A8KB78_DANRE Loading...

Small ribosomal subunit protein uS12

AlphaFold DB , UniProt , Accession A8KB78, Species DANRE (Danio rerio, Zebrafish), 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
1M61.3Low90.5Very high251 Ų251143.1 Ų143.1100%1.23672%0.721SS**  0133.20-78.6-169-150.500109.9
2G84.6Confident90.9Very high78 Ų78143.3 Ų143.380%0.80471%0.713SS**  trans-98.5-173.6-178.200000114.3
3K90.8Very high91.4Very high181 Ų181137.8 Ų137.879%0.78769%0.687SS**  trans-63.4148.1174.1-42.6178.8-165.9174.30109.9L13K3-L13 HydrophobicContact CB-CD2 4.28Å
4C91.5Very high91.7Very high44 Ų44140 Ų14030%0.29768%0.684SS.*  trans-63.4136.917123.80000110.4T9C4-T9 HydrophobicContact CB-CG2 4.04Å
5R93.6Very high92.1Very high240 Ų240133.7 Ų133.791%0.90665%0.654SS**  trans-118.73.5-174.9-61.4-173.8-178.4-174-0.1114.5
6G94.3Very high92.3Very high43 Ų43131.8 Ų131.844%0.44364%0.643SS.*  trans-71.4147.6-17900000112.8R8 T9G6-R8 PolarHBondContact O-N 3Å; G6-R8 VanDerWaalsContact O-N 3.15Å; G6-T9 WeakPolarHBondContact O-CB 3.41Å; G6-T9 WeakPolarHBondContact O-CG2 3.47Å; G6-T9 PolarHBondContact O-N 3.22Å; G6-T9 PolarHBondContact O-OG1 3.28Å
7L94.3Very high92.5Very high185 Ų185133.6 Ų133.697%0.96964%0.642SS**THydrogen-bonded Turntrans-53.8-36.1-178.6-71167.2000113.5T9L7-T9 PolarHBondContact O-N 3.48Å
8R95.8Very high92.7Very high250 Ų250133.7 Ų133.794%0.94363%0.634SS**THydrogen-bonded Turntrans-91.618.4-178.7-62.6-178.1178.7169.6-0.4114.5G6G6-R8 PolarHBondContact O-N 3Å; G6-R8 VanDerWaalsContact O-N 3.15Å
9T96.1Very high92.9Very high35 Ų35132.1 Ų132.122%0.21563%0.626CS.*  trans-97.74.9-17465.60000115.2C4 G6 L7 R11 K12 L13C4-T9 HydrophobicContact CB-CG2 4.04Å; G6-T9 WeakPolarHBondContact O-CB 3.41Å; G6-T9 WeakPolarHBondContact O-CG2 3.47Å; G6-T9 PolarHBondContact O-N 3.22Å; G6-T9 PolarHBondContact O-OG1 3.28Å; L7-T9 PolarHBondContact O-N 3.48Å; T9-R11 VanDerWaalsContact C-N 3.34Å; T9-R11 PolarHBondContact O-N 3.12Å; T9-K12 PolarHBondContact O-N 2.91Å; T9-K12 VanDerWaalsContact O-N 3.08Å; T9-L13 PolarHBondContact O-N 2.87Å; T9-L13 VanDerWaalsContact O-N 3.11Å
10A96Very high93.1Very high71 Ų71129.4 Ų129.459%0.58761%0.613SS**Hα-helixtrans-52.7-44-175.500000114.1K12 L13 R14A10-K12 PolarHBondContact O-N 3.11Å; A10-L13 PolarHBondContact O-N 2.88Å; A10-R14 WeakPolarHBondContact O-CB 3.49Å; A10-R14 PolarHBondContact O-N 2.98Å
11R96.8Very high93.3Very high196 Ų196127.2 Ų127.274%0.7460%0.601SS**Hα-helixtrans-61.2-43.8179.1-174.5-176.4-67-155.40.6112.1T9 R14 N15T9-R11 VanDerWaalsContact C-N 3.34Å; T9-R11 PolarHBondContact O-N 3.12Å; R11-R14 PolarHBondContact O-N 2.91Å; R11-N15 WeakPolarHBondContact O-CB 3.5Å; R11-N15 PolarHBondContact O-N 3.28Å
12K95.8Very high94.9Very high146 Ų146120.4 Ų120.464%0.63556%0.562SS**Hα-helixtrans-63.7-46.5178.8-177.4168.7179.3170.30110.7T9 A10 R14 N15 H16T9-K12 PolarHBondContact O-N 2.91Å; T9-K12 VanDerWaalsContact O-N 3.08Å; A10-K12 PolarHBondContact O-N 3.11Å; K12-R14 PolarHBondContact O-N 3.03Å; K12-N15 PolarHBondContact O-N 3.35Å; K12-H16 VanDerWaalsContact O-CB 3.26Å; K12-H16 WeakPolarHBondContact O-CB 3.26Å; K12-H16 PolarHBondContact O-N 3.43Å
13L96.7Very high95.5Very high71 Ų71123.6 Ų123.637%0.37256%0.556SS.*Hα-helixtrans-60.3-43.1177-68.2174.2000112.1K3 T9 A10 R17K3-L13 HydrophobicContact CB-CD2 4.28Å; T9-L13 PolarHBondContact O-N 2.87Å; T9-L13 VanDerWaalsContact O-N 3.11Å; A10-L13 PolarHBondContact O-N 2.88Å; L13-R17 WeakPolarHBondContact O-CB 3.19Å; L13-R17 PolarHBondContact O-N 3.18Å
14R96.7Very high95.7Very high169 Ų169118.9 Ų118.964%0.63854%0.539SS*.Hα-helixtrans-63-50.6177.4-170.5-175.382.7178.57112.3A10 R11 K12 R17 R18A10-R14 WeakPolarHBondContact O-CB 3.49Å; A10-R14 PolarHBondContact O-N 2.98Å; R11-R14 PolarHBondContact O-N 2.91Å; K12-R14 PolarHBondContact O-N 3.03Å; R14-R17 PolarHBondContact O-N 3.37Å; R14-R18 PolarHBondContact O-N 3.32Å
15N96.8Very high95.8Very high45 Ų45124.6 Ų124.624%0.24156%0.559CS.*Hα-helixtrans-64.2-44.8-177.8-72.7-4.7000111R11 K12 R17 R18 E19R11-N15 WeakPolarHBondContact O-CB 3.5Å; R11-N15 PolarHBondContact O-N 3.28Å; K12-N15 PolarHBondContact O-N 3.35Å; N15-R17 PolarHBondContact O-N 3.24Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.41Å; N15-R18 VanDerWaalsContact O-N 3.11Å; N15-E19 PolarHBondContact O-N 2.68Å
16H96.1Very high95.7Very high103 Ų103119.8 Ų119.848%0.47755%0.547SS..Hα-helixtrans-58.1-47.4174.9-177.669.1000111.3K12 R18 E19 Q20K12-H16 VanDerWaalsContact O-CB 3.26Å; K12-H16 WeakPolarHBondContact O-CB 3.26Å; K12-H16 PolarHBondContact O-N 3.43Å; H16-R18 VanDerWaalsContact C-N 3.3Å; H16-R18 PolarHBondContact O-N 3.01Å; H16-E19 PolarHBondContact O-N 2.97Å; H16-Q20 WeakPolarHBondContact O-CB 3.29Å; H16-Q20 WeakPolarHBondContact O-CG 3.4Å; H16-Q20 PolarHBondContact O-N 3.33Å
17R95.9Very high95.7Very high164 Ų164120.4 Ų120.462%0.61954%0.536SS*.Hα-helixtrans-60.7-39.4176.5-177.857.1171.7168.8-0.2112.1L13 R14 N15 Q20 K21L13-R17 WeakPolarHBondContact O-CB 3.19Å; L13-R17 PolarHBondContact O-N 3.18Å; R14-R17 PolarHBondContact O-N 3.37Å; N15-R17 PolarHBondContact O-N 3.24Å; R17-Q20 PolarHBondContact O-N 3.44Å; R17-K21 WeakPolarHBondContact O-CG 3.41Å; R17-K21 PolarHBondContact O-N 3.05Å
18R96.2Very high95.7Very high134 Ų134116.7 Ų116.751%0.50651%0.512SS..Hα-helixtrans-63.2-43.9177.7-175.8-178.166.5179.41.8111.7R14 N15 H16 K21 W22R14-R18 PolarHBondContact O-N 3.32Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.41Å; N15-R18 VanDerWaalsContact O-N 3.11Å; H16-R18 VanDerWaalsContact C-N 3.3Å; H16-R18 PolarHBondContact O-N 3.01Å; R18-K21 PolarHBondContact O-N 3.4Å; R18-W22 VanDerWaalsContact O-CD1 3.25Å
19E96.3Very high95.5Very high104 Ų104109.5 Ų109.549%0.48649%0.488SS..Hα-helixtrans-62.9-46.8174.4-72.9160.6-161.800110.7N15 H16 K21 W22N15-E19 PolarHBondContact O-N 2.68Å; H16-E19 PolarHBondContact O-N 2.97Å; E19-K21 VanDerWaalsContact C-N 3.27Å; E19-K21 PolarHBondContact O-N 3.29Å; E19-W22 WeakPolarHBondContact O-CB 3.31Å; E19-W22 PolarHBondContact O-N 3.46Å
20Q96.2Very high95.2Very high78 Ų78111.2 Ų111.236%0.36451%0.505SS..Hα-helixtrans-64-29.4-180-67.4-56.9-47.400113.5H16 R17 W22 H23H16-Q20 WeakPolarHBondContact O-CB 3.29Å; H16-Q20 WeakPolarHBondContact O-CG 3.4Å; H16-Q20 PolarHBondContact O-N 3.33Å; R17-Q20 PolarHBondContact O-N 3.44Å; Q20-W22 PolarHBondContact O-N 2.83Å; Q20-H23 PolarHBondContact O-N 2.86Å; Q20-H23 VanDerWaalsContact O-N 3.09Å; Q20-H23 PolarHBondContact OE1-CD2 2.74Å
21K97Very high95.1Very high83 Ų83113 Ų11336%0.36150%0.501SS..Hα-helixtrans-58.6-30.3174.1-81.6-179.4175.9-169.10112.4R17 R18 E19 H23 D24 Y27R17-K21 WeakPolarHBondContact O-CG 3.41Å; R17-K21 PolarHBondContact O-N 3.05Å; R18-K21 PolarHBondContact O-N 3.4Å; E19-K21 VanDerWaalsContact C-N 3.27Å; E19-K21 PolarHBondContact O-N 3.29Å; K21-H23 PolarHBondContact O-N 3.03Å; K21-D24 WeakPolarHBondContact O-CB 2.79Å; K21-D24 PolarHBondContact O-N 3.47Å; K21-D24 VanDerWaalsContact O-N 3.08Å; K21-Y27 HydrophobicContact CB-CD1 3.79Å; K21-Y27 HydrophobicContact CB-CD2 4.25Å; K21-Y27 HydrophobicContact CB-CE1 3.76Å; K21-Y27 HydrophobicContact CB-CE2 4.22Å; K21-Y27 HydrophobicContact CB-CG 4.04Å; K21-Y27 HydrophobicContact CD-CD2 4.18Å; K21-Y27 HydrophobicContact CD-CE1 4.46Å; K21-Y27 HydrophobicContact CD-CE2 3.66Å; K21-Y27 HydrophobicContact CG-CD2 4.46Å; K21-Y27 HydrophobicContact CG-CE2 4.36Å; K21-Y27 WeakPolarHBondContact O-CB 3.38Å; K21-Y27 VanDerWaalsContact O-CD1 3.24Å; K21-Y27 WeakPolarHBondContact O-CD1 3.5Å
22W96.2Very high94.8Very high108 Ų108108.5 Ų108.541%0.40949%0.491SS..THydrogen-bonded Turntrans-70.8-16.5178.8-68.7106.9000113.9R18 E19 Q20 D24 Y27 K28 H31R18-W22 VanDerWaalsContact O-CD1 3.25Å; E19-W22 WeakPolarHBondContact O-CB 3.31Å; E19-W22 PolarHBondContact O-N 3.46Å; Q20-W22 PolarHBondContact O-N 2.83Å; W22-D24 VanDerWaalsContact C-N 3.34Å; W22-Y27 HydrophobicContact CD2-CD1 4.5Å; W22-Y27 HydrophobicContact CD2-CE1 4.18Å; W22-Y27 HydrophobicContact CE3-CD1 4.39Å; W22-Y27 HydrophobicContact CE3-CE1 4.33Å; W22-Y27 HydrophobicContact CZ2-CE1 4.47Å; W22-K28 HydrophobicContact CE3-CG 4.33Å; W22-H31 HydrophobicContact CH2-CB 3.83Å; W22-H31 HydrophobicContact CZ3-CB 3.96Å
23H95.4Very high94.4Very high146 Ų146103.2 Ų103.268%0.67648%0.478SS*.THydrogen-bonded Turntrans-80.7-16.1171-60.4-61.1000112.6Q20 K21 K25Q20-H23 PolarHBondContact O-N 2.86Å; Q20-H23 VanDerWaalsContact O-N 3.09Å; Q20-H23 PolarHBondContact OE1-CD2 2.74Å; K21-H23 PolarHBondContact O-N 3.03Å; H23-K25 PolarHBondContact O-N 2.89Å
24D95.9Very high93.7Very high81 Ų81103 Ų10343%0.43348%0.48SS..SBendtrans-74.2120.7169.6-178.7-91.7000110.3K21 W22 Q26 Y27 K28K21-D24 WeakPolarHBondContact O-CB 2.79Å; K21-D24 PolarHBondContact O-N 3.47Å; K21-D24 VanDerWaalsContact O-N 3.08Å; W22-D24 VanDerWaalsContact C-N 3.34Å; D24-Q26 VanDerWaalsContact C-N 3.31Å; D24-Q26 PolarHBondContact O-N 2.84Å; D24-Q26 WeakPolarHBondContact OD1-CA 3.26Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.41Å; D24-Q26 PolarHBondContact OD1-N 2.93Å; D24-Y27 PolarHBondContact O-N 2.8Å; D24-Y27 WeakPolarHBondContact OD1-CB 3.42Å; D24-Y27 PolarHBondContact OD1-N 3.41Å; D24-K28 WeakPolarHBondContact O-CB 3.27Å; D24-K28 PolarHBondContact O-N 2.85Å
25K93.2Very high92.9Very high165 Ų16596.8 Ų96.872%0.71747%0.465SS*.Hα-helixtrans-62.1-37-175.3-176.8176.8-179.4175.80112.5H23 K29H23-K25 PolarHBondContact O-N 2.89Å; K25-K29 VanDerWaalsContact O-CB 3.31Å; K25-K29 WeakPolarHBondContact O-CB 3.4Å; K25-K29 PolarHBondContact O-N 3.06Å
26Q92.7Very high92.3Very high139 Ų139100.2 Ų100.265%0.6548%0.483SS*.Hα-helixtrans-72.5-45.3-178.6-59.2-174.68.300110.2D24 K29 A30D24-Q26 VanDerWaalsContact C-N 3.31Å; D24-Q26 PolarHBondContact O-N 2.84Å; D24-Q26 WeakPolarHBondContact OD1-CA 3.26Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.41Å; D24-Q26 PolarHBondContact OD1-N 2.93Å; Q26-K29 PolarHBondContact O-N 3.37Å; Q26-A30 WeakPolarHBondContact O-CB 3.22Å; Q26-A30 PolarHBondContact O-N 2.88Å
27Y94.6Very high91.9Very high55 Ų55104 Ų10422%0.21650%0.497CS..Hα-helixtrans-57.1-51.2174.5-173-89000110.8K21 W22 D24 K29 A30 H31K21-Y27 HydrophobicContact CB-CD1 3.79Å; K21-Y27 HydrophobicContact CB-CD2 4.25Å; K21-Y27 HydrophobicContact CB-CE1 3.76Å; K21-Y27 HydrophobicContact CB-CE2 4.22Å; K21-Y27 HydrophobicContact CB-CG 4.04Å; K21-Y27 HydrophobicContact CD-CD2 4.18Å; K21-Y27 HydrophobicContact CD-CE1 4.46Å; K21-Y27 HydrophobicContact CD-CE2 3.66Å; K21-Y27 HydrophobicContact CG-CD2 4.46Å; K21-Y27 HydrophobicContact CG-CE2 4.36Å; K21-Y27 WeakPolarHBondContact O-CB 3.38Å; K21-Y27 VanDerWaalsContact O-CD1 3.24Å; K21-Y27 WeakPolarHBondContact O-CD1 3.5Å; W22-Y27 HydrophobicContact CD2-CD1 4.5Å; W22-Y27 HydrophobicContact CD2-CE1 4.18Å; W22-Y27 HydrophobicContact CE3-CD1 4.39Å; W22-Y27 HydrophobicContact CE3-CE1 4.33Å; W22-Y27 HydrophobicContact CZ2-CE1 4.47Å; D24-Y27 PolarHBondContact O-N 2.8Å; D24-Y27 WeakPolarHBondContact OD1-CB 3.42Å; D24-Y27 PolarHBondContact OD1-N 3.41Å; Y27-K29 PolarHBondContact O-N 2.85Å; Y27-A30 PolarHBondContact O-N 2.82Å; Y27-H31 AromaticContact CD1-ND1 3.8Å; Y27-H31 AromaticContact CD2-CE1 3.31Å; Y27-H31 WeakPolarHBondContact CD2-CE1 3.38Å; Y27-H31 AromaticContact CD2-ND1 3.52Å; Y27-H31 HydrophobicContact CE1-CB 4.28Å; Y27-H31 AromaticContact CE1-CG 3.88Å; Y27-H31 AromaticContact CE1-ND1 3.8Å; Y27-H31 AromaticContact CE2-CE1 3.11Å; Y27-H31 WeakPolarHBondContact CE2-CE1 3.23Å; Y27-H31 AromaticContact CE2-ND1 3.52Å; Y27-H31 AromaticContact CE2-NE2 3.44Å; Y27-H31 WeakPolarHBondContact CE2-NE2 3.14Å; Y27-H31 AromaticContact CG-CE1 3.95Å; Y27-H31 AromaticContact CG-ND1 3.67Å; Y27-H31 AromaticContact CZ-CD2 3.8Å; Y27-H31 AromaticContact CZ-CE1 3.63Å; Y27-H31 AromaticContact CZ-CG 3.79Å; Y27-H31 AromaticContact CZ-ND1 3.66Å; Y27-H31 AromaticContact CZ-NE2 3.69Å; Y27-H31 PolarHBondContact O-N 3.29Å; Y27-H31 PolarHBondContact O-ND1 2.85Å
28K94.4Very high91.7Very high108 Ų10899.2 Ų99.247%0.4749%0.494SS..Hα-helixtrans-57.8-46.6177.8-173175.6-176.7175.70111.8W22 D24 A30 H31 L32W22-K28 HydrophobicContact CE3-CG 4.33Å; D24-K28 WeakPolarHBondContact O-CB 3.27Å; D24-K28 PolarHBondContact O-N 2.85Å; K28-A30 VanDerWaalsContact C-N 3.31Å; K28-A30 PolarHBondContact O-N 2.88Å; K28-H31 PolarHBondContact O-N 3.5Å; K28-L32 WeakPolarHBondContact O-CB 3.19Å; K28-L32 PolarHBondContact O-N 2.92Å
29K90.6Very high91.6Very high99 Ų9995.2 Ų95.243%0.4348%0.482SS..Hα-helixtrans-62.6-36.5179.9-173.2177.6-178.2-176.70112.6K25 Q26 Y27 A35 K108K25-K29 VanDerWaalsContact O-CB 3.31Å; K25-K29 WeakPolarHBondContact O-CB 3.4Å; K25-K29 PolarHBondContact O-N 3.06Å; Q26-K29 PolarHBondContact O-N 3.37Å; Y27-K29 PolarHBondContact O-N 2.85Å; K29-A35 HydrophobicContact CG-CB 4.2Å; K29-K108 PolarHBondContact NZ-O 3.45Å
30A90.1Very high91.5Very high71 Ų7191.6 Ų91.659%0.58747%0.467SS*.Hα-helixtrans-74.1-42.9178.700000112.5Q26 Y27 K28Q26-A30 WeakPolarHBondContact O-CB 3.22Å; Q26-A30 PolarHBondContact O-N 2.88Å; Y27-A30 PolarHBondContact O-N 2.82Å; K28-A30 VanDerWaalsContact C-N 3.31Å; K28-A30 PolarHBondContact O-N 2.88Å
31H92.7Very high91.5Very high108 Ų10888.1 Ų88.150%0.545%0.451SS..Hα-helixtrans-91.3-17.2-171.6-63.277000114W22 Y27 K28 G33W22-H31 HydrophobicContact CH2-CB 3.83Å; W22-H31 HydrophobicContact CZ3-CB 3.96Å; Y27-H31 AromaticContact CD1-ND1 3.8Å; Y27-H31 AromaticContact CD2-CE1 3.31Å; Y27-H31 WeakPolarHBondContact CD2-CE1 3.38Å; Y27-H31 AromaticContact CD2-ND1 3.52Å; Y27-H31 HydrophobicContact CE1-CB 4.28Å; Y27-H31 AromaticContact CE1-CG 3.88Å; Y27-H31 AromaticContact CE1-ND1 3.8Å; Y27-H31 AromaticContact CE2-CE1 3.11Å; Y27-H31 WeakPolarHBondContact CE2-CE1 3.23Å; Y27-H31 AromaticContact CE2-ND1 3.52Å; Y27-H31 AromaticContact CE2-NE2 3.44Å; Y27-H31 WeakPolarHBondContact CE2-NE2 3.14Å; Y27-H31 AromaticContact CG-CE1 3.95Å; Y27-H31 AromaticContact CG-ND1 3.67Å; Y27-H31 AromaticContact CZ-CD2 3.8Å; Y27-H31 AromaticContact CZ-CE1 3.63Å; Y27-H31 AromaticContact CZ-CG 3.79Å; Y27-H31 AromaticContact CZ-ND1 3.66Å; Y27-H31 AromaticContact CZ-NE2 3.69Å; Y27-H31 PolarHBondContact O-N 3.29Å; Y27-H31 PolarHBondContact O-ND1 2.85Å; K28-H31 PolarHBondContact O-N 3.5Å; H31-G33 VanDerWaalsContact C-N 3.28Å
32L91.1Very high91.2Very high101 Ų10186 Ų8653%0.52945%0.453SS..THydrogen-bonded Turntrans-80.5-8.8175.7-165.263000112.8K28 T34K28-L32 WeakPolarHBondContact O-CB 3.19Å; K28-L32 PolarHBondContact O-N 2.92Å; L32-T34 WeakPolarHBondContact CD2-OG1 3.3Å; L32-T34 WeakPolarHBondContact CG-OG1 3.48Å; L32-T34 PolarHBondContact O-N 3.19Å; L32-T34 VanDerWaalsContact O-N 3.08Å
33G87.4Confident90.9Very high35 Ų3583.4 Ų83.436%0.36146%0.46SS..SBendtrans71.1-2.3-178.100000114.9H31 A35 L36 K37H31-G33 VanDerWaalsContact C-N 3.28Å; G33-A35 PolarHBondContact O-N 3.3Å; G33-L36 WeakPolarHBondContact O-CB 3.44Å; G33-L36 PolarHBondContact O-N 3.44Å; G33-K37 PolarHBondContact O-N 2.97Å; G33-K37 VanDerWaalsContact O-N 3.07Å
34T83.2Confident90.9Very high66 Ų6678.7 Ų78.741%0.40545%0.446SS..Hα-helixtrans-59.2-33.6179.1-37.30000111.9L32 L36 K37 A38L32-T34 WeakPolarHBondContact CD2-OG1 3.3Å; L32-T34 WeakPolarHBondContact CG-OG1 3.48Å; L32-T34 PolarHBondContact O-N 3.19Å; L32-T34 VanDerWaalsContact O-N 3.08Å; T34-L36 PolarHBondContact O-N 2.84Å; T34-K37 PolarHBondContact O-N 2.89Å; T34-A38 HydrophobicContact CG2-CB 4.21Å; T34-A38 VanDerWaalsContact O-CB 3.31Å; T34-A38 WeakPolarHBondContact O-CB 3.48Å; T34-A38 PolarHBondContact O-N 3.36Å
35A79.3Confident90.9Very high40 Ų4079.1 Ų79.133%0.33146%0.455SS..Hα-helixtrans-62.2-26.7175.300000113.4K29 G33 N39K29-A35 HydrophobicContact CG-CB 4.2Å; G33-A35 PolarHBondContact O-N 3.3Å; A35-N39 WeakPolarHBondContact O-CB 3.45Å
36L83.8Confident91.1Very high116 Ų11675.2 Ų75.261%0.60744%0.439SS*.Hα-helixtrans-87.6-47.6176.8-171.466.8000110.8G33 T34 G42G33-L36 WeakPolarHBondContact O-CB 3.44Å; G33-L36 PolarHBondContact O-N 3.44Å; T34-L36 PolarHBondContact O-N 2.84Å; L36-G42 WeakPolarHBondContact CD1-O 3.22Å
37K88.7Confident91.3Very high182 Ų18268.9 Ų68.979%0.79141%0.411SS*.Hα-helixtrans-66.7-48.9-176.4-174.1177.8-179.5177.20113.1G33 T34 K79G33-K37 PolarHBondContact O-N 2.97Å; G33-K37 VanDerWaalsContact O-N 3.07Å; T34-K37 PolarHBondContact O-N 2.89Å; K37-K79 PolarHBondContact O-NZ 2.84Å
38A91.7Very high91.5Very high65 Ų6570.5 Ų70.554%0.53742%0.419SS..THydrogen-bonded Turntrans-86.7-23.1-171.800000113.3T34 P40T34-A38 HydrophobicContact CG2-CB 4.21Å; T34-A38 VanDerWaalsContact O-CB 3.31Å; T34-A38 WeakPolarHBondContact O-CB 3.48Å; T34-A38 PolarHBondContact O-N 3.36Å; A38-P40 WeakPolarHBondContact O-CD 3.48Å
39N92.6Very high91.6Very high50 Ų5065.3 Ų65.327%0.26740%0.397SS..  trans-67.1125.2-179.3-178.51.3000110.4A35 F41 G42 G43A35-N39 WeakPolarHBondContact O-CB 3.45Å; N39-F41 PolarHBondContact O-N 3.14Å; N39-F41 VanDerWaalsContact O-N 3.16Å; N39-F41 PolarHBondContact OD1-N 2.89Å; N39-G42 PolarHBondContact O-N 3.05Å; N39-G43 PolarHBondContact ND2-N 2.97Å
40P95Very high92Very high27 Ų2763.9 Ų63.918%0.17539%0.393CS..THydrogen-bonded Turntrans-54.9-31.8173.9-26.635.5000113.1A38 G42 L74 N77 K79 I81 F120A38-P40 WeakPolarHBondContact O-CD 3.48Å; P40-G42 VanDerWaalsContact C-N 3.32Å; P40-G42 PolarHBondContact O-N 2.9Å; P40-L74 HydrophobicContact CB-CD1 3.93Å; P40-L74 VanDerWaalsContact O-CD1 3.23Å; P40-L74 WeakPolarHBondContact O-CD1 3.42Å; P40-N77 PolarHBondContact O-ND2 3.34Å; P40-K79 HydrophobicContact CB-CD 4.38Å; P40-I81 HydrophobicContact CB-CG2 3.68Å; P40-I81 HydrophobicContact CG-CG2 3.98Å; P40-F120 HydrophobicContact CB-CZ 4.19Å; P40-F120 HydrophobicContact CG-CE2 4.18Å; P40-F120 HydrophobicContact CG-CZ 3.94Å
41F95.4Very high92.4Very high6 Ų660.5 Ų60.53%0.02637%0.365CS..THydrogen-bonded Turntrans-83.5-3.8178.8-72.29.9000113.7N39 G43 A44 A47 L74 K76 I81 V102 F120N39-F41 PolarHBondContact O-N 3.14Å; N39-F41 VanDerWaalsContact O-N 3.16Å; N39-F41 PolarHBondContact OD1-N 2.89Å; F41-G43 PolarHBondContact O-N 3.46Å; F41-A44 WeakPolarHBondContact CB-O 3.47Å; F41-A44 WeakPolarHBondContact O-CB 3.46Å; F41-A44 PolarHBondContact O-N 2.89Å; F41-A44 VanDerWaalsContact O-N 3.1Å; F41-A47 HydrophobicContact CD1-CB 3.54Å; F41-A47 HydrophobicContact CD2-CB 4.46Å; F41-A47 HydrophobicContact CE1-CB 3.57Å; F41-A47 HydrophobicContact CE2-CB 4.47Å; F41-A47 HydrophobicContact CG-CB 4.02Å; F41-A47 HydrophobicContact CZ-CB 4.04Å; F41-L74 HydrophobicContact CD1-CD1 3.95Å; F41-L74 HydrophobicContact CE1-CD1 4.24Å; F41-L74 HydrophobicContact CE1-CD2 4.28Å; F41-K76 VanDerWaalsContact C-NZ 3.31Å; F41-K76 PolarHBondContact O-NZ 2.64Å; F41-I81 HydrophobicContact CE1-CD1 3.98Å; F41-V102 HydrophobicContact CE1-CB 4.49Å; F41-V102 HydrophobicContact CE1-CG1 4.4Å; F41-V102 HydrophobicContact CZ-CB 4.01Å; F41-V102 HydrophobicContact CZ-CG1 3.87Å; F41-V102 WeakPolarHBondContact CZ-O 3.34Å; F41-F120 AromaticContact CD1-CE1 3.92Å; F41-F120 HydrophobicContact CD1-CE1 3.92Å; F41-F120 HydrophobicContact CD1-CZ 4.37Å; F41-F120 HydrophobicContact CD2-CE1 4.23Å; F41-F120 AromaticContact CE1-CD1 3.76Å; F41-F120 HydrophobicContact CE1-CD1 3.76Å; F41-F120 AromaticContact CE1-CE1 3.61Å; F41-F120 HydrophobicContact CE1-CE1 3.61Å; F41-F120 HydrophobicContact CE1-CG 4.49Å; F41-F120 HydrophobicContact CE1-CZ 4.22Å; F41-F120 AromaticContact CE2-CD1 3.94Å; F41-F120 HydrophobicContact CE2-CD1 3.94Å; F41-F120 AromaticContact CE2-CE1 3.95Å; F41-F120 HydrophobicContact CE2-CE1 3.95Å; F41-F120 HydrophobicContact CG-CE1 4.23Å; F41-F120 AromaticContact CZ-CD1 3.44Å; F41-F120 HydrophobicContact CZ-CD1 3.44Å; F41-F120 VanDerWaalsContact CZ-CD1 3.44Å; F41-F120 AromaticContact CZ-CE1 3.63Å; F41-F120 HydrophobicContact CZ-CE1 3.63Å; F41-F120 HydrophobicContact CZ-CG 4.32Å
42G91.4Very high92.6Very high38 Ų3857.7 Ų57.739%0.39235%0.353SS..THydrogen-bonded Turntrans54.638.4179.900000113.2L36 N39 P40 A44L36-G42 WeakPolarHBondContact CD1-O 3.22Å; N39-G42 PolarHBondContact O-N 3.05Å; P40-G42 VanDerWaalsContact C-N 3.32Å; P40-G42 PolarHBondContact O-N 2.9Å; G42-A44 VanDerWaalsContact C-N 3.32Å; G42-A44 PolarHBondContact O-N 2.81Å
43G90.4Very high92.9Very high54 Ų5455.9 Ų55.956%0.55734%0.342SS*.THydrogen-bonded Turntrans85.8-12179.900000115.9N39 F41N39-G43 PolarHBondContact ND2-N 2.97Å; F41-G43 PolarHBondContact O-N 3.46Å
44A94.4Very high93.4Very high46 Ų4657.8 Ų57.838%0.3834%0.341SS..  trans-70.9156.1175.800000112.6F41 G42 H46F41-A44 WeakPolarHBondContact CB-O 3.47Å; F41-A44 WeakPolarHBondContact O-CB 3.46Å; F41-A44 PolarHBondContact O-N 2.89Å; F41-A44 VanDerWaalsContact O-N 3.1Å; G42-A44 VanDerWaalsContact C-N 3.32Å; G42-A44 PolarHBondContact O-N 2.81Å; A44-H46 WeakPolarHBondContact CB-O 3.34Å
45S95.7Very high94.1Very high91 Ų9156.4 Ų56.464%0.63633%0.332SS*.SBendtrans-73-35.6176.458.30000112.8
46H97.2Very high95Very high82 Ų8256.9 Ų56.938%0.3834%0.341SS..EExtended strand (participates in β ladder)trans-132.9160.5-178.3-60.678000110.5A44 L101 V102 A103A44-H46 WeakPolarHBondContact CB-O 3.34Å; H46-L101 HydrophobicContact CB-CD1 4.08Å; H46-V102 VanDerWaalsContact CA-O 3.3Å; H46-V102 WeakPolarHBondContact CA-O 3.43Å; H46-A103 VanDerWaalsContact CD2-CB 3.46Å; H46-A103 WeakPolarHBondContact CD2-CB 3.41Å
47A97.4Very high95.6Very high6 Ų652.5 Ų52.55%0.0532%0.319CS..EExtended strand (participates in β ladder)trans-144.1142.9169.600000110.5F41 L74 V102F41-A47 HydrophobicContact CD1-CB 3.54Å; F41-A47 HydrophobicContact CD2-CB 4.46Å; F41-A47 HydrophobicContact CE1-CB 3.57Å; F41-A47 HydrophobicContact CE2-CB 4.47Å; F41-A47 HydrophobicContact CG-CB 4.02Å; F41-A47 HydrophobicContact CZ-CB 4.04Å; A47-L74 HydrophobicContact CB-CD1 4.24Å; A47-L74 HydrophobicContact CB-CD2 3.64Å; A47-V102 PolarHBondContact N-O 3.42Å; A47-V102 PolarHBondContact O-N 2.94Å
48K98Very high96Very high89 Ų8950.2 Ų50.239%0.38731%0.311SS..EExtended strand (participates in β ladder)trans-86.2142171.9-172.5-173.3-85.1-137.40109.4I75 E99 V100K48-I75 HydrophobicContact CB-CD1 4.46Å; K48-I75 HydrophobicContact CD-CD1 3.7Å; K48-I75 HydrophobicContact CG-CD1 3.75Å; K48-I75 PolarHBondContact O-N 2.89Å; K48-E99 HydrophobicContact CD-CG 3.91Å; K48-E99 WeakPolarHBondContact CD-OE1 3.27Å; K48-E99 WeakPolarHBondContact CE-OE1 3.3Å; K48-E99 HydrophobicContact CG-CG 3.74Å; K48-E99 VanDerWaalsContact CG-OE1 3.23Å; K48-E99 WeakPolarHBondContact CG-OE1 3.23Å; K48-E99 IonicContact NZ-OE1 2.84Å; K48-E99 PolarHBondContact NZ-OE1 2.8Å; K48-E99 IonicContact NZ-OE2 2.93Å; K48-E99 PolarHBondContact NZ-OE2 2.89Å; K48-V100 WeakPolarHBondContact CA-O 3.47Å
49G98Very high96.3Very high0 Ų047.4 Ų47.40%029%0.288CS..EExtended strand (participates in β ladder)trans-152168.2-179.900000112.3Q73 V100G49-Q73 CarbonylContact C-O 3.57Å; G49-Q73 WeakPolarHBondContact CA-O 3.35Å; G49-V100 PolarHBondContact N-O 3.38Å; G49-V100 WeakPolarHBondContact O-CG2 3.39Å; G49-V100 PolarHBondContact O-N 3.03Å
50I98.2Very high96.5Very high69 Ų6949.8 Ų49.835%0.35430%0.296SS..EExtended strand (participates in β ladder)trans-106.8135.9176.6-61.3171.8000108.2V72 Q73 I75 D98I50-V72 CarbonylContact O-C 3.53Å; I50-V72 VanDerWaalsContact O-CA 3.31Å; I50-V72 WeakPolarHBondContact O-CA 3Å; I50-Q73 PolarHBondContact N-O 2.89Å; I50-Q73 PolarHBondContact O-N 2.69Å; I50-I75 HydrophobicContact CD1-CG1 4.3Å; I50-I75 HydrophobicContact CG1-CD1 4.25Å; I50-I75 HydrophobicContact CG1-CG1 4.06Å; I50-D98 WeakPolarHBondContact CA-O 3.27Å
51V98.4Very high96.5Very high0 Ų055.6 Ų55.60%032%0.321CS..EExtended strand (participates in β ladder)trans-71.9129175.7172.10000110.3V70 V72 I94 E95 N97 D98 V100V51-V70 HydrophobicContact CB-CG1 4.11Å; V51-V70 HydrophobicContact CG1-CG1 3.25Å; V51-V70 HydrophobicContact CG2-CG1 3.84Å; V51-V72 HydrophobicContact CG2-CG2 4.48Å; V51-I94 HydrophobicContact CB-CG2 4.5Å; V51-I94 HydrophobicContact CG1-CG2 4.31Å; V51-I94 HydrophobicContact CG2-CG2 3.75Å; V51-E95 WeakPolarHBondContact CB-O 3.42Å; V51-E95 WeakPolarHBondContact CG1-O 3.41Å; V51-N97 WeakPolarHBondContact O-CA 3.48Å; V51-N97 PolarHBondContact O-N 2.78Å; V51-D98 HydrophobicContact CG2-CB 4.49Å; V51-D98 PolarHBondContact N-O 2.89Å; V51-V100 HydrophobicContact CG2-CB 4.43Å; V51-V100 HydrophobicContact CG2-CG1 3.6Å; V51-V100 HydrophobicContact CG2-CG2 3.91Å
52L98.1Very high96.5Very high49 Ų4961.1 Ų61.126%0.25736%0.357SS..EExtended strand (participates in β ladder)trans-95.5-49.1174.3-61.4179.8000111.7R71 Q73 K80L52-R71 HydrophobicContact CB-CB 4.42Å; L52-R71 PolarHBondContact N-O 2.83Å; L52-Q73 HydrophobicContact CD1-CB 4.13Å; L52-Q73 HydrophobicContact CD2-CB 4.19Å; L52-Q73 HydrophobicContact CG-CB 4.18Å; L52-K80 HydrophobicContact CD1-CD 3.95Å; L52-K80 HydrophobicContact CD1-CG 4.11Å
53E97.7Very high96.8Very high62 Ų6262.8 Ų62.829%0.2936%0.357SS..EExtended strand (participates in β ladder)trans-157.7156.5-177.463.1178.6-151.600111V55 V70 R71E53-V55 HydrophobicContact CG-CG2 3.85Å; E53-V55 WeakPolarHBondContact OE1-CG2 3.45Å; E53-V70 WeakPolarHBondContact O-CG1 3.41Å; E53-R71 VanDerWaalsContact CD-NE 3.25Å; E53-R71 HydrophobicContact CG-CB 3.63Å; E53-R71 PolarHBondContact O-N 2.8Å; E53-R71 IonicContact OE1-CZ 3.32Å; E53-R71 IonicContact OE1-NE 3.24Å; E53-R71 PolarHBondContact OE1-NE 2.98Å; E53-R71 IonicContact OE1-NH1 3.62Å; E53-R71 PolarHBondContact OE1-NH1 3.24Å; E53-R71 IonicContact OE1-NH2 2.67Å; E53-R71 PolarHBondContact OE1-NH2 2.67Å; E53-R71 IonicContact OE2-CZ 2.69Å; E53-R71 IonicContact OE2-NE 3.52Å; E53-R71 IonicContact OE2-NH2 2.91Å; E53-R71 PolarHBondContact OE2-NH2 2.91Å
54K97.8Very high97Very high76 Ų7665.9 Ų65.933%0.3337%0.37SS..EExtended strand (participates in β ladder)trans-84.6128.4171.1-63.3171.6177171.40109.1L91 I94 E95K54-L91 HydrophobicContact CB-CD1 4.36Å; K54-L91 HydrophobicContact CD-CD1 4.36Å; K54-L91 HydrophobicContact CD-CD2 4.49Å; K54-L91 HydrophobicContact CD-CG 4.27Å; K54-L91 HydrophobicContact CG-CD1 4.05Å; K54-L91 HydrophobicContact CG-CG 4.47Å; K54-I94 WeakPolarHBondContact CE-O 3.5Å; K54-I94 PolarHBondContact NZ-O 2.89Å; K54-E95 IonicContact NZ-OE1 2.74Å; K54-E95 PolarHBondContact NZ-OE1 3.22Å; K54-E95 IonicContact NZ-OE2 2.98Å; K54-E95 PolarHBondContact NZ-OE2 3.4Å
55V97.2Very high97.1Very high36 Ų3665.3 Ų65.322%0.21837%0.365CS..EExtended strand (participates in β ladder)trans-122.6127.6-175.7-175.70000110.6E53 V57 C69 R71E53-V55 HydrophobicContact CG-CG2 3.85Å; E53-V55 WeakPolarHBondContact OE1-CG2 3.45Å; V55-V57 HydrophobicContact CG1-CG2 3.99Å; V55-C69 HydrophobicContact CB-CB 4.5Å; V55-C69 PolarHBondContact N-O 2.79Å; V55-C69 CarbonylContact O-C 3.44Å; V55-C69 WeakPolarHBondContact O-CA 3.3Å; V55-C69 PolarHBondContact O-N 2.84Å; V55-R71 HydrophobicContact CG2-CB 4.12Å
56G97Very high97.2Very high51 Ų5166.1 Ų66.153%0.52636%0.361SS..EExtended strand (participates in β ladder)trans-87.4116.4165.300000110.3
57V97.2Very high97.2Very high23 Ų2366 Ų6614%0.13936%0.358CS..EExtended strand (participates in β ladder)trans-103.4122.4176.4-178.10000109V55 R67 C69 I115 P116 V118V55-V57 HydrophobicContact CG1-CG2 3.99Å; V57-R67 HydrophobicContact CB-CB 4.49Å; V57-R67 PolarHBondContact N-O 3.33Å; V57-R67 WeakPolarHBondContact O-CA 3.38Å; V57-R67 WeakPolarHBondContact O-CB 3.46Å; V57-R67 PolarHBondContact O-N 3.04Å; V57-C69 HydrophobicContact CG2-CB 3.93Å; V57-I115 HydrophobicContact CG1-CG2 4.24Å; V57-P116 HydrophobicContact CG1-CG 3.59Å; V57-V118 HydrophobicContact CG2-CG2 4.39Å
58E97.5Very high97.2Very high134 Ų13470.7 Ų70.763%0.62638%0.377SS*.EExtended strand (participates in β ladder)trans-66137.4175.9-165.5176.4177.600111.2P116E58-P116 WeakPolarHBondContact O-CD 3.31Å; E58-P116 WeakPolarHBondContact O-CG 3.46Å
59A97.8Very high97.2Very high6 Ų666.5 Ų66.55%0.0536%0.358CS..PPolyproline II helixtrans-68.9150.5176.900000111.3N63 A65 R67 D114A59-N63 HydrophobicContact CB-CB 4.17Å; A59-A65 HydrophobicContact CB-CB 4.17Å; A59-A65 WeakPolarHBondContact CB-O 3.48Å; A59-A65 PolarHBondContact N-O 2.97Å; A59-R67 HydrophobicContact CB-CG 4.46Å; A59-D114 HydrophobicContact CB-CB 4.29Å
60K96.8Very high97.2Very high100 Ų10066.5 Ų66.544%0.43536%0.358SS..PPolyproline II helixtrans-69.5145.5169.8-67.3177.2-173176.20110.6N63 D114 P116K60-N63 PolarHBondContact O-N 2.91Å; K60-N63 VanDerWaalsContact O-N 3.11Å; K60-D114 HydrophobicContact CB-CB 4.38Å; K60-D114 WeakPolarHBondContact CG-O 3.21Å; K60-D114 PolarHBondContact N-O 2.83Å; K60-P116 HydrophobicContact CG-CB 4.27Å
61Q94.7Very high97.2Very high150 Ų15068 Ų6870%0.70136%0.36SS*.THydrogen-bonded Turntrans-51.3140.2165.1-62.3-57.9-40.300110.5
62P96.6Very high97.2Very high121 Ų12168 Ų6879%0.78636%0.36SS*.THydrogen-bonded Turncis-87.56.712.636.5-38.1000115.3
63N97Very high97.2Very high73 Ų7369.2 Ų69.239%0.3936%0.364SS..  trans-88.5148.8-175.5-61-19.9000111.3A59 K60 D114A59-N63 HydrophobicContact CB-CB 4.17Å; K60-N63 PolarHBondContact O-N 2.91Å; K60-N63 VanDerWaalsContact O-N 3.11Å; N63-D114 PolarHBondContact ND2-OD2 2.81Å
64S95.1Very high97.3Very high119 Ų11966.3 Ų66.383%0.83235%0.35SS*.  trans-118.3107.9168.2-176.90000109.3
65A96.4Very high97.2Very high34 Ų3467.2 Ų67.228%0.28136%0.358SS..  trans-164.8153.9177.900000111.2A59A59-A65 HydrophobicContact CB-CB 4.17Å; A59-A65 WeakPolarHBondContact CB-O 3.48Å; A59-A65 PolarHBondContact N-O 2.97Å
66I96.9Very high97.1Very high109 Ų10970.8 Ų70.856%0.55937%0.371SS*.EExtended strand (participates in β ladder)trans-101.1107.6169.4-59.5173.3000108.8K68I66-K68 PolarHBondContact O-N 2.93Å
67R97.4Very high97Very high80 Ų8071.4 Ų71.430%0.30236%0.362SS..EExtended strand (participates in β ladder)trans-77.9116.5177.5-59.9-68.7-175.6-154.3-2.8109.7V57 A59 C69 F84 D114 I115V57-R67 HydrophobicContact CB-CB 4.49Å; V57-R67 PolarHBondContact N-O 3.33Å; V57-R67 WeakPolarHBondContact O-CA 3.38Å; V57-R67 WeakPolarHBondContact O-CB 3.46Å; V57-R67 PolarHBondContact O-N 3.04Å; A59-R67 HydrophobicContact CB-CG 4.46Å; R67-C69 PolarHBondContact O-N 3.5Å; R67-F84 HydrophobicContact CB-CE2 4.3Å; R67-D114 IonicContact CZ-OD1 3.37Å; R67-D114 IonicContact CZ-OD2 3.58Å; R67-D114 IonicContact NE-OD1 2.89Å; R67-D114 PolarHBondContact NE-OD1 2.8Å; R67-D114 IonicContact NE-OD2 3.01Å; R67-D114 PolarHBondContact NE-OD2 2.9Å; R67-D114 IonicContact NH2-OD1 2.85Å; R67-D114 PolarHBondContact NH2-OD1 3.38Å; R67-D114 IonicContact NH2-OD2 3.41Å; R67-D114 PolarHBondContact NH2-OD2 3.08Å; R67-I115 HydrophobicContact CB-CD1 4.48Å; R67-I115 HydrophobicContact CB-CG1 4.44Å; R67-I115 HydrophobicContact CB-CG2 4.16Å; R67-I115 HydrophobicContact CG-CD1 4.41Å; R67-I115 HydrophobicContact CG-CG1 4.01Å; R67-I115 HydrophobicContact CG-CG2 4.41Å
68K97.9Very high97Very high104 Ų10471.9 Ų71.945%0.45237%0.372SS..EExtended strand (participates in β ladder)trans-71.5115.4-179.7-56.3-55.3-179.5175.30110.4I66 F84 V85 L91I66-K68 PolarHBondContact O-N 2.93Å; K68-F84 VanDerWaalsContact O-CD2 3.27Å; K68-F84 WeakPolarHBondContact O-CD2 3.31Å; K68-V85 PolarHBondContact O-N 2.85Å; K68-L91 HydrophobicContact CB-CB 4.37Å; K68-L91 HydrophobicContact CB-CD2 4.11Å; K68-L91 HydrophobicContact CD-CD2 4Å; K68-L91 HydrophobicContact CG-CD2 4.23Å
69C97.7Very high96.9Very high0 Ų069.3 Ų69.30%036%0.358CS..EExtended strand (participates in β ladder)trans-128.6171.7-179.1-61.60000110.2V55 V57 R67 T82 A83V55-C69 HydrophobicContact CB-CB 4.5Å; V55-C69 PolarHBondContact N-O 2.79Å; V55-C69 CarbonylContact O-C 3.44Å; V55-C69 WeakPolarHBondContact O-CA 3.3Å; V55-C69 PolarHBondContact O-N 2.84Å; V57-C69 HydrophobicContact CG2-CB 3.93Å; R67-C69 PolarHBondContact O-N 3.5Å; C69-T82 HydrophobicContact CB-CG2 3.79Å; C69-A83 CarbonylContact C-O 3.53Å; C69-A83 VanDerWaalsContact CA-O 3.26Å; C69-A83 WeakPolarHBondContact CA-O 3.44Å; C69-A83 WeakPolarHBondContact CB-O 3.47Å
70V98.1Very high96.9Very high0 Ų075.9 Ų75.90%039%0.386CS..EExtended strand (participates in β ladder)trans-135.6140.2177.6-150.50000109.1V51 E53 V72 T82 A83 V85 L91 I94 V122V51-V70 HydrophobicContact CB-CG1 4.11Å; V51-V70 HydrophobicContact CG1-CG1 3.25Å; V51-V70 HydrophobicContact CG2-CG1 3.84Å; E53-V70 WeakPolarHBondContact O-CG1 3.41Å; V70-V72 HydrophobicContact CB-CG2 4.32Å; V70-T82 WeakPolarHBondContact O-CA 3.44Å; V70-A83 PolarHBondContact N-O 3.46Å; V70-A83 PolarHBondContact O-N 3.18Å; V70-V85 HydrophobicContact CG2-CG2 3.19Å; V70-L91 HydrophobicContact CG2-CD1 4.27Å; V70-I94 HydrophobicContact CG1-CG2 4.41Å; V70-I94 HydrophobicContact CG2-CD1 4.06Å; V70-V122 HydrophobicContact CG2-CG2 4.41Å
71R98.4Very high97Very high102 Ų10271.7 Ų71.739%0.38537%0.368SS..EExtended strand (participates in β ladder)trans-87124170.2-148.814871.8173.5-0.4108L52 E53 V55 I81L52-R71 HydrophobicContact CB-CB 4.42Å; L52-R71 PolarHBondContact N-O 2.83Å; E53-R71 VanDerWaalsContact CD-NE 3.25Å; E53-R71 HydrophobicContact CG-CB 3.63Å; E53-R71 PolarHBondContact O-N 2.8Å; E53-R71 IonicContact OE1-CZ 3.32Å; E53-R71 IonicContact OE1-NE 3.24Å; E53-R71 PolarHBondContact OE1-NE 2.98Å; E53-R71 IonicContact OE1-NH1 3.62Å; E53-R71 PolarHBondContact OE1-NH1 3.24Å; E53-R71 IonicContact OE1-NH2 2.67Å; E53-R71 PolarHBondContact OE1-NH2 2.67Å; E53-R71 IonicContact OE2-CZ 2.69Å; E53-R71 IonicContact OE2-NE 3.52Å; E53-R71 IonicContact OE2-NH2 2.91Å; E53-R71 PolarHBondContact OE2-NH2 2.91Å; V55-R71 HydrophobicContact CG2-CB 4.12Å; R71-I81 CarbonylContact C-O 3.5Å; R71-I81 WeakPolarHBondContact CA-O 2.82Å
72V98.4Very high97.1Very high0 Ų066.8 Ų66.80%035%0.349CS..EExtended strand (participates in β ladder)trans-124.9131.4-172.5-179.90000109.2I50 V51 V70 K80 I81 A83 V100 V102I50-V72 CarbonylContact O-C 3.53Å; I50-V72 VanDerWaalsContact O-CA 3.31Å; I50-V72 WeakPolarHBondContact O-CA 3Å; V51-V72 HydrophobicContact CG2-CG2 4.48Å; V70-V72 HydrophobicContact CB-CG2 4.32Å; V72-K80 CarbonylContact O-C 3.59Å; V72-K80 WeakPolarHBondContact O-CA 3.23Å; V72-I81 HydrophobicContact CB-CG1 4.01Å; V72-I81 PolarHBondContact N-O 3.5Å; V72-I81 WeakPolarHBondContact O-CG1 3.19Å; V72-I81 PolarHBondContact O-N 2.84Å; V72-A83 HydrophobicContact CG2-CB 4.41Å; V72-V100 HydrophobicContact CB-CG2 4.45Å; V72-V100 HydrophobicContact CG1-CG2 3.72Å; V72-V100 HydrophobicContact CG2-CG2 3.81Å; V72-V102 HydrophobicContact CG1-CG2 4.08Å; V72-V102 HydrophobicContact CG2-CG2 4.46Å
73Q98.3Very high97.2Very high73 Ų7361 Ų6134%0.34131%0.311SS..EExtended strand (participates in β ladder)trans-96.1120.8168.9-174.7168.1-5.500109.6G49 I50 L52 I75G49-Q73 CarbonylContact C-O 3.57Å; G49-Q73 WeakPolarHBondContact CA-O 3.35Å; I50-Q73 PolarHBondContact N-O 2.89Å; I50-Q73 PolarHBondContact O-N 2.69Å; L52-Q73 HydrophobicContact CD1-CB 4.13Å; L52-Q73 HydrophobicContact CD2-CB 4.19Å; L52-Q73 HydrophobicContact CG-CB 4.18Å; Q73-I75 PolarHBondContact O-N 3.1Å
74L98.1Very high97.2Very high1 Ų159.3 Ų59.31%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-70.6129.9178.8-64.7-176.8000110.8P40 F41 A47 K76 N77 G78 K79 I81P40-L74 HydrophobicContact CB-CD1 3.93Å; P40-L74 VanDerWaalsContact O-CD1 3.23Å; P40-L74 WeakPolarHBondContact O-CD1 3.42Å; F41-L74 HydrophobicContact CD1-CD1 3.95Å; F41-L74 HydrophobicContact CE1-CD1 4.24Å; F41-L74 HydrophobicContact CE1-CD2 4.28Å; A47-L74 HydrophobicContact CB-CD1 4.24Å; A47-L74 HydrophobicContact CB-CD2 3.64Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.91Å; L74-N77 VanDerWaalsContact CB-OD1 3.27Å; L74-N77 WeakPolarHBondContact CB-OD1 3.32Å; L74-G78 VanDerWaalsContact O-CA 3.3Å; L74-G78 WeakPolarHBondContact O-CA 3.46Å; L74-G78 PolarHBondContact O-N 3.39Å; L74-K79 PolarHBondContact N-O 2.94Å; L74-I81 HydrophobicContact CD1-CD1 4.41Å; L74-I81 HydrophobicContact CD1-CG2 4.46Å; L74-I81 HydrophobicContact CD2-CD1 3.73Å; L74-I81 HydrophobicContact CD2-CG1 4.37Å; L74-I81 HydrophobicContact CG-CD1 4.13Å; L74-I81 HydrophobicContact CG-CG1 4.43Å
75I97.3Very high97.4Very high96 Ų9653.8 Ų53.849%0.49226%0.261SS..THydrogen-bonded Turntrans-62.6-41.1-176.5-64.2174.5000111.1K48 I50 Q73 N77 E99K48-I75 HydrophobicContact CB-CD1 4.46Å; K48-I75 HydrophobicContact CD-CD1 3.7Å; K48-I75 HydrophobicContact CG-CD1 3.75Å; K48-I75 PolarHBondContact O-N 2.89Å; I50-I75 HydrophobicContact CD1-CG1 4.3Å; I50-I75 HydrophobicContact CG1-CD1 4.25Å; I50-I75 HydrophobicContact CG1-CG1 4.06Å; Q73-I75 PolarHBondContact O-N 3.1Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.02Å; I75-E99 HydrophobicContact CD1-CG 4.35Å
76K95.2Very high97.4Very high111 Ų11153.5 Ų53.548%0.48326%0.257SS..THydrogen-bonded Turntrans-69-23.8-172.765.4175.9170.2-1670115.9F41 L74F41-K76 VanDerWaalsContact C-NZ 3.31Å; F41-K76 PolarHBondContact O-NZ 2.64Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.91Å
77N94.9Very high97.4Very high63 Ų6352.2 Ų52.234%0.33725%0.251SS..THydrogen-bonded Turntrans-147.44.4-171.362.411.6000114.3P40 L74 I75 K79P40-N77 PolarHBondContact O-ND2 3.34Å; L74-N77 VanDerWaalsContact CB-OD1 3.27Å; L74-N77 WeakPolarHBondContact CB-OD1 3.32Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.02Å; N77-K79 PolarHBondContact O-N 3.39Å; N77-K79 WeakPolarHBondContact OD1-CB 3.07Å; N77-K79 PolarHBondContact OD1-N 3.34Å
78G95.8Very high97.2Very high34 Ų3455.1 Ų55.135%0.35127%0.272SS..  trans654.517900000115.2L74 K80L74-G78 VanDerWaalsContact O-CA 3.3Å; L74-G78 WeakPolarHBondContact O-CA 3.46Å; L74-G78 PolarHBondContact O-N 3.39Å; G78-K80 PolarHBondContact O-N 3.16Å
79K96.8Very high97.1Very high79 Ų7951.8 Ų51.834%0.34327%0.268SS..  trans-68.8128.7-179.2-70.1-176.9178.2-179.90109.6K37 P40 L74 N77K37-K79 PolarHBondContact O-NZ 2.84Å; P40-K79 HydrophobicContact CB-CD 4.38Å; L74-K79 PolarHBondContact N-O 2.94Å; N77-K79 PolarHBondContact O-N 3.39Å; N77-K79 WeakPolarHBondContact OD1-CB 3.07Å; N77-K79 PolarHBondContact OD1-N 3.34Å
80K97.7Very high97Very high144 Ų14451.8 Ų51.863%0.62627%0.268SS*.EExtended strand (participates in β ladder)trans-81.8130.3173.7-60.2-177.9-178-177.80109.6L52 V72 G78L52-K80 HydrophobicContact CD1-CD 3.95Å; L52-K80 HydrophobicContact CD1-CG 4.11Å; V72-K80 CarbonylContact O-C 3.59Å; V72-K80 WeakPolarHBondContact O-CA 3.23Å; G78-K80 PolarHBondContact O-N 3.16Å
81I97.4Very high97Very high12 Ų1253.2 Ų53.26%0.06228%0.275CS..EExtended strand (participates in β ladder)trans-132.1157.4177.562.8171.1000110P40 F41 R71 V72 L74 V102 F120P40-I81 HydrophobicContact CB-CG2 3.68Å; P40-I81 HydrophobicContact CG-CG2 3.98Å; F41-I81 HydrophobicContact CE1-CD1 3.98Å; R71-I81 CarbonylContact C-O 3.5Å; R71-I81 WeakPolarHBondContact CA-O 2.82Å; V72-I81 HydrophobicContact CB-CG1 4.01Å; V72-I81 PolarHBondContact N-O 3.5Å; V72-I81 WeakPolarHBondContact O-CG1 3.19Å; V72-I81 PolarHBondContact O-N 2.84Å; L74-I81 HydrophobicContact CD1-CD1 4.41Å; L74-I81 HydrophobicContact CD1-CG2 4.46Å; L74-I81 HydrophobicContact CD2-CD1 3.73Å; L74-I81 HydrophobicContact CD2-CG1 4.37Å; L74-I81 HydrophobicContact CG-CD1 4.13Å; L74-I81 HydrophobicContact CG-CG1 4.43Å; I81-V102 HydrophobicContact CD1-CB 4.45Å; I81-V102 HydrophobicContact CD1-CG1 3.95Å; I81-V102 HydrophobicContact CD1-CG2 4.48Å; I81-F120 HydrophobicContact CB-CD2 4.14Å; I81-F120 HydrophobicContact CB-CE2 4.21Å; I81-F120 HydrophobicContact CD1-CD2 4Å; I81-F120 HydrophobicContact CD1-CE2 4.37Å; I81-F120 HydrophobicContact CD1-CG 4.24Å; I81-F120 HydrophobicContact CG2-CD2 4.46Å; I81-F120 HydrophobicContact CG2-CE2 4.03Å
82T97.9Very high96.8Very high48 Ų4854.4 Ų54.429%0.29429%0.289SS..EExtended strand (participates in β ladder)trans-103.5129.4167.6-50.70000108.7C69 V70 V118C69-T82 HydrophobicContact CB-CG2 3.79Å; V70-T82 WeakPolarHBondContact O-CA 3.44Å; T82-V118 HydrophobicContact CG2-CG2 3.82Å
83A98Very high96.7Very high0 Ų057.4 Ų57.40%030%0.302CS..EExtended strand (participates in β ladder)trans-121.8139177.400000110.6C69 V70 V72 V102 F120 V122C69-A83 CarbonylContact C-O 3.53Å; C69-A83 VanDerWaalsContact CA-O 3.26Å; C69-A83 WeakPolarHBondContact CA-O 3.44Å; C69-A83 WeakPolarHBondContact CB-O 3.47Å; V70-A83 PolarHBondContact N-O 3.46Å; V70-A83 PolarHBondContact O-N 3.18Å; V72-A83 HydrophobicContact CG2-CB 4.41Å; A83-V102 HydrophobicContact CB-CG1 3.88Å; A83-F120 WeakPolarHBondContact CA-O 3.11Å; A83-F120 HydrophobicContact CB-CB 4.14Å; A83-V122 HydrophobicContact CB-CG2 4.06Å
84F98.2Very high96.6Very high36 Ų3653.9 Ų53.916%0.15829%0.286CS..EExtended strand (participates in β ladder)trans-77.4141.8175.4177.4-117.7000111.2R67 K68 P86 F105 I115 V118 F120 K121 V122R67-F84 HydrophobicContact CB-CE2 4.3Å; K68-F84 VanDerWaalsContact O-CD2 3.27Å; K68-F84 WeakPolarHBondContact O-CD2 3.31Å; F84-P86 HydrophobicContact CD1-CB 4.37Å; F84-P86 HydrophobicContact CE1-CB 4.09Å; F84-F105 HydrophobicContact CB-CE2 3.62Å; F84-F105 HydrophobicContact CB-CZ 4.3Å; F84-F105 AromaticContact CD1-CE2 3.84Å; F84-F105 HydrophobicContact CD1-CE2 3.84Å; F84-F105 AromaticContact CD1-CZ 3.63Å; F84-F105 HydrophobicContact CD1-CZ 3.63Å; F84-F105 HydrophobicContact CE1-CZ 4.3Å; F84-F105 HydrophobicContact CG-CE2 4.02Å; F84-F105 HydrophobicContact CG-CZ 4.21Å; F84-I115 HydrophobicContact CB-CD1 4.28Å; F84-I115 HydrophobicContact CD1-CD1 4.16Å; F84-I115 HydrophobicContact CD2-CD1 3.56Å; F84-I115 HydrophobicContact CE1-CD1 4.38Å; F84-I115 HydrophobicContact CE2-CD1 3.85Å; F84-I115 HydrophobicContact CG-CD1 3.74Å; F84-I115 HydrophobicContact CZ-CD1 4.25Å; F84-V118 HydrophobicContact CB-CG1 3.93Å; F84-F120 PolarHBondContact N-O 3.42Å; F84-K121 CarbonylContact O-C 3.57Å; F84-K121 VanDerWaalsContact O-CA 3.31Å; F84-K121 WeakPolarHBondContact O-CA 3.43Å; F84-V122 PolarHBondContact O-N 3.36Å
85V97.8Very high96.5Very high3 Ų357.5 Ų57.52%0.01830%0.303CS..  trans-96.6112.5170.1-171.40000108.2K68 V70 C90 L91 I94 V122 L130K68-V85 PolarHBondContact O-N 2.85Å; V70-V85 HydrophobicContact CG2-CG2 3.19Å; V85-C90 HydrophobicContact CG1-CB 3.57Å; V85-L91 HydrophobicContact CG2-CD1 3.96Å; V85-I94 HydrophobicContact CB-CD1 4.47Å; V85-I94 HydrophobicContact CG1-CD1 3.91Å; V85-I94 HydrophobicContact CG2-CD1 3.66Å; V85-V122 HydrophobicContact CG2-CG2 4.35Å; V85-L130 HydrophobicContact CG1-CD1 3.95Å
86P96.8Very high96.4Very high28 Ų2858.1 Ų58.118%0.18230%0.303CS..  trans-77.5157.9-178.432.4-33.8000112F84 C90 L130F84-P86 HydrophobicContact CD1-CB 4.37Å; F84-P86 HydrophobicContact CE1-CB 4.09Å; P86-C90 WeakPolarHBondContact O-CB 3.45Å; P86-C90 PolarHBondContact O-SG 2.97Å; P86-C90 VanDerWaalsContact O-SG 3.37Å; P86-L130 HydrophobicContact CG-CD2 3.92Å
87N96.2Very high96.4Very high83 Ų8359 Ų5944%0.44431%0.313SS..SBendtrans65.7162.6-178.6-49.1-33.2000114.3Y134N87-Y134 HydrophobicContact CB-CD1 4.49Å; N87-Y134 HydrophobicContact CB-CD2 4.03Å; N87-Y134 HydrophobicContact CB-CE1 4.4Å; N87-Y134 HydrophobicContact CB-CE2 3.94Å; N87-Y134 HydrophobicContact CB-CG 4.32Å
88D95.1Very high96.5Very high140 Ų14056.9 Ų56.975%0.74930%0.302SS*.SBendtrans-74.3147-179-168.718000111.9C90 Y134D88-C90 PolarHBondContact O-N 3.37Å; D88-Y134 WeakPolarHBondContact O-CE2 3.36Å
89G94.5Very high96.6Very high34 Ų3458.1 Ų58.135%0.35130%0.299SS..SBendtrans66.7-9.9179.400000115.8L91 N92G89-L91 PolarHBondContact O-N 3.46Å; G89-N92 VanDerWaalsContact O-CB 3.29Å; G89-N92 WeakPolarHBondContact O-CB 3.38Å; G89-N92 PolarHBondContact O-N 3.08Å
90C97Very high96.6Very high0 Ų054.3 Ų54.30%028%0.282CS..G310 helixtrans-64.5-17-173.2-80.50000115V85 P86 D88 N92 F93 L130 Y134V85-C90 HydrophobicContact CG1-CB 3.57Å; P86-C90 WeakPolarHBondContact O-CB 3.45Å; P86-C90 PolarHBondContact O-SG 2.97Å; P86-C90 VanDerWaalsContact O-SG 3.37Å; D88-C90 PolarHBondContact O-N 3.37Å; C90-N92 PolarHBondContact O-N 3.32Å; C90-F93 HydrophobicContact CB-CD2 4.36Å; C90-F93 PolarHBondContact O-N 3.24Å; C90-L130 HydrophobicContact CB-CD1 4.33Å; C90-L130 HydrophobicContact CB-CD2 3.88Å; C90-L130 HydrophobicContact CB-CG 4.31Å; C90-L130 VanDerWaalsContact SG-CD2 3.53Å; C90-Y134 VanDerWaalsContact SG-CD2 3.59Å
91L96.2Very high96.7Very high31 Ų3149.7 Ų49.716%0.16226%0.264CS..G310 helixtrans-63.4-27.1172.7-170.967000111.8K54 K68 V70 V85 G89 F93 I94K54-L91 HydrophobicContact CB-CD1 4.36Å; K54-L91 HydrophobicContact CD-CD1 4.36Å; K54-L91 HydrophobicContact CD-CD2 4.49Å; K54-L91 HydrophobicContact CD-CG 4.27Å; K54-L91 HydrophobicContact CG-CD1 4.05Å; K54-L91 HydrophobicContact CG-CG 4.47Å; K68-L91 HydrophobicContact CB-CB 4.37Å; K68-L91 HydrophobicContact CB-CD2 4.11Å; K68-L91 HydrophobicContact CD-CD2 4Å; K68-L91 HydrophobicContact CG-CD2 4.23Å; V70-L91 HydrophobicContact CG2-CD1 4.27Å; V85-L91 HydrophobicContact CG2-CD1 3.96Å; G89-L91 PolarHBondContact O-N 3.46Å; L91-F93 PolarHBondContact O-N 3.09Å; L91-I94 PolarHBondContact O-N 3.21Å
92N95.9Very high96.7Very high126 Ų12649.1 Ų49.167%0.67426%0.261SS*.G310 helixtrans-71-16.3179.8-58.4-14.6000112.8G89 C90 I94G89-N92 VanDerWaalsContact O-CB 3.29Å; G89-N92 WeakPolarHBondContact O-CB 3.38Å; G89-N92 PolarHBondContact O-N 3.08Å; C90-N92 PolarHBondContact O-N 3.32Å; N92-I94 VanDerWaalsContact C-N 3.34Å
93F95.5Very high96.7Very high63 Ų6347.1 Ų47.128%0.27625%0.25SC..G310 helixtrans-85.1-10.1176-63.4-56.6000113.5C90 L91 L133C90-F93 HydrophobicContact CB-CD2 4.36Å; C90-F93 PolarHBondContact O-N 3.24Å; L91-F93 PolarHBondContact O-N 3.09Å; F93-L133 HydrophobicContact CB-CD1 4.04Å; F93-L133 HydrophobicContact CD1-CB 4.18Å; F93-L133 HydrophobicContact CD2-CB 4.04Å; F93-L133 HydrophobicContact CE1-CB 4.24Å; F93-L133 HydrophobicContact CE2-CB 4.13Å; F93-L133 HydrophobicContact CG-CB 4.09Å; F93-L133 HydrophobicContact CG-CD1 4.2Å; F93-L133 HydrophobicContact CZ-CB 4.22Å
94I96.1Very high96.6Very high0 Ų048.7 Ų48.70%027%0.266CS..  trans-109.9129.1-174.5-61.3173.5000107.6V51 K54 V70 V85 L91 N92 V122 V125 L130V51-I94 HydrophobicContact CB-CG2 4.5Å; V51-I94 HydrophobicContact CG1-CG2 4.31Å; V51-I94 HydrophobicContact CG2-CG2 3.75Å; K54-I94 WeakPolarHBondContact CE-O 3.5Å; K54-I94 PolarHBondContact NZ-O 2.89Å; V70-I94 HydrophobicContact CG1-CG2 4.41Å; V70-I94 HydrophobicContact CG2-CD1 4.06Å; V85-I94 HydrophobicContact CB-CD1 4.47Å; V85-I94 HydrophobicContact CG1-CD1 3.91Å; V85-I94 HydrophobicContact CG2-CD1 3.66Å; L91-I94 PolarHBondContact O-N 3.21Å; N92-I94 VanDerWaalsContact C-N 3.34Å; I94-V122 HydrophobicContact CD1-CG1 4.17Å; I94-V122 HydrophobicContact CD1-CG2 4.4Å; I94-V125 HydrophobicContact CD1-CG2 4.02Å; I94-V125 HydrophobicContact CG1-CB 4.43Å; I94-V125 HydrophobicContact CG1-CG1 4.04Å; I94-V125 HydrophobicContact CG1-CG2 3.53Å; I94-L130 HydrophobicContact CD1-CD1 4.15Å
95E95.7Very high96.4Very high76 Ų7649.2 Ų49.236%0.35527%0.268SS..  trans-110.9168.1168.2-62.8-54.4146.800112.4V51 K54 D98 R140V51-E95 WeakPolarHBondContact CB-O 3.42Å; V51-E95 WeakPolarHBondContact CG1-O 3.41Å; K54-E95 IonicContact NZ-OE1 2.74Å; K54-E95 PolarHBondContact NZ-OE1 3.22Å; K54-E95 IonicContact NZ-OE2 2.98Å; K54-E95 PolarHBondContact NZ-OE2 3.4Å; E95-D98 PolarHBondContact N-OD2 2.94Å; E95-D98 WeakPolarHBondContact O-CB 2.95Å; E95-D98 PolarHBondContact O-N 3.37Å; E95-R140 VanDerWaalsContact CG-NH1 3.3Å
96E95.9Very high96.2Very high109 Ų10952.5 Ų52.551%0.50930%0.303SS..THydrogen-bonded Turntrans-62.7146169.6-65.5-178.5177.800110.2D98E96-D98 PolarHBondContact O-N 2.99Å; E96-D98 VanDerWaalsContact O-N 3.14Å
97N96.1Very high96.1Very high129 Ų12958.1 Ų58.169%0.6932%0.32SS*.THydrogen-bonded Turntrans65.62.1-173.7-50.1-38.7000115.7V51V51-N97 WeakPolarHBondContact O-CA 3.48Å; V51-N97 PolarHBondContact O-N 2.78Å
98D96.3Very high95.8Very high19 Ų1962 Ų6210%0.10233%0.333CS..  trans-65.3144.1173.5-88.3-13.6000111.6I50 V51 E95 E96 V125 R140I50-D98 WeakPolarHBondContact CA-O 3.27Å; V51-D98 HydrophobicContact CG2-CB 4.49Å; V51-D98 PolarHBondContact N-O 2.89Å; E95-D98 PolarHBondContact N-OD2 2.94Å; E95-D98 WeakPolarHBondContact O-CB 2.95Å; E95-D98 PolarHBondContact O-N 3.37Å; E96-D98 PolarHBondContact O-N 2.99Å; E96-D98 VanDerWaalsContact O-N 3.14Å; D98-V125 HydrophobicContact CB-CG1 4.25Å; D98-R140 VanDerWaalsContact CG-NH2 3.26Å; D98-R140 IonicContact OD1-NH2 3.72Å; D98-R140 PolarHBondContact OD1-NH2 2.95Å; D98-R140 IonicContact OD2-CZ 2.68Å; D98-R140 IonicContact OD2-NE 3.41Å; D98-R140 IonicContact OD2-NH2 3.33Å; D98-R140 PolarHBondContact OD2-NH2 2.94Å
99E97.1Very high95.6Very high60 Ų6057.3 Ų57.328%0.2832%0.318SS..EExtended strand (participates in β ladder)trans-78.9127169.1-158.9-151.8105.400110.5K48 I75 A126K48-E99 HydrophobicContact CD-CG 3.91Å; K48-E99 WeakPolarHBondContact CD-OE1 3.27Å; K48-E99 WeakPolarHBondContact CE-OE1 3.3Å; K48-E99 HydrophobicContact CG-CG 3.74Å; K48-E99 VanDerWaalsContact CG-OE1 3.23Å; K48-E99 WeakPolarHBondContact CG-OE1 3.23Å; K48-E99 IonicContact NZ-OE1 2.84Å; K48-E99 PolarHBondContact NZ-OE1 2.8Å; K48-E99 IonicContact NZ-OE2 2.93Å; K48-E99 PolarHBondContact NZ-OE2 2.89Å; I75-E99 HydrophobicContact CD1-CG 4.35Å; E99-A126 PolarHBondContact O-N 3.3Å
100V98Very high95.6Very high0 Ų060.7 Ų60.70%032%0.324CS..EExtended strand (participates in β ladder)trans-125.7143.4-179.9-66.50000112.2K48 G49 V51 V72 V102 V122 K124 V125K48-V100 WeakPolarHBondContact CA-O 3.47Å; G49-V100 PolarHBondContact N-O 3.38Å; G49-V100 WeakPolarHBondContact O-CG2 3.39Å; G49-V100 PolarHBondContact O-N 3.03Å; V51-V100 HydrophobicContact CG2-CB 4.43Å; V51-V100 HydrophobicContact CG2-CG1 3.6Å; V51-V100 HydrophobicContact CG2-CG2 3.91Å; V72-V100 HydrophobicContact CB-CG2 4.45Å; V72-V100 HydrophobicContact CG1-CG2 3.72Å; V72-V100 HydrophobicContact CG2-CG2 3.81Å; V100-V102 HydrophobicContact CG2-CG2 4.02Å; V100-V122 HydrophobicContact CB-CG1 4.35Å; V100-V122 HydrophobicContact CG1-CG1 4.35Å; V100-K124 CarbonylContact C-O 3.47Å; V100-K124 VanDerWaalsContact CA-O 3.3Å; V100-K124 WeakPolarHBondContact CA-O 3.41Å; V100-V125 HydrophobicContact CG1-CB 4.48Å; V100-V125 HydrophobicContact CG1-CG1 4.25Å; V100-V125 HydrophobicContact CG1-CG2 4.21Å
101L98.3Very high95.6Very high46 Ų4661.8 Ų61.824%0.24133%0.333CS..EExtended strand (participates in β ladder)trans-93.9122.6167.2-173.168.1000109.4H46 V123 K124H46-L101 HydrophobicContact CB-CD1 4.08Å; L101-V123 PolarHBondContact O-N 3.07Å; L101-K124 HydrophobicContact CB-CB 3.74Å; L101-K124 HydrophobicContact CB-CG 4.14Å; L101-K124 HydrophobicContact CD2-CD 3.98Å; L101-K124 HydrophobicContact CD2-CG 3.98Å; L101-K124 PolarHBondContact N-O 3.27Å; L101-K124 PolarHBondContact O-N 3.45Å
102V98Very high95.5Very high0 Ų061.8 Ų61.80%034%0.335CS..EExtended strand (participates in β ladder)trans-110.6138.4-177.6-168.70000110.3F41 H46 A47 V72 I81 A83 V100 F120 K121F41-V102 HydrophobicContact CE1-CB 4.49Å; F41-V102 HydrophobicContact CE1-CG1 4.4Å; F41-V102 HydrophobicContact CZ-CB 4.01Å; F41-V102 HydrophobicContact CZ-CG1 3.87Å; F41-V102 WeakPolarHBondContact CZ-O 3.34Å; H46-V102 VanDerWaalsContact CA-O 3.3Å; H46-V102 WeakPolarHBondContact CA-O 3.43Å; A47-V102 PolarHBondContact N-O 3.42Å; A47-V102 PolarHBondContact O-N 2.94Å; V72-V102 HydrophobicContact CG1-CG2 4.08Å; V72-V102 HydrophobicContact CG2-CG2 4.46Å; I81-V102 HydrophobicContact CD1-CB 4.45Å; I81-V102 HydrophobicContact CD1-CG1 3.95Å; I81-V102 HydrophobicContact CD1-CG2 4.48Å; A83-V102 HydrophobicContact CB-CG1 3.88Å; V100-V102 HydrophobicContact CG2-CG2 4.02Å; V102-F120 HydrophobicContact CG1-CB 3.6Å; V102-F120 HydrophobicContact CG1-CG 4.26Å; V102-K121 WeakPolarHBondContact CA-O 3.44Å; V102-K121 WeakPolarHBondContact CG1-O 3.22Å
103A97.8Very high95.5Very high6 Ų658.7 Ų58.75%0.0533%0.332CS..EExtended strand (participates in β ladder)trans-120.2161.3173.900000111.6H46 F120 K121 V123H46-A103 VanDerWaalsContact CD2-CB 3.46Å; H46-A103 WeakPolarHBondContact CD2-CB 3.41Å; A103-F120 CarbonylContact O-C 3.6Å; A103-F120 WeakPolarHBondContact O-CA 3.44Å; A103-F120 WeakPolarHBondContact O-CB 3.24Å; A103-K121 HydrophobicContact CB-CG 4.38Å; A103-K121 PolarHBondContact N-O 2.93Å; A103-K121 PolarHBondContact O-N 3.27Å; A103-V123 HydrophobicContact CB-CG2 3.5Å; A103-V123 VanDerWaalsContact CB-CG2 3.5Å
104G96.4Very high95.6Very high33 Ų3356.7 Ų56.734%0.3433%0.325SS..EExtended strand (participates in β ladder)trans-67.5153166.300000112.3G106G104-G106 PolarHBondContact O-N 3.3Å
105F94.7Very high95.5Very high48 Ų4857 Ų5721%0.21133%0.326CS..  trans-79.32.5179.7-132.2-64.2000114.2F84 V112 I115 R119 F120 K121F84-F105 HydrophobicContact CB-CE2 3.62Å; F84-F105 HydrophobicContact CB-CZ 4.3Å; F84-F105 AromaticContact CD1-CE2 3.84Å; F84-F105 HydrophobicContact CD1-CE2 3.84Å; F84-F105 AromaticContact CD1-CZ 3.63Å; F84-F105 HydrophobicContact CD1-CZ 3.63Å; F84-F105 HydrophobicContact CE1-CZ 4.3Å; F84-F105 HydrophobicContact CG-CE2 4.02Å; F84-F105 HydrophobicContact CG-CZ 4.21Å; F105-V112 HydrophobicContact CB-CB 4.28Å; F105-V112 HydrophobicContact CB-CG2 3.53Å; F105-V112 HydrophobicContact CD1-CB 3.42Å; F105-V112 VanDerWaalsContact CD1-CB 3.42Å; F105-V112 HydrophobicContact CD1-CG1 3.65Å; F105-V112 HydrophobicContact CD1-CG2 3.4Å; F105-V112 VanDerWaalsContact CD1-CG2 3.4Å; F105-V112 HydrophobicContact CD2-CB 4.41Å; F105-V112 HydrophobicContact CE1-CB 3.7Å; F105-V112 HydrophobicContact CE1-CG1 3.63Å; F105-V112 HydrophobicContact CE1-CG2 4.2Å; F105-V112 HydrophobicContact CG-CB 3.8Å; F105-V112 HydrophobicContact CG-CG2 3.59Å; F105-V112 HydrophobicContact CZ-CB 4.32Å; F105-V112 HydrophobicContact CZ-CG1 4.5Å; F105-I115 HydrophobicContact CE2-CD1 4.26Å; F105-I115 HydrophobicContact CZ-CD1 4.12Å; F105-R119 WeakPolarHBondContact CB-O 3.37Å; F105-R119 PolarHBondContact N-O 2.94Å; F105-F120 WeakPolarHBondContact CD2-O 3.42Å; F105-K121 HydrophobicContact CD2-CB 4.28Å; F105-K121 HydrophobicContact CE2-CB 4.33Å
106G93.6Very high95.6Very high72 Ų7255.8 Ų55.874%0.74233%0.325SS*.SBendtrans93-12.2177.100000116.2G104 K108G104-G106 PolarHBondContact O-N 3.3Å; G106-K108 PolarHBondContact O-N 3.2Å
107R93.9Very high95.6Very high146 Ų14653.5 Ų53.555%0.55133%0.33SS*.SBendtrans-94.341.8176.8-67.1-17580.8-164.314.1114.3G109 H110 A111 V112R107-G109 PolarHBondContact O-N 2.92Å; R107-H110 HydrophobicContact CB-CB 4.04Å; R107-H110 VanDerWaalsContact O-CB 3.32Å; R107-H110 WeakPolarHBondContact O-CB 3.46Å; R107-H110 PolarHBondContact O-CD2 3.22Å; R107-H110 PolarHBondContact O-N 2.95Å; R107-A111 PolarHBondContact NH1-O 3.31Å; R107-V112 HydrophobicContact CB-CG2 4.05Å; R107-V112 VanDerWaalsContact CD-CG2 3.49Å; R107-V112 HydrophobicContact CG-CG2 3.63Å
108K90.4Very high95.6Very high163 Ų16347.5 Ų47.571%0.70930%0.298SS*.THydrogen-bonded Turntrans49.336.5174.1-60.7-178.1178.5178.90115.4K29 G106K29-K108 PolarHBondContact NZ-O 3.45Å; G106-K108 PolarHBondContact O-N 3.2Å
109G91.2Very high95.6Very high42 Ų4252.7 Ų52.743%0.43332%0.316SS..THydrogen-bonded Turntrans93.27-179.500000115R107 R119R107-G109 PolarHBondContact O-N 2.92Å; G109-R119 WeakPolarHBondContact O-CD 3.31Å; G109-R119 PolarHBondContact O-NE 3.35Å
110H94.6Very high95.7Very high105 Ų10550.8 Ų50.849%0.48631%0.307SS..  trans-92.5152.6170.6-58.3-65.1000111.3R107R107-H110 HydrophobicContact CB-CB 4.04Å; R107-H110 VanDerWaalsContact O-CB 3.32Å; R107-H110 WeakPolarHBondContact O-CB 3.46Å; R107-H110 PolarHBondContact O-CD2 3.22Å; R107-H110 PolarHBondContact O-N 2.95Å
111A95.9Very high95.7Very high23 Ų2354.8 Ų54.819%0.1933%0.325CS..  trans-66.7153.9171.700000110.9R107 V118R107-A111 PolarHBondContact NH1-O 3.31Å; A111-V118 VanDerWaalsContact CA-O 3.27Å; A111-V118 WeakPolarHBondContact CA-O 3.4Å; A111-V118 WeakPolarHBondContact CB-O 3.1Å
112V95.3Very high95.7Very high32 Ų3252.7 Ų52.719%0.19431%0.314CS..  trans-116141-175.3175.30000110.2F105 R107 I115F105-V112 HydrophobicContact CB-CB 4.28Å; F105-V112 HydrophobicContact CB-CG2 3.53Å; F105-V112 HydrophobicContact CD1-CB 3.42Å; F105-V112 VanDerWaalsContact CD1-CB 3.42Å; F105-V112 HydrophobicContact CD1-CG1 3.65Å; F105-V112 HydrophobicContact CD1-CG2 3.4Å; F105-V112 VanDerWaalsContact CD1-CG2 3.4Å; F105-V112 HydrophobicContact CD2-CB 4.41Å; F105-V112 HydrophobicContact CE1-CB 3.7Å; F105-V112 HydrophobicContact CE1-CG1 3.63Å; F105-V112 HydrophobicContact CE1-CG2 4.2Å; F105-V112 HydrophobicContact CG-CB 3.8Å; F105-V112 HydrophobicContact CG-CG2 3.59Å; F105-V112 HydrophobicContact CZ-CB 4.32Å; F105-V112 HydrophobicContact CZ-CG1 4.5Å; R107-V112 HydrophobicContact CB-CG2 4.05Å; R107-V112 VanDerWaalsContact CD-CG2 3.49Å; R107-V112 HydrophobicContact CG-CG2 3.63Å; V112-I115 PolarHBondContact O-N 3Å
113G95Very high95.7Very high60 Ų6054.9 Ų54.962%0.61933%0.327SS*.THydrogen-bonded Turntrans59.8-139.2174.400000112.9I115G113-I115 VanDerWaalsContact C-N 3.34Å
114D96.6Very high95.7Very high22 Ų2258.7 Ų58.712%0.11834%0.343CS..THydrogen-bonded Turntrans-88.94.5-178.563.6-6000113.6A59 K60 N63 R67 P116A59-D114 HydrophobicContact CB-CB 4.29Å; K60-D114 HydrophobicContact CB-CB 4.38Å; K60-D114 WeakPolarHBondContact CG-O 3.21Å; K60-D114 PolarHBondContact N-O 2.83Å; N63-D114 PolarHBondContact ND2-OD2 2.81Å; R67-D114 IonicContact CZ-OD1 3.37Å; R67-D114 IonicContact CZ-OD2 3.58Å; R67-D114 IonicContact NE-OD1 2.89Å; R67-D114 PolarHBondContact NE-OD1 2.8Å; R67-D114 IonicContact NE-OD2 3.01Å; R67-D114 PolarHBondContact NE-OD2 2.9Å; R67-D114 IonicContact NH2-OD1 2.85Å; R67-D114 PolarHBondContact NH2-OD1 3.38Å; R67-D114 IonicContact NH2-OD2 3.41Å; R67-D114 PolarHBondContact NH2-OD2 3.08Å; D114-P116 WeakPolarHBondContact O-CD 3.44Å
115I95.8Very high95.7Very high7 Ų757.2 Ų57.24%0.03633%0.327CS..  trans-87.9107.8-177.3-37.1-175.5000109.4V57 R67 F84 F105 V112 G113 G117 V118V57-I115 HydrophobicContact CG1-CG2 4.24Å; R67-I115 HydrophobicContact CB-CD1 4.48Å; R67-I115 HydrophobicContact CB-CG1 4.44Å; R67-I115 HydrophobicContact CB-CG2 4.16Å; R67-I115 HydrophobicContact CG-CD1 4.41Å; R67-I115 HydrophobicContact CG-CG1 4.01Å; R67-I115 HydrophobicContact CG-CG2 4.41Å; F84-I115 HydrophobicContact CB-CD1 4.28Å; F84-I115 HydrophobicContact CD1-CD1 4.16Å; F84-I115 HydrophobicContact CD2-CD1 3.56Å; F84-I115 HydrophobicContact CE1-CD1 4.38Å; F84-I115 HydrophobicContact CE2-CD1 3.85Å; F84-I115 HydrophobicContact CG-CD1 3.74Å; F84-I115 HydrophobicContact CZ-CD1 4.25Å; F105-I115 HydrophobicContact CE2-CD1 4.26Å; F105-I115 HydrophobicContact CZ-CD1 4.12Å; V112-I115 PolarHBondContact O-N 3Å; G113-I115 VanDerWaalsContact C-N 3.34Å; I115-G117 PolarHBondContact O-N 2.88Å; I115-V118 HydrophobicContact CB-CB 4.31Å; I115-V118 HydrophobicContact CG2-CB 3.62Å; I115-V118 HydrophobicContact CG2-CG1 4.4Å; I115-V118 HydrophobicContact CG2-CG2 3.54Å
116P96.7Very high95.7Very high50 Ų5056 Ų5633%0.32533%0.326SS..SBendtrans-68.9134.1-178.729.4-34.8000111.4V57 E58 K60 D114 V118V57-P116 HydrophobicContact CG1-CG 3.59Å; E58-P116 WeakPolarHBondContact O-CD 3.31Å; E58-P116 WeakPolarHBondContact O-CG 3.46Å; K60-P116 HydrophobicContact CG-CB 4.27Å; D114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-V118 PolarHBondContact O-N 3.34Å
117G95.3Very high95.7Very high60 Ų6058.2 Ų58.262%0.61932%0.321SS*.SBendtrans72-18.5172.400000116.6I115 R119I115-G117 PolarHBondContact O-N 2.88Å; G117-R119 PolarHBondContact O-N 3.11Å
118V97.2Very high95.9Very high3 Ų352.3 Ų52.32%0.01830%0.301CS..  trans-82.7117.1-176.2-176.30000111.1V57 T82 F84 A111 I115 P116 F120V57-V118 HydrophobicContact CG2-CG2 4.39Å; T82-V118 HydrophobicContact CG2-CG2 3.82Å; F84-V118 HydrophobicContact CB-CG1 3.93Å; A111-V118 VanDerWaalsContact CA-O 3.27Å; A111-V118 WeakPolarHBondContact CA-O 3.4Å; A111-V118 WeakPolarHBondContact CB-O 3.1Å; I115-V118 HydrophobicContact CB-CB 4.31Å; I115-V118 HydrophobicContact CG2-CB 3.62Å; I115-V118 HydrophobicContact CG2-CG1 4.4Å; I115-V118 HydrophobicContact CG2-CG2 3.54Å; P116-V118 PolarHBondContact O-N 3.34Å; V118-F120 WeakPolarHBondContact CG1-O 3.31Å
119R97.1Very high96.2Very high128 Ų12846.4 Ų46.448%0.48328%0.28SS..  trans-112-3.1-174.5-61.6165-175.8-173.84.6113.3F105 G109 G117F105-R119 WeakPolarHBondContact CB-O 3.37Å; F105-R119 PolarHBondContact N-O 2.94Å; G109-R119 WeakPolarHBondContact O-CD 3.31Å; G109-R119 PolarHBondContact O-NE 3.35Å; G117-R119 PolarHBondContact O-N 3.11Å
120F97.8Very high96.4Very high21 Ų2144.6 Ų44.69%0.09226%0.261CS..EExtended strand (participates in β ladder)trans-133.2158.6-169.4-56.6-72.7000110.8P40 F41 I81 A83 F84 V102 A103 F105 V118P40-F120 HydrophobicContact CB-CZ 4.19Å; P40-F120 HydrophobicContact CG-CE2 4.18Å; P40-F120 HydrophobicContact CG-CZ 3.94Å; F41-F120 AromaticContact CD1-CE1 3.92Å; F41-F120 HydrophobicContact CD1-CE1 3.92Å; F41-F120 HydrophobicContact CD1-CZ 4.37Å; F41-F120 HydrophobicContact CD2-CE1 4.23Å; F41-F120 AromaticContact CE1-CD1 3.76Å; F41-F120 HydrophobicContact CE1-CD1 3.76Å; F41-F120 AromaticContact CE1-CE1 3.61Å; F41-F120 HydrophobicContact CE1-CE1 3.61Å; F41-F120 HydrophobicContact CE1-CG 4.49Å; F41-F120 HydrophobicContact CE1-CZ 4.22Å; F41-F120 AromaticContact CE2-CD1 3.94Å; F41-F120 HydrophobicContact CE2-CD1 3.94Å; F41-F120 AromaticContact CE2-CE1 3.95Å; F41-F120 HydrophobicContact CE2-CE1 3.95Å; F41-F120 HydrophobicContact CG-CE1 4.23Å; F41-F120 AromaticContact CZ-CD1 3.44Å; F41-F120 HydrophobicContact CZ-CD1 3.44Å; F41-F120 VanDerWaalsContact CZ-CD1 3.44Å; F41-F120 AromaticContact CZ-CE1 3.63Å; F41-F120 HydrophobicContact CZ-CE1 3.63Å; F41-F120 HydrophobicContact CZ-CG 4.32Å; I81-F120 HydrophobicContact CB-CD2 4.14Å; I81-F120 HydrophobicContact CB-CE2 4.21Å; I81-F120 HydrophobicContact CD1-CD2 4Å; I81-F120 HydrophobicContact CD1-CE2 4.37Å; I81-F120 HydrophobicContact CD1-CG 4.24Å; I81-F120 HydrophobicContact CG2-CD2 4.46Å; I81-F120 HydrophobicContact CG2-CE2 4.03Å; A83-F120 WeakPolarHBondContact CA-O 3.11Å; A83-F120 HydrophobicContact CB-CB 4.14Å; F84-F120 PolarHBondContact N-O 3.42Å; V102-F120 HydrophobicContact CG1-CB 3.6Å; V102-F120 HydrophobicContact CG1-CG 4.26Å; A103-F120 CarbonylContact O-C 3.6Å; A103-F120 WeakPolarHBondContact O-CA 3.44Å; A103-F120 WeakPolarHBondContact O-CB 3.24Å; F105-F120 WeakPolarHBondContact CD2-O 3.42Å; V118-F120 WeakPolarHBondContact CG1-O 3.31Å
121K97.7Very high96.6Very high83 Ų8343.9 Ų43.936%0.36126%0.26SS..EExtended strand (participates in β ladder)trans-134.8151.6175.266.9178.1-177.2177.40111.3F84 V102 A103 F105F84-K121 CarbonylContact O-C 3.57Å; F84-K121 VanDerWaalsContact O-CA 3.31Å; F84-K121 WeakPolarHBondContact O-CA 3.43Å; V102-K121 WeakPolarHBondContact CA-O 3.44Å; V102-K121 WeakPolarHBondContact CG1-O 3.22Å; A103-K121 HydrophobicContact CB-CG 4.38Å; A103-K121 PolarHBondContact N-O 2.93Å; A103-K121 PolarHBondContact O-N 3.27Å; F105-K121 HydrophobicContact CD2-CB 4.28Å; F105-K121 HydrophobicContact CE2-CB 4.33Å
122V98.1Very high96.6Very high3 Ų343.7 Ų43.72%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-77.2140172.9-177.80000109.9V70 A83 F84 V85 I94 V100 V125 L130V70-V122 HydrophobicContact CG2-CG2 4.41Å; A83-V122 HydrophobicContact CB-CG2 4.06Å; F84-V122 PolarHBondContact O-N 3.36Å; V85-V122 HydrophobicContact CG2-CG2 4.35Å; I94-V122 HydrophobicContact CD1-CG1 4.17Å; I94-V122 HydrophobicContact CD1-CG2 4.4Å; V100-V122 HydrophobicContact CB-CG1 4.35Å; V100-V122 HydrophobicContact CG1-CG1 4.35Å; V122-V125 HydrophobicContact CG1-CG2 3.97Å; V122-L130 HydrophobicContact CB-CD1 4.41Å; V122-L130 HydrophobicContact CG1-CD1 3.92Å
123V98Very high96.7Very high45 Ų4542.5 Ų42.527%0.27325%0.251SS..EExtended strand (participates in β ladder)trans-120.4-41.8179.8-177.80000111.9L101 A103 L130L101-V123 PolarHBondContact O-N 3.07Å; A103-V123 HydrophobicContact CB-CG2 3.5Å; A103-V123 VanDerWaalsContact CB-CG2 3.5Å; V123-L130 PolarHBondContact O-N 3.07Å
124K97.8Very high96.7Very high87 Ų8745 Ų4538%0.37824%0.242SC..EExtended strand (participates in β ladder)trans-134.4153.3177.6-55.8-169.7175.7-178.70110.4V100 L101 V128V100-K124 CarbonylContact C-O 3.47Å; V100-K124 VanDerWaalsContact CA-O 3.3Å; V100-K124 WeakPolarHBondContact CA-O 3.41Å; L101-K124 HydrophobicContact CB-CB 3.74Å; L101-K124 HydrophobicContact CB-CG 4.14Å; L101-K124 HydrophobicContact CD2-CD 3.98Å; L101-K124 HydrophobicContact CD2-CG 3.98Å; L101-K124 PolarHBondContact N-O 3.27Å; L101-K124 PolarHBondContact O-N 3.45Å; K124-V128 CarbonylContact C-O 3.5Å; K124-V128 WeakPolarHBondContact CA-O 3.46Å; K124-V128 VanDerWaalsContact CB-O 3.23Å; K124-V128 WeakPolarHBondContact CB-O 3.44Å
125V96.9Very high96.8Very high1 Ų150.1 Ų50.11%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-135.4132.3176.2-172.60000106.7I94 D98 V100 V122 N127 V128 L130I94-V125 HydrophobicContact CD1-CG2 4.02Å; I94-V125 HydrophobicContact CG1-CB 4.43Å; I94-V125 HydrophobicContact CG1-CG1 4.04Å; I94-V125 HydrophobicContact CG1-CG2 3.53Å; D98-V125 HydrophobicContact CB-CG1 4.25Å; V100-V125 HydrophobicContact CG1-CB 4.48Å; V100-V125 HydrophobicContact CG1-CG1 4.25Å; V100-V125 HydrophobicContact CG1-CG2 4.21Å; V122-V125 HydrophobicContact CG1-CG2 3.97Å; V125-N127 VanDerWaalsContact C-N 3.26Å; V125-N127 PolarHBondContact O-N 3.07Å; V125-V128 PolarHBondContact N-O 3.15Å; V125-V128 PolarHBondContact O-N 3.47Å; V125-V128 VanDerWaalsContact O-O 3.09Å; V125-L130 HydrophobicContact CG2-CD1 3.92Å
126A94.4Very high96.7Very high24 Ų2452.9 Ų52.920%0.19829%0.294CS..THydrogen-bonded Turntrans47.547.5-178.900000112.8E99 V128 P141E99-A126 PolarHBondContact O-N 3.3Å; A126-V128 PolarHBondContact O-N 3.08Å; A126-P141 HydrophobicContact CB-CG 3.79Å; A126-P141 WeakPolarHBondContact O-CG 3.49Å
127N94.6Very high96.7Very high118 Ų11858.2 Ų58.263%0.63131%0.312SS*.THydrogen-bonded Turntrans600.5-174.1-72.3-44.5000117.3V125V125-N127 VanDerWaalsContact C-N 3.26Å; V125-N127 PolarHBondContact O-N 3.07Å
128V96.5Very high96.7Very high21 Ų2161.7 Ų61.713%0.12731%0.31CS..EExtended strand (participates in β ladder)trans-99.4142.6176.1-1750000110.8K124 V125 A126 L130 L133 K138 P141K124-V128 CarbonylContact C-O 3.5Å; K124-V128 WeakPolarHBondContact CA-O 3.46Å; K124-V128 VanDerWaalsContact CB-O 3.23Å; K124-V128 WeakPolarHBondContact CB-O 3.44Å; V125-V128 PolarHBondContact N-O 3.15Å; V125-V128 PolarHBondContact O-N 3.47Å; V125-V128 VanDerWaalsContact O-O 3.09Å; A126-V128 PolarHBondContact O-N 3.08Å; V128-L130 PolarHBondContact O-N 2.66Å; V128-L133 HydrophobicContact CB-CD1 4.49Å; V128-L133 HydrophobicContact CB-CD2 4.43Å; V128-L133 HydrophobicContact CB-CG 4.44Å; V128-L133 HydrophobicContact CG1-CD1 4.37Å; V128-L133 HydrophobicContact CG1-CD2 3.79Å; V128-L133 HydrophobicContact CG1-CG 3.82Å; V128-K138 HydrophobicContact CG1-CB 3.76Å; V128-K138 HydrophobicContact CG1-CD 3.95Å; V128-K138 HydrophobicContact CG1-CG 4.48Å; V128-P141 HydrophobicContact CG2-CG 4.26Å
129S97.3Very high96.5Very high40 Ų4069.3 Ų69.328%0.2835%0.345SS..EExtended strand (participates in β ladder)trans-67.9131.5176.2179.70000111.3L131 A132 L133S129-L131 PolarHBondContact O-N 3.08Å; S129-L131 PolarHBondContact OG-N 3.21Å; S129-A132 WeakPolarHBondContact O-CA 3.42Å; S129-A132 WeakPolarHBondContact O-CB 3.49Å; S129-A132 PolarHBondContact O-N 3.11Å; S129-L133 PolarHBondContact O-N 2.95Å
130L96.7Very high96.1Very high4 Ų467.3 Ų67.32%0.02134%0.338CS..Hα-helixtrans-62.8-31.1177.1-171.9141.2000111.9V85 P86 C90 I94 V122 V123 V125 V128 A132 Y134V85-L130 HydrophobicContact CG1-CD1 3.95Å; P86-L130 HydrophobicContact CG-CD2 3.92Å; C90-L130 HydrophobicContact CB-CD1 4.33Å; C90-L130 HydrophobicContact CB-CD2 3.88Å; C90-L130 HydrophobicContact CB-CG 4.31Å; C90-L130 VanDerWaalsContact SG-CD2 3.53Å; I94-L130 HydrophobicContact CD1-CD1 4.15Å; V122-L130 HydrophobicContact CB-CD1 4.41Å; V122-L130 HydrophobicContact CG1-CD1 3.92Å; V123-L130 PolarHBondContact O-N 3.07Å; V125-L130 HydrophobicContact CG2-CD1 3.92Å; V128-L130 PolarHBondContact O-N 2.66Å; L130-A132 VanDerWaalsContact C-N 3.34Å; L130-Y134 VanDerWaalsContact O-CB 3.26Å; L130-Y134 WeakPolarHBondContact O-CB 3.38Å; L130-Y134 PolarHBondContact O-N 3.4Å
131L97.2Very high95.8Very high90 Ų9069.3 Ų69.347%0.47135%0.352SS..Hα-helixtrans-67.9-34.1172.9-174.365.2000112.4S129 K135S129-L131 PolarHBondContact O-N 3.08Å; S129-L131 PolarHBondContact OG-N 3.21Å; L131-K135 HydrophobicContact CD1-CD 4.47Å; L131-K135 WeakPolarHBondContact O-CB 3.48Å; L131-K135 WeakPolarHBondContact O-CG 3.26Å; L131-K135 PolarHBondContact O-N 3.45Å; L131-K135 VanDerWaalsContact O-N 3.12Å
132A97.3Very high95.1Very high18 Ų1876.6 Ų76.615%0.14938%0.378CS..Hα-helixtrans-72.6-40177.400000111.4S129 L130 K135 G136 K137 K138S129-A132 WeakPolarHBondContact O-CA 3.42Å; S129-A132 WeakPolarHBondContact O-CB 3.49Å; S129-A132 PolarHBondContact O-N 3.11Å; L130-A132 VanDerWaalsContact C-N 3.34Å; A132-K135 PolarHBondContact O-N 2.99Å; A132-G136 PolarHBondContact O-N 3.45Å; A132-K137 HydrophobicContact CB-CB 4.46Å; A132-K137 PolarHBondContact O-N 3.44Å; A132-K138 HydrophobicContact CB-CB 4.13Å; A132-K138 HydrophobicContact CB-CD 4.38Å; A132-K138 HydrophobicContact CB-CG 4.17Å; A132-K138 PolarHBondContact O-N 3.32Å
133L96.1Very high93.8Very high8 Ų885 Ų854%0.04244%0.437CS..Hα-helixtrans-61.5-49.2171.9-65173000110.9F93 V128 S129 K135 G136 K138 R140F93-L133 HydrophobicContact CB-CD1 4.04Å; F93-L133 HydrophobicContact CD1-CB 4.18Å; F93-L133 HydrophobicContact CD2-CB 4.04Å; F93-L133 HydrophobicContact CE1-CB 4.24Å; F93-L133 HydrophobicContact CE2-CB 4.13Å; F93-L133 HydrophobicContact CG-CB 4.09Å; F93-L133 HydrophobicContact CG-CD1 4.2Å; F93-L133 HydrophobicContact CZ-CB 4.22Å; V128-L133 HydrophobicContact CB-CD1 4.49Å; V128-L133 HydrophobicContact CB-CD2 4.43Å; V128-L133 HydrophobicContact CB-CG 4.44Å; V128-L133 HydrophobicContact CG1-CD1 4.37Å; V128-L133 HydrophobicContact CG1-CD2 3.79Å; V128-L133 HydrophobicContact CG1-CG 3.82Å; S129-L133 PolarHBondContact O-N 2.95Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.36Å; L133-G136 PolarHBondContact O-N 2.98Å; L133-K138 WeakPolarHBondContact CD2-O 3.43Å; L133-R140 HydrophobicContact CD2-CB 4.29Å
134Y96.4Very high93.6Very high113 Ų11387 Ų8744%0.44345%0.445SS..Hα-helixtrans-57.8-38.7178.8177-108.3000113.3N87 D88 C90 L130 G136N87-Y134 HydrophobicContact CB-CD1 4.49Å; N87-Y134 HydrophobicContact CB-CD2 4.03Å; N87-Y134 HydrophobicContact CB-CE1 4.4Å; N87-Y134 HydrophobicContact CB-CE2 3.94Å; N87-Y134 HydrophobicContact CB-CG 4.32Å; D88-Y134 WeakPolarHBondContact O-CE2 3.36Å; C90-Y134 VanDerWaalsContact SG-CD2 3.59Å; L130-Y134 VanDerWaalsContact O-CB 3.26Å; L130-Y134 WeakPolarHBondContact O-CB 3.38Å; L130-Y134 PolarHBondContact O-N 3.4Å; Y134-G136 VanDerWaalsContact C-N 3.31Å
135K97Very high93.3Very high129 Ų12987 Ų8756%0.56145%0.448SS*.THydrogen-bonded Turntrans-85.93.5178.1-68.1-172.6175.9-170.50113.9L131 A132 L133 K137L131-K135 HydrophobicContact CD1-CD 4.47Å; L131-K135 WeakPolarHBondContact O-CB 3.48Å; L131-K135 WeakPolarHBondContact O-CG 3.26Å; L131-K135 PolarHBondContact O-N 3.45Å; L131-K135 VanDerWaalsContact O-N 3.12Å; A132-K135 PolarHBondContact O-N 2.99Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.36Å; K135-K137 HydrophobicContact CB-CG 4.05Å; K135-K137 PolarHBondContact O-N 2.96Å
136G94.5Very high93.1Very high65 Ų6591.8 Ų91.867%0.6747%0.473SS*.THydrogen-bonded Turntrans63.518.5-176.200000114.6A132 L133 Y134A132-G136 PolarHBondContact O-N 3.45Å; L133-G136 PolarHBondContact O-N 2.98Å; Y134-G136 VanDerWaalsContact C-N 3.31Å
137K96.3Very high93.1Very high162 Ų16295.8 Ų95.870%0.70449%0.489SS*.SBendtrans-80.3-21.6-179.7-67.2-167.6175-162.60113.1A132 K135A132-K137 HydrophobicContact CB-CB 4.46Å; A132-K137 PolarHBondContact O-N 3.44Å; K135-K137 HydrophobicContact CB-CG 4.05Å; K135-K137 PolarHBondContact O-N 2.96Å
138K95.3Very high93Very high133 Ų13394.4 Ų94.458%0.57848%0.48SS*.SBendtrans-140.9150.7175.7-71.3-166171.1-163.60107.9V128 A132 L133V128-K138 HydrophobicContact CG1-CB 3.76Å; V128-K138 HydrophobicContact CG1-CD 3.95Å; V128-K138 HydrophobicContact CG1-CG 4.48Å; A132-K138 HydrophobicContact CB-CB 4.13Å; A132-K138 HydrophobicContact CB-CD 4.38Å; A132-K138 HydrophobicContact CB-CG 4.17Å; A132-K138 PolarHBondContact O-N 3.32Å; L133-K138 WeakPolarHBondContact CD2-O 3.43Å
139E92.8Very high92.7Very high163 Ų16399.3 Ų99.376%0.76250%0.504SS*.PPolyproline II helixtrans-96.7160.4171.4-63.6-175.5173.300110.4
140R90.3Very high92.4Very high86 Ų86103.5 Ų103.533%0.32552%0.52SS..PPolyproline II helixtrans-69.5131.2173.1-174.1177.2176.2-149.1-1.8108.1E95 D98 L133 R142E95-R140 VanDerWaalsContact CG-NH1 3.3Å; D98-R140 VanDerWaalsContact CG-NH2 3.26Å; D98-R140 IonicContact OD1-NH2 3.72Å; D98-R140 PolarHBondContact OD1-NH2 2.95Å; D98-R140 IonicContact OD2-CZ 2.68Å; D98-R140 IonicContact OD2-NE 3.41Å; D98-R140 IonicContact OD2-NH2 3.33Å; D98-R140 PolarHBondContact OD2-NH2 2.94Å; L133-R140 HydrophobicContact CD2-CB 4.29Å; R140-R142 PolarHBondContact O-N 3.45Å
141P89.6Confident92.1Very high62 Ų62111.2 Ų111.240%0.40356%0.558SS.*PPolyproline II helixtrans-62.4138.9176.426.4-32.7000109.1A126 V128A126-P141 HydrophobicContact CB-CG 3.79Å; A126-P141 WeakPolarHBondContact O-CG 3.49Å; V128-P141 HydrophobicContact CG2-CG 4.26Å
142R83.5Confident91.7Very high236 Ų236112.9 Ų112.989%0.89157%0.565SS**PPolyproline II helixtrans-77.2125.9170.7-58.2-176.5-156173.96.3107.5R140R140-R142 PolarHBondContact O-N 3.45Å
143S70.7Confident91.1Very high180 Ų180121.5 Ų121.5100%1.25960%0.603SS**  trans-72.10167.5-47.70000110.3

Retrieved 143 of 143 residues in 39.3 ms (Link to these results)