A0A096NP85_PAPAN Loading...

Small ribosomal subunit protein uS12

AlphaFold DB (P62298), UniProt , Accession A0A096NP85, Species PAPAN (Papio anubis, Olive baboon), 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 36.8 ms (Link to these results)

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