%0.723SS**  trans-54.896.5152.8-86.4-70.6000103.6T13 F17T13-H15 PolarHBondContact O-N 2.89Å; H15-F17 PolarHBondContact O-N 2.75Å
16Q37.1Very low57.2Low176 Ų176124 Ų12482%0.82269%0.686SS**  trans-55.396.2152.2-102.2170.7-18.400102.8R14 A18R14-Q16 PolarHBondContact O-N 3.05Å; Q16-A18 PolarHBondContact O-N 3.31Å
17F41.8Very low59.2Low190 Ų190122.1 Ų122.183%0.83367%0.665SS**  trans-51.7101.7141.8-72.7-83.9000103.1H15 M19H15-F17 PolarHBondContact O-N 2.75Å; F17-M19 VanDerWaalsContact C-N 3.34Å; F17-M19 PolarHBondContact O-N 2.96Å
18A40.7Very low61.3Low84 Ų84116.5 Ų116.569%0.69463%0.628SS**  trans-49.3116.2156.500000103.4Q16 D20Q16-A18 PolarHBondContact O-N 3.31Å; A18-D20 PolarHBondContact O-N 3.22Å
19M43.6Very low63.5Low167 Ų167112 Ų11282%0.82360%0.598SS**  trans-55.4117.2159.1-69.5-170.1165.200102.9F17 D21F17-M19 VanDerWaalsContact C-N 3.34Å; F17-M19 PolarHBondContact O-N 2.96Å; M19-D21 PolarHBondContact O-N 3.38Å
20D51.3Low65.5Low143 Ų143107.7 Ų107.777%0.76557%0.566SS**  trans-42.4129.1163.5-85.6-31.4000105.4A18 D22A18-D20 PolarHBondContact O-N 3.22Å; D20-D22 PolarHBondContact O-N 3.29Å
21D58.9Low67.8Low155 Ų155102.5 Ų102.583%0.82954%0.535SS*.  trans-48.5108.5173.2-78.5-38.8000106.4M19 I23M19-D21 PolarHBondContact O-N 3.38Å; D21-I23 PolarHBondContact O-N 3.02Å
22D74Confident70Confident151 Ų15197 Ų9781%0.80750%0.502SS*.  trans-56.3109.3-172-87.1-37.2000107.2D20 A24D20-D22 PolarHBondContact O-N 3.29Å; D22-A24 PolarHBondContact O-N 3.15Å
23I86.8Confident72.4Confident106 Ų10689.1 Ų89.154%0.54447%0.469SS..  trans-65.1110-176.5-59.2175.8000107.6D21 A25 E118 H119D21-I23 PolarHBondContact O-N 3.02Å; I23-A25 PolarHBondContact O-N 2.93Å; I23-E118 WeakPolarHBondContact CG2-O 3.36Å; I23-H119 HydrophobicContact CG2-CB 4.42Å; I23-H119 VanDerWaalsContact CG2-ND1 3.32Å; I23-H119 WeakPolarHBondContact CG2-ND1 3.15Å
24A94Very high74.8Confident39 Ų3987.2 Ų87.232%0.32245%0.453SS..PPolyproline II helixtrans-62.4129.3-177.700000110.4D22 F39 H119D22-A24 PolarHBondContact O-N 3.15Å; A24-F39 HydrophobicContact CB-CB 4.39Å; A24-F39 HydrophobicContact CB-CD1 4.17Å; A24-H119 PolarHBondContact O-ND1 3.39Å
25A97.4Very high77.5Confident29 Ų2976.5 Ų76.524%0.2441%0.412CS..PPolyproline II helixtrans-65.6145.8175.700000110.9I23 A40 P120I23-A25 PolarHBondContact O-N 2.93Å; A25-A40 HydrophobicContact CB-CB 4.07Å; A25-A40 WeakPolarHBondContact O-CB 3.32Å; A25-A40 PolarHBondContact O-N 3.3Å; A25-P120 CarbonylContact C-O 3.37Å; A25-P120 WeakPolarHBondContact CA-O 3.3Å; A25-P120 HydrophobicContact CB-CB 4.07Å; A25-P120 WeakPolarHBondContact CB-O 3.4Å
26L98.3Very high80.4Confident0 Ų072.7 Ų72.70%039%0.394CS..EExtended strand (participates in β ladder)trans-82.6136.9169.8-51.5-179.5000108.9F39 F108 L112 V114 H119 P120 V121 L122L26-F39 HydrophobicContact CD2-CD1 3.67Å; L26-F39 HydrophobicContact CD2-CE1 3.46Å; L26-F39 VanDerWaalsContact CD2-CE1 3.46Å; L26-F39 HydrophobicContact CD2-CG 4.47Å; L26-F39 HydrophobicContact CD2-CZ 4.11Å; L26-F108 HydrophobicContact CD1-CD1 3.7Å; L26-F108 HydrophobicContact CD1-CE1 3.74Å; L26-L112 HydrophobicContact CD2-CD1 4.21Å; L26-V114 HydrophobicContact CD1-CG2 3.71Å; L26-V114 HydrophobicContact CD2-CG2 4.13Å; L26-H119 HydrophobicContact CD1-CB 3.97Å; L26-H119 HydrophobicContact CD2-CB 4.26Å; L26-H119 HydrophobicContact CG-CB 3.73Å; L26-P120 PolarHBondContact N-O 2.99Å; L26-V121 HydrophobicContact CB-CG1 4.4Å; L26-V121 HydrophobicContact CB-CG2 4.31Å; L26-V121 HydrophobicContact CD1-CG2 4.24Å; L26-V121 CarbonylContact O-C 3.57Å; L26-V121 WeakPolarHBondContact O-CA 3.44Å; L26-L122 PolarHBondContact O-N 3.03Å
27V98.4Very high83.3Confident51 Ų5164.4 Ų64.431%0.30936%0.355SS..EExtended strand (participates in β ladder)trans-112.6122173.4179.90000107.8A37 G38 A40 L122V27-A37 CarbonylContact O-C 3.48Å; V27-A37 WeakPolarHBondContact O-CA 3.47Å; V27-G38 PolarHBondContact N-O 2.99Å; V27-G38 PolarHBondContact O-N 3.04Å; V27-A40 HydrophobicContact CG2-CB 4.23Å; V27-L122 HydrophobicContact CG1-CD2 4.25Å; V27-L122 HydrophobicContact CG2-CB 4.45Å
28V98.3Very high86Confident0 Ų055.6 Ų55.60%032%0.318CS..EExtended strand (participates in β ladder)trans-127.2111.2-178.6-1770000109.8A37 T107 F108 V121 L122 L123 T124V28-A37 HydrophobicContact CG2-CB 4.22Å; V28-T107 HydrophobicContact CG1-CG2 4.42Å; V28-T107 HydrophobicContact CG2-CG2 4.17Å; V28-F108 HydrophobicContact CG2-CE1 4.05Å; V28-V121 HydrophobicContact CG2-CG1 4.34Å; V28-L122 PolarHBondContact N-O 2.81Å; V28-L123 HydrophobicContact CB-CD2 3.8Å; V28-L123 HydrophobicContact CG1-CD2 3.98Å; V28-L123 WeakPolarHBondContact O-CA 3.35Å; V28-T124 PolarHBondContact O-N 3.31Å
29D97.6Very high88.7Confident32 Ų3253 Ų5317%0.17129%0.291CS..EExtended strand (participates in β ladder)trans-92.4112.6173.2177.735.5000110.9G31 K36 T124 Q155D29-G31 PolarHBondContact O-N 3.25Å; D29-G31 VanDerWaalsContact O-N 3.11Å; D29-K36 HydrophobicContact CB-CB 4.24Å; D29-K36 PolarHBondContact N-O 2.78Å; D29-K36 PolarHBondContact O-N 3.44Å; D29-K36 VanDerWaalsContact O-N 3.12Å; D29-K36 IonicContact OD2-NZ 2.71Å; D29-K36 PolarHBondContact OD2-NZ 3.35Å; D29-T124 VanDerWaalsContact CA-OG1 3.26Å; D29-T124 WeakPolarHBondContact CA-OG1 3.22Å; D29-T124 HydrophobicContact CB-CG2 4.07Å; D29-T124 PolarHBondContact OD1-OG1 2.76Å; D29-Q155 PolarHBondContact OD1-NE2 3.29Å; D29-Q155 VanDerWaalsContact OD1-NE2 3.09Å
30N94.4Very high91.2Very high9 Ų947.5 Ų47.55%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-86.971.8-175.5-57.6-61.9000110.7I89 M100 W104 L123 T124N30-I89 HydrophobicContact CB-CD1 4.16Å; N30-M100 HydrophobicContact CB-CE 4.24Å; N30-M100 WeakPolarHBondContact OD1-CE 3.39Å; N30-W104 PolarHBondContact OD1-NE1 3.46Å; N30-L123 WeakPolarHBondContact ND2-CD2 3.42Å; N30-T124 PolarHBondContact N-OG1 2.91Å; N30-T124 VanDerWaalsContact N-OG1 3.08Å; N30-T124 PolarHBondContact ND2-O 3.45Å
31G93.5Very high93.2Very high12 Ų1244.5 Ų44.512%0.12428%0.275CS..  trans-75.5147.1177.200000113.2D29 M34 S51D29-G31 PolarHBondContact O-N 3.25Å; D29-G31 VanDerWaalsContact O-N 3.11Å; G31-M34 WeakPolarHBondContact CA-O 3.38Å; G31-M34 PolarHBondContact N-O 3.05Å; G31-S51 WeakPolarHBondContact O-CB 3.17Å; G31-S51 PolarHBondContact O-OG 2.99Å
32S93.1Very high95Very high12 Ų1240 Ų408%0.08425%0.251CS..SBendtrans-62.5-41.6177.941.20000113.4G176S32-G176 PolarHBondContact OG-N 3.33Å
33G94.9Very high95.9Very high11 Ų1141.4 Ų41.411%0.11326%0.258CS..SBendtrans-91.2-43.1175.500000113.6P50 S51 D175G33-P50 WeakPolarHBondContact O-CA 3.44Å; G33-S51 PolarHBondContact O-N 3.21Å; G33-D175 WeakPolarHBondContact CA-OD2 3.35Å
34M97.4Very high96.3Very high76 Ų7639.4 Ų39.437%0.37426%0.258SS..EExtended strand (participates in β ladder)trans-132.4132.1-174-57.7-64.6-70.300110.9G31 V48 F49 P50 S51G31-M34 WeakPolarHBondContact CA-O 3.38Å; G31-M34 PolarHBondContact N-O 3.05Å; M34-V48 HydrophobicContact CB-CG1 4.44Å; M34-V48 HydrophobicContact CE-CG1 3.71Å; M34-F49 CarbonylContact C-O 3.51Å; M34-F49 WeakPolarHBondContact CA-O 3.48Å; M34-F49 VanDerWaalsContact CE-C 3.46Å; M34-P50 HydrophobicContact CE-CG 4.35Å; M34-P50 HydrophobicContact SD-CB 4.26Å; M34-P50 HydrophobicContact SD-CG 4.11Å; M34-S51 VanDerWaalsContact C-OG 3.27Å
35C97.7Very high96.5Very high1 Ų140.5 Ų40.51%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-85.2137.7165.7-175.70000108.7V48 F49 S51 I103C35-V48 WeakPolarHBondContact O-CA 3.35Å; C35-F49 HydrophobicContact CB-CD1 4.44Å; C35-F49 HydrophobicContact CB-CD2 4.33Å; C35-F49 HydrophobicContact CB-CE1 3.91Å; C35-F49 HydrophobicContact CB-CE2 3.79Å; C35-F49 HydrophobicContact CB-CZ 3.56Å; C35-F49 PolarHBondContact N-O 3.49Å; C35-F49 PolarHBondContact O-N 3.04Å; C35-S51 PolarHBondContact N-OG 2.82Å; C35-I103 HydrophobicContact CB-CG2 4.43Å
36K98.4Very high96.5Very high83 Ų8346.8 Ų46.836%0.36128%0.279SS..EExtended strand (participates in β ladder)trans-125133.1175.1-48.5175.7-157.4110.30108.6D29 P45 A47 V48D29-K36 HydrophobicContact CB-CB 4.24Å; D29-K36 PolarHBondContact N-O 2.78Å; D29-K36 PolarHBondContact O-N 3.44Å; D29-K36 VanDerWaalsContact O-N 3.12Å; D29-K36 IonicContact OD2-NZ 2.71Å; D29-K36 PolarHBondContact OD2-NZ 3.35Å; K36-P45 HydrophobicContact CB-CB 4.03Å; K36-P45 HydrophobicContact CB-CG 4.3Å; K36-A47 CarbonylContact C-O 3.48Å; K36-A47 WeakPolarHBondContact CA-O 3.29Å; K36-V48 HydrophobicContact CB-CG2 4.36Å; K36-V48 HydrophobicContact CG-CG1 4.21Å; K36-V48 HydrophobicContact CG-CG2 4.18Å
37A98.4Very high96.5Very high2 Ų247 Ų472%0.01728%0.281CS..EExtended strand (participates in β ladder)trans-144.5151.1-17900000112.7V27 V28 P45 R46 A47 T107 L112V27-A37 CarbonylContact O-C 3.48Å; V27-A37 WeakPolarHBondContact O-CA 3.47Å; V28-A37 HydrophobicContact CG2-CB 4.22Å; A37-P45 CarbonylContact O-C 3.59Å; A37-R46 PolarHBondContact O-N 2.87Å; A37-A47 PolarHBondContact N-O 2.88Å; A37-A47 PolarHBondContact O-N 2.99Å; A37-T107 HydrophobicContact CB-CG2 3.35Å; A37-L112 HydrophobicContact CB-CD1 4.06Å; A37-L112 HydrophobicContact CB-CD2 4.43Å; A37-L112 HydrophobicContact CB-CG 4.39Å
38G98.2Very high96.5Very high5 Ų547.9 Ų47.95%0.05229%0.286CS..EExtended strand (participates in β ladder)trans-173.4-170179.400000112V27V27-G38 PolarHBondContact N-O 2.99Å; V27-G38 PolarHBondContact O-N 3.04Å
39F97.6Very high96.5Very high30 Ų3048 Ų4813%0.13229%0.287CS..EExtended strand (participates in β ladder)trans-100.1144176.7-63.2-97.1000110A24 L26 G41 D42 R46 L112 V114A24-F39 HydrophobicContact CB-CB 4.39Å; A24-F39 HydrophobicContact CB-CD1 4.17Å; L26-F39 HydrophobicContact CD2-CD1 3.67Å; L26-F39 HydrophobicContact CD2-CE1 3.46Å; L26-F39 VanDerWaalsContact CD2-CE1 3.46Å; L26-F39 HydrophobicContact CD2-CG 4.47Å; L26-F39 HydrophobicContact CD2-CZ 4.11Å; F39-G41 PolarHBondContact O-N 3.45Å; F39-D42 PolarHBondContact N-OD2 2.71Å; F39-D42 WeakPolarHBondContact O-CB 3.4Å; F39-D42 PolarHBondContact O-N 3.04Å; F39-D42 VanDerWaalsContact O-N 3.1Å; F39-R46 VanDerWaalsContact CD2-CZ 3.47Å; F39-L112 HydrophobicContact CE2-CD2 4.24Å; F39-V114 HydrophobicContact CE1-CG1 3.94Å; F39-V114 HydrophobicContact CZ-CG1 3.59Å
40A96.4Very high96.5Very high50 Ų5047.2 Ų47.241%0.41328%0.284SS..THydrogen-bonded Turntrans-56.5130.2170.500000109.5A25 V27A25-A40 HydrophobicContact CB-CB 4.07Å; A25-A40 WeakPolarHBondContact O-CB 3.32Å; A25-A40 PolarHBondContact O-N 3.3Å; V27-A40 HydrophobicContact CG2-CB 4.23Å
41G94.3Very high96.6Very high80 Ų8046.9 Ų46.983%0.82528%0.282SS*.THydrogen-bonded Turntrans98.3-14.7-175.900000114.8F39F39-G41 PolarHBondContact O-N 3.45Å
42D95.1Very high96.8Very high62 Ų6246.4 Ų46.433%0.33228%0.276SS..  trans-72.6143.1169.2-68.8-28000110.6F39 A44 R46F39-D42 PolarHBondContact N-OD2 2.71Å; F39-D42 WeakPolarHBondContact O-CB 3.4Å; F39-D42 PolarHBondContact O-N 3.04Å; F39-D42 VanDerWaalsContact O-N 3.1Å; D42-A44 VanDerWaalsContact C-N 3.25Å; D42-A44 PolarHBondContact O-N 3.46Å; D42-R46 IonicContact OD1-CZ 3.29Å; D42-R46 IonicContact OD1-NE 3.04Å; D42-R46 IonicContact OD1-NH2 3.85Å; D42-R46 PolarHBondContact OD1-NH2 2.87Å; D42-R46 WeakPolarHBondContact OD2-CG 3.49Å; D42-R46 IonicContact OD2-CZ 3.57Å; D42-R46 IonicContact OD2-NE 3.3Å; D42-R46 PolarHBondContact OD2-NE 2.94Å; D42-R46 IonicContact OD2-NH2 3.37Å; D42-R46 PolarHBondContact OD2-NH2 3.04Å
43D93.8Very high97.1Very high179 Ų17945.8 Ų45.896%0.95727%0.272SS*.SBendtrans-71-19.1178.5-70.8-35.5000113.6
44A95.8Very high97.1Very high64 Ų6445.3 Ų45.353%0.52927%0.267SS..SBendtrans-150155.2-175.900000110.5D42 R46D42-A44 VanDerWaalsContact C-N 3.25Å; D42-A44 PolarHBondContact O-N 3.46Å; A44-R46 PolarHBondContact O-N 2.93Å
45P97.4Very high97Very high63 Ų6345.3 Ų45.341%0.40926%0.263SS..  trans-61.3137.6174.427.1-35.1000110.5K36 A37 V48K36-P45 HydrophobicContact CB-CB 4.03Å; K36-P45 HydrophobicContact CB-CG 4.3Å; A37-P45 CarbonylContact O-C 3.59Å; P45-V48 HydrophobicContact CB-CG2 4.04Å; P45-V48 HydrophobicContact CG-CG2 3.63Å
46R97.5Very high96.7Very high160 Ų16047.4 Ų47.460%0.60428%0.277SS*.SBendtrans-74.5-30.3174.8-66.8-164.3-178.6-179.91.1112.6A37 F39 D42 A44 L112A37-R46 PolarHBondContact O-N 2.87Å; F39-R46 VanDerWaalsContact CD2-CZ 3.47Å; D42-R46 IonicContact OD1-CZ 3.29Å; D42-R46 IonicContact OD1-NE 3.04Å; D42-R46 IonicContact OD1-NH2 3.85Å; D42-R46 PolarHBondContact OD1-NH2 2.87Å; D42-R46 WeakPolarHBondContact OD2-CG 3.49Å; D42-R46 IonicContact OD2-CZ 3.57Å; D42-R46 IonicContact OD2-NE 3.3Å; D42-R46 PolarHBondContact OD2-NE 2.94Å; D42-R46 IonicContact OD2-NH2 3.37Å; D42-R46 PolarHBondContact OD2-NH2 3.04Å; A44-R46 PolarHBondContact O-N 2.93Å; R46-L112 HydrophobicContact CB-CD2 4.18Å
47A97.9Very high96.2Very high5 Ų550.2 Ų50.24%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-127.1134.4-178.900000110.3K36 A37 E111 L112K36-A47 CarbonylContact C-O 3.48Å; K36-A47 WeakPolarHBondContact CA-O 3.29Å; A37-A47 PolarHBondContact N-O 2.88Å; A37-A47 PolarHBondContact O-N 2.99Å; A47-E111 HydrophobicContact CB-CB 3.69Å; A47-E111 HydrophobicContact CB-CG 4.18Å; A47-L112 HydrophobicContact CB-CD2 4.49Å
48V98.3Very high95.4Very high70 Ų7056.5 Ų56.542%0.42431%0.314SS..EExtended strand (participates in β ladder)trans-141.2113.6173.9-1790000107.6M34 C35 K36 P45M34-V48 HydrophobicContact CB-CG1 4.44Å; M34-V48 HydrophobicContact CE-CG1 3.71Å; C35-V48 WeakPolarHBondContact O-CA 3.35Å; K36-V48 HydrophobicContact CB-CG2 4.36Å; K36-V48 HydrophobicContact CG-CG1 4.21Å; K36-V48 HydrophobicContact CG-CG2 4.18Å; P45-V48 HydrophobicContact CB-CG2 4.04Å; P45-V48 HydrophobicContact CG-CG2 3.63Å
49F98.3Very high93.9Very high1 Ų165.6 Ų65.60%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-145.1157.7-174.764.2-90.4000112M34 C35 S51 V72 I103 H106 T107 E111M34-F49 CarbonylContact C-O 3.51Å; M34-F49 WeakPolarHBondContact CA-O 3.48Å; M34-F49 VanDerWaalsContact CE-C 3.46Å; C35-F49 HydrophobicContact CB-CD1 4.44Å; C35-F49 HydrophobicContact CB-CD2 4.33Å; C35-F49 HydrophobicContact CB-CE1 3.91Å; C35-F49 HydrophobicContact CB-CE2 3.79Å; C35-F49 HydrophobicContact CB-CZ 3.56Å; C35-F49 PolarHBondContact N-O 3.49Å; C35-F49 PolarHBondContact O-N 3.04Å; F49-S51 PolarHBondContact O-N 2.84Å; F49-V72 HydrophobicContact CE2-CG1 4.26Å; F49-I103 HydrophobicContact CE2-CG2 4.09Å; F49-I103 HydrophobicContact CZ-CG2 4.12Å; F49-H106 AromaticContact CD2-CD2 3.97Å; F49-H106 AromaticContact CE2-CD2 3.69Å; F49-H106 AromaticContact CZ-CD2 3.84Å; F49-T107 WeakPolarHBondContact CZ-OG1 3.46Å; F49-E111 HydrophobicContact CD1-CG 3.87Å; F49-E111 HydrophobicContact CE1-CG 3.88Å
50P97.9Very high92.4Very high17 Ų1766.1 Ų66.111%0.1137%0.369CS..EExtended strand (participates in β ladder)trans-62.2134.1-179.6-24.234.7000113.3G33 M34 I52 G73 D74G33-P50 WeakPolarHBondContact O-CA 3.44Å; M34-P50 HydrophobicContact CE-CG 4.35Å; M34-P50 HydrophobicContact SD-CB 4.26Å; M34-P50 HydrophobicContact SD-CG 4.11Å; P50-I52 HydrophobicContact CB-CD1 4.05Å; P50-I52 HydrophobicContact CB-CG1 4.01Å; P50-I52 HydrophobicContact CB-CG2 4.36Å; P50-I52 PolarHBondContact O-N 3.15Å; P50-G73 WeakPolarHBondContact O-CA 3.36Å; P50-D74 WeakPolarHBondContact CD-OD1 3.4Å
51S97.5Very high90.6Very high1 Ų167.6 Ų67.61%0.00737%0.373CS..  trans-7762.3177.9-65.20000111.8G31 G33 M34 C35 F49 P88G31-S51 WeakPolarHBondContact O-CB 3.17Å; G31-S51 PolarHBondContact O-OG 2.99Å; G33-S51 PolarHBondContact O-N 3.21Å; M34-S51 VanDerWaalsContact C-OG 3.27Å; C35-S51 PolarHBondContact N-OG 2.82Å; F49-S51 PolarHBondContact O-N 2.84Å; S51-P88 WeakPolarHBondContact O-CD 3.39Å
52I97.6Very high89.1Confident2 Ų264.9 Ų64.91%0.0134%0.339CS..  trans-131.3147.1-174.667179.8000112.4P50 V72 G73 A76 Q77 L85 K86 Y87P50-I52 HydrophobicContact CB-CD1 4.05Å; P50-I52 HydrophobicContact CB-CG1 4.01Å; P50-I52 HydrophobicContact CB-CG2 4.36Å; P50-I52 PolarHBondContact O-N 3.15Å; I52-V72 WeakPolarHBondContact O-CA 3.39Å; I52-G73 PolarHBondContact O-N 3Å; I52-G73 VanDerWaalsContact O-N 3.15Å; I52-A76 HydrophobicContact CD1-CB 3.94Å; I52-A76 HydrophobicContact CG1-CB 3.95Å; I52-Q77 HydrophobicContact CD1-CB 3.79Å; I52-Q77 VanDerWaalsContact CD1-OE1 3.28Å; I52-L85 HydrophobicContact CD1-CD1 4.31Å; I52-L85 HydrophobicContact CD1-CD2 4.48Å; I52-K86 WeakPolarHBondContact CA-O 3.45Å; I52-Y87 HydrophobicContact CG2-CD1 3.54Å; I52-Y87 HydrophobicContact CG2-CE1 3.22Å; I52-Y87 HydrophobicContact CG2-CG 4.31Å
53V97.8Very high87.2Confident0 Ų068.8 Ų68.80%037%0.365CS..EExtended strand (participates in β ladder)trans-122122.6170.5-177.70000109.3Y71 V72 K86 D99 K102 I103V53-Y71 CarbonylContact C-O 3.52Å; V53-Y71 WeakPolarHBondContact CA-O 3.46Å; V53-V72 HydrophobicContact CG2-CG2 4.39Å; V53-K86 PolarHBondContact N-O 2.89Å; V53-K86 PolarHBondContact O-N 3.37Å; V53-D99 HydrophobicContact CB-CB 4.21Å; V53-D99 HydrophobicContact CG2-CB 3.83Å; V53-D99 WeakPolarHBondContact CG2-O 3.4Å; V53-K102 HydrophobicContact CG1-CD 4.01Å; V53-K102 HydrophobicContact CG2-CB 4.4Å; V53-I103 HydrophobicContact CG2-CG1 4.04Å
54G96.6Very high85.7Confident0 Ų064.3 Ų64.30%036%0.36CS..EExtended strand (participates in β ladder)trans-104.6133.5177.500000112.4S70 Y71 T84G54-S70 CarbonylContact O-C 3.57Å; G54-S70 WeakPolarHBondContact O-CA 3.34Å; G54-Y71 PolarHBondContact N-O 2.86Å; G54-Y71 PolarHBondContact O-N 3.36Å; G54-T84 WeakPolarHBondContact CA-O 3.35Å
55R94.2Very high84Confident76 Ų7667 Ų6729%0.28736%0.363SS..EExtended strand (participates in β ladder)trans-119.5142.5172.1-69-180177.180.9-11.3111.4R57 L83 T84 D99R55-R57 PolarHBondContact O-N 2.93Å; R55-L83 CarbonylContact O-C 3.55Å; R55-L83 VanDerWaalsContact O-CA 3.29Å; R55-L83 WeakPolarHBondContact O-CA 3.41Å; R55-T84 PolarHBondContact N-O 2.83Å; R55-T84 PolarHBondContact O-N 3.48Å; R55-D99 IonicContact CZ-OD1 2.96Å; R55-D99 IonicContact CZ-OD2 3.76Å; R55-D99 VanDerWaalsContact NH1-CG 3.29Å; R55-D99 IonicContact NH1-OD1 3.89Å; R55-D99 PolarHBondContact NH1-OD1 2.96Å; R55-D99 IonicContact NH1-OD2 2.59Å; R55-D99 PolarHBondContact NH1-OD2 2.93Å; R55-D99 IonicContact NH2-OD1 3.76Å; R55-D99 PolarHBondContact NH2-OD1 2.78Å; R55-D99 IonicContact NH2-OD2 2.81Å
56P91.3Very high82.3Confident46 Ų4666.2 Ų66.230%0.29937%0.367SS..EExtended strand (participates in β ladder)trans-58.4134-179.8-21.531.8000112.8M62 D69 Y71 L83P56-M62 HydrophobicContact CB-CE 3.81Å; P56-M62 HydrophobicContact CG-CE 3.56Å; P56-D69 WeakPolarHBondContact CD-O 3.4Å; P56-Y71 HydrophobicContact CG-CE2 4.35Å; P56-L83 HydrophobicContact CB-CD2 4.38Å; P56-L83 HydrophobicContact CG-CD2 4.23Å
57R87.3Confident80.8Confident141 Ų14165.3 Ų65.353%0.53237%0.37SS..SBendtrans-70.8-34.6177.5-72-178.9-172.7-162.43.2113.4R55 I82 L83 T84R55-R57 PolarHBondContact O-N 2.93Å; R57-I82 PolarHBondContact N-O 2.96Å; R57-L83 PolarHBondContact NE-O 3.06Å; R57-L83 PolarHBondContact NH2-O 3.11Å; R57-T84 WeakPolarHBondContact CG-OG1 3.41Å
58H81.6Confident79.8Confident134 Ų13469.8 Ų69.862%0.6239%0.388SS*.SBendtrans-135.4132.5-176.9-57.1-59.5000109.4V61H58-V61 HydrophobicContact CB-CG2 3.7Å
59Q68.8Low79.2Confident196 Ų19673.1 Ų73.192%0.91640%0.403SS*.THydrogen-bonded Turntrans-63.7133.5174.7-74.5-179.8-12.500109.9
60G65.7Low79Confident41 Ų4174.5 Ų74.542%0.42341%0.414SS..THydrogen-bonded Turntrans90.8-0.5173.300000117.1M62G60-M62 PolarHBondContact O-N 2.86Å
61V58.2Low78.8Confident82 Ų8273.9 Ų73.950%0.49741%0.409SS..  trans-68.3-21.6177.7178.10000112.6H58 V63 I82H58-V61 HydrophobicContact CB-CG2 3.7Å; V61-V63 PolarHBondContact O-N 2.77Å; V61-I82 HydrophobicContact CG1-CG2 4.26Å
62M62Low78.8Confident22 Ų2274.4 Ų74.411%0.10841%0.412CS..  trans-99.762.4-176.9-72.9-175-101.600112.6P56 G60 G64 M65 Y71 I82 L83P56-M62 HydrophobicContact CB-CE 3.81Å; P56-M62 HydrophobicContact CG-CE 3.56Å; G60-M62 PolarHBondContact O-N 2.86Å; M62-G64 PolarHBondContact O-N 3.1Å; M62-M65 HydrophobicContact CB-CB 4.22Å; M62-Y71 HydrophobicContact CE-CE2 3.66Å; M62-Y71 HydrophobicContact SD-CE2 4.03Å; M62-Y71 PolarHBondContact SD-OH 3.02Å; M62-I82 HydrophobicContact CE-CD1 4.23Å; M62-I82 HydrophobicContact CG-CD1 4.07Å; M62-I82 HydrophobicContact SD-CD1 4.05Å; M62-L83 HydrophobicContact CE-CD2 4Å
63V56Low78.8Confident145 Ų14574.3 Ų74.388%0.87941%0.412SS*.THydrogen-bonded Turntrans-65.6113.3170.1-1780000108.6V61V61-V63 PolarHBondContact O-N 2.77Å
64G62.2Low78.7Confident84 Ų8479 Ų7987%0.86644%0.436SS*.THydrogen-bonded Turntrans99.8-5.9175.400000116.9M62M62-G64 PolarHBondContact O-N 3.1Å
65M60.5Low78.6Confident121 Ų12182.3 Ų82.360%0.59645%0.452SS*.SBendtrans-102.65.3-176.2-110.7-177169.700115.4M62M62-M65 HydrophobicContact CB-CB 4.22Å
66G62.1Low78.7Confident47 Ų4778.7 Ų78.749%0.48544%0.438SS..  trans74.9135.9-168.600000110.9K68G66-K68 VanDerWaalsContact C-N 3.28Å; G66-K68 PolarHBondContact O-N 3.32Å
67Q65.1Low78.8Confident141 Ų14180 Ų8066%0.65944%0.44SS*.  trans-76.183.9174.1-71.1-85.4-16.700108.1
68K77.4Confident79.1Confident99 Ų9977.7 Ų77.743%0.4345%0.446SS..  trans-86.5130.8165.8-75.4-172.2-177.71780109.5G66 S70 Y71 E75G66-K68 VanDerWaalsContact C-N 3.28Å; G66-K68 PolarHBondContact O-N 3.32Å; K68-S70 VanDerWaalsContact C-N 3.28Å; K68-S70 PolarHBondContact O-N 3.39Å; K68-Y71 HydrophobicContact CB-CE1 4.17Å; K68-Y71 HydrophobicContact CB-CE2 4.23Å; K68-Y71 HydrophobicContact CD-CD1 4.44Å; K68-Y71 HydrophobicContact CD-CE1 3.96Å; K68-E75 IonicContact NZ-OE2 3.31Å; K68-E75 PolarHBondContact NZ-OE2 2.94Å
69D85.7Confident79.6Confident139 Ų13972.7 Ų72.774%0.74342%0.423SS*.SBendtrans-72.6-23179.3-62.5-36000112.9P56P56-D69 WeakPolarHBondContact CD-O 3.4Å
70S93Very high80.7Confident31 Ų3171.4 Ų71.422%0.21741%0.41CS..  trans-152.7157.4178.461.20000112.7G54 K68 K102G54-S70 CarbonylContact O-C 3.57Å; G54-S70 WeakPolarHBondContact O-CA 3.34Å; K68-S70 VanDerWaalsContact C-N 3.28Å; K68-S70 PolarHBondContact O-N 3.39Å; S70-K102 WeakPolarHBondContact OG-CD 3.27Å
71Y95Very high81.9Confident3 Ų372.5 Ų72.51%0.01242%0.42CS..EExtended strand (participates in β ladder)trans-127.3147.4177.5-63.4-85.6000108.5V53 G54 P56 M62 K68 E75 K79 L83V53-Y71 CarbonylContact C-O 3.52Å; V53-Y71 WeakPolarHBondContact CA-O 3.46Å; G54-Y71 PolarHBondContact N-O 2.86Å; G54-Y71 PolarHBondContact O-N 3.36Å; P56-Y71 HydrophobicContact CG-CE2 4.35Å; M62-Y71 HydrophobicContact CE-CE2 3.66Å; M62-Y71 HydrophobicContact SD-CE2 4.03Å; M62-Y71 PolarHBondContact SD-OH 3.02Å; K68-Y71 HydrophobicContact CB-CE1 4.17Å; K68-Y71 HydrophobicContact CB-CE2 4.23Å; K68-Y71 HydrophobicContact CD-CD1 4.44Å; K68-Y71 HydrophobicContact CD-CE1 3.96Å; Y71-E75 HydrophobicContact CD1-CB 4.46Å; Y71-E75 HydrophobicContact CD1-CG 3.68Å; Y71-E75 VanDerWaalsContact CD1-OE1 3.3Å; Y71-E75 WeakPolarHBondContact CD1-OE1 3.44Å; Y71-E75 HydrophobicContact CE1-CG 4.31Å; Y71-E75 WeakPolarHBondContact CE1-OE1 3.37Å; Y71-K79 HydrophobicContact CD1-CD 4.22Å; Y71-K79 HydrophobicContact CE1-CD 4.12Å; Y71-L83 HydrophobicContact CD2-CD1 3.62Å; Y71-L83 HydrophobicContact CD2-CD2 3.68Å; Y71-L83 HydrophobicContact CD2-CG 4.33Å; Y71-L83 HydrophobicContact CE2-CD2 3.94Å; Y71-L83 HydrophobicContact CG-CD1 3.82Å
72V97.3Very high83.5Confident13 Ų1371.7 Ų71.78%0.07941%0.413CS..EExtended strand (participates in β ladder)trans-128.4150.8-178.5-176.90000109.2F49 I52 V53 E75 K102 I103 H106F49-V72 HydrophobicContact CE2-CG1 4.26Å; I52-V72 WeakPolarHBondContact O-CA 3.39Å; V53-V72 HydrophobicContact CG2-CG2 4.39Å; V72-E75 PolarHBondContact O-N 2.98Å; V72-K102 HydrophobicContact CG2-CB 4.17Å; V72-I103 HydrophobicContact CG1-CG1 4.02Å; V72-H106 HydrophobicContact CB-CB 3.98Å; V72-H106 HydrophobicContact CG1-CB 3.73Å; V72-H106 HydrophobicContact CG2-CB 4.31Å
73G96.9Very high85Confident0 Ų070.6 Ų70.60%041%0.407CS..Hα-helixtrans62.4-137.8170.600000114.1P50 I52 E75 A76 Q77P50-G73 WeakPolarHBondContact O-CA 3.36Å; I52-G73 PolarHBondContact O-N 3Å; I52-G73 VanDerWaalsContact O-N 3.15Å; G73-E75 PolarHBondContact O-N 3.17Å; G73-A76 WeakPolarHBondContact O-CB 3.41Å; G73-A76 PolarHBondContact O-N 2.83Å; G73-Q77 PolarHBondContact O-N 3.13Å
74D96.5Very high86.9Confident97 Ų9766.9 Ų66.952%0.51939%0.385SS..Hα-helixtrans-61.9-30.4-176-66.8-42.4000113.1P50 A76 Q77 S78P50-D74 WeakPolarHBondContact CD-OD1 3.4Å; D74-A76 VanDerWaalsContact C-N 3.34Å; D74-Q77 PolarHBondContact O-N 2.92Å; D74-S78 WeakPolarHBondContact O-CB 3.34Å; D74-S78 PolarHBondContact O-N 3.45Å; D74-S78 PolarHBondContact O-OG 2.8Å
75E94Very high88.5Confident70 Ų7065 Ų6533%0.32736%0.355SS..Hα-helixtrans-66.3-39.2175.8-162.9-178.8178.300111K68 Y71 V72 G73 S78 K79K68-E75 IonicContact NZ-OE2 3.31Å; K68-E75 PolarHBondContact NZ-OE2 2.94Å; Y71-E75 HydrophobicContact CD1-CB 4.46Å; Y71-E75 HydrophobicContact CD1-CG 3.68Å; Y71-E75 VanDerWaalsContact CD1-OE1 3.3Å; Y71-E75 WeakPolarHBondContact CD1-OE1 3.44Å; Y71-E75 HydrophobicContact CE1-CG 4.31Å; Y71-E75 WeakPolarHBondContact CE1-OE1 3.37Å; V72-E75 PolarHBondContact O-N 2.98Å; G73-E75 PolarHBondContact O-N 3.17Å; E75-S78 PolarHBondContact O-OG 3.45Å; E75-K79 HydrophobicContact CG-CD 4.31Å; E75-K79 WeakPolarHBondContact O-CB 3.47Å; E75-K79 WeakPolarHBondContact O-CG 3.44Å; E75-K79 PolarHBondContact O-N 2.86Å; E75-K79 IonicContact OE1-NZ 2.75Å; E75-K79 PolarHBondContact OE1-NZ 3.06Å
76A95.2Very high90.2Very high0 Ų064.1 Ų64.10%035%0.348CS..Hα-helixtrans-68.7-42.6174.100000111.3I52 G73 D74 K79 R80 L83 L85I52-A76 HydrophobicContact CD1-CB 3.94Å; I52-A76 HydrophobicContact CG1-CB 3.95Å; G73-A76 WeakPolarHBondContact O-CB 3.41Å; G73-A76 PolarHBondContact O-N 2.83Å; D74-A76 VanDerWaalsContact C-N 3.34Å; A76-K79 CarbonylContact O-C 3.54Å; A76-K79 PolarHBondContact O-N 2.81Å; A76-R80 PolarHBondContact O-N 3.4Å; A76-L83 HydrophobicContact CB-CD1 4.36Å; A76-L85 HydrophobicContact CB-CD2 3.93Å
77Q94.1Very high91.9Very high73 Ų7367.3 Ų67.334%0.34135%0.346SS..Hα-helixtrans-62.9-45.7-178.6-170.567-3.600111.9I52 G73 D74 K79 R80I52-Q77 HydrophobicContact CD1-CB 3.79Å; I52-Q77 VanDerWaalsContact CD1-OE1 3.28Å; G73-Q77 PolarHBondContact O-N 3.13Å; D74-Q77 PolarHBondContact O-N 2.92Å; Q77-K79 PolarHBondContact O-N 3.12Å; Q77-R80 WeakPolarHBondContact O-CB 3.45Å; Q77-R80 PolarHBondContact O-N 2.97Å
78S94.1Very high93.4Very high94 Ų9460.6 Ų60.666%0.65732%0.315SS*.Hα-helixtrans-63.9-28.4178.158.70000112.7D74 E75D74-S78 WeakPolarHBondContact O-CB 3.34Å; D74-S78 PolarHBondContact O-N 3.45Å; D74-S78 PolarHBondContact O-OG 2.8Å; E75-S78 PolarHBondContact O-OG 3.45Å
79K92.3Very high94.2Very high28 Ų2856.2 Ų56.212%0.12230%0.296CS..THydrogen-bonded Turntrans-99.716.7-179.6-65.2174.3179.6175.80113.7Y71 E75 A76 Q77 G81 I82 L83Y71-K79 HydrophobicContact CD1-CD 4.22Å; Y71-K79 HydrophobicContact CE1-CD 4.12Å; E75-K79 HydrophobicContact CG-CD 4.31Å; E75-K79 WeakPolarHBondContact O-CB 3.47Å; E75-K79 WeakPolarHBondContact O-CG 3.44Å; E75-K79 PolarHBondContact O-N 2.86Å; E75-K79 IonicContact OE1-NZ 2.75Å; E75-K79 PolarHBondContact OE1-NZ 3.06Å; A76-K79 CarbonylContact O-C 3.54Å; A76-K79 PolarHBondContact O-N 2.81Å; Q77-K79 PolarHBondContact O-N 3.12Å; K79-G81 PolarHBondContact O-N 3.37Å; K79-I82 HydrophobicContact CB-CD1 4.47Å; K79-I82 HydrophobicContact CB-CG1 4.17Å; K79-I82 WeakPolarHBondContact O-CG1 3.4Å; K79-I82 PolarHBondContact O-N 3.11Å; K79-L83 HydrophobicContact CB-CD1 3.57Å; K79-L83 HydrophobicContact CB-CG 3.85Å; K79-L83 WeakPolarHBondContact O-CG 3.42Å; K79-L83 PolarHBondContact O-N 3.32Å; K79-L83 VanDerWaalsContact O-N 3.15Å
80R92.4Very high94.6Very high170 Ų17054.7 Ų54.764%0.64228%0.284SS*.THydrogen-bonded Turntrans-53-23.9-177.372.1-179.6-172.5174.11.1115.9A76 Q77 I82 L85A76-R80 PolarHBondContact O-N 3.4Å; Q77-R80 WeakPolarHBondContact O-CB 3.45Å; Q77-R80 PolarHBondContact O-N 2.97Å; R80-I82 VanDerWaalsContact C-N 3.34Å; R80-L85 HydrophobicContact CB-CD1 3.73Å; R80-L85 HydrophobicContact CB-CG 4.43Å
81G91Very high94.4Very high63 Ų6359.5 Ų59.565%0.64930%0.303SS*.THydrogen-bonded Turntrans-70.2-27.5178.300000114.1K79K79-G81 PolarHBondContact O-N 3.37Å
82I91.3Very high94.2Very high65 Ų6560 Ų6033%0.33331%0.309SS..THydrogen-bonded Turntrans-115.3-7.3-177.361.1171000113.1R57 V61 M62 K79 R80R57-I82 PolarHBondContact N-O 2.96Å; V61-I82 HydrophobicContact CG1-CG2 4.26Å; M62-I82 HydrophobicContact CE-CD1 4.23Å; M62-I82 HydrophobicContact CG-CD1 4.07Å; M62-I82 HydrophobicContact SD-CD1 4.05Å; K79-I82 HydrophobicContact CB-CD1 4.47Å; K79-I82 HydrophobicContact CB-CG1 4.17Å; K79-I82 WeakPolarHBondContact O-CG1 3.4Å; K79-I82 PolarHBondContact O-N 3.11Å; R80-I82 VanDerWaalsContact C-N 3.34Å
83L93.8Very high94Very high0 Ų061.7 Ų61.70%032%0.317CS..EExtended strand (participates in β ladder)trans-106.7151.3178.8-55.7-177000111.6R55 P56 R57 M62 Y71 A76 K79 L85R55-L83 CarbonylContact O-C 3.55Å; R55-L83 VanDerWaalsContact O-CA 3.29Å; R55-L83 WeakPolarHBondContact O-CA 3.41Å; P56-L83 HydrophobicContact CB-CD2 4.38Å; P56-L83 HydrophobicContact CG-CD2 4.23Å; R57-L83 PolarHBondContact NE-O 3.06Å; R57-L83 PolarHBondContact NH2-O 3.11Å; M62-L83 HydrophobicContact CE-CD2 4Å; Y71-L83 HydrophobicContact CD2-CD1 3.62Å; Y71-L83 HydrophobicContact CD2-CD2 3.68Å; Y71-L83 HydrophobicContact CD2-CG 4.33Å; Y71-L83 HydrophobicContact CE2-CD2 3.94Å; Y71-L83 HydrophobicContact CG-CD1 3.82Å; A76-L83 HydrophobicContact CB-CD1 4.36Å; K79-L83 HydrophobicContact CB-CD1 3.57Å; K79-L83 HydrophobicContact CB-CG 3.85Å; K79-L83 WeakPolarHBondContact O-CG 3.42Å; K79-L83 PolarHBondContact O-N 3.32Å; K79-L83 VanDerWaalsContact O-N 3.15Å; L83-L85 HydrophobicContact CB-CD2 4.08Å
84T94.6Very high94Very high67 Ų6762.4 Ų62.441%0.41132%0.321SS..EExtended strand (participates in β ladder)trans-91.9113.2159.7-600000107.3G54 R55 R57G54-T84 WeakPolarHBondContact CA-O 3.35Å; R55-T84 PolarHBondContact N-O 2.83Å; R55-T84 PolarHBondContact O-N 3.48Å; R57-T84 WeakPolarHBondContact CG-OG1 3.41Å
85L96.1Very high93.9Very high43 Ų4361.3 Ų61.323%0.22532%0.318CS..EExtended strand (participates in β ladder)trans-87.6138.1179.2-56.9-176.4000110.4I52 A76 R80 L83I52-L85 HydrophobicContact CD1-CD1 4.31Å; I52-L85 HydrophobicContact CD1-CD2 4.48Å; A76-L85 HydrophobicContact CB-CD2 3.93Å; R80-L85 HydrophobicContact CB-CD1 3.73Å; R80-L85 HydrophobicContact CB-CG 4.43Å; L83-L85 HydrophobicContact CB-CD2 4.08Å
86K97.1Very high94Very high104 Ų10460.2 Ų60.245%0.45231%0.314SS..EExtended strand (participates in β ladder)trans-128.4148.8172.9-68.6-170.1176.4-1730110.2I52 V53I52-K86 WeakPolarHBondContact CA-O 3.45Å; V53-K86 PolarHBondContact N-O 2.89Å; V53-K86 PolarHBondContact O-N 3.37Å
87Y96.7Very high94.1Very high114 Ų11462.4 Ų62.445%0.44732%0.323SS..  trans-110.8110176.9-61.8-98.1000107.3I52 I89I52-Y87 HydrophobicContact CG2-CD1 3.54Å; I52-Y87 HydrophobicContact CG2-CE1 3.22Å; I52-Y87 HydrophobicContact CG2-CG 4.31Å; Y87-I89 PolarHBondContact O-N 3.28Å
88P96.3Very high94.3Very high0 Ų064.3 Ų64.30%034%0.335CS..SBendtrans-76.4-7.7-177.628.3-31.1000113.7S51 V94 T95 N96 D99 M100 I103S51-P88 WeakPolarHBondContact O-CD 3.39Å; P88-V94 CarbonylContact O-C 3.53Å; P88-V94 WeakPolarHBondContact O-CA 3.35Å; P88-T95 PolarHBondContact O-N 3.34Å; P88-T95 PolarHBondContact O-OG1 2.98Å; P88-N96 HydrophobicContact CB-CB 4.25Å; P88-N96 WeakPolarHBondContact CB-O 3.45Å; P88-N96 PolarHBondContact O-N 3.46Å; P88-D99 HydrophobicContact CB-CB 3.76Å; P88-D99 HydrophobicContact CG-CB 4.26Å; P88-M100 HydrophobicContact CB-CB 4.41Å; P88-M100 HydrophobicContact CG-SD 4.42Å; P88-I103 HydrophobicContact CG-CD1 3.3Å; P88-I103 HydrophobicContact CG-CG1 4.3Å
89I95.9Very high94.4Very high6 Ų659.9 Ų59.93%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-121113.7178.6-55171.3000108N30 Y87 I93 V94 M100N30-I89 HydrophobicContact CB-CD1 4.16Å; Y87-I89 PolarHBondContact O-N 3.28Å; I89-I93 CarbonylContact C-O 3.55Å; I89-I93 WeakPolarHBondContact CA-O 3.35Å; I89-V94 HydrophobicContact CG1-CG2 4.26Å; I89-M100 HydrophobicContact CD1-CE 4.1Å; I89-M100 HydrophobicContact CD1-SD 3.77Å; I89-M100 HydrophobicContact CG1-SD 3.83Å
90E92.7Very high94.7Very high108 Ų10858.6 Ų58.651%0.50530%0.299SS..EExtended strand (participates in β ladder)trans-113.1127.8175.8-65-179.4-169.100109G92 I93 T95E90-G92 PolarHBondContact O-N 2.7Å; E90-G92 VanDerWaalsContact O-N 3.07Å; E90-I93 PolarHBondContact N-O 3.43Å; E90-I93 PolarHBondContact O-N 2.82Å; E90-T95 HydrophobicContact CB-CG2 3.86Å; E90-T95 HydrophobicContact CG-CG2 4.12Å
91H89.8Confident95Very high132 Ų13253.8 Ų53.861%0.61128%0.284SS*.THydrogen-bonded Turntrans51.731.9-178.1-54.9-61000114.5I93 G176H91-I93 VanDerWaalsContact C-N 3.34Å; H91-G176 PolarHBondContact ND1-O 3.44Å
92G89.5Confident95.3Very high13 Ų1353.6 Ų53.613%0.13427%0.265CS..THydrogen-bonded Turntrans84.8-0.1-179.500000115E90 A126E90-G92 PolarHBondContact O-N 2.7Å; E90-G92 VanDerWaalsContact O-N 3.07Å; G92-A126 WeakPolarHBondContact O-CB 3.41Å
93I93.9Very high95.6Very high48 Ų4850.5 Ų50.525%0.24625%0.249CC..EExtended strand (participates in β ladder)trans-109.4133.7178.9-57.3-61000109.9I89 E90 H91 T95 A126 N129 N133I89-I93 CarbonylContact C-O 3.55Å; I89-I93 WeakPolarHBondContact CA-O 3.35Å; E90-I93 PolarHBondContact N-O 3.43Å; E90-I93 PolarHBondContact O-N 2.82Å; H91-I93 VanDerWaalsContact C-N 3.34Å; I93-T95 PolarHBondContact O-N 2.61Å; I93-A126 HydrophobicContact CD1-CB 4.33Å; I93-N129 HydrophobicContact CD1-CB 4.46Å; I93-N133 VanDerWaalsContact CG2-ND2 3.31Å; I93-N133 WeakPolarHBondContact CG2-ND2 3.27Å
94V95.9Very high95.8Very high15 Ų1550.5 Ų50.59%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-67.9120.4174.1-177.80000109.4P88 I89 W97 M100P88-V94 CarbonylContact O-C 3.53Å; P88-V94 WeakPolarHBondContact O-CA 3.35Å; I89-V94 HydrophobicContact CG1-CG2 4.26Å; V94-W97 HydrophobicContact CB-CH2 3.99Å; V94-W97 HydrophobicContact CB-CZ2 4.01Å; V94-W97 HydrophobicContact CB-CZ3 4.3Å; V94-W97 HydrophobicContact CG1-CD2 3.8Å; V94-W97 HydrophobicContact CG1-CE3 3.82Å; V94-W97 HydrophobicContact CG1-CG 4.39Å; V94-W97 HydrophobicContact CG1-CH2 4.11Å; V94-W97 HydrophobicContact CG1-CZ2 4.07Å; V94-W97 HydrophobicContact CG1-CZ3 4Å; V94-W97 HydrophobicContact CG2-CH2 4.27Å; V94-W97 HydrophobicContact CG2-CZ3 4.41Å; V94-M100 HydrophobicContact CG1-CB 3.87Å; V94-M100 HydrophobicContact CG1-CG 4.05Å; V94-M100 HydrophobicContact CG2-CG 4.24Å; V94-M100 HydrophobicContact CG2-SD 4.25Å
95T95.4Very high96Very high75 Ų7551.8 Ų51.846%0.4625%0.25SS..  trans-107.1-21.7178.758.60000112.8P88 E90 I93P88-T95 PolarHBondContact O-N 3.34Å; P88-T95 PolarHBondContact O-OG1 2.98Å; E90-T95 HydrophobicContact CB-CG2 3.86Å; E90-T95 HydrophobicContact CG-CG2 4.12Å; I93-T95 PolarHBondContact O-N 2.61Å
96N97.1Very high96.1Very high46 Ų4650.9 Ų50.925%0.24625%0.245CC..  trans-133.6103.9178.2-169.9-48.1000111.4P88 D98 D99 M100P88-N96 HydrophobicContact CB-CB 4.25Å; P88-N96 WeakPolarHBondContact CB-O 3.45Å; P88-N96 PolarHBondContact O-N 3.46Å; N96-D98 PolarHBondContact OD1-N 2.78Å; N96-D99 HydrophobicContact CB-CB 4.21Å; N96-D99 PolarHBondContact O-N 2.97Å; N96-D99 PolarHBondContact OD1-N 3.04Å; N96-M100 WeakPolarHBondContact O-CB 3.18Å; N96-M100 PolarHBondContact O-N 2.78Å
97W97.2Very high96.1Very high47 Ų4746 Ų4618%0.17822%0.223CC..Hα-helixtrans-70.6-35.4-177.3-66100.6000113.5V94 D99 M100 E101 W104 N133 K136 M137 I140V94-W97 HydrophobicContact CB-CH2 3.99Å; V94-W97 HydrophobicContact CB-CZ2 4.01Å; V94-W97 HydrophobicContact CB-CZ3 4.3Å; V94-W97 HydrophobicContact CG1-CD2 3.8Å; V94-W97 HydrophobicContact CG1-CE3 3.82Å; V94-W97 HydrophobicContact CG1-CG 4.39Å; V94-W97 HydrophobicContact CG1-CH2 4.11Å; V94-W97 HydrophobicContact CG1-CZ2 4.07Å; V94-W97 HydrophobicContact CG1-CZ3 4Å; V94-W97 HydrophobicContact CG2-CH2 4.27Å; V94-W97 HydrophobicContact CG2-CZ3 4.41Å; W97-D99 PolarHBondContact O-N 3.36Å; W97-M100 PolarHBondContact O-N 2.83Å; W97-E101 WeakPolarHBondContact O-CB 3.48Å; W97-E101 PolarHBondContact O-N 2.79Å; W97-W104 HydrophobicContact CE3-CH2 4.43Å; W97-W104 AromaticContact CZ3-CH2 3.97Å; W97-W104 HydrophobicContact CZ3-CH2 3.97Å; W97-W104 HydrophobicContact CZ3-CZ3 4.44Å; W97-N133 HydrophobicContact CH2-CB 4.2Å; W97-N133 WeakPolarHBondContact CH2-O 3.4Å; W97-N133 HydrophobicContact CZ2-CB 3.86Å; W97-K136 HydrophobicContact CD2-CB 4.34Å; W97-K136 HydrophobicContact CD2-CG 3.54Å; W97-K136 HydrophobicContact CE3-CB 4.49Å; W97-K136 HydrophobicContact CE3-CG 3.85Å; W97-K136 HydrophobicContact CG-CG 3.99Å; W97-K136 HydrophobicContact CH2-CB 3.97Å; W97-K136 HydrophobicContact CH2-CG 4.2Å; W97-K136 HydrophobicContact CZ2-CB 3.79Å; W97-K136 HydrophobicContact CZ2-CG 3.92Å; W97-K136 HydrophobicContact CZ3-CB 4.3Å; W97-K136 HydrophobicContact CZ3-CG 4.15Å; W97-M137 HydrophobicContact CH2-CB 4.13Å; W97-M137 HydrophobicContact CZ3-CB 3.99Å; W97-I140 HydrophobicContact CB-CD1 4.32Å; W97-I140 HydrophobicContact CD2-CD1 4.26Å; W97-I140 HydrophobicContact CE3-CD1 3.53Å; W97-I140 HydrophobicContact CZ3-CD1 4.23Å
98D97.1Very high96.2Very high112 Ų11240.5 Ų40.560%0.59920%0.202SC*.Hα-helixtrans-64.2-33.4177.9-59.7-19.7000111.8N96 K102N96-D98 PolarHBondContact OD1-N 2.78Å; D98-K102 WeakPolarHBondContact O-CG 3.46Å; D98-K102 PolarHBondContact O-NZ 2.79Å
99D97.4Very high96.3Very high1 Ų145 Ų451%0.00522%0.219CC..Hα-helixtrans-83.2-33.9177-76.3-8.6000111.4V53 R55 P88 N96 W97 K102 I103V53-D99 HydrophobicContact CB-CB 4.21Å; V53-D99 HydrophobicContact CG2-CB 3.83Å; V53-D99 WeakPolarHBondContact CG2-O 3.4Å; R55-D99 IonicContact CZ-OD1 2.96Å; R55-D99 IonicContact CZ-OD2 3.76Å; R55-D99 VanDerWaalsContact NH1-CG 3.29Å; R55-D99 IonicContact NH1-OD1 3.89Å; R55-D99 PolarHBondContact NH1-OD1 2.96Å; R55-D99 IonicContact NH1-OD2 2.59Å; R55-D99 PolarHBondContact NH1-OD2 2.93Å; R55-D99 IonicContact NH2-OD1 3.76Å; R55-D99 PolarHBondContact NH2-OD1 2.78Å; R55-D99 IonicContact NH2-OD2 2.81Å; P88-D99 HydrophobicContact CB-CB 3.76Å; P88-D99 HydrophobicContact CG-CB 4.26Å; N96-D99 HydrophobicContact CB-CB 4.21Å; N96-D99 PolarHBondContact O-N 2.97Å; N96-D99 PolarHBondContact OD1-N 3.04Å; W97-D99 PolarHBondContact O-N 3.36Å; D99-K102 PolarHBondContact O-N 3.46Å; D99-K102 IonicContact OD1-NZ 3.89Å; D99-K102 PolarHBondContact OD1-NZ 2.86Å; D99-I103 PolarHBondContact O-N 3.24Å; D99-I103 VanDerWaalsContact O-N 3.11Å
100M97.9Very high96.3Very high1 Ų148.4 Ų48.41%0.00524%0.238CC..Hα-helixtrans-63.4-41172.4-165.865-149.900112.1N30 P88 I89 V94 N96 W97 K102 I103 W104N30-M100 HydrophobicContact CB-CE 4.24Å; N30-M100 WeakPolarHBondContact OD1-CE 3.39Å; P88-M100 HydrophobicContact CB-CB 4.41Å; P88-M100 HydrophobicContact CG-SD 4.42Å; I89-M100 HydrophobicContact CD1-CE 4.1Å; I89-M100 HydrophobicContact CD1-SD 3.77Å; I89-M100 HydrophobicContact CG1-SD 3.83Å; V94-M100 HydrophobicContact CG1-CB 3.87Å; V94-M100 HydrophobicContact CG1-CG 4.05Å; V94-M100 HydrophobicContact CG2-CG 4.24Å; V94-M100 HydrophobicContact CG2-SD 4.25Å; N96-M100 WeakPolarHBondContact O-CB 3.18Å; N96-M100 PolarHBondContact O-N 2.78Å; W97-M100 PolarHBondContact O-N 2.83Å; M100-K102 VanDerWaalsContact C-N 3.28Å; M100-K102 PolarHBondContact O-N 3.24Å; M100-I103 HydrophobicContact CE-CB 4.46Å; M100-I103 HydrophobicContact CE-CG2 4.13Å; M100-I103 WeakPolarHBondContact O-CA 3.37Å; M100-I103 WeakPolarHBondContact O-CB 3.35Å; M100-I103 PolarHBondContact O-N 3.1Å; M100-W104 HydrophobicContact CB-CZ3 4.39Å; M100-W104 HydrophobicContact CE-CD2 4.04Å; M100-W104 HydrophobicContact CE-CG 4.38Å; M100-W104 HydrophobicContact CE-CH2 4.46Å; M100-W104 HydrophobicContact CE-CZ2 3.58Å; M100-W104 HydrophobicContact CG-CD2 4.09Å; M100-W104 HydrophobicContact CG-CE3 4Å; M100-W104 HydrophobicContact CG-CH2 3.55Å; M100-W104 HydrophobicContact CG-CZ2 3.64Å; M100-W104 HydrophobicContact CG-CZ3 3.74Å; M100-W104 PolarHBondContact O-N 2.76Å; M100-W104 HydrophobicContact SD-CZ2 4.42Å
101E97.8Very high96.6Very high70 Ų7047 Ų4733%0.32723%0.231SC..Hα-helixtrans-60.4-38.5175.6-169-179.812400111.8W97 I103 W104 H105 I140 T144 F145W97-E101 WeakPolarHBondContact O-CB 3.48Å; W97-E101 PolarHBondContact O-N 2.79Å; E101-I103 VanDerWaalsContact C-N 3.34Å; E101-I103 PolarHBondContact O-N 3.21Å; E101-W104 PolarHBondContact O-N 3.06Å; E101-H105 WeakPolarHBondContact O-CB 3.47Å; E101-H105 PolarHBondContact O-N 3.15Å; E101-I140 HydrophobicContact CG-CG2 4.22Å; E101-T144 HydrophobicContact CG-CG2 4.39Å; E101-F145 HydrophobicContact CG-CE2 3.94Å; E101-F145 HydrophobicContact CG-CZ 3.84Å
102K97.7Very high96.9Very high59 Ų5941.5 Ų41.526%0.25721%0.206SC..Hα-helixtrans-65.5-36.6173.6-67.9178.8-167.874.90112.5V53 S70 V72 D98 D99 M100 H106V53-K102 HydrophobicContact CG1-CD 4.01Å; V53-K102 HydrophobicContact CG2-CB 4.4Å; S70-K102 WeakPolarHBondContact OG-CD 3.27Å; V72-K102 HydrophobicContact CG2-CB 4.17Å; D98-K102 WeakPolarHBondContact O-CG 3.46Å; D98-K102 PolarHBondContact O-NZ 2.79Å; D99-K102 PolarHBondContact O-N 3.46Å; D99-K102 IonicContact OD1-NZ 3.89Å; D99-K102 PolarHBondContact OD1-NZ 2.86Å; M100-K102 VanDerWaalsContact C-N 3.28Å; M100-K102 PolarHBondContact O-N 3.24Å; K102-H106 WeakPolarHBondContact O-CB 3.47Å; K102-H106 PolarHBondContact O-N 3.46Å
103I98.1Very high97.3Very high0 Ų051 Ų510%024%0.238CC..Hα-helixtrans-61.9-50173.3-71.1-177.1000109.9C35 F49 V53 V72 P88 D99 M100 E101 H105 H106 T107C35-I103 HydrophobicContact CB-CG2 4.43Å; F49-I103 HydrophobicContact CE2-CG2 4.09Å; F49-I103 HydrophobicContact CZ-CG2 4.12Å; V53-I103 HydrophobicContact CG2-CG1 4.04Å; V72-I103 HydrophobicContact CG1-CG1 4.02Å; P88-I103 HydrophobicContact CG-CD1 3.3Å; P88-I103 HydrophobicContact CG-CG1 4.3Å; D99-I103 PolarHBondContact O-N 3.24Å; D99-I103 VanDerWaalsContact O-N 3.11Å; M100-I103 HydrophobicContact CE-CB 4.46Å; M100-I103 HydrophobicContact CE-CG2 4.13Å; M100-I103 WeakPolarHBondContact O-CA 3.37Å; M100-I103 WeakPolarHBondContact O-CB 3.35Å; M100-I103 PolarHBondContact O-N 3.1Å; E101-I103 VanDerWaalsContact C-N 3.34Å; E101-I103 PolarHBondContact O-N 3.21Å; I103-H105 PolarHBondContact O-N 2.99Å; I103-H106 WeakPolarHBondContact O-CB 3.32Å; I103-H106 PolarHBondContact O-N 2.84Å; I103-H106 VanDerWaalsContact O-N 3.13Å; I103-T107 PolarHBondContact O-N 3.25Å; I103-T107 PolarHBondContact O-OG1 2.65Å
104W98.4Very high97.4Very high0 Ų049.8 Ų49.80%023%0.233CC..Hα-helixtrans-64-39.8179-69.4-41.7000113.2N30 W97 M100 E101 H106 T107 F108 L123 M137 I140 M141 F145N30-W104 PolarHBondContact OD1-NE1 3.46Å; W97-W104 HydrophobicContact CE3-CH2 4.43Å; W97-W104 AromaticContact CZ3-CH2 3.97Å; W97-W104 HydrophobicContact CZ3-CH2 3.97Å; W97-W104 HydrophobicContact CZ3-CZ3 4.44Å; M100-W104 HydrophobicContact CB-CZ3 4.39Å; M100-W104 HydrophobicContact CE-CD2 4.04Å; M100-W104 HydrophobicContact CE-CG 4.38Å; M100-W104 HydrophobicContact CE-CH2 4.46Å; M100-W104 HydrophobicContact CE-CZ2 3.58Å; M100-W104 HydrophobicContact CG-CD2 4.09Å; M100-W104 HydrophobicContact CG-CE3 4Å; M100-W104 HydrophobicContact CG-CH2 3.55Å; M100-W104 HydrophobicContact CG-CZ2 3.64Å; M100-W104 HydrophobicContact CG-CZ3 3.74Å; M100-W104 PolarHBondContact O-N 2.76Å; M100-W104 HydrophobicContact SD-CZ2 4.42Å; E101-W104 PolarHBondContact O-N 3.06Å; W104-H106 VanDerWaalsContact C-N 3.29Å; W104-H106 PolarHBondContact O-N 3.05Å; W104-T107 WeakPolarHBondContact O-CB 3.38Å; W104-T107 PolarHBondContact O-N 3.08Å; W104-T107 VanDerWaalsContact O-N 3.17Å; W104-F108 HydrophobicContact CB-CD2 4.45Å; W104-F108 HydrophobicContact CB-CE2 4.04Å; W104-F108 WeakPolarHBondContact O-CD2 3.46Å; W104-F108 WeakPolarHBondContact O-CG 3.19Å; W104-F108 PolarHBondContact O-N 3.43Å; W104-L123 HydrophobicContact CZ2-CD2 4.38Å; W104-M137 HydrophobicContact CH2-CB 4.3Å; W104-M137 HydrophobicContact CH2-CG 3.75Å; W104-M137 HydrophobicContact CZ2-CE 4.26Å; W104-M137 HydrophobicContact CZ2-CG 4Å; W104-M137 HydrophobicContact CZ2-SD 4.5Å; W104-I140 HydrophobicContact CE3-CG2 4.08Å; W104-I140 HydrophobicContact CZ3-CB 4.34Å; W104-I140 HydrophobicContact CZ3-CD1 4.16Å; W104-I140 HydrophobicContact CZ3-CG2 3.96Å; W104-M141 HydrophobicContact CB-CE 4.23Å; W104-M141 HydrophobicContact CD2-CE 3.26Å; W104-M141 VanDerWaalsContact CE2-CE 3.43Å; W104-M141 HydrophobicContact CE3-CE 3.62Å; W104-M141 HydrophobicContact CG-CE 3.56Å; W104-M141 HydrophobicContact CH2-CE 4.22Å; W104-M141 HydrophobicContact CZ2-CE 3.93Å; W104-M141 HydrophobicContact CZ3-CE 4.09Å; W104-F145 HydrophobicContact CB-CE2 3.78Å; W104-F145 HydrophobicContact CB-CZ 3.72Å; W104-F145 HydrophobicContact CE3-CE2 4.12Å
105H98.1Very high97.5Very high94 Ų9450.2 Ų50.244%0.43524%0.238SC..Hα-helixtrans-58.3-44.4172.7-176.3-64.8000111E101 I103 Y109 F145E101-H105 WeakPolarHBondContact O-CB 3.47Å; E101-H105 PolarHBondContact O-N 3.15Å; I103-H105 PolarHBondContact O-N 2.99Å; H105-Y109 HydrophobicContact CB-CD2 4.5Å; H105-Y109 AromaticContact CD2-CD2 3.67Å; H105-Y109 AromaticContact CD2-CE2 3.8Å; H105-Y109 AromaticContact CE1-CD2 3.56Å; H105-Y109 AromaticContact CG-CD2 3.74Å; H105-Y109 AromaticContact ND1-CD2 3.68Å; H105-Y109 AromaticContact NE2-CD2 3.58Å; H105-Y109 AromaticContact NE2-CE2 3.89Å; H105-Y109 WeakPolarHBondContact O-CB 3.48Å; H105-Y109 WeakPolarHBondContact O-CD2 3.34Å; H105-Y109 PolarHBondContact O-N 2.94Å; H105-F145 HydrophobicContact CB-CE1 4.16Å; H105-F145 HydrophobicContact CB-CZ 4.28Å
106H97.9Very high97.5Very high24 Ų2446.6 Ų46.611%0.11122%0.216CC..Iπ-helixtrans-62.9-44175.2-177.269.2000111.7F49 V72 K102 I103 W104 F108 N110 E111F49-H106 AromaticContact CD2-CD2 3.97Å; F49-H106 AromaticContact CE2-CD2 3.69Å; F49-H106 AromaticContact CZ-CD2 3.84Å; V72-H106 HydrophobicContact CB-CB 3.98Å; V72-H106 HydrophobicContact CG1-CB 3.73Å; V72-H106 HydrophobicContact CG2-CB 4.31Å; K102-H106 WeakPolarHBondContact O-CB 3.47Å; K102-H106 PolarHBondContact O-N 3.46Å; I103-H106 WeakPolarHBondContact O-CB 3.32Å; I103-H106 PolarHBondContact O-N 2.84Å; I103-H106 VanDerWaalsContact O-N 3.13Å; W104-H106 VanDerWaalsContact C-N 3.29Å; W104-H106 PolarHBondContact O-N 3.05Å; H106-F108 PolarHBondContact O-N 3.09Å; H106-N110 WeakPolarHBondContact ND1-CB 3.49Å; H106-N110 WeakPolarHBondContact O-CA 3.49Å; H106-N110 VanDerWaalsContact O-CB 3.27Å; H106-N110 WeakPolarHBondContact O-CB 3.19Å; H106-N110 PolarHBondContact O-N 2.89Å; H106-E111 IonicContact CE1-OE1 2.61Å; H106-E111 IonicContact NE2-OE1 3.12Å; H106-E111 PolarHBondContact NE2-OE1 2.86Å; H106-E111 PolarHBondContact O-N 2.88Å
107T98.3Very high97.5Very high0 Ų048.8 Ų48.80%023%0.225CC..Iπ-helixtrans-55.5-51.6176.2-55.10000111.9V28 A37 F49 I103 W104 L112V28-T107 HydrophobicContact CG1-CG2 4.42Å; V28-T107 HydrophobicContact CG2-CG2 4.17Å; A37-T107 HydrophobicContact CB-CG2 3.35Å; F49-T107 WeakPolarHBondContact CZ-OG1 3.46Å; I103-T107 PolarHBondContact O-N 3.25Å; I103-T107 PolarHBondContact O-OG1 2.65Å; W104-T107 WeakPolarHBondContact O-CB 3.38Å; W104-T107 PolarHBondContact O-N 3.08Å; W104-T107 VanDerWaalsContact O-N 3.17Å; T107-L112 HydrophobicContact CG2-CD1 4.28Å; T107-L112 WeakPolarHBondContact O-CB 3.46Å; T107-L112 WeakPolarHBondContact O-CG 3.42Å; T107-L112 PolarHBondContact O-N 2.97Å
108F98.1Very high97.5Very high0 Ų052.4 Ų52.40%024%0.243CC..Iπ-helixtrans-74-51.2-174.5-59.2-43.3000112.2L26 V28 W104 H106 R113 V114 P116 V121 M141 F145L26-F108 HydrophobicContact CD1-CD1 3.7Å; L26-F108 HydrophobicContact CD1-CE1 3.74Å; V28-F108 HydrophobicContact CG2-CE1 4.05Å; W104-F108 HydrophobicContact CB-CD2 4.45Å; W104-F108 HydrophobicContact CB-CE2 4.04Å; W104-F108 WeakPolarHBondContact O-CD2 3.46Å; W104-F108 WeakPolarHBondContact O-CG 3.19Å; W104-F108 PolarHBondContact O-N 3.43Å; H106-F108 PolarHBondContact O-N 3.09Å; F108-R113 WeakPolarHBondContact O-CA 3.43Å; F108-R113 PolarHBondContact O-N 3.25Å; F108-V114 PolarHBondContact O-N 3.2Å; F108-P116 HydrophobicContact CB-CB 4.45Å; F108-P116 HydrophobicContact CB-CG 4.34Å; F108-P116 HydrophobicContact CD1-CB 4.45Å; F108-P116 HydrophobicContact CD2-CB 3.75Å; F108-P116 HydrophobicContact CD2-CG 3.94Å; F108-P116 HydrophobicContact CE2-CB 4.02Å; F108-P116 HydrophobicContact CG-CB 3.98Å; F108-P116 HydrophobicContact CG-CG 4.28Å; F108-P116 HydrophobicContact CZ-CB 4.49Å; F108-V121 HydrophobicContact CE1-CG1 4.4Å; F108-V121 HydrophobicContact CE1-CG2 4.5Å; F108-V121 HydrophobicContact CZ-CG1 4.26Å; F108-V121 HydrophobicContact CZ-CG2 4.41Å; F108-M141 HydrophobicContact CE2-CE 4.31Å; F108-M141 HydrophobicContact CE2-SD 4.21Å; F108-M141 HydrophobicContact CZ-CE 4.23Å; F108-M141 HydrophobicContact CZ-SD 4.14Å; F108-F145 AromaticContact CD2-CD1 3.91Å; F108-F145 HydrophobicContact CD2-CD1 3.91Å; F108-F145 HydrophobicContact CD2-CE1 4.05Å; F108-F145 HydrophobicContact CD2-CG 4.35Å; F108-F145 HydrophobicContact CE2-CD1 4.11Å; F108-F145 HydrophobicContact CE2-CD2 4.32Å; F108-F145 HydrophobicContact CE2-CE1 4.37Å; F108-F145 HydrophobicContact CE2-CG 4.08Å
109Y97.7Very high97.5Very high93 Ų9348.3 Ų48.337%0.36522%0.221SC..Iπ-helixtrans-90.3-31.9-168.4-64.3-72.9000114.1H105 P116 F145H105-Y109 HydrophobicContact CB-CD2 4.5Å; H105-Y109 AromaticContact CD2-CD2 3.67Å; H105-Y109 AromaticContact CD2-CE2 3.8Å; H105-Y109 AromaticContact CE1-CD2 3.56Å; H105-Y109 AromaticContact CG-CD2 3.74Å; H105-Y109 AromaticContact ND1-CD2 3.68Å; H105-Y109 AromaticContact NE2-CD2 3.58Å; H105-Y109 AromaticContact NE2-CE2 3.89Å; H105-Y109 WeakPolarHBondContact O-CB 3.48Å; H105-Y109 WeakPolarHBondContact O-CD2 3.34Å; H105-Y109 PolarHBondContact O-N 2.94Å; Y109-P116 HydrophobicContact CE2-CG 4.34Å; Y109-P116 WeakPolarHBondContact OH-CD 3.21Å; Y109-F145 HydrophobicContact CE2-CE1 4.47Å
110N96.4Very high97.5Very high79 Ų7950.4 Ų50.442%0.42223%0.234SC..Iπ-helixtrans-95-50.3-177.1-65.781.1000112H106 R113H106-N110 WeakPolarHBondContact ND1-CB 3.49Å; H106-N110 WeakPolarHBondContact O-CA 3.49Å; H106-N110 VanDerWaalsContact O-CB 3.27Å; H106-N110 WeakPolarHBondContact O-CB 3.19Å; H106-N110 PolarHBondContact O-N 2.89Å; N110-R113 WeakPolarHBondContact O-CG 3.43Å
111E97.8Very high97.5Very high78 Ų7850.5 Ų50.536%0.36424%0.235SC..Iπ-helixtrans-81-58.7-173.8-65.5-60.4126.200111.6A47 F49 H106A47-E111 HydrophobicContact CB-CB 3.69Å; A47-E111 HydrophobicContact CB-CG 4.18Å; F49-E111 HydrophobicContact CD1-CG 3.87Å; F49-E111 HydrophobicContact CE1-CG 3.88Å; H106-E111 IonicContact CE1-OE1 2.61Å; H106-E111 IonicContact NE2-OE1 3.12Å; H106-E111 PolarHBondContact NE2-OE1 2.86Å; H106-E111 PolarHBondContact O-N 2.88Å
112L97.1Very high97.6Very high16 Ų1649.1 Ų49.18%0.08423%0.229CC..Iπ-helixtrans-83.1-23.1-178.4-61.9-176.8000113.5L26 A37 F39 R46 A47 T107 V114L26-L112 HydrophobicContact CD2-CD1 4.21Å; A37-L112 HydrophobicContact CB-CD1 4.06Å; A37-L112 HydrophobicContact CB-CD2 4.43Å; A37-L112 HydrophobicContact CB-CG 4.39Å; F39-L112 HydrophobicContact CE2-CD2 4.24Å; R46-L112 HydrophobicContact CB-CD2 4.18Å; A47-L112 HydrophobicContact CB-CD2 4.49Å; T107-L112 HydrophobicContact CG2-CD1 4.28Å; T107-L112 WeakPolarHBondContact O-CB 3.46Å; T107-L112 WeakPolarHBondContact O-CG 3.42Å; T107-L112 PolarHBondContact O-N 2.97Å; L112-V114 HydrophobicContact CB-CG2 3.91Å
113R97.5Very high97.6Very high213 Ų21346.3 Ų46.380%0.80422%0.217SC*.  trans56.246.4-179.3-54.2-179.3-178.5-175.41.2113.2F108 N110F108-R113 WeakPolarHBondContact O-CA 3.43Å; F108-R113 PolarHBondContact O-N 3.25Å; N110-R113 WeakPolarHBondContact O-CG 3.43Å
114V96.9Very high97.5Very high22 Ų2246.5 Ų46.513%0.13322%0.219CC..  trans-123158.4180-64.60000111.5L26 F39 F108 L112L26-V114 HydrophobicContact CD1-CG2 3.71Å; L26-V114 HydrophobicContact CD2-CG2 4.13Å; F39-V114 HydrophobicContact CE1-CG1 3.94Å; F39-V114 HydrophobicContact CZ-CG1 3.59Å; F108-V114 PolarHBondContact O-N 3.2Å; L112-V114 HydrophobicContact CB-CG2 3.91Å
115A96.8Very high97.3Very high24 Ų2447 Ų4720%0.19822%0.221CC..  trans-87112.316800000108.8E117 E118 H119A115-E117 HydrophobicContact CB-CG 4.34Å; A115-E117 PolarHBondContact O-N 2.79Å; A115-E118 HydrophobicContact CB-CG 4.09Å; A115-E118 PolarHBondContact O-N 3.07Å; A115-E118 VanDerWaalsContact O-N 3.1Å; A115-H119 PolarHBondContact O-CD2 2.94Å
116P96.7Very high97Very high0 Ų042.6 Ų42.60%020%0.201CC..G310 helixtrans-60.7-26.3-177.924.3-33.3000113.5F108 Y109 E118 H119 F145 T147 P148F108-P116 HydrophobicContact CB-CB 4.45Å; F108-P116 HydrophobicContact CB-CG 4.34Å; F108-P116 HydrophobicContact CD1-CB 4.45Å; F108-P116 HydrophobicContact CD2-CB 3.75Å; F108-P116 HydrophobicContact CD2-CG 3.94Å; F108-P116 HydrophobicContact CE2-CB 4.02Å; F108-P116 HydrophobicContact CG-CB 3.98Å; F108-P116 HydrophobicContact CG-CG 4.28Å; F108-P116 HydrophobicContact CZ-CB 4.49Å; Y109-P116 HydrophobicContact CE2-CG 4.34Å; Y109-P116 WeakPolarHBondContact OH-CD 3.21Å; P116-E118 PolarHBondContact O-N 2.91Å; P116-H119 PolarHBondContact O-N 3.3Å; P116-F145 HydrophobicContact CB-CB 4.23Å; P116-F145 HydrophobicContact CG-CB 4.13Å; P116-F145 HydrophobicContact CG-CD1 4.02Å; P116-T147 HydrophobicContact CB-CG2 4.13Å; P116-P148 WeakPolarHBondContact O-CD 3.41Å
117E97.3Very high96.6Very high92 Ų9242.1 Ų42.143%0.4320%0.2SC..G310 helixtrans-67.7-12.1176.364.3-92.5-141.700114.5A115 N146 P148A115-E117 HydrophobicContact CB-CG 4.34Å; A115-E117 PolarHBondContact O-N 2.79Å; E117-N146 WeakPolarHBondContact CA-O 3.26Å; E117-N146 HydrophobicContact CB-CB 3.98Å; E117-N146 WeakPolarHBondContact CB-O 3.21Å; E117-P148 WeakPolarHBondContact O-CD 3.32Å
118E96.3Very high96.1Very high122 Ų12250.3 Ų50.357%0.5724%0.243SC*.G310 helixtrans-96.5-15.5176.7-62.8-176.5164.600112.3I23 A115 P116I23-E118 WeakPolarHBondContact CG2-O 3.36Å; A115-E118 HydrophobicContact CB-CG 4.09Å; A115-E118 PolarHBondContact O-N 3.07Å; A115-E118 VanDerWaalsContact O-N 3.1Å; P116-E118 PolarHBondContact O-N 2.91Å
119H97.4Very high95.7Very high27 Ų2751 Ų5113%0.12525%0.247CC..SBendtrans-122.7136.4-169-69.5-97.9000114.3I23 A24 L26 A115 P116 P148I23-H119 HydrophobicContact CG2-CB 4.42Å; I23-H119 VanDerWaalsContact CG2-ND1 3.32Å; I23-H119 WeakPolarHBondContact CG2-ND1 3.15Å; A24-H119 PolarHBondContact O-ND1 3.39Å; L26-H119 HydrophobicContact CD1-CB 3.97Å; L26-H119 HydrophobicContact CD2-CB 4.26Å; L26-H119 HydrophobicContact CG-CB 3.73Å; A115-H119 PolarHBondContact O-CD2 2.94Å; P116-H119 PolarHBondContact O-N 3.3Å; H119-P148 VanDerWaalsContact O-CD 3.27Å; H119-P148 WeakPolarHBondContact O-CD 3.15Å
120P97.8Very high95.5Very high45 Ų4549.7 Ų49.729%0.29225%0.249SC..  trans-60.6143.2164.4-19.431.9000111.1A25 L26 A149A25-P120 CarbonylContact C-O 3.37Å; A25-P120 WeakPolarHBondContact CA-O 3.3Å; A25-P120 HydrophobicContact CB-CB 4.07Å; A25-P120 WeakPolarHBondContact CB-O 3.4Å; L26-P120 PolarHBondContact N-O 2.99Å; P120-A149 CarbonylContact C-O 3.55Å; P120-A149 WeakPolarHBondContact CA-O 3.46Å; P120-A149 HydrophobicContact CB-CB 4.3Å
121V98.2Very high95.3Very high2 Ų252.7 Ų52.71%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-123123.2-177.9-172.20000112.1L26 V28 F108 L123 T147 A149 M150 Y151L26-V121 HydrophobicContact CB-CG1 4.4Å; L26-V121 HydrophobicContact CB-CG2 4.31Å; L26-V121 HydrophobicContact CD1-CG2 4.24Å; L26-V121 CarbonylContact O-C 3.57Å; L26-V121 WeakPolarHBondContact O-CA 3.44Å; V28-V121 HydrophobicContact CG2-CG1 4.34Å; F108-V121 HydrophobicContact CE1-CG1 4.4Å; F108-V121 HydrophobicContact CE1-CG2 4.5Å; F108-V121 HydrophobicContact CZ-CG1 4.26Å; F108-V121 HydrophobicContact CZ-CG2 4.41Å; V121-L123 HydrophobicContact CG1-CD1 4.29Å; V121-L123 HydrophobicContact CG1-CG 4Å; V121-T147 HydrophobicContact CB-CG2 4.46Å; V121-T147 HydrophobicContact CG2-CG2 3.6Å; V121-A149 PolarHBondContact N-O 3.28Å; V121-M150 CarbonylContact O-C 3.59Å; V121-M150 WeakPolarHBondContact O-CA 3.36Å; V121-M150 WeakPolarHBondContact O-CB 3.38Å; V121-Y151 PolarHBondContact O-N 3.33Å
122L98.3Very high95.2Very high41 Ų4152 Ų5222%0.21527%0.266CS..EExtended strand (participates in β ladder)trans-94.2119166-170.5156000109.4L26 V27 V28 T124 Y151 A153 L158L26-L122 PolarHBondContact O-N 3.03Å; V27-L122 HydrophobicContact CG1-CD2 4.25Å; V27-L122 HydrophobicContact CG2-CB 4.45Å; V28-L122 PolarHBondContact N-O 2.81Å; L122-T124 HydrophobicContact CD2-CG2 4.4Å; L122-Y151 CarbonylContact C-O 3.45Å; L122-Y151 WeakPolarHBondContact CA-O 3.45Å; L122-Y151 HydrophobicContact CD1-CD1 4.12Å; L122-Y151 HydrophobicContact CG-CD1 4.22Å; L122-A153 HydrophobicContact CD2-CB 4.22Å; L122-L158 HydrophobicContact CD2-CD1 4.09Å
123L97.8Very high95Very high0 Ų052.6 Ų52.60%027%0.269CS..EExtended strand (participates in β ladder)trans-108.3146.8174.6-73.2149.8000110.6V28 N30 W104 V121 M137 M141 M150 Y151 V152 A153V28-L123 HydrophobicContact CB-CD2 3.8Å; V28-L123 HydrophobicContact CG1-CD2 3.98Å; V28-L123 WeakPolarHBondContact O-CA 3.35Å; N30-L123 WeakPolarHBondContact ND2-CD2 3.42Å; W104-L123 HydrophobicContact CZ2-CD2 4.38Å; V121-L123 HydrophobicContact CG1-CD1 4.29Å; V121-L123 HydrophobicContact CG1-CG 4Å; L123-M137 HydrophobicContact CB-SD 3.88Å; L123-M137 HydrophobicContact CD1-CG 4.05Å; L123-M137 HydrophobicContact CD1-SD 3.92Å; L123-M137 HydrophobicContact CG-SD 4.35Å; L123-M141 HydrophobicContact CD1-CE 3.59Å; L123-M141 HydrophobicContact CD1-CG 3.58Å; L123-M141 HydrophobicContact CD1-SD 3.82Å; L123-M141 HydrophobicContact CD2-CE 3.89Å; L123-M141 HydrophobicContact CG-CE 4.35Å; L123-M150 HydrophobicContact CD1-CE 3.83Å; L123-Y151 PolarHBondContact N-O 3.13Å; L123-V152 CarbonylContact O-C 3.58Å; L123-V152 WeakPolarHBondContact O-CA 3.22Å; L123-A153 PolarHBondContact O-N 2.85Å
124T96.3Very high94.9Very high5 Ų547 Ų473%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-98.7149.3170.975.90000111.8V28 D29 N30 L122 A153 Q155 L158V28-T124 PolarHBondContact O-N 3.31Å; D29-T124 VanDerWaalsContact CA-OG1 3.26Å; D29-T124 WeakPolarHBondContact CA-OG1 3.22Å; D29-T124 HydrophobicContact CB-CG2 4.07Å; D29-T124 PolarHBondContact OD1-OG1 2.76Å; N30-T124 PolarHBondContact N-OG1 2.91Å; N30-T124 VanDerWaalsContact N-OG1 3.08Å; N30-T124 PolarHBondContact ND2-O 3.45Å; L122-T124 HydrophobicContact CD2-CG2 4.4Å; T124-A153 CarbonylContact C-O 3.55Å; T124-A153 VanDerWaalsContact CA-O 3.27Å; T124-A153 WeakPolarHBondContact CA-O 3.31Å; T124-Q155 HydrophobicContact CG2-CG 4.47Å; T124-Q155 PolarHBondContact OG1-NE2 3.02Å; T124-L158 HydrophobicContact CG2-CD1 3.65Å
125E94.7Very high94.9Very high9 Ų950.7 Ų50.74%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-132.4157.8170.164.9173.1-161.500111.3N129 R134 V152 A153 Q155E125-N129 HydrophobicContact CB-CB 4.24Å; E125-N129 HydrophobicContact CG-CB 4.36Å; E125-N129 PolarHBondContact OE2-ND2 3.04Å; E125-R134 VanDerWaalsContact CD-NE 3.32Å; E125-R134 IonicContact OE1-CZ 3.13Å; E125-R134 IonicContact OE1-NE 3.01Å; E125-R134 PolarHBondContact OE1-NE 3.17Å; E125-R134 IonicContact OE1-NH2 3.43Å; E125-R134 PolarHBondContact OE1-NH2 2.9Å; E125-R134 IonicContact OE2-CZ 3.76Å; E125-R134 IonicContact OE2-NE 2.92Å; E125-R134 PolarHBondContact OE2-NE 3.34Å; E125-R134 IonicContact OE2-NH2 2.82Å; E125-V152 HydrophobicContact CB-CG1 4.03Å; E125-V152 HydrophobicContact CG-CG1 3.67Å; E125-A153 PolarHBondContact N-O 2.99Å; E125-Q155 WeakPolarHBondContact O-CG 3.45Å; E125-Q155 PolarHBondContact O-N 2.88Å; E125-Q155 VanDerWaalsContact O-N 3.1Å
126A92.5Very high94.9Very high2 Ų253.2 Ų53.22%0.01727%0.27CS..  trans-68153.2174.800000111.8G92 I93 N129G92-A126 WeakPolarHBondContact O-CB 3.41Å; I93-A126 HydrophobicContact CD1-CB 4.33Å; A126-N129 WeakPolarHBondContact O-CB 3.35Å; A126-N129 PolarHBondContact O-N 2.95Å
127P88.9Confident94.9Very high15 Ų1553.4 Ų53.410%0.09727%0.271CS..THydrogen-bonded Turntrans-52.8141.8168.3-24.335000111.5N129 I154 H179 V181P127-N129 PolarHBondContact O-N 2.89Å; P127-I154 HydrophobicContact CG-CG2 4.22Å; P127-H179 HydrophobicContact CG-CB 3.98Å; P127-V181 HydrophobicContact CB-CG2 3.94Å; P127-V181 HydrophobicContact CG-CG2 3.54Å
128L87.9Confident94.9Very high172 Ų17251.2 Ų51.290%0.90127%0.265SS*.THydrogen-bonded Turntrans59.823.9179.4-52.4173.1000114.6
129N89.8Confident95Very high15 Ų1549 Ų498%0.0825%0.254CS..  trans-55.8128.2172.7-173.433.5000110.7I93 E125 A126 P127 K131 N133I93-N129 HydrophobicContact CD1-CB 4.46Å; E125-N129 HydrophobicContact CB-CB 4.24Å; E125-N129 HydrophobicContact CG-CB 4.36Å; E125-N129 PolarHBondContact OE2-ND2 3.04Å; A126-N129 WeakPolarHBondContact O-CB 3.35Å; A126-N129 PolarHBondContact O-N 2.95Å; P127-N129 PolarHBondContact O-N 2.89Å; N129-K131 PolarHBondContact O-N 3.19Å; N129-N133 WeakPolarHBondContact OD1-CB 3.49Å; N129-N133 PolarHBondContact OD1-ND2 3.06Å
130P92.1Very high95Very high64 Ų6447.9 Ų47.942%0.41625%0.249SC..  trans-55.6137.8177-27.835.3000112A132 N133 R134P130-A132 PolarHBondContact O-N 3.04Å; P130-A132 VanDerWaalsContact O-N 3.15Å; P130-N133 WeakPolarHBondContact O-CB 3.32Å; P130-N133 PolarHBondContact O-N 3.48Å; P130-R134 PolarHBondContact O-N 3.26Å
131K93.8Very high95Very high143 Ų14345.8 Ų45.862%0.62224%0.235SC*.Hα-helixtrans-54.1-38.7179.7-169.4-174.1-175.9-1190112.5N129 N133 R134 E135N129-K131 PolarHBondContact O-N 3.19Å; K131-N133 VanDerWaalsContact C-N 3.26Å; K131-N133 PolarHBondContact O-N 2.96Å; K131-R134 WeakPolarHBondContact O-CB 3.4Å; K131-R134 PolarHBondContact O-N 3.46Å; K131-R134 VanDerWaalsContact O-N 3.14Å; K131-E135 VanDerWaalsContact CE-OE1 3.23Å; K131-E135 WeakPolarHBondContact CE-OE1 3.1Å; K131-E135 HydrophobicContact CG-CG 4.42Å; K131-E135 IonicContact NZ-OE1 2.67Å; K131-E135 PolarHBondContact NZ-OE1 2.88Å; K131-E135 WeakPolarHBondContact O-CG 3.36Å; K131-E135 PolarHBondContact O-N 2.68Å
132A94.4Very high95Very high62 Ų6249.9 Ų49.951%0.51225%0.253SS..Hα-helixtrans-59.8-35.5177.500000112.8P130 K136P130-A132 PolarHBondContact O-N 3.04Å; P130-A132 VanDerWaalsContact O-N 3.15Å; A132-K136 WeakPolarHBondContact O-CB 3.26Å; A132-K136 PolarHBondContact O-N 3.28Å
133N94.4Very high95Very high29 Ų2954.2 Ų54.216%0.15527%0.272CS..Hα-helixtrans-70.8-41.5176.2-70.9-2.9000110.9I93 W97 N129 P130 K131 E135 K136 M137I93-N133 VanDerWaalsContact CG2-ND2 3.31Å; I93-N133 WeakPolarHBondContact CG2-ND2 3.27Å; W97-N133 HydrophobicContact CH2-CB 4.2Å; W97-N133 WeakPolarHBondContact CH2-O 3.4Å; W97-N133 HydrophobicContact CZ2-CB 3.86Å; N129-N133 WeakPolarHBondContact OD1-CB 3.49Å; N129-N133 PolarHBondContact OD1-ND2 3.06Å; P130-N133 WeakPolarHBondContact O-CB 3.32Å; P130-N133 PolarHBondContact O-N 3.48Å; K131-N133 VanDerWaalsContact C-N 3.26Å; K131-N133 PolarHBondContact O-N 2.96Å; N133-E135 VanDerWaalsContact C-N 3.33Å; N133-E135 PolarHBondContact O-N 3.45Å; N133-K136 PolarHBondContact O-N 2.98Å; N133-M137 WeakPolarHBondContact O-CB 3.36Å; N133-M137 PolarHBondContact O-N 2.85Å
134R95.3Very high95Very high95 Ų9557.4 Ų57.436%0.35829%0.292SS..Hα-helixtrans-60.2-45.3174.3-166.8-177.3-59.1150.4-0.5111.2E125 P130 K131 K136 M137 T138 V152E125-R134 VanDerWaalsContact CD-NE 3.32Å; E125-R134 IonicContact OE1-CZ 3.13Å; E125-R134 IonicContact OE1-NE 3.01Å; E125-R134 PolarHBondContact OE1-NE 3.17Å; E125-R134 IonicContact OE1-NH2 3.43Å; E125-R134 PolarHBondContact OE1-NH2 2.9Å; E125-R134 IonicContact OE2-CZ 3.76Å; E125-R134 IonicContact OE2-NE 2.92Å; E125-R134 PolarHBondContact OE2-NE 3.34Å; E125-R134 IonicContact OE2-NH2 2.82Å; P130-R134 PolarHBondContact O-N 3.26Å; K131-R134 WeakPolarHBondContact O-CB 3.4Å; K131-R134 PolarHBondContact O-N 3.46Å; K131-R134 VanDerWaalsContact O-N 3.14Å; R134-K136 VanDerWaalsContact C-N 3.33Å; R134-K136 PolarHBondContact O-N 3.42Å; R134-M137 PolarHBondContact O-N 2.87Å; R134-T138 PolarHBondContact O-N 3.47Å; R134-T138 PolarHBondContact O-OG1 3.44Å; R134-T138 VanDerWaalsContact O-OG1 3.1Å; R134-V152 HydrophobicContact CG-CB 4.43Å; R134-V152 HydrophobicContact CG-CG1 4.27Å; R134-V152 HydrophobicContact CG-CG2 4.38Å
135E96.5Very high95.1Very high101 Ų10157.6 Ų57.647%0.47229%0.292SS..Hα-helixtrans-61-41.1175.2-72.2170.3176.300111.8K131 N133 T138 Q139K131-E135 VanDerWaalsContact CE-OE1 3.23Å; K131-E135 WeakPolarHBondContact CE-OE1 3.1Å; K131-E135 HydrophobicContact CG-CG 4.42Å; K131-E135 IonicContact NZ-OE1 2.67Å; K131-E135 PolarHBondContact NZ-OE1 2.88Å; K131-E135 WeakPolarHBondContact O-CG 3.36Å; K131-E135 PolarHBondContact O-N 2.68Å; N133-E135 VanDerWaalsContact C-N 3.33Å; N133-E135 PolarHBondContact O-N 3.45Å; E135-T138 PolarHBondContact O-N 3.4Å; E135-Q139 WeakPolarHBondContact O-CB 3.36Å; E135-Q139 PolarHBondContact O-N 3.37Å
136K97.2Very high95.2Very high76 Ų7661.9 Ų61.933%0.3332%0.316SS..Hα-helixtrans-67.5-40.4177.8-172.459.9-178174.10112.7W97 A132 N133 R134 Q139 I140W97-K136 HydrophobicContact CD2-CB 4.34Å; W97-K136 HydrophobicContact CD2-CG 3.54Å; W97-K136 HydrophobicContact CE3-CB 4.49Å; W97-K136 HydrophobicContact CE3-CG 3.85Å; W97-K136 HydrophobicContact CG-CG 3.99Å; W97-K136 HydrophobicContact CH2-CB 3.97Å; W97-K136 HydrophobicContact CH2-CG 4.2Å; W97-K136 HydrophobicContact CZ2-CB 3.79Å; W97-K136 HydrophobicContact CZ2-CG 3.92Å; W97-K136 HydrophobicContact CZ3-CB 4.3Å; W97-K136 HydrophobicContact CZ3-CG 4.15Å; A132-K136 WeakPolarHBondContact O-CB 3.26Å; A132-K136 PolarHBondContact O-N 3.28Å; N133-K136 PolarHBondContact O-N 2.98Å; R134-K136 VanDerWaalsContact C-N 3.33Å; R134-K136 PolarHBondContact O-N 3.42Å; K136-Q139 WeakPolarHBondContact O-CB 3.17Å; K136-Q139 PolarHBondContact O-N 3.17Å; K136-I140 HydrophobicContact CG-CD1 4.24Å; K136-I140 WeakPolarHBondContact O-CG1 3.35Å; K136-I140 PolarHBondContact O-N 3.43Å
137M96.6Very high95.4Very high4 Ų462 Ų622%0.0232%0.316CS..Hα-helixtrans-59.9-47.3172.2-179.7-174.2-62.100110.8W97 W104 L123 N133 R134 Q139 I140 M141 V152W97-M137 HydrophobicContact CH2-CB 4.13Å; W97-M137 HydrophobicContact CZ3-CB 3.99Å; W104-M137 HydrophobicContact CH2-CB 4.3Å; W104-M137 HydrophobicContact CH2-CG 3.75Å; W104-M137 HydrophobicContact CZ2-CE 4.26Å; W104-M137 HydrophobicContact CZ2-CG 4Å; W104-M137 HydrophobicContact CZ2-SD 4.5Å; L123-M137 HydrophobicContact CB-SD 3.88Å; L123-M137 HydrophobicContact CD1-CG 4.05Å; L123-M137 HydrophobicContact CD1-SD 3.92Å; L123-M137 HydrophobicContact CG-SD 4.35Å; N133-M137 WeakPolarHBondContact O-CB 3.36Å; N133-M137 PolarHBondContact O-N 2.85Å; R134-M137 PolarHBondContact O-N 2.87Å; M137-Q139 VanDerWaalsContact C-N 3.34Å; M137-Q139 PolarHBondContact O-N 3.1Å; M137-I140 PolarHBondContact O-N 2.94Å; M137-M141 WeakPolarHBondContact O-CG 3.39Å; M137-M141 PolarHBondContact O-N 3.06Å; M137-V152 HydrophobicContact SD-CG1 4.41Å; M137-V152 HydrophobicContact SD-CG2 4.2Å
138T97Very high95.8Very high47 Ų4764.8 Ų64.829%0.28833%0.334SS..Hα-helixtrans-60-44176.3-64.30000112.1R134 E135 I140 M141 F142 M150R134-T138 PolarHBondContact O-N 3.47Å; R134-T138 PolarHBondContact O-OG1 3.44Å; R134-T138 VanDerWaalsContact O-OG1 3.1Å; E135-T138 PolarHBondContact O-N 3.4Å; T138-I140 PolarHBondContact O-N 3.11Å; T138-M141 PolarHBondContact O-N 3.02Å; T138-F142 HydrophobicContact CG2-CD2 3.61Å; T138-F142 HydrophobicContact CG2-CE2 3.72Å; T138-F142 WeakPolarHBondContact O-CD2 3.5Å; T138-F142 PolarHBondContact O-N 3.02Å; T138-F142 VanDerWaalsContact O-N 3.11Å; T138-M150 HydrophobicContact CG2-SD 3.87Å
139Q97.9Very high96.3Very high74 Ų7458.7 Ų58.735%0.34631%0.308SS..Hα-helixtrans-56.7-50.8176.9-171.8-166.10.900111E135 K136 M137 M141 F142 E143E135-Q139 WeakPolarHBondContact O-CB 3.36Å; E135-Q139 PolarHBondContact O-N 3.37Å; K136-Q139 WeakPolarHBondContact O-CB 3.17Å; K136-Q139 PolarHBondContact O-N 3.17Å; M137-Q139 VanDerWaalsContact C-N 3.34Å; M137-Q139 PolarHBondContact O-N 3.1Å; Q139-M141 PolarHBondContact O-N 3.46Å; Q139-F142 PolarHBondContact O-N 3.24Å; Q139-E143 HydrophobicContact CG-CG 4.11Å; Q139-E143 VanDerWaalsContact CG-OE2 3.24Å; Q139-E143 WeakPolarHBondContact CG-OE2 3.27Å; Q139-E143 PolarHBondContact NE2-OE2 3.05Å; Q139-E143 VanDerWaalsContact O-CB 3.24Å; Q139-E143 WeakPolarHBondContact O-CB 3.34Å; Q139-E143 WeakPolarHBondContact O-CG 3.36Å; Q139-E143 PolarHBondContact O-N 3.29Å
140I98Very high96.6Very high5 Ų559.6 Ų59.63%0.02631%0.313CS..Hα-helixtrans-63.2-42.1-177.7-67.2164.7000111.1W97 E101 W104 K136 M137 T138 F142 T144 F145W97-I140 HydrophobicContact CB-CD1 4.32Å; W97-I140 HydrophobicContact CD2-CD1 4.26Å; W97-I140 HydrophobicContact CE3-CD1 3.53Å; W97-I140 HydrophobicContact CZ3-CD1 4.23Å; E101-I140 HydrophobicContact CG-CG2 4.22Å; W104-I140 HydrophobicContact CE3-CG2 4.08Å; W104-I140 HydrophobicContact CZ3-CB 4.34Å; W104-I140 HydrophobicContact CZ3-CD1 4.16Å; W104-I140 HydrophobicContact CZ3-CG2 3.96Å; K136-I140 HydrophobicContact CG-CD1 4.24Å; K136-I140 WeakPolarHBondContact O-CG1 3.35Å; K136-I140 PolarHBondContact O-N 3.43Å; M137-I140 PolarHBondContact O-N 2.94Å; T138-I140 PolarHBondContact O-N 3.11Å; I140-F142 PolarHBondContact O-N 3.17Å; I140-T144 WeakPolarHBondContact O-CA 3.21Å; I140-T144 WeakPolarHBondContact O-CB 3.46Å; I140-T144 PolarHBondContact O-N 3.3Å; I140-F145 HydrophobicContact CG2-CD2 3.87Å; I140-F145 HydrophobicContact CG2-CE2 3.7Å; I140-F145 PolarHBondContact O-N 2.92Å; I140-F145 VanDerWaalsContact O-N 3.1Å
141M98Very high96.9Very high0 Ų064 Ų640%032%0.322CS..Hα-helixtrans-63.1-41.8-179.9-71.7-68.4160.600112.6W104 F108 L123 M137 T138 Q139 F145 N146 T147 M150W104-M141 HydrophobicContact CB-CE 4.23Å; W104-M141 HydrophobicContact CD2-CE 3.26Å; W104-M141 VanDerWaalsContact CE2-CE 3.43Å; W104-M141 HydrophobicContact CE3-CE 3.62Å; W104-M141 HydrophobicContact CG-CE 3.56Å; W104-M141 HydrophobicContact CH2-CE 4.22Å; W104-M141 HydrophobicContact CZ2-CE 3.93Å; W104-M141 HydrophobicContact CZ3-CE 4.09Å; F108-M141 HydrophobicContact CE2-CE 4.31Å; F108-M141 HydrophobicContact CE2-SD 4.21Å; F108-M141 HydrophobicContact CZ-CE 4.23Å; F108-M141 HydrophobicContact CZ-SD 4.14Å; L123-M141 HydrophobicContact CD1-CE 3.59Å; L123-M141 HydrophobicContact CD1-CG 3.58Å; L123-M141 HydrophobicContact CD1-SD 3.82Å; L123-M141 HydrophobicContact CD2-CE 3.89Å; L123-M141 HydrophobicContact CG-CE 4.35Å; M137-M141 WeakPolarHBondContact O-CG 3.39Å; M137-M141 PolarHBondContact O-N 3.06Å; T138-M141 PolarHBondContact O-N 3.02Å; Q139-M141 PolarHBondContact O-N 3.46Å; M141-F145 HydrophobicContact CE-CD2 4.44Å; M141-F145 CarbonylContact O-C 3.53Å; M141-F145 WeakPolarHBondContact O-CB 3.49Å; M141-F145 HydrophobicContact SD-CD2 4.13Å; M141-N146 PolarHBondContact O-N 3.32Å; M141-T147 HydrophobicContact CB-CG2 4.47Å; M141-T147 PolarHBondContact O-N 3.07Å; M141-T147 PolarHBondContact O-OG1 2.81Å; M141-T147 HydrophobicContact SD-CG2 4.29Å; M141-M150 HydrophobicContact CB-CE 4.28Å; M141-M150 HydrophobicContact CB-SD 3.57Å; M141-M150 VanDerWaalsContact CB-SD 3.57Å; M141-M150 HydrophobicContact CG-CE 4.18Å; M141-M150 HydrophobicContact CG-SD 4.12Å
142F98.1Very high97Very high89 Ų8958.4 Ų58.439%0.3930%0.3SS..Hα-helixtrans-82.9-41.3179.1-75.8-61.5000114.2T138 Q139 I140 N146 T147 M150T138-F142 HydrophobicContact CG2-CD2 3.61Å; T138-F142 HydrophobicContact CG2-CE2 3.72Å; T138-F142 WeakPolarHBondContact O-CD2 3.5Å; T138-F142 PolarHBondContact O-N 3.02Å; T138-F142 VanDerWaalsContact O-N 3.11Å; Q139-F142 PolarHBondContact O-N 3.24Å; I140-F142 PolarHBondContact O-N 3.17Å; F142-N146 WeakPolarHBondContact O-CA 3.36Å; F142-N146 PolarHBondContact O-N 3.36Å; F142-T147 WeakPolarHBondContact CD1-O 3.32Å; F142-T147 VanDerWaalsContact CE1-O 3.26Å; F142-T147 WeakPolarHBondContact CE1-O 3.38Å; F142-M150 HydrophobicContact CD2-CG 4.44Å; F142-M150 HydrophobicContact CD2-SD 3.99Å; F142-M150 HydrophobicContact CE2-CG 3.6Å; F142-M150 HydrophobicContact CE2-SD 3.69Å; F142-M150 HydrophobicContact CZ-CG 3.7Å; F142-M150 HydrophobicContact CZ-SD 4.31Å
143E97.9Very high97.1Very high132 Ų13255.8 Ų55.862%0.61728%0.278SS*.Hα-helixtrans-88.6-31.9-172.7-62.9-178-176.700113.1Q139Q139-E143 HydrophobicContact CG-CG 4.11Å; Q139-E143 VanDerWaalsContact CG-OE2 3.24Å; Q139-E143 WeakPolarHBondContact CG-OE2 3.27Å; Q139-E143 PolarHBondContact NE2-OE2 3.05Å; Q139-E143 VanDerWaalsContact O-CB 3.24Å; Q139-E143 WeakPolarHBondContact O-CB 3.34Å; Q139-E143 WeakPolarHBondContact O-CG 3.36Å; Q139-E143 PolarHBondContact O-N 3.29Å
144T97.6Very high97.1Very high67 Ų6757.2 Ų57.241%0.41129%0.285SS..THydrogen-bonded Turntrans-100.3-44.2-178.9-53.20000112.4E101 I140 N146E101-T144 HydrophobicContact CG-CG2 4.39Å; I140-T144 WeakPolarHBondContact O-CA 3.21Å; I140-T144 WeakPolarHBondContact O-CB 3.46Å; I140-T144 PolarHBondContact O-N 3.3Å; T144-N146 PolarHBondContact O-OD1 3.1Å
145F97.5Very high97.1Very high8 Ų853.8 Ų53.84%0.03527%0.273CS..SBendtrans-97.8-5.1-178.5-67.3-69.7000114E101 W104 H105 F108 Y109 P116 I140 M141 T147E101-F145 HydrophobicContact CG-CE2 3.94Å; E101-F145 HydrophobicContact CG-CZ 3.84Å; W104-F145 HydrophobicContact CB-CE2 3.78Å; W104-F145 HydrophobicContact CB-CZ 3.72Å; W104-F145 HydrophobicContact CE3-CE2 4.12Å; H105-F145 HydrophobicContact CB-CE1 4.16Å; H105-F145 HydrophobicContact CB-CZ 4.28Å; F108-F145 AromaticContact CD2-CD1 3.91Å; F108-F145 HydrophobicContact CD2-CD1 3.91Å; F108-F145 HydrophobicContact CD2-CE1 4.05Å; F108-F145 HydrophobicContact CD2-CG 4.35Å; F108-F145 HydrophobicContact CE2-CD1 4.11Å; F108-F145 HydrophobicContact CE2-CD2 4.32Å; F108-F145 HydrophobicContact CE2-CE1 4.37Å; F108-F145 HydrophobicContact CE2-CG 4.08Å; Y109-F145 HydrophobicContact CE2-CE1 4.47Å; P116-F145 HydrophobicContact CB-CB 4.23Å; P116-F145 HydrophobicContact CG-CB 4.13Å; P116-F145 HydrophobicContact CG-CD1 4.02Å; I140-F145 HydrophobicContact CG2-CD2 3.87Å; I140-F145 HydrophobicContact CG2-CE2 3.7Å; I140-F145 PolarHBondContact O-N 2.92Å; I140-F145 VanDerWaalsContact O-N 3.1Å; M141-F145 HydrophobicContact CE-CD2 4.44Å; M141-F145 CarbonylContact O-C 3.53Å; M141-F145 WeakPolarHBondContact O-CB 3.49Å; M141-F145 HydrophobicContact SD-CD2 4.13Å; F145-T147 HydrophobicContact CB-CG2 4.16Å; F145-T147 PolarHBondContact O-N 3.46Å
146N97.9Very high97Very high100 Ų10049 Ų4954%0.53525%0.251SS..  trans53.730.4174.9-66.464000114.1E117 M141 F142 T144E117-N146 WeakPolarHBondContact CA-O 3.26Å; E117-N146 HydrophobicContact CB-CB 3.98Å; E117-N146 WeakPolarHBondContact CB-O 3.21Å; M141-N146 PolarHBondContact O-N 3.32Å; F142-N146 WeakPolarHBondContact O-CA 3.36Å; F142-N146 PolarHBondContact O-N 3.36Å; T144-N146 PolarHBondContact O-OD1 3.1Å
147T97.1Very high96.8Very high3 Ų346.5 Ų46.52%0.01824%0.242CC..  trans-60.6134.8-178.459.20000110.3P116 V121 M141 F142 F145 A149P116-T147 HydrophobicContact CB-CG2 4.13Å; V121-T147 HydrophobicContact CB-CG2 4.46Å; V121-T147 HydrophobicContact CG2-CG2 3.6Å; M141-T147 HydrophobicContact CB-CG2 4.47Å; M141-T147 PolarHBondContact O-N 3.07Å; M141-T147 PolarHBondContact O-OG1 2.81Å; M141-T147 HydrophobicContact SD-CG2 4.29Å; F142-T147 WeakPolarHBondContact CD1-O 3.32Å; F142-T147 VanDerWaalsContact CE1-O 3.26Å; F142-T147 WeakPolarHBondContact CE1-O 3.38Å; F145-T147 HydrophobicContact CB-CG2 4.16Å; F145-T147 PolarHBondContact O-N 3.46Å; T147-A149 VanDerWaalsContact C-N 3.29Å; T147-A149 PolarHBondContact O-N 2.92Å
148P97Very high96.8Very high74 Ų7449.1 Ų49.148%0.48126%0.255SS..SBendtrans-67.3-30.8-17626.2-34.9000112.6P116 E117 H119P116-P148 WeakPolarHBondContact O-CD 3.41Å; E117-P148 WeakPolarHBondContact O-CD 3.32Å; H119-P148 VanDerWaalsContact O-CD 3.27Å; H119-P148 WeakPolarHBondContact O-CD 3.15Å
149A97.2Very high96.6Very high44 Ų4449.7 Ų49.736%0.36426%0.262SS..  trans-155.6155.2175.700000109.9P120 V121 T147P120-A149 CarbonylContact C-O 3.55Å; P120-A149 WeakPolarHBondContact CA-O 3.46Å; P120-A149 HydrophobicContact CB-CB 4.3Å; V121-A149 PolarHBondContact N-O 3.28Å; T147-A149 VanDerWaalsContact C-N 3.29Å; T147-A149 PolarHBondContact O-N 2.92Å
150M97.4Very high96.5Very high35 Ų3546.6 Ų46.617%0.17225%0.247CC..EExtended strand (participates in β ladder)trans-145.7157.6172.468.8176.8-74.400112.6V121 L123 T138 M141 F142 V152V121-M150 CarbonylContact O-C 3.59Å; V121-M150 WeakPolarHBondContact O-CA 3.36Å; V121-M150 WeakPolarHBondContact O-CB 3.38Å; L123-M150 HydrophobicContact CD1-CE 3.83Å; T138-M150 HydrophobicContact CG2-SD 3.87Å; M141-M150 HydrophobicContact CB-CE 4.28Å; M141-M150 HydrophobicContact CB-SD 3.57Å; M141-M150 VanDerWaalsContact CB-SD 3.57Å; M141-M150 HydrophobicContact CG-CE 4.18Å; M141-M150 HydrophobicContact CG-SD 4.12Å; F142-M150 HydrophobicContact CD2-CG 4.44Å; F142-M150 HydrophobicContact CD2-SD 3.99Å; F142-M150 HydrophobicContact CE2-CG 3.6Å; F142-M150 HydrophobicContact CE2-SD 3.69Å; F142-M150 HydrophobicContact CZ-CG 3.7Å; F142-M150 HydrophobicContact CZ-SD 4.31Å; M150-V152 HydrophobicContact CE-CG2 3.46Å; M150-V152 VanDerWaalsContact CE-CG2 3.46Å
151Y97.2Very high96.3Very high157 Ų15751.5 Ų51.562%0.61627%0.266SS*.EExtended strand (participates in β ladder)trans-134.7140.1169.9-176.2-110.1000109.9V121 L122 L123 A153V121-Y151 PolarHBondContact O-N 3.33Å; L122-Y151 CarbonylContact C-O 3.45Å; L122-Y151 WeakPolarHBondContact CA-O 3.45Å; L122-Y151 HydrophobicContact CD1-CD1 4.12Å; L122-Y151 HydrophobicContact CG-CD1 4.22Å; L123-Y151 PolarHBondContact N-O 3.13Å; Y151-A153 HydrophobicContact CD1-CB 4.13Å; Y151-A153 HydrophobicContact CE1-CB 3.78Å
152V97Very high96Very high25 Ų2555.8 Ų55.815%0.15230%0.302CS..EExtended strand (participates in β ladder)trans-112.8122.9175.9-175.50000108.6L123 E125 R134 M137 M150L123-V152 CarbonylContact O-C 3.58Å; L123-V152 WeakPolarHBondContact O-CA 3.22Å; E125-V152 HydrophobicContact CB-CG1 4.03Å; E125-V152 HydrophobicContact CG-CG1 3.67Å; R134-V152 HydrophobicContact CG-CB 4.43Å; R134-V152 HydrophobicContact CG-CG1 4.27Å; R134-V152 HydrophobicContact CG-CG2 4.38Å; M137-V152 HydrophobicContact SD-CG1 4.41Å; M137-V152 HydrophobicContact SD-CG2 4.2Å; M150-V152 HydrophobicContact CE-CG2 3.46Å; M150-V152 VanDerWaalsContact CE-CG2 3.46Å
153A96.1Very high95.8Very high6 Ų654.1 Ų54.15%0.0530%0.301CS..EExtended strand (participates in β ladder)trans-118.6147.2-176.500000111.6L122 L123 T124 E125 Y151 L158L122-A153 HydrophobicContact CD2-CB 4.22Å; L123-A153 PolarHBondContact O-N 2.85Å; T124-A153 CarbonylContact C-O 3.55Å; T124-A153 VanDerWaalsContact CA-O 3.27Å; T124-A153 WeakPolarHBondContact CA-O 3.31Å; E125-A153 PolarHBondContact N-O 2.99Å; Y151-A153 HydrophobicContact CD1-CB 4.13Å; Y151-A153 HydrophobicContact CE1-CB 3.78Å; A153-L158 HydrophobicContact CB-CD1 3.8Å; A153-L158 HydrophobicContact CB-CD2 3.83Å; A153-L158 HydrophobicContact CB-CG 3.84Å
154I94.9Very high95.7Very high60 Ų6051.3 Ų51.331%0.30831%0.307SS..EExtended strand (participates in β ladder)trans-78.2129.1174.7-59.7170.9000108.9P127 A156 V157 L158P127-I154 HydrophobicContact CG-CG2 4.22Å; I154-A156 PolarHBondContact O-N 2.81Å; I154-V157 HydrophobicContact CB-CB 4.28Å; I154-V157 HydrophobicContact CB-CG2 3.91Å; I154-V157 HydrophobicContact CG2-CG2 4.2Å; I154-V157 WeakPolarHBondContact O-CB 3.47Å; I154-V157 PolarHBondContact O-N 2.85Å; I154-L158 PolarHBondContact O-N 3.47Å
155Q93.9Very high95.5Very high23 Ų2355.1 Ų55.111%0.10731%0.314CS..Hα-helixtrans-50.3-50.9-178.2-72.6167.6-32.400113D29 T124 E125 V157 L158 S159D29-Q155 PolarHBondContact OD1-NE2 3.29Å; D29-Q155 VanDerWaalsContact OD1-NE2 3.09Å; T124-Q155 HydrophobicContact CG2-CG 4.47Å; T124-Q155 PolarHBondContact OG1-NE2 3.02Å; E125-Q155 WeakPolarHBondContact O-CG 3.45Å; E125-Q155 PolarHBondContact O-N 2.88Å; E125-Q155 VanDerWaalsContact O-N 3.1Å; Q155-V157 VanDerWaalsContact C-N 3.28Å; Q155-V157 PolarHBondContact O-N 2.84Å; Q155-L158 PolarHBondContact O-N 2.8Å; Q155-S159 PolarHBondContact O-N 2.89Å; Q155-S159 PolarHBondContact O-OG 2.59Å
156A94.5Very high95.4Very high0 Ų058.7 Ų58.70%034%0.337CS..Hα-helixtrans-62.8-32.5-179.100000113.5I154 S159 L160 V170 V181I154-A156 PolarHBondContact O-N 2.81Å; A156-S159 PolarHBondContact O-N 3.2Å; A156-L160 PolarHBondContact O-N 2.84Å; A156-V170 HydrophobicContact CB-CB 4.14Å; A156-V170 HydrophobicContact CB-CG1 4.02Å; A156-V181 HydrophobicContact CB-CB 3.66Å; A156-V181 HydrophobicContact CB-CG1 4.1Å; A156-V181 HydrophobicContact CB-CG2 3.56Å
157V94.8Very high95.3Very high24 Ų2457 Ų5715%0.14533%0.33CS..Hα-helixtrans-69.7-44.1178.1176.50000110.3I154 Q155 S159 L160 Y161 I183I154-V157 HydrophobicContact CB-CB 4.28Å; I154-V157 HydrophobicContact CB-CG2 3.91Å; I154-V157 HydrophobicContact CG2-CG2 4.2Å; I154-V157 WeakPolarHBondContact O-CB 3.47Å; I154-V157 PolarHBondContact O-N 2.85Å; Q155-V157 VanDerWaalsContact C-N 3.28Å; Q155-V157 PolarHBondContact O-N 2.84Å; V157-S159 VanDerWaalsContact C-N 3.31Å; V157-S159 PolarHBondContact O-N 3.35Å; V157-L160 PolarHBondContact O-N 3.1Å; V157-L160 VanDerWaalsContact O-N 3.17Å; V157-Y161 HydrophobicContact CG1-CD2 3.95Å; V157-Y161 HydrophobicContact CG1-CE1 4.34Å; V157-Y161 HydrophobicContact CG1-CE2 3.45Å; V157-Y161 VanDerWaalsContact CG1-CE2 3.45Å; V157-Y161 PolarHBondContact O-N 2.92Å; V157-I183 HydrophobicContact CB-CD1 4.4Å; V157-I183 HydrophobicContact CG2-CD1 3.92Å; V157-I183 HydrophobicContact CG2-CG1 4.25Å
158L94.8Very high95.2Very high58 Ų5858.2 Ų58.230%0.30434%0.343SS..Hα-helixtrans-60.4-42.3174.2-64.2-178.2000111.8L122 T124 A153 I154 Q155 L160 Y161 A162L122-L158 HydrophobicContact CD2-CD1 4.09Å; T124-L158 HydrophobicContact CG2-CD1 3.65Å; A153-L158 HydrophobicContact CB-CD1 3.8Å; A153-L158 HydrophobicContact CB-CD2 3.83Å; A153-L158 HydrophobicContact CB-CG 3.84Å; I154-L158 PolarHBondContact O-N 3.47Å; Q155-L158 PolarHBondContact O-N 2.8Å; L158-L160 VanDerWaalsContact C-N 3.31Å; L158-L160 PolarHBondContact O-N 2.79Å; L158-Y161 PolarHBondContact O-N 3.01Å; L158-A162 WeakPolarHBondContact O-CB 3.39Å; L158-A162 PolarHBondContact O-N 2.84Å
159S94.1Very high95.2Very high60 Ų6060.6 Ų60.642%0.4235%0.351SS..Hα-helixtrans-61.1-38.1175.5-65.90000112.5Q155 A156 V157 S163Q155-S159 PolarHBondContact O-N 2.89Å; Q155-S159 PolarHBondContact O-OG 2.59Å; A156-S159 PolarHBondContact O-N 3.2Å; V157-S159 VanDerWaalsContact C-N 3.31Å; V157-S159 PolarHBondContact O-N 3.35Å; S159-S163 PolarHBondContact O-N 2.93Å
160L95.3Very high95.1Very high8 Ų859.3 Ų59.34%0.04234%0.339CS..Hα-helixtrans-67.1-46.5175.3-17169.6000111.5A156 V157 L158 A162 S163 R165 V170 I183A156-L160 PolarHBondContact O-N 2.84Å; V157-L160 PolarHBondContact O-N 3.1Å; V157-L160 VanDerWaalsContact O-N 3.17Å; L158-L160 VanDerWaalsContact C-N 3.31Å; L158-L160 PolarHBondContact O-N 2.79Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 3.35Å; L160-S163 WeakPolarHBondContact O-CA 3.46Å; L160-S163 WeakPolarHBondContact O-CB 3.24Å; L160-S163 PolarHBondContact O-N 3.35Å; L160-S163 PolarHBondContact O-OG 3.45Å; L160-R165 HydrophobicContact CD1-CB 3.92Å; L160-R165 HydrophobicContact CG-CB 4.13Å; L160-R165 WeakPolarHBondContact CG-O 3.24Å; L160-R165 PolarHBondContact O-N 2.92Å; L160-V170 HydrophobicContact CB-CG2 3.8Å; L160-V170 HydrophobicContact CD1-CG2 3.95Å; L160-V170 HydrophobicContact CG-CG2 4.41Å; L160-I183 HydrophobicContact CB-CD1 3.84Å; L160-I183 HydrophobicContact CD2-CB 3.65Å; L160-I183 HydrophobicContact CD2-CD1 3.7Å; L160-I183 HydrophobicContact CD2-CG1 4.28Å; L160-I183 HydrophobicContact CD2-CG2 3.56Å; L160-I183 HydrophobicContact CG-CD1 4.36Å
161Y94.1Very high95.1Very high108 Ų10864.3 Ų64.342%0.42436%0.363SS..Hα-helixtrans-62.6-38.6178.9-69-20.8000112.5V157 L158 S163 G164 R165 T166 G186V157-Y161 HydrophobicContact CG1-CD2 3.95Å; V157-Y161 HydrophobicContact CG1-CE1 4.34Å; V157-Y161 HydrophobicContact CG1-CE2 3.45Å; V157-Y161 VanDerWaalsContact CG1-CE2 3.45Å; V157-Y161 PolarHBondContact O-N 2.92Å; L158-Y161 PolarHBondContact O-N 3.01Å; Y161-S163 PolarHBondContact O-N 2.89Å; Y161-S163 VanDerWaalsContact O-N 3.15Å; Y161-G164 PolarHBondContact O-N 3.24Å; Y161-R165 WeakPolarHBondContact CD1-O 3.34Å; Y161-T166 HydrophobicContact CE1-CG2 4.4Å; Y161-G186 WeakPolarHBondContact OH-CA 3.08Å
162A92.5Very high94.9Very high91 Ų9158.8 Ų58.875%0.75235%0.345SS*.Hα-helixtrans-59.4-25.2173.200000112.7L158 L160 G164L158-A162 WeakPolarHBondContact O-CB 3.39Å; L158-A162 PolarHBondContact O-N 2.84Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 3.35Å; A162-G164 VanDerWaalsContact C-N 3.31Å
163S93.6Very high94.8Very high53 Ų5361.5 Ų61.537%0.37136%0.364SS..THydrogen-bonded Turntrans-84.70.6174.687.40000114.4S159 L160 Y161 R165S159-S163 PolarHBondContact O-N 2.93Å; L160-S163 WeakPolarHBondContact O-CA 3.46Å; L160-S163 WeakPolarHBondContact O-CB 3.24Å; L160-S163 PolarHBondContact O-N 3.35Å; L160-S163 PolarHBondContact O-OG 3.45Å; Y161-S163 PolarHBondContact O-N 2.89Å; Y161-S163 VanDerWaalsContact O-N 3.15Å; S163-R165 PolarHBondContact O-NH1 3.5Å; S163-R165 PolarHBondContact OG-NH1 2.86Å
164G94.4Very high94.6Very high73 Ų7363.3 Ų63.375%0.75338%0.384SS*.THydrogen-bonded Turntrans72.725.4-177.700000114.2Y161 A162Y161-G164 PolarHBondContact O-N 3.24Å; A162-G164 VanDerWaalsContact C-N 3.31Å
165R95.1Very high94.5Very high147 Ų14766.6 Ų66.656%0.55540%0.402SS*.  trans-121.3150.7-178.7-66.1176.4-178.774.13.3110.8L160 Y161 S163L160-R165 HydrophobicContact CD1-CB 3.92Å; L160-R165 HydrophobicContact CG-CB 4.13Å; L160-R165 WeakPolarHBondContact CG-O 3.24Å; L160-R165 PolarHBondContact O-N 2.92Å; Y161-R165 WeakPolarHBondContact CD1-O 3.34Å; S163-R165 PolarHBondContact O-NH1 3.5Å; S163-R165 PolarHBondContact OG-NH1 2.86Å
166T93.8Very high94.2Very high84 Ų8466.7 Ų66.752%0.51541%0.409SS..SBendtrans-113.9-13.4175.6540000113Y161 E185 G186Y161-T166 HydrophobicContact CE1-CG2 4.4Å; T166-E185 PolarHBondContact O-N 2.8Å; T166-G186 PolarHBondContact O-N 2.96Å
167T95.6Very high94.1Very high63 Ų6368.4 Ų68.439%0.38742%0.419SS..SBendtrans-132.5133.6175.6-62.80000109.1I183 Y184 E185T167-I183 CarbonylContact C-O 3.59Å; T167-I183 WeakPolarHBondContact CA-O 3.38Å; T167-Y184 HydrophobicContact CG2-CD2 3.69Å; T167-Y184 HydrophobicContact CG2-CE2 4.31Å; T167-Y184 HydrophobicContact CG2-CG 4.48Å; T167-E185 PolarHBondContact OG1-N 3.44Å
168G96Very high94Very high29 Ų2970.7 Ų70.730%0.29943%0.433SS..EExtended strand (participates in β ladder)trans169.2-177.418000000112.6I183G168-I183 PolarHBondContact N-O 3.22Å; G168-I183 PolarHBondContact O-N 2.97Å; G168-I183 VanDerWaalsContact O-O 3.05Å
169I96.1Very high93.9Very high124 Ų12469.9 Ų69.964%0.63643%0.428SS*.EExtended strand (participates in β ladder)trans-117127.1169.4-174169.8000108.4
170V96.8Very high94Very high18 Ų1871.5 Ų71.511%0.10944%0.435CS..EExtended strand (participates in β ladder)trans-103.4126.1176.4176.40000108.7A156 L160 D172 T180 V181 I183A156-V170 HydrophobicContact CB-CB 4.14Å; A156-V170 HydrophobicContact CB-CG1 4.02Å; L160-V170 HydrophobicContact CB-CG2 3.8Å; L160-V170 HydrophobicContact CD1-CG2 3.95Å; L160-V170 HydrophobicContact CG-CG2 4.41Å; V170-D172 HydrophobicContact CG1-CB 4.28Å; V170-T180 CarbonylContact O-C 3.46Å; V170-T180 WeakPolarHBondContact O-CA 3.45Å; V170-V181 PolarHBondContact N-O 3.25Å; V170-V181 PolarHBondContact O-N 3.14Å; V170-I183 HydrophobicContact CG2-CD1 4.09Å
171M96.1Very high93.9Very high139 Ų13972.3 Ų72.369%0.68544%0.441SS*.EExtended strand (participates in β ladder)trans-101102.7165.4-177.8175.5176.600107.6T178 H179 T180M171-T178 HydrophobicContact CE-CG2 3.93Å; M171-T178 HydrophobicContact CG-CG2 4.42Å; M171-H179 CarbonylContact C-O 3.58Å; M171-H179 WeakPolarHBondContact CA-O 3.42Å; M171-T180 HydrophobicContact CB-CG2 4.42Å; M171-T180 HydrophobicContact CG-CG2 4.22Å
172D92.9Very high94Very high42 Ų4272 Ų7223%0.22545%0.452CS..EExtended strand (participates in β ladder)trans-100.2118.3179-170.7-2000109V170 T178 H179V170-D172 HydrophobicContact CG1-CB 4.28Å; D172-T178 CarbonylContact O-C 3.59Å; D172-T178 WeakPolarHBondContact O-CA 3.23Å; D172-H179 PolarHBondContact N-O 3.15Å; D172-H179 PolarHBondContact O-N 3.27Å
173S94.7Very high94.1Very high81 Ų8168.2 Ų68.257%0.56642%0.419SS*.EExtended strand (participates in β ladder)trans-125104.7-177.7-167.10000109T178S173-T178 PolarHBondContact OG-OG1 2.92Å
174G92.3Very high94.2Very high45 Ų4573.6 Ų73.646%0.46443%0.432SS..  trans-107.6-164.9176.900000112.1V177G174-V177 PolarHBondContact N-O 3.37Å
175D92.2Very high94Very high129 Ų12976.7 Ų76.769%0.6943%0.427SS*.SBendtrans-64.9-53.4-177-176.771.1000112.9G33G33-D175 WeakPolarHBondContact CA-OD2 3.35Å
176G88.8Confident93.2Very high24 Ų2472.6 Ų72.625%0.24743%0.431CS..SBendtrans-95.1-10.5-175.100000115.9S32 H91S32-G176 PolarHBondContact OG-N 3.33Å; H91-G176 PolarHBondContact ND1-O 3.44Å
177V92.4Very high93.1Very high36 Ų3672.1 Ų72.122%0.21843%0.427CS..  trans-160.1149.8-169.467.40000112.8G174 H179G174-V177 PolarHBondContact N-O 3.37Å; V177-H179 VanDerWaalsContact CG1-CE1 3.41Å; V177-H179 WeakPolarHBondContact CG1-CE1 3.38Å; V177-H179 WeakPolarHBondContact CG2-CE1 3.37Å; V177-H179 WeakPolarHBondContact CG2-NE2 3.39Å
178T93.3Very high93Very high72 Ų7272.5 Ų72.544%0.44243%0.429SS..EExtended strand (participates in β ladder)trans-123.8130.1168.8-62.90000109.5M171 D172 S173M171-T178 HydrophobicContact CE-CG2 3.93Å; M171-T178 HydrophobicContact CG-CG2 4.42Å; D172-T178 CarbonylContact O-C 3.59Å; D172-T178 WeakPolarHBondContact O-CA 3.23Å; S173-T178 PolarHBondContact OG-OG1 2.92Å
179H92.7Very high92.9Very high41 Ų4174.9 Ų74.919%0.1944%0.436CS..EExtended strand (participates in β ladder)trans-121.8143.5178.9-62.1106.7000111P127 M171 D172 V177 V181P127-H179 HydrophobicContact CG-CB 3.98Å; M171-H179 CarbonylContact C-O 3.58Å; M171-H179 WeakPolarHBondContact CA-O 3.42Å; D172-H179 PolarHBondContact N-O 3.15Å; D172-H179 PolarHBondContact O-N 3.27Å; V177-H179 VanDerWaalsContact CG1-CE1 3.41Å; V177-H179 WeakPolarHBondContact CG1-CE1 3.38Å; V177-H179 WeakPolarHBondContact CG2-CE1 3.37Å; V177-H179 WeakPolarHBondContact CG2-NE2 3.39Å; H179-V181 HydrophobicContact CB-CG2 4.05Å
180T94.8Very high92.7Very high94 Ų9472.1 Ų72.158%0.57742%0.424SS*.EExtended strand (participates in β ladder)trans-113.9109.9166.353.80000108.6V170 M171V170-T180 CarbonylContact O-C 3.46Å; V170-T180 WeakPolarHBondContact O-CA 3.45Å; M171-T180 HydrophobicContact CB-CG2 4.42Å; M171-T180 HydrophobicContact CG-CG2 4.22Å
181V94.6Very high92.4Very high25 Ų2575.4 Ų75.415%0.15244%0.444CS..EExtended strand (participates in β ladder)trans-116.4106.2-173.1-171.10000109.1P127 A156 V170 H179 I183P127-V181 HydrophobicContact CB-CG2 3.94Å; P127-V181 HydrophobicContact CG-CG2 3.54Å; A156-V181 HydrophobicContact CB-CB 3.66Å; A156-V181 HydrophobicContact CB-CG1 4.1Å; A156-V181 HydrophobicContact CB-CG2 3.56Å; V170-V181 PolarHBondContact N-O 3.25Å; V170-V181 PolarHBondContact O-N 3.14Å; H179-V181 HydrophobicContact CB-CG2 4.05Å; V181-I183 HydrophobicContact CG1-CD1 4.48Å; V181-I183 HydrophobicContact CG1-CG1 4.06Å
182P95.2Very high92.2Very high101 Ų10171.2 Ų71.266%0.65643%0.428SS*.EExtended strand (participates in β ladder)trans-73.7134.1167.630.9-31.9000109.5
183I95.8Very high92.1Very high13 Ų1373.3 Ų73.37%0.06744%0.442CS..EExtended strand (participates in β ladder)trans-129.1134-178.8-61.2160.2000107.4V157 L160 T167 G168 V170 V181 G186V157-I183 HydrophobicContact CB-CD1 4.4Å; V157-I183 HydrophobicContact CG2-CD1 3.92Å; V157-I183 HydrophobicContact CG2-CG1 4.25Å; L160-I183 HydrophobicContact CB-CD1 3.84Å; L160-I183 HydrophobicContact CD2-CB 3.65Å; L160-I183 HydrophobicContact CD2-CD1 3.7Å; L160-I183 HydrophobicContact CD2-CG1 4.28Å; L160-I183 HydrophobicContact CD2-CG2 3.56Å; L160-I183 HydrophobicContact CG-CD1 4.36Å; T167-I183 CarbonylContact C-O 3.59Å; T167-I183 WeakPolarHBondContact CA-O 3.38Å; G168-I183 PolarHBondContact N-O 3.22Å; G168-I183 PolarHBondContact O-N 2.97Å; G168-I183 VanDerWaalsContact O-O 3.05Å; V170-I183 HydrophobicContact CG2-CD1 4.09Å; V181-I183 HydrophobicContact CG1-CD1 4.48Å; V181-I183 HydrophobicContact CG1-CG1 4.06Å; I183-G186 WeakPolarHBondContact CG2-OXT 3.39Å
184Y94Very high91.9Very high166 Ų16672.7 Ų72.765%0.65143%0.433SS*.SBendtrans-134.2119.8-179.7-177.8-91.1000109.2T167 G186T167-Y184 HydrophobicContact CG2-CD2 3.69Å; T167-Y184 HydrophobicContact CG2-CE2 4.31Å; T167-Y184 HydrophobicContact CG2-CG 4.48Å; Y184-G186 PolarHBondContact O-N 2.67Å
185E90.8Very high91.9Very high138 Ų13875 Ų7565%0.64543%0.43SS*.  trans56.631.2179.1-67.9179.4-177.600115.2T166 T167T166-E185 PolarHBondContact O-N 2.8Å; T167-E185 PolarHBondContact OG1-N 3.44Å
186G78.1Confident91.9Very high61 Ų6170.1 Ų70.163%0.62941%0.407SS*.  trans86.90175.300000114.3Y161 T166 I183 Y184Y161-G186 WeakPolarHBondContact OH-CA 3.08Å; T166-G186 PolarHBondContact O-N 2.96Å; I183-G186 WeakPolarHBondContact CG2-OXT 3.39Å; Y184-G186 PolarHBondContact O-N 2.67Å

Retrieved 186 of 186 residues in 295.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).