RBM8A_HUMAN Loading...

RNA-binding protein 8A

Required for pre-mRNA splicing as component of the spliceosome1,2. Core component of the splicing-dependent multiprotein exon junction complex (EJC) deposited at splice junctions on mRNAs. The EJC is a dynamic structure consisting of core proteins and several peripheral nuclear and cytoplasmic associated factors that join the complex only transiently either during EJC assembly or during subsequent mRNA metabolism. The EJC marks the position of the exon-exon junction in the mature mRNA for the gene expression machinery and the core components remain bound to spliced mRNAs throughout all stages of mRNA metabolism thereby influencing downstream processes including nuclear mRNA export, subcellular mRNA localization, translation efficiency and nonsense-mediated mRNA decay (NMD). The MAGOH-RBM8A heterodimer inhibits the ATPase activity of EIF4A3, thereby trapping the ATP-bound EJC core onto spliced mRNA in a stable conformation. The MAGOH-RBM8A heterodimer interacts with the EJC key regulator PYM1 leading to EJC disassembly in the cytoplasm and translation enhancement of EJC-bearing spliced mRNAs by recruiting them to the ribosomal 48S preinitiation complex. Its removal from cytoplasmic mRNAs requires translation initiation from EJC-bearing spliced mRNAs. Associates preferentially with mRNAs produced by splicing. Does not interact with pre-mRNAs, introns, or mRNAs produced from intronless cDNAs. Associates with both nuclear mRNAs and newly exported cytoplasmic mRNAs. The MAGOH-RBM8A heterodimer is a component of the nonsense mediated decay (NMD) pathway. Involved in the splicing modulation of BCL2L1/Bcl-X (and probably other apoptotic genes); specifically inhibits formation of proapoptotic isoforms such as Bcl-X(S); the function is different from the established EJC assembly.

AlphaFold DB , UniProt , Accession Q9Y5S9, Species HUMAN (Homo sapiens, Human), Gene RBM8A, Length 174 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.6Very low51.1Low238 Ų238145.6 Ų145.6100%1.17283%0.832SS**  0111.60-86.8158.8158.100105.4
2A46.1Very low51.3Low99 Ų99139.8 Ų139.882%0.81883%0.827SS**  trans-85.9116.5170.400000106V4A2-V4 PolarHBondContact O-N 3.05Å
3D50.1Low52.8Low155 Ų155143.1 Ų143.183%0.82983%0.829SS**  trans-66.2115.7173-74-40.4000108.2L5D3-L5 PolarHBondContact O-N 3.18Å
4V51Low54.7Low122 Ų122143.9 Ų143.974%0.73983%0.829SS**  trans-73.5108.5167.7172.70000105.5A2 D6A2-V4 PolarHBondContact O-N 3.05Å; V4-D6 PolarHBondContact O-N 2.89Å; V4-D6 VanDerWaalsContact O-N 3.13Å
5L53.8Low56.4Low156 Ų156148.1 Ų148.182%0.81783%0.834SS**  trans-62.4112.4165.7-76.5163.5000107.6D3 L7D3-L5 PolarHBondContact O-N 3.18Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.77Å
6D50.9Low58.1Low138 Ų138144.6 Ų144.674%0.73883%0.83SS**  trans-6396.2165.8-78.6-38.1000108V4 H8V4-D6 PolarHBondContact O-N 2.89Å; V4-D6 VanDerWaalsContact O-N 3.13Å; D6-H8 VanDerWaalsContact C-N 3.27Å; D6-H8 PolarHBondContact O-N 2.57Å
7L55.8Low59.6Low171 Ų171146.8 Ų146.890%0.89583%0.833SS**  trans-57.396162.4-92.6145.6000106.8L5 E9L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.77Å; L7-E9 PolarHBondContact O-N 3.09Å
8H52.8Low61.1Low175 Ų175143.2 Ų143.281%0.8181%0.812SS**  trans-49.5129.1166.7-8568.3000107.5D6 A10D6-H8 VanDerWaalsContact C-N 3.27Å; D6-H8 PolarHBondContact O-N 2.57Å; H8-A10 PolarHBondContact O-N 3.01Å
9E51Low62.4Low186 Ų186143.7 Ų143.787%0.86981%0.807SS**  trans-38.3123.4178-65.8174.7149.600109.5L7 G11L7-E9 PolarHBondContact O-N 3.09Å; E9-G11 PolarHBondContact O-N 2.63Å
10A56Low63.6Low103 Ų103142.8 Ų142.885%0.85180%0.8SS**  trans-61.584.4162.300000106.3H8 G12H8-A10 PolarHBondContact O-N 3.01Å; A10-G12 PolarHBondContact O-N 2.71Å
11G51.4Low64.6Low59 Ų59136.7 Ų136.761%0.60877%0.769SS**  trans-51.8113.7166.500000105E9 E13E9-G11 PolarHBondContact O-N 2.63Å; G11-E13 PolarHBondContact O-N 2.72Å
12G52.9Low66.8Low75 Ų75130.6 Ų130.677%0.77374%0.741SS**  trans-66.969.6179.900000109.9A10 D14A10-G12 PolarHBondContact O-N 2.71Å; G12-D14 PolarHBondContact O-N 2.95Å; G12-D14 VanDerWaalsContact O-N 3.12Å
13E70.8Confident68.8Low183 Ų183131 Ų13186%0.85573%0.726SS**  trans-66.2105.4162-66.8-171163.300105.6G11 F15G11-E13 PolarHBondContact O-N 2.72Å; E13-F15 PolarHBondContact O-N 2.67Å
14D79.7Confident70.5Confident154 Ų154126.8 Ų126.882%0.82471%0.708SS**PPolyproline II helixtrans-53.2138.9167.4-72.2-46.5000108.4G12 A16G12-D14 PolarHBondContact O-N 2.95Å; G12-D14 VanDerWaalsContact O-N 3.12Å; D14-A16 PolarHBondContact O-N 2.76Å
15F80.8Confident72.2Confident207 Ų207124.7 Ų124.791%0.90869%0.693SS**PPolyproline II helixtrans-52.3128.3174.6-67.3-71.6000109.4E13 M17E13-F15 PolarHBondContact O-N 2.67Å; F15-M17 PolarHBondContact O-N 3.2Å
16A83Confident73.8Confident93 Ų93122.5 Ų122.577%0.76968%0.678SS**PPolyproline II helixtrans-57.2135.2174.700000109.7D14 D18D14-A16 PolarHBondContact O-N 2.76Å; A16-D18 PolarHBondContact O-N 2.72Å
17M84.2Confident75.6Confident181 Ų181120.8 Ų120.889%0.89266%0.664SS**PPolyproline II helixtrans-64.6122.6175-69.9-171.3-6700109.7F15F15-M17 PolarHBondContact O-N 3.2Å
18D85.6Confident77.2Confident83 Ų83118.6 Ų118.644%0.44465%0.652SS.*  trans-121.884.1177.6-179.412.2000109.7A16 D20 G21 D22A16-D18 PolarHBondContact O-N 2.72Å; D18-D20 VanDerWaalsContact C-N 3.26Å; D18-D20 PolarHBondContact O-N 2.65Å; D18-D20 PolarHBondContact OD1-N 3.38Å; D18-G21 VanDerWaalsContact CG-N 3.33Å; D18-G21 PolarHBondContact O-N 3.38Å; D18-G21 PolarHBondContact OD1-N 3.18Å; D18-G21 WeakPolarHBondContact OD2-CA 3.35Å; D18-G21 PolarHBondContact OD2-N 3.31Å; D18-D22 PolarHBondContact O-N 3.27Å
19E87.2Confident78.8Confident153 Ų153116.7 Ų116.772%0.71564%0.642SS**Hα-helixtrans-59.3-37.7-179.1-64.7-177.6172.900112D22 E23E19-D22 PolarHBondContact O-N 3.44Å; E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 WeakPolarHBondContact O-CG 3.39Å; E19-E23 PolarHBondContact O-N 3.05Å
20D85.9Confident80.6Confident125 Ų125114.2 Ų114.267%0.66863%0.63SS**Hα-helixtrans-67.1-44.3178.7-79.8-36.8000110.9D18 S24D18-D20 VanDerWaalsContact C-N 3.26Å; D18-D20 PolarHBondContact O-N 2.65Å; D18-D20 PolarHBondContact OD1-N 3.38Å; D20-S24 WeakPolarHBondContact O-CB 3.23Å; D20-S24 PolarHBondContact O-N 2.97Å
21G85Confident82.2Confident14 Ų14117.1 Ų117.114%0.14462%0.624CS.*Hα-helixtrans-59.1-49.2173.600000112.1D18 E23 S24 I25D18-G21 VanDerWaalsContact CG-N 3.33Å; D18-G21 PolarHBondContact O-N 3.38Å; D18-G21 PolarHBondContact OD1-N 3.18Å; D18-G21 WeakPolarHBondContact OD2-CA 3.35Å; D18-G21 PolarHBondContact OD2-N 3.31Å; G21-E23 PolarHBondContact O-N 3.41Å; G21-S24 WeakPolarHBondContact O-CB 3Å; G21-S24 PolarHBondContact O-N 2.92Å; G21-S24 VanDerWaalsContact O-N 3.14Å; G21-S24 PolarHBondContact O-OG 3.35Å; G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 2.84Å
22D88.4Confident83.8Confident111 Ų111116.6 Ų116.659%0.59461%0.614SS**Hα-helixtrans-61.1-45178.3-78.8-22.9000112.3D18 E19 S24 I25 H26D18-D22 PolarHBondContact O-N 3.27Å; E19-D22 PolarHBondContact O-N 3.44Å; D22-S24 VanDerWaalsContact C-N 3.3Å; D22-S24 PolarHBondContact O-N 3.24Å; D22-I25 PolarHBondContact O-N 3.19Å; D22-H26 WeakPolarHBondContact O-CB 3.1Å; D22-H26 PolarHBondContact O-N 3.15Å
23E88.4Confident85.4Confident106 Ų106123 Ų12350%0.49562%0.62SS.*Hα-helixtrans-60.2-39.8173.9-82.7-162.2-172.400112.4E19 G21 H26 K27E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 WeakPolarHBondContact O-CG 3.39Å; E19-E23 PolarHBondContact O-N 3.05Å; G21-E23 PolarHBondContact O-N 3.41Å; E23-H26 PolarHBondContact O-N 3.43Å; E23-K27 WeakPolarHBondContact O-CG 3.38Å; E23-K27 PolarHBondContact O-N 2.96Å; E23-K27 IonicContact OE2-NZ 3.78Å; E23-K27 PolarHBondContact OE2-NZ 3.4Å
24S85.9Confident85.9Confident67 Ų67122.3 Ų122.347%0.46961%0.614SS.*Hα-helixtrans-64.8-43.5-179.883.20000111.3D20 G21 D22 H26 K27 L28D20-S24 WeakPolarHBondContact O-CB 3.23Å; D20-S24 PolarHBondContact O-N 2.97Å; G21-S24 WeakPolarHBondContact O-CB 3Å; G21-S24 PolarHBondContact O-N 2.92Å; G21-S24 VanDerWaalsContact O-N 3.14Å; G21-S24 PolarHBondContact O-OG 3.35Å; D22-S24 VanDerWaalsContact C-N 3.3Å; D22-S24 PolarHBondContact O-N 3.24Å; S24-H26 VanDerWaalsContact C-N 3.35Å; S24-K27 PolarHBondContact O-N 2.96Å; S24-L28 WeakPolarHBondContact O-CB 3.47Å; S24-L28 PolarHBondContact O-N 3.14Å
25I87.4Confident85.8Confident79 Ų79121.7 Ų121.741%0.40560%0.6SS.*Hα-helixtrans-65-40.9175.8-66.5172.4000110G21 D22 L28 K29G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 2.84Å; D22-I25 PolarHBondContact O-N 3.19Å; I25-L28 PolarHBondContact O-N 2.99Å; I25-K29 HydrophobicContact CG2-CD 4Å; I25-K29 HydrophobicContact CG2-CG 4.44Å; I25-K29 WeakPolarHBondContact O-CB 3.33Å; I25-K29 WeakPolarHBondContact O-CG 3.29Å; I25-K29 PolarHBondContact O-N 3.36Å
26H86.9Confident85.8Confident110 Ų110115.7 Ų115.751%0.50957%0.574SS.*Hα-helixtrans-59.5-50.9175.7-171.4-87.1000111.4D22 E23 S24 L28 K29 E30D22-H26 WeakPolarHBondContact O-CB 3.1Å; D22-H26 PolarHBondContact O-N 3.15Å; E23-H26 PolarHBondContact O-N 3.43Å; S24-H26 VanDerWaalsContact C-N 3.35Å; H26-L28 VanDerWaalsContact C-N 3.28Å; H26-L28 PolarHBondContact O-N 2.72Å; H26-K29 PolarHBondContact O-N 3.34Å; H26-E30 VanDerWaalsContact CE1-CD 3.42Å; H26-E30 IonicContact CE1-OE1 3.83Å; H26-E30 PolarHBondContact CE1-OE1 3.13Å; H26-E30 IonicContact ND1-OE1 2.73Å; H26-E30 IonicContact ND1-OE2 2.73Å; H26-E30 PolarHBondContact O-N 3.43Å
27K89.5Confident85.7Confident102 Ų102113.3 Ų113.344%0.44356%0.558SS.*Hα-helixtrans-60.3-36.3176.7-71.2163.9-170.91500112.2E23 S24 K31E23-K27 WeakPolarHBondContact O-CG 3.38Å; E23-K27 PolarHBondContact O-N 2.96Å; E23-K27 IonicContact OE2-NZ 3.78Å; E23-K27 PolarHBondContact OE2-NZ 3.4Å; S24-K27 PolarHBondContact O-N 2.96Å; K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 3.4Å
28L88.4Confident85.6Confident125 Ų125117 Ų11765%0.65456%0.562SS**Hα-helixtrans-65.8-46.5175.9-175.267.8000111.2S24 I25 H26 E30 K31 A32S24-L28 WeakPolarHBondContact O-CB 3.47Å; S24-L28 PolarHBondContact O-N 3.14Å; I25-L28 PolarHBondContact O-N 2.99Å; H26-L28 VanDerWaalsContact C-N 3.28Å; H26-L28 PolarHBondContact O-N 2.72Å; L28-E30 PolarHBondContact O-N 3.47Å; L28-K31 PolarHBondContact O-N 2.99Å; L28-A32 PolarHBondContact O-N 2.95Å
29K87.3Confident85.4Confident134 Ų134116.9 Ų116.958%0.58358%0.581SS**Hα-helixtrans-62.9-38.5177.3-73.9173179.9169.90112.3I25 H26 K31 A32I25-K29 HydrophobicContact CG2-CD 4Å; I25-K29 HydrophobicContact CG2-CG 4.44Å; I25-K29 WeakPolarHBondContact O-CB 3.33Å; I25-K29 WeakPolarHBondContact O-CG 3.29Å; I25-K29 PolarHBondContact O-N 3.36Å; H26-K29 PolarHBondContact O-N 3.34Å; K29-K31 VanDerWaalsContact C-N 3.33Å; K29-K31 PolarHBondContact O-N 3.36Å; K29-A32 WeakPolarHBondContact O-CB 3.44Å; K29-A32 PolarHBondContact O-N 2.68Å
30E87.8Confident84.8Confident134 Ų134113.8 Ų113.863%0.62657%0.565SS**Hα-helixtrans-65.9-33.3175.9-75-171.2145.400113.1H26 L28 A32H26-E30 VanDerWaalsContact CE1-CD 3.42Å; H26-E30 IonicContact CE1-OE1 3.83Å; H26-E30 PolarHBondContact CE1-OE1 3.13Å; H26-E30 IonicContact ND1-OE1 2.73Å; H26-E30 IonicContact ND1-OE2 2.73Å; H26-E30 PolarHBondContact O-N 3.43Å; L28-E30 PolarHBondContact O-N 3.47Å; E30-A32 PolarHBondContact O-N 3.26Å
31K89.4Confident83.9Confident165 Ų165111 Ų11172%0.71757%0.566SS**Hα-helixtrans-74.4-12.5177.4-73.3174.2-176172.20113.6K27 L28 K29 K33K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 3.4Å; L28-K31 PolarHBondContact O-N 2.99Å; K29-K31 VanDerWaalsContact C-N 3.33Å; K29-K31 PolarHBondContact O-N 3.36Å; K31-K33 PolarHBondContact O-N 2.86Å; K31-K33 VanDerWaalsContact O-N 3.12Å
32A86.2Confident82.2Confident48 Ų48116.3 Ų116.340%0.39760%0.601SS.*  trans-69.2107.4-178.700000111.3L28 K29 E30 K34L28-A32 PolarHBondContact O-N 2.95Å; K29-A32 WeakPolarHBondContact O-CB 3.44Å; K29-A32 PolarHBondContact O-N 2.68Å; E30-A32 PolarHBondContact O-N 3.26Å; A32-K34 VanDerWaalsContact C-N 3.3Å; A32-K34 PolarHBondContact O-N 3.49Å
33K84.7Confident80.5Confident209 Ų209119.5 Ų119.591%0.90961%0.612SS**SBendtrans-72.4-19179.9-62.6-175-178.8179.30114.4K31K31-K33 PolarHBondContact O-N 2.86Å; K31-K33 VanDerWaalsContact O-N 3.12Å
34K82.9Confident78.5Confident168 Ų168123.9 Ų123.973%0.7363%0.633SS**  trans-124.8124.5-178.8-67-177.5179.9177.60108.5A32A32-K34 VanDerWaalsContact C-N 3.3Å; A32-K34 PolarHBondContact O-N 3.49Å
35R77.5Confident76.7Confident142 Ų142122 Ų12254%0.53662%0.624SS.*  trans-127.6133.8177.3-58.6175.578.3162.82.8107.7F40R35-F40 HydrophobicContact CB-CD1 4.48Å; R35-F40 HydrophobicContact CB-CD2 4.16Å; R35-F40 HydrophobicContact CB-CE1 4.47Å; R35-F40 HydrophobicContact CB-CE2 4.15Å; R35-F40 HydrophobicContact CB-CG 4.33Å; R35-F40 HydrophobicContact CB-CZ 4.3Å; R35-F40 HydrophobicContact CG-CZ 4.49Å; R35-F40 VanDerWaalsContact NE-CE1 3.29Å; R35-F40 VanDerWaalsContact NH2-CE1 3.34Å
36K81.3Confident75.2Confident81 Ų81123 Ų12335%0.35264%0.638SS.*  trans-154.1142.7177.1171.2168.3-168.6155.20109.4F40 G45 S46 R47K36-F40 WeakPolarHBondContact O-CE2 3.07Å; K36-G45 VanDerWaalsContact CD-C 3.43Å; K36-G45 VanDerWaalsContact CD-O 3.25Å; K36-G45 WeakPolarHBondContact CD-O 3.26Å; K36-G45 WeakPolarHBondContact CE-O 3.43Å; K36-G45 PolarHBondContact NZ-O 2.88Å; K36-S46 VanDerWaalsContact CD-C 3.45Å; K36-S46 WeakPolarHBondContact CD-O 3.44Å; K36-R47 HydrophobicContact CD-CB 4.3Å; K36-R47 HydrophobicContact CD-CG 3.84Å; K36-R47 VanDerWaalsContact NZ-CG 3.31Å
37G79.6Confident73.5Confident43 Ų43128.5 Ų128.544%0.44365%0.654SS.*SBendtrans128.4160.5171.200000111.3G39 F40G37-G39 PolarHBondContact O-N 3.11Å; G37-G39 VanDerWaalsContact O-N 3.13Å; G37-F40 PolarHBondContact O-N 3.47Å; G37-F40 VanDerWaalsContact O-N 3.16Å
38R82.6Confident71.8Confident259 Ų259127.3 Ų127.398%0.97766%0.663SS**THydrogen-bonded Turntrans-64.7-15.1-177.1-66.5-179.9175.3177.2-2.7114.1F40R38-F40 VanDerWaalsContact C-N 3.3Å
39G82.3Confident69.9Low80 Ų80133.5 Ų133.583%0.82568%0.678SS**THydrogen-bonded Turntrans-76.3-15.2176.200000114.1G37G37-G39 PolarHBondContact O-N 3.11Å; G37-G39 VanDerWaalsContact O-N 3.13Å
40F74.3Confident68.2Low88 Ų88135.8 Ų135.839%0.38669%0.693SS.*SBendtrans-95.1119.5163.7-52.5-72.3000105.2R35 K36 G37 R38R35-F40 HydrophobicContact CB-CD1 4.48Å; R35-F40 HydrophobicContact CB-CD2 4.16Å; R35-F40 HydrophobicContact CB-CE1 4.47Å; R35-F40 HydrophobicContact CB-CE2 4.15Å; R35-F40 HydrophobicContact CB-CG 4.33Å; R35-F40 HydrophobicContact CB-CZ 4.3Å; R35-F40 HydrophobicContact CG-CZ 4.49Å; R35-F40 VanDerWaalsContact NE-CE1 3.29Å; R35-F40 VanDerWaalsContact NH2-CE1 3.34Å; K36-F40 WeakPolarHBondContact O-CE2 3.07Å; G37-F40 PolarHBondContact O-N 3.47Å; G37-F40 VanDerWaalsContact O-N 3.16Å; R38-F40 VanDerWaalsContact C-N 3.3Å
41G66Low66.5Low67 Ų67140.6 Ų140.669%0.69171%0.705SS**  trans-45.6149.2174.500000110.9E43G41-E43 PolarHBondContact O-N 2.81Å
42S48.5Very low65.1Low125 Ų125138.9 Ų138.987%0.87470%0.7SS**SBendtrans-42.284-164.157.70000116.2
43E53Low64.3Low178 Ų178144 Ų14483%0.83272%0.72SS**  trans-144.1138.6161.6-72.7-167.4139.100108.9G41G41-E43 PolarHBondContact O-N 2.81Å
44E47.6Very low63.5Low198 Ų198137.8 Ų137.893%0.92569%0.692SS**  trans-58.5143.4-156.6-66.117312500115.3
45G48.2Very low62.7Low28 Ų28137.8 Ų137.829%0.28970%0.7SS.*  trans-127.6126.9174.200000113.4K36K36-G45 VanDerWaalsContact CD-C 3.43Å; K36-G45 VanDerWaalsContact CD-O 3.25Å; K36-G45 WeakPolarHBondContact CD-O 3.26Å; K36-G45 WeakPolarHBondContact CE-O 3.43Å; K36-G45 PolarHBondContact NZ-O 2.88Å
46S55.3Low62.1Low100 Ų100135 Ų13570%0.69970%0.702SS**  trans-84.1134.2161.655.90000111.3K36K36-S46 VanDerWaalsContact CD-C 3.45Å; K36-S46 WeakPolarHBondContact CD-O 3.44Å
47R51.3Low61Low225 Ų225134.6 Ų134.685%0.84971%0.706SS**  trans-83.7126.1-179.8-105.4157.5-176.9145.2-1109.2K36K36-R47 HydrophobicContact CD-CB 4.3Å; K36-R47 HydrophobicContact CD-CG 3.84Å; K36-R47 VanDerWaalsContact NZ-CG 3.31Å
48A54.5Low59.9Low76 Ų76140.1 Ų140.163%0.62872%0.72SS**  trans-119.9134.8158.700000107.8
49R48.1Very low58.7Low256 Ų256135.6 Ų135.697%0.96671%0.71SS**PPolyproline II helixtrans-75.5120.1175.1-65.1-179179.3-180-0.6107.6
50M51.5Low57.3Low182 Ų182136.3 Ų136.390%0.89770%0.695SS**PPolyproline II helixtrans-89.8133.5175.1-164.4162.7-17300108.2
51R51.1Low56.4Low234 Ų234136.5 Ų136.588%0.88372%0.722SS**PPolyproline II helixtrans-70.9134170.8-172.8175172.3-170.9-2.5107.2D53R51-D53 PolarHBondContact O-N 3.26Å; R51-D53 VanDerWaalsContact O-N 3.11Å
52E60.6Low56.2Low129 Ų129137.6 Ų137.660%0.60371%0.712SS**  trans-68.1106.4179.2-65.8173.9170.800107.9K114E52-K114 IonicContact OE1-NZ 3.04Å; E52-K114 PolarHBondContact OE1-NZ 3.44Å; E52-K114 WeakPolarHBondContact OE2-CE 3.33Å; E52-K114 IonicContact OE2-NZ 2.9Å; E52-K114 PolarHBondContact OE2-NZ 3.49Å
53D69.1Low57Low155 Ų155135.2 Ų135.283%0.82969%0.687SS**  trans-104.5127.7172.1-164.127.6000105.7R51R51-D53 PolarHBondContact O-N 3.26Å; R51-D53 VanDerWaalsContact O-N 3.11Å
54Y68.4Low58.2Low80 Ų80127.7 Ų127.731%0.31465%0.654SS.*  trans-81.5134.9175.5-67.2-83.3000108S56 F76 T78 K114 Y116Y54-S56 PolarHBondContact O-N 3.38Å; Y54-S56 VanDerWaalsContact O-N 3.11Å; Y54-F76 HydrophobicContact CD1-CE1 4.3Å; Y54-F76 AromaticContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CE1-CZ 4.23Å; Y54-T78 HydrophobicContact CG-CG2 4.43Å; Y54-K114 PolarHBondContact OH-O 2.99Å; Y54-Y116 AromaticContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CE1 4.5Å; Y54-Y116 HydrophobicContact CE1-CG 4.47Å; Y54-Y116 AromaticContact CZ-CD1 3.9Å; Y54-Y116 VanDerWaalsContact OH-CD1 3.26Å; Y54-Y116 WeakPolarHBondContact OH-CD1 3.41Å
55D65.5Low60.1Low167 Ų167119.7 Ų119.789%0.89362%0.624SS**  trans-70.4107.8172.5-154.2-0.9000107.3
56S65Low62.3Low83 Ų83119 Ų11958%0.5862%0.615SS**PPolyproline II helixtrans-94.6136.1170.561.10000108.8Y54 E58Y54-S56 PolarHBondContact O-N 3.38Å; Y54-S56 VanDerWaalsContact O-N 3.11Å; S56-E58 PolarHBondContact O-N 3.28Å
57V58.2Low64.3Low73 Ų73118.3 Ų118.344%0.44260%0.6SS.*PPolyproline II helixtrans-77.2119.5172.3-166.90000106.9Q59 E63 P155V57-Q59 PolarHBondContact O-N 3.32Å; V57-E63 WeakPolarHBondContact CB-OE1 3.46Å; V57-E63 HydrophobicContact CG1-CG 4.12Å; V57-E63 WeakPolarHBondContact CG1-OE1 3.35Å; V57-P155 HydrophobicContact CG1-CG 4.36Å
58E57.5Low66.4Low159 Ų159112.6 Ų112.674%0.74358%0.579SS**PPolyproline II helixtrans-64.4125.4173.6-69.3-170.8155.600109S56 D60S56-E58 PolarHBondContact O-N 3.28Å; E58-D60 PolarHBondContact O-N 2.68Å
59Q55.7Low68.4Low164 Ų164110.2 Ų110.277%0.76656%0.557SS**  trans-69.465.8179.9-164.8177.352.100111.8V57V57-Q59 PolarHBondContact O-N 3.32Å
60D53.3Low70.6Confident96 Ų96104.3 Ų104.351%0.51355%0.55SS..  trans-93.2127.6166.7-96.2-26.6000108E58 D62 E63E58-D60 PolarHBondContact O-N 2.68Å; D60-D62 PolarHBondContact O-N 3Å; D60-E63 PolarHBondContact O-N 2.87Å
61G56.2Low72.7Confident92 Ų92102.6 Ų102.695%0.94854%0.539SS*.THydrogen-bonded Turntrans-61.932.2-167.600000119.7
62D61.2Low74.9Confident90 Ų9091.5 Ų91.548%0.48150%0.497SS..THydrogen-bonded Turntrans-123.124.3165.8-132.1-69.9000110.6D60 K156D60-D62 PolarHBondContact O-N 3Å; D62-K156 HydrophobicContact CB-CB 4.22Å; D62-K156 VanDerWaalsContact OD1-CB 3.23Å; D62-K156 WeakPolarHBondContact OD1-CB 3.37Å; D62-K156 WeakPolarHBondContact OD1-CD 3.47Å
63E64.8Low76.7Confident74 Ų7486.7 Ų86.735%0.34647%0.474SS..PPolyproline II helixtrans-65.2141.3-179.8-89.7-174.2123.700112.3V57 D60 G65V57-E63 WeakPolarHBondContact CB-OE1 3.46Å; V57-E63 HydrophobicContact CG1-CG 4.12Å; V57-E63 WeakPolarHBondContact CG1-OE1 3.35Å; D60-E63 PolarHBondContact O-N 2.87Å; E63-G65 PolarHBondContact O-N 2.96Å
64P79.5Confident78.1Confident21 Ų2180.5 Ų80.514%0.13644%0.441CS..PPolyproline II helixtrans-63.7121.7172.625.3-25000107.1V151 G153P64-V151 HydrophobicContact CB-CB 4.16Å; P64-V151 HydrophobicContact CB-CG2 4.45Å; P64-V151 HydrophobicContact CG-CB 3.84Å; P64-V151 HydrophobicContact CG-CG1 4.45Å; P64-V151 HydrophobicContact CG-CG2 3.8Å; P64-G153 WeakPolarHBondContact CB-O 3.5Å; P64-G153 WeakPolarHBondContact CG-O 3.37Å
65G87.3Confident79.5Confident29 Ų2976.7 Ų76.730%0.29943%0.426SS..PPolyproline II helixtrans-56.6159.2-179.800000111.9E63 R152E63-G65 PolarHBondContact O-N 2.96Å; G65-R152 WeakPolarHBondContact O-CG 3.49Å; G65-R152 PolarHBondContact O-N 2.69Å
66P94.9Very high81.1Confident14 Ų1471.1 Ų71.19%0.09139%0.394CS..BIsolated β-bridgetrans-63.5146.3-172.124.6-34000112.8W73 Y124 W148 R152P66-W73 HydrophobicContact CB-CE3 4.36Å; P66-W73 HydrophobicContact CB-CZ3 3.9Å; P66-W73 HydrophobicContact CG-CZ3 4Å; P66-Y124 HydrophobicContact CG-CD2 4.45Å; P66-Y124 HydrophobicContact CG-CE2 3.61Å; P66-W148 HydrophobicContact CB-CB 4.07Å; P66-W148 HydrophobicContact CB-CD2 3.34Å; P66-W148 HydrophobicContact CB-CE3 3.73Å; P66-W148 HydrophobicContact CB-CG 3.49Å; P66-W148 VanDerWaalsContact CB-CG 3.49Å; P66-W148 HydrophobicContact CB-CZ2 4.3Å; P66-W148 HydrophobicContact CB-CZ3 4.35Å; P66-W148 HydrophobicContact CG-CD2 3.89Å; P66-W148 HydrophobicContact CG-CE3 4.42Å; P66-W148 HydrophobicContact CG-CG 4.23Å; P66-W148 HydrophobicContact CG-CH2 4.48Å; P66-W148 HydrophobicContact CG-CZ2 3.96Å; P66-R152 PolarHBondContact O-NE 3.19Å; P66-R152 PolarHBondContact O-NH1 3.23Å; P66-R152 PolarHBondContact O-NH2 2.86Å
67Q95.7Very high82.6Confident85 Ų8567.2 Ų67.240%0.39737%0.366SS..PPolyproline II helixtrans-101.1126.5178.6176.459.251.900109.6F150 R152Q67-F150 HydrophobicContact CB-CB 3.94Å; Q67-F150 HydrophobicContact CG-CB 4.34Å; Q67-F150 PolarHBondContact N-O 2.86Å; Q67-R152 HydrophobicContact CB-CG 4.34Å
68R96.2Very high84.5Confident106 Ų10664.9 Ų64.940%0.435%0.352SS..PPolyproline II helixtrans-73.2138.5173.4-166.4-174.6173.4-85.82.6109.6V70 E71 G72 W73R68-V70 PolarHBondContact NH1-O 3.39Å; R68-E71 PolarHBondContact NH2-O 3.45Å; R68-E71 VanDerWaalsContact NH2-O 3.09Å; R68-G72 WeakPolarHBondContact CG-O 3.1Å; R68-W73 HydrophobicContact CB-CD2 4.15Å; R68-W73 HydrophobicContact CB-CE3 4.28Å; R68-W73 HydrophobicContact CB-CH2 3.95Å; R68-W73 HydrophobicContact CB-CZ2 3.78Å; R68-W73 HydrophobicContact CB-CZ3 4.18Å; R68-W73 HydrophobicContact CG-CD2 4Å; R68-W73 HydrophobicContact CG-CG 4.3Å; R68-W73 HydrophobicContact CG-CZ2 3.98Å
69S96.5Very high86.4Confident25 Ų2558.4 Ų58.418%0.17533%0.328CS..  trans-76.9-178.8169.2-63.70000111G72 I74S69-G72 WeakPolarHBondContact CA-O 3.27Å; S69-G72 WeakPolarHBondContact CB-O 3.22Å; S69-G72 PolarHBondContact N-O 2.9Å; S69-I74 WeakPolarHBondContact OG-CD1 3.46Å; S69-I74 WeakPolarHBondContact OG-CG1 3.39Å
70V95.1Very high88.4Confident133 Ų13350.8 Ų50.881%0.80629%0.293SS*.SBendtrans-60.2-47.3179.5-179.50000110.8R68R68-V70 PolarHBondContact NH1-O 3.39Å
71E94.6Very high90.5Very high146 Ų14648.2 Ų48.268%0.68228%0.278SS*.SBendtrans-107.3-19.9-172.3-61.2-169.4146.300114R68R68-E71 PolarHBondContact NH2-O 3.45Å; R68-E71 VanDerWaalsContact NH2-O 3.09Å
72G96.9Very high92.5Very high0 Ų049.1 Ų49.10%026%0.257CS..SBendtrans-165-155.3-179.500000115.1R68 S69 E120 Y121R68-G72 WeakPolarHBondContact CG-O 3.1Å; S69-G72 WeakPolarHBondContact CA-O 3.27Å; S69-G72 WeakPolarHBondContact CB-O 3.22Å; S69-G72 PolarHBondContact N-O 2.9Å; G72-E120 VanDerWaalsContact CA-OE1 3.28Å; G72-E120 WeakPolarHBondContact CA-OE1 3.33Å; G72-E120 PolarHBondContact N-OE1 2.99Å; G72-Y121 CarbonylContact C-O 3.52Å; G72-Y121 WeakPolarHBondContact CA-O 3.33Å
73W98.2Very high94.2Very high29 Ų2950.2 Ų50.211%0.1126%0.259CS..EExtended strand (participates in β ladder)trans-115.8120.5177.9-66.983.7000109.1P66 R68 E120 Y121 Y124 A127 W148P66-W73 HydrophobicContact CB-CE3 4.36Å; P66-W73 HydrophobicContact CB-CZ3 3.9Å; P66-W73 HydrophobicContact CG-CZ3 4Å; R68-W73 HydrophobicContact CB-CD2 4.15Å; R68-W73 HydrophobicContact CB-CE3 4.28Å; R68-W73 HydrophobicContact CB-CH2 3.95Å; R68-W73 HydrophobicContact CB-CZ2 3.78Å; R68-W73 HydrophobicContact CB-CZ3 4.18Å; R68-W73 HydrophobicContact CG-CD2 4Å; R68-W73 HydrophobicContact CG-CG 4.3Å; R68-W73 HydrophobicContact CG-CZ2 3.98Å; W73-E120 WeakPolarHBondContact O-CA 3.44Å; W73-Y121 PolarHBondContact N-O 2.95Å; W73-Y121 PolarHBondContact O-N 2.79Å; W73-Y124 HydrophobicContact CD2-CD2 4Å; W73-Y124 AromaticContact CE3-CD2 3.77Å; W73-Y124 HydrophobicContact CE3-CD2 3.77Å; W73-Y124 AromaticContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CE2 4.36Å; W73-Y124 HydrophobicContact CH2-CG 4.4Å; W73-Y124 AromaticContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CG 4.24Å; W73-Y124 AromaticContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CE2 4.14Å; W73-A127 HydrophobicContact CB-CB 3.78Å; W73-W148 HydrophobicContact CB-CZ3 4.25Å; W73-W148 HydrophobicContact CE3-CE3 4.41Å; W73-W148 HydrophobicContact CE3-CH2 4.43Å; W73-W148 AromaticContact CE3-CZ3 3.9Å; W73-W148 HydrophobicContact CE3-CZ3 3.9Å
74I98.5Very high95.7Very high25 Ų2546.9 Ų46.913%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-103.4126.3-172.5-55.1-173.6000110S69 L118 V119 E120 C149 F150S69-I74 WeakPolarHBondContact OG-CD1 3.46Å; S69-I74 WeakPolarHBondContact OG-CG1 3.39Å; I74-L118 HydrophobicContact CG2-CB 3.98Å; I74-L118 HydrophobicContact CG2-CD2 4.4Å; I74-V119 WeakPolarHBondContact CA-O 3.45Å; I74-E120 HydrophobicContact CD1-CG 4.46Å; I74-E120 HydrophobicContact CG1-CB 3.98Å; I74-E120 HydrophobicContact CG1-CG 3.84Å; I74-C149 HydrophobicContact CB-CB 3.9Å; I74-C149 HydrophobicContact CG2-CB 3.61Å; I74-C149 WeakPolarHBondContact O-CB 3.23Å; I74-C149 PolarHBondContact O-N 2.97Å; I74-F150 HydrophobicContact CB-CE2 4.47Å; I74-F150 HydrophobicContact CD1-CE2 4.14Å
75L98.5Very high96.6Very high0 Ų048.9 Ų48.90%026%0.257CS..EExtended strand (participates in β ladder)trans-94.8139168.9-59.1-177.1000110F93 L118 V119 Y121 A127 A130 M131 V146 D147 W148L75-F93 HydrophobicContact CD1-CE1 4.45Å; L75-L118 WeakPolarHBondContact O-CA 3.45Å; L75-V119 PolarHBondContact N-O 3.03Å; L75-V119 PolarHBondContact O-N 2.98Å; L75-Y121 HydrophobicContact CD1-CD2 4.32Å; L75-Y121 HydrophobicContact CD1-CE2 3.94Å; L75-A127 HydrophobicContact CD1-CB 4.46Å; L75-A127 WeakPolarHBondContact CD1-O 3.41Å; L75-A127 HydrophobicContact CD2-CB 4.12Å; L75-A127 HydrophobicContact CG-CB 4.24Å; L75-A130 HydrophobicContact CD1-CB 3.86Å; L75-M131 HydrophobicContact CD1-CB 4.5Å; L75-M131 HydrophobicContact CD2-CB 4.4Å; L75-M131 HydrophobicContact CD2-CE 3.51Å; L75-V146 HydrophobicContact CB-CG1 4.16Å; L75-V146 HydrophobicContact CD1-CG1 3.8Å; L75-V146 HydrophobicContact CG-CG1 4.43Å; L75-D147 CarbonylContact C-O 3.55Å; L75-D147 WeakPolarHBondContact CA-O 3.38Å; L75-W148 HydrophobicContact CD2-CD2 4.3Å; L75-W148 HydrophobicContact CD2-CE3 3.7Å; L75-W148 HydrophobicContact CD2-CZ3 3.86Å
76F98.4Very high97.1Very high50 Ų5053 Ų5322%0.21927%0.268CS..EExtended strand (participates in β ladder)trans-99.5117.7170.5-174-114000108.3Y54 T78 Y116 L118 D147 C149Y54-F76 HydrophobicContact CD1-CE1 4.3Å; Y54-F76 AromaticContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CE1-CZ 4.23Å; F76-T78 HydrophobicContact CD1-CG2 3.57Å; F76-T78 HydrophobicContact CE1-CG2 3.08Å; F76-T78 HydrophobicContact CZ-CG2 3.72Å; F76-Y116 AromaticContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CE2 4.37Å; F76-Y116 HydrophobicContact CE2-CG 4.03Å; F76-Y116 HydrophobicContact CZ-CD2 4.3Å; F76-Y116 HydrophobicContact CZ-CG 4.24Å; F76-L118 HydrophobicContact CD2-CD2 3.52Å; F76-L118 HydrophobicContact CE2-CD2 4.19Å; F76-D147 PolarHBondContact N-O 3.44Å; F76-D147 PolarHBondContact O-N 2.77Å; F76-C149 HydrophobicContact CB-CB 3.98Å
77V98.2Very high97.2Very high0 Ų059 Ų590%030%0.295CS..EExtended strand (participates in β ladder)trans-110.9127.3-177.8-175.20000108.3V80 F93 Y116 T117 V119 I144 S145 V146V77-V80 HydrophobicContact CG1-CG2 4.05Å; V77-F93 HydrophobicContact CB-CZ 4.43Å; V77-F93 HydrophobicContact CG1-CZ 4.1Å; V77-F93 HydrophobicContact CG2-CE1 3.87Å; V77-F93 HydrophobicContact CG2-CE2 4.38Å; V77-F93 HydrophobicContact CG2-CZ 3.48Å; V77-F93 VanDerWaalsContact CG2-CZ 3.48Å; V77-Y116 CarbonylContact O-C 3.6Å; V77-Y116 WeakPolarHBondContact O-CA 3.33Å; V77-Y116 VanDerWaalsContact O-CB 3.27Å; V77-Y116 WeakPolarHBondContact O-CB 3.3Å; V77-T117 HydrophobicContact CB-CG2 3.63Å; V77-T117 HydrophobicContact CG1-CG2 4.12Å; V77-T117 HydrophobicContact CG2-CG2 4.04Å; V77-T117 PolarHBondContact N-O 3.26Å; V77-T117 PolarHBondContact O-N 3.28Å; V77-V119 HydrophobicContact CG2-CG2 4.22Å; V77-I144 HydrophobicContact CG1-CB 4.2Å; V77-I144 HydrophobicContact CG1-CD1 4.16Å; V77-S145 CarbonylContact C-O 3.55Å; V77-S145 VanDerWaalsContact CA-O 3.3Å; V77-S145 WeakPolarHBondContact CA-O 3.3Å; V77-V146 HydrophobicContact CG1-CG2 4.23Å; V77-V146 HydrophobicContact CG2-CG1 4.31Å; V77-V146 HydrophobicContact CG2-CG2 4.31Å
78T98Very high97.3Very high24 Ų2457.7 Ų57.715%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-122.6163.7178.465.40000111.3Y54 F76 V80 I144 S145Y54-T78 HydrophobicContact CG-CG2 4.43Å; F76-T78 HydrophobicContact CD1-CG2 3.57Å; F76-T78 HydrophobicContact CE1-CG2 3.08Å; F76-T78 HydrophobicContact CZ-CG2 3.72Å; T78-V80 VanDerWaalsContact C-N 3.32Å; T78-I144 CarbonylContact O-C 3.48Å; T78-I144 VanDerWaalsContact O-CA 3.28Å; T78-I144 WeakPolarHBondContact O-CA 3.37Å; T78-S145 PolarHBondContact N-O 2.97Å; T78-S145 PolarHBondContact O-N 2.75Å
79G96.5Very high97.4Very high24 Ų2452.6 Ų52.625%0.24727%0.271CS..  trans76.622-176.500000112.9G115 Q142G79-G115 PolarHBondContact N-O 2.87Å; G79-Q142 VanDerWaalsContact C-NE2 3.28Å; G79-Q142 PolarHBondContact O-NE2 3.5Å
80V97.7Very high97.5Very high4 Ų455.6 Ų55.62%0.02428%0.283CS..  trans-67.1133.7175.6-175.70000109.6V77 T78 A84 I89 L113 G115 T117 L139V77-V80 HydrophobicContact CG1-CG2 4.05Å; T78-V80 VanDerWaalsContact C-N 3.32Å; V80-A84 HydrophobicContact CG1-CB 3.88Å; V80-I89 HydrophobicContact CG1-CD1 4.04Å; V80-L113 HydrophobicContact CG1-CD1 3.69Å; V80-G115 PolarHBondContact N-O 2.87Å; V80-G115 VanDerWaalsContact N-O 3.12Å; V80-T117 HydrophobicContact CG2-CG2 4.01Å; V80-L139 HydrophobicContact CG1-CD2 4.02Å
81H97.8Very high97.6Very high42 Ų4254.3 Ų54.319%0.19427%0.271CS..  trans-59.8140.6177.8-174.1-92.2000111.3E83 A84 M140H81-E83 PolarHBondContact ND1-N 3.12Å; H81-E83 PolarHBondContact O-N 2.91Å; H81-A84 HydrophobicContact CB-CB 4.28Å; H81-A84 WeakPolarHBondContact O-CB 3.42Å; H81-A84 PolarHBondContact O-N 3.39Å; H81-M140 HydrophobicContact CB-CB 3.94Å; H81-M140 HydrophobicContact CB-CG 4.45Å; H81-M140 HydrophobicContact CB-SD 4.03Å
82E97.1Very high97.7Very high110 Ų11050.4 Ų50.451%0.51425%0.252SS..THydrogen-bonded Turntrans-66.8-22.1-170.472.7-176.1148.500114.2Y112 L113E82-Y112 HydrophobicContact CG-CD1 4.29Å; E82-L113 PolarHBondContact O-N 3.11Å
83E97Very high97.7Very high113 Ų11350.4 Ų50.453%0.52825%0.252SS..THydrogen-bonded Turntrans-103.36.2176-50.5-167155.300113.8H81 Y112H81-E83 PolarHBondContact ND1-N 3.12Å; H81-E83 PolarHBondContact O-N 2.91Å; E83-Y112 HydrophobicContact CG-CD1 4.11Å; E83-Y112 HydrophobicContact CG-CE1 3.88Å
84A97.7Very high97.7Very high5 Ų550.9 Ų50.94%0.04126%0.262CS..  trans-63154.3174.800000110.9V80 H81 L113 L139 M140V80-A84 HydrophobicContact CG1-CB 3.88Å; H81-A84 HydrophobicContact CB-CB 4.28Å; H81-A84 WeakPolarHBondContact O-CB 3.42Å; H81-A84 PolarHBondContact O-N 3.39Å; A84-L113 HydrophobicContact CB-CD1 3.87Å; A84-L113 VanDerWaalsContact O-CD1 3.23Å; A84-L113 WeakPolarHBondContact O-CD1 3.48Å; A84-L113 WeakPolarHBondContact O-CG 3.35Å; A84-L139 HydrophobicContact CB-CD2 4.28Å; A84-M140 VanDerWaalsContact CA-SD 3.55Å; A84-M140 HydrophobicContact CB-SD 3.73Å
85T97.5Very high97.7Very high63 Ų6356.1 Ų56.139%0.38729%0.286SS..  trans-111.5167.3177.7690000111E87 D88 I89T85-E87 PolarHBondContact O-N 2.94Å; T85-E87 PolarHBondContact OG1-N 3.49Å; T85-D88 WeakPolarHBondContact CB-OD2 3.47Å; T85-D88 PolarHBondContact N-OD2 2.81Å; T85-D88 PolarHBondContact O-N 2.91Å; T85-D88 PolarHBondContact OG1-N 3.25Å; T85-D88 PolarHBondContact OG1-OD2 3.48Å; T85-I89 PolarHBondContact O-N 3.27Å
86E97.4Very high97.6Very high116 Ų11659 Ų5954%0.54230%0.297SS..Hα-helixtrans-61.9-32172.2-168.6178.2152.100111.8I89 H90 I102E86-I89 PolarHBondContact O-N 3.17Å; E86-H90 WeakPolarHBondContact O-CB 3.44Å; E86-H90 PolarHBondContact O-N 2.93Å; E86-I102 HydrophobicContact CG-CB 4.38Å; E86-I102 HydrophobicContact CG-CD1 4.33Å; E86-I102 HydrophobicContact CG-CG2 4.19Å
87E97.7Very high97.6Very high139 Ų13957.5 Ų57.565%0.6530%0.296SS*.Hα-helixtrans-62.5-45.2174.4-173.5176.117500111.2T85 I89 H90 D91T85-E87 PolarHBondContact O-N 2.94Å; T85-E87 PolarHBondContact OG1-N 3.49Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 2.94Å; E87-H90 PolarHBondContact O-N 3.36Å; E87-D91 WeakPolarHBondContact O-CB 3.39Å; E87-D91 PolarHBondContact O-N 3.38Å
88D97.5Very high97.5Very high57 Ų5763 Ų6331%0.30532%0.322SS..Hα-helixtrans-60.8-38.8177.3-59.3-65.7000112.4T85 K92T85-D88 WeakPolarHBondContact CB-OD2 3.47Å; T85-D88 PolarHBondContact N-OD2 2.81Å; T85-D88 PolarHBondContact O-N 2.91Å; T85-D88 PolarHBondContact OG1-N 3.25Å; T85-D88 PolarHBondContact OG1-OD2 3.48Å; D88-K92 WeakPolarHBondContact O-CB 3.36Å; D88-K92 PolarHBondContact O-N 3.48Å
89I98.1Very high97.5Very high0 Ų063.2 Ų63.20%032%0.322CS..Hα-helixtrans-69.4-48175.1-60.4-54.3000110.4V80 T85 E86 E87 D91 K92 F93 I102 L104 T117 V119 L139V80-I89 HydrophobicContact CG1-CD1 4.04Å; T85-I89 PolarHBondContact O-N 3.27Å; E86-I89 PolarHBondContact O-N 3.17Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 2.94Å; I89-D91 PolarHBondContact O-N 3.19Å; I89-K92 PolarHBondContact O-N 3.33Å; I89-F93 HydrophobicContact CG2-CD2 3.91Å; I89-F93 HydrophobicContact CG2-CE2 4.3Å; I89-F93 WeakPolarHBondContact O-CB 3.21Å; I89-F93 VanDerWaalsContact O-CD2 3.27Å; I89-F93 WeakPolarHBondContact O-CD2 3.28Å; I89-F93 PolarHBondContact O-N 3.38Å; I89-I102 HydrophobicContact CG2-CD1 4.27Å; I89-I102 HydrophobicContact CG2-CG2 4.06Å; I89-L104 HydrophobicContact CB-CD1 4.41Å; I89-L104 HydrophobicContact CD1-CD1 4.37Å; I89-L104 HydrophobicContact CG1-CD1 3.4Å; I89-T117 HydrophobicContact CD1-CG2 4.18Å; I89-T117 HydrophobicContact CG1-CG2 4.31Å; I89-T117 HydrophobicContact CG2-CG2 4.1Å; I89-V119 HydrophobicContact CG2-CG2 3.95Å; I89-L139 HydrophobicContact CD1-CD2 3.58Å
90H98.3Very high97.6Very high88 Ų8866.4 Ų66.441%0.40733%0.329SS..Hα-helixtrans-57.5-49.7179.8-179.9-80.4000110.9E86 E87 K92 F93 A94 I102E86-H90 WeakPolarHBondContact O-CB 3.44Å; E86-H90 PolarHBondContact O-N 2.93Å; E87-H90 PolarHBondContact O-N 3.36Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 3.02Å; H90-F93 PolarHBondContact O-N 3.24Å; H90-A94 WeakPolarHBondContact O-CB 3.46Å; H90-A94 PolarHBondContact O-N 3.28Å; H90-I102 HydrophobicContact CB-CD1 3.96Å
91D97.3Very high97.6Very high105 Ų10569.6 Ų69.656%0.56135%0.346SS*.Hα-helixtrans-60.4-39.4-178.9-76.2-4.1000112.6E87 I89E87-D91 WeakPolarHBondContact O-CB 3.39Å; E87-D91 PolarHBondContact O-N 3.38Å; I89-D91 PolarHBondContact O-N 3.19Å
92K97Very high97.7Very high64 Ų6468.4 Ų68.428%0.27834%0.341SS..Hα-helixtrans-72.3-35.8179.2-163.778-178.6-155.80112.6D88 I89 H90 L134 D138 L139D88-K92 WeakPolarHBondContact O-CB 3.36Å; D88-K92 PolarHBondContact O-N 3.48Å; I89-K92 PolarHBondContact O-N 3.33Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 3.02Å; K92-L134 HydrophobicContact CD-CD2 4.26Å; K92-L134 HydrophobicContact CG-CD1 4.36Å; K92-L134 HydrophobicContact CG-CD2 3.77Å; K92-D138 PolarHBondContact NZ-O 2.69Å; K92-L139 HydrophobicContact CB-CD1 4.29Å; K92-L139 HydrophobicContact CD-CD1 4.47Å; K92-L139 HydrophobicContact CG-CD1 4.3Å
93F98.3Very high97.7Very high0 Ų067.2 Ų67.20%034%0.335CS..Hα-helixtrans-95.1-22.6-173.5-80.4-100.5000113.4L75 V77 I89 H90 E95 Y96 I99 V119 Y121 A130 L134 I144 V146L75-F93 HydrophobicContact CD1-CE1 4.45Å; V77-F93 HydrophobicContact CB-CZ 4.43Å; V77-F93 HydrophobicContact CG1-CZ 4.1Å; V77-F93 HydrophobicContact CG2-CE1 3.87Å; V77-F93 HydrophobicContact CG2-CE2 4.38Å; V77-F93 HydrophobicContact CG2-CZ 3.48Å; V77-F93 VanDerWaalsContact CG2-CZ 3.48Å; I89-F93 HydrophobicContact CG2-CD2 3.91Å; I89-F93 HydrophobicContact CG2-CE2 4.3Å; I89-F93 WeakPolarHBondContact O-CB 3.21Å; I89-F93 VanDerWaalsContact O-CD2 3.27Å; I89-F93 WeakPolarHBondContact O-CD2 3.28Å; I89-F93 PolarHBondContact O-N 3.38Å; H90-F93 PolarHBondContact O-N 3.24Å; F93-E95 PolarHBondContact O-N 3.47Å; F93-Y96 PolarHBondContact O-N 2.92Å; F93-I99 HydrophobicContact CB-CD1 3.79Å; F93-V119 HydrophobicContact CB-CG1 4.28Å; F93-V119 HydrophobicContact CD1-CB 4.22Å; F93-V119 HydrophobicContact CD1-CG1 3.92Å; F93-V119 HydrophobicContact CD1-CG2 4.07Å; F93-V119 HydrophobicContact CE1-CB 4.48Å; F93-V119 HydrophobicContact CE1-CG2 4.2Å; F93-V119 HydrophobicContact CG-CG1 4.26Å; F93-V119 HydrophobicContact CG-CG2 4.27Å; F93-Y121 WeakPolarHBondContact CB-OH 3.36Å; F93-Y121 HydrophobicContact CD1-CE2 4.41Å; F93-Y121 WeakPolarHBondContact CD1-OH 3.48Å; F93-Y121 PolarHBondContact O-OH 3.18Å; F93-A130 HydrophobicContact CD1-CB 4.42Å; F93-L134 HydrophobicContact CB-CD1 4.49Å; F93-L134 HydrophobicContact CD1-CD1 3.54Å; F93-L134 HydrophobicContact CD2-CD1 3.78Å; F93-L134 HydrophobicContact CE1-CD1 3.52Å; F93-L134 HydrophobicContact CE2-CD1 3.77Å; F93-L134 HydrophobicContact CG-CD1 3.67Å; F93-L134 HydrophobicContact CZ-CD1 3.63Å; F93-I144 HydrophobicContact CE2-CD1 4.22Å; F93-I144 HydrophobicContact CZ-CD1 4.26Å; F93-V146 HydrophobicContact CE1-CG1 4.39Å; F93-V146 HydrophobicContact CZ-CG2 4.09Å
94A98Very high97.7Very high40 Ų4063.4 Ų63.433%0.33132%0.318SS..G310 helixtrans-67.5-18.4-174.900000113.6H90 Y96 I99H90-A94 WeakPolarHBondContact O-CB 3.46Å; H90-A94 PolarHBondContact O-N 3.28Å; A94-Y96 PolarHBondContact O-N 3.44Å; A94-I99 HydrophobicContact CB-CD1 4.19Å
95E97.1Very high97.7Very high135 Ų13566.3 Ų66.363%0.63133%0.333SS*.G310 helixtrans-67.1-17.9177.770.2178.5163.600113.8F93F93-E95 PolarHBondContact O-N 3.47Å
96Y98.1Very high97.7Very high59 Ų5967.8 Ų67.823%0.23134%0.338CS..G310 helixtrans-99.4-13.8-174.4-60-83.2000114.7F93 A94 E126 A129 A130 L134F93-Y96 PolarHBondContact O-N 2.92Å; A94-Y96 PolarHBondContact O-N 3.44Å; Y96-E126 WeakPolarHBondContact O-CB 3.18Å; Y96-E126 WeakPolarHBondContact O-CG 3.18Å; Y96-A129 VanDerWaalsContact CD1-C 3.47Å; Y96-A129 HydrophobicContact CD1-CB 4.07Å; Y96-A129 WeakPolarHBondContact CD1-O 3.27Å; Y96-A129 WeakPolarHBondContact CE1-O 3.08Å; Y96-A130 HydrophobicContact CD1-CB 4.33Å; Y96-A130 HydrophobicContact CD2-CB 3.87Å; Y96-A130 VanDerWaalsContact CG-CA 3.41Å; Y96-A130 HydrophobicContact CG-CB 3.7Å; Y96-L134 HydrophobicContact CD2-CD1 3.96Å; Y96-L134 HydrophobicContact CD2-CG 4.3Å; Y96-L134 HydrophobicContact CE2-CD1 3.52Å; Y96-L134 HydrophobicContact CE2-CD2 3.79Å; Y96-L134 HydrophobicContact CE2-CG 3.45Å; Y96-L134 VanDerWaalsContact CE2-CG 3.45Å
97G97.3Very high97.7Very high19 Ų1963.7 Ų63.720%0.19632%0.32CS..SBendtrans163.3178.9-176.800000113.9I99 E126G97-I99 PolarHBondContact O-N 3.3Å; G97-E126 WeakPolarHBondContact CA-OE1 3.43Å
98E97.2Very high97.6Very high115 Ų11568.6 Ų68.654%0.53733%0.332SS..  trans-75.3115.2176.1-171.1-177.1141.700110.6K100 E126E98-K100 PolarHBondContact O-N 2.94Å; E98-K100 IonicContact OE1-NZ 3.86Å; E98-K100 PolarHBondContact OE1-NZ 2.8Å; E98-K100 IonicContact OE2-NZ 2.72Å; E98-E126 PolarHBondContact N-OE1 3.18Å
99I98.2Very high97.5Very high30 Ų3076.1 Ų76.115%0.15436%0.356CS..EExtended strand (participates in β ladder)trans-76.9119.5176-58.5173.2000108.9F93 A94 G97 I102 V119 Y121F93-I99 HydrophobicContact CB-CD1 3.79Å; A94-I99 HydrophobicContact CB-CD1 4.19Å; G97-I99 PolarHBondContact O-N 3.3Å; I99-I102 HydrophobicContact CD1-CD1 4.21Å; I99-I102 HydrophobicContact CG2-CD1 3.97Å; I99-I102 HydrophobicContact CG2-CG1 3.52Å; I99-V119 HydrophobicContact CG1-CG1 4.44Å; I99-V119 HydrophobicContact CG2-CG1 4.21Å; I99-Y121 HydrophobicContact CG1-CD1 4.45Å; I99-Y121 HydrophobicContact CG1-CE1 3.83Å
100K98.1Very high97.4Very high91 Ų9179.5 Ų79.540%0.39638%0.377SS..EExtended strand (participates in β ladder)trans-84-36.5176.6-64.7-61.9178.8-173.70112.4E98 E120 E122E98-K100 PolarHBondContact O-N 2.94Å; E98-K100 IonicContact OE1-NZ 3.86Å; E98-K100 PolarHBondContact OE1-NZ 2.8Å; E98-K100 IonicContact OE2-NZ 2.72Å; K100-E120 HydrophobicContact CB-CB 4.43Å; K100-E120 HydrophobicContact CB-CG 4.21Å; K100-E120 PolarHBondContact N-O 3.31Å; K100-E122 WeakPolarHBondContact CE-OE2 3.19Å; K100-E122 HydrophobicContact CG-CB 4.42Å; K100-E122 IonicContact NZ-OE2 2.72Å; K100-E122 PolarHBondContact NZ-OE2 3.22Å
101N97.9Very high97.3Very high70 Ų7077.6 Ų77.637%0.37438%0.382SS..EExtended strand (participates in β ladder)trans-156.9148.4-177.7-158.7-5.8000111.8H103 E120N101-H103 PolarHBondContact ND2-NE2 3.4Å; N101-H103 PolarHBondContact OD1-CD2 3.12Å; N101-E120 HydrophobicContact CB-CB 4.07Å; N101-E120 PolarHBondContact O-N 3.44Å
102I98.3Very high97.3Very high18 Ų1877.8 Ų77.89%0.09238%0.375CS..EExtended strand (participates in β ladder)trans-132.4125.1173.2-55.8179.4000108.8E86 I89 H90 I99 L118E86-I102 HydrophobicContact CG-CB 4.38Å; E86-I102 HydrophobicContact CG-CD1 4.33Å; E86-I102 HydrophobicContact CG-CG2 4.19Å; I89-I102 HydrophobicContact CG2-CD1 4.27Å; I89-I102 HydrophobicContact CG2-CG2 4.06Å; H90-I102 HydrophobicContact CB-CD1 3.96Å; I99-I102 HydrophobicContact CD1-CD1 4.21Å; I99-I102 HydrophobicContact CG2-CD1 3.97Å; I99-I102 HydrophobicContact CG2-CG1 3.52Å; I102-L118 CarbonylContact C-O 3.57Å; I102-L118 VanDerWaalsContact CA-O 3.3Å; I102-L118 WeakPolarHBondContact CA-O 3.34Å
103H98.1Very high97.3Very high85 Ų8575.5 Ų75.539%0.39437%0.366SS..EExtended strand (participates in β ladder)trans-112.298.3171.3-69.9-175.7000111.3N101 N105 T117 L118N101-H103 PolarHBondContact ND2-NE2 3.4Å; N101-H103 PolarHBondContact OD1-CD2 3.12Å; H103-N105 PolarHBondContact O-N 2.85Å; H103-T117 VanDerWaalsContact O-CA 3.28Å; H103-T117 WeakPolarHBondContact O-CA 3.36Å; H103-T117 PolarHBondContact O-OG1 3.43Å; H103-L118 HydrophobicContact CB-CB 4.07Å; H103-L118 HydrophobicContact CB-CD1 4.37Å; H103-L118 HydrophobicContact CB-CG 4.29Å; H103-L118 PolarHBondContact N-O 3.12Å; H103-L118 PolarHBondContact O-N 3.34Å; H103-L118 VanDerWaalsContact O-N 3.14Å
104L97.4Very high97.2Very high32 Ų3277.9 Ų77.917%0.16838%0.376CS..EExtended strand (participates in β ladder)trans-100.280.4-179.8-167.3112000110.9I89 L113I89-L104 HydrophobicContact CB-CD1 4.41Å; I89-L104 HydrophobicContact CD1-CD1 4.37Å; I89-L104 HydrophobicContact CG1-CD1 3.4Å; L104-L113 HydrophobicContact CD1-CD1 3.78Å; L104-L113 HydrophobicContact CD2-CD1 3.74Å; L104-L113 HydrophobicContact CD2-CD2 3.23Å; L104-L113 HydrophobicContact CD2-CG 4.12Å; L104-L113 HydrophobicContact CG-CD1 3.76Å; L104-L113 HydrophobicContact CG-CD2 3.8Å; L104-L113 HydrophobicContact CG-CG 4.42Å
105N97.5Very high97.2Very high66 Ų6676.8 Ų76.835%0.35337%0.368SS..EExtended strand (participates in β ladder)trans-74.9140.1-169.2-70.9-22.3000113.4H103 K114 Y116H103-N105 PolarHBondContact O-N 2.85Å; N105-K114 VanDerWaalsContact O-CB 3.3Å; N105-K114 WeakPolarHBondContact O-CB 3.42Å; N105-K114 PolarHBondContact O-N 2.92Å; N105-Y116 HydrophobicContact CB-CE2 4.37Å; N105-Y116 PolarHBondContact ND2-OH 3.22Å
106L97.4Very high97.2Very high94 Ų9472.9 Ų72.949%0.49235%0.348SS..EExtended strand (participates in β ladder)trans-90.6146.8178.8-54.1-177.9000113.2R108 Y112 L113L106-R108 PolarHBondContact O-N 3.07Å; L106-Y112 CarbonylContact C-O 3.5Å; L106-Y112 WeakPolarHBondContact CA-O 3.02Å; L106-L113 HydrophobicContact CD2-CD2 3.44Å; L106-L113 VanDerWaalsContact CD2-CD2 3.44Å
107D96.6Very high97.3Very high30 Ų3070.1 Ų70.116%0.1634%0.337CS..PPolyproline II helixtrans-66.6117.3161.9-173.9-70.5000109.8R109 T110 G111 Y112 K114D107-R109 PolarHBondContact O-N 2.82Å; D107-R109 WeakPolarHBondContact OD1-CA 3.49Å; D107-R109 WeakPolarHBondContact OD1-CB 3.32Å; D107-R109 PolarHBondContact OD1-N 2.96Å; D107-T110 PolarHBondContact O-N 2.83Å; D107-T110 PolarHBondContact OD1-N 2.92Å; D107-T110 VanDerWaalsContact OD1-N 3.13Å; D107-G111 WeakPolarHBondContact O-CA 3.31Å; D107-G111 PolarHBondContact O-N 3.09Å; D107-Y112 PolarHBondContact N-O 2.73Å; D107-K114 HydrophobicContact CB-CD 4.01Å; D107-K114 IonicContact OD2-NZ 3.17Å; D107-K114 PolarHBondContact OD2-NZ 2.93Å
108R96.3Very high97.3Very high243 Ų24371 Ų7192%0.91734%0.337SS*.THydrogen-bonded Turntrans-65.9-12.6-172.2-57.6-58.9-63.6-139-2.3114.3L106L106-R108 PolarHBondContact O-N 3.07Å
109R95.8Very high97.4Very high214 Ų21465.5 Ų65.581%0.80831%0.312SS*.THydrogen-bonded Turntrans-99.9-44.6179.6179.3178.561.4126.13111.9D107D107-R109 PolarHBondContact O-N 2.82Å; D107-R109 WeakPolarHBondContact OD1-CA 3.49Å; D107-R109 WeakPolarHBondContact OD1-CB 3.32Å; D107-R109 PolarHBondContact OD1-N 2.96Å
110T96.2Very high97.4Very high71 Ų7165 Ų6544%0.43631%0.309SS..THydrogen-bonded Turntrans-93.3-26.5-174.365.40000113.1D107 Y112D107-T110 PolarHBondContact O-N 2.83Å; D107-T110 PolarHBondContact OD1-N 2.92Å; D107-T110 VanDerWaalsContact OD1-N 3.13Å; T110-Y112 VanDerWaalsContact C-N 3.27Å; T110-Y112 PolarHBondContact OG1-N 2.9Å
111G95.6Very high97.4Very high49 Ų4960.6 Ų60.651%0.50529%0.29SS..SBendtrans84.2-7.4-174.700000114.7D107D107-G111 WeakPolarHBondContact O-CA 3.31Å; D107-G111 PolarHBondContact O-N 3.09Å
112Y96.5Very high97.4Very high108 Ų10861.7 Ų61.742%0.42429%0.292SS..SBendtrans-76.5173.2171.4-70.2-76.4000111.6E82 E83 L106 D107 T110E82-Y112 HydrophobicContact CG-CD1 4.29Å; E83-Y112 HydrophobicContact CG-CD1 4.11Å; E83-Y112 HydrophobicContact CG-CE1 3.88Å; L106-Y112 CarbonylContact C-O 3.5Å; L106-Y112 WeakPolarHBondContact CA-O 3.02Å; D107-Y112 PolarHBondContact N-O 2.73Å; T110-Y112 VanDerWaalsContact C-N 3.27Å; T110-Y112 PolarHBondContact OG1-N 2.9Å
113L97.1Very high97.4Very high16 Ų1663.5 Ų63.58%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-63.3147.2174.8-58.5-162.2000111.8V80 E82 A84 L104 L106 G115V80-L113 HydrophobicContact CG1-CD1 3.69Å; E82-L113 PolarHBondContact O-N 3.11Å; A84-L113 HydrophobicContact CB-CD1 3.87Å; A84-L113 VanDerWaalsContact O-CD1 3.23Å; A84-L113 WeakPolarHBondContact O-CD1 3.48Å; A84-L113 WeakPolarHBondContact O-CG 3.35Å; L104-L113 HydrophobicContact CD1-CD1 3.78Å; L104-L113 HydrophobicContact CD2-CD1 3.74Å; L104-L113 HydrophobicContact CD2-CD2 3.23Å; L104-L113 HydrophobicContact CD2-CG 4.12Å; L104-L113 HydrophobicContact CG-CD1 3.76Å; L104-L113 HydrophobicContact CG-CD2 3.8Å; L104-L113 HydrophobicContact CG-CG 4.42Å; L106-L113 HydrophobicContact CD2-CD2 3.44Å; L106-L113 VanDerWaalsContact CD2-CD2 3.44Å; L113-G115 PolarHBondContact O-N 2.62Å
114K97Very high97.4Very high51 Ų5163.6 Ų63.622%0.22230%0.302CS..EExtended strand (participates in β ladder)trans-72.6-14.1177.6-166.357.9-172.9174.40113E52 Y54 N105 D107 Y116E52-K114 IonicContact OE1-NZ 3.04Å; E52-K114 PolarHBondContact OE1-NZ 3.44Å; E52-K114 WeakPolarHBondContact OE2-CE 3.33Å; E52-K114 IonicContact OE2-NZ 2.9Å; E52-K114 PolarHBondContact OE2-NZ 3.49Å; Y54-K114 PolarHBondContact OH-O 2.99Å; N105-K114 VanDerWaalsContact O-CB 3.3Å; N105-K114 WeakPolarHBondContact O-CB 3.42Å; N105-K114 PolarHBondContact O-N 2.92Å; D107-K114 HydrophobicContact CB-CD 4.01Å; D107-K114 IonicContact OD2-NZ 3.17Å; D107-K114 PolarHBondContact OD2-NZ 2.93Å; K114-Y116 HydrophobicContact CB-CD1 4.06Å; K114-Y116 HydrophobicContact CB-CE1 3.85Å; K114-Y116 HydrophobicContact CG-CD1 3.93Å; K114-Y116 HydrophobicContact CG-CE1 3.5Å
115G97Very high97.4Very high16 Ų1669.9 Ų69.917%0.16533%0.328CS..EExtended strand (participates in β ladder)trans98.67.317900000114.9G79 V80 L113G79-G115 PolarHBondContact N-O 2.87Å; V80-G115 PolarHBondContact N-O 2.87Å; V80-G115 VanDerWaalsContact N-O 3.12Å; L113-G115 PolarHBondContact O-N 2.62Å
116Y98.4Very high97.4Very high54 Ų5468.7 Ų68.721%0.21232%0.32CS..EExtended strand (participates in β ladder)trans-138.2157.1173.272.8-87.8000111.6Y54 F76 V77 N105 K114Y54-Y116 AromaticContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CE1 4.5Å; Y54-Y116 HydrophobicContact CE1-CG 4.47Å; Y54-Y116 AromaticContact CZ-CD1 3.9Å; Y54-Y116 VanDerWaalsContact OH-CD1 3.26Å; Y54-Y116 WeakPolarHBondContact OH-CD1 3.41Å; F76-Y116 AromaticContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CE2 4.37Å; F76-Y116 HydrophobicContact CE2-CG 4.03Å; F76-Y116 HydrophobicContact CZ-CD2 4.3Å; F76-Y116 HydrophobicContact CZ-CG 4.24Å; V77-Y116 CarbonylContact O-C 3.6Å; V77-Y116 WeakPolarHBondContact O-CA 3.33Å; V77-Y116 VanDerWaalsContact O-CB 3.27Å; V77-Y116 WeakPolarHBondContact O-CB 3.3Å; N105-Y116 HydrophobicContact CB-CE2 4.37Å; N105-Y116 PolarHBondContact ND2-OH 3.22Å; K114-Y116 HydrophobicContact CB-CD1 4.06Å; K114-Y116 HydrophobicContact CB-CE1 3.85Å; K114-Y116 HydrophobicContact CG-CD1 3.93Å; K114-Y116 HydrophobicContact CG-CE1 3.5Å
117T98.4Very high97.5Very high0 Ų064.2 Ų64.20%030%0.297CS..EExtended strand (participates in β ladder)trans-140.6154.3171.3-172.80000111.1V77 V80 I89 H103 V119V77-T117 HydrophobicContact CB-CG2 3.63Å; V77-T117 HydrophobicContact CG1-CG2 4.12Å; V77-T117 HydrophobicContact CG2-CG2 4.04Å; V77-T117 PolarHBondContact N-O 3.26Å; V77-T117 PolarHBondContact O-N 3.28Å; V80-T117 HydrophobicContact CG2-CG2 4.01Å; I89-T117 HydrophobicContact CD1-CG2 4.18Å; I89-T117 HydrophobicContact CG1-CG2 4.31Å; I89-T117 HydrophobicContact CG2-CG2 4.1Å; H103-T117 VanDerWaalsContact O-CA 3.28Å; H103-T117 WeakPolarHBondContact O-CA 3.36Å; H103-T117 PolarHBondContact O-OG1 3.43Å; T117-V119 HydrophobicContact CG2-CG2 4.21Å
118L98.7Very high97.5Very high37 Ų3765.7 Ų65.719%0.19430%0.303CS..EExtended strand (participates in β ladder)trans-105.4129.9169.3-52.5-179.4000108.7I74 L75 F76 I102 H103I74-L118 HydrophobicContact CG2-CB 3.98Å; I74-L118 HydrophobicContact CG2-CD2 4.4Å; L75-L118 WeakPolarHBondContact O-CA 3.45Å; F76-L118 HydrophobicContact CD2-CD2 3.52Å; F76-L118 HydrophobicContact CE2-CD2 4.19Å; I102-L118 CarbonylContact C-O 3.57Å; I102-L118 VanDerWaalsContact CA-O 3.3Å; I102-L118 WeakPolarHBondContact CA-O 3.34Å; H103-L118 HydrophobicContact CB-CB 4.07Å; H103-L118 HydrophobicContact CB-CD1 4.37Å; H103-L118 HydrophobicContact CB-CG 4.29Å; H103-L118 PolarHBondContact N-O 3.12Å; H103-L118 PolarHBondContact O-N 3.34Å; H103-L118 VanDerWaalsContact O-N 3.14Å
119V98.6Very high97.6Very high0 Ų056 Ų560%027%0.274CS..EExtended strand (participates in β ladder)trans-121.6122.5176.5-177.10000108.7I74 L75 V77 I89 F93 I99 T117 Y121I74-V119 WeakPolarHBondContact CA-O 3.45Å; L75-V119 PolarHBondContact N-O 3.03Å; L75-V119 PolarHBondContact O-N 2.98Å; V77-V119 HydrophobicContact CG2-CG2 4.22Å; I89-V119 HydrophobicContact CG2-CG2 3.95Å; F93-V119 HydrophobicContact CB-CG1 4.28Å; F93-V119 HydrophobicContact CD1-CB 4.22Å; F93-V119 HydrophobicContact CD1-CG1 3.92Å; F93-V119 HydrophobicContact CD1-CG2 4.07Å; F93-V119 HydrophobicContact CE1-CB 4.48Å; F93-V119 HydrophobicContact CE1-CG2 4.2Å; F93-V119 HydrophobicContact CG-CG1 4.26Å; F93-V119 HydrophobicContact CG-CG2 4.27Å; I99-V119 HydrophobicContact CG1-CG1 4.44Å; I99-V119 HydrophobicContact CG2-CG1 4.21Å; T117-V119 HydrophobicContact CG2-CG2 4.21Å; V119-Y121 HydrophobicContact CG1-CD2 4.47Å; V119-Y121 HydrophobicContact CG1-CE2 3.95Å
120E98.7Very high97.7Very high19 Ų1945.8 Ų45.89%0.08924%0.236CC..EExtended strand (participates in β ladder)trans-106.6127.1179.9-173.5166.8-156.900111.4G72 W73 I74 K100 N101G72-E120 VanDerWaalsContact CA-OE1 3.28Å; G72-E120 WeakPolarHBondContact CA-OE1 3.33Å; G72-E120 PolarHBondContact N-OE1 2.99Å; W73-E120 WeakPolarHBondContact O-CA 3.44Å; I74-E120 HydrophobicContact CD1-CG 4.46Å; I74-E120 HydrophobicContact CG1-CB 3.98Å; I74-E120 HydrophobicContact CG1-CG 3.84Å; K100-E120 HydrophobicContact CB-CB 4.43Å; K100-E120 HydrophobicContact CB-CG 4.21Å; K100-E120 PolarHBondContact N-O 3.31Å; N101-E120 HydrophobicContact CB-CB 4.07Å; N101-E120 PolarHBondContact O-N 3.44Å
121Y98.8Very high97.8Very high0 Ų043.4 Ų43.40%022%0.22CC..EExtended strand (participates in β ladder)trans-108.8159170.3-68.6-77.9000111.5G72 W73 L75 F93 I99 V119 E126 A127 A130G72-Y121 CarbonylContact C-O 3.52Å; G72-Y121 WeakPolarHBondContact CA-O 3.33Å; W73-Y121 PolarHBondContact N-O 2.95Å; W73-Y121 PolarHBondContact O-N 2.79Å; L75-Y121 HydrophobicContact CD1-CD2 4.32Å; L75-Y121 HydrophobicContact CD1-CE2 3.94Å; F93-Y121 WeakPolarHBondContact CB-OH 3.36Å; F93-Y121 HydrophobicContact CD1-CE2 4.41Å; F93-Y121 WeakPolarHBondContact CD1-OH 3.48Å; F93-Y121 PolarHBondContact O-OH 3.18Å; I99-Y121 HydrophobicContact CG1-CD1 4.45Å; I99-Y121 HydrophobicContact CG1-CE1 3.83Å; V119-Y121 HydrophobicContact CG1-CD2 4.47Å; V119-Y121 HydrophobicContact CG1-CE2 3.95Å; Y121-E126 HydrophobicContact CD1-CB 3.92Å; Y121-E126 HydrophobicContact CG-CB 3.97Å; Y121-A127 HydrophobicContact CD2-CB 3.84Å; Y121-A127 HydrophobicContact CG-CB 4.43Å; Y121-A130 HydrophobicContact CE2-CB 3.56Å; Y121-A130 WeakPolarHBondContact OH-CB 3.35Å
122E97.4Very high97.9Very high92 Ų9247.7 Ų47.743%0.4323%0.227SC..SBendtrans-66.1-46.5175.5-167.7166.4158.300112.1K100K100-E122 WeakPolarHBondContact CE-OE2 3.19Å; K100-E122 HydrophobicContact CG-CB 4.42Å; K100-E122 IonicContact NZ-OE2 2.72Å; K100-E122 PolarHBondContact NZ-OE2 3.22Å
123T97.6Very high98Very high56 Ų5643.6 Ų43.634%0.34422%0.217SC..SBendtrans-114.7152.9-170.475.80000113.4K125 E126 A127T123-K125 PolarHBondContact O-N 3.32Å; T123-E126 WeakPolarHBondContact CB-OE2 3.38Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.47Å; T123-E126 PolarHBondContact N-OE2 3.44Å; T123-E126 PolarHBondContact O-N 2.76Å; T123-E126 WeakPolarHBondContact OG1-CG 3.42Å; T123-E126 PolarHBondContact OG1-N 3.38Å; T123-E126 PolarHBondContact OG1-OE2 3.28Å; T123-A127 PolarHBondContact O-N 2.82Å
124Y97.7Very high98Very high87 Ų8742.9 Ų42.934%0.34121%0.214SC..Hα-helixtrans-56.5-38.8174176.6-97.7000111.8P66 W73 A127 Q128 W148P66-Y124 HydrophobicContact CG-CD2 4.45Å; P66-Y124 HydrophobicContact CG-CE2 3.61Å; W73-Y124 HydrophobicContact CD2-CD2 4Å; W73-Y124 AromaticContact CE3-CD2 3.77Å; W73-Y124 HydrophobicContact CE3-CD2 3.77Å; W73-Y124 AromaticContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CE2 4.36Å; W73-Y124 HydrophobicContact CH2-CG 4.4Å; W73-Y124 AromaticContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CG 4.24Å; W73-Y124 AromaticContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CE2 4.14Å; Y124-A127 PolarHBondContact O-N 2.79Å; Y124-Q128 HydrophobicContact CE1-CB 4.18Å; Y124-Q128 HydrophobicContact CE1-CG 4.43Å; Y124-Q128 VanDerWaalsContact O-CB 3.29Å; Y124-Q128 WeakPolarHBondContact O-CB 3Å; Y124-Q128 PolarHBondContact O-N 2.73Å; Y124-Q128 PolarHBondContact OH-OE1 3.12Å; Y124-W148 AromaticContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CZ2 4.22Å; Y124-W148 AromaticContact CE2-CH2 3.58Å; Y124-W148 HydrophobicContact CE2-CH2 3.58Å; Y124-W148 AromaticContact CE2-CZ2 3.54Å; Y124-W148 HydrophobicContact CE2-CZ2 3.54Å
125K98.1Very high98.1Very high164 Ų16443.7 Ų43.771%0.71322%0.22SC*.Hα-helixtrans-66.8-42-174.7-173.3-174.7174.7-169.10111.5T123 A129T123-K125 PolarHBondContact O-N 3.32Å; K125-A129 VanDerWaalsContact O-CB 3.27Å; K125-A129 WeakPolarHBondContact O-CB 3.28Å; K125-A129 PolarHBondContact O-N 3.31Å
126E98.4Very high98Very high41 Ų4145.4 Ų45.419%0.19224%0.238CC..Hα-helixtrans-65.3-49177.1-66.7162.3134.600110.6Y96 G97 E98 Y121 T123 Q128 A129 A130Y96-E126 WeakPolarHBondContact O-CB 3.18Å; Y96-E126 WeakPolarHBondContact O-CG 3.18Å; G97-E126 WeakPolarHBondContact CA-OE1 3.43Å; E98-E126 PolarHBondContact N-OE1 3.18Å; Y121-E126 HydrophobicContact CD1-CB 3.92Å; Y121-E126 HydrophobicContact CG-CB 3.97Å; T123-E126 WeakPolarHBondContact CB-OE2 3.38Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.47Å; T123-E126 PolarHBondContact N-OE2 3.44Å; T123-E126 PolarHBondContact O-N 2.76Å; T123-E126 WeakPolarHBondContact OG1-CG 3.42Å; T123-E126 PolarHBondContact OG1-N 3.38Å; T123-E126 PolarHBondContact OG1-OE2 3.28Å; E126-Q128 PolarHBondContact O-N 2.72Å; E126-A129 PolarHBondContact O-N 3.14Å; E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.91Å
127A98.1Very high98Very high0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-62.1-42.5178.400000112.7W73 L75 Y121 T123 Y124 A130 M131 W148W73-A127 HydrophobicContact CB-CB 3.78Å; L75-A127 HydrophobicContact CD1-CB 4.46Å; L75-A127 WeakPolarHBondContact CD1-O 3.41Å; L75-A127 HydrophobicContact CD2-CB 4.12Å; L75-A127 HydrophobicContact CG-CB 4.24Å; Y121-A127 HydrophobicContact CD2-CB 3.84Å; Y121-A127 HydrophobicContact CG-CB 4.43Å; T123-A127 PolarHBondContact O-N 2.82Å; Y124-A127 PolarHBondContact O-N 2.79Å; A127-A130 PolarHBondContact O-N 2.93Å; A127-M131 WeakPolarHBondContact O-CB 3.39Å; A127-M131 PolarHBondContact O-N 2.84Å; A127-W148 HydrophobicContact CB-CH2 3.83Å; A127-W148 HydrophobicContact CB-CZ3 3.6Å
128Q97.9Very high97.9Very high62 Ų6251 Ų5129%0.2927%0.269SS..Hα-helixtrans-65.3-42176.8-167.9-169.9-94.800111.1Y124 E126 M131 E132 W148Y124-Q128 HydrophobicContact CE1-CB 4.18Å; Y124-Q128 HydrophobicContact CE1-CG 4.43Å; Y124-Q128 VanDerWaalsContact O-CB 3.29Å; Y124-Q128 WeakPolarHBondContact O-CB 3Å; Y124-Q128 PolarHBondContact O-N 2.73Å; Y124-Q128 PolarHBondContact OH-OE1 3.12Å; E126-Q128 PolarHBondContact O-N 2.72Å; Q128-M131 PolarHBondContact O-N 3.42Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.38Å; Q128-E132 PolarHBondContact NE2-OE1 3.33Å; Q128-E132 WeakPolarHBondContact O-CG 3.38Å; Q128-E132 PolarHBondContact O-N 3.36Å; Q128-W148 HydrophobicContact CB-CH2 4.13Å; Q128-W148 HydrophobicContact CB-CZ2 4.05Å; Q128-W148 HydrophobicContact CG-CZ2 4.31Å
129A98.2Very high97.8Very high38 Ų3849.7 Ų49.731%0.31426%0.262SS..Hα-helixtrans-63.1-43.3177.300000111.8Y96 K125 E126 E132 G133Y96-A129 VanDerWaalsContact CD1-C 3.47Å; Y96-A129 HydrophobicContact CD1-CB 4.07Å; Y96-A129 WeakPolarHBondContact CD1-O 3.27Å; Y96-A129 WeakPolarHBondContact CE1-O 3.08Å; K125-A129 VanDerWaalsContact O-CB 3.27Å; K125-A129 WeakPolarHBondContact O-CB 3.28Å; K125-A129 PolarHBondContact O-N 3.31Å; E126-A129 PolarHBondContact O-N 3.14Å; A129-E132 PolarHBondContact O-N 3.29Å; A129-G133 PolarHBondContact O-N 3.01Å
130A98.4Very high97.6Very high0 Ų054 Ų540%028%0.283CS..Hα-helixtrans-60.6-45.417500000111.9L75 F93 Y96 Y121 E126 A127 G133 L134L75-A130 HydrophobicContact CD1-CB 3.86Å; F93-A130 HydrophobicContact CD1-CB 4.42Å; Y96-A130 HydrophobicContact CD1-CB 4.33Å; Y96-A130 HydrophobicContact CD2-CB 3.87Å; Y96-A130 VanDerWaalsContact CG-CA 3.41Å; Y96-A130 HydrophobicContact CG-CB 3.7Å; Y121-A130 HydrophobicContact CE2-CB 3.56Å; Y121-A130 WeakPolarHBondContact OH-CB 3.35Å; E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.91Å; A127-A130 PolarHBondContact O-N 2.93Å; A130-G133 PolarHBondContact O-N 3.32Å; A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.27Å; A130-L134 PolarHBondContact O-N 3.2Å
131M97.7Very high97.5Very high21 Ų2156 Ų5610%0.10331%0.309CS..Hα-helixtrans-58.8-51.5176178.7-175.2-6100112L75 A127 Q128 G133 N135 V146 D147 W148L75-M131 HydrophobicContact CD1-CB 4.5Å; L75-M131 HydrophobicContact CD2-CB 4.4Å; L75-M131 HydrophobicContact CD2-CE 3.51Å; A127-M131 WeakPolarHBondContact O-CB 3.39Å; A127-M131 PolarHBondContact O-N 2.84Å; Q128-M131 PolarHBondContact O-N 3.42Å; M131-G133 VanDerWaalsContact C-N 3.3Å; M131-G133 PolarHBondContact O-N 3.17Å; M131-N135 WeakPolarHBondContact O-CB 3.26Å; M131-N135 PolarHBondContact O-N 3.05Å; M131-V146 HydrophobicContact CB-CG1 4.21Å; M131-V146 HydrophobicContact CG-CG1 4.39Å; M131-V146 WeakPolarHBondContact CG-O 3.07Å; M131-D147 VanDerWaalsContact CE-C 3.43Å; M131-W148 HydrophobicContact CE-CB 4.25Å; M131-W148 VanDerWaalsContact CE-CD1 3.48Å; M131-W148 HydrophobicContact CE-CD2 3.37Å; M131-W148 HydrophobicContact CE-CE3 4.03Å; M131-W148 HydrophobicContact CE-CG 3.46Å; M131-W148 VanDerWaalsContact CE-CG 3.46Å; M131-W148 HydrophobicContact CE-CZ2 4.03Å; M131-W148 VanDerWaalsContact CE-N 3.29Å
132E97.4Very high97.3Very high140 Ų14059.6 Ų59.665%0.65433%0.326SS*.Hα-helixtrans-64.3-34.6-179.3-71172.7-166.800112.4Q128 A129Q128-E132 WeakPolarHBondContact CG-OE1 3.38Å; Q128-E132 PolarHBondContact NE2-OE1 3.33Å; Q128-E132 WeakPolarHBondContact O-CG 3.38Å; Q128-E132 PolarHBondContact O-N 3.36Å; A129-E132 PolarHBondContact O-N 3.29Å
133G97.7Very high97.3Very high21 Ų2159.3 Ų59.322%0.21633%0.332CS..Hα-helixtrans-79.1-37.2-179.600000114.1A129 A130 M131 Q137A129-G133 PolarHBondContact O-N 3.01Å; A130-G133 PolarHBondContact O-N 3.32Å; M131-G133 VanDerWaalsContact C-N 3.3Å; M131-G133 PolarHBondContact O-N 3.17Å; G133-Q137 WeakPolarHBondContact O-CG 3.2Å; G133-Q137 PolarHBondContact O-NE2 3.28Å; G133-Q137 VanDerWaalsContact O-NE2 3.15Å
134L98.2Very high97.4Very high2 Ų256.7 Ų56.71%0.0132%0.316CS..Hα-helixtrans-105-17.9-169.4-63.3176.3000114.9K92 F93 Y96 A130 G136 Q137 I144 V146K92-L134 HydrophobicContact CD-CD2 4.26Å; K92-L134 HydrophobicContact CG-CD1 4.36Å; K92-L134 HydrophobicContact CG-CD2 3.77Å; F93-L134 HydrophobicContact CB-CD1 4.49Å; F93-L134 HydrophobicContact CD1-CD1 3.54Å; F93-L134 HydrophobicContact CD2-CD1 3.78Å; F93-L134 HydrophobicContact CE1-CD1 3.52Å; F93-L134 HydrophobicContact CE2-CD1 3.77Å; F93-L134 HydrophobicContact CG-CD1 3.67Å; F93-L134 HydrophobicContact CZ-CD1 3.63Å; Y96-L134 HydrophobicContact CD2-CD1 3.96Å; Y96-L134 HydrophobicContact CD2-CG 4.3Å; Y96-L134 HydrophobicContact CE2-CD1 3.52Å; Y96-L134 HydrophobicContact CE2-CD2 3.79Å; Y96-L134 HydrophobicContact CE2-CG 3.45Å; Y96-L134 VanDerWaalsContact CE2-CG 3.45Å; A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.27Å; A130-L134 PolarHBondContact O-N 3.2Å; L134-G136 PolarHBondContact O-N 3.22Å; L134-Q137 HydrophobicContact CD2-CG 4.43Å; L134-Q137 VanDerWaalsContact O-CB 3.31Å; L134-Q137 WeakPolarHBondContact O-CB 3.35Å; L134-Q137 WeakPolarHBondContact O-CG 3.04Å; L134-Q137 PolarHBondContact O-N 3.25Å; L134-I144 HydrophobicContact CB-CD1 4.48Å; L134-V146 HydrophobicContact CB-CG2 4.02Å
135N97.8Very high97.4Very high67 Ų6755 Ų5536%0.35832%0.316SS..THydrogen-bonded Turntrans-64.2121.7178.7-167.813.9000110.9M131 Q137 S145 V146M131-N135 WeakPolarHBondContact O-CB 3.26Å; M131-N135 PolarHBondContact O-N 3.05Å; N135-Q137 VanDerWaalsContact C-N 3.31Å; N135-S145 WeakPolarHBondContact OD1-CA 3.28Å; N135-V146 HydrophobicContact CB-CB 4.09Å; N135-V146 PolarHBondContact ND2-O 3.39Å; N135-V146 PolarHBondContact OD1-N 2.83Å
136G96.9Very high97.4Very high52 Ų5247.1 Ų47.154%0.53628%0.283SS..THydrogen-bonded Turntrans81.41.8-175.100000114.8L134 I144L134-G136 PolarHBondContact O-N 3.22Å; G136-I144 VanDerWaalsContact CA-O 3.26Å; G136-I144 WeakPolarHBondContact CA-O 3.3Å; G136-I144 PolarHBondContact N-O 3.12Å
137Q97.4Very high97.3Very high94 Ų9448 Ų4844%0.43929%0.288SS..  trans-76.4164175.6-64.2-61.8-16.300112.2G133 L134 N135 P143 I144G133-Q137 WeakPolarHBondContact O-CG 3.2Å; G133-Q137 PolarHBondContact O-NE2 3.28Å; G133-Q137 VanDerWaalsContact O-NE2 3.15Å; L134-Q137 HydrophobicContact CD2-CG 4.43Å; L134-Q137 VanDerWaalsContact O-CB 3.31Å; L134-Q137 WeakPolarHBondContact O-CB 3.35Å; L134-Q137 WeakPolarHBondContact O-CG 3.04Å; L134-Q137 PolarHBondContact O-N 3.25Å; N135-Q137 VanDerWaalsContact C-N 3.31Å; Q137-P143 CarbonylContact O-C 3.57Å; Q137-P143 VanDerWaalsContact O-CA 3.32Å; Q137-P143 WeakPolarHBondContact O-CA 3.49Å; Q137-I144 WeakPolarHBondContact O-CG1 3.25Å; Q137-I144 PolarHBondContact O-N 2.86Å
138D96.8Very high97.3Very high78 Ų7850.5 Ų50.542%0.41730%0.298SS..EExtended strand (participates in β ladder)trans-86.7136.3177.5-171.4-90.5000112.8K92 G141 Q142K92-D138 PolarHBondContact NZ-O 2.69Å; D138-G141 WeakPolarHBondContact OD1-CA 3.32Å; D138-G141 PolarHBondContact OD1-N 3.16Å; D138-G141 WeakPolarHBondContact OD2-CA 3.37Å; D138-G141 PolarHBondContact OD2-N 3.21Å; D138-Q142 PolarHBondContact OD2-N 3.46Å; D138-Q142 VanDerWaalsContact OD2-N 3.12Å
139L95.6Very high97.2Very high10 Ų1049 Ų495%0.05229%0.294CS..EExtended strand (participates in β ladder)trans-129.5113166.3-171.781.7000108.6V80 A84 I89 K92 G141 Q142 I144V80-L139 HydrophobicContact CG1-CD2 4.02Å; A84-L139 HydrophobicContact CB-CD2 4.28Å; I89-L139 HydrophobicContact CD1-CD2 3.58Å; K92-L139 HydrophobicContact CB-CD1 4.29Å; K92-L139 HydrophobicContact CD-CD1 4.47Å; K92-L139 HydrophobicContact CG-CD1 4.3Å; L139-G141 VanDerWaalsContact C-N 3.28Å; L139-G141 PolarHBondContact O-N 2.9Å; L139-Q142 PolarHBondContact N-O 3.05Å; L139-Q142 PolarHBondContact O-N 3.04Å; L139-Q142 VanDerWaalsContact O-N 3.12Å; L139-I144 HydrophobicContact CB-CG2 3.76Å; L139-I144 HydrophobicContact CD2-CG2 4.25Å
140M95.6Very high97.1Very high89 Ų8952 Ų5244%0.43830%0.3SS..THydrogen-bonded Turntrans5536.8-178.1-57-179.673.600114.4H81 A84 Q142H81-M140 HydrophobicContact CB-CB 3.94Å; H81-M140 HydrophobicContact CB-CG 4.45Å; H81-M140 HydrophobicContact CB-SD 4.03Å; A84-M140 VanDerWaalsContact CA-SD 3.55Å; A84-M140 HydrophobicContact CB-SD 3.73Å; M140-Q142 VanDerWaalsContact C-N 3.31Å
141G95.3Very high96.9Very high62 Ų6254.7 Ų54.764%0.63932%0.316SS*.THydrogen-bonded Turntrans82.46.4-179.600000114.4D138 L139D138-G141 WeakPolarHBondContact OD1-CA 3.32Å; D138-G141 PolarHBondContact OD1-N 3.16Å; D138-G141 WeakPolarHBondContact OD2-CA 3.37Å; D138-G141 PolarHBondContact OD2-N 3.21Å; L139-G141 VanDerWaalsContact C-N 3.28Å; L139-G141 PolarHBondContact O-N 2.9Å
142Q95.9Very high96.5Very high75 Ų7561.2 Ų61.235%0.3534%0.34SS..EExtended strand (participates in β ladder)trans-120.5130.7177.3-168.3171.1-54.600110.6G79 D138 L139 M140G79-Q142 VanDerWaalsContact C-NE2 3.28Å; G79-Q142 PolarHBondContact O-NE2 3.5Å; D138-Q142 PolarHBondContact OD2-N 3.46Å; D138-Q142 VanDerWaalsContact OD2-N 3.12Å; L139-Q142 PolarHBondContact N-O 3.05Å; L139-Q142 PolarHBondContact O-N 3.04Å; L139-Q142 VanDerWaalsContact O-N 3.12Å; M140-Q142 VanDerWaalsContact C-N 3.31Å
143P97.5Very high95.9Very high87 Ų8756 Ų5657%0.56532%0.323SS*.EExtended strand (participates in β ladder)trans-69.7133.7175.928.3-33.9000110.8Q137Q137-P143 CarbonylContact O-C 3.57Å; Q137-P143 VanDerWaalsContact O-CA 3.32Å; Q137-P143 WeakPolarHBondContact O-CA 3.49Å
144I98.1Very high95Very high0 Ų059.8 Ų59.80%034%0.344CS..  trans-99.6148.3173.159.1167.7000110.9V77 T78 F93 L134 G136 Q137 L139 V146V77-I144 HydrophobicContact CG1-CB 4.2Å; V77-I144 HydrophobicContact CG1-CD1 4.16Å; T78-I144 CarbonylContact O-C 3.48Å; T78-I144 VanDerWaalsContact O-CA 3.28Å; T78-I144 WeakPolarHBondContact O-CA 3.37Å; F93-I144 HydrophobicContact CE2-CD1 4.22Å; F93-I144 HydrophobicContact CZ-CD1 4.26Å; L134-I144 HydrophobicContact CB-CD1 4.48Å; G136-I144 VanDerWaalsContact CA-O 3.26Å; G136-I144 WeakPolarHBondContact CA-O 3.3Å; G136-I144 PolarHBondContact N-O 3.12Å; Q137-I144 WeakPolarHBondContact O-CG1 3.25Å; Q137-I144 PolarHBondContact O-N 2.86Å; L139-I144 HydrophobicContact CB-CG2 3.76Å; L139-I144 HydrophobicContact CD2-CG2 4.25Å; I144-V146 HydrophobicContact CD1-CG2 4.1Å; I144-V146 HydrophobicContact CG1-CG2 4.47Å
145S98.1Very high93.9Very high51 Ų5163.6 Ų63.636%0.35737%0.369SS..EExtended strand (participates in β ladder)trans-109.2136.4168.1-58.70000109.3V77 T78 N135V77-S145 CarbonylContact C-O 3.55Å; V77-S145 VanDerWaalsContact CA-O 3.3Å; V77-S145 WeakPolarHBondContact CA-O 3.3Å; T78-S145 PolarHBondContact N-O 2.97Å; T78-S145 PolarHBondContact O-N 2.75Å; N135-S145 WeakPolarHBondContact OD1-CA 3.28Å
146V98Very high92.4Very high0 Ų067.7 Ų67.70%038%0.384CS..EExtended strand (participates in β ladder)trans-126.3119.4-176.4-174.50000108.7L75 V77 F93 M131 L134 N135 I144L75-V146 HydrophobicContact CB-CG1 4.16Å; L75-V146 HydrophobicContact CD1-CG1 3.8Å; L75-V146 HydrophobicContact CG-CG1 4.43Å; V77-V146 HydrophobicContact CG1-CG2 4.23Å; V77-V146 HydrophobicContact CG2-CG1 4.31Å; V77-V146 HydrophobicContact CG2-CG2 4.31Å; F93-V146 HydrophobicContact CE1-CG1 4.39Å; F93-V146 HydrophobicContact CZ-CG2 4.09Å; M131-V146 HydrophobicContact CB-CG1 4.21Å; M131-V146 HydrophobicContact CG-CG1 4.39Å; M131-V146 WeakPolarHBondContact CG-O 3.07Å; L134-V146 HydrophobicContact CB-CG2 4.02Å; N135-V146 HydrophobicContact CB-CB 4.09Å; N135-V146 PolarHBondContact ND2-O 3.39Å; N135-V146 PolarHBondContact OD1-N 2.83Å; I144-V146 HydrophobicContact CD1-CG2 4.1Å; I144-V146 HydrophobicContact CG1-CG2 4.47Å
147D97.4Very high90.7Very high59 Ų5968.2 Ų68.232%0.31639%0.389SS..EExtended strand (participates in β ladder)trans-135.6168.5-177.2-69.2-69.4000111.1L75 F76 M131 C149L75-D147 CarbonylContact C-O 3.55Å; L75-D147 WeakPolarHBondContact CA-O 3.38Å; F76-D147 PolarHBondContact N-O 3.44Å; F76-D147 PolarHBondContact O-N 2.77Å; M131-D147 VanDerWaalsContact CE-C 3.43Å; D147-C149 PolarHBondContact O-N 2.64Å
148W97.2Very high88.7Confident53 Ų5371 Ų7120%0.20140%0.4CS..EExtended strand (participates in β ladder)trans-68.9130.4172.4-65.9111.5000109.6P66 W73 L75 Y124 A127 Q128 M131P66-W148 HydrophobicContact CB-CB 4.07Å; P66-W148 HydrophobicContact CB-CD2 3.34Å; P66-W148 HydrophobicContact CB-CE3 3.73Å; P66-W148 HydrophobicContact CB-CG 3.49Å; P66-W148 VanDerWaalsContact CB-CG 3.49Å; P66-W148 HydrophobicContact CB-CZ2 4.3Å; P66-W148 HydrophobicContact CB-CZ3 4.35Å; P66-W148 HydrophobicContact CG-CD2 3.89Å; P66-W148 HydrophobicContact CG-CE3 4.42Å; P66-W148 HydrophobicContact CG-CG 4.23Å; P66-W148 HydrophobicContact CG-CH2 4.48Å; P66-W148 HydrophobicContact CG-CZ2 3.96Å; W73-W148 HydrophobicContact CB-CZ3 4.25Å; W73-W148 HydrophobicContact CE3-CE3 4.41Å; W73-W148 HydrophobicContact CE3-CH2 4.43Å; W73-W148 AromaticContact CE3-CZ3 3.9Å; W73-W148 HydrophobicContact CE3-CZ3 3.9Å; L75-W148 HydrophobicContact CD2-CD2 4.3Å; L75-W148 HydrophobicContact CD2-CE3 3.7Å; L75-W148 HydrophobicContact CD2-CZ3 3.86Å; Y124-W148 AromaticContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CZ2 4.22Å; Y124-W148 AromaticContact CE2-CH2 3.58Å; Y124-W148 HydrophobicContact CE2-CH2 3.58Å; Y124-W148 AromaticContact CE2-CZ2 3.54Å; Y124-W148 HydrophobicContact CE2-CZ2 3.54Å; A127-W148 HydrophobicContact CB-CH2 3.83Å; A127-W148 HydrophobicContact CB-CZ3 3.6Å; Q128-W148 HydrophobicContact CB-CH2 4.13Å; Q128-W148 HydrophobicContact CB-CZ2 4.05Å; Q128-W148 HydrophobicContact CG-CZ2 4.31Å; M131-W148 HydrophobicContact CE-CB 4.25Å; M131-W148 VanDerWaalsContact CE-CD1 3.48Å; M131-W148 HydrophobicContact CE-CD2 3.37Å; M131-W148 HydrophobicContact CE-CE3 4.03Å; M131-W148 HydrophobicContact CE-CG 3.46Å; M131-W148 VanDerWaalsContact CE-CG 3.46Å; M131-W148 HydrophobicContact CE-CZ2 4.03Å; M131-W148 VanDerWaalsContact CE-N 3.29Å
149C96.9Very high86.4Confident30 Ų3078.5 Ų78.520%0.20342%0.422CS..SBendtrans-70.9-34.6-179.2-174.50000112.7I74 F76 D147I74-C149 HydrophobicContact CB-CB 3.9Å; I74-C149 HydrophobicContact CG2-CB 3.61Å; I74-C149 WeakPolarHBondContact O-CB 3.23Å; I74-C149 PolarHBondContact O-N 2.97Å; F76-C149 HydrophobicContact CB-CB 3.98Å; D147-C149 PolarHBondContact O-N 2.64Å
150F95.7Very high84.2Confident100 Ų10089.5 Ų89.544%0.43946%0.463SS..  trans-131.9144.6-179.6-54.7-65.4000110.6Q67 I74Q67-F150 HydrophobicContact CB-CB 3.94Å; Q67-F150 HydrophobicContact CG-CB 4.34Å; Q67-F150 PolarHBondContact N-O 2.86Å; I74-F150 HydrophobicContact CB-CE2 4.47Å; I74-F150 HydrophobicContact CD1-CE2 4.14Å
151V94.3Very high81.7Confident57 Ų5788.5 Ų88.535%0.34548%0.475SS..BIsolated β-bridgetrans-127156.6179.6-65.50000110.4P64 G153P64-V151 HydrophobicContact CB-CB 4.16Å; P64-V151 HydrophobicContact CB-CG2 4.45Å; P64-V151 HydrophobicContact CG-CB 3.84Å; P64-V151 HydrophobicContact CG-CG1 4.45Å; P64-V151 HydrophobicContact CG-CG2 3.8Å; V151-G153 WeakPolarHBondContact CG2-O 3.07Å; V151-G153 PolarHBondContact O-N 2.93Å; V151-G153 VanDerWaalsContact O-N 3.13Å
152R89.2Confident79.1Confident159 Ų15988.6 Ų88.660%0.648%0.476SS*.SBendtrans-68.1-9.8-171.5-75.4-178.4-176.2110.23.1115.6G65 P66 Q67G65-R152 WeakPolarHBondContact O-CG 3.49Å; G65-R152 PolarHBondContact O-N 2.69Å; P66-R152 PolarHBondContact O-NE 3.19Å; P66-R152 PolarHBondContact O-NH1 3.23Å; P66-R152 PolarHBondContact O-NH2 2.86Å; Q67-R152 HydrophobicContact CB-CG 4.34Å
153G83.4Confident76.6Confident29 Ų2994.2 Ų94.230%0.29949%0.494SS..SBendtrans174.9-174-176.300000112.5P64 V151P64-G153 WeakPolarHBondContact CB-O 3.5Å; P64-G153 WeakPolarHBondContact CG-O 3.37Å; V151-G153 WeakPolarHBondContact CG2-O 3.07Å; V151-G153 PolarHBondContact O-N 2.93Å; V151-G153 VanDerWaalsContact O-N 3.13Å
154P80.3Confident74.1Confident102 Ų102101.6 Ų101.666%0.66251%0.511SS*.SBendtrans-66.1150.3176.527.5-33.5000110.6K156P154-K156 PolarHBondContact O-N 2.73Å
155P74.1Confident71.8Confident82 Ų82110 Ų11053%0.53254%0.542SS..  trans-52.2136.8170.3-24.132.9000110.4V57 G157V57-P155 HydrophobicContact CG1-CG 4.36Å; P155-G157 PolarHBondContact O-N 3.13Å
156K67.1Low69.6Low153 Ų153112.1 Ų112.167%0.66556%0.558SS**  trans-68.986.3168.8-67.9-140.3-177.2173.90107.5D62 P154 K158D62-K156 HydrophobicContact CB-CB 4.22Å; D62-K156 VanDerWaalsContact OD1-CB 3.23Å; D62-K156 WeakPolarHBondContact OD1-CB 3.37Å; D62-K156 WeakPolarHBondContact OD1-CD 3.47Å; P154-K156 PolarHBondContact O-N 2.73Å; K156-K158 PolarHBondContact O-N 2.71Å
157G61.4Low67.3Low62 Ų62124 Ų12464%0.63960%0.602SS**  trans-52.6117.6174.400000107.1P155 R159P155-G157 PolarHBondContact O-N 3.13Å; G157-R159 PolarHBondContact O-N 2.88Å
158K53.9Low65.4Low154 Ų154125.9 Ų125.967%0.6762%0.62SS**  trans-53.9101.4159.1-80.6173.6-174.2154.60104K156 R160K156-K158 PolarHBondContact O-N 2.71Å; K158-R160 VanDerWaalsContact C-N 3.26Å; K158-R160 PolarHBondContact O-N 3.05Å
159R49.3Very low63.4Low234 Ų234129.2 Ų129.288%0.88365%0.649SS**  trans-43.2104.8165.5-81.5-176.7149.8148.4-1103.5G157 G161G157-R159 PolarHBondContact O-N 2.88Å; R159-G161 WeakPolarHBondContact O-CA 3.49Å; R159-G161 PolarHBondContact O-N 3.3Å
160R49.7Very low61.5Low242 Ų242134.1 Ų134.191%0.91367%0.672SS**  trans-55.2102.4-176.1-79-175.5103.1167.79.8104K158 G162K158-R160 VanDerWaalsContact C-N 3.26Å; K158-R160 PolarHBondContact O-N 3.05Å; R160-G162 PolarHBondContact O-N 3.13Å
161G42.3Very low59.6Low68 Ų68138.4 Ų138.470%0.70169%0.686SS**  trans-50.3121.5-167.400000105R159 R163R159-G161 WeakPolarHBondContact O-CA 3.49Å; R159-G161 PolarHBondContact O-N 3.3Å; G161-R163 PolarHBondContact O-N 2.92Å; G161-R163 VanDerWaalsContact O-N 3.09Å
162G42.5Very low57.8Low64 Ų64147.9 Ų147.966%0.6672%0.715SS**  trans-38.8124.4-166.100000108.2R160 R164R160-G162 PolarHBondContact O-N 3.13Å; G162-R164 PolarHBondContact O-N 3.44Å
163R43.4Very low56.2Low192 Ų192150.8 Ų150.873%0.72573%0.726SS**  trans-59.981.3177.1-163.9-171.2-170.4160.77.2106.8G161 R165G161-R163 PolarHBondContact O-N 2.92Å; G161-R163 VanDerWaalsContact O-N 3.09Å; R163-R165 HydrophobicContact CG-CG 4Å; R163-R165 VanDerWaalsContact NE-NE 3.12Å; R163-R165 PolarHBondContact O-N 3.39Å
164R44.3Very low55.1Low242 Ų242164.8 Ų164.891%0.91377%0.77SS**  trans-65.674.6158.6-74.6-174.6174.6-171.2-0.4103.2G162 S166G162-R164 PolarHBondContact O-N 3.44Å; R164-S166 PolarHBondContact O-N 3.13Å
165R48.9Very low53.8Low176 Ų176167.9 Ų167.966%0.66478%0.775SS**  trans-61.497.9154.1-91.7178.7171170-6.2103.9R163 R167R163-R165 HydrophobicContact CG-CG 4Å; R163-R165 VanDerWaalsContact NE-NE 3.12Å; R163-R165 PolarHBondContact O-N 3.39Å; R165-R167 PolarHBondContact O-N 3.3Å
166S52.6Low52.8Low97 Ų97172.4 Ų172.468%0.67879%0.788SS**  trans-9.1104.5165.938.10000113.6R164 S168R164-S166 PolarHBondContact O-N 3.13Å; S166-S168 PolarHBondContact O-N 3.21Å
167R50.2Low52Low250 Ų250173.5 Ų173.594%0.94380%0.795SS**  trans-67.587.6140.9-85-178.5171170.7-2.6106.5R165R165-R167 PolarHBondContact O-N 3.3Å
168S57.6Low51.4Low98 Ų98180.1 Ų180.169%0.68580%0.804SS**  trans-123.994.6158.3-60.40000106.9S166S166-S168 PolarHBondContact O-N 3.21Å
169P53.6Low51.3Low123 Ų123181.7 Ų181.780%0.79981%0.813SS**  trans-82.5108.3159.322-8.6000107.2
170D58.6Low51.4Low132 Ų132178.2 Ų178.271%0.70681%0.808SS**  trans-135.4107.2164.8-16034.9000113
171R55.7Low51.5Low191 Ų191173.6 Ų173.672%0.72180%0.8SS**  trans23.3113.9140.8-59.1174.1-176.3-159.40.3117.3
172R55.2Low52.2Low255 Ų255181.8 Ų181.896%0.96281%0.808SS**  -122.8106.5127.7-75.8-170.1176.9-177.2-0.4109.6
173R56.2Low53.1Low220 Ų220191.6 Ų191.683%0.8382%0.82SS**  trans-70.6118.5159.4-78.6177.6167.9-177.9-5.1108.1
174R60.6Low53.9Low323 Ų323191.5 Ų191.5100%1.21983%0.829SS**  -171.80128.4-105.8-172.3-177.6-146.71.3108.9

Retrieved 174 of 174 residues in 447.6 ms (Link to these results)