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Small ribosomal subunit protein uS12

Component of the ribosome, a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. The small ribosomal subunit (SSU) binds messenger RNAs (mRNAs) and translates the encoded message by selecting cognate aminoacyl-transfer RNA (tRNA) molecules. The large subunit (LSU) contains the ribosomal catalytic site termed the peptidyl transferase center (PTC), which catalyzes the formation of peptide bonds, thereby polymerizing the amino acids delivered by tRNAs into a polypeptide chain. The nascent polypeptides leave the ribosome through a tunnel in the LSU and interact with protein factors that function in enzymatic processing, targeting, and the membrane insertion of nascent chains at the exit of the ribosomal tunnel. Plays an important role in translational accuracy. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession P62298, Species CHILA (Chinchilla lanigera, Long-tailed chinchilla), Gene RPS23, Length 143 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
1M62Low89.1Confident249 Ų249140.5 Ų140.5100%1.22771%0.71SS**  0147.50-73.1168.9-177.400108.6
2G84.6Confident89.6Confident82 Ų82140.7 Ų140.785%0.84570%0.702SS**  trans142.3-40.9173.400000115.3
3K86.9Confident90.1Very high161 Ų161135.5 Ų135.570%0.768%0.678SS**SBendtrans-82.3136176.463-177.9178.9179.70111.8L13K3-L13 HydrophobicContact CB-CD2 4.27Å
4C89.7Confident90.5Very high37 Ų37140.3 Ų140.325%0.2568%0.684CS.*  trans-62.5141.1173.1-510000110.4T9 K12C4-T9 HydrophobicContact CB-CG2 3.99Å; C4-K12 VanDerWaalsContact SG-CD 3.53Å; C4-K12 WeakPolarHBondContact SG-CE 3.38Å
5R92Very high90.9Very high223 Ų223133.7 Ų133.784%0.84266%0.658SS**  trans-118.71.2-178.2-62.6-174.1-179.6-171.6-1.2114.3
6G92.6Very high91.2Very high42 Ų42132.4 Ų132.443%0.43365%0.65SS.*SBendtrans-75.3148.7-177.800000113.2R8 T9G6-R8 VanDerWaalsContact C-N 3.28Å; G6-R8 PolarHBondContact O-N 2.88Å; G6-T9 WeakPolarHBondContact O-CB 3.45Å; G6-T9 WeakPolarHBondContact O-CG2 3.4Å; G6-T9 PolarHBondContact O-N 3.21Å; G6-T9 VanDerWaalsContact O-N 3.1Å; G6-T9 PolarHBondContact O-OG1 3.48Å
7L92Very high91.4Very high181 Ų181133.8 Ų133.895%0.94865%0.646SS**THydrogen-bonded Turntrans-53.7-37.5-177.1-71.8163.6000113.9T9L7-T9 PolarHBondContact O-N 2.96Å
8R94.6Very high91.6Very high248 Ų248134.3 Ų134.394%0.93664%0.64SS**THydrogen-bonded Turntrans-93.819.4-178.3-62.3-177.8-179.8170.3-0.1114.3G6G6-R8 VanDerWaalsContact C-N 3.28Å; G6-R8 PolarHBondContact O-N 2.88Å
9T94.8Very high91.9Very high39 Ų39131.7 Ų131.724%0.23963%0.63CS.*  trans-98.59-174.166.30000115.2C4 G6 L7 R11 K12 L13C4-T9 HydrophobicContact CB-CG2 3.99Å; G6-T9 WeakPolarHBondContact O-CB 3.45Å; G6-T9 WeakPolarHBondContact O-CG2 3.4Å; G6-T9 PolarHBondContact O-N 3.21Å; G6-T9 VanDerWaalsContact O-N 3.1Å; G6-T9 PolarHBondContact O-OG1 3.48Å; L7-T9 PolarHBondContact O-N 2.96Å; T9-R11 VanDerWaalsContact C-N 3.33Å; T9-R11 PolarHBondContact O-N 3.5Å; T9-K12 PolarHBondContact O-N 3.1Å; T9-K12 VanDerWaalsContact O-N 3.15Å; T9-L13 PolarHBondContact O-N 3.09Å
10A94.9Very high92.1Very high71 Ų71129.3 Ų129.359%0.58762%0.618SS**Hα-helixtrans-54.5-41.3-17500000114.1K12 L13 R14A10-K12 PolarHBondContact O-N 3.23Å; A10-L13 PolarHBondContact O-N 3.43Å; A10-R14 PolarHBondContact O-N 3.29Å
11R96Very high92.3Very high212 Ų212126.9 Ų126.980%0.861%0.605SS**Hα-helixtrans-59.1-46.9179-175.5-176.2-67.9-176.8-0.7111.7T9 R14 S15T9-R11 VanDerWaalsContact C-N 3.33Å; T9-R11 PolarHBondContact O-N 3.5Å; R11-R14 PolarHBondContact O-N 2.89Å; R11-S15 PolarHBondContact O-N 3.46Å; R11-S15 PolarHBondContact O-OG 3.27Å
12K95.1Very high93.9Very high143 Ų143120.1 Ų120.162%0.62257%0.566SS**Hα-helixtrans-63.9-43.1179.9-177.3166.1174.7178.90111.1C4 T9 A10 R14 H16C4-K12 VanDerWaalsContact SG-CD 3.53Å; C4-K12 WeakPolarHBondContact SG-CE 3.38Å; T9-K12 PolarHBondContact O-N 3.1Å; T9-K12 VanDerWaalsContact O-N 3.15Å; A10-K12 PolarHBondContact O-N 3.23Å; K12-R14 PolarHBondContact O-N 3.41Å; K12-H16 VanDerWaalsContact O-CB 3.24Å; K12-H16 WeakPolarHBondContact O-CB 3.5Å; K12-H16 PolarHBondContact O-N 2.9Å
13L95.7Very high94.4Very high73 Ų73123.2 Ų123.238%0.38256%0.558SS.*Hα-helixtrans-61.3-42.9176.1-67174.2000112.1K3 T9 A10 R17K3-L13 HydrophobicContact CB-CD2 4.27Å; T9-L13 PolarHBondContact O-N 3.09Å; A10-L13 PolarHBondContact O-N 3.43Å; L13-R17 WeakPolarHBondContact O-CB 3.42Å; L13-R17 PolarHBondContact O-N 3.03Å
14R96.3Very high94.9Very high203 Ų203119.7 Ų119.777%0.76655%0.547SS*.Hα-helixtrans-64.4-50.2177.7-175.5-177.5178.2-155.40.8112.3A10 R11 K12 R17 R18A10-R14 PolarHBondContact O-N 3.29Å; R11-R14 PolarHBondContact O-N 2.89Å; K12-R14 PolarHBondContact O-N 3.41Å; R14-R17 PolarHBondContact O-N 3.23Å; R14-R18 PolarHBondContact O-N 3.07Å
15S96.1Very high95.1Very high42 Ų42124.5 Ų124.529%0.29456%0.563SS.*Hα-helixtrans-60.8-47.7179.1-64.70000110.9R11 R17 R18 D19R11-S15 PolarHBondContact O-N 3.46Å; R11-S15 PolarHBondContact O-OG 3.27Å; S15-R17 VanDerWaalsContact C-N 3.34Å; S15-R17 PolarHBondContact O-N 3.32Å; S15-R18 WeakPolarHBondContact O-CB 3.29Å; S15-R18 PolarHBondContact O-N 3.33Å; S15-D19 VanDerWaalsContact O-CG 3.27Å; S15-D19 PolarHBondContact O-N 2.99Å
16H95.3Very high95.2Very high113 Ų113120.7 Ų120.752%0.52356%0.555SS.*Hα-helixtrans-57.9-45.2177.5-176.373.2000111.9K12 R18 D19 Q20K12-H16 VanDerWaalsContact O-CB 3.24Å; K12-H16 WeakPolarHBondContact O-CB 3.5Å; K12-H16 PolarHBondContact O-N 2.9Å; H16-R18 VanDerWaalsContact C-N 3.32Å; H16-R18 PolarHBondContact O-N 3.47Å; H16-D19 PolarHBondContact O-N 3.39Å; H16-Q20 WeakPolarHBondContact O-CB 3.19Å; H16-Q20 VanDerWaalsContact O-CG 3.22Å; H16-Q20 WeakPolarHBondContact O-CG 3.31Å; H16-Q20 PolarHBondContact O-N 3.14Å
17R95.4Very high95.4Very high156 Ų156121.1 Ų121.159%0.58954%0.544SS*.Hα-helixtrans-63.4-37.5176.3-17856.5173.1150.7-2.2112.3L13 R14 S15 K21L13-R17 WeakPolarHBondContact O-CB 3.42Å; L13-R17 PolarHBondContact O-N 3.03Å; R14-R17 PolarHBondContact O-N 3.23Å; S15-R17 VanDerWaalsContact C-N 3.34Å; S15-R17 PolarHBondContact O-N 3.32Å; R17-K21 WeakPolarHBondContact O-CG 3.41Å; R17-K21 PolarHBondContact O-N 2.98Å
18R95.7Very high95.6Very high142 Ų142117.6 Ų117.654%0.53652%0.521SS..Hα-helixtrans-62.8-44.9176.7-176.9-179.764.2-172.6-0.6111R14 S15 H16 K21R14-R18 PolarHBondContact O-N 3.07Å; S15-R18 WeakPolarHBondContact O-CB 3.29Å; S15-R18 PolarHBondContact O-N 3.33Å; H16-R18 VanDerWaalsContact C-N 3.32Å; H16-R18 PolarHBondContact O-N 3.47Å; R18-K21 PolarHBondContact O-N 3.47Å
19D95.8Very high95.5Very high85 Ų85110.3 Ų110.346%0.45550%0.496SS..Hα-helixtrans-67.3-43.4179.4-56.9-21.6000110.2S15 H16 K21 W22S15-D19 VanDerWaalsContact O-CG 3.27Å; S15-D19 PolarHBondContact O-N 2.99Å; H16-D19 PolarHBondContact O-N 3.39Å; D19-K21 VanDerWaalsContact C-N 3.31Å; D19-K21 PolarHBondContact O-N 2.88Å; D19-W22 WeakPolarHBondContact O-CB 3.43Å; D19-W22 PolarHBondContact O-N 3.11Å; D19-W22 VanDerWaalsContact O-N 3.14Å
20Q95.6Very high95.4Very high84 Ų84111.9 Ų111.939%0.39351%0.513SS..Hα-helixtrans-64.2-31.2177.2-69.3-59.5-42.100113.7H16 W22 H23H16-Q20 WeakPolarHBondContact O-CB 3.19Å; H16-Q20 VanDerWaalsContact O-CG 3.22Å; H16-Q20 WeakPolarHBondContact O-CG 3.31Å; H16-Q20 PolarHBondContact O-N 3.14Å; Q20-W22 PolarHBondContact O-N 2.68Å; Q20-H23 PolarHBondContact O-N 3.34Å; Q20-H23 VanDerWaalsContact O-N 3.14Å
21K96.6Very high95.4Very high79 Ų79113.5 Ų113.534%0.34351%0.508SS..Hα-helixtrans-60-28.8175.5-87.2-179.3171.5-1690112.4R17 R18 D19 H23 D24 Y27R17-K21 WeakPolarHBondContact O-CG 3.41Å; R17-K21 PolarHBondContact O-N 2.98Å; R18-K21 PolarHBondContact O-N 3.47Å; D19-K21 VanDerWaalsContact C-N 3.31Å; D19-K21 PolarHBondContact O-N 2.88Å; K21-H23 PolarHBondContact O-N 2.83Å; K21-D24 WeakPolarHBondContact O-CB 3.42Å; K21-D24 PolarHBondContact O-N 2.86Å; K21-D24 VanDerWaalsContact O-N 3.11Å; K21-Y27 HydrophobicContact CB-CD1 3.93Å; K21-Y27 HydrophobicContact CB-CD2 4.23Å; K21-Y27 HydrophobicContact CB-CE1 3.89Å; K21-Y27 HydrophobicContact CB-CE2 4.18Å; K21-Y27 HydrophobicContact CB-CG 4.1Å; K21-Y27 HydrophobicContact CD-CD2 4.12Å; K21-Y27 HydrophobicContact CD-CE2 3.66Å; K21-Y27 HydrophobicContact CG-CD2 4.4Å; K21-Y27 HydrophobicContact CG-CE2 4.34Å; K21-Y27 WeakPolarHBondContact O-CB 3.43Å; K21-Y27 VanDerWaalsContact O-CD1 3.26Å; K21-Y27 WeakPolarHBondContact O-CD1 3.28Å
22W96.7Very high95.3Very high107 Ų107107.4 Ų107.441%0.40549%0.491SS..THydrogen-bonded Turntrans-70.6-17178.6-71.1106000114.1D19 Q20 D24 Y27 K28 H31D19-W22 WeakPolarHBondContact O-CB 3.43Å; D19-W22 PolarHBondContact O-N 3.11Å; D19-W22 VanDerWaalsContact O-N 3.14Å; Q20-W22 PolarHBondContact O-N 2.68Å; W22-D24 VanDerWaalsContact C-N 3.33Å; W22-Y27 HydrophobicContact CD2-CD1 4.42Å; W22-Y27 HydrophobicContact CD2-CE1 4.07Å; W22-Y27 HydrophobicContact CE3-CD1 4.37Å; W22-Y27 HydrophobicContact CE3-CE1 4.3Å; W22-Y27 HydrophobicContact CZ2-CE1 4.39Å; W22-K28 HydrophobicContact CE3-CG 4.44Å; W22-H31 HydrophobicContact CH2-CB 3.7Å; W22-H31 HydrophobicContact CZ3-CB 3.86Å
23H95.6Very high95.2Very high147 Ų147101.5 Ų101.568%0.68147%0.471SS*.THydrogen-bonded Turntrans-79.1-16.4171.3-61.2-60.9000112.8Q20 K21 K25Q20-H23 PolarHBondContact O-N 3.34Å; Q20-H23 VanDerWaalsContact O-N 3.14Å; K21-H23 PolarHBondContact O-N 2.83Å; H23-K25 PolarHBondContact O-N 2.88Å
24D96.3Very high95Very high87 Ų87100.5 Ų100.547%0.46547%0.468SS..SBendtrans-74.3117.3169.9-179.5-17.2000109.9K21 W22 Q26 Y27 K28K21-D24 WeakPolarHBondContact O-CB 3.42Å; K21-D24 PolarHBondContact O-N 2.86Å; K21-D24 VanDerWaalsContact O-N 3.11Å; W22-D24 VanDerWaalsContact C-N 3.33Å; D24-Q26 VanDerWaalsContact C-N 3.3Å; D24-Q26 PolarHBondContact O-N 2.73Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.44Å; D24-Q26 PolarHBondContact OD1-N 3.44Å; D24-Y27 PolarHBondContact O-N 2.84Å; D24-Y27 PolarHBondContact OD1-N 2.76Å; D24-K28 WeakPolarHBondContact O-CB 3.21Å; D24-K28 PolarHBondContact O-N 3Å
25K94.7Very high94.6Very high137 Ų13793.5 Ų93.560%0.59645%0.454SS*.Hα-helixtrans-58.1-38.4-179.9-176.8177.1-178.7176.40112.9H23 K29H23-K25 PolarHBondContact O-N 2.88Å; K25-K29 WeakPolarHBondContact O-CB 3.41Å; K25-K29 WeakPolarHBondContact O-CG 3.13Å; K25-K29 PolarHBondContact O-N 3.23Å
26Q94Very high94.4Very high143 Ų14397.5 Ų97.567%0.66847%0.471SS*.Hα-helixtrans-70.1-45.9179.9180170.7-17.600110.3D24 K28 K29 A30D24-Q26 VanDerWaalsContact C-N 3.3Å; D24-Q26 PolarHBondContact O-N 2.73Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.44Å; D24-Q26 PolarHBondContact OD1-N 3.44Å; Q26-K28 PolarHBondContact O-N 3.46Å; Q26-K29 PolarHBondContact O-N 3.08Å; Q26-A30 WeakPolarHBondContact O-CB 3.41Å; Q26-A30 PolarHBondContact O-N 3.37Å
27Y96Very high94.1Very high51 Ų51100 Ų10020%0.248%0.48CS..Hα-helixtrans-57.4-50.2175-174.6-89.8000110.8K21 W22 D24 K29 A30 H31K21-Y27 HydrophobicContact CB-CD1 3.93Å; K21-Y27 HydrophobicContact CB-CD2 4.23Å; K21-Y27 HydrophobicContact CB-CE1 3.89Å; K21-Y27 HydrophobicContact CB-CE2 4.18Å; K21-Y27 HydrophobicContact CB-CG 4.1Å; K21-Y27 HydrophobicContact CD-CD2 4.12Å; K21-Y27 HydrophobicContact CD-CE2 3.66Å; K21-Y27 HydrophobicContact CG-CD2 4.4Å; K21-Y27 HydrophobicContact CG-CE2 4.34Å; K21-Y27 WeakPolarHBondContact O-CB 3.43Å; K21-Y27 VanDerWaalsContact O-CD1 3.26Å; K21-Y27 WeakPolarHBondContact O-CD1 3.28Å; W22-Y27 HydrophobicContact CD2-CD1 4.42Å; W22-Y27 HydrophobicContact CD2-CE1 4.07Å; W22-Y27 HydrophobicContact CE3-CD1 4.37Å; W22-Y27 HydrophobicContact CE3-CE1 4.3Å; W22-Y27 HydrophobicContact CZ2-CE1 4.39Å; D24-Y27 PolarHBondContact O-N 2.84Å; D24-Y27 PolarHBondContact OD1-N 2.76Å; Y27-K29 PolarHBondContact O-N 3.04Å; Y27-A30 PolarHBondContact O-N 3.31Å; Y27-H31 AromaticContact CD1-ND1 3.68Å; Y27-H31 AromaticContact CD2-CE1 3.34Å; Y27-H31 WeakPolarHBondContact CD2-CE1 2.8Å; Y27-H31 AromaticContact CD2-ND1 3.68Å; Y27-H31 AromaticContact CE1-CE1 3.79Å; Y27-H31 AromaticContact CE1-CG 3.88Å; Y27-H31 AromaticContact CE1-ND1 3.6Å; Y27-H31 AromaticContact CE2-CE1 2.99Å; Y27-H31 WeakPolarHBondContact CE2-CE1 3.27Å; Y27-H31 AromaticContact CE2-ND1 3.62Å; Y27-H31 AromaticContact CE2-NE2 3.46Å; Y27-H31 WeakPolarHBondContact CE2-NE2 3.39Å; Y27-H31 AromaticContact CG-CE1 3.88Å; Y27-H31 AromaticContact CG-ND1 3.72Å; Y27-H31 AromaticContact CZ-CD2 3.84Å; Y27-H31 AromaticContact CZ-CE1 3.25Å; Y27-H31 AromaticContact CZ-CG 3.95Å; Y27-H31 AromaticContact CZ-ND1 3.58Å; Y27-H31 AromaticContact CZ-NE2 3.38Å; Y27-H31 PolarHBondContact O-N 2.92Å; Y27-H31 PolarHBondContact O-ND1 2.98Å; Y27-H31 PolarHBondContact OH-NE2 2.89Å
28K95.9Very high93.9Very high107 Ų10795.7 Ų95.747%0.46548%0.478SS..Hα-helixtrans-58.2-47.2178.9-175.6173-178.21750112.3W22 D24 Q26 A30 H31 L32W22-K28 HydrophobicContact CE3-CG 4.44Å; D24-K28 WeakPolarHBondContact O-CB 3.21Å; D24-K28 PolarHBondContact O-N 3Å; Q26-K28 PolarHBondContact O-N 3.46Å; K28-A30 VanDerWaalsContact C-N 3.34Å; K28-A30 PolarHBondContact O-N 2.82Å; K28-H31 PolarHBondContact O-N 3.42Å; K28-L32 HydrophobicContact CD-CD1 4.34Å; K28-L32 HydrophobicContact CG-CD1 3.63Å; K28-L32 HydrophobicContact CG-CG 4.24Å; K28-L32 VanDerWaalsContact O-CB 3.32Å; K28-L32 WeakPolarHBondContact O-CB 3.26Å; K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.19Å; K28-L32 PolarHBondContact O-N 2.82Å
29K93.4Very high93.8Very high95 Ų9591.3 Ų91.341%0.41347%0.465SS..Hα-helixtrans-62.7-38.3178.9-81.5-172.2171.9-168.30113.1K25 Q26 Y27 G33 T34K25-K29 WeakPolarHBondContact O-CB 3.41Å; K25-K29 WeakPolarHBondContact O-CG 3.13Å; K25-K29 PolarHBondContact O-N 3.23Å; Q26-K29 PolarHBondContact O-N 3.08Å; Y27-K29 PolarHBondContact O-N 3.04Å; K29-G33 PolarHBondContact O-N 2.85Å; K29-T34 PolarHBondContact O-N 3.17Å
30A93Very high93.8Very high72 Ų7288.5 Ų88.560%0.59545%0.452SS*.Hα-helixtrans-66.5-48.8177.900000111.1Q26 Y27 K28 G33Q26-A30 WeakPolarHBondContact O-CB 3.41Å; Q26-A30 PolarHBondContact O-N 3.37Å; Y27-A30 PolarHBondContact O-N 3.31Å; K28-A30 VanDerWaalsContact C-N 3.34Å; K28-A30 PolarHBondContact O-N 2.82Å; A30-G33 PolarHBondContact O-N 2.84Å
31H94.2Very high93.8Very high105 Ų10584.7 Ų84.749%0.48643%0.434SS..Hα-helixtrans-75.5-27.1-175.6-67.573.7000113.4W22 Y27 K28 G33W22-H31 HydrophobicContact CH2-CB 3.7Å; W22-H31 HydrophobicContact CZ3-CB 3.86Å; Y27-H31 AromaticContact CD1-ND1 3.68Å; Y27-H31 AromaticContact CD2-CE1 3.34Å; Y27-H31 WeakPolarHBondContact CD2-CE1 2.8Å; Y27-H31 AromaticContact CD2-ND1 3.68Å; Y27-H31 AromaticContact CE1-CE1 3.79Å; Y27-H31 AromaticContact CE1-CG 3.88Å; Y27-H31 AromaticContact CE1-ND1 3.6Å; Y27-H31 AromaticContact CE2-CE1 2.99Å; Y27-H31 WeakPolarHBondContact CE2-CE1 3.27Å; Y27-H31 AromaticContact CE2-ND1 3.62Å; Y27-H31 AromaticContact CE2-NE2 3.46Å; Y27-H31 WeakPolarHBondContact CE2-NE2 3.39Å; Y27-H31 AromaticContact CG-CE1 3.88Å; Y27-H31 AromaticContact CG-ND1 3.72Å; Y27-H31 AromaticContact CZ-CD2 3.84Å; Y27-H31 AromaticContact CZ-CE1 3.25Å; Y27-H31 AromaticContact CZ-CG 3.95Å; Y27-H31 AromaticContact CZ-ND1 3.58Å; Y27-H31 AromaticContact CZ-NE2 3.38Å; Y27-H31 PolarHBondContact O-N 2.92Å; Y27-H31 PolarHBondContact O-ND1 2.98Å; Y27-H31 PolarHBondContact OH-NE2 2.89Å; K28-H31 PolarHBondContact O-N 3.42Å; H31-G33 VanDerWaalsContact C-N 3.26Å
32L94.2Very high93.6Very high85 Ų8582.6 Ų82.645%0.44544%0.435SS..THydrogen-bonded Turntrans-79.7-7.4172.2-67.1179.2000113.3K28 T34K28-L32 HydrophobicContact CD-CD1 4.34Å; K28-L32 HydrophobicContact CG-CD1 3.63Å; K28-L32 HydrophobicContact CG-CG 4.24Å; K28-L32 VanDerWaalsContact O-CB 3.32Å; K28-L32 WeakPolarHBondContact O-CB 3.26Å; K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.19Å; K28-L32 PolarHBondContact O-N 2.82Å; L32-T34 VanDerWaalsContact C-N 3.25Å; L32-T34 PolarHBondContact O-N 2.85Å
33G92.4Very high93.3Very high19 Ų1979.7 Ų79.720%0.19644%0.438CS..THydrogen-bonded Turntrans64.128.8-178.200000113.4K29 A30 H31 A35 L36 K37K29-G33 PolarHBondContact O-N 2.85Å; A30-G33 PolarHBondContact O-N 2.84Å; H31-G33 VanDerWaalsContact C-N 3.26Å; G33-A35 PolarHBondContact O-N 3.15Å; G33-A35 VanDerWaalsContact O-N 3.13Å; G33-L36 PolarHBondContact O-N 3.38Å; G33-K37 PolarHBondContact O-N 2.83Å
34T91.5Very high93.2Very high52 Ų5274.9 Ų74.932%0.31942%0.424SS..Hα-helixtrans-58.2-31.8-175.5-49.40000112.1K29 L32 L36 A38K29-T34 PolarHBondContact O-N 3.17Å; L32-T34 VanDerWaalsContact C-N 3.25Å; L32-T34 PolarHBondContact O-N 2.85Å; T34-L36 VanDerWaalsContact C-N 3.26Å; T34-L36 PolarHBondContact O-N 2.84Å; T34-A38 HydrophobicContact CG2-CB 3.93Å; T34-A38 WeakPolarHBondContact O-CB 3.22Å; T34-A38 PolarHBondContact O-N 2.9Å
35A89Confident93.2Very high56 Ų5675.1 Ų75.146%0.46343%0.432SS..Hα-helixtrans-63.5-29177.600000113.4G33 N39 G42 G43G33-A35 PolarHBondContact O-N 3.15Å; G33-A35 VanDerWaalsContact O-N 3.13Å; A35-N39 WeakPolarHBondContact O-CB 3.39Å; A35-G42 CarbonylContact O-C 3.42Å; A35-G43 PolarHBondContact O-N 3.12Å
36L90.6Very high93.3Very high126 Ų12672.6 Ų72.666%0.6642%0.422SS*.Hα-helixtrans-88.9-42.2179.8-62.7169.5000111G33 T34G33-L36 PolarHBondContact O-N 3.38Å; T34-L36 VanDerWaalsContact C-N 3.26Å; T34-L36 PolarHBondContact O-N 2.84Å
37K89.6Confident93.4Very high165 Ų16566 Ų6672%0.71739%0.392SS*.Hα-helixtrans-78.1-51.6-174.5-63.4179.7178.2179.10113.1G33G33-K37 PolarHBondContact O-N 2.83Å
38A92.1Very high93.5Very high65 Ų6567.8 Ų67.854%0.53740%0.401SS..THydrogen-bonded Turntrans-96-26.6-168.100000113.6T34 P40T34-A38 HydrophobicContact CG2-CB 3.93Å; T34-A38 WeakPolarHBondContact O-CB 3.22Å; T34-A38 PolarHBondContact O-N 2.9Å; A38-P40 WeakPolarHBondContact O-CD 3.48Å
39N92.9Very high93.6Very high51 Ų5162.7 Ų62.727%0.27338%0.379SS..  trans-68.5128.3-179.6-170.9-11.7000110.2A35 F41 G42A35-N39 WeakPolarHBondContact O-CB 3.39Å; N39-F41 PolarHBondContact O-N 2.91Å; N39-F41 VanDerWaalsContact O-N 3.14Å; N39-F41 PolarHBondContact OD1-N 2.79Å; N39-G42 PolarHBondContact O-N 3.2Å
40P95Very high93.8Very high25 Ų2561.2 Ų61.216%0.16238%0.375CS..THydrogen-bonded Turntrans-54.3-31.1170.9-26.635.4000113A38 G42 L74 N77 K79 I81 F120A38-P40 WeakPolarHBondContact O-CD 3.48Å; P40-G42 VanDerWaalsContact C-N 3.33Å; P40-L74 HydrophobicContact CB-CD1 3.95Å; P40-L74 VanDerWaalsContact O-CD1 3.26Å; P40-L74 WeakPolarHBondContact O-CD1 3.38Å; P40-N77 PolarHBondContact O-ND2 2.88Å; P40-K79 HydrophobicContact CB-CD 4.5Å; P40-I81 HydrophobicContact CB-CG2 3.73Å; P40-I81 HydrophobicContact CG-CG2 4.04Å; P40-F120 HydrophobicContact CB-CZ 4.18Å; P40-F120 HydrophobicContact CG-CE2 4.17Å; P40-F120 HydrophobicContact CG-CZ 3.88Å
41F95.2Very high94.1Very high5 Ų557.8 Ų57.82%0.02235%0.346CS..THydrogen-bonded Turntrans-84.5-1178-67.93.7000113.8N39 G43 A44 A47 L74 K76 I81 V102 F120N39-F41 PolarHBondContact O-N 2.91Å; N39-F41 VanDerWaalsContact O-N 3.14Å; N39-F41 PolarHBondContact OD1-N 2.79Å; F41-G43 PolarHBondContact O-N 2.87Å; F41-A44 WeakPolarHBondContact CB-O 3.44Å; F41-A44 WeakPolarHBondContact O-CB 3.22Å; F41-A44 PolarHBondContact O-N 3.37Å; F41-A47 HydrophobicContact CD1-CB 3.55Å; F41-A47 HydrophobicContact CE1-CB 3.62Å; F41-A47 HydrophobicContact CG-CB 4.04Å; F41-A47 HydrophobicContact CZ-CB 4.15Å; F41-L74 HydrophobicContact CD1-CD1 3.95Å; F41-L74 HydrophobicContact CE1-CD1 4.23Å; F41-L74 HydrophobicContact CE1-CD2 4.27Å; F41-K76 VanDerWaalsContact C-NZ 3.26Å; F41-K76 PolarHBondContact O-NZ 3.07Å; F41-I81 HydrophobicContact CE1-CD1 3.9Å; F41-V102 HydrophobicContact CE1-CG1 4.47Å; F41-V102 HydrophobicContact CZ-CB 4.1Å; F41-V102 HydrophobicContact CZ-CG1 3.91Å; F41-F120 HydrophobicContact CD1-CE1 4.06Å; F41-F120 HydrophobicContact CD1-CZ 4.49Å; F41-F120 HydrophobicContact CD2-CE1 4.25Å; F41-F120 AromaticContact CE1-CD1 3.81Å; F41-F120 HydrophobicContact CE1-CD1 3.81Å; F41-F120 AromaticContact CE1-CE1 3.67Å; F41-F120 HydrophobicContact CE1-CE1 3.67Å; F41-F120 HydrophobicContact CE1-CG 4.49Å; F41-F120 HydrophobicContact CE1-CZ 4.25Å; F41-F120 AromaticContact CE2-CD1 3.87Å; F41-F120 HydrophobicContact CE2-CD1 3.87Å; F41-F120 AromaticContact CE2-CE1 3.9Å; F41-F120 HydrophobicContact CE2-CE1 3.9Å; F41-F120 HydrophobicContact CG-CE1 4.34Å; F41-F120 AromaticContact CZ-CD1 3.37Å; F41-F120 HydrophobicContact CZ-CD1 3.37Å; F41-F120 AromaticContact CZ-CE1 3.58Å; F41-F120 HydrophobicContact CZ-CE1 3.58Å; F41-F120 HydrophobicContact CZ-CG 4.23Å
42G92.2Very high94.2Very high35 Ų3555 Ų5536%0.36134%0.335SS..THydrogen-bonded Turntrans53.839.1179.100000113.4A35 N39 P40 A44A35-G42 CarbonylContact O-C 3.42Å; N39-G42 PolarHBondContact O-N 3.2Å; P40-G42 VanDerWaalsContact C-N 3.33Å; G42-A44 VanDerWaalsContact C-N 3.33Å; G42-A44 PolarHBondContact O-N 3.16Å
43G91.3Very high94.4Very high46 Ų4654.2 Ų54.247%0.47433%0.329SS..THydrogen-bonded Turntrans86.1-12.7-179.600000116A35 F41A35-G43 PolarHBondContact O-N 3.12Å; F41-G43 PolarHBondContact O-N 2.87Å
44A94.6Very high94.6Very high46 Ų4657 Ų5738%0.3834%0.336SS..  trans-72156.1177.200000112.8F41 G42F41-A44 WeakPolarHBondContact CB-O 3.44Å; F41-A44 WeakPolarHBondContact O-CB 3.22Å; F41-A44 PolarHBondContact O-N 3.37Å; G42-A44 VanDerWaalsContact C-N 3.33Å; G42-A44 PolarHBondContact O-N 3.16Å
45S95.2Very high94.9Very high92 Ų9256.2 Ų56.264%0.64333%0.331SS*.SBendtrans-73.4-36.317758.90000112.9
46H96.8Very high95.3Very high84 Ų8456 Ų5639%0.38933%0.334SS..EExtended strand (participates in β ladder)trans-132.1160.6-178.5-6177.4000110.6L101 V102 A103H46-L101 HydrophobicContact CB-CD1 4.11Å; H46-L101 HydrophobicContact CB-CG 4.48Å; H46-V102 VanDerWaalsContact CA-O 3.31Å; H46-V102 WeakPolarHBondContact CA-O 3.41Å; H46-A103 VanDerWaalsContact CD2-CB 3.48Å; H46-A103 WeakPolarHBondContact CD2-CB 3.31Å
47A97.1Very high95.6Very high5 Ų551.1 Ų51.14%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-144.2140.7170.500000110.6F41 L74 V102F41-A47 HydrophobicContact CD1-CB 3.55Å; F41-A47 HydrophobicContact CE1-CB 3.62Å; F41-A47 HydrophobicContact CG-CB 4.04Å; F41-A47 HydrophobicContact CZ-CB 4.15Å; A47-L74 HydrophobicContact CB-CD1 4.32Å; A47-L74 HydrophobicContact CB-CD2 3.67Å; A47-V102 PolarHBondContact N-O 3.39Å; A47-V102 PolarHBondContact O-N 3.22Å
48K97.7Very high95.9Very high88 Ų8849.7 Ų49.738%0.38331%0.305SS..EExtended strand (participates in β ladder)trans-82.3143.5169.3-166.8-170.3-86.5-157.90109.5I75 E99 V100K48-I75 HydrophobicContact CB-CD1 4.31Å; K48-I75 HydrophobicContact CD-CD1 3.56Å; K48-I75 HydrophobicContact CG-CD1 3.79Å; K48-I75 PolarHBondContact O-N 2.87Å; K48-E99 WeakPolarHBondContact CD-OE2 3.41Å; K48-E99 WeakPolarHBondContact CE-OE2 3.45Å; K48-E99 IonicContact NZ-OE1 2.84Å; K48-E99 IonicContact NZ-OE2 3.87Å; K48-E99 PolarHBondContact NZ-OE2 3.33Å; K48-V100 WeakPolarHBondContact CA-O 3.26Å
49G97.7Very high96.2Very high0 Ų046.9 Ų46.90%028%0.282CS..EExtended strand (participates in β ladder)trans-152.4171.3174.300000112.3Q73 V100G49-Q73 CarbonylContact C-O 3.52Å; G49-Q73 WeakPolarHBondContact CA-O 3.39Å; G49-V100 PolarHBondContact N-O 3Å; G49-V100 WeakPolarHBondContact O-CG2 3.32Å; G49-V100 PolarHBondContact O-N 3.11Å
50I97.9Very high96.4Very high63 Ų6349.1 Ų49.132%0.32329%0.289SS..EExtended strand (participates in β ladder)trans-106.5135.3178.3-60.5170.7000108.1V72 Q73 I75 D98I50-V72 CarbonylContact O-C 3.5Å; I50-V72 VanDerWaalsContact O-CA 3.3Å; I50-V72 WeakPolarHBondContact O-CA 3.46Å; I50-Q73 PolarHBondContact N-O 3.41Å; I50-Q73 PolarHBondContact O-N 2.84Å; I50-I75 HydrophobicContact CD1-CG1 4.21Å; I50-I75 HydrophobicContact CG1-CD1 4.21Å; I50-I75 HydrophobicContact CG1-CG1 4.02Å; I50-D98 WeakPolarHBondContact CA-O 3.47Å
51V98.1Very high96.3Very high0 Ų055.2 Ų55.20%032%0.316CS..EExtended strand (participates in β ladder)trans-74.1129.7176.9178.80000109.9V70 V72 I94 N97 D98 V100V51-V70 HydrophobicContact CG1-CB 4.19Å; V51-V70 HydrophobicContact CG1-CG1 4.23Å; V51-V72 HydrophobicContact CG2-CG2 4.49Å; V51-I94 HydrophobicContact CB-CG2 4.41Å; V51-I94 HydrophobicContact CG1-CG2 4.19Å; V51-I94 HydrophobicContact CG2-CG2 3.73Å; V51-N97 WeakPolarHBondContact O-CA 3.44Å; V51-N97 PolarHBondContact O-N 3.29Å; V51-D98 HydrophobicContact CG2-CB 4.49Å; V51-D98 PolarHBondContact N-O 2.82Å; V51-V100 HydrophobicContact CG2-CB 4.34Å; V51-V100 HydrophobicContact CG2-CG1 3.54Å; V51-V100 HydrophobicContact CG2-CG2 3.82Å
52L97.9Very high96.4Very high47 Ų4760.8 Ų60.825%0.24635%0.352CS..EExtended strand (participates in β ladder)trans-95.8-50.8176.4-62.5179.6000111.8R71 Q73 K80L52-R71 HydrophobicContact CB-CB 4.34Å; L52-R71 PolarHBondContact N-O 2.83Å; L52-Q73 HydrophobicContact CD1-CB 4.14Å; L52-Q73 HydrophobicContact CD2-CB 4.22Å; L52-Q73 HydrophobicContact CG-CB 4.19Å; L52-K80 HydrophobicContact CD1-CD 3.97Å; L52-K80 HydrophobicContact CD1-CG 4.06Å
53E97.6Very high96.7Very high69 Ų6962.5 Ų62.532%0.32235%0.353SS..EExtended strand (participates in β ladder)trans-154.7152.9-176.459.8-177.7-140.500110.4V55 V70 R71E53-V55 HydrophobicContact CG-CG2 3.87Å; E53-V70 WeakPolarHBondContact O-CA 3.09Å; E53-R71 HydrophobicContact CG-CB 3.79Å; E53-R71 HydrophobicContact CG-CG 4.31Å; E53-R71 PolarHBondContact O-N 3.05Å; E53-R71 WeakPolarHBondContact OE1-CD 3.44Å; E53-R71 IonicContact OE1-CZ 3.34Å; E53-R71 IonicContact OE1-NE 3.19Å; E53-R71 PolarHBondContact OE1-NE 2.87Å; E53-R71 IonicContact OE1-NH1 3.6Å; E53-R71 PolarHBondContact OE1-NH1 2.83Å; E53-R71 IonicContact OE2-CZ 2.76Å; E53-R71 IonicContact OE2-NE 3.17Å; E53-R71 IonicContact OE2-NH1 2.85Å; E53-R71 PolarHBondContact OE2-NH1 2.96Å; E53-R71 IonicContact OE2-NH2 3.81Å
54K97.5Very high96.8Very high76 Ų7666.1 Ų66.133%0.3337%0.371SS..EExtended strand (participates in β ladder)trans-83.6127.9171.2-63.7172.3177.9171.80108.6V70 L91 I94 E95K54-V70 HydrophobicContact CG-CG1 4.49Å; K54-L91 HydrophobicContact CB-CD1 4.38Å; K54-L91 HydrophobicContact CD-CD1 4.34Å; K54-L91 HydrophobicContact CD-CD2 4.5Å; K54-L91 HydrophobicContact CD-CG 4.27Å; K54-L91 HydrophobicContact CG-CD1 4.07Å; K54-I94 WeakPolarHBondContact CE-O 3.46Å; K54-I94 PolarHBondContact NZ-O 3Å; K54-E95 VanDerWaalsContact NZ-CD 3.31Å; K54-E95 IonicContact NZ-OE1 3.99Å; K54-E95 PolarHBondContact NZ-OE1 2.94Å; K54-E95 VanDerWaalsContact NZ-OE1 3.17Å; K54-E95 IonicContact NZ-OE2 2.74Å; K54-E95 PolarHBondContact NZ-OE2 3.35Å
55V96.9Very high96.9Very high37 Ų3765.5 Ų65.522%0.22437%0.366CS..EExtended strand (participates in β ladder)trans-124.5130.5-175.1-176.20000110.7E53 V57 C69 R71E53-V55 HydrophobicContact CG-CG2 3.87Å; V55-V57 HydrophobicContact CG1-CG2 4.16Å; V55-C69 PolarHBondContact N-O 2.89Å; V55-C69 CarbonylContact O-C 3.53Å; V55-C69 WeakPolarHBondContact O-CA 3.26Å; V55-C69 PolarHBondContact O-N 2.82Å; V55-R71 HydrophobicContact CG2-CB 4.39Å; V55-R71 HydrophobicContact CG2-CG 3.99Å
56G96.5Very high97Very high50 Ų5066.3 Ų66.352%0.51536%0.362SS..EExtended strand (participates in β ladder)trans-89121.5165.700000110.6
57V96.8Very high97Very high24 Ų2466.2 Ų66.215%0.14536%0.358CS..EExtended strand (participates in β ladder)trans-107123.9175.3-178.60000108.9V55 R67 C69 I115 P116 V118V55-V57 HydrophobicContact CG1-CG2 4.16Å; V57-R67 PolarHBondContact N-O 2.74Å; V57-R67 WeakPolarHBondContact O-CB 3.27Å; V57-R67 PolarHBondContact O-N 3.35Å; V57-C69 HydrophobicContact CG2-CB 4.02Å; V57-I115 HydrophobicContact CG1-CG2 4.28Å; V57-P116 HydrophobicContact CG1-CG 3.68Å; V57-V118 HydrophobicContact CG2-CG2 4.28Å
58E97.3Very high97Very high135 Ų13571 Ų7163%0.63138%0.378SS*.EExtended strand (participates in β ladder)trans-66.5138.6176.1-163.4176.3175.600111.2P116E58-P116 WeakPolarHBondContact O-CD 3.47Å; E58-P116 WeakPolarHBondContact O-CG 3.4Å
59A97.7Very high97Very high7 Ų766.8 Ų66.86%0.05836%0.36CS..PPolyproline II helixtrans-68.6151.6176.600000111.4N63 A65 D114A59-N63 HydrophobicContact CB-CB 4.11Å; A59-A65 HydrophobicContact CB-CB 4.16Å; A59-A65 WeakPolarHBondContact CB-O 3.49Å; A59-A65 PolarHBondContact N-O 2.69Å; A59-D114 HydrophobicContact CB-CB 4.32Å
60K96.8Very high97Very high98 Ų9866.8 Ų66.843%0.42636%0.36SS..PPolyproline II helixtrans-68.2143.3169.3-68.4174.8-172.41710110.3N63 D114 P116K60-N63 WeakPolarHBondContact O-CB 3.39Å; K60-N63 PolarHBondContact O-N 2.92Å; K60-N63 VanDerWaalsContact O-N 3.09Å; K60-D114 HydrophobicContact CB-CB 4.36Å; K60-D114 WeakPolarHBondContact CG-O 3.4Å; K60-D114 PolarHBondContact N-O 2.89Å; K60-P116 HydrophobicContact CG-CB 4.25Å
61Q94.5Very high97Very high152 Ų15267.8 Ų67.871%0.7136%0.36SS*.THydrogen-bonded Turntrans-52.4140.2165.6-62.1-58.5-40.500110.3
62P96.7Very high97Very high122 Ų12267.8 Ų67.879%0.79236%0.36SS*.THydrogen-bonded Turncis-88.37.512.136.9-38.3000115.1
63N97.2Very high97.1Very high71 Ų7169 Ų6938%0.3836%0.364SS..  trans-85.8147.5-175.9-61.8-17.1000111.2A59 K60 D114A59-N63 HydrophobicContact CB-CB 4.11Å; K60-N63 WeakPolarHBondContact O-CB 3.39Å; K60-N63 PolarHBondContact O-N 2.92Å; K60-N63 VanDerWaalsContact O-N 3.09Å; N63-D114 PolarHBondContact ND2-OD2 3.2Å
64S95.2Very high97.1Very high123 Ų12365.8 Ų65.886%0.8635%0.349SS*.  trans-116.3107.4169-177.20000109.4
65A96.1Very high97Very high33 Ų3366.4 Ų66.427%0.27336%0.355SS..  trans-165152.8176.500000111.3A59A59-A65 HydrophobicContact CB-CB 4.16Å; A59-A65 WeakPolarHBondContact CB-O 3.49Å; A59-A65 PolarHBondContact N-O 2.69Å
66I96.5Very high96.9Very high108 Ų10869.6 Ų69.655%0.55437%0.366SS*.EExtended strand (participates in β ladder)trans-100.8108.2167.7-59.4175.2000108.7K68I66-K68 PolarHBondContact O-N 2.92Å
67R97.1Very high96.9Very high82 Ų8270.3 Ų70.331%0.30936%0.358SS..EExtended strand (participates in β ladder)trans-78117.9177.7-60.1-67.7-176.3-153.5-2.8109.8V57 C69 F84 D114 I115V57-R67 PolarHBondContact N-O 2.74Å; V57-R67 WeakPolarHBondContact O-CB 3.27Å; V57-R67 PolarHBondContact O-N 3.35Å; R67-C69 PolarHBondContact O-N 3.16Å; R67-F84 HydrophobicContact CB-CD2 4.45Å; R67-F84 HydrophobicContact CB-CE2 4.19Å; R67-D114 IonicContact CZ-OD1 3.19Å; R67-D114 IonicContact CZ-OD2 3.67Å; R67-D114 IonicContact NE-OD1 3.35Å; R67-D114 PolarHBondContact NE-OD1 3.43Å; R67-D114 VanDerWaalsContact NE-OD1 3.11Å; R67-D114 IonicContact NE-OD2 3.11Å; R67-D114 PolarHBondContact NE-OD2 2.99Å; R67-D114 IonicContact NH2-OD1 2.69Å; R67-D114 PolarHBondContact NH2-OD1 3.43Å; R67-D114 IonicContact NH2-OD2 3.47Å; R67-D114 PolarHBondContact NH2-OD2 2.85Å; R67-I115 HydrophobicContact CB-CD1 4.47Å; R67-I115 HydrophobicContact CB-CG1 4.48Å; R67-I115 HydrophobicContact CB-CG2 4.17Å; R67-I115 HydrophobicContact CG-CD1 4.38Å; R67-I115 HydrophobicContact CG-CG1 4.03Å; R67-I115 HydrophobicContact CG-CG2 4.4Å
68K97.6Very high96.8Very high106 Ų10670.9 Ų70.946%0.46137%0.368SS..EExtended strand (participates in β ladder)trans-72.3117.1-179.5-55.8-54.1-177.3175.40110.4I66 F84 V85 L91I66-K68 PolarHBondContact O-N 2.92Å; K68-F84 VanDerWaalsContact O-CD2 3.27Å; K68-F84 WeakPolarHBondContact O-CD2 3.43Å; K68-V85 PolarHBondContact O-N 3.42Å; K68-L91 HydrophobicContact CB-CB 4.41Å; K68-L91 HydrophobicContact CB-CD2 4.12Å; K68-L91 HydrophobicContact CD-CD2 4.03Å; K68-L91 HydrophobicContact CG-CD2 4.21Å
69C97.5Very high96.8Very high0 Ų068.4 Ų68.40%036%0.356CS..EExtended strand (participates in β ladder)trans-128.9169.2-179.6-600000110.1V55 V57 R67 T82 A83V55-C69 PolarHBondContact N-O 2.89Å; V55-C69 CarbonylContact O-C 3.53Å; V55-C69 WeakPolarHBondContact O-CA 3.26Å; V55-C69 PolarHBondContact O-N 2.82Å; V57-C69 HydrophobicContact CG2-CB 4.02Å; R67-C69 PolarHBondContact O-N 3.16Å; C69-T82 HydrophobicContact CB-CG2 3.79Å; C69-A83 CarbonylContact C-O 3.59Å; C69-A83 VanDerWaalsContact CA-O 3.26Å; C69-A83 WeakPolarHBondContact CA-O 3.5Å; C69-A83 WeakPolarHBondContact CB-O 3.48Å
70V97.9Very high96.8Very high0 Ų074.5 Ų74.50%038%0.381CS..EExtended strand (participates in β ladder)trans-131.8142.1173.3-72.10000109.2V51 E53 K54 V72 T82 A83 V85 L91 I94 V122V51-V70 HydrophobicContact CG1-CB 4.19Å; V51-V70 HydrophobicContact CG1-CG1 4.23Å; E53-V70 WeakPolarHBondContact O-CA 3.09Å; K54-V70 HydrophobicContact CG-CG1 4.49Å; V70-V72 HydrophobicContact CB-CG2 4.43Å; V70-V72 HydrophobicContact CG2-CG2 3.8Å; V70-T82 WeakPolarHBondContact O-CA 3.48Å; V70-A83 HydrophobicContact CG2-CB 4.32Å; V70-A83 PolarHBondContact N-O 2.83Å; V70-A83 PolarHBondContact O-N 3.45Å; V70-V85 HydrophobicContact CG1-CG2 3.97Å; V70-V85 HydrophobicContact CG2-CG2 4.08Å; V70-L91 HydrophobicContact CG1-CD1 3.94Å; V70-I94 HydrophobicContact CG1-CG2 4.21Å; V70-V122 HydrophobicContact CG2-CG2 3.72Å
71R98.3Very high96.8Very high84 Ų8470.4 Ų70.432%0.31736%0.363SS..EExtended strand (participates in β ladder)trans-84.1127.6165.9-93.4168.154.8178.8-1.1108.5L52 E53 V55 I81L52-R71 HydrophobicContact CB-CB 4.34Å; L52-R71 PolarHBondContact N-O 2.83Å; E53-R71 HydrophobicContact CG-CB 3.79Å; E53-R71 HydrophobicContact CG-CG 4.31Å; E53-R71 PolarHBondContact O-N 3.05Å; E53-R71 WeakPolarHBondContact OE1-CD 3.44Å; E53-R71 IonicContact OE1-CZ 3.34Å; E53-R71 IonicContact OE1-NE 3.19Å; E53-R71 PolarHBondContact OE1-NE 2.87Å; E53-R71 IonicContact OE1-NH1 3.6Å; E53-R71 PolarHBondContact OE1-NH1 2.83Å; E53-R71 IonicContact OE2-CZ 2.76Å; E53-R71 IonicContact OE2-NE 3.17Å; E53-R71 IonicContact OE2-NH1 2.85Å; E53-R71 PolarHBondContact OE2-NH1 2.96Å; E53-R71 IonicContact OE2-NH2 3.81Å; V55-R71 HydrophobicContact CG2-CB 4.39Å; V55-R71 HydrophobicContact CG2-CG 3.99Å; R71-I81 WeakPolarHBondContact CA-O 3.46Å
72V98.3Very high96.9Very high0 Ų065.5 Ų65.50%034%0.344CS..EExtended strand (participates in β ladder)trans-124.2129.6-175.3-178.50000108.8I50 V51 V70 K80 I81 A83 V100 V102I50-V72 CarbonylContact O-C 3.5Å; I50-V72 VanDerWaalsContact O-CA 3.3Å; I50-V72 WeakPolarHBondContact O-CA 3.46Å; V51-V72 HydrophobicContact CG2-CG2 4.49Å; V70-V72 HydrophobicContact CB-CG2 4.43Å; V70-V72 HydrophobicContact CG2-CG2 3.8Å; V72-K80 CarbonylContact O-C 3.58Å; V72-K80 WeakPolarHBondContact O-CA 3.31Å; V72-I81 HydrophobicContact CB-CG1 4.06Å; V72-I81 PolarHBondContact N-O 2.84Å; V72-I81 WeakPolarHBondContact O-CG1 3.29Å; V72-I81 PolarHBondContact O-N 3.14Å; V72-A83 HydrophobicContact CG2-CB 4.3Å; V72-V100 HydrophobicContact CB-CG2 4.45Å; V72-V100 HydrophobicContact CG1-CG2 3.72Å; V72-V100 HydrophobicContact CG2-CG2 3.8Å; V72-V102 HydrophobicContact CG1-CG2 4.06Å; V72-V102 HydrophobicContact CG2-CG2 4.34Å
73Q98.2Very high97Very high73 Ų7359.7 Ų59.734%0.34131%0.306SS..EExtended strand (participates in β ladder)trans-93.4119.8167.8-172.4169.2-0.300109.3G49 I50 L52 I75G49-Q73 CarbonylContact C-O 3.52Å; G49-Q73 WeakPolarHBondContact CA-O 3.39Å; I50-Q73 PolarHBondContact N-O 3.41Å; I50-Q73 PolarHBondContact O-N 2.84Å; L52-Q73 HydrophobicContact CD1-CB 4.14Å; L52-Q73 HydrophobicContact CD2-CB 4.22Å; L52-Q73 HydrophobicContact CG-CB 4.19Å; Q73-I75 PolarHBondContact O-N 2.81Å
74L98Very high97Very high0 Ų058.2 Ų58.20%030%0.296CS..EExtended strand (participates in β ladder)trans-70.3128.8178.6-64.6-176.8000110.6P40 F41 A47 K76 N77 G78 K79 I81P40-L74 HydrophobicContact CB-CD1 3.95Å; P40-L74 VanDerWaalsContact O-CD1 3.26Å; P40-L74 WeakPolarHBondContact O-CD1 3.38Å; F41-L74 HydrophobicContact CD1-CD1 3.95Å; F41-L74 HydrophobicContact CE1-CD1 4.23Å; F41-L74 HydrophobicContact CE1-CD2 4.27Å; A47-L74 HydrophobicContact CB-CD1 4.32Å; A47-L74 HydrophobicContact CB-CD2 3.67Å; L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 3.4Å; L74-N77 VanDerWaalsContact CB-OD1 3.27Å; L74-N77 WeakPolarHBondContact CB-OD1 3.48Å; L74-G78 VanDerWaalsContact O-CA 3.28Å; L74-G78 WeakPolarHBondContact O-CA 3.48Å; L74-G78 PolarHBondContact O-N 2.83Å; L74-K79 PolarHBondContact N-O 2.8Å; L74-I81 HydrophobicContact CD1-CD1 4.35Å; L74-I81 HydrophobicContact CD1-CG2 4.46Å; L74-I81 HydrophobicContact CD2-CD1 3.72Å; L74-I81 HydrophobicContact CD2-CG1 4.32Å; L74-I81 HydrophobicContact CG-CD1 4.12Å; L74-I81 HydrophobicContact CG-CG1 4.37Å
75I97Very high97.1Very high89 Ų8952.5 Ų52.546%0.45626%0.256SS..THydrogen-bonded Turntrans-62.5-40.2-177.3-67.9166.2000111.1K48 I50 Q73 N77K48-I75 HydrophobicContact CB-CD1 4.31Å; K48-I75 HydrophobicContact CD-CD1 3.56Å; K48-I75 HydrophobicContact CG-CD1 3.79Å; K48-I75 PolarHBondContact O-N 2.87Å; I50-I75 HydrophobicContact CD1-CG1 4.21Å; I50-I75 HydrophobicContact CG1-CD1 4.21Å; I50-I75 HydrophobicContact CG1-CG1 4.02Å; Q73-I75 PolarHBondContact O-N 2.81Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 3.19Å
76K94.6Very high97.2Very high105 Ų10552.3 Ų52.346%0.45725%0.252SS..THydrogen-bonded Turntrans-68.6-24-172.769.4-177.9176.7-165.90115.9F41 L74F41-K76 VanDerWaalsContact C-NZ 3.26Å; F41-K76 PolarHBondContact O-NZ 3.07Å; L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 3.4Å
77N94.9Very high97.1Very high65 Ų6551 Ų5135%0.34825%0.247SC..THydrogen-bonded Turntrans-147.55.2-172.161.610.9000114.1P40 L74 I75 K79P40-N77 PolarHBondContact O-ND2 2.88Å; L74-N77 VanDerWaalsContact CB-OD1 3.27Å; L74-N77 WeakPolarHBondContact CB-OD1 3.48Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 3.19Å; N77-K79 HydrophobicContact CB-CG 4.49Å; N77-K79 PolarHBondContact O-N 2.68Å; N77-K79 WeakPolarHBondContact OD1-CB 3.04Å; N77-K79 PolarHBondContact OD1-N 3.21Å
78G95.6Very high97Very high35 Ų3553.9 Ų53.936%0.36127%0.268SS..  trans654.1179.300000115.2L74 K80L74-G78 VanDerWaalsContact O-CA 3.28Å; L74-G78 WeakPolarHBondContact O-CA 3.48Å; L74-G78 PolarHBondContact O-N 2.83Å; G78-K80 PolarHBondContact O-N 2.93Å
79K96.6Very high96.8Very high84 Ų8450.5 Ų50.537%0.36526%0.263SS..  trans-69.3130.7-178.6-69.4-175.7179.1-179.90109.9P40 L74 N77P40-K79 HydrophobicContact CB-CD 4.5Å; L74-K79 PolarHBondContact N-O 2.8Å; N77-K79 HydrophobicContact CB-CG 4.49Å; N77-K79 PolarHBondContact O-N 2.68Å; N77-K79 WeakPolarHBondContact OD1-CB 3.04Å; N77-K79 PolarHBondContact OD1-N 3.21Å
80K97.5Very high96.8Very high135 Ų13550.5 Ų50.559%0.58726%0.263SS*.EExtended strand (participates in β ladder)trans-83.8129.3174-62.6178.7-177.7178.60109.5L52 V72 G78L52-K80 HydrophobicContact CD1-CD 3.97Å; L52-K80 HydrophobicContact CD1-CG 4.06Å; V72-K80 CarbonylContact O-C 3.58Å; V72-K80 WeakPolarHBondContact O-CA 3.31Å; G78-K80 PolarHBondContact O-N 2.93Å
81I97.2Very high96.7Very high12 Ų1252 Ų526%0.06227%0.271CS..EExtended strand (participates in β ladder)trans-132.4156.1177.362.2170.2000110.1P40 F41 R71 V72 L74 V102 F120P40-I81 HydrophobicContact CB-CG2 3.73Å; P40-I81 HydrophobicContact CG-CG2 4.04Å; F41-I81 HydrophobicContact CE1-CD1 3.9Å; R71-I81 WeakPolarHBondContact CA-O 3.46Å; V72-I81 HydrophobicContact CB-CG1 4.06Å; V72-I81 PolarHBondContact N-O 2.84Å; V72-I81 WeakPolarHBondContact O-CG1 3.29Å; V72-I81 PolarHBondContact O-N 3.14Å; L74-I81 HydrophobicContact CD1-CD1 4.35Å; L74-I81 HydrophobicContact CD1-CG2 4.46Å; L74-I81 HydrophobicContact CD2-CD1 3.72Å; L74-I81 HydrophobicContact CD2-CG1 4.32Å; L74-I81 HydrophobicContact CG-CD1 4.12Å; L74-I81 HydrophobicContact CG-CG1 4.37Å; I81-V102 HydrophobicContact CD1-CG1 4Å; I81-F120 HydrophobicContact CB-CD2 4.12Å; I81-F120 HydrophobicContact CB-CE2 4.17Å; I81-F120 HydrophobicContact CD1-CD2 3.92Å; I81-F120 HydrophobicContact CD1-CE2 4.29Å; I81-F120 HydrophobicContact CD1-CG 4.19Å; I81-F120 HydrophobicContact CG2-CD2 4.46Å; I81-F120 HydrophobicContact CG2-CE2 4.02Å
82T97.7Very high96.5Very high49 Ų4953.9 Ų53.930%0.30129%0.287SS..EExtended strand (participates in β ladder)trans-99.8129.9168.5-49.10000109.1C69 V70 V118C69-T82 HydrophobicContact CB-CG2 3.79Å; V70-T82 WeakPolarHBondContact O-CA 3.48Å; T82-V118 HydrophobicContact CG2-CG2 3.83Å
83A97.9Very high96.3Very high0 Ų057 Ų570%030%0.301CS..EExtended strand (participates in β ladder)trans-122.5137176.700000110.6C69 V70 V72 V102 F120 V122C69-A83 CarbonylContact C-O 3.59Å; C69-A83 VanDerWaalsContact CA-O 3.26Å; C69-A83 WeakPolarHBondContact CA-O 3.5Å; C69-A83 WeakPolarHBondContact CB-O 3.48Å; V70-A83 HydrophobicContact CG2-CB 4.32Å; V70-A83 PolarHBondContact N-O 2.83Å; V70-A83 PolarHBondContact O-N 3.45Å; V72-A83 HydrophobicContact CG2-CB 4.3Å; A83-V102 HydrophobicContact CB-CG1 3.84Å; A83-V102 HydrophobicContact CB-CG2 4.49Å; A83-F120 WeakPolarHBondContact CA-O 3.38Å; A83-F120 HydrophobicContact CB-CB 4.18Å; A83-V122 HydrophobicContact CB-CG2 4.09Å
84F98Very high96.2Very high39 Ų3953.5 Ų53.517%0.17128%0.284CS..EExtended strand (participates in β ladder)trans-76.4142.7175.1177.7-116.4000111.1R67 K68 P86 F105 I115 V118 F120 K121 V122R67-F84 HydrophobicContact CB-CD2 4.45Å; R67-F84 HydrophobicContact CB-CE2 4.19Å; K68-F84 VanDerWaalsContact O-CD2 3.27Å; K68-F84 WeakPolarHBondContact O-CD2 3.43Å; F84-P86 HydrophobicContact CD1-CB 4.42Å; F84-P86 HydrophobicContact CE1-CB 4.18Å; F84-P86 WeakPolarHBondContact O-CD 3.42Å; F84-F105 HydrophobicContact CB-CE1 4.4Å; F84-F105 HydrophobicContact CB-CE2 4.23Å; F84-F105 HydrophobicContact CB-CZ 3.51Å; F84-F105 HydrophobicContact CD1-CE1 4.07Å; F84-F105 AromaticContact CD1-CZ 3.84Å; F84-F105 HydrophobicContact CD1-CZ 3.84Å; F84-F105 AromaticContact CG-CZ 3.98Å; F84-F105 HydrophobicContact CG-CZ 3.98Å; F84-I115 HydrophobicContact CB-CD1 4.29Å; F84-I115 HydrophobicContact CD1-CD1 4.12Å; F84-I115 HydrophobicContact CD2-CD1 3.53Å; F84-I115 HydrophobicContact CE1-CD1 4.33Å; F84-I115 HydrophobicContact CE2-CD1 3.79Å; F84-I115 HydrophobicContact CG-CD1 3.71Å; F84-I115 HydrophobicContact CZ-CD1 4.18Å; F84-V118 HydrophobicContact CB-CG1 3.96Å; F84-F120 PolarHBondContact N-O 3.33Å; F84-K121 CarbonylContact O-C 3.56Å; F84-K121 VanDerWaalsContact O-CA 3.28Å; F84-K121 WeakPolarHBondContact O-CA 3.47Å; F84-V122 PolarHBondContact O-N 2.93Å
85V97.6Very high96.1Very high4 Ų457.4 Ų57.42%0.02430%0.303CS..  trans-98.4110.2172.7-175.80000108.3K68 V70 C90 L91 I94 V122 L130K68-V85 PolarHBondContact O-N 3.42Å; V70-V85 HydrophobicContact CG1-CG2 3.97Å; V70-V85 HydrophobicContact CG2-CG2 4.08Å; V85-C90 HydrophobicContact CG1-CB 3.53Å; V85-L91 HydrophobicContact CG2-CD1 4.05Å; V85-I94 HydrophobicContact CB-CD1 4.41Å; V85-I94 HydrophobicContact CG1-CD1 3.84Å; V85-I94 HydrophobicContact CG2-CD1 3.62Å; V85-V122 HydrophobicContact CG2-CG2 4.25Å; V85-L130 HydrophobicContact CG1-CD2 4.04Å
86P96.5Very high96Very high28 Ų2858.4 Ų58.418%0.18231%0.306CS..  trans-77.1156-177.131.5-35.9000113F84 C90 L130F84-P86 HydrophobicContact CD1-CB 4.42Å; F84-P86 HydrophobicContact CE1-CB 4.18Å; F84-P86 WeakPolarHBondContact O-CD 3.42Å; P86-C90 WeakPolarHBondContact O-CB 3.3Å; P86-C90 PolarHBondContact O-SG 3.43Å; P86-L130 HydrophobicContact CG-CD2 3.82Å
87N96Very high96Very high82 Ų8259.3 Ų59.344%0.43932%0.316SS..SBendtrans65.4161.6-177.4-46.1-36.1000113.9Y134N87-Y134 HydrophobicContact CB-CD1 4.31Å; N87-Y134 HydrophobicContact CB-CD2 3.98Å; N87-Y134 HydrophobicContact CB-CE1 4.23Å; N87-Y134 HydrophobicContact CB-CE2 3.92Å; N87-Y134 HydrophobicContact CB-CG 4.19Å
88D94.8Very high96Very high142 Ų14257.2 Ų57.276%0.75930%0.304SS*.THydrogen-bonded Turntrans-72.7147.8-178-168.820.7000112.1C90 Y134D88-C90 PolarHBondContact O-N 3.45Å; D88-Y134 WeakPolarHBondContact O-CE2 3.46Å
89G93.8Very high96.1Very high34 Ų3459.2 Ų59.235%0.35130%0.304SS..THydrogen-bonded Turntrans66.3-9.917900000116L91 N92G89-L91 PolarHBondContact O-N 3.38Å; G89-N92 VanDerWaalsContact O-CB 3.31Å; G89-N92 WeakPolarHBondContact O-CB 3.21Å; G89-N92 PolarHBondContact O-N 3.28Å
90C96.3Very high96.1Very high1 Ų155.3 Ų55.31%0.00729%0.287CS..G310 helixtrans-62.5-18.8-173.8-80.50000115V85 P86 D88 N92 F93 L130V85-C90 HydrophobicContact CG1-CB 3.53Å; P86-C90 WeakPolarHBondContact O-CB 3.3Å; P86-C90 PolarHBondContact O-SG 3.43Å; D88-C90 PolarHBondContact O-N 3.45Å; C90-N92 PolarHBondContact O-N 3.05Å; C90-F93 HydrophobicContact CB-CD2 4.43Å; C90-F93 PolarHBondContact O-N 3.26Å; C90-L130 HydrophobicContact CB-CD1 4.05Å; C90-L130 HydrophobicContact CB-CD2 4.11Å; C90-L130 HydrophobicContact CB-CG 4.26Å
91L95.4Very high96.2Very high32 Ų3251.1 Ų51.117%0.16827%0.271CS..G310 helixtrans-62.4-27.7174.1-170.867.7000111.7K54 K68 V70 V85 G89 F93 I94K54-L91 HydrophobicContact CB-CD1 4.38Å; K54-L91 HydrophobicContact CD-CD1 4.34Å; K54-L91 HydrophobicContact CD-CD2 4.5Å; K54-L91 HydrophobicContact CD-CG 4.27Å; K54-L91 HydrophobicContact CG-CD1 4.07Å; K68-L91 HydrophobicContact CB-CB 4.41Å; K68-L91 HydrophobicContact CB-CD2 4.12Å; K68-L91 HydrophobicContact CD-CD2 4.03Å; K68-L91 HydrophobicContact CG-CD2 4.21Å; V70-L91 HydrophobicContact CG1-CD1 3.94Å; V85-L91 HydrophobicContact CG2-CD1 4.05Å; G89-L91 PolarHBondContact O-N 3.38Å; L91-F93 PolarHBondContact O-N 3.48Å; L91-I94 PolarHBondContact O-N 3.36Å
92N95Very high96.2Very high123 Ų12350.5 Ų50.566%0.65827%0.268SS*.G310 helixtrans-70.8-17.8179.9-58.1-13.3000112.6G89 C90 I94G89-N92 VanDerWaalsContact O-CB 3.31Å; G89-N92 WeakPolarHBondContact O-CB 3.21Å; G89-N92 PolarHBondContact O-N 3.28Å; C90-N92 PolarHBondContact O-N 3.05Å; N92-I94 VanDerWaalsContact C-N 3.33Å
93F94.4Very high96.2Very high64 Ų6448.4 Ų48.428%0.28126%0.256SS..G310 helixtrans-83.7-12176.2-63.2-57.2000113.4C90 L91 L130 L133 R140C90-F93 HydrophobicContact CB-CD2 4.43Å; C90-F93 PolarHBondContact O-N 3.26Å; L91-F93 PolarHBondContact O-N 3.48Å; F93-L130 HydrophobicContact CB-CD1 4.24Å; F93-L130 HydrophobicContact CD2-CD1 4.12Å; F93-L133 HydrophobicContact CB-CD1 4.05Å; F93-L133 HydrophobicContact CD1-CB 4.22Å; F93-L133 HydrophobicContact CD1-CD1 4.5Å; F93-L133 HydrophobicContact CD2-CB 4.06Å; F93-L133 HydrophobicContact CE1-CB 4.27Å; F93-L133 HydrophobicContact CE2-CB 4.14Å; F93-L133 HydrophobicContact CG-CB 4.12Å; F93-L133 HydrophobicContact CG-CD1 4.2Å; F93-L133 HydrophobicContact CZ-CB 4.24Å; F93-R140 PolarHBondContact O-NH1 2.99Å; F93-R140 VanDerWaalsContact O-NH1 3.08Å
94I95.4Very high96.1Very high0 Ų049.9 Ų49.90%027%0.271CS..  trans-108.7128-175-60.8169.1000107.7V51 K54 V70 V85 L91 N92 V122 V125V51-I94 HydrophobicContact CB-CG2 4.41Å; V51-I94 HydrophobicContact CG1-CG2 4.19Å; V51-I94 HydrophobicContact CG2-CG2 3.73Å; K54-I94 WeakPolarHBondContact CE-O 3.46Å; K54-I94 PolarHBondContact NZ-O 3Å; V70-I94 HydrophobicContact CG1-CG2 4.21Å; V85-I94 HydrophobicContact CB-CD1 4.41Å; V85-I94 HydrophobicContact CG1-CD1 3.84Å; V85-I94 HydrophobicContact CG2-CD1 3.62Å; L91-I94 PolarHBondContact O-N 3.36Å; N92-I94 VanDerWaalsContact C-N 3.33Å; I94-V122 HydrophobicContact CD1-CG1 4.18Å; I94-V122 HydrophobicContact CD1-CG2 4.38Å; I94-V125 HydrophobicContact CD1-CG2 4.04Å; I94-V125 HydrophobicContact CG1-CB 4.43Å; I94-V125 HydrophobicContact CG1-CG1 4.05Å; I94-V125 HydrophobicContact CG1-CG2 3.52Å
95E94.9Very high95.9Very high83 Ų8350.2 Ų50.239%0.38827%0.272SS..  trans-109.7168.1167.9-65.7-50.8137.400112.1K54 D98K54-E95 VanDerWaalsContact NZ-CD 3.31Å; K54-E95 IonicContact NZ-OE1 3.99Å; K54-E95 PolarHBondContact NZ-OE1 2.94Å; K54-E95 VanDerWaalsContact NZ-OE1 3.17Å; K54-E95 IonicContact NZ-OE2 2.74Å; K54-E95 PolarHBondContact NZ-OE2 3.35Å; E95-D98 PolarHBondContact N-OD2 2.88Å; E95-D98 WeakPolarHBondContact O-CB 3.42Å; E95-D98 PolarHBondContact O-N 3.19Å
96E95.3Very high95.7Very high110 Ų11053.5 Ų53.551%0.51431%0.307SS..THydrogen-bonded Turntrans-62.3146.5169.6-65.3-179178.100110D98E96-D98 PolarHBondContact O-N 3.36Å; E96-D98 VanDerWaalsContact O-N 3.16Å
97N95.2Very high95.5Very high124 Ų12459.8 Ų59.866%0.66333%0.327SS*.THydrogen-bonded Turntrans65.42.5-174.2-51-51000116V51V51-N97 WeakPolarHBondContact O-CA 3.44Å; V51-N97 PolarHBondContact O-N 3.29Å
98D95.5Very high95.2Very high21 Ų2164.6 Ų64.611%0.11234%0.344CS..  trans-65143.6172.7-88.3-21.4000112I50 V51 E95 E96 V125 R140I50-D98 WeakPolarHBondContact CA-O 3.47Å; V51-D98 HydrophobicContact CG2-CB 4.49Å; V51-D98 PolarHBondContact N-O 2.82Å; E95-D98 PolarHBondContact N-OD2 2.88Å; E95-D98 WeakPolarHBondContact O-CB 3.42Å; E95-D98 PolarHBondContact O-N 3.19Å; E96-D98 PolarHBondContact O-N 3.36Å; E96-D98 VanDerWaalsContact O-N 3.16Å; D98-V125 HydrophobicContact CB-CG1 4.31Å; D98-R140 IonicContact OD1-CZ 3.42Å; D98-R140 IonicContact OD1-NH2 3.34Å; D98-R140 PolarHBondContact OD1-NH2 3.22Å; D98-R140 IonicContact OD2-CZ 2.68Å; D98-R140 IonicContact OD2-NH1 3.36Å; D98-R140 IonicContact OD2-NH2 3.89Å; D98-R140 PolarHBondContact OD2-NH2 3.32Å
99E96.5Very high95Very high77 Ų7760.1 Ų60.136%0.3633%0.331SS..EExtended strand (participates in β ladder)trans-75.6127.3164.7-67.9-162.9162.100111.2K48 A126K48-E99 WeakPolarHBondContact CD-OE2 3.41Å; K48-E99 WeakPolarHBondContact CE-OE2 3.45Å; K48-E99 IonicContact NZ-OE1 2.84Å; K48-E99 IonicContact NZ-OE2 3.87Å; K48-E99 PolarHBondContact NZ-OE2 3.33Å; E99-A126 PolarHBondContact O-N 2.95Å
100V97.7Very high95.1Very high2 Ų263.4 Ų63.41%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-125145.5177.2-66.20000111.9K48 G49 V51 V72 V102 V122 K124 V125K48-V100 WeakPolarHBondContact CA-O 3.26Å; G49-V100 PolarHBondContact N-O 3Å; G49-V100 WeakPolarHBondContact O-CG2 3.32Å; G49-V100 PolarHBondContact O-N 3.11Å; V51-V100 HydrophobicContact CG2-CB 4.34Å; V51-V100 HydrophobicContact CG2-CG1 3.54Å; V51-V100 HydrophobicContact CG2-CG2 3.82Å; V72-V100 HydrophobicContact CB-CG2 4.45Å; V72-V100 HydrophobicContact CG1-CG2 3.72Å; V72-V100 HydrophobicContact CG2-CG2 3.8Å; V100-V102 HydrophobicContact CG2-CG2 4.01Å; V100-V122 HydrophobicContact CB-CG1 4.35Å; V100-V122 HydrophobicContact CG1-CG1 4.36Å; V100-K124 CarbonylContact C-O 3.51Å; V100-K124 VanDerWaalsContact CA-O 3.31Å; V100-K124 WeakPolarHBondContact CA-O 3.22Å; V100-V125 HydrophobicContact CG1-CB 4.48Å; V100-V125 HydrophobicContact CG1-CG1 4.26Å; V100-V125 HydrophobicContact CG1-CG2 4.17Å
101L98Very high95.1Very high46 Ų4664.6 Ų64.624%0.24135%0.348CS..EExtended strand (participates in β ladder)trans-96.6123.4167.3-171.569.6000109.2H46 V123 K124H46-L101 HydrophobicContact CB-CD1 4.11Å; H46-L101 HydrophobicContact CB-CG 4.48Å; L101-V123 PolarHBondContact O-N 3.14Å; L101-K124 HydrophobicContact CB-CB 3.73Å; L101-K124 HydrophobicContact CB-CG 4.12Å; L101-K124 HydrophobicContact CD2-CD 3.9Å; L101-K124 HydrophobicContact CD2-CG 3.97Å; L101-K124 PolarHBondContact N-O 3.33Å; L101-K124 PolarHBondContact O-N 3.14Å
102V97.7Very high95Very high0 Ų065 Ų650%035%0.351CS..EExtended strand (participates in β ladder)trans-111.1139.8-177-169.50000110.3F41 H46 A47 V72 I81 A83 V100 F120 K121F41-V102 HydrophobicContact CE1-CG1 4.47Å; F41-V102 HydrophobicContact CZ-CB 4.1Å; F41-V102 HydrophobicContact CZ-CG1 3.91Å; H46-V102 VanDerWaalsContact CA-O 3.31Å; H46-V102 WeakPolarHBondContact CA-O 3.41Å; A47-V102 PolarHBondContact N-O 3.39Å; A47-V102 PolarHBondContact O-N 3.22Å; V72-V102 HydrophobicContact CG1-CG2 4.06Å; V72-V102 HydrophobicContact CG2-CG2 4.34Å; I81-V102 HydrophobicContact CD1-CG1 4Å; A83-V102 HydrophobicContact CB-CG1 3.84Å; A83-V102 HydrophobicContact CB-CG2 4.49Å; V100-V102 HydrophobicContact CG2-CG2 4.01Å; V102-F120 HydrophobicContact CG1-CB 3.57Å; V102-F120 HydrophobicContact CG1-CG 4.28Å; V102-K121 WeakPolarHBondContact CA-O 3.34Å; V102-K121 WeakPolarHBondContact CG1-O 3.26Å
103A97.5Very high95Very high5 Ų561.8 Ų61.84%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-122.9159.1174.100000111.5H46 F120 K121 V123H46-A103 VanDerWaalsContact CD2-CB 3.48Å; H46-A103 WeakPolarHBondContact CD2-CB 3.31Å; A103-F120 CarbonylContact O-C 3.47Å; A103-F120 WeakPolarHBondContact O-CA 3.28Å; A103-F120 WeakPolarHBondContact O-CB 3.27Å; A103-K121 HydrophobicContact CB-CG 4.41Å; A103-K121 PolarHBondContact N-O 3.38Å; A103-K121 PolarHBondContact O-N 2.96Å; A103-V123 HydrophobicContact CB-CG2 3.5Å; A103-V123 VanDerWaalsContact CB-CG2 3.5Å
104G96.2Very high95.1Very high31 Ų3159.8 Ų59.832%0.3234%0.339SS..EExtended strand (participates in β ladder)trans-71.8158.1165.700000112.1G106G104-G106 VanDerWaalsContact C-N 3.28Å; G104-G106 PolarHBondContact O-N 3.24Å
105F95Very high95.1Very high46 Ų4660.3 Ų60.320%0.20234%0.342CS..  trans-77.5-3.3176-82.3-61.3000115.6F84 V112 I115 V118 R119 F120 K121F84-F105 HydrophobicContact CB-CE1 4.4Å; F84-F105 HydrophobicContact CB-CE2 4.23Å; F84-F105 HydrophobicContact CB-CZ 3.51Å; F84-F105 HydrophobicContact CD1-CE1 4.07Å; F84-F105 AromaticContact CD1-CZ 3.84Å; F84-F105 HydrophobicContact CD1-CZ 3.84Å; F84-F105 AromaticContact CG-CZ 3.98Å; F84-F105 HydrophobicContact CG-CZ 3.98Å; F105-V112 HydrophobicContact CB-CB 4.15Å; F105-V112 HydrophobicContact CB-CG2 3.28Å; F105-V112 HydrophobicContact CD1-CB 4.44Å; F105-V112 HydrophobicContact CD1-CG2 4.42Å; F105-V112 HydrophobicContact CD2-CB 4.11Å; F105-V112 HydrophobicContact CD2-CG2 4Å; F105-V112 HydrophobicContact CG-CB 4.05Å; F105-V112 HydrophobicContact CG-CG2 3.73Å; F105-I115 HydrophobicContact CZ-CD1 4.39Å; F105-V118 HydrophobicContact CE2-CG1 4.1Å; F105-V118 WeakPolarHBondContact CE2-O 3.42Å; F105-R119 WeakPolarHBondContact CD2-O 3.47Å; F105-R119 PolarHBondContact N-O 3.13Å; F105-F120 VanDerWaalsContact CE2-O 3.32Å; F105-F120 WeakPolarHBondContact CE2-O 3.46Å; F105-K121 HydrophobicContact CD1-CB 4.1Å; F105-K121 HydrophobicContact CD1-CD 3.97Å; F105-K121 HydrophobicContact CD1-CG 4.22Å; F105-K121 HydrophobicContact CE1-CB 3.7Å; F105-K121 HydrophobicContact CE1-CD 4.13Å; F105-K121 HydrophobicContact CE1-CG 4.3Å; F105-K121 HydrophobicContact CZ-CB 4.12Å
106G92.2Very high95.2Very high73 Ų7358.8 Ų58.875%0.75334%0.339SS*.SBendtrans88.5-6.5-178.400000115.5G104 K108G104-G106 VanDerWaalsContact C-N 3.28Å; G104-G106 PolarHBondContact O-N 3.24Å; G106-K108 VanDerWaalsContact C-N 3.26Å; G106-K108 PolarHBondContact O-N 3Å; G106-K108 VanDerWaalsContact O-N 3.12Å
107R92.9Very high95.1Very high160 Ų16056.6 Ų56.660%0.60435%0.346SS*.SBendtrans-84.642.1173.8-76.5-154.5168.7-175.7-10.4114.2G109 H110 V112R107-G109 PolarHBondContact O-N 2.95Å; R107-H110 HydrophobicContact CB-CB 4.11Å; R107-H110 VanDerWaalsContact O-CB 3.29Å; R107-H110 WeakPolarHBondContact O-CB 3.49Å; R107-H110 PolarHBondContact O-CD2 2.8Å; R107-H110 PolarHBondContact O-N 3.39Å; R107-V112 HydrophobicContact CB-CG2 3.95Å; R107-V112 HydrophobicContact CG-CG2 3.64Å
108K90.4Very high95.2Very high182 Ų18250.8 Ų50.879%0.79132%0.315SS*.THydrogen-bonded Turntrans47.738.7177.1-61.1-176.7179.2178.90114.8G106G106-K108 VanDerWaalsContact C-N 3.26Å; G106-K108 PolarHBondContact O-N 3Å; G106-K108 VanDerWaalsContact O-N 3.12Å
109G90.5Very high95.3Very high48 Ų4856.1 Ų56.150%0.49533%0.334SS..THydrogen-bonded Turntrans88.19-179.300000115.3R107 R119R107-G109 PolarHBondContact O-N 2.95Å; G109-R119 WeakPolarHBondContact O-CD 3.44Å
110H94.6Very high95.3Very high104 Ų10453.4 Ų53.448%0.48132%0.321SS..  trans-94.7153.5172.7-61.6-73.5000111.7R107R107-H110 HydrophobicContact CB-CB 4.11Å; R107-H110 VanDerWaalsContact O-CB 3.29Å; R107-H110 WeakPolarHBondContact O-CB 3.49Å; R107-H110 PolarHBondContact O-CD2 2.8Å; R107-H110 PolarHBondContact O-N 3.39Å
111A95.8Very high95.3Very high26 Ų2657.1 Ų57.122%0.21534%0.337CS..  trans-65.7156.6171.400000110.8V118A111-V118 VanDerWaalsContact CA-O 3.26Å; A111-V118 WeakPolarHBondContact CA-O 3.04Å; A111-V118 VanDerWaalsContact CB-O 3.27Å; A111-V118 WeakPolarHBondContact CB-O 3.38Å
112V94.4Very high95.3Very high41 Ų4155 Ų5525%0.24833%0.326CS..  trans-118.5142.7-175.8177.30000111F105 R107 I115F105-V112 HydrophobicContact CB-CB 4.15Å; F105-V112 HydrophobicContact CB-CG2 3.28Å; F105-V112 HydrophobicContact CD1-CB 4.44Å; F105-V112 HydrophobicContact CD1-CG2 4.42Å; F105-V112 HydrophobicContact CD2-CB 4.11Å; F105-V112 HydrophobicContact CD2-CG2 4Å; F105-V112 HydrophobicContact CG-CB 4.05Å; F105-V112 HydrophobicContact CG-CG2 3.73Å; R107-V112 HydrophobicContact CB-CG2 3.95Å; R107-V112 HydrophobicContact CG-CG2 3.64Å; V112-I115 PolarHBondContact O-N 3.02Å
113G94.8Very high95.3Very high55 Ų5557 Ų5757%0.56734%0.338SS*.THydrogen-bonded Turntrans59.6-138.8175.200000112.6I115G113-I115 VanDerWaalsContact C-N 3.33Å
114D96.6Very high95.3Very high21 Ų2161.1 Ų61.111%0.11236%0.355CS..THydrogen-bonded Turntrans-87.95.3-178.764.1-9.4000113.5A59 K60 N63 R67 P116A59-D114 HydrophobicContact CB-CB 4.32Å; K60-D114 HydrophobicContact CB-CB 4.36Å; K60-D114 WeakPolarHBondContact CG-O 3.4Å; K60-D114 PolarHBondContact N-O 2.89Å; N63-D114 PolarHBondContact ND2-OD2 3.2Å; R67-D114 IonicContact CZ-OD1 3.19Å; R67-D114 IonicContact CZ-OD2 3.67Å; R67-D114 IonicContact NE-OD1 3.35Å; R67-D114 PolarHBondContact NE-OD1 3.43Å; R67-D114 VanDerWaalsContact NE-OD1 3.11Å; R67-D114 IonicContact NE-OD2 3.11Å; R67-D114 PolarHBondContact NE-OD2 2.99Å; R67-D114 IonicContact NH2-OD1 2.69Å; R67-D114 PolarHBondContact NH2-OD1 3.43Å; R67-D114 IonicContact NH2-OD2 3.47Å; R67-D114 PolarHBondContact NH2-OD2 2.85Å; D114-P116 WeakPolarHBondContact O-CD 3.42Å
115I95.3Very high95.3Very high11 Ų1159.7 Ų59.76%0.05634%0.34CS..  trans-89.4107-177.6-36.6-174.6000109.5V57 R67 F84 F105 V112 G113 V118V57-I115 HydrophobicContact CG1-CG2 4.28Å; R67-I115 HydrophobicContact CB-CD1 4.47Å; R67-I115 HydrophobicContact CB-CG1 4.48Å; R67-I115 HydrophobicContact CB-CG2 4.17Å; R67-I115 HydrophobicContact CG-CD1 4.38Å; R67-I115 HydrophobicContact CG-CG1 4.03Å; R67-I115 HydrophobicContact CG-CG2 4.4Å; F84-I115 HydrophobicContact CB-CD1 4.29Å; F84-I115 HydrophobicContact CD1-CD1 4.12Å; F84-I115 HydrophobicContact CD2-CD1 3.53Å; F84-I115 HydrophobicContact CE1-CD1 4.33Å; F84-I115 HydrophobicContact CE2-CD1 3.79Å; F84-I115 HydrophobicContact CG-CD1 3.71Å; F84-I115 HydrophobicContact CZ-CD1 4.18Å; F105-I115 HydrophobicContact CZ-CD1 4.39Å; V112-I115 PolarHBondContact O-N 3.02Å; G113-I115 VanDerWaalsContact C-N 3.33Å; I115-V118 HydrophobicContact CB-CB 4.37Å; I115-V118 HydrophobicContact CG2-CB 3.64Å; I115-V118 HydrophobicContact CG2-CG1 4.46Å; I115-V118 HydrophobicContact CG2-CG2 3.55Å
116P96.2Very high95.1Very high51 Ų5158.5 Ų58.533%0.33134%0.339SS..SBendtrans-70.4136.4-178.830.2-34.8000111.2V57 E58 K60 D114 V118V57-P116 HydrophobicContact CG1-CG 3.68Å; E58-P116 WeakPolarHBondContact O-CD 3.47Å; E58-P116 WeakPolarHBondContact O-CG 3.4Å; K60-P116 HydrophobicContact CG-CB 4.25Å; D114-P116 WeakPolarHBondContact O-CD 3.42Å; P116-V118 PolarHBondContact O-N 3.32Å
117G95Very high95.2Very high64 Ų6460.9 Ų60.966%0.6633%0.334SS*.SBendtrans72.1-21.7173.200000116.5R119G117-R119 PolarHBondContact O-N 2.92Å
118V96.8Very high95.3Very high3 Ų354.1 Ų54.12%0.01831%0.311CS..  trans-82.7114.7-175.7-172.10000111V57 T82 F84 F105 A111 I115 P116 F120V57-V118 HydrophobicContact CG2-CG2 4.28Å; T82-V118 HydrophobicContact CG2-CG2 3.83Å; F84-V118 HydrophobicContact CB-CG1 3.96Å; F105-V118 HydrophobicContact CE2-CG1 4.1Å; F105-V118 WeakPolarHBondContact CE2-O 3.42Å; A111-V118 VanDerWaalsContact CA-O 3.26Å; A111-V118 WeakPolarHBondContact CA-O 3.04Å; A111-V118 VanDerWaalsContact CB-O 3.27Å; A111-V118 WeakPolarHBondContact CB-O 3.38Å; I115-V118 HydrophobicContact CB-CB 4.37Å; I115-V118 HydrophobicContact CG2-CB 3.64Å; I115-V118 HydrophobicContact CG2-CG1 4.46Å; I115-V118 HydrophobicContact CG2-CG2 3.55Å; P116-V118 PolarHBondContact O-N 3.32Å; V118-F120 WeakPolarHBondContact CG1-O 2.99Å
119R96.8Very high95.6Very high132 Ų13247.5 Ų47.550%0.49829%0.287SS..  trans-106.6-8.3-175.1-62.7166.7-176.8-174.24.5113.5F105 G109 G117F105-R119 WeakPolarHBondContact CD2-O 3.47Å; F105-R119 PolarHBondContact N-O 3.13Å; G109-R119 WeakPolarHBondContact O-CD 3.44Å; G117-R119 PolarHBondContact O-N 2.92Å
120F97.5Very high95.9Very high20 Ų2045.3 Ų45.39%0.08826%0.264CS..EExtended strand (participates in β ladder)trans-128.9159-168.8-54.6-72.9000111.3P40 F41 I81 A83 F84 V102 A103 F105 V118P40-F120 HydrophobicContact CB-CZ 4.18Å; P40-F120 HydrophobicContact CG-CE2 4.17Å; P40-F120 HydrophobicContact CG-CZ 3.88Å; F41-F120 HydrophobicContact CD1-CE1 4.06Å; F41-F120 HydrophobicContact CD1-CZ 4.49Å; F41-F120 HydrophobicContact CD2-CE1 4.25Å; F41-F120 AromaticContact CE1-CD1 3.81Å; F41-F120 HydrophobicContact CE1-CD1 3.81Å; F41-F120 AromaticContact CE1-CE1 3.67Å; F41-F120 HydrophobicContact CE1-CE1 3.67Å; F41-F120 HydrophobicContact CE1-CG 4.49Å; F41-F120 HydrophobicContact CE1-CZ 4.25Å; F41-F120 AromaticContact CE2-CD1 3.87Å; F41-F120 HydrophobicContact CE2-CD1 3.87Å; F41-F120 AromaticContact CE2-CE1 3.9Å; F41-F120 HydrophobicContact CE2-CE1 3.9Å; F41-F120 HydrophobicContact CG-CE1 4.34Å; F41-F120 AromaticContact CZ-CD1 3.37Å; F41-F120 HydrophobicContact CZ-CD1 3.37Å; F41-F120 AromaticContact CZ-CE1 3.58Å; F41-F120 HydrophobicContact CZ-CE1 3.58Å; F41-F120 HydrophobicContact CZ-CG 4.23Å; I81-F120 HydrophobicContact CB-CD2 4.12Å; I81-F120 HydrophobicContact CB-CE2 4.17Å; I81-F120 HydrophobicContact CD1-CD2 3.92Å; I81-F120 HydrophobicContact CD1-CE2 4.29Å; I81-F120 HydrophobicContact CD1-CG 4.19Å; I81-F120 HydrophobicContact CG2-CD2 4.46Å; I81-F120 HydrophobicContact CG2-CE2 4.02Å; A83-F120 WeakPolarHBondContact CA-O 3.38Å; A83-F120 HydrophobicContact CB-CB 4.18Å; F84-F120 PolarHBondContact N-O 3.33Å; V102-F120 HydrophobicContact CG1-CB 3.57Å; V102-F120 HydrophobicContact CG1-CG 4.28Å; A103-F120 CarbonylContact O-C 3.47Å; A103-F120 WeakPolarHBondContact O-CA 3.28Å; A103-F120 WeakPolarHBondContact O-CB 3.27Å; F105-F120 VanDerWaalsContact CE2-O 3.32Å; F105-F120 WeakPolarHBondContact CE2-O 3.46Å; V118-F120 WeakPolarHBondContact CG1-O 2.99Å
121K97.4Very high96Very high80 Ų8044.6 Ų44.635%0.34826%0.263SS..EExtended strand (participates in β ladder)trans-134.5151.9175.364.2177.3-178.7178.50111.6F84 V102 A103 F105F84-K121 CarbonylContact O-C 3.56Å; F84-K121 VanDerWaalsContact O-CA 3.28Å; F84-K121 WeakPolarHBondContact O-CA 3.47Å; V102-K121 WeakPolarHBondContact CA-O 3.34Å; V102-K121 WeakPolarHBondContact CG1-O 3.26Å; A103-K121 HydrophobicContact CB-CG 4.41Å; A103-K121 PolarHBondContact N-O 3.38Å; A103-K121 PolarHBondContact O-N 2.96Å; F105-K121 HydrophobicContact CD1-CB 4.1Å; F105-K121 HydrophobicContact CD1-CD 3.97Å; F105-K121 HydrophobicContact CD1-CG 4.22Å; F105-K121 HydrophobicContact CE1-CB 3.7Å; F105-K121 HydrophobicContact CE1-CD 4.13Å; F105-K121 HydrophobicContact CE1-CG 4.3Å; F105-K121 HydrophobicContact CZ-CB 4.12Å
122V97.9Very high96Very high2 Ų244.2 Ų44.21%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-76.4139171.7-178.30000109.9V70 A83 F84 V85 I94 V100 V125 L130V70-V122 HydrophobicContact CG2-CG2 3.72Å; A83-V122 HydrophobicContact CB-CG2 4.09Å; F84-V122 PolarHBondContact O-N 2.93Å; V85-V122 HydrophobicContact CG2-CG2 4.25Å; I94-V122 HydrophobicContact CD1-CG1 4.18Å; I94-V122 HydrophobicContact CD1-CG2 4.38Å; V100-V122 HydrophobicContact CB-CG1 4.35Å; V100-V122 HydrophobicContact CG1-CG1 4.36Å; V122-V125 HydrophobicContact CG1-CG2 3.92Å; V122-L130 HydrophobicContact CB-CD2 4.43Å; V122-L130 HydrophobicContact CG1-CD2 4.28Å
123V97.7Very high96Very high43 Ų4342.6 Ų42.626%0.26125%0.25SS..EExtended strand (participates in β ladder)trans-119.9-40.9179.3-177.50000111.9L101 A103 L130L101-V123 PolarHBondContact O-N 3.14Å; A103-V123 HydrophobicContact CB-CG2 3.5Å; A103-V123 VanDerWaalsContact CB-CG2 3.5Å; V123-L130 PolarHBondContact O-N 3.24Å
124K97.2Very high96.1Very high90 Ų9045.2 Ų45.239%0.39124%0.244SC..EExtended strand (participates in β ladder)trans-134.6152.5177.9-54.7-170.9178.2-179.10110.3V100 L101 V128V100-K124 CarbonylContact C-O 3.51Å; V100-K124 VanDerWaalsContact CA-O 3.31Å; V100-K124 WeakPolarHBondContact CA-O 3.22Å; L101-K124 HydrophobicContact CB-CB 3.73Å; L101-K124 HydrophobicContact CB-CG 4.12Å; L101-K124 HydrophobicContact CD2-CD 3.9Å; L101-K124 HydrophobicContact CD2-CG 3.97Å; L101-K124 PolarHBondContact N-O 3.33Å; L101-K124 PolarHBondContact O-N 3.14Å; K124-V128 CarbonylContact C-O 3.49Å; K124-V128 WeakPolarHBondContact CA-O 3.39Å; K124-V128 WeakPolarHBondContact CB-O 3.48Å
125V96.1Very high96.1Very high1 Ų150.3 Ų50.31%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-135.5134175.6-173.10000106.7I94 D98 V100 V122 N127 V128 L130I94-V125 HydrophobicContact CD1-CG2 4.04Å; I94-V125 HydrophobicContact CG1-CB 4.43Å; I94-V125 HydrophobicContact CG1-CG1 4.05Å; I94-V125 HydrophobicContact CG1-CG2 3.52Å; D98-V125 HydrophobicContact CB-CG1 4.31Å; V100-V125 HydrophobicContact CG1-CB 4.48Å; V100-V125 HydrophobicContact CG1-CG1 4.26Å; V100-V125 HydrophobicContact CG1-CG2 4.17Å; V122-V125 HydrophobicContact CG1-CG2 3.92Å; V125-N127 PolarHBondContact O-N 3.33Å; V125-N127 VanDerWaalsContact O-N 3.15Å; V125-V128 PolarHBondContact N-O 3.1Å; V125-V128 PolarHBondContact O-N 3.2Å; V125-V128 VanDerWaalsContact O-O 3.06Å; V125-L130 HydrophobicContact CG2-CD1 3.99Å
126A92.1Very high96Very high22 Ų2252.8 Ų52.818%0.18229%0.293CS..THydrogen-bonded Turntrans4845.6-179.900000113E99 V128 P141E99-A126 PolarHBondContact O-N 2.95Å; A126-V128 PolarHBondContact O-N 3.19Å; A126-P141 HydrophobicContact CB-CG 3.93Å; A126-P141 WeakPolarHBondContact O-CG 3.24Å
127N92.5Very high96Very high123 Ų12358.2 Ų58.266%0.65831%0.312SS*.THydrogen-bonded Turntrans60.71.6-174.8-62.7-46.2000116.9V125V125-N127 PolarHBondContact O-N 3.33Å; V125-N127 VanDerWaalsContact O-N 3.15Å
128V95.6Very high95.9Very high18 Ų1861.5 Ų61.511%0.10931%0.308CS..EExtended strand (participates in β ladder)trans-100.1143.9175.3-174.80000110.6K124 V125 A126 L130 L133 K138 P141K124-V128 CarbonylContact C-O 3.49Å; K124-V128 WeakPolarHBondContact CA-O 3.39Å; K124-V128 WeakPolarHBondContact CB-O 3.48Å; V125-V128 PolarHBondContact N-O 3.1Å; V125-V128 PolarHBondContact O-N 3.2Å; V125-V128 VanDerWaalsContact O-O 3.06Å; A126-V128 PolarHBondContact O-N 3.19Å; V128-L130 PolarHBondContact O-N 2.67Å; V128-L133 HydrophobicContact CB-CD2 4.36Å; V128-L133 HydrophobicContact CB-CG 4.41Å; V128-L133 HydrophobicContact CG1-CD1 4.43Å; V128-L133 HydrophobicContact CG1-CD2 3.76Å; V128-L133 HydrophobicContact CG1-CG 3.83Å; V128-K138 HydrophobicContact CG1-CB 3.79Å; V128-K138 HydrophobicContact CG1-CD 3.96Å; V128-K138 HydrophobicContact CG1-CG 4.5Å; V128-P141 HydrophobicContact CG2-CG 4.21Å
129S96.5Very high95.7Very high42 Ų4269.5 Ų69.529%0.29435%0.345SS..EExtended strand (participates in β ladder)trans-66.9131.4175.1179.10000111L131 A132 L133S129-L131 PolarHBondContact O-N 3.31Å; S129-L131 PolarHBondContact OG-N 3.22Å; S129-A132 WeakPolarHBondContact O-CB 3.32Å; S129-A132 PolarHBondContact O-N 3.44Å; S129-L133 PolarHBondContact O-N 3.33Å; S129-L133 VanDerWaalsContact O-N 3.07Å
130L96.2Very high95.3Very high3 Ų366.8 Ų66.82%0.01634%0.335CS..Hα-helixtrans-60.1-34.5176.2-172.966.3000111.6V85 P86 C90 F93 V122 V123 V125 V128 A132 L133 Y134V85-L130 HydrophobicContact CG1-CD2 4.04Å; P86-L130 HydrophobicContact CG-CD2 3.82Å; C90-L130 HydrophobicContact CB-CD1 4.05Å; C90-L130 HydrophobicContact CB-CD2 4.11Å; C90-L130 HydrophobicContact CB-CG 4.26Å; F93-L130 HydrophobicContact CB-CD1 4.24Å; F93-L130 HydrophobicContact CD2-CD1 4.12Å; V122-L130 HydrophobicContact CB-CD2 4.43Å; V122-L130 HydrophobicContact CG1-CD2 4.28Å; V123-L130 PolarHBondContact O-N 3.24Å; V125-L130 HydrophobicContact CG2-CD1 3.99Å; V128-L130 PolarHBondContact O-N 2.67Å; L130-A132 VanDerWaalsContact C-N 3.31Å; L130-A132 PolarHBondContact O-N 2.95Å; L130-L133 PolarHBondContact O-N 3Å; L130-Y134 VanDerWaalsContact O-CB 3.29Å; L130-Y134 WeakPolarHBondContact O-CB 3.28Å; L130-Y134 PolarHBondContact O-N 3.34Å
131L96.7Very high94.8Very high88 Ų8868.9 Ų68.946%0.46135%0.35SS..Hα-helixtrans-67.1-32.9175.6-173.965000112.3S129 Y134 K135S129-L131 PolarHBondContact O-N 3.31Å; S129-L131 PolarHBondContact OG-N 3.22Å; L131-Y134 HydrophobicContact CD1-CD1 4.43Å; L131-K135 HydrophobicContact CD1-CD 4.48Å; L131-K135 HydrophobicContact CG-CD 4.47Å; L131-K135 WeakPolarHBondContact O-CB 3.41Å; L131-K135 WeakPolarHBondContact O-CG 3.38Å; L131-K135 PolarHBondContact O-N 2.98Å; L131-K135 VanDerWaalsContact O-N 3.1Å
132A96.8Very high94Very high18 Ų1876.5 Ų76.515%0.14938%0.377CS..Hα-helixtrans-72.7-39.9177.100000111.4S129 L130 K135 G136 K137 K138S129-A132 WeakPolarHBondContact O-CB 3.32Å; S129-A132 PolarHBondContact O-N 3.44Å; L130-A132 VanDerWaalsContact C-N 3.31Å; L130-A132 PolarHBondContact O-N 2.95Å; A132-K135 PolarHBondContact O-N 2.96Å; A132-G136 PolarHBondContact O-N 3.49Å; A132-K137 PolarHBondContact O-N 2.96Å; A132-K138 HydrophobicContact CB-CB 4.17Å; A132-K138 HydrophobicContact CB-CD 4.47Å; A132-K138 HydrophobicContact CB-CG 4.24Å; A132-K138 PolarHBondContact O-N 3.5Å
133L95.5Very high92.7Very high7 Ų785 Ų854%0.03744%0.436CS..Hα-helixtrans-62-49.3172.2-63.9174.4000110.8F93 V128 S129 L130 K135 G136 K138 R140F93-L133 HydrophobicContact CB-CD1 4.05Å; F93-L133 HydrophobicContact CD1-CB 4.22Å; F93-L133 HydrophobicContact CD1-CD1 4.5Å; F93-L133 HydrophobicContact CD2-CB 4.06Å; F93-L133 HydrophobicContact CE1-CB 4.27Å; F93-L133 HydrophobicContact CE2-CB 4.14Å; F93-L133 HydrophobicContact CG-CB 4.12Å; F93-L133 HydrophobicContact CG-CD1 4.2Å; F93-L133 HydrophobicContact CZ-CB 4.24Å; V128-L133 HydrophobicContact CB-CD2 4.36Å; V128-L133 HydrophobicContact CB-CG 4.41Å; V128-L133 HydrophobicContact CG1-CD1 4.43Å; V128-L133 HydrophobicContact CG1-CD2 3.76Å; V128-L133 HydrophobicContact CG1-CG 3.83Å; S129-L133 PolarHBondContact O-N 3.33Å; S129-L133 VanDerWaalsContact O-N 3.07Å; L130-L133 PolarHBondContact O-N 3Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.32Å; L133-G136 PolarHBondContact O-N 3.05Å; L133-K138 WeakPolarHBondContact CD2-O 3.48Å; L133-R140 HydrophobicContact CD2-CB 4.29Å
134Y95.6Very high92.5Very high110 Ų11087.1 Ų87.143%0.43145%0.445SS..Hα-helixtrans-57.5-39.7178.7175.8-108.1000113.2N87 D88 L130 L131 G136N87-Y134 HydrophobicContact CB-CD1 4.31Å; N87-Y134 HydrophobicContact CB-CD2 3.98Å; N87-Y134 HydrophobicContact CB-CE1 4.23Å; N87-Y134 HydrophobicContact CB-CE2 3.92Å; N87-Y134 HydrophobicContact CB-CG 4.19Å; D88-Y134 WeakPolarHBondContact O-CE2 3.46Å; L130-Y134 VanDerWaalsContact O-CB 3.29Å; L130-Y134 WeakPolarHBondContact O-CB 3.28Å; L130-Y134 PolarHBondContact O-N 3.34Å; L131-Y134 HydrophobicContact CD1-CD1 4.43Å; Y134-G136 VanDerWaalsContact C-N 3.29Å; Y134-G136 PolarHBondContact O-N 3.41Å
135K96.5Very high92.2Very high129 Ų12986.9 Ų86.956%0.56145%0.448SS*.THydrogen-bonded Turntrans-83.31.4177.4-68.7-174.2177-171.30113.8L131 A132 L133 K137L131-K135 HydrophobicContact CD1-CD 4.48Å; L131-K135 HydrophobicContact CG-CD 4.47Å; L131-K135 WeakPolarHBondContact O-CB 3.41Å; L131-K135 WeakPolarHBondContact O-CG 3.38Å; L131-K135 PolarHBondContact O-N 2.98Å; L131-K135 VanDerWaalsContact O-N 3.1Å; A132-K135 PolarHBondContact O-N 2.96Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.32Å; K135-K137 HydrophobicContact CB-CG 4.05Å; K135-K137 PolarHBondContact O-N 2.95Å
136G93.8Very high92Very high63 Ų6391.7 Ų91.765%0.64947%0.472SS*.THydrogen-bonded Turntrans64.318-175.300000114.5A132 L133 Y134A132-G136 PolarHBondContact O-N 3.49Å; L133-G136 PolarHBondContact O-N 3.05Å; Y134-G136 VanDerWaalsContact C-N 3.29Å; Y134-G136 PolarHBondContact O-N 3.41Å
137K95Very high92Very high165 Ų16595.8 Ų95.872%0.71749%0.489SS*.SBendtrans-80-21-179.6-68.9-166.4174.6-162.30113.2A132 K135A132-K137 PolarHBondContact O-N 2.96Å; K135-K137 HydrophobicContact CB-CG 4.05Å; K135-K137 PolarHBondContact O-N 2.95Å
138K94.3Very high91.9Very high133 Ų13394.1 Ų94.158%0.57848%0.479SS*.SBendtrans-140.3148.7175.1-73.2-165.2171-163.70108V128 A132 L133V128-K138 HydrophobicContact CG1-CB 3.79Å; V128-K138 HydrophobicContact CG1-CD 3.96Å; V128-K138 HydrophobicContact CG1-CG 4.5Å; A132-K138 HydrophobicContact CB-CB 4.17Å; A132-K138 HydrophobicContact CB-CD 4.47Å; A132-K138 HydrophobicContact CB-CG 4.24Å; A132-K138 PolarHBondContact O-N 3.5Å; L133-K138 WeakPolarHBondContact CD2-O 3.48Å
139E91.5Very high91.7Very high170 Ų17099.2 Ų99.279%0.79450%0.504SS*.PPolyproline II helixtrans-93.8159.2170.4-64.4-177.5175.600110.3
140R88.8Confident91.4Very high76 Ų76103.3 Ų103.329%0.28752%0.519SS..PPolyproline II helixtrans-69.7131.1173.7-176.9176.5175.1175.8-3.8108.4F93 D98 L133 R142F93-R140 PolarHBondContact O-NH1 2.99Å; F93-R140 VanDerWaalsContact O-NH1 3.08Å; D98-R140 IonicContact OD1-CZ 3.42Å; D98-R140 IonicContact OD1-NH2 3.34Å; D98-R140 PolarHBondContact OD1-NH2 3.22Å; D98-R140 IonicContact OD2-CZ 2.68Å; D98-R140 IonicContact OD2-NH1 3.36Å; D98-R140 IonicContact OD2-NH2 3.89Å; D98-R140 PolarHBondContact OD2-NH2 3.32Å; L133-R140 HydrophobicContact CD2-CB 4.29Å; R140-R142 PolarHBondContact O-N 3.15Å
141P87.5Confident91Very high64 Ų64111 Ų11142%0.41656%0.557SS.*PPolyproline II helixtrans-61.8138.6175.225.3-32.6000109.4A126 V128A126-P141 HydrophobicContact CB-CG 3.93Å; A126-P141 WeakPolarHBondContact O-CG 3.24Å; V128-P141 HydrophobicContact CG2-CG 4.21Å
142R80Confident90.5Very high240 Ų240112.9 Ų112.991%0.90657%0.565SS**PPolyproline II helixtrans-71.4132.1172.4-60.7-177.5-162.5174.55108.1R140R140-R142 PolarHBondContact O-N 3.15Å
143S71Confident89.9Confident180 Ų180121.5 Ų121.5100%1.25960%0.603SS**  trans-670170.6-49.80000111

Retrieved 143 of 143 residues in 28.1 ms (Link to these results)