A0A087XNX8_POEFO Loading...

Actin-related protein 2/3 complex subunit

Component of the Arp2/3 complex, a multiprotein complex that mediates actin polymerization upon stimulation by nucleation-promoting factor (NPF). The Arp2/3 complex mediates the formation of branched actin networks in the cytoplasm, providing the force for cell motility. In addition to its role in the cytoplasmic cytoskeleton, the Arp2/3 complex also promotes actin polymerization in the nucleus, thereby regulating gene transcription and repair of damaged DNA. The Arp2/3 complex promotes homologous recombination (HR) repair in response to DNA damage by promoting nuclear actin polymerization, leading to drive motility of double-strand breaks (DSBs). Functions as component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB , UniProt , Accession A0A087XNX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 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
1M78.5Confident91.2Very high95 Ų9563 Ų6347%0.46834%0.336SS..  0132.50-58.7178.7-74.900108.4I364 W365 L370M1-I364 CarbonylContact C-O 3.53Å; M1-I364 VanDerWaalsContact CA-O 3.28Å; M1-I364 WeakPolarHBondContact CA-O 3.48Å; M1-W365 HydrophobicContact CG-CE3 3.74Å; M1-W365 HydrophobicContact CG-CZ3 3.96Å; M1-W365 HydrophobicContact SD-CE3 3.69Å; M1-W365 HydrophobicContact SD-CH2 4.26Å; M1-W365 HydrophobicContact SD-CZ3 3.31Å; M1-W365 WeakPolarHBondContact SD-CZ3 3.43Å; M1-L370 HydrophobicContact CG-CD2 4.38Å; M1-L370 HydrophobicContact SD-CD2 4.25Å
2A86.9Confident91.7Very high57 Ų5759.8 Ų59.847%0.47132%0.322SS..EExtended strand (participates in β ladder)trans-132.1139.2174.300000109G363 I364A2-G363 CarbonylContact O-C 3.51Å; A2-G363 WeakPolarHBondContact O-CA 3.33Å; A2-I364 PolarHBondContact N-O 2.92Å; A2-I364 PolarHBondContact O-N 2.83Å
3Y92.1Very high92.2Very high81 Ų8155.7 Ų55.732%0.31830%0.301SS..EExtended strand (participates in β ladder)trans-124142179.2-178.3-98.1000110.4L332 H333 D359 G361 M362Y3-L332 HydrophobicContact CD2-CD1 4.49Å; Y3-L332 HydrophobicContact CD2-CD2 4.21Å; Y3-L332 HydrophobicContact CD2-CG 3.82Å; Y3-L332 HydrophobicContact CG-CD1 4.23Å; Y3-L332 HydrophobicContact CG-CG 4.06Å; Y3-H333 AromaticContact CE2-ND1 3.9Å; Y3-D359 PolarHBondContact OH-OD2 3.24Å; Y3-D359 VanDerWaalsContact OH-OD2 3.1Å; Y3-G361 WeakPolarHBondContact OH-CA 3.06Å; Y3-M362 WeakPolarHBondContact CA-O 3.31Å
4H94.1Very high92.6Very high57 Ų5751.7 Ų51.726%0.26428%0.279SS..EExtended strand (participates in β ladder)trans-136.7124.7172-172.169.9000109.1F6 W42 M362H4-F6 AromaticContact CD2-CD1 3.65Å; H4-F6 AromaticContact CD2-CD2 3.84Å; H4-F6 AromaticContact CD2-CE1 3.61Å; H4-F6 AromaticContact CD2-CE2 3.81Å; H4-F6 AromaticContact CD2-CG 3.77Å; H4-F6 AromaticContact CD2-CZ 3.69Å; H4-F6 AromaticContact NE2-CD1 3.8Å; H4-F6 AromaticContact NE2-CE1 3.9Å; H4-W42 AromaticContact CD2-CD1 3.36Å; H4-W42 AromaticContact CD2-CG 3.87Å; H4-W42 AromaticContact CE1-CD1 3.67Å; H4-W42 AromaticContact CG-CD1 3.46Å; H4-W42 VanDerWaalsContact CG-CD1 3.46Å; H4-W42 AromaticContact CG-NE1 3.93Å; H4-W42 AromaticContact ND1-CD1 3.65Å; H4-W42 AromaticContact NE2-CD1 3.47Å; H4-W42 AromaticContact NE2-CG 3.77Å; H4-M362 HydrophobicContact CB-CE 4.11Å; H4-M362 PolarHBondContact N-O 3.32Å; H4-M362 PolarHBondContact O-N 2.97Å
5S94.3Very high93Very high57 Ų5748.6 Ų48.640%0.39926%0.263SS..EExtended strand (participates in β ladder)trans-89.1117.7168.4166.70000107.7L7S5-L7 PolarHBondContact OG-O 3.35Å
6F91.6Very high93.4Very high26 Ų2646.5 Ų46.511%0.11425%0.25CS..  trans-83.3-34.4174.6-74.8-81.1000111.3H4 I11 I23 L25 Y35 W42 G360 M362H4-F6 AromaticContact CD2-CD1 3.65Å; H4-F6 AromaticContact CD2-CD2 3.84Å; H4-F6 AromaticContact CD2-CE1 3.61Å; H4-F6 AromaticContact CD2-CE2 3.81Å; H4-F6 AromaticContact CD2-CG 3.77Å; H4-F6 AromaticContact CD2-CZ 3.69Å; H4-F6 AromaticContact NE2-CD1 3.8Å; H4-F6 AromaticContact NE2-CE1 3.9Å; F6-I11 HydrophobicContact CD2-CD1 4.04Å; F6-I23 HydrophobicContact CZ-CG2 3.9Å; F6-L25 HydrophobicContact CB-CD2 4.35Å; F6-L25 HydrophobicContact CD1-CD2 4.07Å; F6-L25 HydrophobicContact CD2-CD2 3.66Å; F6-L25 HydrophobicContact CE1-CD2 4.24Å; F6-L25 HydrophobicContact CE2-CD2 3.83Å; F6-L25 HydrophobicContact CG-CD2 3.78Å; F6-L25 HydrophobicContact CZ-CD2 4.13Å; F6-Y35 AromaticContact CD1-CD1 3.82Å; F6-Y35 HydrophobicContact CD1-CD1 3.82Å; F6-Y35 HydrophobicContact CD1-CD2 4.03Å; F6-Y35 AromaticContact CD1-CE1 3.82Å; F6-Y35 HydrophobicContact CD1-CE1 3.82Å; F6-Y35 HydrophobicContact CD1-CE2 4.04Å; F6-Y35 AromaticContact CD1-CG 3.93Å; F6-Y35 HydrophobicContact CD1-CG 3.93Å; F6-Y35 AromaticContact CD1-CZ 3.94Å; F6-Y35 AromaticContact CE1-CD1 3.68Å; F6-Y35 HydrophobicContact CE1-CD1 3.68Å; F6-Y35 AromaticContact CE1-CD2 3.97Å; F6-Y35 HydrophobicContact CE1-CD2 3.97Å; F6-Y35 HydrophobicContact CE1-CE1 4.17Å; F6-Y35 HydrophobicContact CE1-CE2 4.44Å; F6-Y35 AromaticContact CE1-CG 3.56Å; F6-Y35 HydrophobicContact CE1-CG 3.56Å; F6-W42 HydrophobicContact CE1-CB 3.81Å; F6-W42 HydrophobicContact CE1-CD2 4.04Å; F6-W42 HydrophobicContact CE1-CE3 4.31Å; F6-W42 AromaticContact CE1-CG 3.84Å; F6-W42 HydrophobicContact CE1-CG 3.84Å; F6-W42 HydrophobicContact CZ-CB 4.49Å; F6-W42 AromaticContact CZ-CD2 3.9Å; F6-W42 HydrophobicContact CZ-CD2 3.9Å; F6-W42 HydrophobicContact CZ-CE3 4.21Å; F6-W42 HydrophobicContact CZ-CG 4.03Å; F6-G360 PolarHBondContact N-O 3.29Å; F6-M362 HydrophobicContact CD2-CB 4.09Å; F6-M362 HydrophobicContact CE2-CB 3.66Å; F6-M362 HydrophobicContact CE2-CE 4.21Å; F6-M362 HydrophobicContact CE2-CG 4.32Å; F6-M362 HydrophobicContact CE2-SD 3.92Å; F6-M362 HydrophobicContact CZ-CE 4.49Å; F6-M362 HydrophobicContact CZ-SD 4.34Å
7L90.4Very high93.7Very high25 Ų2544.5 Ų44.513%0.13124%0.239CC..  trans-156.5178.7-177.153132.3000110.4S5 E9 I11 L25 P27 G360S5-L7 PolarHBondContact OG-O 3.35Å; L7-E9 VanDerWaalsContact CD1-C 3.46Å; L7-E9 HydrophobicContact CD1-CB 3.61Å; L7-E9 WeakPolarHBondContact CD1-O 3.3Å; L7-I11 HydrophobicContact CD2-CG1 4.39Å; L7-L25 HydrophobicContact CD2-CD1 4.11Å; L7-P27 HydrophobicContact CD1-CB 3.74Å; L7-P27 HydrophobicContact CD2-CB 3.54Å; L7-P27 HydrophobicContact CG-CB 4.32Å; L7-G360 WeakPolarHBondContact O-CA 3.34Å
8L88.8Confident93.8Very high153 Ų15349.2 Ų49.280%0.80126%0.257SS*.SBendtrans-94.2-26.9177-65.3176.9000112.2
9E92.1Very high93.9Very high107 Ų10751.8 Ų51.850%0.527%0.272SS..SBendtrans-79165.7176.8-53.283.6171.400112.4L7 N28 G360L7-E9 VanDerWaalsContact CD1-C 3.46Å; L7-E9 HydrophobicContact CD1-CB 3.61Å; L7-E9 WeakPolarHBondContact CD1-O 3.3Å; E9-N28 HydrophobicContact CB-CB 4.2Å; E9-G360 WeakPolarHBondContact O-CA 3.44Å; E9-G360 PolarHBondContact O-N 2.94Å; E9-G360 VanDerWaalsContact O-N 3.07Å
10P95.9Very high94Very high35 Ų3553.7 Ų53.723%0.22728%0.275CS..  trans-58.2140.5178.8-29.636.9000115S12 P27 N28 M358P10-S12 PolarHBondContact O-N 3.15Å; P10-P27 CarbonylContact O-C 3.51Å; P10-N28 HydrophobicContact CB-CB 4.25Å; P10-N28 WeakPolarHBondContact O-CB 3.44Å; P10-N28 PolarHBondContact O-N 3.22Å; P10-N28 VanDerWaalsContact O-N 3.13Å; P10-M358 HydrophobicContact CB-CB 4.3Å; P10-M358 HydrophobicContact CG-CB 4.25Å
11I98Very high94.1Very high0 Ų053.5 Ų53.50%028%0.277CS..  trans-81.1109.4156.4-67167.5000107.2F6 L7 H14 L25 S338 T356 G357F6-I11 HydrophobicContact CD2-CD1 4.04Å; L7-I11 HydrophobicContact CD2-CG1 4.39Å; I11-H14 HydrophobicContact CG2-CB 4.45Å; I11-L25 HydrophobicContact CD1-CD2 4.19Å; I11-L25 HydrophobicContact CG1-CD1 4.49Å; I11-L25 HydrophobicContact CG2-CB 4.04Å; I11-S338 PolarHBondContact O-OG 3.25Å; I11-T356 HydrophobicContact CD1-CG2 4.2Å; I11-T356 HydrophobicContact CG2-CG2 4.16Å; I11-G357 PolarHBondContact N-O 2.95Å
12S97.1Very high95Very high25 Ų2550.9 Ų50.918%0.17526%0.263CS..  trans-71.4-36.6-175.9-63.70000112.5P10 C26 N28 Q54P10-S12 PolarHBondContact O-N 3.15Å; S12-C26 PolarHBondContact N-O 3.31Å; S12-N28 WeakPolarHBondContact OG-CA 3.38Å; S12-Q54 PolarHBondContact OG-NE2 3.14Å
13C98.3Very high95.5Very high6 Ų648.1 Ų48.14%0.04124%0.241CC..  trans-165.4159.7175.849.60000110.1L25 C26C13-L25 WeakPolarHBondContact O-CA 3.33Å; C13-C26 PolarHBondContact O-N 3.47Å
14H98.7Very high95.8Very high0 Ų044.3 Ų44.30%023%0.226CC..EExtended strand (participates in β ladder)trans-144.1161.8175.377.4-76.8000113.3I11 W16 I23 A24 L25 Q339 S341 T356I11-H14 HydrophobicContact CG2-CB 4.45Å; H14-W16 AromaticContact CD2-CD1 3.62Å; H14-W16 AromaticContact CD2-NE1 3.48Å; H14-W16 PolarHBondContact CD2-NE1 3.47Å; H14-W16 AromaticContact NE2-CD1 3.93Å; H14-W16 AromaticContact NE2-NE1 3.72Å; H14-I23 HydrophobicContact CB-CD1 4.14Å; H14-I23 HydrophobicContact CB-CG1 4.27Å; H14-A24 CarbonylContact C-O 3.59Å; H14-A24 WeakPolarHBondContact CA-O 3.41Å; H14-A24 WeakPolarHBondContact CB-O 3.36Å; H14-L25 HydrophobicContact CB-CB 4.19Å; H14-Q339 PolarHBondContact ND1-OE1 3.48Å; H14-Q339 VanDerWaalsContact ND1-OE1 3.14Å; H14-Q339 PolarHBondContact O-NE2 2.89Å; H14-S341 WeakPolarHBondContact NE2-CB 3.3Å; H14-S341 PolarHBondContact NE2-OG 3.29Å; H14-T356 HydrophobicContact CB-CG2 4.26Å; H14-T356 PolarHBondContact ND1-OG1 3.36Å
15A98.8Very high96.1Very high5 Ų541.6 Ų41.64%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-147.4152.9168.900000111I23 A24 I58 W60A15-I23 WeakPolarHBondContact O-CA 3.13Å; A15-A24 PolarHBondContact N-O 3.29Å; A15-A24 PolarHBondContact O-N 3.3Å; A15-I58 HydrophobicContact CB-CB 4.39Å; A15-I58 HydrophobicContact CB-CG2 3.76Å; A15-W60 HydrophobicContact CB-CB 3.87Å
16W98.6Very high96.3Very high15 Ų1538.9 Ų38.96%0.05719%0.194CC..EExtended strand (participates in β ladder)trans-112.6141.1178.3-71.287.2000110.4H14 R20 I23 W42 L343 M362H14-W16 AromaticContact CD2-CD1 3.62Å; H14-W16 AromaticContact CD2-NE1 3.48Å; H14-W16 PolarHBondContact CD2-NE1 3.47Å; H14-W16 AromaticContact NE2-CD1 3.93Å; H14-W16 AromaticContact NE2-NE1 3.72Å; W16-R20 HydrophobicContact CE3-CB 4.06Å; W16-R20 HydrophobicContact CZ3-CB 4.44Å; W16-R20 VanDerWaalsContact CZ3-O 3.26Å; W16-R20 WeakPolarHBondContact CZ3-O 3.5Å; W16-R20 PolarHBondContact O-NH1 2.86Å; W16-I23 HydrophobicContact CD2-CB 4.03Å; W16-I23 HydrophobicContact CD2-CG1 4.22Å; W16-I23 HydrophobicContact CE3-CB 3.99Å; W16-I23 HydrophobicContact CH2-CB 4.16Å; W16-I23 HydrophobicContact CH2-CD1 4.48Å; W16-I23 HydrophobicContact CZ2-CB 4.16Å; W16-I23 HydrophobicContact CZ2-CD1 3.77Å; W16-I23 HydrophobicContact CZ2-CG1 4.26Å; W16-I23 HydrophobicContact CZ3-CB 4.06Å; W16-W42 AromaticContact CH2-CH2 3.46Å; W16-W42 HydrophobicContact CH2-CH2 3.46Å; W16-W42 VanDerWaalsContact CH2-CH2 3.46Å; W16-W42 AromaticContact CH2-CZ2 3.95Å; W16-W42 HydrophobicContact CH2-CZ2 3.95Å; W16-W42 HydrophobicContact CH2-CZ3 4.49Å; W16-W42 AromaticContact CZ3-CH2 3.64Å; W16-W42 HydrophobicContact CZ3-CH2 3.64Å; W16-W42 HydrophobicContact CZ3-CZ3 4.44Å; W16-L343 HydrophobicContact CD2-CD2 3.69Å; W16-L343 VanDerWaalsContact CE2-CD2 3.44Å; W16-L343 HydrophobicContact CE3-CD2 4.33Å; W16-L343 HydrophobicContact CG-CD2 3.91Å; W16-L343 HydrophobicContact CH2-CD2 4.43Å; W16-L343 HydrophobicContact CZ2-CD2 3.84Å; W16-M362 HydrophobicContact CH2-SD 4.04Å; W16-M362 HydrophobicContact CZ2-SD 3.59Å; W16-M362 VanDerWaalsContact CZ2-SD 3.59Å
17N98.1Very high96.5Very high12 Ų1238.4 Ų38.46%0.06419%0.194CC..  trans-67.8171.8168.576.2-27.8000111.3D19 R20 T21 Q22 W60N17-D19 PolarHBondContact ND2-OD1 2.75Å; N17-D19 PolarHBondContact O-N 3.23Å; N17-D19 PolarHBondContact OD1-OD1 3.23Å; N17-D19 VanDerWaalsContact OD1-OD1 3.06Å; N17-R20 WeakPolarHBondContact O-CD 3.39Å; N17-R20 PolarHBondContact O-N 2.84Å; N17-R20 PolarHBondContact O-NH1 2.64Å; N17-R20 WeakPolarHBondContact OD1-CA 3.49Å; N17-R20 PolarHBondContact OD1-N 3.33Å; N17-T21 PolarHBondContact ND2-OG1 3.06Å; N17-T21 PolarHBondContact OD1-N 3.28Å; N17-T21 VanDerWaalsContact OD1-N 3.08Å; N17-Q22 HydrophobicContact CB-CB 4.41Å; N17-Q22 PolarHBondContact N-O 3.07Å; N17-Q22 PolarHBondContact OD1-N 3.08Å; N17-Q22 PolarHBondContact OD1-O 2.74Å; N17-W60 HydrophobicContact CB-CD2 3.83Å; N17-W60 HydrophobicContact CB-CE3 4.05Å; N17-W60 HydrophobicContact CB-CG 4.48Å; N17-W60 HydrophobicContact CB-CH2 3.89Å; N17-W60 HydrophobicContact CB-CZ2 3.64Å; N17-W60 HydrophobicContact CB-CZ3 4.08Å
18K96.8Very high96.8Very high129 Ų12940.6 Ų40.656%0.56121%0.205SC*.THydrogen-bonded Turntrans-53.9-47.5-172.8-178.2169.2177.9166.70114.7R20 P62 D63K18-R20 VanDerWaalsContact C-N 3.31Å; K18-P62 HydrophobicContact CB-CB 3.73Å; K18-P62 WeakPolarHBondContact CB-O 3.32Å; K18-P62 HydrophobicContact CD-CB 4.22Å; K18-P62 WeakPolarHBondContact CD-O 3.5Å; K18-P62 HydrophobicContact CG-CB 3.96Å; K18-D63 WeakPolarHBondContact CE-OD1 3.47Å; K18-D63 IonicContact NZ-OD1 2.91Å; K18-D63 PolarHBondContact NZ-OD1 2.96Å
19D95.3Very high97.1Very high100 Ų10035.5 Ų35.554%0.53518%0.179SC..THydrogen-bonded Turntrans-87.92.7-175.467.23.5000113.7N17 T21N17-D19 PolarHBondContact ND2-OD1 2.75Å; N17-D19 PolarHBondContact O-N 3.23Å; N17-D19 PolarHBondContact OD1-OD1 3.23Å; N17-D19 VanDerWaalsContact OD1-OD1 3.06Å; D19-T21 HydrophobicContact CB-CG2 4.27Å; D19-T21 VanDerWaalsContact CG-CG2 3.41Å; D19-T21 VanDerWaalsContact CG-OG1 3.25Å; D19-T21 PolarHBondContact O-N 2.71Å; D19-T21 WeakPolarHBondContact OD1-CB 3.36Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.25Å; D19-T21 PolarHBondContact OD1-N 2.67Å; D19-T21 PolarHBondContact OD1-OG1 2.87Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.3Å; D19-T21 PolarHBondContact OD2-OG1 2.95Å
20R95.8Very high97.4Very high88 Ų8834.5 Ų34.533%0.33217%0.174SC..SBendtrans58.425.3-178.7-44.4-57.2177.8-150.66.2113.7W16 N17 K18 L343W16-R20 HydrophobicContact CE3-CB 4.06Å; W16-R20 HydrophobicContact CZ3-CB 4.44Å; W16-R20 VanDerWaalsContact CZ3-O 3.26Å; W16-R20 WeakPolarHBondContact CZ3-O 3.5Å; W16-R20 PolarHBondContact O-NH1 2.86Å; N17-R20 WeakPolarHBondContact O-CD 3.39Å; N17-R20 PolarHBondContact O-N 2.84Å; N17-R20 PolarHBondContact O-NH1 2.64Å; N17-R20 WeakPolarHBondContact OD1-CA 3.49Å; N17-R20 PolarHBondContact OD1-N 3.33Å; K18-R20 VanDerWaalsContact C-N 3.31Å; R20-L343 HydrophobicContact CG-CD2 4.5Å; R20-L343 WeakPolarHBondContact CG-O 3.21Å; R20-L343 PolarHBondContact NE-O 3.21Å; R20-L343 VanDerWaalsContact NE-O 3.14Å
21T95.4Very high97.5Very high51 Ų5133.9 Ų33.931%0.31317%0.168SC..SBendtrans-85.8-20.3174.662.80000112.8N17 D19 K37N17-T21 PolarHBondContact ND2-OG1 3.06Å; N17-T21 PolarHBondContact OD1-N 3.28Å; N17-T21 VanDerWaalsContact OD1-N 3.08Å; D19-T21 HydrophobicContact CB-CG2 4.27Å; D19-T21 VanDerWaalsContact CG-CG2 3.41Å; D19-T21 VanDerWaalsContact CG-OG1 3.25Å; D19-T21 PolarHBondContact O-N 2.71Å; D19-T21 WeakPolarHBondContact OD1-CB 3.36Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.25Å; D19-T21 PolarHBondContact OD1-N 2.67Å; D19-T21 PolarHBondContact OD1-OG1 2.87Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.3Å; D19-T21 PolarHBondContact OD2-OG1 2.95Å; T21-K37 PolarHBondContact O-N 2.98Å
22Q97.8Very high97.6Very high39 Ų3933.9 Ų33.918%0.18217%0.168CC..EExtended strand (participates in β ladder)trans-129.2139.9-179.4-57.7178.827.700111.7N17 I34 Y35 K36 I45 W60N17-Q22 HydrophobicContact CB-CB 4.41Å; N17-Q22 PolarHBondContact N-O 3.07Å; N17-Q22 PolarHBondContact OD1-N 3.08Å; N17-Q22 PolarHBondContact OD1-O 2.74Å; Q22-I34 HydrophobicContact CB-CG2 4.14Å; Q22-Y35 VanDerWaalsContact CA-O 3.25Å; Q22-Y35 WeakPolarHBondContact CA-O 2.95Å; Q22-K36 HydrophobicContact CG-CB 4.29Å; Q22-K36 HydrophobicContact CG-CG 4.34Å; Q22-I45 HydrophobicContact CG-CD1 4.29Å; Q22-W60 HydrophobicContact CB-CH2 3.88Å; Q22-W60 HydrophobicContact CB-CZ3 4.15Å
23I98.4Very high97.6Very high0 Ų033.6 Ų33.60%016%0.164CC..EExtended strand (participates in β ladder)trans-119.3126.9172.4-173.5177.2000109.1F6 H14 A15 W16 I34 Y35 W42 M362F6-I23 HydrophobicContact CZ-CG2 3.9Å; H14-I23 HydrophobicContact CB-CD1 4.14Å; H14-I23 HydrophobicContact CB-CG1 4.27Å; A15-I23 WeakPolarHBondContact O-CA 3.13Å; W16-I23 HydrophobicContact CD2-CB 4.03Å; W16-I23 HydrophobicContact CD2-CG1 4.22Å; W16-I23 HydrophobicContact CE3-CB 3.99Å; W16-I23 HydrophobicContact CH2-CB 4.16Å; W16-I23 HydrophobicContact CH2-CD1 4.48Å; W16-I23 HydrophobicContact CZ2-CB 4.16Å; W16-I23 HydrophobicContact CZ2-CD1 3.77Å; W16-I23 HydrophobicContact CZ2-CG1 4.26Å; W16-I23 HydrophobicContact CZ3-CB 4.06Å; I23-I34 CarbonylContact O-C 3.47Å; I23-I34 WeakPolarHBondContact O-CA 3.23Å; I23-Y35 PolarHBondContact N-O 3.19Å; I23-Y35 PolarHBondContact O-N 2.74Å; I23-W42 HydrophobicContact CG2-CE3 4.17Å; I23-W42 HydrophobicContact CG2-CH2 4.1Å; I23-W42 HydrophobicContact CG2-CZ3 3.65Å; I23-M362 HydrophobicContact CD1-CG 4.5Å; I23-M362 HydrophobicContact CD1-SD 3.86Å
24A98.8Very high97.6Very high0 Ų033.3 Ų33.30%016%0.162CC..EExtended strand (participates in β ladder)trans-94.6131.2166.800000108.5H14 A15 V32 H33 I34 I58 W60 I67H14-A24 CarbonylContact C-O 3.59Å; H14-A24 WeakPolarHBondContact CA-O 3.41Å; H14-A24 WeakPolarHBondContact CB-O 3.36Å; A15-A24 PolarHBondContact N-O 3.29Å; A15-A24 PolarHBondContact O-N 3.3Å; A24-V32 HydrophobicContact CB-CG1 3.93Å; A24-H33 WeakPolarHBondContact CA-O 3.34Å; A24-I34 HydrophobicContact CB-CG1 4.09Å; A24-I58 HydrophobicContact CB-CG2 4.2Å; A24-W60 HydrophobicContact CB-CE3 3.87Å; A24-W60 HydrophobicContact CB-CZ3 3.79Å; A24-I67 HydrophobicContact CB-CD1 4.43Å
25L98.4Very high97.6Very high0 Ų034.9 Ų34.90%017%0.169CC..EExtended strand (participates in β ladder)trans-141.9151.5178.76383.7000111.9F6 L7 I11 C13 H14 P27 H33 Y35F6-L25 HydrophobicContact CB-CD2 4.35Å; F6-L25 HydrophobicContact CD1-CD2 4.07Å; F6-L25 HydrophobicContact CD2-CD2 3.66Å; F6-L25 HydrophobicContact CE1-CD2 4.24Å; F6-L25 HydrophobicContact CE2-CD2 3.83Å; F6-L25 HydrophobicContact CG-CD2 3.78Å; F6-L25 HydrophobicContact CZ-CD2 4.13Å; L7-L25 HydrophobicContact CD2-CD1 4.11Å; I11-L25 HydrophobicContact CD1-CD2 4.19Å; I11-L25 HydrophobicContact CG1-CD1 4.49Å; I11-L25 HydrophobicContact CG2-CB 4.04Å; C13-L25 WeakPolarHBondContact O-CA 3.33Å; H14-L25 HydrophobicContact CB-CB 4.19Å; L25-P27 HydrophobicContact CD1-CB 4.38Å; L25-H33 HydrophobicContact CD1-CB 4.45Å; L25-H33 PolarHBondContact N-O 3.08Å; L25-H33 PolarHBondContact O-N 2.95Å; L25-Y35 HydrophobicContact CD1-CE2 4.32Å; L25-Y35 HydrophobicContact CD2-CD2 4.18Å; L25-Y35 HydrophobicContact CD2-CE2 4.37Å; L25-Y35 HydrophobicContact CG-CD2 4.34Å; L25-Y35 HydrophobicContact CG-CE2 4.39Å
26C98.4Very high97.6Very high0 Ų039.5 Ų39.50%019%0.188CC..  trans-100.8114.7172.5170.30000110S12 C13 N28 N29 V55 I58S12-C26 PolarHBondContact N-O 3.31Å; C13-C26 PolarHBondContact O-N 3.47Å; C26-N28 PolarHBondContact O-N 2.95Å; C26-N29 PolarHBondContact SG-O 2.84Å; C26-V55 HydrophobicContact CB-CB 4.1Å; C26-V55 HydrophobicContact CB-CG1 4.41Å; C26-V55 PolarHBondContact SG-O 3.08Å; C26-I58 HydrophobicContact CB-CD1 4.02Å
27P96.8Very high97.3Very high17 Ų1743.5 Ų43.511%0.1121%0.205CC..  trans-83.555.9-179.637.4-37.6000111.7L7 P10 L25 N29L7-P27 HydrophobicContact CD1-CB 3.74Å; L7-P27 HydrophobicContact CD2-CB 3.54Å; L7-P27 HydrophobicContact CG-CB 4.32Å; P10-P27 CarbonylContact O-C 3.51Å; L25-P27 HydrophobicContact CD1-CB 4.38Å; P27-N29 VanDerWaalsContact C-N 3.25Å; P27-N29 WeakPolarHBondContact CD-OD1 3.4Å; P27-N29 WeakPolarHBondContact CG-OD1 3.35Å; P27-N29 PolarHBondContact O-N 3.22Å
28N96.4Very high96.8Very high70 Ų7049 Ų4937%0.37424%0.235SC..SBendtrans56.131.7179.8-158.243.6000115.1E9 P10 S12 C26 Q54E9-N28 HydrophobicContact CB-CB 4.2Å; P10-N28 HydrophobicContact CB-CB 4.25Å; P10-N28 WeakPolarHBondContact O-CB 3.44Å; P10-N28 PolarHBondContact O-N 3.22Å; P10-N28 VanDerWaalsContact O-N 3.13Å; S12-N28 WeakPolarHBondContact OG-CA 3.38Å; C26-N28 PolarHBondContact O-N 2.95Å; N28-Q54 PolarHBondContact OD1-NE2 3.15Å
29N96.4Very high96.3Very high46 Ų4645.8 Ų45.825%0.24624%0.238CC..SBendtrans-140.4-162.8-176.773.53.8000112C26 P27 E31 Q54 V55C26-N29 PolarHBondContact SG-O 2.84Å; P27-N29 VanDerWaalsContact C-N 3.25Å; P27-N29 WeakPolarHBondContact CD-OD1 3.4Å; P27-N29 WeakPolarHBondContact CG-OD1 3.35Å; P27-N29 PolarHBondContact O-N 3.22Å; N29-E31 VanDerWaalsContact C-N 3.34Å; N29-E31 PolarHBondContact OD1-N 3.07Å; N29-E31 PolarHBondContact OD1-O 2.8Å; N29-Q54 VanDerWaalsContact O-CA 3.27Å; N29-Q54 WeakPolarHBondContact O-CA 3.42Å; N29-V55 PolarHBondContact O-N 3.17Å
30H97.8Very high95.8Very high86 Ų8647.6 Ų47.640%0.39825%0.253SS..SBendtrans-90.88.5-178.864.7-83.9000113.8H51 G53H30-H51 WeakPolarHBondContact CB-O 3.25Å; H30-H51 PolarHBondContact CD2-O 2.82Å; H30-H51 WeakPolarHBondContact O-CB 3.45Å; H30-G53 WeakPolarHBondContact CA-O 3.29Å; H30-G53 WeakPolarHBondContact CB-O 3.25Å
31E98.1Very high95.6Very high22 Ų2250.1 Ų50.110%0.10327%0.267CS..  trans-116.8158.8-176.7-54.5-177.1160.400111N29 H33 E47 L48 K49N29-E31 VanDerWaalsContact C-N 3.34Å; N29-E31 PolarHBondContact OD1-N 3.07Å; N29-E31 PolarHBondContact OD1-O 2.8Å; E31-H33 IonicContact OE2-CD2 2.68Å; E31-H33 IonicContact OE2-CE1 3.21Å; E31-H33 IonicContact OE2-NE2 3.27Å; E31-H33 PolarHBondContact OE2-NE2 3.45Å; E31-E47 VanDerWaalsContact OE2-OE1 3.1Å; E31-L48 WeakPolarHBondContact CA-O 3.28Å; E31-K49 HydrophobicContact CG-CD 4.42Å; E31-K49 HydrophobicContact CG-CG 3.99Å; E31-K49 WeakPolarHBondContact OE1-CD 3.3Å; E31-K49 WeakPolarHBondContact OE1-CE 3.38Å; E31-K49 IonicContact OE1-NZ 2.82Å; E31-K49 PolarHBondContact OE1-NZ 3.35Å; E31-K49 IonicContact OE2-NZ 2.76Å
32V98.8Very high95.6Very high1 Ų148.9 Ų48.91%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-117.2126.4167.2177.90000109.3A24 E47 L48 V55 I58 T69A24-V32 HydrophobicContact CB-CG1 3.93Å; V32-E47 WeakPolarHBondContact O-CA 3.34Å; V32-L48 HydrophobicContact CB-CB 4.08Å; V32-L48 HydrophobicContact CB-CD2 4.48Å; V32-L48 PolarHBondContact N-O 2.96Å; V32-L48 PolarHBondContact O-N 3.21Å; V32-V55 HydrophobicContact CG2-CB 4.3Å; V32-V55 HydrophobicContact CG2-CG1 3.89Å; V32-V55 HydrophobicContact CG2-CG2 4.1Å; V32-I58 HydrophobicContact CB-CD1 4.34Å; V32-I58 HydrophobicContact CG1-CD1 3.7Å; V32-I58 HydrophobicContact CG1-CG1 4.46Å; V32-I58 HydrophobicContact CG2-CD1 3.73Å; V32-I58 HydrophobicContact CG2-CG1 4.02Å; V32-T69 HydrophobicContact CG2-CG2 3.9Å
33H98.6Very high95.6Very high19 Ų1949.9 Ų49.99%0.08827%0.265CS..EExtended strand (participates in β ladder)trans-102.6130.5178.5-65-175.3000109.2A24 L25 E31 Y35 K44 E47A24-H33 WeakPolarHBondContact CA-O 3.34Å; L25-H33 HydrophobicContact CD1-CB 4.45Å; L25-H33 PolarHBondContact N-O 3.08Å; L25-H33 PolarHBondContact O-N 2.95Å; E31-H33 IonicContact OE2-CD2 2.68Å; E31-H33 IonicContact OE2-CE1 3.21Å; E31-H33 IonicContact OE2-NE2 3.27Å; E31-H33 PolarHBondContact OE2-NE2 3.45Å; H33-Y35 HydrophobicContact CB-CD2 4.18Å; H33-Y35 HydrophobicContact CB-CE2 3.59Å; H33-K44 HydrophobicContact CB-CD 3.86Å; H33-K44 HydrophobicContact CB-CG 4.38Å; H33-E47 IonicContact CD2-OE1 2.87Å; H33-E47 IonicContact CE1-OE1 3.77Å; H33-E47 IonicContact NE2-OE1 2.9Å; H33-E47 PolarHBondContact NE2-OE1 3.49Å
34I98.6Very high95.5Very high0 Ų054.1 Ų54.10%028%0.283CS..EExtended strand (participates in β ladder)trans-105.7120.7175.8-53.6-178.7000108.6Q22 I23 A24 I45 H46 L48 W60 I67 W86Q22-I34 HydrophobicContact CB-CG2 4.14Å; I23-I34 CarbonylContact O-C 3.47Å; I23-I34 WeakPolarHBondContact O-CA 3.23Å; A24-I34 HydrophobicContact CB-CG1 4.09Å; I34-I45 HydrophobicContact CB-CG1 4.39Å; I34-I45 HydrophobicContact CG2-CD1 4.19Å; I34-I45 HydrophobicContact CG2-CG1 4.09Å; I34-I45 VanDerWaalsContact O-CG1 3.3Å; I34-I45 WeakPolarHBondContact O-CG1 3.37Å; I34-I45 PolarHBondContact O-N 3.14Å; I34-H46 HydrophobicContact CB-CB 4.04Å; I34-H46 HydrophobicContact CD1-CB 4.1Å; I34-H46 HydrophobicContact CG1-CB 4.23Å; I34-H46 PolarHBondContact N-O 2.56Å; I34-H46 PolarHBondContact O-N 2.85Å; I34-L48 HydrophobicContact CD1-CD1 3.71Å; I34-L48 HydrophobicContact CD1-CD2 4.45Å; I34-L48 HydrophobicContact CG1-CD1 4.12Å; I34-W60 HydrophobicContact CD1-CH2 4.21Å; I34-W60 HydrophobicContact CG2-CH2 3.92Å; I34-W60 HydrophobicContact CG2-CZ3 4.13Å; I34-I67 HydrophobicContact CD1-CD1 3.63Å; I34-W86 HydrophobicContact CD1-CD2 4.42Å; I34-W86 HydrophobicContact CD1-CG 4.46Å; I34-W86 HydrophobicContact CD1-CZ2 4.24Å
35Y98.4Very high95.5Very high33 Ų3357.1 Ų57.113%0.12930%0.299CS..EExtended strand (participates in β ladder)trans-107.3139.6176.8-71.9-102.3000110.7F6 Q22 I23 L25 H33 W42 T43 K44F6-Y35 AromaticContact CD1-CD1 3.82Å; F6-Y35 HydrophobicContact CD1-CD1 3.82Å; F6-Y35 HydrophobicContact CD1-CD2 4.03Å; F6-Y35 AromaticContact CD1-CE1 3.82Å; F6-Y35 HydrophobicContact CD1-CE1 3.82Å; F6-Y35 HydrophobicContact CD1-CE2 4.04Å; F6-Y35 AromaticContact CD1-CG 3.93Å; F6-Y35 HydrophobicContact CD1-CG 3.93Å; F6-Y35 AromaticContact CD1-CZ 3.94Å; F6-Y35 AromaticContact CE1-CD1 3.68Å; F6-Y35 HydrophobicContact CE1-CD1 3.68Å; F6-Y35 AromaticContact CE1-CD2 3.97Å; F6-Y35 HydrophobicContact CE1-CD2 3.97Å; F6-Y35 HydrophobicContact CE1-CE1 4.17Å; F6-Y35 HydrophobicContact CE1-CE2 4.44Å; F6-Y35 AromaticContact CE1-CG 3.56Å; F6-Y35 HydrophobicContact CE1-CG 3.56Å; Q22-Y35 VanDerWaalsContact CA-O 3.25Å; Q22-Y35 WeakPolarHBondContact CA-O 2.95Å; I23-Y35 PolarHBondContact N-O 3.19Å; I23-Y35 PolarHBondContact O-N 2.74Å; L25-Y35 HydrophobicContact CD1-CE2 4.32Å; L25-Y35 HydrophobicContact CD2-CD2 4.18Å; L25-Y35 HydrophobicContact CD2-CE2 4.37Å; L25-Y35 HydrophobicContact CG-CD2 4.34Å; L25-Y35 HydrophobicContact CG-CE2 4.39Å; H33-Y35 HydrophobicContact CB-CD2 4.18Å; H33-Y35 HydrophobicContact CB-CE2 3.59Å; Y35-W42 HydrophobicContact CD1-CB 4.2Å; Y35-T43 CarbonylContact C-O 3.56Å; Y35-T43 VanDerWaalsContact CA-O 3.29Å; Y35-T43 WeakPolarHBondContact CA-O 3.37Å; Y35-K44 HydrophobicContact CD1-CB 4.06Å; Y35-K44 HydrophobicContact CE1-CB 3.71Å; Y35-K44 HydrophobicContact CE2-CB 4.36Å; Y35-K44 HydrophobicContact CE2-CG 4.4Å
36K97.1Very high95.5Very high102 Ų10259.6 Ų59.644%0.44331%0.31SS..EExtended strand (participates in β ladder)trans-109.7141169.6-175.2178.3179.1-177.10109.6Q22 T43 I45Q22-K36 HydrophobicContact CG-CB 4.29Å; Q22-K36 HydrophobicContact CG-CG 4.34Å; K36-T43 PolarHBondContact N-O 2.84Å; K36-T43 PolarHBondContact O-N 2.99Å; K36-I45 HydrophobicContact CB-CD1 3.92Å; K36-I45 HydrophobicContact CB-CG1 4.24Å; K36-I45 HydrophobicContact CB-CG2 3.93Å
37K92.6Very high95.5Very high98 Ų9863.1 Ų63.143%0.42633%0.326SS..EExtended strand (participates in β ladder)trans-86.9128.8172.8-166.1175178.4179.90110.5T21 G39 W42T21-K37 PolarHBondContact O-N 2.98Å; K37-G39 WeakPolarHBondContact CE-O 3.44Å; K37-W42 HydrophobicContact CB-CD2 4.13Å; K37-W42 HydrophobicContact CB-CE3 3.87Å; K37-W42 HydrophobicContact CB-CH2 3.72Å; K37-W42 HydrophobicContact CB-CZ2 3.99Å; K37-W42 HydrophobicContact CB-CZ3 3.66Å; K37-W42 HydrophobicContact CD-CH2 4.2Å; K37-W42 HydrophobicContact CD-CZ2 3.78Å; K37-W42 HydrophobicContact CG-CD2 4.35Å; K37-W42 HydrophobicContact CG-CH2 4.35Å; K37-W42 HydrophobicContact CG-CZ2 4.12Å
38D89.1Confident95.6Very high128 Ų12862.5 Ų62.568%0.68432%0.322SS*.EExtended strand (participates in β ladder)trans-126.9108.1169.1-173.613.9000109T40 K41D38-T40 PolarHBondContact O-N 3.13Å; D38-T40 VanDerWaalsContact O-N 3.07Å; D38-K41 PolarHBondContact N-O 2.96Å; D38-K41 PolarHBondContact O-N 2.75Å
39G86.1Confident95.6Very high61 Ų6164.2 Ų64.263%0.62933%0.327SS*.THydrogen-bonded Turntrans57.5-110.9-168.500000112.2K37K37-G39 WeakPolarHBondContact CE-O 3.44Å
40T85.1Confident95.7Very high138 Ų13866.3 Ų66.385%0.84734%0.335SS*.THydrogen-bonded Turntrans-100.8-7.9176.3560000113.7D38D38-T40 PolarHBondContact O-N 3.13Å; D38-T40 VanDerWaalsContact O-N 3.07Å
41K91.1Very high95.8Very high142 Ų14262.4 Ų62.462%0.61732%0.317SS*.EExtended strand (participates in β ladder)trans-94.9138.8-175.1-172.8178.3177.3-176.10110.6D38D38-K41 PolarHBondContact N-O 2.96Å; D38-K41 PolarHBondContact O-N 2.75Å
42W95.3Very high95.7Very high25 Ų2568.4 Ų68.410%0.09535%0.349CS..EExtended strand (participates in β ladder)trans-100.1131.9167.6-71.498.6000109.6H4 F6 W16 I23 Y35 K37 M362H4-W42 AromaticContact CD2-CD1 3.36Å; H4-W42 AromaticContact CD2-CG 3.87Å; H4-W42 AromaticContact CE1-CD1 3.67Å; H4-W42 AromaticContact CG-CD1 3.46Å; H4-W42 VanDerWaalsContact CG-CD1 3.46Å; H4-W42 AromaticContact CG-NE1 3.93Å; H4-W42 AromaticContact ND1-CD1 3.65Å; H4-W42 AromaticContact NE2-CD1 3.47Å; H4-W42 AromaticContact NE2-CG 3.77Å; F6-W42 HydrophobicContact CE1-CB 3.81Å; F6-W42 HydrophobicContact CE1-CD2 4.04Å; F6-W42 HydrophobicContact CE1-CE3 4.31Å; F6-W42 AromaticContact CE1-CG 3.84Å; F6-W42 HydrophobicContact CE1-CG 3.84Å; F6-W42 HydrophobicContact CZ-CB 4.49Å; F6-W42 AromaticContact CZ-CD2 3.9Å; F6-W42 HydrophobicContact CZ-CD2 3.9Å; F6-W42 HydrophobicContact CZ-CE3 4.21Å; F6-W42 HydrophobicContact CZ-CG 4.03Å; W16-W42 AromaticContact CH2-CH2 3.46Å; W16-W42 HydrophobicContact CH2-CH2 3.46Å; W16-W42 VanDerWaalsContact CH2-CH2 3.46Å; W16-W42 AromaticContact CH2-CZ2 3.95Å; W16-W42 HydrophobicContact CH2-CZ2 3.95Å; W16-W42 HydrophobicContact CH2-CZ3 4.49Å; W16-W42 AromaticContact CZ3-CH2 3.64Å; W16-W42 HydrophobicContact CZ3-CH2 3.64Å; W16-W42 HydrophobicContact CZ3-CZ3 4.44Å; I23-W42 HydrophobicContact CG2-CE3 4.17Å; I23-W42 HydrophobicContact CG2-CH2 4.1Å; I23-W42 HydrophobicContact CG2-CZ3 3.65Å; Y35-W42 HydrophobicContact CD1-CB 4.2Å; K37-W42 HydrophobicContact CB-CD2 4.13Å; K37-W42 HydrophobicContact CB-CE3 3.87Å; K37-W42 HydrophobicContact CB-CH2 3.72Å; K37-W42 HydrophobicContact CB-CZ2 3.99Å; K37-W42 HydrophobicContact CB-CZ3 3.66Å; K37-W42 HydrophobicContact CD-CH2 4.2Å; K37-W42 HydrophobicContact CD-CZ2 3.78Å; K37-W42 HydrophobicContact CG-CD2 4.35Å; K37-W42 HydrophobicContact CG-CH2 4.35Å; K37-W42 HydrophobicContact CG-CZ2 4.12Å; W42-M362 HydrophobicContact CZ2-CE 3.9Å; W42-M362 HydrophobicContact CZ2-SD 4.45Å
43T96.6Very high95.7Very high60 Ų6069.1 Ų69.137%0.36836%0.357SS..EExtended strand (participates in β ladder)trans-126.3129.2179.3-54.10000109.3Y35 K36 I45Y35-T43 CarbonylContact C-O 3.56Å; Y35-T43 VanDerWaalsContact CA-O 3.29Å; Y35-T43 WeakPolarHBondContact CA-O 3.37Å; K36-T43 PolarHBondContact N-O 2.84Å; K36-T43 PolarHBondContact O-N 2.99Å; T43-I45 PolarHBondContact O-N 2.73Å
44K97.5Very high95.7Very high89 Ų8972 Ų7239%0.38737%0.371SS..EExtended strand (participates in β ladder)trans-68.1119.9172.3-172.9169.870.31700108.4H33 Y35 E47H33-K44 HydrophobicContact CB-CD 3.86Å; H33-K44 HydrophobicContact CB-CG 4.38Å; Y35-K44 HydrophobicContact CD1-CB 4.06Å; Y35-K44 HydrophobicContact CE1-CB 3.71Å; Y35-K44 HydrophobicContact CE2-CB 4.36Å; Y35-K44 HydrophobicContact CE2-CG 4.4Å; K44-E47 IonicContact NZ-OE1 3.11Å; K44-E47 PolarHBondContact NZ-OE1 2.82Å
45I97.9Very high95.7Very high62 Ų6272 Ų7232%0.31837%0.371SS..EExtended strand (participates in β ladder)trans-109.3-25.6-178.356.2160.2000112.9Q22 I34 K36 T43Q22-I45 HydrophobicContact CG-CD1 4.29Å; I34-I45 HydrophobicContact CB-CG1 4.39Å; I34-I45 HydrophobicContact CG2-CD1 4.19Å; I34-I45 HydrophobicContact CG2-CG1 4.09Å; I34-I45 VanDerWaalsContact O-CG1 3.3Å; I34-I45 WeakPolarHBondContact O-CG1 3.37Å; I34-I45 PolarHBondContact O-N 3.14Å; K36-I45 HydrophobicContact CB-CD1 3.92Å; K36-I45 HydrophobicContact CB-CG1 4.24Å; K36-I45 HydrophobicContact CB-CG2 3.93Å; T43-I45 PolarHBondContact O-N 2.73Å
46H98.4Very high95.7Very high52 Ų5271.3 Ų71.324%0.24137%0.37CS..EExtended strand (participates in β ladder)trans-142.4159.5175.6-58.5-70.5000111.8I34 L48 G84 W86I34-H46 HydrophobicContact CB-CB 4.04Å; I34-H46 HydrophobicContact CD1-CB 4.1Å; I34-H46 HydrophobicContact CG1-CB 4.23Å; I34-H46 PolarHBondContact N-O 2.56Å; I34-H46 PolarHBondContact O-N 2.85Å; H46-L48 HydrophobicContact CB-CD1 4.12Å; H46-G84 PolarHBondContact CE1-O 3.04Å; H46-G84 VanDerWaalsContact CE1-O 3.23Å; H46-W86 AromaticContact CD2-CD1 3.78Å; H46-W86 AromaticContact CD2-NE1 3.51Å; H46-W86 AromaticContact CG-CD1 3.65Å; H46-W86 AromaticContact CG-NE1 3.88Å; H46-W86 AromaticContact NE2-NE1 3.91Å
47E98.2Very high95.8Very high74 Ų7466.7 Ų66.735%0.34635%0.352SS..EExtended strand (participates in β ladder)trans-139.6120.4176.7-165167.7-122.800108.2E31 V32 H33 K44 K49E31-E47 VanDerWaalsContact OE2-OE1 3.1Å; V32-E47 WeakPolarHBondContact O-CA 3.34Å; H33-E47 IonicContact CD2-OE1 2.87Å; H33-E47 IonicContact CE1-OE1 3.77Å; H33-E47 IonicContact NE2-OE1 2.9Å; H33-E47 PolarHBondContact NE2-OE1 3.49Å; K44-E47 IonicContact NZ-OE1 3.11Å; K44-E47 PolarHBondContact NZ-OE1 2.82Å; E47-K49 HydrophobicContact CG-CD 4.35Å; E47-K49 HydrophobicContact CG-CG 4.01Å; E47-K49 IonicContact OE1-NZ 3.52Å; E47-K49 WeakPolarHBondContact OE2-CE 3.43Å; E47-K49 IonicContact OE2-NZ 3.51Å; E47-K49 PolarHBondContact OE2-NZ 3.48Å
48L98.6Very high96.1Very high4 Ų462.2 Ų62.22%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-104.3110.6-176.2-81.658.9000107.9E31 V32 I34 H46 I67 W79 W86E31-L48 WeakPolarHBondContact CA-O 3.28Å; V32-L48 HydrophobicContact CB-CB 4.08Å; V32-L48 HydrophobicContact CB-CD2 4.48Å; V32-L48 PolarHBondContact N-O 2.96Å; V32-L48 PolarHBondContact O-N 3.21Å; I34-L48 HydrophobicContact CD1-CD1 3.71Å; I34-L48 HydrophobicContact CD1-CD2 4.45Å; I34-L48 HydrophobicContact CG1-CD1 4.12Å; H46-L48 HydrophobicContact CB-CD1 4.12Å; L48-I67 HydrophobicContact CD2-CD1 4.35Å; L48-W79 HydrophobicContact CB-CD2 4.31Å; L48-W79 HydrophobicContact CB-CE3 4.1Å; L48-W79 HydrophobicContact CB-CH2 3.62Å; L48-W79 HydrophobicContact CB-CZ2 3.87Å; L48-W79 HydrophobicContact CB-CZ3 3.75Å; L48-W79 HydrophobicContact CD2-CB 4.22Å; L48-W79 HydrophobicContact CD2-CD2 3.49Å; L48-W79 VanDerWaalsContact CD2-CD2 3.49Å; L48-W79 HydrophobicContact CD2-CE3 3.77Å; L48-W79 HydrophobicContact CD2-CG 3.69Å; L48-W79 HydrophobicContact CD2-CZ2 4.38Å; L48-W79 HydrophobicContact CD2-CZ3 4.3Å; L48-W79 HydrophobicContact CG-CD2 3.86Å; L48-W79 HydrophobicContact CG-CE3 3.6Å; L48-W79 HydrophobicContact CG-CH2 4.09Å; L48-W79 HydrophobicContact CG-CZ2 4.35Å; L48-W79 HydrophobicContact CG-CZ3 3.72Å; L48-W86 HydrophobicContact CD1-CB 3.89Å; L48-W86 HydrophobicContact CD1-CG 3.92Å; L48-W86 HydrophobicContact CD2-CB 4.42Å; L48-W86 HydrophobicContact CG-CB 4.01Å; L48-W86 HydrophobicContact CG-CG 4.41Å
49K97.8Very high96.5Very high107 Ų10757.3 Ų57.347%0.46531%0.306SS..  trans-125.186.8-172-53.8-168.4-173.3-148.50112E31 E47E31-K49 HydrophobicContact CG-CD 4.42Å; E31-K49 HydrophobicContact CG-CG 3.99Å; E31-K49 WeakPolarHBondContact OE1-CD 3.3Å; E31-K49 WeakPolarHBondContact OE1-CE 3.38Å; E31-K49 IonicContact OE1-NZ 2.82Å; E31-K49 PolarHBondContact OE1-NZ 3.35Å; E31-K49 IonicContact OE2-NZ 2.76Å; E47-K49 HydrophobicContact CG-CD 4.35Å; E47-K49 HydrophobicContact CG-CG 4.01Å; E47-K49 IonicContact OE1-NZ 3.52Å; E47-K49 WeakPolarHBondContact OE2-CE 3.43Å; E47-K49 IonicContact OE2-NZ 3.51Å; E47-K49 PolarHBondContact OE2-NZ 3.48Å
50E98.4Very high97.2Very high89 Ų8954.9 Ų54.942%0.41628%0.278SS..  trans-140.3-17.1176-158.867.3-140.200113.1Y77 W79 P88E50-Y77 HydrophobicContact CB-CD2 4.28Å; E50-Y77 HydrophobicContact CB-CE1 4.38Å; E50-Y77 HydrophobicContact CB-CE2 4.02Å; E50-Y77 HydrophobicContact CG-CD1 4.05Å; E50-Y77 HydrophobicContact CG-CD2 4.42Å; E50-Y77 HydrophobicContact CG-CE1 3.53Å; E50-Y77 HydrophobicContact CG-CE2 3.93Å; E50-Y77 HydrophobicContact CG-CG 4.48Å; E50-Y77 VanDerWaalsContact CG-CZ 3.45Å; E50-Y77 PolarHBondContact O-OH 3.01Å; E50-W79 HydrophobicContact CB-CH2 3.51Å; E50-W79 HydrophobicContact CB-CZ2 3.87Å; E50-P88 HydrophobicContact CB-CB 4.29Å; E50-P88 HydrophobicContact CB-CG 4.14Å; E50-P88 HydrophobicContact CG-CB 4.1Å; E50-P88 HydrophobicContact CG-CG 3.82Å
51H98.5Very high97.8Very high5 Ų548.3 Ų48.32%0.02324%0.238CC..  trans-76.9144175.6-79.4-75.3000110.8H30 V55 T69 D73 N75 Y77H30-H51 WeakPolarHBondContact CB-O 3.25Å; H30-H51 PolarHBondContact CD2-O 2.82Å; H30-H51 WeakPolarHBondContact O-CB 3.45Å; H51-V55 HydrophobicContact CB-CG2 4.01Å; H51-T69 PolarHBondContact CD2-OG1 2.77Å; H51-T69 WeakPolarHBondContact NE2-CB 3.41Å; H51-T69 PolarHBondContact NE2-OG1 2.92Å; H51-D73 VanDerWaalsContact CA-OD2 3.25Å; H51-D73 WeakPolarHBondContact CA-OD2 3.33Å; H51-D73 WeakPolarHBondContact CB-OD2 3.47Å; H51-D73 IonicContact CE1-OD1 3.64Å; H51-D73 IonicContact CG-OD2 3.08Å; H51-D73 VanDerWaalsContact ND1-CG 3.34Å; H51-D73 IonicContact ND1-OD1 3.73Å; H51-D73 PolarHBondContact ND1-OD1 2.76Å; H51-D73 VanDerWaalsContact ND1-OD1 3.11Å; H51-D73 IonicContact ND1-OD2 3.87Å; H51-D73 PolarHBondContact ND1-OD2 2.81Å; H51-N75 PolarHBondContact CE1-O 2.79Å; H51-Y77 AromaticContact CD2-CD2 3.82Å; H51-Y77 AromaticContact CE1-CD2 3.5Å; H51-Y77 AromaticContact CE1-CE2 3.78Å; H51-Y77 AromaticContact CG-CE2 3.96Å; H51-Y77 AromaticContact ND1-CD2 3.86Å; H51-Y77 AromaticContact ND1-CE2 3.69Å; H51-Y77 AromaticContact NE2-CD2 3.49Å; H51-Y77 WeakPolarHBondContact NE2-CD2 3Å
52N97.7Very high98.1Very high147 Ų14744.1 Ų44.179%0.78623%0.225SC*.SBendtrans-10412.3175.6-72.5-36.9000112.6D73N52-D73 HydrophobicContact CB-CB 4.33Å; N52-D73 PolarHBondContact N-OD2 3.01Å
53G97.8Very high98.2Very high17 Ų1748.2 Ų48.218%0.17525%0.249CC..SBendtrans-154170.6178.400000109.6H30 V55H30-G53 WeakPolarHBondContact CA-O 3.29Å; H30-G53 WeakPolarHBondContact CB-O 3.25Å; G53-V55 PolarHBondContact O-N 3.34Å
54Q98.4Very high98.3Very high78 Ų7847.7 Ų47.736%0.36425%0.247SC..  trans-55.1132.3-176.3-175.2176.21000112S12 N28 N29 T56 G71 A72S12-Q54 PolarHBondContact OG-NE2 3.14Å; N28-Q54 PolarHBondContact OD1-NE2 3.15Å; N29-Q54 VanDerWaalsContact O-CA 3.27Å; N29-Q54 WeakPolarHBondContact O-CA 3.42Å; Q54-T56 PolarHBondContact O-N 2.79Å; Q54-G71 CarbonylContact O-C 3.6Å; Q54-G71 VanDerWaalsContact O-CA 3.22Å; Q54-G71 WeakPolarHBondContact O-CA 3.29Å; Q54-A72 PolarHBondContact O-N 2.68Å
55V98.8Very high98.3Very high0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-76.8120.7173-178.70000108.8C26 N29 V32 H51 G53 I58C26-V55 HydrophobicContact CB-CB 4.1Å; C26-V55 HydrophobicContact CB-CG1 4.41Å; C26-V55 PolarHBondContact SG-O 3.08Å; N29-V55 PolarHBondContact O-N 3.17Å; V32-V55 HydrophobicContact CG2-CB 4.3Å; V32-V55 HydrophobicContact CG2-CG1 3.89Å; V32-V55 HydrophobicContact CG2-CG2 4.1Å; H51-V55 HydrophobicContact CB-CG2 4.01Å; G53-V55 PolarHBondContact O-N 3.34Å; V55-I58 HydrophobicContact CG1-CD1 4.44Å; V55-I58 HydrophobicContact CG1-CG1 3.91Å
56T98.7Very high98.3Very high20 Ų2045.7 Ų45.712%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-106.7-16.5-172.257.20000113.2Q54 C70 A99 R100Q54-T56 PolarHBondContact O-N 2.79Å; T56-C70 PolarHBondContact N-O 2.85Å; T56-C70 PolarHBondContact OG1-O 2.94Å; T56-A99 PolarHBondContact OG1-O 3.38Å; T56-R100 CarbonylContact C-O 3.59Å; T56-R100 PolarHBondContact O-NH1 3.2Å; T56-R100 VanDerWaalsContact O-O 3.1Å; T56-R100 WeakPolarHBondContact OG1-CA 3.26Å; T56-R100 PolarHBondContact OG1-O 3.15Å
57G98.8Very high98.4Very high5 Ų543.2 Ų43.25%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-150.2141.8176.200000112T69 C70G57-T69 WeakPolarHBondContact O-CA 3.43Å; G57-C70 PolarHBondContact N-O 2.74Å; G57-C70 PolarHBondContact O-N 2.88Å
58I98.9Very high98.4Very high3 Ų339.7 Ų39.72%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-134.5137.5173.6-57.5162.4000106.9A15 A24 C26 V32 V55 I67 V68 T69A15-I58 HydrophobicContact CB-CB 4.39Å; A15-I58 HydrophobicContact CB-CG2 3.76Å; A24-I58 HydrophobicContact CB-CG2 4.2Å; C26-I58 HydrophobicContact CB-CD1 4.02Å; V32-I58 HydrophobicContact CB-CD1 4.34Å; V32-I58 HydrophobicContact CG1-CD1 3.7Å; V32-I58 HydrophobicContact CG1-CG1 4.46Å; V32-I58 HydrophobicContact CG2-CD1 3.73Å; V32-I58 HydrophobicContact CG2-CG1 4.02Å; V55-I58 HydrophobicContact CG1-CD1 4.44Å; V55-I58 HydrophobicContact CG1-CG1 3.91Å; I58-I67 HydrophobicContact CG2-CG2 3.82Å; I58-V68 WeakPolarHBondContact CA-O 2.95Å; I58-T69 HydrophobicContact CG1-CG2 4.22Å; I58-T69 HydrophobicContact CG2-CG2 4.49Å
59D98.9Very high98.4Very high26 Ų2639.5 Ų39.514%0.13921%0.209CC..EExtended strand (participates in β ladder)trans-140.9145.1166.2-150.840.9000110.5I67 V68 K103 W104D59-I67 CarbonylContact O-C 3.57Å; D59-I67 WeakPolarHBondContact O-CA 3.2Å; D59-V68 HydrophobicContact CB-CG1 3.84Å; D59-V68 PolarHBondContact N-O 2.82Å; D59-V68 PolarHBondContact O-N 2.98Å; D59-K103 HydrophobicContact CB-CD 4.35Å; D59-K103 IonicContact OD1-NZ 2.77Å; D59-K103 PolarHBondContact OD1-NZ 2.89Å; D59-K103 WeakPolarHBondContact OD2-CA 3.18Å; D59-K103 WeakPolarHBondContact OD2-CD 3.45Å; D59-W104 PolarHBondContact OD2-N 3.22Å
60W98.8Very high98.5Very high10 Ų1034.4 Ų34.44%0.03819%0.187CC..EExtended strand (participates in β ladder)trans-120.7113.6-174.5-158.4-29.4000109.2A15 N17 Q22 A24 I34 P62 N65 I67 W86A15-W60 HydrophobicContact CB-CB 3.87Å; N17-W60 HydrophobicContact CB-CD2 3.83Å; N17-W60 HydrophobicContact CB-CE3 4.05Å; N17-W60 HydrophobicContact CB-CG 4.48Å; N17-W60 HydrophobicContact CB-CH2 3.89Å; N17-W60 HydrophobicContact CB-CZ2 3.64Å; N17-W60 HydrophobicContact CB-CZ3 4.08Å; Q22-W60 HydrophobicContact CB-CH2 3.88Å; Q22-W60 HydrophobicContact CB-CZ3 4.15Å; A24-W60 HydrophobicContact CB-CE3 3.87Å; A24-W60 HydrophobicContact CB-CZ3 3.79Å; I34-W60 HydrophobicContact CD1-CH2 4.21Å; I34-W60 HydrophobicContact CG2-CH2 3.92Å; I34-W60 HydrophobicContact CG2-CZ3 4.13Å; W60-P62 VanDerWaalsContact O-CD 3.28Å; W60-P62 WeakPolarHBondContact O-CD 3.12Å; W60-N65 PolarHBondContact NE1-OD1 3.4Å; W60-I67 HydrophobicContact CB-CG1 4.37Å; W60-I67 HydrophobicContact CD2-CD1 3.83Å; W60-I67 HydrophobicContact CD2-CG1 3.52Å; W60-I67 HydrophobicContact CE3-CD1 3.92Å; W60-I67 HydrophobicContact CE3-CG1 4.05Å; W60-I67 HydrophobicContact CG-CD1 4.49Å; W60-I67 HydrophobicContact CG-CG1 3.67Å; W60-I67 HydrophobicContact CH2-CD1 3.96Å; W60-I67 HydrophobicContact CZ2-CD1 3.88Å; W60-I67 HydrophobicContact CZ2-CG1 4.21Å; W60-I67 HydrophobicContact CZ3-CD1 3.98Å; W60-W86 AromaticContact CE2-CH2 3.99Å; W60-W86 HydrophobicContact CH2-CZ2 4.19Å; W60-W86 AromaticContact CZ2-CH2 3.77Å; W60-W86 HydrophobicContact CZ2-CH2 3.77Å; W60-W86 AromaticContact CZ2-CZ2 3.55Å; W60-W86 HydrophobicContact CZ2-CZ2 3.55Å; W60-W86 AromaticContact NE1-CH2 3.94Å
61A98.6Very high98.5Very high0 Ų030.2 Ų30.20%017%0.167CC..  trans-68.8112.8177.200000109.1D63 S64 N65 R66 W104 E108A61-D63 PolarHBondContact O-N 2.98Å; A61-S64 WeakPolarHBondContact CB-OG 3.21Å; A61-N65 VanDerWaalsContact O-CA 3.3Å; A61-N65 WeakPolarHBondContact O-CA 3.12Å; A61-N65 PolarHBondContact O-N 2.84Å; A61-N65 VanDerWaalsContact O-N 3.08Å; A61-R66 HydrophobicContact CB-CB 4.34Å; A61-R66 WeakPolarHBondContact CB-O 3.05Å; A61-R66 PolarHBondContact N-O 3.17Å; A61-W104 HydrophobicContact CB-CD2 4Å; A61-W104 HydrophobicContact CB-CG 3.91Å; A61-E108 HydrophobicContact CB-CB 4.37Å; A61-E108 HydrophobicContact CB-CG 3.98Å; A61-E108 WeakPolarHBondContact CB-OE2 3.14Å
62P97.3Very high98.5Very high54 Ų5432.1 Ų32.135%0.35118%0.184SC..THydrogen-bonded Turntrans-63.5-39.6-17222.7-34000114.6K18 W60 E108K18-P62 HydrophobicContact CB-CB 3.73Å; K18-P62 WeakPolarHBondContact CB-O 3.32Å; K18-P62 HydrophobicContact CD-CB 4.22Å; K18-P62 WeakPolarHBondContact CD-O 3.5Å; K18-P62 HydrophobicContact CG-CB 3.96Å; W60-P62 VanDerWaalsContact O-CD 3.28Å; W60-P62 WeakPolarHBondContact O-CD 3.12Å; P62-E108 WeakPolarHBondContact CD-OE1 3.48Å; P62-E108 VanDerWaalsContact CG-OE1 3.23Å; P62-E108 WeakPolarHBondContact CG-OE1 3.41Å
63D97.8Very high98.5Very high111 Ų11126.1 Ų26.159%0.59415%0.152SC*.THydrogen-bonded Turntrans-87.5-46.1-171.9-66.3-33.7000112.4K18 A61 N65 E108K18-D63 WeakPolarHBondContact CE-OD1 3.47Å; K18-D63 IonicContact NZ-OD1 2.91Å; K18-D63 PolarHBondContact NZ-OD1 2.96Å; A61-D63 PolarHBondContact O-N 2.98Å; D63-N65 VanDerWaalsContact C-N 3.28Å; D63-N65 PolarHBondContact O-N 2.97Å; D63-E108 WeakPolarHBondContact CB-OE1 3.42Å; D63-E108 PolarHBondContact N-OE1 2.87Å
64S97.8Very high98.5Very high49 Ų4931.7 Ų31.734%0.34317%0.168SC..THydrogen-bonded Turntrans-79.9-8.8177.361.50000113.7A61 R66 E108A61-S64 WeakPolarHBondContact CB-OG 3.21Å; S64-R66 PolarHBondContact O-N 2.91Å; S64-R66 PolarHBondContact OG-NE 2.76Å; S64-R66 PolarHBondContact OG-NH2 2.86Å; S64-E108 WeakPolarHBondContact CA-OE2 3.4Å; S64-E108 WeakPolarHBondContact CB-OE2 3.48Å; S64-E108 PolarHBondContact N-OE2 3.28Å; S64-E108 PolarHBondContact OG-OE2 2.65Å
65N98.4Very high98.5Very high60 Ų6030.2 Ų30.232%0.32116%0.162SC..  trans51.439.4-177.2-168.236.5000113.1W60 A61 D63 W86W60-N65 PolarHBondContact NE1-OD1 3.4Å; A61-N65 VanDerWaalsContact O-CA 3.3Å; A61-N65 WeakPolarHBondContact O-CA 3.12Å; A61-N65 PolarHBondContact O-N 2.84Å; A61-N65 VanDerWaalsContact O-N 3.08Å; D63-N65 VanDerWaalsContact C-N 3.28Å; D63-N65 PolarHBondContact O-N 2.97Å; N65-W86 VanDerWaalsContact O-CH2 3.25Å; N65-W86 WeakPolarHBondContact O-CH2 3.36Å; N65-W86 WeakPolarHBondContact O-CZ3 3.23Å
66R98.6Very high98.5Very high49 Ų4930.2 Ų30.219%0.18516%0.162CC..EExtended strand (participates in β ladder)trans-101.5138.4174.1-69.4176.9-63.3167.46.1110.1A61 S64 V78 W79 W104 E108A61-R66 HydrophobicContact CB-CB 4.34Å; A61-R66 WeakPolarHBondContact CB-O 3.05Å; A61-R66 PolarHBondContact N-O 3.17Å; S64-R66 PolarHBondContact O-N 2.91Å; S64-R66 PolarHBondContact OG-NE 2.76Å; S64-R66 PolarHBondContact OG-NH2 2.86Å; R66-V78 HydrophobicContact CB-CG1 4.3Å; R66-V78 HydrophobicContact CG-CG1 4.48Å; R66-W79 WeakPolarHBondContact CA-O 3.49Å; R66-W104 HydrophobicContact CB-CZ2 4.05Å; R66-W104 PolarHBondContact O-NE1 2.77Å; R66-E108 PolarHBondContact NH2-O 3.5Å
67I98.9Very high98.5Very high0 Ų030.2 Ų30.20%016%0.16CC..EExtended strand (participates in β ladder)trans-99.9136.8170.9-62.3168.4000107.5A24 I34 L48 I58 D59 W60 T69 V78 W79 W86A24-I67 HydrophobicContact CB-CD1 4.43Å; I34-I67 HydrophobicContact CD1-CD1 3.63Å; L48-I67 HydrophobicContact CD2-CD1 4.35Å; I58-I67 HydrophobicContact CG2-CG2 3.82Å; D59-I67 CarbonylContact O-C 3.57Å; D59-I67 WeakPolarHBondContact O-CA 3.2Å; W60-I67 HydrophobicContact CB-CG1 4.37Å; W60-I67 HydrophobicContact CD2-CD1 3.83Å; W60-I67 HydrophobicContact CD2-CG1 3.52Å; W60-I67 HydrophobicContact CE3-CD1 3.92Å; W60-I67 HydrophobicContact CE3-CG1 4.05Å; W60-I67 HydrophobicContact CG-CD1 4.49Å; W60-I67 HydrophobicContact CG-CG1 3.67Å; W60-I67 HydrophobicContact CH2-CD1 3.96Å; W60-I67 HydrophobicContact CZ2-CD1 3.88Å; W60-I67 HydrophobicContact CZ2-CG1 4.21Å; W60-I67 HydrophobicContact CZ3-CD1 3.98Å; I67-T69 HydrophobicContact CG2-CG2 3.95Å; I67-V78 CarbonylContact O-C 3.58Å; I67-V78 WeakPolarHBondContact O-CA 3.37Å; I67-W79 HydrophobicContact CB-CB 4.15Å; I67-W79 PolarHBondContact N-O 3.37Å; I67-W79 VanDerWaalsContact N-O 3.13Å; I67-W79 PolarHBondContact O-N 3.15Å; I67-W86 HydrophobicContact CB-CZ3 4.3Å; I67-W86 HydrophobicContact CD1-CD2 4.31Å; I67-W86 HydrophobicContact CD1-CE3 4.19Å; I67-W86 HydrophobicContact CD1-CH2 3.63Å; I67-W86 HydrophobicContact CD1-CZ2 3.78Å; I67-W86 HydrophobicContact CD1-CZ3 3.86Å; I67-W86 HydrophobicContact CG1-CH2 3.78Å; I67-W86 HydrophobicContact CG1-CZ2 4.42Å; I67-W86 HydrophobicContact CG1-CZ3 3.84Å
68V98.9Very high98.5Very high0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans-111.7135.4165.867.70000109I58 D59 Y77 V78 V102 W104 F111I58-V68 WeakPolarHBondContact CA-O 2.95Å; D59-V68 HydrophobicContact CB-CG1 3.84Å; D59-V68 PolarHBondContact N-O 2.82Å; D59-V68 PolarHBondContact O-N 2.98Å; V68-Y77 WeakPolarHBondContact CA-O 3.36Å; V68-V78 HydrophobicContact CG2-CG2 4.16Å; V68-V102 HydrophobicContact CB-CG2 4.29Å; V68-V102 HydrophobicContact CG1-CB 4.41Å; V68-V102 HydrophobicContact CG1-CG1 4.02Å; V68-V102 HydrophobicContact CG1-CG2 3.49Å; V68-V102 VanDerWaalsContact CG1-CG2 3.49Å; V68-V102 HydrophobicContact CG2-CG2 3.78Å; V68-W104 HydrophobicContact CB-CZ2 3.96Å; V68-W104 HydrophobicContact CG1-CD2 4.4Å; V68-W104 HydrophobicContact CG1-CG 4.23Å; V68-W104 HydrophobicContact CG1-CZ2 4.48Å; V68-W104 VanDerWaalsContact CG1-NE1 3.28Å; V68-F111 HydrophobicContact CG2-CD1 4.38Å; V68-F111 HydrophobicContact CG2-CD2 3.95Å; V68-F111 HydrophobicContact CG2-CE1 4.24Å; V68-F111 HydrophobicContact CG2-CE2 3.81Å; V68-F111 HydrophobicContact CG2-CG 4.22Å; V68-F111 HydrophobicContact CG2-CZ 3.94Å
69T98.9Very high98.5Very high0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-124.6148.2175.461.80000109.9V32 H51 G57 I58 I67 A76 Y77 W79V32-T69 HydrophobicContact CG2-CG2 3.9Å; H51-T69 PolarHBondContact CD2-OG1 2.77Å; H51-T69 WeakPolarHBondContact NE2-CB 3.41Å; H51-T69 PolarHBondContact NE2-OG1 2.92Å; G57-T69 WeakPolarHBondContact O-CA 3.43Å; I58-T69 HydrophobicContact CG1-CG2 4.22Å; I58-T69 HydrophobicContact CG2-CG2 4.49Å; I67-T69 HydrophobicContact CG2-CG2 3.95Å; T69-A76 CarbonylContact O-C 3.47Å; T69-A76 WeakPolarHBondContact O-CA 3.19Å; T69-A76 VanDerWaalsContact O-CB 3.31Å; T69-A76 WeakPolarHBondContact O-CB 3.34Å; T69-Y77 PolarHBondContact N-O 3.1Å; T69-Y77 PolarHBondContact O-N 2.89Å; T69-W79 PolarHBondContact OG1-NE1 2.77Å
70C98.8Very high98.5Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-136.4149.5170.373.30000110.9T56 G57 N75 A76 A99 V102 V113T56-C70 PolarHBondContact N-O 2.85Å; T56-C70 PolarHBondContact OG1-O 2.94Å; G57-C70 PolarHBondContact N-O 2.74Å; G57-C70 PolarHBondContact O-N 2.88Å; C70-N75 WeakPolarHBondContact CA-O 3.36Å; C70-A76 HydrophobicContact CB-CB 4.33Å; C70-A99 HydrophobicContact CB-CB 3.64Å; C70-V102 HydrophobicContact CB-CB 4.24Å; C70-V102 HydrophobicContact CB-CG1 4.33Å; C70-V113 HydrophobicContact CB-CG1 4.09Å
71G98.3Very high98.4Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-141.9174.3-17200000116.3Q54 D73 R74 N75 A99Q54-G71 CarbonylContact O-C 3.6Å; Q54-G71 VanDerWaalsContact O-CA 3.22Å; Q54-G71 WeakPolarHBondContact O-CA 3.29Å; G71-D73 PolarHBondContact O-N 2.81Å; G71-R74 PolarHBondContact O-N 3.05Å; G71-R74 VanDerWaalsContact O-N 3.14Å; G71-N75 PolarHBondContact N-O 2.96Å; G71-A99 PolarHBondContact O-N 2.86Å; G71-A99 VanDerWaalsContact O-N 3.1Å
72A98.4Very high98.3Very high46 Ų4640 Ų4038%0.3821%0.207SC..THydrogen-bonded Turntrans-65.5-19.9175.500000113.2Q54 R74 A98Q54-A72 PolarHBondContact O-N 2.68Å; A72-R74 PolarHBondContact O-N 2.84Å; A72-A98 HydrophobicContact CB-CB 4.3Å
73D98.1Very high98.2Very high21 Ų2147.3 Ų47.311%0.11224%0.236CC..THydrogen-bonded Turntrans-69.2-3.5172.364.1-2.4000114.1H51 N52 G71 N75H51-D73 VanDerWaalsContact CA-OD2 3.25Å; H51-D73 WeakPolarHBondContact CA-OD2 3.33Å; H51-D73 WeakPolarHBondContact CB-OD2 3.47Å; H51-D73 IonicContact CE1-OD1 3.64Å; H51-D73 IonicContact CG-OD2 3.08Å; H51-D73 VanDerWaalsContact ND1-CG 3.34Å; H51-D73 IonicContact ND1-OD1 3.73Å; H51-D73 PolarHBondContact ND1-OD1 2.76Å; H51-D73 VanDerWaalsContact ND1-OD1 3.11Å; H51-D73 IonicContact ND1-OD2 3.87Å; H51-D73 PolarHBondContact ND1-OD2 2.81Å; N52-D73 HydrophobicContact CB-CB 4.33Å; N52-D73 PolarHBondContact N-OD2 3.01Å; G71-D73 PolarHBondContact O-N 2.81Å; D73-N75 VanDerWaalsContact C-N 3.26Å; D73-N75 PolarHBondContact OD1-N 3.44Å; D73-N75 VanDerWaalsContact OD1-N 3.08Å
74R98.4Very high98Very high133 Ų13344.6 Ų44.650%0.50223%0.234SC..SBendtrans76.68.7177.9-44.8171-71.3-170.80.1113.9G71 A72 I95 R97G71-R74 PolarHBondContact O-N 3.05Å; G71-R74 VanDerWaalsContact O-N 3.14Å; A72-R74 PolarHBondContact O-N 2.84Å; R74-I95 HydrophobicContact CB-CD1 4.39Å; R74-I95 HydrophobicContact CB-CG1 4.09Å; R74-R97 WeakPolarHBondContact CG-O 2.76Å
75N98.1Very high97.9Very high48 Ų4844.6 Ų44.626%0.25724%0.235SC..  trans-99.8159.9179.5-65.3-26.4000110.9H51 C70 G71 D73 Y77 L90H51-N75 PolarHBondContact CE1-O 2.79Å; C70-N75 WeakPolarHBondContact CA-O 3.36Å; G71-N75 PolarHBondContact N-O 2.96Å; D73-N75 VanDerWaalsContact C-N 3.26Å; D73-N75 PolarHBondContact OD1-N 3.44Å; D73-N75 VanDerWaalsContact OD1-N 3.08Å; N75-Y77 HydrophobicContact CB-CE2 4.09Å; N75-L90 HydrophobicContact CB-CD1 4Å
76A98.8Very high97.9Very high0 Ų042.5 Ų42.50%022%0.222CC..EExtended strand (participates in β ladder)trans-125.7148.4158.600000109.3T69 C70 V91 L93T69-A76 CarbonylContact O-C 3.47Å; T69-A76 WeakPolarHBondContact O-CA 3.19Å; T69-A76 VanDerWaalsContact O-CB 3.31Å; T69-A76 WeakPolarHBondContact O-CB 3.34Å; C70-A76 HydrophobicContact CB-CB 4.33Å; A76-V91 HydrophobicContact CB-CB 4.3Å; A76-V91 PolarHBondContact O-N 2.88Å; A76-L93 HydrophobicContact CB-CD1 3.86Å; A76-L93 HydrophobicContact CB-CD2 3.91Å; A76-L93 HydrophobicContact CB-CG 4Å
77Y98.9Very high97.9Very high19 Ų1945.4 Ų45.48%0.07524%0.236CC..EExtended strand (participates in β ladder)trans-125136.5173.5-64.3-79.8000109.7E50 H51 V68 T69 N75 P88 T89 L90E50-Y77 HydrophobicContact CB-CD2 4.28Å; E50-Y77 HydrophobicContact CB-CE1 4.38Å; E50-Y77 HydrophobicContact CB-CE2 4.02Å; E50-Y77 HydrophobicContact CG-CD1 4.05Å; E50-Y77 HydrophobicContact CG-CD2 4.42Å; E50-Y77 HydrophobicContact CG-CE1 3.53Å; E50-Y77 HydrophobicContact CG-CE2 3.93Å; E50-Y77 HydrophobicContact CG-CG 4.48Å; E50-Y77 VanDerWaalsContact CG-CZ 3.45Å; E50-Y77 PolarHBondContact O-OH 3.01Å; H51-Y77 AromaticContact CD2-CD2 3.82Å; H51-Y77 AromaticContact CE1-CD2 3.5Å; H51-Y77 AromaticContact CE1-CE2 3.78Å; H51-Y77 AromaticContact CG-CE2 3.96Å; H51-Y77 AromaticContact ND1-CD2 3.86Å; H51-Y77 AromaticContact ND1-CE2 3.69Å; H51-Y77 AromaticContact NE2-CD2 3.49Å; H51-Y77 WeakPolarHBondContact NE2-CD2 3Å; V68-Y77 WeakPolarHBondContact CA-O 3.36Å; T69-Y77 PolarHBondContact N-O 3.1Å; T69-Y77 PolarHBondContact O-N 2.89Å; N75-Y77 HydrophobicContact CB-CE2 4.09Å; Y77-P88 HydrophobicContact CD1-CB 3.86Å; Y77-P88 HydrophobicContact CG-CB 4.2Å; Y77-T89 WeakPolarHBondContact CA-O 3.45Å; Y77-L90 HydrophobicContact CD1-CB 4.17Å; Y77-L90 HydrophobicContact CD1-CD1 4.18Å; Y77-L90 HydrophobicContact CE1-CB 3.89Å; Y77-L90 HydrophobicContact CE1-CD1 3.6Å; Y77-L90 HydrophobicContact CE1-CG 4.33Å
78V98.8Very high97.9Very high2 Ų247.5 Ų47.51%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-98.8118.7165.5175.80000107.7R66 I67 V68 P88 T89 V91 W104 F111 W132R66-V78 HydrophobicContact CB-CG1 4.3Å; R66-V78 HydrophobicContact CG-CG1 4.48Å; I67-V78 CarbonylContact O-C 3.58Å; I67-V78 WeakPolarHBondContact O-CA 3.37Å; V68-V78 HydrophobicContact CG2-CG2 4.16Å; V78-P88 CarbonylContact O-C 3.56Å; V78-T89 PolarHBondContact N-O 2.9Å; V78-T89 PolarHBondContact O-N 3.04Å; V78-V91 HydrophobicContact CG2-CG2 3.87Å; V78-W104 HydrophobicContact CG1-CH2 4.27Å; V78-W104 HydrophobicContact CG1-CZ2 4.07Å; V78-W104 HydrophobicContact CG2-CH2 4.25Å; V78-W104 HydrophobicContact CG2-CZ2 4.2Å; V78-F111 HydrophobicContact CG2-CD1 4.49Å; V78-F111 HydrophobicContact CG2-CE1 3.62Å; V78-F111 HydrophobicContact CG2-CZ 4.01Å; V78-W132 HydrophobicContact CB-CZ2 4.17Å; V78-W132 HydrophobicContact CG1-CZ2 3.94Å; V78-W132 HydrophobicContact CG2-CD2 4.35Å; V78-W132 HydrophobicContact CG2-CH2 4.3Å; V78-W132 HydrophobicContact CG2-CZ2 3.74Å
79W98.8Very high97.9Very high5 Ų550.6 Ų50.62%0.01927%0.269CS..EExtended strand (participates in β ladder)trans-98.6129.8-178.4-54.481.3000109.6L48 E50 R66 I67 T69 W86 K87 P88L48-W79 HydrophobicContact CB-CD2 4.31Å; L48-W79 HydrophobicContact CB-CE3 4.1Å; L48-W79 HydrophobicContact CB-CH2 3.62Å; L48-W79 HydrophobicContact CB-CZ2 3.87Å; L48-W79 HydrophobicContact CB-CZ3 3.75Å; L48-W79 HydrophobicContact CD2-CB 4.22Å; L48-W79 HydrophobicContact CD2-CD2 3.49Å; L48-W79 VanDerWaalsContact CD2-CD2 3.49Å; L48-W79 HydrophobicContact CD2-CE3 3.77Å; L48-W79 HydrophobicContact CD2-CG 3.69Å; L48-W79 HydrophobicContact CD2-CZ2 4.38Å; L48-W79 HydrophobicContact CD2-CZ3 4.3Å; L48-W79 HydrophobicContact CG-CD2 3.86Å; L48-W79 HydrophobicContact CG-CE3 3.6Å; L48-W79 HydrophobicContact CG-CH2 4.09Å; L48-W79 HydrophobicContact CG-CZ2 4.35Å; L48-W79 HydrophobicContact CG-CZ3 3.72Å; E50-W79 HydrophobicContact CB-CH2 3.51Å; E50-W79 HydrophobicContact CB-CZ2 3.87Å; R66-W79 WeakPolarHBondContact CA-O 3.49Å; I67-W79 HydrophobicContact CB-CB 4.15Å; I67-W79 PolarHBondContact N-O 3.37Å; I67-W79 VanDerWaalsContact N-O 3.13Å; I67-W79 PolarHBondContact O-N 3.15Å; T69-W79 PolarHBondContact OG1-NE1 2.77Å; W79-W86 HydrophobicContact CB-CE3 3.67Å; W79-W86 HydrophobicContact CB-CZ3 4.28Å; W79-W86 HydrophobicContact CE3-CB 4.15Å; W79-W86 WeakPolarHBondContact O-CZ3 3.37Å; W79-K87 WeakPolarHBondContact CA-O 3.45Å; W79-P88 HydrophobicContact CD2-CB 3.95Å; W79-P88 HydrophobicContact CE3-CB 3.66Å; W79-P88 HydrophobicContact CE3-CG 4.09Å; W79-P88 HydrophobicContact CH2-CB 3.82Å; W79-P88 HydrophobicContact CH2-CG 4.03Å; W79-P88 HydrophobicContact CZ2-CB 4.07Å; W79-P88 HydrophobicContact CZ3-CB 3.6Å; W79-P88 HydrophobicContact CZ3-CG 3.67Å
80T98.3Very high97.8Very high44 Ų4455 Ų5527%0.2729%0.291SS..EExtended strand (participates in β ladder)trans-118.7133.6174.3-550000109.3K82 K87T80-K82 HydrophobicContact CG2-CG 4.13Å; T80-K82 PolarHBondContact O-N 2.83Å; T80-K87 PolarHBondContact N-O 3.04Å; T80-K87 PolarHBondContact O-N 2.95Å
81L97.9Very high97.8Very high67 Ų6755 Ų5535%0.35129%0.291SS..EExtended strand (participates in β ladder)trans-79.1110.1175-175.861.5000109.8W86L81-W86 HydrophobicContact CB-CD2 4.11Å; L81-W86 HydrophobicContact CB-CE3 4.11Å; L81-W86 HydrophobicContact CB-CH2 4.13Å; L81-W86 HydrophobicContact CB-CZ2 4.09Å; L81-W86 HydrophobicContact CB-CZ3 4.13Å; L81-W86 HydrophobicContact CD1-CD2 4.25Å; L81-W86 HydrophobicContact CD1-CG 4.2Å; L81-W86 HydrophobicContact CD2-CZ2 4.38Å
82K95.9Very high97.8Very high132 Ų13260 Ų6057%0.57432%0.317SS*.EExtended strand (participates in β ladder)trans-123.6127.3175.5-64.4-172.9178.9-177.40108.9T80 G84 S85 K87T80-K82 HydrophobicContact CG2-CG 4.13Å; T80-K82 PolarHBondContact O-N 2.83Å; K82-G84 PolarHBondContact O-N 3.06Å; K82-G84 VanDerWaalsContact O-N 3.15Å; K82-S85 PolarHBondContact N-O 2.78Å; K82-S85 PolarHBondContact O-N 2.84Å; K82-K87 HydrophobicContact CB-CG 4.45Å
83E94.4Very high97.8Very high208 Ų20858 Ų5897%0.97230%0.3SS*.THydrogen-bonded Turntrans5338.2176.5-58.1174.6177.700113.4S85E83-S85 VanDerWaalsContact C-N 3.27Å; E83-S85 PolarHBondContact O-N 2.86Å
84G94.3Very high97.8Very high53 Ų5364 Ų6455%0.54632%0.321SS..THydrogen-bonded Turntrans77.34.5-179.600000115.3H46 K82H46-G84 PolarHBondContact CE1-O 3.04Å; H46-G84 VanDerWaalsContact CE1-O 3.23Å; K82-G84 PolarHBondContact O-N 3.06Å; K82-G84 VanDerWaalsContact O-N 3.15Å
85S96.7Very high97.8Very high50 Ų5058.7 Ų58.735%0.3530%0.302SS..EExtended strand (participates in β ladder)trans-121.7136.5177.3-176.90000111.6K82 E83 K87K82-S85 PolarHBondContact N-O 2.78Å; K82-S85 PolarHBondContact O-N 2.84Å; E83-S85 VanDerWaalsContact C-N 3.27Å; E83-S85 PolarHBondContact O-N 2.86Å; S85-K87 PolarHBondContact O-N 2.74Å
86W98.4Very high97.7Very high15 Ų1561 Ų616%0.05732%0.315CS..EExtended strand (participates in β ladder)trans-78.2120.2173.6-71.692.7000110.1I34 H46 L48 W60 N65 I67 W79 L81I34-W86 HydrophobicContact CD1-CD2 4.42Å; I34-W86 HydrophobicContact CD1-CG 4.46Å; I34-W86 HydrophobicContact CD1-CZ2 4.24Å; H46-W86 AromaticContact CD2-CD1 3.78Å; H46-W86 AromaticContact CD2-NE1 3.51Å; H46-W86 AromaticContact CG-CD1 3.65Å; H46-W86 AromaticContact CG-NE1 3.88Å; H46-W86 AromaticContact NE2-NE1 3.91Å; L48-W86 HydrophobicContact CD1-CB 3.89Å; L48-W86 HydrophobicContact CD1-CG 3.92Å; L48-W86 HydrophobicContact CD2-CB 4.42Å; L48-W86 HydrophobicContact CG-CB 4.01Å; L48-W86 HydrophobicContact CG-CG 4.41Å; W60-W86 AromaticContact CE2-CH2 3.99Å; W60-W86 HydrophobicContact CH2-CZ2 4.19Å; W60-W86 AromaticContact CZ2-CH2 3.77Å; W60-W86 HydrophobicContact CZ2-CH2 3.77Å; W60-W86 AromaticContact CZ2-CZ2 3.55Å; W60-W86 HydrophobicContact CZ2-CZ2 3.55Å; W60-W86 AromaticContact NE1-CH2 3.94Å; N65-W86 VanDerWaalsContact O-CH2 3.25Å; N65-W86 WeakPolarHBondContact O-CH2 3.36Å; N65-W86 WeakPolarHBondContact O-CZ3 3.23Å; I67-W86 HydrophobicContact CB-CZ3 4.3Å; I67-W86 HydrophobicContact CD1-CD2 4.31Å; I67-W86 HydrophobicContact CD1-CE3 4.19Å; I67-W86 HydrophobicContact CD1-CH2 3.63Å; I67-W86 HydrophobicContact CD1-CZ2 3.78Å; I67-W86 HydrophobicContact CD1-CZ3 3.86Å; I67-W86 HydrophobicContact CG1-CH2 3.78Å; I67-W86 HydrophobicContact CG1-CZ2 4.42Å; I67-W86 HydrophobicContact CG1-CZ3 3.84Å; W79-W86 HydrophobicContact CB-CE3 3.67Å; W79-W86 HydrophobicContact CB-CZ3 4.28Å; W79-W86 HydrophobicContact CE3-CB 4.15Å; W79-W86 WeakPolarHBondContact O-CZ3 3.37Å; L81-W86 HydrophobicContact CB-CD2 4.11Å; L81-W86 HydrophobicContact CB-CE3 4.11Å; L81-W86 HydrophobicContact CB-CH2 4.13Å; L81-W86 HydrophobicContact CB-CZ2 4.09Å; L81-W86 HydrophobicContact CB-CZ3 4.13Å; L81-W86 HydrophobicContact CD1-CD2 4.25Å; L81-W86 HydrophobicContact CD1-CG 4.2Å; L81-W86 HydrophobicContact CD2-CZ2 4.38Å
87K98.3Very high97.7Very high111 Ų11167.9 Ų67.948%0.48334%0.341SS..EExtended strand (participates in β ladder)trans-106.5122.6178.6-60-58.9-175.6-174.60110.1W79 T80 K82 S85W79-K87 WeakPolarHBondContact CA-O 3.45Å; T80-K87 PolarHBondContact N-O 3.04Å; T80-K87 PolarHBondContact O-N 2.95Å; K82-K87 HydrophobicContact CB-CG 4.45Å; S85-K87 PolarHBondContact O-N 2.74Å
88P98.4Very high97.7Very high43 Ų4368.5 Ų68.528%0.27935%0.35SS..EExtended strand (participates in β ladder)trans-77.2146.717729.2-29.7000111.1E50 Y77 V78 W79E50-P88 HydrophobicContact CB-CB 4.29Å; E50-P88 HydrophobicContact CB-CG 4.14Å; E50-P88 HydrophobicContact CG-CB 4.1Å; E50-P88 HydrophobicContact CG-CG 3.82Å; Y77-P88 HydrophobicContact CD1-CB 3.86Å; Y77-P88 HydrophobicContact CG-CB 4.2Å; V78-P88 CarbonylContact O-C 3.56Å; W79-P88 HydrophobicContact CD2-CB 3.95Å; W79-P88 HydrophobicContact CE3-CB 3.66Å; W79-P88 HydrophobicContact CE3-CG 4.09Å; W79-P88 HydrophobicContact CH2-CB 3.82Å; W79-P88 HydrophobicContact CH2-CG 4.03Å; W79-P88 HydrophobicContact CZ2-CB 4.07Å; W79-P88 HydrophobicContact CZ3-CB 3.6Å; W79-P88 HydrophobicContact CZ3-CG 3.67Å
89T98.3Very high97.7Very high66 Ų6668.4 Ų68.441%0.40535%0.349SS..EExtended strand (participates in β ladder)trans-123.2120.9165-58.40000107.6Y77 V78Y77-T89 WeakPolarHBondContact CA-O 3.45Å; V78-T89 PolarHBondContact N-O 2.9Å; V78-T89 PolarHBondContact O-N 3.04Å
90L98.2Very high97.7Very high91 Ų9172.9 Ų72.948%0.47637%0.366SS..EExtended strand (participates in β ladder)trans-66.5134-179.1177.764.1000110.7N75 Y77N75-L90 HydrophobicContact CB-CD1 4Å; Y77-L90 HydrophobicContact CD1-CB 4.17Å; Y77-L90 HydrophobicContact CD1-CD1 4.18Å; Y77-L90 HydrophobicContact CE1-CB 3.89Å; Y77-L90 HydrophobicContact CE1-CD1 3.6Å; Y77-L90 HydrophobicContact CE1-CG 4.33Å
91V98.5Very high97.7Very high0 Ų071.5 Ų71.50%036%0.358CS..EExtended strand (participates in β ladder)trans-113.3118.2171.7-177.40000109.8A76 V78 L93 F111 C123 W132A76-V91 HydrophobicContact CB-CB 4.3Å; A76-V91 PolarHBondContact O-N 2.88Å; V78-V91 HydrophobicContact CG2-CG2 3.87Å; V91-L93 HydrophobicContact CG1-CD2 4.23Å; V91-L93 PolarHBondContact O-N 2.85Å; V91-L93 VanDerWaalsContact O-N 3.09Å; V91-F111 HydrophobicContact CB-CZ 4.22Å; V91-F111 HydrophobicContact CG1-CZ 3.92Å; V91-F111 HydrophobicContact CG2-CZ 3.97Å; V91-C123 HydrophobicContact CG1-CB 4.16Å; V91-W132 HydrophobicContact CB-CB 4.19Å; V91-W132 HydrophobicContact CB-CG 4.46Å; V91-W132 HydrophobicContact CG1-CB 3.74Å; V91-W132 HydrophobicContact CG1-CG 4.34Å; V91-W132 HydrophobicContact CG2-CB 3.74Å; V91-W132 HydrophobicContact CG2-CD2 3.99Å; V91-W132 HydrophobicContact CG2-CG 3.51Å
92I97.6Very high97.8Very high106 Ų10668.5 Ų68.554%0.54434%0.342SS..  trans-79.197.5-179.4-55.9174.3000109.1R94 C134I92-R94 VanDerWaalsContact C-N 3.25Å; I92-R94 HydrophobicContact CG2-CG 3.94Å; I92-R94 PolarHBondContact O-N 2.85Å; I92-C134 PolarHBondContact O-SG 3.18Å
93L98.1Very high97.9Very high3 Ų364.6 Ų64.62%0.01633%0.326CS..  trans-71.7-16.5-179-62.6-178.9000114A76 V91 I95 A99 V113 S121 H136A76-L93 HydrophobicContact CB-CD1 3.86Å; A76-L93 HydrophobicContact CB-CD2 3.91Å; A76-L93 HydrophobicContact CB-CG 4Å; V91-L93 HydrophobicContact CG1-CD2 4.23Å; V91-L93 PolarHBondContact O-N 2.85Å; V91-L93 VanDerWaalsContact O-N 3.09Å; L93-I95 HydrophobicContact CB-CD1 4.05Å; L93-I95 HydrophobicContact CB-CG1 3.9Å; L93-I95 HydrophobicContact CB-CG2 4.22Å; L93-I95 HydrophobicContact CD1-CD1 3.68Å; L93-I95 HydrophobicContact CD1-CG1 4.38Å; L93-I95 PolarHBondContact O-N 3.47Å; L93-A99 HydrophobicContact CD1-CB 4.26Å; L93-V113 HydrophobicContact CD1-CB 4.4Å; L93-V113 HydrophobicContact CD1-CG1 3.88Å; L93-V113 HydrophobicContact CD1-CG2 4.42Å; L93-V113 HydrophobicContact CD2-CB 4.23Å; L93-V113 HydrophobicContact CD2-CG2 3.85Å; L93-S121 PolarHBondContact O-OG 3.48Å; L93-H136 PolarHBondContact O-NE2 2.9Å
94R98.1Very high98.1Very high148 Ų14855.4 Ų55.456%0.55828%0.282SS*.  trans54.538.2-175.1-56.3-178.1-64.3119.90.7112.9I92 C134 H136I92-R94 VanDerWaalsContact C-N 3.25Å; I92-R94 HydrophobicContact CG2-CG 3.94Å; I92-R94 PolarHBondContact O-N 2.85Å; R94-C134 PolarHBondContact NE-SG 2.88Å; R94-C134 PolarHBondContact NH2-O 2.94Å; R94-H136 PolarHBondContact O-CE1 2.7Å
95I98.3Very high98.3Very high21 Ų2153 Ų5311%0.10826%0.257CS..  trans-108.2157175.964.2-179.4000111.3R74 L93 R97 A99 L119R74-I95 HydrophobicContact CB-CD1 4.39Å; R74-I95 HydrophobicContact CB-CG1 4.09Å; L93-I95 HydrophobicContact CB-CD1 4.05Å; L93-I95 HydrophobicContact CB-CG1 3.9Å; L93-I95 HydrophobicContact CB-CG2 4.22Å; L93-I95 HydrophobicContact CD1-CD1 3.68Å; L93-I95 HydrophobicContact CD1-CG1 4.38Å; L93-I95 PolarHBondContact O-N 3.47Å; I95-R97 WeakPolarHBondContact CD1-O 3.48Å; I95-A99 HydrophobicContact CD1-CB 4.09Å; I95-L119 HydrophobicContact CG2-CD1 3.7Å; I95-L119 HydrophobicContact CG2-CD2 4.45Å; I95-L119 HydrophobicContact CG2-CG 4.33Å
96N97.6Very high98.4Very high98 Ų9853.6 Ų53.652%0.52426%0.26SS..SBendtrans-118.610.5-177.270.1-8.9000113.7S117N96-S117 PolarHBondContact N-OG 3.29Å; N96-S117 VanDerWaalsContact N-OG 3.08Å; N96-S117 PolarHBondContact OD1-OG 3.2Å
97R98.5Very high98.4Very high144 Ų14459.6 Ų59.654%0.54329%0.286SS..SBendtrans-142167175.4-63.5-67.2-174.5-831.6109R74 I95 S117R74-R97 WeakPolarHBondContact CG-O 2.76Å; I95-R97 WeakPolarHBondContact CD1-O 3.48Å; R97-S117 WeakPolarHBondContact CB-OG 3.26Å; R97-S117 PolarHBondContact N-OG 3.34Å
98A98.4Very high98.4Very high32 Ų3254.8 Ų54.826%0.26427%0.266SS..  trans-49.4139-17900000113.1A72 S116A72-A98 HydrophobicContact CB-CB 4.3Å; A98-S116 PolarHBondContact O-N 3.18Å
99A98.8Very high98.4Very high0 Ų054.5 Ų54.50%026%0.262CS..EExtended strand (participates in β ladder)trans-74.8145.5161.100000108.8T56 C70 G71 L93 I95 V113T56-A99 PolarHBondContact OG1-O 3.38Å; C70-A99 HydrophobicContact CB-CB 3.64Å; G71-A99 PolarHBondContact O-N 2.86Å; G71-A99 VanDerWaalsContact O-N 3.1Å; L93-A99 HydrophobicContact CD1-CB 4.26Å; I95-A99 HydrophobicContact CD1-CB 4.09Å; A99-V113 HydrophobicContact CB-CG1 3.69Å
100R98.6Very high98.4Very high99 Ų9951.4 Ų51.437%0.37424%0.242SC..EExtended strand (participates in β ladder)trans-120.9-35.1-172.3-179.959.9-165.396.4-6.3113.9T56 G114 T144 I145 L146T56-R100 CarbonylContact C-O 3.59Å; T56-R100 PolarHBondContact O-NH1 3.2Å; T56-R100 VanDerWaalsContact O-O 3.1Å; T56-R100 WeakPolarHBondContact OG1-CA 3.26Å; T56-R100 PolarHBondContact OG1-O 3.15Å; R100-G114 PolarHBondContact N-O 2.99Å; R100-T144 HydrophobicContact CG-CG2 4.49Å; R100-I145 WeakPolarHBondContact CB-O 3.22Å; R100-I145 WeakPolarHBondContact CG-O 3.49Å; R100-L146 HydrophobicContact CG-CD2 4.27Å
101C98.7Very high98.4Very high15 Ų1547 Ų4710%0.10122%0.22CC..EExtended strand (participates in β ladder)trans-150.8152.4179.653.20000109.7V113 G114C101-V113 CarbonylContact O-C 3.57Å; C101-V113 WeakPolarHBondContact O-CA 3.36Å; C101-G114 PolarHBondContact N-O 3.07Å; C101-G114 PolarHBondContact O-N 3.44Å
102V98.9Very high98.5Very high3 Ų347 Ų472%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-140.7142.2176.662.80000110.8V68 C70 F111 A112 V113V68-V102 HydrophobicContact CB-CG2 4.29Å; V68-V102 HydrophobicContact CG1-CB 4.41Å; V68-V102 HydrophobicContact CG1-CG1 4.02Å; V68-V102 HydrophobicContact CG1-CG2 3.49Å; V68-V102 VanDerWaalsContact CG1-CG2 3.49Å; V68-V102 HydrophobicContact CG2-CG2 3.78Å; C70-V102 HydrophobicContact CB-CB 4.24Å; C70-V102 HydrophobicContact CB-CG1 4.33Å; V102-F111 HydrophobicContact CG2-CD2 3.82Å; V102-F111 HydrophobicContact CG2-CE2 4.45Å; V102-A112 CarbonylContact C-O 3.47Å; V102-A112 VanDerWaalsContact CA-O 3.24Å; V102-A112 WeakPolarHBondContact CA-O 3.22Å; V102-A112 WeakPolarHBondContact CG2-O 3.26Å; V102-V113 HydrophobicContact CB-CG2 4.21Å; V102-V113 HydrophobicContact CG2-CG2 3.77Å
103K98.9Very high98.5Very high51 Ų5142 Ų4222%0.22219%0.194CC..EExtended strand (participates in β ladder)trans-142.8128.6173.2-70.2-62.2173.7-167.40112.7D59 F111 A112 L148 W150D59-K103 HydrophobicContact CB-CD 4.35Å; D59-K103 IonicContact OD1-NZ 2.77Å; D59-K103 PolarHBondContact OD1-NZ 2.89Å; D59-K103 WeakPolarHBondContact OD2-CA 3.18Å; D59-K103 WeakPolarHBondContact OD2-CD 3.45Å; K103-F111 CarbonylContact O-C 3.58Å; K103-F111 VanDerWaalsContact O-CA 3.24Å; K103-F111 WeakPolarHBondContact O-CA 3.15Å; K103-F111 WeakPolarHBondContact O-CB 3.46Å; K103-A112 PolarHBondContact N-O 3.04Å; K103-A112 PolarHBondContact O-N 3.23Å; K103-L148 HydrophobicContact CG-CB 4.34Å; K103-L148 WeakPolarHBondContact CG-O 3.01Å; K103-W150 PolarHBondContact O-NE1 2.89Å
104W98.9Very high98.6Very high14 Ų1441.9 Ų41.95%0.05319%0.193CC..EExtended strand (participates in β ladder)trans-63142.8164.6-79110000110.1D59 A61 R66 V68 V78 F111 W132 W150D59-W104 PolarHBondContact OD2-N 3.22Å; A61-W104 HydrophobicContact CB-CD2 4Å; A61-W104 HydrophobicContact CB-CG 3.91Å; R66-W104 HydrophobicContact CB-CZ2 4.05Å; R66-W104 PolarHBondContact O-NE1 2.77Å; V68-W104 HydrophobicContact CB-CZ2 3.96Å; V68-W104 HydrophobicContact CG1-CD2 4.4Å; V68-W104 HydrophobicContact CG1-CG 4.23Å; V68-W104 HydrophobicContact CG1-CZ2 4.48Å; V68-W104 VanDerWaalsContact CG1-NE1 3.28Å; V78-W104 HydrophobicContact CG1-CH2 4.27Å; V78-W104 HydrophobicContact CG1-CZ2 4.07Å; V78-W104 HydrophobicContact CG2-CH2 4.25Å; V78-W104 HydrophobicContact CG2-CZ2 4.2Å; W104-F111 HydrophobicContact CD2-CB 4.09Å; W104-F111 HydrophobicContact CE3-CB 3.86Å; W104-F111 HydrophobicContact CE3-CD1 4.09Å; W104-F111 HydrophobicContact CE3-CG 4.45Å; W104-F111 AromaticContact CH2-CD1 3.74Å; W104-F111 HydrophobicContact CH2-CD1 3.74Å; W104-F111 HydrophobicContact CH2-CE1 4.24Å; W104-F111 HydrophobicContact CZ2-CD1 4.27Å; W104-F111 HydrophobicContact CZ3-CB 4.29Å; W104-F111 AromaticContact CZ3-CD1 3.65Å; W104-F111 HydrophobicContact CZ3-CD1 3.65Å; W104-F111 HydrophobicContact CZ3-CG 4.44Å; W104-W132 AromaticContact CH2-CH2 3.51Å; W104-W132 HydrophobicContact CH2-CH2 3.51Å; W104-W132 HydrophobicContact CH2-CZ2 4.06Å; W104-W132 HydrophobicContact CH2-CZ3 4.35Å; W104-W132 AromaticContact CZ3-CH2 3.82Å; W104-W132 HydrophobicContact CZ3-CH2 3.82Å; W104-W132 HydrophobicContact CZ3-CZ3 4.41Å; W104-W150 PolarHBondContact O-NE1 3.28Å
105S98.8Very high98.6Very high2 Ų234.8 Ų34.81%0.01417%0.166CC..  trans-72154.6169.877.60000110.3K107 E108 N109 K110 N154S105-K107 PolarHBondContact O-N 2.83Å; S105-K107 VanDerWaalsContact O-N 3.14Å; S105-E108 WeakPolarHBondContact O-CA 3.41Å; S105-E108 PolarHBondContact O-N 3.46Å; S105-N109 PolarHBondContact OG-OD1 2.96Å; S105-K110 VanDerWaalsContact CB-O 3.29Å; S105-K110 WeakPolarHBondContact CB-O 2.95Å; S105-K110 PolarHBondContact N-O 3.46Å; S105-K110 WeakPolarHBondContact OG-CG 3.5Å; S105-K110 PolarHBondContact OG-N 2.98Å; S105-K110 PolarHBondContact OG-O 3.21Å; S105-K110 VanDerWaalsContact OG-O 3.05Å; S105-N154 WeakPolarHBondContact CB-OD1 3.22Å; S105-N154 PolarHBondContact OG-OD1 3.01Å
106P98.3Very high98.6Very high64 Ų6435.7 Ų35.742%0.41618%0.175SC..THydrogen-bonded Turntrans-53.7-33.2-179.2-30.334.2000115.5W150 N154P106-W150 HydrophobicContact CG-CB 4.08Å; P106-N154 WeakPolarHBondContact CD-OD1 3.31Å
107K98.3Very high98.6Very high140 Ų14032.1 Ų32.161%0.60916%0.157SC*.THydrogen-bonded Turntrans-88.50.5176.1-64-174.9174.1-174.80113.7S105 N109 N154S105-K107 PolarHBondContact O-N 2.83Å; S105-K107 VanDerWaalsContact O-N 3.14Å; K107-N109 PolarHBondContact O-N 2.82Å; K107-N154 HydrophobicContact CB-CB 4.46Å; K107-N154 WeakPolarHBondContact CB-OD1 3.13Å; K107-N154 HydrophobicContact CD-CB 4.05Å; K107-N154 HydrophobicContact CG-CB 3.96Å; K107-N154 PolarHBondContact N-OD1 3.04Å
108E98.5Very high98.6Very high11 Ų1132.5 Ų32.55%0.05116%0.158CC..SBendtrans5814.3177.5-49.7-178.5-176.200115.5A61 P62 D63 S64 R66 S105A61-E108 HydrophobicContact CB-CB 4.37Å; A61-E108 HydrophobicContact CB-CG 3.98Å; A61-E108 WeakPolarHBondContact CB-OE2 3.14Å; P62-E108 WeakPolarHBondContact CD-OE1 3.48Å; P62-E108 VanDerWaalsContact CG-OE1 3.23Å; P62-E108 WeakPolarHBondContact CG-OE1 3.41Å; D63-E108 WeakPolarHBondContact CB-OE1 3.42Å; D63-E108 PolarHBondContact N-OE1 2.87Å; S64-E108 WeakPolarHBondContact CA-OE2 3.4Å; S64-E108 WeakPolarHBondContact CB-OE2 3.48Å; S64-E108 PolarHBondContact N-OE2 3.28Å; S64-E108 PolarHBondContact OG-OE2 2.65Å; R66-E108 PolarHBondContact NH2-O 3.5Å; S105-E108 WeakPolarHBondContact O-CA 3.41Å; S105-E108 PolarHBondContact O-N 3.46Å
109N98Very high98.6Very high37 Ų3731.5 Ų31.520%0.19815%0.149CC..SBendtrans-85.4-12.917863.4-25000112.5S105 K107 N154 V176 E177S105-N109 PolarHBondContact OG-OD1 2.96Å; K107-N109 PolarHBondContact O-N 2.82Å; N109-N154 PolarHBondContact OD1-ND2 2.84Å; N109-V176 PolarHBondContact ND2-O 3.4Å; N109-E177 PolarHBondContact ND2-OE1 2.8Å
110K98.6Very high98.7Very high0 Ų031.5 Ų31.50%015%0.149CC..EExtended strand (participates in β ladder)trans-154.3167.117761.1-169-178.2-173.30111.2S105 I122 C123 W150 N154 A171 I173 E177S105-K110 VanDerWaalsContact CB-O 3.29Å; S105-K110 WeakPolarHBondContact CB-O 2.95Å; S105-K110 PolarHBondContact N-O 3.46Å; S105-K110 WeakPolarHBondContact OG-CG 3.5Å; S105-K110 PolarHBondContact OG-N 2.98Å; S105-K110 PolarHBondContact OG-O 3.21Å; S105-K110 VanDerWaalsContact OG-O 3.05Å; K110-I122 HydrophobicContact CD-CG2 4.24Å; K110-C123 CarbonylContact C-O 3.57Å; K110-C123 WeakPolarHBondContact CA-O 3.11Å; K110-C123 WeakPolarHBondContact CB-O 3.49Å; K110-W150 HydrophobicContact CD-CH2 4.07Å; K110-W150 HydrophobicContact CG-CH2 4.15Å; K110-W150 HydrophobicContact CG-CZ2 4.38Å; K110-N154 WeakPolarHBondContact CE-O 3.47Å; K110-N154 PolarHBondContact NZ-O 2.9Å; K110-A171 PolarHBondContact NZ-O 3.22Å; K110-I173 HydrophobicContact CD-CG1 4.02Å; K110-E177 WeakPolarHBondContact CE-OE1 3.39Å; K110-E177 IonicContact NZ-OE1 2.7Å; K110-E177 PolarHBondContact NZ-OE1 3.47Å; K110-E177 IonicContact NZ-OE2 3.54Å; K110-E177 PolarHBondContact NZ-OE2 3.36Å
111F98.9Very high98.7Very high0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans-141.9156171.663.1-94.3000110.9V68 V78 V91 V102 K103 W104 V113 I122 C123 W132V68-F111 HydrophobicContact CG2-CD1 4.38Å; V68-F111 HydrophobicContact CG2-CD2 3.95Å; V68-F111 HydrophobicContact CG2-CE1 4.24Å; V68-F111 HydrophobicContact CG2-CE2 3.81Å; V68-F111 HydrophobicContact CG2-CG 4.22Å; V68-F111 HydrophobicContact CG2-CZ 3.94Å; V78-F111 HydrophobicContact CG2-CD1 4.49Å; V78-F111 HydrophobicContact CG2-CE1 3.62Å; V78-F111 HydrophobicContact CG2-CZ 4.01Å; V91-F111 HydrophobicContact CB-CZ 4.22Å; V91-F111 HydrophobicContact CG1-CZ 3.92Å; V91-F111 HydrophobicContact CG2-CZ 3.97Å; V102-F111 HydrophobicContact CG2-CD2 3.82Å; V102-F111 HydrophobicContact CG2-CE2 4.45Å; K103-F111 CarbonylContact O-C 3.58Å; K103-F111 VanDerWaalsContact O-CA 3.24Å; K103-F111 WeakPolarHBondContact O-CA 3.15Å; K103-F111 WeakPolarHBondContact O-CB 3.46Å; W104-F111 HydrophobicContact CD2-CB 4.09Å; W104-F111 HydrophobicContact CE3-CB 3.86Å; W104-F111 HydrophobicContact CE3-CD1 4.09Å; W104-F111 HydrophobicContact CE3-CG 4.45Å; W104-F111 AromaticContact CH2-CD1 3.74Å; W104-F111 HydrophobicContact CH2-CD1 3.74Å; W104-F111 HydrophobicContact CH2-CE1 4.24Å; W104-F111 HydrophobicContact CZ2-CD1 4.27Å; W104-F111 HydrophobicContact CZ3-CB 4.29Å; W104-F111 AromaticContact CZ3-CD1 3.65Å; W104-F111 HydrophobicContact CZ3-CD1 3.65Å; W104-F111 HydrophobicContact CZ3-CG 4.44Å; F111-V113 HydrophobicContact CD2-CG2 3.81Å; F111-V113 HydrophobicContact CE2-CG2 3.7Å; F111-I122 WeakPolarHBondContact O-CA 3.31Å; F111-C123 HydrophobicContact CD1-CB 4.12Å; F111-C123 HydrophobicContact CD2-CB 3.98Å; F111-C123 HydrophobicContact CE1-CB 3.7Å; F111-C123 HydrophobicContact CE2-CB 3.53Å; F111-C123 HydrophobicContact CG-CB 4.27Å; F111-C123 HydrophobicContact CZ-CB 3.4Å; F111-C123 PolarHBondContact N-O 2.87Å; F111-C123 PolarHBondContact O-N 2.85Å; F111-W132 HydrophobicContact CD1-CE3 4.3Å; F111-W132 HydrophobicContact CD1-CH2 4.14Å; F111-W132 AromaticContact CD1-CZ3 3.7Å; F111-W132 HydrophobicContact CD1-CZ3 3.7Å; F111-W132 HydrophobicContact CE1-CD2 4.17Å; F111-W132 AromaticContact CE1-CE3 3.53Å; F111-W132 HydrophobicContact CE1-CE3 3.53Å; F111-W132 AromaticContact CE1-CH2 3.87Å; F111-W132 HydrophobicContact CE1-CH2 3.87Å; F111-W132 HydrophobicContact CE1-CZ2 4.45Å; F111-W132 AromaticContact CE1-CZ3 3.35Å; F111-W132 HydrophobicContact CE1-CZ3 3.35Å; F111-W132 HydrophobicContact CZ-CE3 4.32Å
112A98.9Very high98.7Very high0 Ų026.1 Ų26.10%013%0.126CC..EExtended strand (participates in β ladder)trans-111.9136.3179.200000110.5V102 K103 I120 S121 I122 L148 W150 L157V102-A112 CarbonylContact C-O 3.47Å; V102-A112 VanDerWaalsContact CA-O 3.24Å; V102-A112 WeakPolarHBondContact CA-O 3.22Å; V102-A112 WeakPolarHBondContact CG2-O 3.26Å; K103-A112 PolarHBondContact N-O 3.04Å; K103-A112 PolarHBondContact O-N 3.23Å; A112-I120 HydrophobicContact CB-CG2 4.02Å; A112-S121 CarbonylContact C-O 3.57Å; A112-S121 WeakPolarHBondContact CA-O 3.37Å; A112-I122 HydrophobicContact CB-CD1 3.59Å; A112-L148 HydrophobicContact CB-CD1 3.8Å; A112-W150 HydrophobicContact CB-CZ2 3.63Å; A112-L157 HydrophobicContact CB-CD1 4.12Å; A112-L157 HydrophobicContact CB-CD2 3.57Å
113V98.9Very high98.7Very high0 Ų026 Ų260%013%0.125CC..EExtended strand (participates in β ladder)trans-119.7117.8174.5-176.30000110.1C70 L93 A99 C101 V102 F111 I120 S121C70-V113 HydrophobicContact CB-CG1 4.09Å; L93-V113 HydrophobicContact CD1-CB 4.4Å; L93-V113 HydrophobicContact CD1-CG1 3.88Å; L93-V113 HydrophobicContact CD1-CG2 4.42Å; L93-V113 HydrophobicContact CD2-CB 4.23Å; L93-V113 HydrophobicContact CD2-CG2 3.85Å; A99-V113 HydrophobicContact CB-CG1 3.69Å; C101-V113 CarbonylContact O-C 3.57Å; C101-V113 WeakPolarHBondContact O-CA 3.36Å; V102-V113 HydrophobicContact CB-CG2 4.21Å; V102-V113 HydrophobicContact CG2-CG2 3.77Å; F111-V113 HydrophobicContact CD2-CG2 3.81Å; F111-V113 HydrophobicContact CE2-CG2 3.7Å; V113-I120 CarbonylContact O-C 3.56Å; V113-I120 WeakPolarHBondContact O-CA 3.37Å; V113-S121 PolarHBondContact N-O 3.26Å; V113-S121 PolarHBondContact O-N 3.18Å
114G98.9Very high98.6Very high0 Ų024 Ų240%012%0.116CC..EExtended strand (participates in β ladder)trans-83.9141.7171.700000110.5R100 C101 L148R100-G114 PolarHBondContact N-O 2.99Å; C101-G114 PolarHBondContact N-O 3.07Å; C101-G114 PolarHBondContact O-N 3.44Å; G114-L148 VanDerWaalsContact N-CD1 3.33Å
115S98.7Very high98.6Very high0 Ų026.2 Ų26.20%013%0.127CC..EExtended strand (participates in β ladder)trans-139.6159.3-173.571.30000113.8S117 R118 L119 I145S115-S117 PolarHBondContact O-N 3.29Å; S115-S117 WeakPolarHBondContact OG-CB 3.49Å; S115-S117 PolarHBondContact OG-N 2.71Å; S115-R118 PolarHBondContact O-N 3.09Å; S115-L119 PolarHBondContact N-O 2.82Å; S115-L119 PolarHBondContact OG-O 2.91Å; S115-I145 PolarHBondContact O-N 2.85Å
116S98.5Very high98.4Very high40 Ų4028.5 Ų28.528%0.2814%0.137SC..THydrogen-bonded Turntrans-73.3-2.9167.3-59.30000112.8A98 R118 T144A98-S116 PolarHBondContact O-N 3.18Å; S116-R118 PolarHBondContact O-N 2.76Å; S116-T144 VanDerWaalsContact OG-CG2 3.3Å; S116-T144 WeakPolarHBondContact OG-CG2 3.48Å; S116-T144 PolarHBondContact OG-OG1 3.06Å
117S98.4Very high98.1Very high22 Ų2233.7 Ų33.715%0.15416%0.156CC..THydrogen-bonded Turntrans-77.28.4168.3-70.70000112.5N96 R97 S115 L119N96-S117 PolarHBondContact N-OG 3.29Å; N96-S117 VanDerWaalsContact N-OG 3.08Å; N96-S117 PolarHBondContact OD1-OG 3.2Å; R97-S117 WeakPolarHBondContact CB-OG 3.26Å; R97-S117 PolarHBondContact N-OG 3.34Å; S115-S117 PolarHBondContact O-N 3.29Å; S115-S117 WeakPolarHBondContact OG-CB 3.49Å; S115-S117 PolarHBondContact OG-N 2.71Å; S117-L119 VanDerWaalsContact C-N 3.27Å; S117-L119 PolarHBondContact O-N 3.44Å
118R98.4Very high97.8Very high152 Ų15235.5 Ų35.557%0.57417%0.167SC*.SBendtrans60.738.1176.4-46.6173.4-179.4170-0112S115 S116 I141 R142 S143S115-R118 PolarHBondContact O-N 3.09Å; S116-R118 PolarHBondContact O-N 2.76Å; R118-I141 HydrophobicContact CB-CG2 4.22Å; R118-I141 WeakPolarHBondContact O-CB 3.4Å; R118-I141 WeakPolarHBondContact O-CG2 3.47Å; R118-R142 WeakPolarHBondContact CD-O 3.33Å; R118-S143 WeakPolarHBondContact CA-O 3.2Å
119L98.5Very high97.5Very high12 Ų1239.9 Ų39.96%0.06319%0.19CC..SBendtrans-150.9160.8179.768.979.3000110.5I95 S115 S117 S121 I137 K138I95-L119 HydrophobicContact CG2-CD1 3.7Å; I95-L119 HydrophobicContact CG2-CD2 4.45Å; I95-L119 HydrophobicContact CG2-CG 4.33Å; S115-L119 PolarHBondContact N-O 2.82Å; S115-L119 PolarHBondContact OG-O 2.91Å; S117-L119 VanDerWaalsContact C-N 3.27Å; S117-L119 PolarHBondContact O-N 3.44Å; L119-S121 WeakPolarHBondContact CD1-OG 3.49Å; L119-I137 VanDerWaalsContact CA-O 3.31Å; L119-I137 WeakPolarHBondContact CA-O 3.37Å; L119-I137 WeakPolarHBondContact CB-O 3.41Å; L119-K138 HydrophobicContact CB-CG 3.91Å; L119-K138 HydrophobicContact CD2-CG 4.28Å
120I98.9Very high97.3Very high0 Ų044.3 Ų44.30%021%0.214CC..EExtended strand (participates in β ladder)trans-109.7128.6171-54.7165.3000108.2A112 V113 I122 H136 I137 I141 I145 L148 L157 A159 F169A112-I120 HydrophobicContact CB-CG2 4.02Å; V113-I120 CarbonylContact O-C 3.56Å; V113-I120 WeakPolarHBondContact O-CA 3.37Å; I120-I122 HydrophobicContact CG2-CD1 3.73Å; I120-H136 WeakPolarHBondContact O-CA 3.24Å; I120-I137 HydrophobicContact CB-CB 4.31Å; I120-I137 PolarHBondContact N-O 3.2Å; I120-I137 PolarHBondContact O-N 3.03Å; I120-I141 HydrophobicContact CD1-CD1 4.08Å; I120-I141 HydrophobicContact CG1-CD1 4.02Å; I120-I145 HydrophobicContact CG1-CD1 4.29Å; I120-I145 HydrophobicContact CG1-CG1 3.88Å; I120-I145 HydrophobicContact CG1-CG2 4.46Å; I120-L148 HydrophobicContact CD1-CD2 3.85Å; I120-L148 HydrophobicContact CG1-CD2 4.22Å; I120-L148 HydrophobicContact CG2-CD1 4.25Å; I120-L148 HydrophobicContact CG2-CD2 4.33Å; I120-L157 HydrophobicContact CD1-CD2 4.36Å; I120-L157 HydrophobicContact CG2-CD2 3.91Å; I120-A159 HydrophobicContact CD1-CB 3.68Å; I120-F169 HydrophobicContact CD1-CD2 4.07Å; I120-F169 HydrophobicContact CD1-CE2 4.11Å
121S98.9Very high97.1Very high0 Ų050 Ų500%024%0.236CC..EExtended strand (participates in β ladder)trans-95.5115.6172.9-57.60000109.8L93 A112 V113 L119 H136L93-S121 PolarHBondContact O-OG 3.48Å; A112-S121 CarbonylContact C-O 3.57Å; A112-S121 WeakPolarHBondContact CA-O 3.37Å; V113-S121 PolarHBondContact N-O 3.26Å; V113-S121 PolarHBondContact O-N 3.18Å; L119-S121 WeakPolarHBondContact CD1-OG 3.49Å; S121-H136 PolarHBondContact OG-CD2 3.18Å; S121-H136 PolarHBondContact OG-NE2 2.9Å
122I98.9Very high97Very high0 Ų050.8 Ų50.80%024%0.239CC..EExtended strand (participates in β ladder)trans-95109.2173.6-52.2-56.3000107.6K110 F111 A112 I120 C134 K135 I137 W150 L157 A171 I173 F191K110-I122 HydrophobicContact CD-CG2 4.24Å; F111-I122 WeakPolarHBondContact O-CA 3.31Å; A112-I122 HydrophobicContact CB-CD1 3.59Å; I120-I122 HydrophobicContact CG2-CD1 3.73Å; I122-C134 CarbonylContact O-C 3.59Å; I122-C134 VanDerWaalsContact O-CA 3.26Å; I122-C134 WeakPolarHBondContact O-CA 3.48Å; I122-K135 PolarHBondContact N-O 3.24Å; I122-K135 PolarHBondContact O-N 2.91Å; I122-I137 HydrophobicContact CD1-CD1 4.19Å; I122-I137 HydrophobicContact CG1-CD1 3.93Å; I122-I137 HydrophobicContact CG1-CG1 4.22Å; I122-W150 HydrophobicContact CD1-CH2 4.32Å; I122-W150 HydrophobicContact CD1-CZ2 4.48Å; I122-W150 HydrophobicContact CG2-CH2 4.49Å; I122-L157 HydrophobicContact CD1-CD2 3.7Å; I122-A171 HydrophobicContact CD1-CB 3.75Å; I122-A171 HydrophobicContact CG1-CB 3.92Å; I122-A171 HydrophobicContact CG2-CB 4.33Å; I122-I173 HydrophobicContact CG2-CD1 3.97Å; I122-I173 HydrophobicContact CG2-CG1 3.96Å; I122-F191 HydrophobicContact CB-CE2 4.02Å; I122-F191 HydrophobicContact CB-CZ 4.41Å; I122-F191 HydrophobicContact CG1-CE2 3.81Å; I122-F191 HydrophobicContact CG1-CZ 4.14Å; I122-F191 HydrophobicContact CG2-CE2 4.46Å
123C98.8Very high96.9Very high0 Ų051.9 Ų51.90%025%0.245CC..EExtended strand (participates in β ladder)trans-107.1134.8-173.6-50.60000110.5V91 K110 F111 W132 V133 C134V91-C123 HydrophobicContact CG1-CB 4.16Å; K110-C123 CarbonylContact C-O 3.57Å; K110-C123 WeakPolarHBondContact CA-O 3.11Å; K110-C123 WeakPolarHBondContact CB-O 3.49Å; F111-C123 HydrophobicContact CD1-CB 4.12Å; F111-C123 HydrophobicContact CD2-CB 3.98Å; F111-C123 HydrophobicContact CE1-CB 3.7Å; F111-C123 HydrophobicContact CE2-CB 3.53Å; F111-C123 HydrophobicContact CG-CB 4.27Å; F111-C123 HydrophobicContact CZ-CB 3.4Å; F111-C123 PolarHBondContact N-O 2.87Å; F111-C123 PolarHBondContact O-N 2.85Å; C123-W132 HydrophobicContact CB-CE3 4.38Å; C123-V133 CarbonylContact C-O 3.59Å; C123-V133 WeakPolarHBondContact CA-O 3.24Å; C123-C134 HydrophobicContact CB-CB 4.32Å; C123-C134 VanDerWaalsContact SG-CB 3.52Å
124Y98.4Very high96.8Very high9 Ų952.2 Ų52.24%0.03525%0.248CC..EExtended strand (participates in β ladder)trans-141.1157.7176.963.9-87.3000110V133 K135 I173 E175 V176Y124-V133 HydrophobicContact CE1-CB 4.44Å; Y124-V133 HydrophobicContact CE2-CB 4.37Å; Y124-V133 PolarHBondContact N-O 2.86Å; Y124-V133 PolarHBondContact O-N 2.88Å; Y124-K135 HydrophobicContact CE1-CD 4.31Å; Y124-K135 HydrophobicContact CE1-CG 4.26Å; Y124-K135 WeakPolarHBondContact OH-CE 3.48Å; Y124-I173 HydrophobicContact CD1-CD1 4.29Å; Y124-I173 HydrophobicContact CD1-CG1 4.27Å; Y124-I173 HydrophobicContact CD1-CG2 3.71Å; Y124-I173 HydrophobicContact CD2-CG2 4.34Å; Y124-I173 HydrophobicContact CE1-CD1 4.23Å; Y124-I173 HydrophobicContact CE1-CG2 3.64Å; Y124-I173 HydrophobicContact CE2-CG2 4.29Å; Y124-I173 HydrophobicContact CG-CG2 4.06Å; Y124-E175 HydrophobicContact CE2-CB 4.3Å; Y124-V176 HydrophobicContact CD2-CG1 3.54Å; Y124-V176 HydrophobicContact CE2-CG1 4.3Å; Y124-V176 HydrophobicContact CG-CG1 4.05Å
125F97.5Very high96.8Very high62 Ų6255 Ų5527%0.27226%0.26SS..EExtended strand (participates in β ladder)trans-92.2128-177.9-167.4-103.4000110.5Q127 D130 W132F125-Q127 HydrophobicContact CD1-CG 4.2Å; F125-Q127 HydrophobicContact CE1-CG 4.47Å; F125-D130 VanDerWaalsContact CZ-OD1 3.3Å; F125-D130 WeakPolarHBondContact CZ-OD1 3.35Å; F125-W132 HydrophobicContact CB-CD2 4.28Å; F125-W132 HydrophobicContact CB-CE3 4.19Å; F125-W132 HydrophobicContact CB-CH2 4.02Å; F125-W132 HydrophobicContact CB-CZ2 4.11Å; F125-W132 HydrophobicContact CB-CZ3 4.07Å; F125-W132 AromaticContact CD2-CD1 3.79Å; F125-W132 AromaticContact CD2-CD2 3.92Å; F125-W132 HydrophobicContact CD2-CD2 3.92Å; F125-W132 AromaticContact CD2-CE2 3.65Å; F125-W132 AromaticContact CD2-CG 4Å; F125-W132 HydrophobicContact CD2-CG 4Å; F125-W132 HydrophobicContact CD2-CZ2 4.15Å; F125-W132 AromaticContact CD2-NE1 3.59Å; F125-W132 HydrophobicContact CG-CZ2 4.49Å
126E95.2Very high96.8Very high50 Ų5056.4 Ų56.423%0.23427%0.266CS..EExtended strand (participates in β ladder)trans-100.6104.2177.2-172.5173.1-102.400109.1E128 N129 D130 W131 V133E126-E128 VanDerWaalsContact C-N 3.28Å; E126-E128 PolarHBondContact O-N 3Å; E126-N129 PolarHBondContact O-N 2.78Å; E126-N129 PolarHBondContact OE2-ND2 3Å; E126-D130 PolarHBondContact O-N 3.02Å; E126-D130 VanDerWaalsContact O-N 3.08Å; E126-W131 PolarHBondContact N-O 2.99Å; E126-W131 PolarHBondContact OE2-NE1 3Å; E126-V133 HydrophobicContact CB-CG2 3.92Å
127Q92.1Very high96.8Very high172 Ų17254.6 Ų54.680%0.80425%0.253SS*.G310 helixtrans-62.1-33.8-172.8-67.6-177.2-1.800113.1F125 N129 D130F125-Q127 HydrophobicContact CD1-CG 4.2Å; F125-Q127 HydrophobicContact CE1-CG 4.47Å; Q127-N129 PolarHBondContact O-N 3.48Å; Q127-D130 PolarHBondContact O-N 2.88Å
128E92.3Very high96.8Very high179 Ų17959.3 Ų59.384%0.83627%0.271SS*.G310 helixtrans-62.1-32.1-177.9-63.4-179178.700112.9E126E126-E128 VanDerWaalsContact C-N 3.28Å; E126-E128 PolarHBondContact O-N 3Å
129N92.1Very high96.6Very high102 Ų10260.9 Ų60.955%0.54528%0.282SS..G310 helixtrans-115.74.5-173.7-71.6-42.6000112.5E126 Q127 W131E126-N129 PolarHBondContact O-N 2.78Å; E126-N129 PolarHBondContact OE2-ND2 3Å; Q127-N129 PolarHBondContact O-N 3.48Å; N129-W131 VanDerWaalsContact C-N 3.29Å; N129-W131 HydrophobicContact CB-CG 4.25Å; N129-W131 PolarHBondContact O-N 3.43Å
130D93.2Very high96.5Very high131 Ų13162.3 Ų62.370%0.70129%0.292SS*.THydrogen-bonded Turntrans50.940.2178.6-161.243.3000114.4F125 E126 Q127F125-D130 VanDerWaalsContact CZ-OD1 3.3Å; F125-D130 WeakPolarHBondContact CZ-OD1 3.35Å; E126-D130 PolarHBondContact O-N 3.02Å; E126-D130 VanDerWaalsContact O-N 3.08Å; Q127-D130 PolarHBondContact O-N 2.88Å
131W94.8Very high96.4Very high119 Ų11963 Ų6345%0.45130%0.295SS..EExtended strand (participates in β ladder)trans-145.9159.9-17575.1-51.7000113.5E126 N129 V133E126-W131 PolarHBondContact N-O 2.99Å; E126-W131 PolarHBondContact OE2-NE1 3Å; N129-W131 VanDerWaalsContact C-N 3.29Å; N129-W131 HydrophobicContact CB-CG 4.25Å; N129-W131 PolarHBondContact O-N 3.43Å; W131-V133 HydrophobicContact CD2-CG2 3.9Å; W131-V133 VanDerWaalsContact CE2-CG2 3.44Å; W131-V133 HydrophobicContact CE3-CG2 4.23Å; W131-V133 HydrophobicContact CH2-CG1 4.47Å; W131-V133 HydrophobicContact CH2-CG2 3.85Å; W131-V133 HydrophobicContact CZ2-CG2 3.45Å; W131-V133 VanDerWaalsContact CZ2-CG2 3.45Å; W131-V133 HydrophobicContact CZ3-CG2 4.21Å
132W97.6Very high96.3Very high17 Ų1770.3 Ų70.36%0.06432%0.323CS..EExtended strand (participates in β ladder)trans-86.8125.5175.5-7392.1000111.5V78 V91 W104 F111 C123 F125V78-W132 HydrophobicContact CB-CZ2 4.17Å; V78-W132 HydrophobicContact CG1-CZ2 3.94Å; V78-W132 HydrophobicContact CG2-CD2 4.35Å; V78-W132 HydrophobicContact CG2-CH2 4.3Å; V78-W132 HydrophobicContact CG2-CZ2 3.74Å; V91-W132 HydrophobicContact CB-CB 4.19Å; V91-W132 HydrophobicContact CB-CG 4.46Å; V91-W132 HydrophobicContact CG1-CB 3.74Å; V91-W132 HydrophobicContact CG1-CG 4.34Å; V91-W132 HydrophobicContact CG2-CB 3.74Å; V91-W132 HydrophobicContact CG2-CD2 3.99Å; V91-W132 HydrophobicContact CG2-CG 3.51Å; W104-W132 AromaticContact CH2-CH2 3.51Å; W104-W132 HydrophobicContact CH2-CH2 3.51Å; W104-W132 HydrophobicContact CH2-CZ2 4.06Å; W104-W132 HydrophobicContact CH2-CZ3 4.35Å; W104-W132 AromaticContact CZ3-CH2 3.82Å; W104-W132 HydrophobicContact CZ3-CH2 3.82Å; W104-W132 HydrophobicContact CZ3-CZ3 4.41Å; F111-W132 HydrophobicContact CD1-CE3 4.3Å; F111-W132 HydrophobicContact CD1-CH2 4.14Å; F111-W132 AromaticContact CD1-CZ3 3.7Å; F111-W132 HydrophobicContact CD1-CZ3 3.7Å; F111-W132 HydrophobicContact CE1-CD2 4.17Å; F111-W132 AromaticContact CE1-CE3 3.53Å; F111-W132 HydrophobicContact CE1-CE3 3.53Å; F111-W132 AromaticContact CE1-CH2 3.87Å; F111-W132 HydrophobicContact CE1-CH2 3.87Å; F111-W132 HydrophobicContact CE1-CZ2 4.45Å; F111-W132 AromaticContact CE1-CZ3 3.35Å; F111-W132 HydrophobicContact CE1-CZ3 3.35Å; F111-W132 HydrophobicContact CZ-CE3 4.32Å; C123-W132 HydrophobicContact CB-CE3 4.38Å; F125-W132 HydrophobicContact CB-CD2 4.28Å; F125-W132 HydrophobicContact CB-CE3 4.19Å; F125-W132 HydrophobicContact CB-CH2 4.02Å; F125-W132 HydrophobicContact CB-CZ2 4.11Å; F125-W132 HydrophobicContact CB-CZ3 4.07Å; F125-W132 AromaticContact CD2-CD1 3.79Å; F125-W132 AromaticContact CD2-CD2 3.92Å; F125-W132 HydrophobicContact CD2-CD2 3.92Å; F125-W132 AromaticContact CD2-CE2 3.65Å; F125-W132 AromaticContact CD2-CG 4Å; F125-W132 HydrophobicContact CD2-CG 4Å; F125-W132 HydrophobicContact CD2-CZ2 4.15Å; F125-W132 AromaticContact CD2-NE1 3.59Å; F125-W132 HydrophobicContact CG-CZ2 4.49Å
133V97.1Very high96.2Very high23 Ų2371.8 Ų71.814%0.13933%0.334CS..EExtended strand (participates in β ladder)trans-108148.6175-171.20000109.1C123 Y124 E126 W131C123-V133 CarbonylContact C-O 3.59Å; C123-V133 WeakPolarHBondContact CA-O 3.24Å; Y124-V133 HydrophobicContact CE1-CB 4.44Å; Y124-V133 HydrophobicContact CE2-CB 4.37Å; Y124-V133 PolarHBondContact N-O 2.86Å; Y124-V133 PolarHBondContact O-N 2.88Å; E126-V133 HydrophobicContact CB-CG2 3.92Å; W131-V133 HydrophobicContact CD2-CG2 3.9Å; W131-V133 VanDerWaalsContact CE2-CG2 3.44Å; W131-V133 HydrophobicContact CE3-CG2 4.23Å; W131-V133 HydrophobicContact CH2-CG1 4.47Å; W131-V133 HydrophobicContact CH2-CG2 3.85Å; W131-V133 HydrophobicContact CZ2-CG2 3.45Å; W131-V133 VanDerWaalsContact CZ2-CG2 3.45Å; W131-V133 HydrophobicContact CZ3-CG2 4.21Å
134C96.7Very high96.2Very high7 Ų773.2 Ų73.25%0.04734%0.342CS..EExtended strand (participates in β ladder)trans-127.1140.7173.271.70000112.7I92 R94 I122 C123I92-C134 PolarHBondContact O-SG 3.18Å; R94-C134 PolarHBondContact NE-SG 2.88Å; R94-C134 PolarHBondContact NH2-O 2.94Å; I122-C134 CarbonylContact O-C 3.59Å; I122-C134 VanDerWaalsContact O-CA 3.26Å; I122-C134 WeakPolarHBondContact O-CA 3.48Å; C123-C134 HydrophobicContact CB-CB 4.32Å; C123-C134 VanDerWaalsContact SG-CB 3.52Å
135K98.4Very high96.2Very high58 Ų5872.9 Ų72.925%0.25234%0.341SS..EExtended strand (participates in β ladder)trans-110.2149.5166.6-66.6-178.1-176.5169.30109.2I122 Y124 I173 E175 F191I122-K135 PolarHBondContact N-O 3.24Å; I122-K135 PolarHBondContact O-N 2.91Å; Y124-K135 HydrophobicContact CE1-CD 4.31Å; Y124-K135 HydrophobicContact CE1-CG 4.26Å; Y124-K135 WeakPolarHBondContact OH-CE 3.48Å; K135-I173 HydrophobicContact CB-CD1 4.47Å; K135-I173 HydrophobicContact CD-CD1 3.87Å; K135-E175 IonicContact NZ-OE1 3.81Å; K135-E175 PolarHBondContact NZ-OE1 3.07Å; K135-E175 IonicContact NZ-OE2 3.92Å; K135-E175 PolarHBondContact NZ-OE2 2.65Å; K135-F191 HydrophobicContact CB-CE1 3.85Å; K135-F191 HydrophobicContact CB-CE2 3.94Å; K135-F191 HydrophobicContact CB-CZ 3.41Å; K135-F191 VanDerWaalsContact CB-CZ 3.41Å
136H98.8Very high96.3Very high29 Ų2971.2 Ų71.213%0.13434%0.335CS..EExtended strand (participates in β ladder)trans-110.6130-174.6-65.2160.5000112.4L93 R94 I120 S121 K138L93-H136 PolarHBondContact O-NE2 2.9Å; R94-H136 PolarHBondContact O-CE1 2.7Å; I120-H136 WeakPolarHBondContact O-CA 3.24Å; S121-H136 PolarHBondContact OG-CD2 3.18Å; S121-H136 PolarHBondContact OG-NE2 2.9Å; H136-K138 HydrophobicContact CB-CG 4.06Å
137I98.8Very high96.5Very high3 Ų369.4 Ų69.42%0.01533%0.328CS..EExtended strand (participates in β ladder)trans-94.8115.1163.7-56.2176.8000106.9L119 I120 I122 I141 F169 A171 F191L119-I137 VanDerWaalsContact CA-O 3.31Å; L119-I137 WeakPolarHBondContact CA-O 3.37Å; L119-I137 WeakPolarHBondContact CB-O 3.41Å; I120-I137 HydrophobicContact CB-CB 4.31Å; I120-I137 PolarHBondContact N-O 3.2Å; I120-I137 PolarHBondContact O-N 3.03Å; I122-I137 HydrophobicContact CD1-CD1 4.19Å; I122-I137 HydrophobicContact CG1-CD1 3.93Å; I122-I137 HydrophobicContact CG1-CG1 4.22Å; I137-I141 HydrophobicContact CG2-CD1 4.42Å; I137-F169 HydrophobicContact CD1-CB 3.99Å; I137-F169 HydrophobicContact CD1-CG 4.49Å; I137-F169 HydrophobicContact CG2-CB 4.42Å; I137-F169 HydrophobicContact CG2-CD1 3.47Å; I137-F169 VanDerWaalsContact CG2-CD1 3.47Å; I137-F169 HydrophobicContact CG2-CD2 4.43Å; I137-F169 HydrophobicContact CG2-CE1 3.65Å; I137-F169 HydrophobicContact CG2-CG 3.88Å; I137-F169 HydrophobicContact CG2-CZ 4.23Å; I137-A171 HydrophobicContact CD1-CB 4.21Å; I137-F191 HydrophobicContact CD1-CE2 4.38Å; I137-F191 HydrophobicContact CD1-CZ 4.38Å; I137-F191 HydrophobicContact CG1-CE1 4.03Å; I137-F191 HydrophobicContact CG1-CE2 4.09Å; I137-F191 HydrophobicContact CG1-CZ 3.6Å
138K97.6Very high96.8Very high120 Ų12061.6 Ų61.652%0.52229%0.292SS..  trans-114.7-56.2-173.1-68.1-178176.7176.60113.2L119 H136 I141L119-K138 HydrophobicContact CB-CG 3.91Å; L119-K138 HydrophobicContact CD2-CG 4.28Å; H136-K138 HydrophobicContact CB-CG 4.06Å; K138-I141 VanDerWaalsContact O-CB 3.29Å; K138-I141 WeakPolarHBondContact O-CB 3.49Å; K138-I141 PolarHBondContact O-N 3.47Å
139K94Very high97.1Very high185 Ų18553.7 Ų53.780%0.80426%0.255SS*.THydrogen-bonded Turntrans-86.2144-178.4-66.4-175.7178.2-178.40109.8
140P96.2Very high97.4Very high42 Ų4249.3 Ų49.327%0.27323%0.231SC..THydrogen-bonded Turncis-96.228.9-1.838.2-35.7000113.4R142 R167 V194 E197P140-R142 WeakPolarHBondContact O-CG 3.48Å; P140-R142 PolarHBondContact O-N 3.37Å; P140-R167 PolarHBondContact O-NH2 3.14Å; P140-V194 VanDerWaalsContact CD-CG2 3.45Å; P140-V194 HydrophobicContact CG-CG2 4.17Å; P140-E197 WeakPolarHBondContact CG-OE2 3.22Å
141I97Very high97.7Very high14 Ų1443.4 Ų43.47%0.07220%0.199CC..  trans-63.7125-175.5-58.6159.2000110.1R118 I120 I137 K138 S143 I145 F169R118-I141 HydrophobicContact CB-CG2 4.22Å; R118-I141 WeakPolarHBondContact O-CB 3.4Å; R118-I141 WeakPolarHBondContact O-CG2 3.47Å; I120-I141 HydrophobicContact CD1-CD1 4.08Å; I120-I141 HydrophobicContact CG1-CD1 4.02Å; I137-I141 HydrophobicContact CG2-CD1 4.42Å; K138-I141 VanDerWaalsContact O-CB 3.29Å; K138-I141 WeakPolarHBondContact O-CB 3.49Å; K138-I141 PolarHBondContact O-N 3.47Å; I141-S143 VanDerWaalsContact CG2-O 3.26Å; I141-S143 WeakPolarHBondContact CG2-O 3.15Å; I141-I145 HydrophobicContact CB-CD1 4.47Å; I141-I145 HydrophobicContact CD1-CD1 4Å; I141-I145 HydrophobicContact CG1-CD1 4.13Å; I141-I145 HydrophobicContact CG2-CD1 3.5Å; I141-I145 VanDerWaalsContact CG2-CD1 3.5Å; I141-I145 HydrophobicContact CG2-CG1 4.28Å; I141-F169 HydrophobicContact CD1-CE2 4.23Å; I141-F169 HydrophobicContact CD1-CZ 3.94Å; I141-F169 HydrophobicContact CG1-CE2 4.27Å; I141-F169 HydrophobicContact CG1-CZ 3.73Å
142R96.2Very high97.8Very high154 Ų15440.7 Ų40.758%0.58120%0.197SC*.  trans-111.7-7.6-177.4-68.2-171.9-68.5-111.10.2114.9R118 P140 D163R118-R142 WeakPolarHBondContact CD-O 3.33Å; P140-R142 WeakPolarHBondContact O-CG 3.48Å; P140-R142 PolarHBondContact O-N 3.37Å; R142-D163 HydrophobicContact CB-CB 3.97Å; R142-D163 PolarHBondContact N-OD2 2.92Å
143S97.9Very high97.9Very high32 Ų3242 Ų4222%0.22421%0.205CC..SBendtrans-148.2-176.8-178.9-156.90000111.8R118 I141 C162 D163R118-S143 WeakPolarHBondContact CA-O 3.2Å; I141-S143 VanDerWaalsContact CG2-O 3.26Å; I141-S143 WeakPolarHBondContact CG2-O 3.15Å; S143-C162 VanDerWaalsContact CB-C 3.49Å; S143-C162 VanDerWaalsContact OG-CB 3.25Å; S143-C162 WeakPolarHBondContact OG-CB 3.11Å; S143-D163 VanDerWaalsContact CB-N 3.35Å
144T98.6Very high97.9Very high30 Ų3041 Ų4118%0.18420%0.199CC..  trans-55.8135.4179.4-60.20000111.7R100 S116 L146 S161 C162R100-T144 HydrophobicContact CG-CG2 4.49Å; S116-T144 VanDerWaalsContact OG-CG2 3.3Å; S116-T144 WeakPolarHBondContact OG-CG2 3.48Å; S116-T144 PolarHBondContact OG-OG1 3.06Å; T144-L146 HydrophobicContact CG2-CD2 4.17Å; T144-S161 CarbonylContact O-C 3.54Å; T144-S161 WeakPolarHBondContact O-CA 3.25Å; T144-S161 VanDerWaalsContact O-CB 3.25Å; T144-S161 WeakPolarHBondContact O-CB 3.25Å; T144-C162 PolarHBondContact O-N 2.92Å
145I98.8Very high98Very high1 Ų140.8 Ų40.81%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-82.6123168.5-55.6-56.3000108.8R100 S115 I120 I141 L148 A159R100-I145 WeakPolarHBondContact CB-O 3.22Å; R100-I145 WeakPolarHBondContact CG-O 3.49Å; S115-I145 PolarHBondContact O-N 2.85Å; I120-I145 HydrophobicContact CG1-CD1 4.29Å; I120-I145 HydrophobicContact CG1-CG1 3.88Å; I120-I145 HydrophobicContact CG1-CG2 4.46Å; I141-I145 HydrophobicContact CB-CD1 4.47Å; I141-I145 HydrophobicContact CD1-CD1 4Å; I141-I145 HydrophobicContact CG1-CD1 4.13Å; I141-I145 HydrophobicContact CG2-CD1 3.5Å; I141-I145 VanDerWaalsContact CG2-CD1 3.5Å; I141-I145 HydrophobicContact CG2-CG1 4.28Å; I145-L148 HydrophobicContact CG2-CD2 3.93Å; I145-L148 HydrophobicContact CG2-CG 4.1Å; I145-A159 HydrophobicContact CG2-CB 4.48Å
146L98.8Very high98Very high27 Ų2738 Ų3814%0.14119%0.185CC..EExtended strand (participates in β ladder)trans-97.1-36.6-178.1-66.8179.7000112.6R100 T144 G160 C162 W214 V215R100-L146 HydrophobicContact CG-CD2 4.27Å; T144-L146 HydrophobicContact CG2-CD2 4.17Å; L146-G160 PolarHBondContact N-O 3.19Å; L146-C162 VanDerWaalsContact CD1-SG 3.57Å; L146-W214 HydrophobicContact CD1-CB 3.93Å; L146-V215 WeakPolarHBondContact CB-O 3.47Å; L146-V215 WeakPolarHBondContact CD1-O 3.33Å
147S98.8Very high98Very high12 Ų1236.7 Ų36.78%0.08418%0.179CC..EExtended strand (participates in β ladder)trans-144153.5-175.450.50000112.3A159 G160 H216 S217 V218S147-A159 WeakPolarHBondContact O-CA 3.4Å; S147-G160 PolarHBondContact N-O 3.33Å; S147-G160 PolarHBondContact O-N 2.84Å; S147-H216 WeakPolarHBondContact CB-O 3.47Å; S147-H216 PolarHBondContact OG-O 3.12Å; S147-H216 VanDerWaalsContact OG-O 3.07Å; S147-S217 VanDerWaalsContact OG-CA 3.26Å; S147-S217 WeakPolarHBondContact OG-CA 3.4Å; S147-S217 PolarHBondContact OG-N 2.63Å; S147-V218 PolarHBondContact OG-N 3.38Å
148L98.9Very high98Very high9 Ų936.5 Ų36.55%0.04718%0.178CC..EExtended strand (participates in β ladder)trans-139.9144179.6-70.7175.4000109K103 A112 G114 I120 I145 L157 A158 A159K103-L148 HydrophobicContact CG-CB 4.34Å; K103-L148 WeakPolarHBondContact CG-O 3.01Å; A112-L148 HydrophobicContact CB-CD1 3.8Å; G114-L148 VanDerWaalsContact N-CD1 3.33Å; I120-L148 HydrophobicContact CD1-CD2 3.85Å; I120-L148 HydrophobicContact CG1-CD2 4.22Å; I120-L148 HydrophobicContact CG2-CD1 4.25Å; I120-L148 HydrophobicContact CG2-CD2 4.33Å; I145-L148 HydrophobicContact CG2-CD2 3.93Å; I145-L148 HydrophobicContact CG2-CG 4.1Å; L148-L157 HydrophobicContact CB-CD1 4.32Å; L148-L157 HydrophobicContact CD2-CD1 4.29Å; L148-L157 HydrophobicContact CD2-CD2 4.06Å; L148-L157 HydrophobicContact CD2-CG 4.18Å; L148-A158 WeakPolarHBondContact CA-O 3.45Å; L148-A159 HydrophobicContact CD2-CB 3.72Å
149D98.9Very high98.1Very high13 Ų1330.9 Ų30.97%0.0715%0.154CC..EExtended strand (participates in β ladder)trans-149135.3168.6-169.140.5000111.5A158 V218 C219 F220 R347D149-A158 PolarHBondContact N-O 3.27Å; D149-A158 VanDerWaalsContact N-O 3.1Å; D149-A158 PolarHBondContact O-N 2.49Å; D149-V218 HydrophobicContact CB-CG2 4.17Å; D149-V218 WeakPolarHBondContact CB-O 3.37Å; D149-C219 WeakPolarHBondContact OD2-CA 3.46Å; D149-F220 PolarHBondContact OD2-N 3.48Å; D149-R347 VanDerWaalsContact CG-NH2 3.31Å; D149-R347 IonicContact OD1-CZ 3.39Å; D149-R347 IonicContact OD1-NH1 2.84Å; D149-R347 IonicContact OD1-NH2 3.06Å; D149-R347 PolarHBondContact OD1-NH2 2.75Å; D149-R347 IonicContact OD2-CZ 3.02Å; D149-R347 VanDerWaalsContact OD2-CZ 3.27Å; D149-R347 IonicContact OD2-NH1 3.35Å; D149-R347 PolarHBondContact OD2-NH1 3.36Å; D149-R347 IonicContact OD2-NH2 3.52Å; D149-R347 PolarHBondContact OD2-NH2 2.89Å
150W98.9Very high98.3Very high9 Ų922 Ų223%0.03412%0.116CC..EExtended strand (participates in β ladder)trans-86.1139-178-73.997.5000111.2K103 W104 P106 K110 A112 I122 N154 L157 A171K103-W150 PolarHBondContact O-NE1 2.89Å; W104-W150 PolarHBondContact O-NE1 3.28Å; P106-W150 HydrophobicContact CG-CB 4.08Å; K110-W150 HydrophobicContact CD-CH2 4.07Å; K110-W150 HydrophobicContact CG-CH2 4.15Å; K110-W150 HydrophobicContact CG-CZ2 4.38Å; A112-W150 HydrophobicContact CB-CZ2 3.63Å; I122-W150 HydrophobicContact CD1-CH2 4.32Å; I122-W150 HydrophobicContact CD1-CZ2 4.48Å; I122-W150 HydrophobicContact CG2-CH2 4.49Å; W150-N154 WeakPolarHBondContact CZ3-O 3.42Å; W150-L157 HydrophobicContact CD2-CD1 3.68Å; W150-L157 HydrophobicContact CE3-CB 4.17Å; W150-L157 HydrophobicContact CE3-CD1 4.12Å; W150-L157 HydrophobicContact CG-CD1 3.93Å; W150-L157 HydrophobicContact CZ2-CD1 4.29Å; W150-L157 HydrophobicContact CZ3-CB 4.22Å; W150-A171 HydrophobicContact CH2-CB 3.57Å; W150-A171 HydrophobicContact CZ3-CB 3.64Å
151H98.8Very high98.4Very high8 Ų820.1 Ų20.14%0.03710%0.103CC..  trans-70.8148166.7-177.7-85.7000110.1N153 N154 L156 F220 G224H151-N153 VanDerWaalsContact ND1-CB 3.34Å; H151-N153 WeakPolarHBondContact ND1-CB 3.38Å; H151-N153 PolarHBondContact ND1-N 3.04Å; H151-N153 PolarHBondContact ND1-OD1 3.35Å; H151-N153 PolarHBondContact O-N 3.14Å; H151-N154 PolarHBondContact O-N 2.86Å; H151-L156 HydrophobicContact CB-CB 3.52Å; H151-L156 WeakPolarHBondContact CB-O 3.44Å; H151-L156 PolarHBondContact N-O 3Å; H151-F220 HydrophobicContact CB-CD2 3.84Å; H151-F220 HydrophobicContact CB-CE1 4.44Å; H151-F220 HydrophobicContact CB-CE2 3.68Å; H151-F220 HydrophobicContact CB-CG 4.26Å; H151-F220 HydrophobicContact CB-CZ 4.01Å; H151-F220 AromaticContact CD2-CD1 3.91Å; H151-F220 AromaticContact CD2-CE1 3.84Å; H151-G224 VanDerWaalsContact CD2-CA 3.45Å; H151-G224 WeakPolarHBondContact CD2-CA 3.09Å; H151-G224 PolarHBondContact CD2-O 2.83Å; H151-G224 WeakPolarHBondContact NE2-CA 3.4Å; H151-G224 PolarHBondContact NE2-O 2.83Å
152P98.1Very high98.4Very high62 Ų6220.4 Ų20.440%0.40311%0.106SC..THydrogen-bonded Turntrans-52.8-30.3-179.5-26.731.1000115.1N154 H222P152-N154 PolarHBondContact O-N 2.78Å; P152-N154 VanDerWaalsContact O-N 3.1Å; P152-H222 WeakPolarHBondContact CG-O 3.45Å
153N97.8Very high98.4Very high44 Ų4413.9 Ų13.924%0.2358%0.083CC..THydrogen-bonded Turntrans-68.80.5177.880.6-12.5000115.3H151 V155 L156H151-N153 VanDerWaalsContact ND1-CB 3.34Å; H151-N153 WeakPolarHBondContact ND1-CB 3.38Å; H151-N153 PolarHBondContact ND1-N 3.04Å; H151-N153 PolarHBondContact ND1-OD1 3.35Å; H151-N153 PolarHBondContact O-N 3.14Å; N153-V155 WeakPolarHBondContact O-CG2 3.27Å; N153-V155 PolarHBondContact O-N 3.26Å; N153-V155 VanDerWaalsContact O-N 3.15Å; N153-V155 PolarHBondContact OD1-N 2.8Å; N153-L156 PolarHBondContact OD1-N 3.01Å
154N98.4Very high98.3Very high1 Ų117 Ų171%0.0059%0.092CC..SBendtrans67.33.7-178.5-15872.6000115.3S105 P106 K107 N109 K110 W150 H151 P152 E177S105-N154 WeakPolarHBondContact CB-OD1 3.22Å; S105-N154 PolarHBondContact OG-OD1 3.01Å; P106-N154 WeakPolarHBondContact CD-OD1 3.31Å; K107-N154 HydrophobicContact CB-CB 4.46Å; K107-N154 WeakPolarHBondContact CB-OD1 3.13Å; K107-N154 HydrophobicContact CD-CB 4.05Å; K107-N154 HydrophobicContact CG-CB 3.96Å; K107-N154 PolarHBondContact N-OD1 3.04Å; N109-N154 PolarHBondContact OD1-ND2 2.84Å; K110-N154 WeakPolarHBondContact CE-O 3.47Å; K110-N154 PolarHBondContact NZ-O 2.9Å; W150-N154 WeakPolarHBondContact CZ3-O 3.42Å; H151-N154 PolarHBondContact O-N 2.86Å; P152-N154 PolarHBondContact O-N 2.78Å; P152-N154 VanDerWaalsContact O-N 3.1Å; N154-E177 PolarHBondContact ND2-OE1 3.36Å
155V98.6Very high98.1Very high4 Ų417.1 Ų17.12%0.0249%0.091CC..SBendtrans-114.8-53.3-173.2178.10000111.8N153 A171 E177 P180 M189N153-V155 WeakPolarHBondContact O-CG2 3.27Å; N153-V155 PolarHBondContact O-N 3.26Å; N153-V155 VanDerWaalsContact O-N 3.15Å; N153-V155 PolarHBondContact OD1-N 2.8Å; V155-A171 PolarHBondContact O-N 2.86Å; V155-E177 VanDerWaalsContact CG2-OE2 3.23Å; V155-E177 WeakPolarHBondContact CG2-OE2 3.45Å; V155-P180 HydrophobicContact CB-CB 4.36Å; V155-P180 HydrophobicContact CG1-CB 4.37Å; V155-P180 HydrophobicContact CG1-CG 4.13Å; V155-P180 HydrophobicContact CG2-CB 3.79Å; V155-P180 HydrophobicContact CG2-CG 4.21Å; V155-M189 HydrophobicContact CG1-CB 4.41Å; V155-M189 HydrophobicContact CG1-SD 4.16Å
156L98.8Very high98Very high0 Ų017.1 Ų17.10%09%0.09CC..EExtended strand (participates in β ladder)trans-74.4139.7-178.5-59.6178.3000109.5H151 N153 V168 F169 T183 W185 M189 L195 F220H151-L156 HydrophobicContact CB-CB 3.52Å; H151-L156 WeakPolarHBondContact CB-O 3.44Å; H151-L156 PolarHBondContact N-O 3Å; N153-L156 PolarHBondContact OD1-N 3.01Å; L156-V168 HydrophobicContact CB-CG1 3.9Å; L156-V168 HydrophobicContact CD1-CG1 4.34Å; L156-V168 HydrophobicContact CD2-CG1 4.17Å; L156-V168 HydrophobicContact CG-CG1 4.36Å; L156-F169 CarbonylContact C-O 3.53Å; L156-F169 WeakPolarHBondContact CA-O 3.39Å; L156-T183 HydrophobicContact CD1-CG2 4.15Å; L156-T183 WeakPolarHBondContact CD1-OG1 3.32Å; L156-W185 HydrophobicContact CD1-CB 3.89Å; L156-W185 HydrophobicContact CD1-CG 3.98Å; L156-M189 HydrophobicContact CD2-CG 4.14Å; L156-M189 HydrophobicContact CD2-SD 3.82Å; L156-M189 HydrophobicContact CG-SD 4.22Å; L156-L195 HydrophobicContact CD2-CD1 3.89Å; L156-L195 HydrophobicContact CD2-CG 3.85Å; L156-F220 HydrophobicContact CB-CZ 4.41Å
157L98.9Very high98Very high0 Ų015.9 Ų15.90%08%0.084CC..EExtended strand (participates in β ladder)trans-132.9119.4-177.9177.470.7000108.9A112 I120 I122 L148 W150 V168 F169 A171A112-L157 HydrophobicContact CB-CD1 4.12Å; A112-L157 HydrophobicContact CB-CD2 3.57Å; I120-L157 HydrophobicContact CD1-CD2 4.36Å; I120-L157 HydrophobicContact CG2-CD2 3.91Å; I122-L157 HydrophobicContact CD1-CD2 3.7Å; L148-L157 HydrophobicContact CB-CD1 4.32Å; L148-L157 HydrophobicContact CD2-CD1 4.29Å; L148-L157 HydrophobicContact CD2-CD2 4.06Å; L148-L157 HydrophobicContact CD2-CG 4.18Å; W150-L157 HydrophobicContact CD2-CD1 3.68Å; W150-L157 HydrophobicContact CE3-CB 4.17Å; W150-L157 HydrophobicContact CE3-CD1 4.12Å; W150-L157 HydrophobicContact CG-CD1 3.93Å; W150-L157 HydrophobicContact CZ2-CD1 4.29Å; W150-L157 HydrophobicContact CZ3-CB 4.22Å; L157-V168 WeakPolarHBondContact O-CA 3.19Å; L157-F169 PolarHBondContact N-O 3.33Å; L157-F169 PolarHBondContact O-N 2.89Å; L157-A171 HydrophobicContact CB-CB 4.24Å; L157-A171 HydrophobicContact CD2-CB 4.47Å
158A98.8Very high97.9Very high0 Ų015.3 Ų15.30%08%0.08CC..EExtended strand (participates in β ladder)trans-81.6143.8172.200000109.9L148 D149 R167 V218 F220 L227L148-A158 WeakPolarHBondContact CA-O 3.45Å; D149-A158 PolarHBondContact N-O 3.27Å; D149-A158 VanDerWaalsContact N-O 3.1Å; D149-A158 PolarHBondContact O-N 2.49Å; A158-R167 CarbonylContact C-O 3.57Å; A158-R167 VanDerWaalsContact CA-O 3.24Å; A158-R167 WeakPolarHBondContact CA-O 3.19Å; A158-V218 HydrophobicContact CB-CB 4.19Å; A158-V218 HydrophobicContact CB-CG2 3.92Å; A158-F220 HydrophobicContact CB-CD2 3.96Å; A158-F220 HydrophobicContact CB-CE2 3.5Å; A158-F220 VanDerWaalsContact CB-CE2 3.5Å; A158-F220 HydrophobicContact CB-CZ 4.06Å; A158-L227 HydrophobicContact CB-CD1 3.52Å; A158-L227 HydrophobicContact CB-CD2 3.97Å; A158-L227 HydrophobicContact CB-CG 4.42Å
159A98.9Very high97.9Very high1 Ų114.9 Ų14.91%0.0088%0.078CC..EExtended strand (participates in β ladder)trans-140.9131177.400000111.5I120 I145 S147 L148 C166 R167 F169I120-A159 HydrophobicContact CD1-CB 3.68Å; I145-A159 HydrophobicContact CG2-CB 4.48Å; S147-A159 WeakPolarHBondContact O-CA 3.4Å; L148-A159 HydrophobicContact CD2-CB 3.72Å; A159-C166 WeakPolarHBondContact O-CA 3.44Å; A159-R167 PolarHBondContact N-O 3.11Å; A159-R167 PolarHBondContact O-N 3.08Å; A159-F169 HydrophobicContact CB-CD2 4.34Å; A159-F169 HydrophobicContact CB-CE2 4.16Å
160G98.6Very high97.9Very high0 Ų014.3 Ų14.30%07%0.074CC..EExtended strand (participates in β ladder)trans-104134.9170.100000111L146 S147 V215L146-G160 PolarHBondContact N-O 3.19Å; S147-G160 PolarHBondContact N-O 3.33Å; S147-G160 PolarHBondContact O-N 2.84Å; G160-V215 CarbonylContact C-O 3.52Å
161S98.2Very high97.9Very high1 Ų113.9 Ų13.91%0.0077%0.073CC..EExtended strand (participates in β ladder)trans-135.7160.4-176.543.20000115.4T144 D163 F164 K165 R167 V215T144-S161 CarbonylContact O-C 3.54Å; T144-S161 WeakPolarHBondContact O-CA 3.25Å; T144-S161 VanDerWaalsContact O-CB 3.25Å; T144-S161 WeakPolarHBondContact O-CB 3.25Å; S161-D163 WeakPolarHBondContact CB-OD1 3.27Å; S161-D163 PolarHBondContact O-N 2.8Å; S161-D163 VanDerWaalsContact O-N 3.17Å; S161-D163 PolarHBondContact OG-OD1 3.48Å; S161-F164 PolarHBondContact O-N 2.89Å; S161-K165 PolarHBondContact N-O 3.06Å; S161-K165 VanDerWaalsContact N-O 3.11Å; S161-K165 PolarHBondContact OG-O 3.24Å; S161-R167 PolarHBondContact OG-NH1 3.35Å; S161-V215 PolarHBondContact O-N 2.79Å
162C97.6Very high97.9Very high21 Ų2115.8 Ų15.814%0.1428%0.08CC..THydrogen-bonded Turntrans-70.81.3175-68.90000113.9S143 T144 L146 W214S143-C162 VanDerWaalsContact CB-C 3.49Å; S143-C162 VanDerWaalsContact OG-CB 3.25Å; S143-C162 WeakPolarHBondContact OG-CB 3.11Å; T144-C162 PolarHBondContact O-N 2.92Å; L146-C162 VanDerWaalsContact CD1-SG 3.57Å; C162-W214 HydrophobicContact CB-CG 4.2Å
163D95.3Very high97.9Very high16 Ų1612.9 Ų12.99%0.0866%0.061CC..THydrogen-bonded Turntrans-90.415.4168.868-4.7000111.9R142 S143 S161 K165 R167R142-D163 HydrophobicContact CB-CB 3.97Å; R142-D163 PolarHBondContact N-OD2 2.92Å; S143-D163 VanDerWaalsContact CB-N 3.35Å; S161-D163 WeakPolarHBondContact CB-OD1 3.27Å; S161-D163 PolarHBondContact O-N 2.8Å; S161-D163 VanDerWaalsContact O-N 3.17Å; S161-D163 PolarHBondContact OG-OD1 3.48Å; D163-K165 VanDerWaalsContact C-N 3.3Å; D163-K165 PolarHBondContact O-N 3.06Å; D163-K165 WeakPolarHBondContact OD1-CB 3.16Å; D163-K165 PolarHBondContact OD1-N 3.36Å; D163-R167 IonicContact OD1-NH1 3.79Å; D163-R167 PolarHBondContact OD1-NH1 3.4Å; D163-R167 IonicContact OD2-CZ 3.68Å; D163-R167 IonicContact OD2-NH1 3.7Å; D163-R167 PolarHBondContact OD2-NH1 3.39Å; D163-R167 IonicContact OD2-NH2 2.74Å; D163-R167 PolarHBondContact OD2-NH2 3.33Å
164F95.4Very high97.8Very high97 Ų9717.9 Ų17.943%0.4258%0.081SC..SBendtrans70.222.3175.2-34.8-55.9000114S161 G212 G213 W214S161-F164 PolarHBondContact O-N 2.89Å; F164-G212 WeakPolarHBondContact CD1-O 3.32Å; F164-G212 VanDerWaalsContact CE1-O 3.26Å; F164-G212 WeakPolarHBondContact CE1-O 3.36Å; F164-G213 WeakPolarHBondContact CA-O 3.35Å; F164-G213 VanDerWaalsContact CD1-C 3.49Å; F164-G213 WeakPolarHBondContact CD1-O 3.41Å; F164-W214 AromaticContact CD1-CD1 3.81Å; F164-W214 AromaticContact CE1-CD1 3.43Å; F164-W214 VanDerWaalsContact CE1-CD1 3.43Å; F164-W214 AromaticContact CE1-NE1 3.72Å
165K95.5Very high97.7Very high34 Ų3422 Ų2215%0.14810%0.1CC..  trans-117.2137.1-176.3-59.3-60.9-170.5-176.50111.8S161 D163 R167 E197 S198 G199S161-K165 PolarHBondContact N-O 3.06Å; S161-K165 VanDerWaalsContact N-O 3.11Å; S161-K165 PolarHBondContact OG-O 3.24Å; D163-K165 VanDerWaalsContact C-N 3.3Å; D163-K165 PolarHBondContact O-N 3.06Å; D163-K165 WeakPolarHBondContact OD1-CB 3.16Å; D163-K165 PolarHBondContact OD1-N 3.36Å; K165-R167 HydrophobicContact CB-CG 4.3Å; K165-E197 HydrophobicContact CD-CG 4.14Å; K165-E197 HydrophobicContact CG-CG 4.47Å; K165-S198 WeakPolarHBondContact CD-O 3.29Å; K165-S198 WeakPolarHBondContact CE-O 3.24Å; K165-S198 PolarHBondContact NZ-O 2.96Å; K165-G199 PolarHBondContact NZ-O 2.83Å
166C96.8Very high97.6Very high0 Ų023.8 Ų23.80%011%0.111CC..EExtended strand (participates in β ladder)trans-97.5131.6157.8-177.70000107.7A159 S198 V215 L227 W229A159-C166 WeakPolarHBondContact O-CA 3.44Å; C166-S198 PolarHBondContact N-OG 2.87Å; C166-S198 PolarHBondContact O-N 3.34Å; C166-S198 PolarHBondContact O-OG 2.99Å; C166-V215 HydrophobicContact CB-CG1 4.4Å; C166-L227 VanDerWaalsContact SG-CD2 3.56Å; C166-W229 HydrophobicContact CB-CB 4.35Å; C166-W229 HydrophobicContact CB-CD2 3.7Å; C166-W229 HydrophobicContact CB-CE3 4.14Å; C166-W229 HydrophobicContact CB-CG 3.82Å
167R97.6Very high97.5Very high1 Ų124.9 Ų24.90%0.00412%0.116CC..EExtended strand (participates in β ladder)trans-134.3150.8-178.4-66.1-177.6-179.399.1-5.2111.7P140 A158 A159 S161 D163 K165 F169 F196 E197P140-R167 PolarHBondContact O-NH2 3.14Å; A158-R167 CarbonylContact C-O 3.57Å; A158-R167 VanDerWaalsContact CA-O 3.24Å; A158-R167 WeakPolarHBondContact CA-O 3.19Å; A159-R167 PolarHBondContact N-O 3.11Å; A159-R167 PolarHBondContact O-N 3.08Å; S161-R167 PolarHBondContact OG-NH1 3.35Å; D163-R167 IonicContact OD1-NH1 3.79Å; D163-R167 PolarHBondContact OD1-NH1 3.4Å; D163-R167 IonicContact OD2-CZ 3.68Å; D163-R167 IonicContact OD2-NH1 3.7Å; D163-R167 PolarHBondContact OD2-NH1 3.39Å; D163-R167 IonicContact OD2-NH2 2.74Å; D163-R167 PolarHBondContact OD2-NH2 3.33Å; K165-R167 HydrophobicContact CB-CG 4.3Å; R167-F169 HydrophobicContact CB-CD2 4.13Å; R167-F169 HydrophobicContact CB-CE2 3.54Å; R167-F169 HydrophobicContact CB-CZ 3.98Å; R167-F169 VanDerWaalsContact CD-CZ 3.41Å; R167-F169 HydrophobicContact CG-CE2 4.33Å; R167-F169 HydrophobicContact CG-CZ 4.36Å; R167-F196 CarbonylContact C-O 3.57Å; R167-F196 VanDerWaalsContact CA-O 3.23Å; R167-F196 WeakPolarHBondContact CA-O 3.33Å; R167-E197 HydrophobicContact CG-CB 4.18Å; R167-E197 HydrophobicContact CG-CG 4.04Å; R167-E197 IonicContact CZ-OE2 2.83Å; R167-E197 IonicContact NE-OE2 3.2Å; R167-E197 PolarHBondContact NE-OE2 2.87Å; R167-E197 IonicContact NH2-OE2 3.06Å; R167-E197 PolarHBondContact NH2-OE2 2.88Å; R167-E197 VanDerWaalsContact NH2-OE2 3.15Å
168V98.2Very high97.3Very high0 Ų033 Ų330%015%0.154CC..EExtended strand (participates in β ladder)trans-111.8123.5164.8-1790000108.7L156 L157 W185 L195 F196 F220 L227L156-V168 HydrophobicContact CB-CG1 3.9Å; L156-V168 HydrophobicContact CD1-CG1 4.34Å; L156-V168 HydrophobicContact CD2-CG1 4.17Å; L156-V168 HydrophobicContact CG-CG1 4.36Å; L157-V168 WeakPolarHBondContact O-CA 3.19Å; V168-W185 HydrophobicContact CG2-CE3 4.47Å; V168-L195 HydrophobicContact CB-CB 4.34Å; V168-L195 HydrophobicContact CG1-CB 4.15Å; V168-L195 PolarHBondContact O-N 3.2Å; V168-F196 HydrophobicContact CB-CB 3.9Å; V168-F196 HydrophobicContact CG2-CB 3.91Å; V168-F196 HydrophobicContact CG2-CD1 4.15Å; V168-F196 HydrophobicContact CG2-CG 4.43Å; V168-F196 PolarHBondContact N-O 3.11Å; V168-F196 PolarHBondContact O-N 3.14Å; V168-F220 HydrophobicContact CG1-CZ 3.9Å; V168-F220 HydrophobicContact CG2-CE1 4.27Å; V168-F220 HydrophobicContact CG2-CZ 3.76Å; V168-L227 HydrophobicContact CG2-CD2 3.46Å; V168-L227 VanDerWaalsContact CG2-CD2 3.46Å
169F98.6Very high97.2Very high1 Ų141.6 Ų41.60%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-109.7154.5174.3-63.6-85.6000111.3I120 I137 I141 L156 L157 A159 R167 E193 V194I120-F169 HydrophobicContact CD1-CD2 4.07Å; I120-F169 HydrophobicContact CD1-CE2 4.11Å; I137-F169 HydrophobicContact CD1-CB 3.99Å; I137-F169 HydrophobicContact CD1-CG 4.49Å; I137-F169 HydrophobicContact CG2-CB 4.42Å; I137-F169 HydrophobicContact CG2-CD1 3.47Å; I137-F169 VanDerWaalsContact CG2-CD1 3.47Å; I137-F169 HydrophobicContact CG2-CD2 4.43Å; I137-F169 HydrophobicContact CG2-CE1 3.65Å; I137-F169 HydrophobicContact CG2-CG 3.88Å; I137-F169 HydrophobicContact CG2-CZ 4.23Å; I141-F169 HydrophobicContact CD1-CE2 4.23Å; I141-F169 HydrophobicContact CD1-CZ 3.94Å; I141-F169 HydrophobicContact CG1-CE2 4.27Å; I141-F169 HydrophobicContact CG1-CZ 3.73Å; L156-F169 CarbonylContact C-O 3.53Å; L156-F169 WeakPolarHBondContact CA-O 3.39Å; L157-F169 PolarHBondContact N-O 3.33Å; L157-F169 PolarHBondContact O-N 2.89Å; A159-F169 HydrophobicContact CB-CD2 4.34Å; A159-F169 HydrophobicContact CB-CE2 4.16Å; R167-F169 HydrophobicContact CB-CD2 4.13Å; R167-F169 HydrophobicContact CB-CE2 3.54Å; R167-F169 HydrophobicContact CB-CZ 3.98Å; R167-F169 VanDerWaalsContact CD-CZ 3.41Å; R167-F169 HydrophobicContact CG-CE2 4.33Å; R167-F169 HydrophobicContact CG-CZ 4.36Å; F169-E193 CarbonylContact C-O 3.58Å; F169-E193 WeakPolarHBondContact CA-O 3.43Å; F169-V194 HydrophobicContact CD1-CG2 3.92Å; F169-V194 HydrophobicContact CE1-CG2 3.62Å
170S98.6Very high97Very high0 Ų042.9 Ų42.90%020%0.199CC..EExtended strand (participates in β ladder)trans-81.2121.7157.6173.60000110.3Y172 M189 P190 G192 E193S170-Y172 WeakPolarHBondContact OG-CB 3.48Å; S170-Y172 PolarHBondContact OG-N 3.49Å; S170-M189 PolarHBondContact OG-O 2.82Å; S170-P190 WeakPolarHBondContact CB-O 3.25Å; S170-P190 PolarHBondContact OG-O 2.85Å; S170-G192 PolarHBondContact O-N 3.49Å; S170-E193 PolarHBondContact N-O 3.49Å
171A98.6Very high96.8Very high0 Ų045.1 Ų45.10%022%0.223CC..  trans-105.934.6168.400000111.1K110 I122 I137 W150 V155 L157 I173K110-A171 PolarHBondContact NZ-O 3.22Å; I122-A171 HydrophobicContact CD1-CB 3.75Å; I122-A171 HydrophobicContact CG1-CB 3.92Å; I122-A171 HydrophobicContact CG2-CB 4.33Å; I137-A171 HydrophobicContact CD1-CB 4.21Å; W150-A171 HydrophobicContact CH2-CB 3.57Å; W150-A171 HydrophobicContact CZ3-CB 3.64Å; V155-A171 PolarHBondContact O-N 2.86Å; L157-A171 HydrophobicContact CB-CB 4.24Å; L157-A171 HydrophobicContact CD2-CB 4.47Å; A171-I173 PolarHBondContact O-N 3.07Å
172Y98.6Very high96.7Very high49 Ų4950.2 Ų50.219%0.19226%0.256CS..  trans-61.6127.4177.9174.3-131.1000111.9S170 K174 E177 E178 M189 F191S170-Y172 WeakPolarHBondContact OG-CB 3.48Å; S170-Y172 PolarHBondContact OG-N 3.49Å; Y172-K174 HydrophobicContact CE1-CB 4.14Å; Y172-K174 WeakPolarHBondContact OH-CB 3.28Å; Y172-E177 HydrophobicContact CD2-CG 3.86Å; Y172-E177 WeakPolarHBondContact CD2-OE2 3.2Å; Y172-E177 HydrophobicContact CE2-CG 3.87Å; Y172-E178 WeakPolarHBondContact CE2-O 3.36Å; Y172-M189 WeakPolarHBondContact CB-O 3.32Å; Y172-F191 WeakPolarHBondContact O-CB 3.5Å; Y172-F191 WeakPolarHBondContact O-CD2 3.37Å
173I98.2Very high96.7Very high0 Ų050.4 Ų50.40%026%0.256CS..  trans-124.199.5177.6-55.8-66.1000108.2K110 I122 Y124 K135 A171 E175 V176 E177 F191K110-I173 HydrophobicContact CD-CG1 4.02Å; I122-I173 HydrophobicContact CG2-CD1 3.97Å; I122-I173 HydrophobicContact CG2-CG1 3.96Å; Y124-I173 HydrophobicContact CD1-CD1 4.29Å; Y124-I173 HydrophobicContact CD1-CG1 4.27Å; Y124-I173 HydrophobicContact CD1-CG2 3.71Å; Y124-I173 HydrophobicContact CD2-CG2 4.34Å; Y124-I173 HydrophobicContact CE1-CD1 4.23Å; Y124-I173 HydrophobicContact CE1-CG2 3.64Å; Y124-I173 HydrophobicContact CE2-CG2 4.29Å; Y124-I173 HydrophobicContact CG-CG2 4.06Å; K135-I173 HydrophobicContact CB-CD1 4.47Å; K135-I173 HydrophobicContact CD-CD1 3.87Å; A171-I173 PolarHBondContact O-N 3.07Å; I173-E175 HydrophobicContact CG2-CB 4.24Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.42Å; I173-E175 PolarHBondContact O-N 3.16Å; I173-V176 HydrophobicContact CB-CG2 3.76Å; I173-V176 HydrophobicContact CG2-CG2 3.7Å; I173-V176 PolarHBondContact O-N 2.76Å; I173-V176 VanDerWaalsContact O-N 3.07Å; I173-E177 WeakPolarHBondContact O-CG 3.44Å; I173-E177 PolarHBondContact O-N 2.82Å; I173-F191 HydrophobicContact CD1-CD2 3.65Å; I173-F191 HydrophobicContact CD1-CE2 3.63Å
174K96.7Very high96.7Very high150 Ų15052.1 Ų52.165%0.65227%0.268SS*.THydrogen-bonded Turntrans-53.7-26.6-176.967.2172.4-174.3172.60114Y172Y172-K174 HydrophobicContact CE1-CB 4.14Å; Y172-K174 WeakPolarHBondContact OH-CB 3.28Å
175E95.4Very high96.7Very high88 Ų8848.5 Ų48.541%0.41125%0.252SS..THydrogen-bonded Turntrans-76-21.3-175.7-59.885.2176.500113.1Y124 K135 I173Y124-E175 HydrophobicContact CE2-CB 4.3Å; K135-E175 IonicContact NZ-OE1 3.81Å; K135-E175 PolarHBondContact NZ-OE1 3.07Å; K135-E175 IonicContact NZ-OE2 3.92Å; K135-E175 PolarHBondContact NZ-OE2 2.65Å; I173-E175 HydrophobicContact CG2-CB 4.24Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.42Å; I173-E175 PolarHBondContact O-N 3.16Å
176V96.6Very high96.6Very high40 Ų4048.1 Ų48.124%0.24226%0.257CS..THydrogen-bonded Turntrans-127.10.1-174.9-57.60000114.2N109 Y124 I173N109-V176 PolarHBondContact ND2-O 3.4Å; Y124-V176 HydrophobicContact CD2-CG1 3.54Å; Y124-V176 HydrophobicContact CE2-CG1 4.3Å; Y124-V176 HydrophobicContact CG-CG1 4.05Å; I173-V176 HydrophobicContact CB-CG2 3.76Å; I173-V176 HydrophobicContact CG2-CG2 3.7Å; I173-V176 PolarHBondContact O-N 2.76Å; I173-V176 VanDerWaalsContact O-N 3.07Å
177E95.9Very high96.4Very high23 Ų2352.2 Ų52.211%0.10729%0.286CS..SBendtrans-156.2157.3175.569.8-161.933.600113.5N109 K110 N154 V155 Y172 I173N109-E177 PolarHBondContact ND2-OE1 2.8Å; K110-E177 WeakPolarHBondContact CE-OE1 3.39Å; K110-E177 IonicContact NZ-OE1 2.7Å; K110-E177 PolarHBondContact NZ-OE1 3.47Å; K110-E177 IonicContact NZ-OE2 3.54Å; K110-E177 PolarHBondContact NZ-OE2 3.36Å; N154-E177 PolarHBondContact ND2-OE1 3.36Å; V155-E177 VanDerWaalsContact CG2-OE2 3.23Å; V155-E177 WeakPolarHBondContact CG2-OE2 3.45Å; Y172-E177 HydrophobicContact CD2-CG 3.86Å; Y172-E177 WeakPolarHBondContact CD2-OE2 3.2Å; Y172-E177 HydrophobicContact CE2-CG 3.87Å; I173-E177 WeakPolarHBondContact O-CG 3.44Å; I173-E177 PolarHBondContact O-N 2.82Å
178E95.7Very high96.3Very high170 Ų17060.2 Ų60.279%0.79432%0.321SS*.PPolyproline II helixtrans-68158.8176.1-63.5-179.9175.500112.4Y172Y172-E178 WeakPolarHBondContact CE2-O 3.36Å
179K95.8Very high96.2Very high181 Ų18160.8 Ų60.879%0.78732%0.324SS*.PPolyproline II helixtrans-59.8127.1177.2-174.4-180179.1-1780110
180P95.2Very high96.1Very high28 Ų2864 Ų6418%0.18235%0.345CS..PPolyproline II helixtrans-68.3145.4-179.128.8-37000112V155 M189V155-P180 HydrophobicContact CB-CB 4.36Å; V155-P180 HydrophobicContact CG1-CB 4.37Å; V155-P180 HydrophobicContact CG1-CG 4.13Å; V155-P180 HydrophobicContact CG2-CB 3.79Å; V155-P180 HydrophobicContact CG2-CG 4.21Å; P180-M189 HydrophobicContact CB-SD 3.9Å; P180-M189 HydrophobicContact CG-CB 3.93Å; P180-M189 HydrophobicContact CG-CG 4.49Å; P180-M189 HydrophobicContact CG-SD 3.86Å
181G94.8Very high96.1Very high48 Ų4867.2 Ų67.250%0.49536%0.359SS..PPolyproline II helixtrans-72.6167.3164.200000112.1M189G181-M189 WeakPolarHBondContact O-CE 3.46Å
182P96.2Very high96.1Very high107 Ų10768.3 Ų68.370%0.69537%0.37SS*.PPolyproline II helixtrans-64.4149177.929.2-35.1000111.7
183T96.3Very high96.1Very high26 Ų2670.3 Ų70.316%0.1638%0.381CS..BIsolated β-bridgetrans-124169.9170.762.60000109.7L156 W185 G186 M189L156-T183 HydrophobicContact CD1-CG2 4.15Å; L156-T183 WeakPolarHBondContact CD1-OG1 3.32Å; T183-W185 PolarHBondContact O-N 3.26Å; T183-W185 VanDerWaalsContact O-N 3.12Å; T183-W185 PolarHBondContact OG1-N 3.13Å; T183-G186 PolarHBondContact N-O 3.3Å; T183-G186 CarbonylContact O-C 3.56Å; T183-G186 PolarHBondContact O-N 2.8Å; T183-G186 PolarHBondContact OG1-O 2.89Å; T183-M189 HydrophobicContact CG2-CE 3.86Å
184P95.3Very high96Very high51 Ų5172.6 Ų72.633%0.33140%0.395SS..THydrogen-bonded Turntrans-57.8-22.6171.6-28.138.6000114G186 N225 G241 G242P184-G186 VanDerWaalsContact C-N 3.35Å; P184-N225 WeakPolarHBondContact CG-OD1 3.4Å; P184-G241 VanDerWaalsContact CB-C 3.48Å; P184-G242 WeakPolarHBondContact O-CA 3.17Å; P184-G242 PolarHBondContact O-N 3.24Å
185W95.5Very high95.9Very high21 Ų2166.9 Ų66.98%0.0837%0.372CS..THydrogen-bonded Turntrans-77.2-18.7176.5-56.7102.2000113.7L156 V168 T183 L195 F196 F220 G224 N225 L227 A239L156-W185 HydrophobicContact CD1-CB 3.89Å; L156-W185 HydrophobicContact CD1-CG 3.98Å; V168-W185 HydrophobicContact CG2-CE3 4.47Å; T183-W185 PolarHBondContact O-N 3.26Å; T183-W185 VanDerWaalsContact O-N 3.12Å; T183-W185 PolarHBondContact OG1-N 3.13Å; W185-L195 HydrophobicContact CB-CB 4.24Å; W185-L195 HydrophobicContact CB-CD1 4.12Å; W185-L195 WeakPolarHBondContact O-CD1 3.33Å; W185-F196 HydrophobicContact CE3-CB 3.91Å; W185-F196 HydrophobicContact CE3-CD2 4.49Å; W185-F196 HydrophobicContact CE3-CG 4.3Å; W185-F196 HydrophobicContact CZ3-CB 3.97Å; W185-F196 HydrophobicContact CZ3-CD1 4.45Å; W185-F196 AromaticContact CZ3-CD2 3.88Å; W185-F196 HydrophobicContact CZ3-CD2 3.88Å; W185-F196 AromaticContact CZ3-CG 3.85Å; W185-F196 HydrophobicContact CZ3-CG 3.85Å; W185-F220 AromaticContact CE2-CE1 3.91Å; W185-F220 HydrophobicContact CZ2-CE1 4Å; W185-F220 AromaticContact NE1-CE1 3.72Å; W185-G224 PolarHBondContact NE1-O 3.21Å; W185-N225 WeakPolarHBondContact CZ2-O 3.4Å; W185-L227 HydrophobicContact CH2-CB 3.85Å; W185-L227 HydrophobicContact CZ2-CB 3.95Å; W185-A239 HydrophobicContact CH2-CB 3.97Å; W185-A239 HydrophobicContact CZ3-CB 4.34Å
186G93.5Very high95.8Very high26 Ų2664.1 Ų64.127%0.26836%0.358SS..BIsolated β-bridgetrans153.2167.8177.800000113.7T183 P184 M189T183-G186 PolarHBondContact N-O 3.3Å; T183-G186 CarbonylContact O-C 3.56Å; T183-G186 PolarHBondContact O-N 2.8Å; T183-G186 PolarHBondContact OG1-O 2.89Å; P184-G186 VanDerWaalsContact C-N 3.35Å; G186-M189 WeakPolarHBondContact O-CE 3.47Å
187S93.3Very high95.7Very high87 Ų8764.7 Ų64.761%0.60836%0.358SS*.SBendtrans-105.3-20.4-178.658.40000114
188K95Very high95.4Very high168 Ų16864.3 Ų64.373%0.7336%0.358SS*.  trans-105.9116.9178.6-68.4-179.2179.9178.40109P190K188-P190 VanDerWaalsContact C-CD 3.41Å
189M96.4Very high94.5Very high12 Ų1258.9 Ų58.96%0.05935%0.348CS..  trans-128.251.6-176.2-64.2176.1-14100112.3V155 L156 S170 Y172 P180 G181 T183 G186 L195V155-M189 HydrophobicContact CG1-CB 4.41Å; V155-M189 HydrophobicContact CG1-SD 4.16Å; L156-M189 HydrophobicContact CD2-CG 4.14Å; L156-M189 HydrophobicContact CD2-SD 3.82Å; L156-M189 HydrophobicContact CG-SD 4.22Å; S170-M189 PolarHBondContact OG-O 2.82Å; Y172-M189 WeakPolarHBondContact CB-O 3.32Å; P180-M189 HydrophobicContact CB-SD 3.9Å; P180-M189 HydrophobicContact CG-CB 3.93Å; P180-M189 HydrophobicContact CG-CG 4.49Å; P180-M189 HydrophobicContact CG-SD 3.86Å; G181-M189 WeakPolarHBondContact O-CE 3.46Å; T183-M189 HydrophobicContact CG2-CE 3.86Å; G186-M189 WeakPolarHBondContact O-CE 3.47Å; M189-L195 HydrophobicContact CG-CD1 3.98Å
190P97.4Very high92.7Very high69 Ų6951.6 Ų51.645%0.44832%0.324SS..  trans-62155.5169.729.5-31.6000110.3S170 K188 G192 E193S170-P190 WeakPolarHBondContact CB-O 3.25Å; S170-P190 PolarHBondContact OG-O 2.85Å; K188-P190 VanDerWaalsContact C-CD 3.41Å; P190-G192 PolarHBondContact O-N 3.08Å; P190-E193 HydrophobicContact CG-CB 3.97Å; P190-E193 HydrophobicContact CG-CG 4.37Å; P190-E193 VanDerWaalsContact O-CB 3.32Å; P190-E193 WeakPolarHBondContact O-CB 3.35Å; P190-E193 PolarHBondContact O-N 3.2Å; P190-E193 VanDerWaalsContact O-N 3.13Å
191F98.4Very high89.9Confident68 Ų6856.8 Ų56.830%0.29836%0.361SS..THydrogen-bonded Turntrans-55.4128-179.3179.6-94.7000111.7I122 K135 I137 Y172 I173 E193I122-F191 HydrophobicContact CB-CE2 4.02Å; I122-F191 HydrophobicContact CB-CZ 4.41Å; I122-F191 HydrophobicContact CG1-CE2 3.81Å; I122-F191 HydrophobicContact CG1-CZ 4.14Å; I122-F191 HydrophobicContact CG2-CE2 4.46Å; K135-F191 HydrophobicContact CB-CE1 3.85Å; K135-F191 HydrophobicContact CB-CE2 3.94Å; K135-F191 HydrophobicContact CB-CZ 3.41Å; K135-F191 VanDerWaalsContact CB-CZ 3.41Å; I137-F191 HydrophobicContact CD1-CE2 4.38Å; I137-F191 HydrophobicContact CD1-CZ 4.38Å; I137-F191 HydrophobicContact CG1-CE1 4.03Å; I137-F191 HydrophobicContact CG1-CE2 4.09Å; I137-F191 HydrophobicContact CG1-CZ 3.6Å; Y172-F191 WeakPolarHBondContact O-CB 3.5Å; Y172-F191 WeakPolarHBondContact O-CD2 3.37Å; I173-F191 HydrophobicContact CD1-CD2 3.65Å; I173-F191 HydrophobicContact CD1-CE2 3.63Å; F191-E193 VanDerWaalsContact C-N 3.35Å
192G97.8Very high87.3Confident23 Ų2358 Ų5824%0.23737%0.374CS..THydrogen-bonded Turntrans84.5-0.9178.300000115.4S170 P190S170-G192 PolarHBondContact O-N 3.49Å; P190-G192 PolarHBondContact O-N 3.08Å
193E97.8Very high84.6Confident90 Ų9058.6 Ų58.642%0.42137%0.371SS..  trans-60.2138.3175.8-169.763.6-163.700111.1F169 S170 P190 F191 L195F169-E193 CarbonylContact C-O 3.58Å; F169-E193 WeakPolarHBondContact CA-O 3.43Å; S170-E193 PolarHBondContact N-O 3.49Å; P190-E193 HydrophobicContact CG-CB 3.97Å; P190-E193 HydrophobicContact CG-CG 4.37Å; P190-E193 VanDerWaalsContact O-CB 3.32Å; P190-E193 WeakPolarHBondContact O-CB 3.35Å; P190-E193 PolarHBondContact O-N 3.2Å; P190-E193 VanDerWaalsContact O-N 3.13Å; F191-E193 VanDerWaalsContact C-N 3.35Å; E193-L195 HydrophobicContact CB-CD2 3.75Å; E193-L195 HydrophobicContact CG-CD2 3.33Å
194V96.2Very high81.6Confident48 Ų4861.6 Ų61.629%0.29140%0.398SS..EExtended strand (participates in β ladder)trans-92113.9173.4-175.20000108.7P140 F169 F196 E197P140-V194 VanDerWaalsContact CD-CG2 3.45Å; P140-V194 HydrophobicContact CG-CG2 4.17Å; F169-V194 HydrophobicContact CD1-CG2 3.92Å; F169-V194 HydrophobicContact CE1-CG2 3.62Å; V194-F196 WeakPolarHBondContact CG1-O 3.2Å; V194-E197 HydrophobicContact CG1-CB 4.3Å
195L94.8Very high78.7Confident31 Ų3163 Ų6316%0.16242%0.415CS..EExtended strand (participates in β ladder)trans-94.9-21.7-179-70.4-116.1000111.8L156 V168 W185 M189 E193L156-L195 HydrophobicContact CD2-CD1 3.89Å; L156-L195 HydrophobicContact CD2-CG 3.85Å; V168-L195 HydrophobicContact CB-CB 4.34Å; V168-L195 HydrophobicContact CG1-CB 4.15Å; V168-L195 PolarHBondContact O-N 3.2Å; W185-L195 HydrophobicContact CB-CB 4.24Å; W185-L195 HydrophobicContact CB-CD1 4.12Å; W185-L195 WeakPolarHBondContact O-CD1 3.33Å; M189-L195 HydrophobicContact CG-CD1 3.98Å; E193-L195 HydrophobicContact CB-CD2 3.75Å; E193-L195 HydrophobicContact CG-CD2 3.33Å
196F94.8Very high76.1Confident29 Ų2968.3 Ų68.313%0.12745%0.452CS..EExtended strand (participates in β ladder)trans-155.1141.4177171.4-98.2000109.8R167 V168 W185 V194 L227 W229 A239 V247R167-F196 CarbonylContact C-O 3.57Å; R167-F196 VanDerWaalsContact CA-O 3.23Å; R167-F196 WeakPolarHBondContact CA-O 3.33Å; V168-F196 HydrophobicContact CB-CB 3.9Å; V168-F196 HydrophobicContact CG2-CB 3.91Å; V168-F196 HydrophobicContact CG2-CD1 4.15Å; V168-F196 HydrophobicContact CG2-CG 4.43Å; V168-F196 PolarHBondContact N-O 3.11Å; V168-F196 PolarHBondContact O-N 3.14Å; W185-F196 HydrophobicContact CE3-CB 3.91Å; W185-F196 HydrophobicContact CE3-CD2 4.49Å; W185-F196 HydrophobicContact CE3-CG 4.3Å; W185-F196 HydrophobicContact CZ3-CB 3.97Å; W185-F196 HydrophobicContact CZ3-CD1 4.45Å; W185-F196 AromaticContact CZ3-CD2 3.88Å; W185-F196 HydrophobicContact CZ3-CD2 3.88Å; W185-F196 AromaticContact CZ3-CG 3.85Å; W185-F196 HydrophobicContact CZ3-CG 3.85Å; V194-F196 WeakPolarHBondContact CG1-O 3.2Å; F196-L227 HydrophobicContact CD1-CD2 4.29Å; F196-L227 HydrophobicContact CE1-CD2 4.42Å; F196-W229 HydrophobicContact CE1-CH2 4.44Å; F196-W229 HydrophobicContact CE1-CZ3 4.36Å; F196-W229 HydrophobicContact CZ-CH2 4.1Å; F196-W229 HydrophobicContact CZ-CZ3 4.3Å; F196-A239 HydrophobicContact CE1-CB 4.2Å; F196-A239 HydrophobicContact CE2-CB 3.8Å; F196-A239 HydrophobicContact CZ-CB 3.55Å; F196-V247 HydrophobicContact CE2-CG2 3.9Å; F196-V247 HydrophobicContact CZ-CG2 3.92Å
197E92.9Very high73.3Confident52 Ų5271.7 Ų71.724%0.24347%0.471CS..EExtended strand (participates in β ladder)trans-140.9126.6168178.2173.4121.600109.1P140 K165 R167 V194 G199P140-E197 WeakPolarHBondContact CG-OE2 3.22Å; K165-E197 HydrophobicContact CD-CG 4.14Å; K165-E197 HydrophobicContact CG-CG 4.47Å; R167-E197 HydrophobicContact CG-CB 4.18Å; R167-E197 HydrophobicContact CG-CG 4.04Å; R167-E197 IonicContact CZ-OE2 2.83Å; R167-E197 IonicContact NE-OE2 3.2Å; R167-E197 PolarHBondContact NE-OE2 2.87Å; R167-E197 IonicContact NH2-OE2 3.06Å; R167-E197 PolarHBondContact NH2-OE2 2.88Å; R167-E197 VanDerWaalsContact NH2-OE2 3.15Å; V194-E197 HydrophobicContact CG1-CB 4.3Å; E197-G199 PolarHBondContact O-N 2.98Å
198S90.6Very high70.7Confident16 Ų1673.4 Ų73.411%0.11248%0.483CS..THydrogen-bonded Turntrans-66.7121.6177.462.20000111.3K165 C166K165-S198 WeakPolarHBondContact CD-O 3.29Å; K165-S198 WeakPolarHBondContact CE-O 3.24Å; K165-S198 PolarHBondContact NZ-O 2.96Å; C166-S198 PolarHBondContact N-OG 2.87Å; C166-S198 PolarHBondContact O-N 3.34Å; C166-S198 PolarHBondContact O-OG 2.99Å
199G76.2Confident67.9Low55 Ų5567.9 Ų67.957%0.56747%0.474SS*.THydrogen-bonded Turntrans72.741.1175.200000115.1K165 E197K165-G199 PolarHBondContact NZ-O 2.83Å; E197-G199 PolarHBondContact O-N 2.98Å
200G57.3Low65.2Low29 Ų2971.2 Ų71.230%0.29951%0.512SS..  trans-103.5165172.400000113.2G202G200-G202 PolarHBondContact O-N 2.9Å
201S38.3Very low62.8Low136 Ų13669.7 Ų69.795%0.95151%0.508SS*.THydrogen-bonded Turntrans-59.288.7-159.756.40000117.1
202G39.2Very low61.5Low74 Ų7469 Ų6976%0.76352%0.52SS*.THydrogen-bonded Turntrans175.1-26.8176.900000110.8G200G200-G202 PolarHBondContact O-N 2.9Å
203D39.7Very low61Low120 Ų12068.2 Ų68.264%0.64251%0.513SS*.SBendtrans-79.4132.9169.8-58.9-35.3000109.4
204A32.9Very low61Low88 Ų8869.8 Ų69.873%0.72752%0.515SS*.  trans-46.4150.8178.500000111.9
205A33.6Very low61.1Low82 Ų8267.5 Ų67.568%0.67850%0.501SS*.SBendtrans-37149.8167.800000112.2S207A205-S207 VanDerWaalsContact C-N 3.28Å; A205-S207 PolarHBondContact O-N 3.3Å
206P41.2Very low61.3Low131 Ų13167.7 Ų67.785%0.85150%0.501SS*.  trans-68.182.6-167.530.3-35.6000111.3
207S35.3Very low61.5Low98 Ų9867.1 Ų67.169%0.68550%0.5SS*.  trans-90.697.2159.755.90000106.7A205A205-S207 VanDerWaalsContact C-N 3.28Å; A205-S207 PolarHBondContact O-N 3.3Å
208S39.6Very low61.7Low122 Ų12265 Ų6585%0.85349%0.491SS*.SBendtrans5699.2167.656.80000117
209G36.3Very low62.1Low52 Ų5264.3 Ų64.354%0.53649%0.486SS..  trans134.4-7.9152.600000118.7G211G209-G211 VanDerWaalsContact C-N 3.34Å; G209-G211 PolarHBondContact O-N 2.88Å
210G37.8Very low63.2Low83 Ų8361.7 Ų61.786%0.85646%0.459SS*.  trans-8077175.700000112.1
211G47.4Very low65.1Low36 Ų3660.3 Ų60.337%0.37145%0.445SS..  trans-61.2137.5-177.100000114G209 G213 D233G209-G211 VanDerWaalsContact C-N 3.34Å; G209-G211 PolarHBondContact O-N 2.88Å; G211-G213 VanDerWaalsContact C-N 3.33Å; G211-G213 PolarHBondContact O-N 3.1Å; G211-D233 WeakPolarHBondContact CA-OD2 3.28Å
212G70.8Confident67.9Low54 Ų5458.5 Ų58.556%0.55742%0.421SS*.  trans-90.438.3-178.100000114.2F164 D233F164-G212 WeakPolarHBondContact CD1-O 3.32Å; F164-G212 VanDerWaalsContact CE1-O 3.26Å; F164-G212 WeakPolarHBondContact CE1-O 3.36Å; G212-D233 PolarHBondContact N-OD2 3.4Å
213G88.7Confident70.7Confident7 Ų757.2 Ų57.27%0.07240%0.401CS..  trans-89.8152.2178.700000113.8F164 G211 V215 D233F164-G213 WeakPolarHBondContact CA-O 3.35Å; F164-G213 VanDerWaalsContact CD1-C 3.49Å; F164-G213 WeakPolarHBondContact CD1-O 3.41Å; G211-G213 VanDerWaalsContact C-N 3.33Å; G211-G213 PolarHBondContact O-N 3.1Å; G213-V215 PolarHBondContact O-N 3.46Å; G213-D233 PolarHBondContact N-OD2 2.91Å
214W97.2Very high73.5Confident123 Ų12351.5 Ų51.547%0.46637%0.37SS..  trans-59.5132.4169.1-58.5-28.7000110L146 C162 F164 H216 S231 H232L146-W214 HydrophobicContact CD1-CB 3.93Å; C162-W214 HydrophobicContact CB-CG 4.2Å; F164-W214 AromaticContact CD1-CD1 3.81Å; F164-W214 AromaticContact CE1-CD1 3.43Å; F164-W214 VanDerWaalsContact CE1-CD1 3.43Å; F164-W214 AromaticContact CE1-NE1 3.72Å; W214-H216 PolarHBondContact O-CD2 3.29Å; W214-H216 PolarHBondContact O-N 3.33Å; W214-S231 CarbonylContact O-C 3.57Å; W214-S231 VanDerWaalsContact O-CA 3.31Å; W214-S231 WeakPolarHBondContact O-CA 3.45Å; W214-H232 HydrophobicContact CB-CB 4.3Å; W214-H232 PolarHBondContact O-N 3.24Å
215V98.1Very high76.5Confident0 Ų050.2 Ų50.20%035%0.351CS..EExtended strand (participates in β ladder)trans-81.7102.1179.2-177.10000109.2L146 G160 S161 C166 G213 V218 W229 T230L146-V215 WeakPolarHBondContact CB-O 3.47Å; L146-V215 WeakPolarHBondContact CD1-O 3.33Å; G160-V215 CarbonylContact C-O 3.52Å; S161-V215 PolarHBondContact O-N 2.79Å; C166-V215 HydrophobicContact CB-CG1 4.4Å; G213-V215 PolarHBondContact O-N 3.46Å; V215-V218 HydrophobicContact CG1-CG1 3.84Å; V215-W229 HydrophobicContact CG1-CB 3.87Å; V215-W229 HydrophobicContact CG1-CG 4.13Å; V215-T230 CarbonylContact C-O 3.52Å; V215-T230 WeakPolarHBondContact CA-O 3.24Å
216H98.6Very high79.5Confident35 Ų3547.5 Ų47.516%0.16232%0.323CS..EExtended strand (participates in β ladder)trans-75.9-40-173.4-73.1-63.8000112.6S147 W214 T230 H232 L258S147-H216 WeakPolarHBondContact CB-O 3.47Å; S147-H216 PolarHBondContact OG-O 3.12Å; S147-H216 VanDerWaalsContact OG-O 3.07Å; W214-H216 PolarHBondContact O-CD2 3.29Å; W214-H216 PolarHBondContact O-N 3.33Å; H216-T230 PolarHBondContact N-O 3.12Å; H216-H232 AromaticContact CD2-ND1 3.92Å; H216-H232 AromaticContact CE1-ND1 3.82Å; H216-H232 VanDerWaalsContact NE2-CB 3.34Å; H216-H232 WeakPolarHBondContact NE2-CB 3.27Å; H216-H232 AromaticContact NE2-CG 3.4Å; H216-H232 AromaticContact NE2-ND1 2.95Å; H216-H232 PolarHBondContact NE2-ND1 3.02Å; H216-L258 HydrophobicContact CB-CD2 4.39Å
217S98.7Very high82.2Confident17 Ų1741.3 Ų41.312%0.11928%0.283CS..EExtended strand (participates in β ladder)trans-143.6145.3-174.7-1720000111.6S147 W229 T230 L258 V260S147-S217 VanDerWaalsContact OG-CA 3.26Å; S147-S217 WeakPolarHBondContact OG-CA 3.4Å; S147-S217 PolarHBondContact OG-N 2.63Å; S217-W229 CarbonylContact O-C 3.53Å; S217-W229 WeakPolarHBondContact O-CA 3.31Å; S217-W229 VanDerWaalsContact O-CB 3.23Å; S217-W229 WeakPolarHBondContact O-CB 2.9Å; S217-T230 PolarHBondContact O-N 3.46Å; S217-L258 WeakPolarHBondContact CB-O 3.41Å; S217-V260 PolarHBondContact OG-N 2.78Å; S217-V260 VanDerWaalsContact OG-N 3.11Å
218V98.8Very high85.2Confident6 Ų636.6 Ų36.64%0.03625%0.25CC..EExtended strand (participates in β ladder)trans-132.3145.4175.8-620000108.8S147 D149 A158 V215 L227 A228 W229S147-V218 PolarHBondContact OG-N 3.38Å; D149-V218 HydrophobicContact CB-CG2 4.17Å; D149-V218 WeakPolarHBondContact CB-O 3.37Å; A158-V218 HydrophobicContact CB-CB 4.19Å; A158-V218 HydrophobicContact CB-CG2 3.92Å; V215-V218 HydrophobicContact CG1-CG1 3.84Å; V218-L227 HydrophobicContact CB-CD1 4.3Å; V218-A228 CarbonylContact C-O 3.59Å; V218-A228 VanDerWaalsContact CA-O 3.31Å; V218-A228 WeakPolarHBondContact CA-O 3.46Å; V218-W229 HydrophobicContact CG1-CB 3.9Å
219C98.8Very high88Confident3 Ų331.4 Ų31.42%0.0221%0.212CC..EExtended strand (participates in β ladder)trans-151.7124.6177.5-173.90000111.9D149 A228 V260 F262D149-C219 WeakPolarHBondContact OD2-CA 3.46Å; C219-A228 PolarHBondContact N-O 2.84Å; C219-A228 PolarHBondContact O-N 2.85Å; C219-V260 HydrophobicContact CB-CG1 4.41Å; C219-F262 VanDerWaalsContact O-CE2 3.31Å; C219-F262 WeakPolarHBondContact O-CE2 3.33Å
220F98.7Very high91Very high0 Ų028.9 Ų28.90%019%0.186CC..EExtended strand (participates in β ladder)trans-74144.5166.9-82.8-69.5000111.3D149 H151 L156 A158 V168 W185 G224 R226 L227 R347D149-F220 PolarHBondContact OD2-N 3.48Å; H151-F220 HydrophobicContact CB-CD2 3.84Å; H151-F220 HydrophobicContact CB-CE1 4.44Å; H151-F220 HydrophobicContact CB-CE2 3.68Å; H151-F220 HydrophobicContact CB-CG 4.26Å; H151-F220 HydrophobicContact CB-CZ 4.01Å; H151-F220 AromaticContact CD2-CD1 3.91Å; H151-F220 AromaticContact CD2-CE1 3.84Å; L156-F220 HydrophobicContact CB-CZ 4.41Å; A158-F220 HydrophobicContact CB-CD2 3.96Å; A158-F220 HydrophobicContact CB-CE2 3.5Å; A158-F220 VanDerWaalsContact CB-CE2 3.5Å; A158-F220 HydrophobicContact CB-CZ 4.06Å; V168-F220 HydrophobicContact CG1-CZ 3.9Å; V168-F220 HydrophobicContact CG2-CE1 4.27Å; V168-F220 HydrophobicContact CG2-CZ 3.76Å; W185-F220 AromaticContact CE2-CE1 3.91Å; W185-F220 HydrophobicContact CZ2-CE1 4Å; W185-F220 AromaticContact NE1-CE1 3.72Å; F220-G224 WeakPolarHBondContact CD1-O 3.39Å; F220-R226 CarbonylContact C-O 3.53Å; F220-R226 WeakPolarHBondContact CA-O 3.27Å; F220-R226 WeakPolarHBondContact CD1-O 3.5Å; F220-L227 HydrophobicContact CD1-CB 4.25Å; F220-L227 HydrophobicContact CD1-CD1 4.33Å; F220-L227 HydrophobicContact CE1-CB 4.19Å; F220-L227 HydrophobicContact CE1-CD1 4.45Å; F220-L227 HydrophobicContact CG-CD1 4.36Å; F220-R347 VanDerWaalsContact O-CD 3.27Å; F220-R347 WeakPolarHBondContact O-CD 3.46Å; F220-R347 PolarHBondContact O-NH1 2.89Å
221S98.3Very high93.8Very high0 Ų025.1 Ų25.10%015%0.147CC..  trans-64.7170.9167.373.50000111.5S223 G224 R226 F262 E265S221-S223 VanDerWaalsContact C-N 3.34Å; S221-S223 PolarHBondContact O-N 2.97Å; S221-S223 PolarHBondContact OG-OG 3.2Å; S221-S223 VanDerWaalsContact OG-OG 3.12Å; S221-G224 PolarHBondContact O-N 2.78Å; S221-G224 PolarHBondContact OG-N 3.33Å; S221-R226 PolarHBondContact N-O 3Å; S221-R226 PolarHBondContact OG-N 3.1Å; S221-F262 VanDerWaalsContact CA-CD2 3.5Å; S221-E265 VanDerWaalsContact CB-OE2 3.31Å; S221-E265 WeakPolarHBondContact CB-OE2 3.42Å; S221-E265 PolarHBondContact OG-OE2 3.49Å
222H97.3Very high96.1Very high98 Ų9827.2 Ų27.245%0.45415%0.147SC..SBendtrans-64.8-38-179.7167.779.4000112.6P152 G224 E265 R347 N348P152-H222 WeakPolarHBondContact CG-O 3.45Å; H222-G224 PolarHBondContact O-N 3.29Å; H222-E265 WeakPolarHBondContact CA-OE1 3.41Å; H222-E265 WeakPolarHBondContact CB-OE1 3.47Å; H222-E265 PolarHBondContact N-OE1 3.19Å; H222-R347 HydrophobicContact CB-CB 3.95Å; H222-N348 HydrophobicContact CB-CB 3.91Å
223S97.1Very high97.1Very high47 Ų4727 Ų2733%0.32913%0.133SC..SBendtrans-68.4-26.2171.866.70000112.2S221 N225 E265S221-S223 VanDerWaalsContact C-N 3.34Å; S221-S223 PolarHBondContact O-N 2.97Å; S221-S223 PolarHBondContact OG-OG 3.2Å; S221-S223 VanDerWaalsContact OG-OG 3.12Å; S223-N225 PolarHBondContact O-N 2.68Å; S223-N225 WeakPolarHBondContact OG-CB 3.36Å; S223-N225 PolarHBondContact OG-N 3.37Å; S223-E265 WeakPolarHBondContact CB-OE2 3.32Å; S223-E265 PolarHBondContact N-OE1 3.26Å; S223-E265 PolarHBondContact OG-OE2 2.96Å
224G97.6Very high97.4Very high0 Ų027.6 Ų27.60%014%0.135CC..SBendtrans79.7-0.9-172.700000113.7H151 W185 F220 S221 H222 R226H151-G224 VanDerWaalsContact CD2-CA 3.45Å; H151-G224 WeakPolarHBondContact CD2-CA 3.09Å; H151-G224 PolarHBondContact CD2-O 2.83Å; H151-G224 WeakPolarHBondContact NE2-CA 3.4Å; H151-G224 PolarHBondContact NE2-O 2.83Å; W185-G224 PolarHBondContact NE1-O 3.21Å; F220-G224 WeakPolarHBondContact CD1-O 3.39Å; S221-G224 PolarHBondContact O-N 2.78Å; S221-G224 PolarHBondContact OG-N 3.33Å; H222-G224 PolarHBondContact O-N 3.29Å; G224-R226 PolarHBondContact O-N 2.76Å
225N96.3Very high97.3Very high60 Ų6022.1 Ų22.132%0.32112%0.116SC..SBendtrans-72.9-16.2179.5-65.1-15000112.6P184 W185 S223 G241P184-N225 WeakPolarHBondContact CG-OD1 3.4Å; W185-N225 WeakPolarHBondContact CZ2-O 3.4Å; S223-N225 PolarHBondContact O-N 2.68Å; S223-N225 WeakPolarHBondContact OG-CB 3.36Å; S223-N225 PolarHBondContact OG-N 3.37Å; N225-G241 PolarHBondContact O-N 2.94Å
226R97.3Very high97.3Very high26 Ų2622.1 Ų22.110%0.09812%0.116CC..EExtended strand (participates in β ladder)trans-125.9148-178.5-60.8170.5-176.9-178.2-8.6111.5F220 S221 G224 V238 A239 E240 F262 E265 N266F220-R226 CarbonylContact C-O 3.53Å; F220-R226 WeakPolarHBondContact CA-O 3.27Å; F220-R226 WeakPolarHBondContact CD1-O 3.5Å; S221-R226 PolarHBondContact N-O 3Å; S221-R226 PolarHBondContact OG-N 3.1Å; G224-R226 PolarHBondContact O-N 2.76Å; R226-V238 HydrophobicContact CB-CG1 4.48Å; R226-A239 CarbonylContact C-O 3.57Å; R226-A239 VanDerWaalsContact CA-O 3.27Å; R226-A239 WeakPolarHBondContact CA-O 3.35Å; R226-E240 HydrophobicContact CG-CB 4.16Å; R226-E240 HydrophobicContact CG-CG 3.99Å; R226-E240 IonicContact CZ-OE1 2.7Å; R226-E240 IonicContact NE-OE1 3.4Å; R226-E240 PolarHBondContact NE-OE1 3.41Å; R226-E240 IonicContact NE-OE2 2.68Å; R226-E240 IonicContact NH2-OE1 3.15Å; R226-E240 PolarHBondContact NH2-OE1 3.08Å; R226-E240 IonicContact NH2-OE2 2.74Å; R226-F262 HydrophobicContact CB-CZ 3.9Å; R226-E265 PolarHBondContact NH1-O 3.34Å; R226-N266 PolarHBondContact NH1-OD1 3.13Å
227L98.1Very high97.2Very high0 Ų020.6 Ų20.60%011%0.109CC..EExtended strand (participates in β ladder)trans-130121177.5176.359000109.3A158 C166 V168 W185 F196 V218 F220 V238 A239A158-L227 HydrophobicContact CB-CD1 3.52Å; A158-L227 HydrophobicContact CB-CD2 3.97Å; A158-L227 HydrophobicContact CB-CG 4.42Å; C166-L227 VanDerWaalsContact SG-CD2 3.56Å; V168-L227 HydrophobicContact CG2-CD2 3.46Å; V168-L227 VanDerWaalsContact CG2-CD2 3.46Å; W185-L227 HydrophobicContact CH2-CB 3.85Å; W185-L227 HydrophobicContact CZ2-CB 3.95Å; F196-L227 HydrophobicContact CD1-CD2 4.29Å; F196-L227 HydrophobicContact CE1-CD2 4.42Å; V218-L227 HydrophobicContact CB-CD1 4.3Å; F220-L227 HydrophobicContact CD1-CB 4.25Å; F220-L227 HydrophobicContact CD1-CD1 4.33Å; F220-L227 HydrophobicContact CE1-CB 4.19Å; F220-L227 HydrophobicContact CE1-CD1 4.45Å; F220-L227 HydrophobicContact CG-CD1 4.36Å; L227-V238 CarbonylContact O-C 3.58Å; L227-V238 WeakPolarHBondContact O-CA 3.34Å; L227-A239 PolarHBondContact N-O 2.85Å; L227-A239 PolarHBondContact O-N 2.86Å
228A98.3Very high97.1Very high0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-102149.5172.800000110.8V218 C219 S237 V238 V260 F262 L268V218-A228 CarbonylContact C-O 3.59Å; V218-A228 VanDerWaalsContact CA-O 3.31Å; V218-A228 WeakPolarHBondContact CA-O 3.46Å; C219-A228 PolarHBondContact N-O 2.84Å; C219-A228 PolarHBondContact O-N 2.85Å; A228-S237 CarbonylContact C-O 3.5Å; A228-S237 WeakPolarHBondContact CA-O 3.44Å; A228-V238 HydrophobicContact CB-CG2 3.94Å; A228-V260 HydrophobicContact CB-CG2 4.36Å; A228-F262 HydrophobicContact CB-CD2 4.32Å; A228-F262 HydrophobicContact CB-CE2 3.57Å; A228-F262 HydrophobicContact CB-CZ 3.92Å; A228-L268 HydrophobicContact CB-CD1 3.98Å; A228-L268 HydrophobicContact CB-CD2 3.54Å; A228-L268 HydrophobicContact CB-CG 4.44Å
229W98.5Very high96.9Very high12 Ų1219.5 Ų19.55%0.04510%0.102CC..EExtended strand (participates in β ladder)trans-148.3159.6169.869.894.8000112.7C166 F196 V215 S217 V218 S237 A239 V247C166-W229 HydrophobicContact CB-CB 4.35Å; C166-W229 HydrophobicContact CB-CD2 3.7Å; C166-W229 HydrophobicContact CB-CE3 4.14Å; C166-W229 HydrophobicContact CB-CG 3.82Å; F196-W229 HydrophobicContact CE1-CH2 4.44Å; F196-W229 HydrophobicContact CE1-CZ3 4.36Å; F196-W229 HydrophobicContact CZ-CH2 4.1Å; F196-W229 HydrophobicContact CZ-CZ3 4.3Å; V215-W229 HydrophobicContact CG1-CB 3.87Å; V215-W229 HydrophobicContact CG1-CG 4.13Å; S217-W229 CarbonylContact O-C 3.53Å; S217-W229 WeakPolarHBondContact O-CA 3.31Å; S217-W229 VanDerWaalsContact O-CB 3.23Å; S217-W229 WeakPolarHBondContact O-CB 2.9Å; V218-W229 HydrophobicContact CG1-CB 3.9Å; W229-S237 PolarHBondContact N-O 2.83Å; W229-S237 PolarHBondContact O-N 2.86Å; W229-A239 HydrophobicContact CH2-CB 4.2Å; W229-A239 HydrophobicContact CZ3-CB 3.75Å; W229-V247 HydrophobicContact CH2-CG1 3.62Å; W229-V247 HydrophobicContact CH2-CG2 4.36Å; W229-V247 HydrophobicContact CZ2-CG1 4.09Å
230T98.3Very high96.7Very high0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans-120.9143173.162.40000111.3V215 H216 S217 T235 V236 L257 V260 A270V215-T230 CarbonylContact C-O 3.52Å; V215-T230 WeakPolarHBondContact CA-O 3.24Å; H216-T230 PolarHBondContact N-O 3.12Å; S217-T230 PolarHBondContact O-N 3.46Å; T230-T235 WeakPolarHBondContact CA-O 2.96Å; T230-V236 HydrophobicContact CG2-CG2 4.2Å; T230-L257 WeakPolarHBondContact CB-O 3.46Å; T230-L257 HydrophobicContact CG2-CB 3.72Å; T230-L257 HydrophobicContact CG2-CD1 4.1Å; T230-L257 PolarHBondContact OG1-O 2.87Å; T230-V260 HydrophobicContact CG2-CB 3.75Å; T230-V260 HydrophobicContact CG2-CG1 3.99Å; T230-V260 HydrophobicContact CG2-CG2 4.41Å; T230-A270 HydrophobicContact CG2-CB 4.28Å
231S97Very high96Very high4 Ų422.2 Ų22.23%0.02812%0.118CC..EExtended strand (participates in β ladder)trans-123.6156.8-176.7-67.40000112W214 D233 S234 T235W214-S231 CarbonylContact O-C 3.57Å; W214-S231 VanDerWaalsContact O-CA 3.31Å; W214-S231 WeakPolarHBondContact O-CA 3.45Å; S231-D233 WeakPolarHBondContact CB-OD1 3.35Å; S231-D233 PolarHBondContact O-N 3.33Å; S231-D233 VanDerWaalsContact O-N 3.12Å; S231-S234 PolarHBondContact O-N 2.87Å; S231-T235 PolarHBondContact N-O 2.89Å; S231-T235 VanDerWaalsContact N-O 3.07Å
232H96.2Very high95.2Very high80 Ų8024 Ų2437%0.3714%0.136SC..THydrogen-bonded Turntrans-67.3-8.4-178.5-156.859.9000114.7W214 H216 S234 P256W214-H232 HydrophobicContact CB-CB 4.3Å; W214-H232 PolarHBondContact O-N 3.24Å; H216-H232 AromaticContact CD2-ND1 3.92Å; H216-H232 AromaticContact CE1-ND1 3.82Å; H216-H232 VanDerWaalsContact NE2-CB 3.34Å; H216-H232 WeakPolarHBondContact NE2-CB 3.27Å; H216-H232 AromaticContact NE2-CG 3.4Å; H216-H232 AromaticContact NE2-ND1 2.95Å; H216-H232 PolarHBondContact NE2-ND1 3.02Å; H232-S234 PolarHBondContact O-N 2.85Å; H232-P256 WeakPolarHBondContact O-CG 3.36Å
233D92.1Very high93.6Very high49 Ų4929.8 Ų29.826%0.26216%0.16SC..THydrogen-bonded Turntrans-8720.1174.452.324.3000112.8G211 G212 G213 S231 T235G211-D233 WeakPolarHBondContact CA-OD2 3.28Å; G212-D233 PolarHBondContact N-OD2 3.4Å; G213-D233 PolarHBondContact N-OD2 2.91Å; S231-D233 WeakPolarHBondContact CB-OD1 3.35Å; S231-D233 PolarHBondContact O-N 3.33Å; S231-D233 VanDerWaalsContact O-N 3.12Å; D233-T235 VanDerWaalsContact C-N 3.27Å; D233-T235 PolarHBondContact O-N 3.3Å; D233-T235 WeakPolarHBondContact OD1-CB 3.5Å; D233-T235 VanDerWaalsContact OD1-CG2 3.31Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.36Å; D233-T235 PolarHBondContact OD1-N 3.23Å; D233-T235 VanDerWaalsContact OD1-N 3.14Å; D233-T235 PolarHBondContact OD1-OG1 3.07Å
234S95.1Very high92Very high19 Ų1933.2 Ų33.213%0.13318%0.179CC..SBendtrans61.627.7-177.2-65.10000114.4S231 H232 S252 T254S231-S234 PolarHBondContact O-N 2.87Å; H232-S234 PolarHBondContact O-N 2.85Å; S234-S252 WeakPolarHBondContact O-CB 3.37Å; S234-S252 PolarHBondContact O-N 3.05Å; S234-T254 WeakPolarHBondContact CB-O 3.25Å; S234-T254 PolarHBondContact OG-O 3.45Å
235T95.4Very high90.7Very high8 Ų835.6 Ų35.65%0.04920%0.203CC..EExtended strand (participates in β ladder)trans-100.4144.5174.7650000113.4T230 S231 D233 L250T230-T235 WeakPolarHBondContact CA-O 2.96Å; S231-T235 PolarHBondContact N-O 2.89Å; S231-T235 VanDerWaalsContact N-O 3.07Å; D233-T235 VanDerWaalsContact C-N 3.27Å; D233-T235 PolarHBondContact O-N 3.3Å; D233-T235 WeakPolarHBondContact OD1-CB 3.5Å; D233-T235 VanDerWaalsContact OD1-CG2 3.31Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.36Å; D233-T235 PolarHBondContact OD1-N 3.23Å; D233-T235 VanDerWaalsContact OD1-N 3.14Å; D233-T235 PolarHBondContact OD1-OG1 3.07Å; T235-L250 WeakPolarHBondContact CA-O 3.46Å
236V96.7Very high90.2Very high0 Ų035.3 Ų35.30%020%0.204CC..EExtended strand (participates in β ladder)trans-108.6133.2160.2-174.40000107.3T230 S249 L250 L257 L268 Y280 L289T230-V236 HydrophobicContact CG2-CG2 4.2Å; V236-S249 CarbonylContact O-C 3.49Å; V236-S249 WeakPolarHBondContact O-CA 3.16Å; V236-L250 PolarHBondContact N-O 3.06Å; V236-L250 PolarHBondContact O-N 2.84Å; V236-L257 HydrophobicContact CG2-CD1 3.18Å; V236-L268 HydrophobicContact CG1-CD1 4.3Å; V236-Y280 HydrophobicContact CG2-CD1 4.22Å; V236-Y280 HydrophobicContact CG2-CD2 4.15Å; V236-Y280 HydrophobicContact CG2-CE1 3.87Å; V236-Y280 HydrophobicContact CG2-CE2 3.82Å; V236-Y280 HydrophobicContact CG2-CG 4.34Å; V236-L289 HydrophobicContact CG1-CD1 4.41Å; V236-L289 WeakPolarHBondContact O-CD1 3.44Å
237S96.8Very high89.9Confident3 Ų337.2 Ų37.22%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-130.7150.4178.3-57.60000111.4A228 W229 C248 S249A228-S237 CarbonylContact C-O 3.5Å; A228-S237 WeakPolarHBondContact CA-O 3.44Å; W229-S237 PolarHBondContact N-O 2.83Å; W229-S237 PolarHBondContact O-N 2.86Å; S237-C248 CarbonylContact C-O 3.58Å; S237-C248 WeakPolarHBondContact CA-O 3.09Å; S237-C248 WeakPolarHBondContact CB-O 3.41Å; S237-S249 WeakPolarHBondContact OG-CB 3.49Å; S237-S249 PolarHBondContact OG-OG 2.64Å
238V96.9Very high89.6Confident0 Ų037.9 Ų37.90%022%0.222CC..EExtended strand (participates in β ladder)trans-130.9132.1173.6172.30000109R226 L227 A228 V247 C248 L268 Y282 L289R226-V238 HydrophobicContact CB-CG1 4.48Å; L227-V238 CarbonylContact O-C 3.58Å; L227-V238 WeakPolarHBondContact O-CA 3.34Å; A228-V238 HydrophobicContact CB-CG2 3.94Å; V238-V247 WeakPolarHBondContact O-CA 3.29Å; V238-C248 PolarHBondContact N-O 3.17Å; V238-C248 PolarHBondContact O-N 2.87Å; V238-L268 HydrophobicContact CG2-CD1 3.59Å; V238-Y282 HydrophobicContact CB-CD2 4.13Å; V238-Y282 HydrophobicContact CB-CE2 4.35Å; V238-Y282 HydrophobicContact CB-CG 4.4Å; V238-Y282 HydrophobicContact CG1-CD1 4Å; V238-Y282 HydrophobicContact CG1-CD2 4.02Å; V238-Y282 HydrophobicContact CG1-CE1 4.01Å; V238-Y282 HydrophobicContact CG1-CE2 4.06Å; V238-Y282 HydrophobicContact CG1-CG 3.99Å; V238-L289 HydrophobicContact CB-CD1 4.19Å; V238-L289 HydrophobicContact CG2-CD1 3.95Å; V238-L289 HydrophobicContact CG2-CD2 3.93Å; V238-L289 HydrophobicContact CG2-CG 4.24Å
239A95.2Very high89.3Confident1 Ų140.7 Ų40.71%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-108.7135.9166.600000109.8W185 F196 R226 L227 W229 T246 V247W185-A239 HydrophobicContact CH2-CB 3.97Å; W185-A239 HydrophobicContact CZ3-CB 4.34Å; F196-A239 HydrophobicContact CE1-CB 4.2Å; F196-A239 HydrophobicContact CE2-CB 3.8Å; F196-A239 HydrophobicContact CZ-CB 3.55Å; R226-A239 CarbonylContact C-O 3.57Å; R226-A239 VanDerWaalsContact CA-O 3.27Å; R226-A239 WeakPolarHBondContact CA-O 3.35Å; L227-A239 PolarHBondContact N-O 2.85Å; L227-A239 PolarHBondContact O-N 2.86Å; W229-A239 HydrophobicContact CH2-CB 4.2Å; W229-A239 HydrophobicContact CZ3-CB 3.75Å; A239-T246 VanDerWaalsContact CA-O 3.27Å; A239-T246 WeakPolarHBondContact CA-O 3.41Å; A239-V247 HydrophobicContact CB-CG2 4.05Å
240E93.2Very high89.1Confident46 Ų4642.3 Ų42.322%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-108.9125.6169.6-174.5154.6-14300109.2R226 G245 T246 Y282R226-E240 HydrophobicContact CG-CB 4.16Å; R226-E240 HydrophobicContact CG-CG 3.99Å; R226-E240 IonicContact CZ-OE1 2.7Å; R226-E240 IonicContact NE-OE1 3.4Å; R226-E240 PolarHBondContact NE-OE1 3.41Å; R226-E240 IonicContact NE-OE2 2.68Å; R226-E240 IonicContact NH2-OE1 3.15Å; R226-E240 PolarHBondContact NH2-OE1 3.08Å; R226-E240 IonicContact NH2-OE2 2.74Å; E240-G245 WeakPolarHBondContact O-CA 3.47Å; E240-T246 PolarHBondContact N-O 2.97Å; E240-T246 PolarHBondContact O-N 3.15Å; E240-Y282 PolarHBondContact OE2-OH 2.68Å
241G84.8Confident88.9Confident14 Ų1446.3 Ų46.314%0.14428%0.28CS..  trans-69.6150.317900000111.6P184 N225P184-G241 VanDerWaalsContact CB-C 3.48Å; N225-G241 PolarHBondContact O-N 2.94Å
242G82Confident88.6Confident36 Ų3647.2 Ų47.237%0.37129%0.286SS..SBendtrans157.5-174.1-179.200000112.3P184 T244P184-G242 WeakPolarHBondContact O-CA 3.17Å; P184-G242 PolarHBondContact O-N 3.24Å; G242-T244 VanDerWaalsContact C-N 3.25Å; G242-T244 PolarHBondContact O-N 3.02Å
243K63.7Low88.3Confident221 Ų22153 Ų5396%0.96131%0.313SS*.SBendtrans-61.3-33.6-179.4-72.2-176.7178.4177.90113.1
244T62.1Low88.4Confident119 Ų11952.6 Ų52.673%0.7331%0.312SS*.SBendtrans-12585.7172.750.90000106.1G242 T246G242-T244 VanDerWaalsContact C-N 3.25Å; G242-T244 PolarHBondContact O-N 3.02Å; T244-T246 PolarHBondContact O-N 3.17Å
245G71.3Confident88.4Confident49 Ų4956.1 Ų56.151%0.50533%0.329SS..  trans-55.4124.4178.800000109.7E240E240-G245 WeakPolarHBondContact O-CA 3.47Å
246T84.6Confident88.5Confident55 Ų5556.5 Ų56.534%0.33733%0.332SS..EExtended strand (participates in β ladder)trans-103.1130.3-18051.10000109.2A239 E240 T244A239-T246 VanDerWaalsContact CA-O 3.27Å; A239-T246 WeakPolarHBondContact CA-O 3.41Å; E240-T246 PolarHBondContact N-O 2.97Å; E240-T246 PolarHBondContact O-N 3.15Å; T244-T246 PolarHBondContact O-N 3.17Å
247V91.1Very high88.5Confident66 Ų6656.5 Ų56.540%0.433%0.332SS..EExtended strand (participates in β ladder)trans-110.6132.5171.5178.40000108.6F196 W229 V238 A239F196-V247 HydrophobicContact CE2-CG2 3.9Å; F196-V247 HydrophobicContact CZ-CG2 3.92Å; W229-V247 HydrophobicContact CH2-CG1 3.62Å; W229-V247 HydrophobicContact CH2-CG2 4.36Å; W229-V247 HydrophobicContact CZ2-CG1 4.09Å; V238-V247 WeakPolarHBondContact O-CA 3.29Å; A239-V247 HydrophobicContact CB-CG2 4.05Å
248C92.1Very high88.6Confident13 Ų1357.4 Ų57.49%0.08834%0.336CS..EExtended strand (participates in β ladder)trans-125.7147.5168.670.60000109.7S237 V238 Y282 A287S237-C248 CarbonylContact C-O 3.58Å; S237-C248 WeakPolarHBondContact CA-O 3.09Å; S237-C248 WeakPolarHBondContact CB-O 3.41Å; V238-C248 PolarHBondContact N-O 3.17Å; V238-C248 PolarHBondContact O-N 2.87Å; C248-Y282 WeakPolarHBondContact SG-CE2 3.43Å; C248-A287 WeakPolarHBondContact CB-O 3.31Å
249S93.1Very high88.7Confident59 Ų5957.6 Ų57.641%0.41334%0.338SS..EExtended strand (participates in β ladder)trans-136.2142.8-178.1-60.10000109.5V236 S237V236-S249 CarbonylContact O-C 3.49Å; V236-S249 WeakPolarHBondContact O-CA 3.16Å; S237-S249 WeakPolarHBondContact OG-CB 3.49Å; S237-S249 PolarHBondContact OG-OG 2.64Å
250L94.6Very high88.9Confident46 Ų4658 Ų5824%0.24134%0.34CS..EExtended strand (participates in β ladder)trans-125.4121.4173.3-179.568000108.6T235 V236 Y280 L289 F291T235-L250 WeakPolarHBondContact CA-O 3.46Å; V236-L250 PolarHBondContact N-O 3.06Å; V236-L250 PolarHBondContact O-N 2.84Å; L250-Y280 HydrophobicContact CD2-CD1 3.78Å; L250-Y280 HydrophobicContact CD2-CE1 3.88Å; L250-L289 HydrophobicContact CB-CB 3.85Å; L250-L289 HydrophobicContact CD2-CB 4.49Å; L250-F291 HydrophobicContact CD2-CB 4.23Å
251S93.9Very high89.1Confident85 Ų8556.2 Ų56.259%0.59433%0.332SS*.EExtended strand (participates in β ladder)trans-78.2126.7170-58.30000109.7
252S89Confident89.8Confident23 Ų2355.5 Ų55.516%0.16133%0.325CS..  trans-76.5146.7169.1-168.10000110.1S234 T254S234-S252 WeakPolarHBondContact O-CB 3.37Å; S234-S252 PolarHBondContact O-N 3.05Å; S252-T254 PolarHBondContact O-N 2.81Å; S252-T254 PolarHBondContact OG-N 2.96Å; S252-T254 PolarHBondContact OG-OG1 2.76Å
253E90.1Very high90.5Very high202 Ų20253.9 Ų53.994%0.94431%0.308SS*.SBendtrans-75.9-6.6168.9-62-178.9172.600112.3
254T93.8Very high92.1Very high40 Ų4044.1 Ų44.125%0.24527%0.267CS..SBendtrans-110.6-169.7-172.772.90000112.8S234 S252 D274 M278S234-T254 WeakPolarHBondContact CB-O 3.25Å; S234-T254 PolarHBondContact OG-O 3.45Å; S252-T254 PolarHBondContact O-N 2.81Å; S252-T254 PolarHBondContact OG-N 2.96Å; S252-T254 PolarHBondContact OG-OG1 2.76Å; T254-D274 WeakPolarHBondContact CB-OD2 3.23Å; T254-D274 PolarHBondContact OG1-OD2 3.38Å; T254-M278 HydrophobicContact CG2-CE 4.41Å; T254-M278 WeakPolarHBondContact OG1-CE 3.35Å
255L96.3Very high93.7Very high93 Ų9340.1 Ų40.149%0.48724%0.24SC..SBendtrans-71.8163.9-176.1-61.3175.4000112.3H273 D274L255-H273 HydrophobicContact CB-CB 3.67Å; L255-H273 HydrophobicContact CD1-CB 4Å; L255-H273 HydrophobicContact CG-CB 4.48Å; L255-D274 PolarHBondContact N-OD2 3.28Å
256P96.8Very high94.9Very high16 Ų1639.7 Ų39.710%0.10423%0.226CC..PPolyproline II helixtrans-63.8146.8-174.5-23.633.4000114.5H232 H273H232-P256 WeakPolarHBondContact O-CG 3.36Å; P256-H273 PolarHBondContact O-CD2 2.95Å; P256-H273 PolarHBondContact O-N 3.08Å
257L97.9Very high95.5Very high0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-92.6130.3178.3-61.4164.1000110.4T230 V236 A270 A271 M278 Y280T230-L257 WeakPolarHBondContact CB-O 3.46Å; T230-L257 HydrophobicContact CG2-CB 3.72Å; T230-L257 HydrophobicContact CG2-CD1 4.1Å; T230-L257 PolarHBondContact OG1-O 2.87Å; V236-L257 HydrophobicContact CG2-CD1 3.18Å; L257-A270 HydrophobicContact CB-CB 4.48Å; L257-A270 HydrophobicContact CD1-CB 3.87Å; L257-A270 HydrophobicContact CD2-CB 4.11Å; L257-A270 HydrophobicContact CG-CB 4.39Å; L257-A271 CarbonylContact C-O 3.56Å; L257-M278 HydrophobicContact CD2-SD 4.48Å; L257-Y280 HydrophobicContact CD1-CE2 4.02Å
258L98.6Very high95.8Very high21 Ų2133.9 Ų33.911%0.1119%0.191CC..EExtended strand (participates in β ladder)trans-100.2-21.3-175.7-61.3-179.3000113.1H216 S217 A271 M358H216-L258 HydrophobicContact CB-CD2 4.39Å; S217-L258 WeakPolarHBondContact CB-O 3.41Å; L258-A271 PolarHBondContact N-O 2.78Å; L258-M358 HydrophobicContact CD1-CE 4.06Å
259C98.6Very high96.1Very high5 Ų533.3 Ų33.33%0.03419%0.187CC..EExtended strand (participates in β ladder)trans-144.6145-177.653.40000111.7A270 A271 I340C259-A270 CarbonylContact O-C 3.58Å; C259-A270 WeakPolarHBondContact O-CA 3.18Å; C259-A270 WeakPolarHBondContact O-CB 3.27Å; C259-A271 PolarHBondContact N-O 3.1Å; C259-A271 PolarHBondContact O-N 3.25Å; C259-A271 PolarHBondContact SG-O 3.17Å; C259-A271 VanDerWaalsContact SG-O 3.34Å; C259-I340 HydrophobicContact CB-CD1 4.23Å; C259-I340 HydrophobicContact CB-CG1 4.32Å; C259-I340 WeakPolarHBondContact SG-CD1 3.26Å; C259-I340 VanDerWaalsContact SG-CG1 3.55Å
260V98.7Very high96.3Very high9 Ų930.5 Ų30.56%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-142.214617663.20000111.1S217 C219 A228 T230 L268 V269 A270S217-V260 PolarHBondContact OG-N 2.78Å; S217-V260 VanDerWaalsContact OG-N 3.11Å; C219-V260 HydrophobicContact CB-CG1 4.41Å; A228-V260 HydrophobicContact CB-CG2 4.36Å; T230-V260 HydrophobicContact CG2-CB 3.75Å; T230-V260 HydrophobicContact CG2-CG1 3.99Å; T230-V260 HydrophobicContact CG2-CG2 4.41Å; V260-L268 HydrophobicContact CG2-CB 4.39Å; V260-L268 HydrophobicContact CG2-CD2 4.06Å; V260-V269 CarbonylContact C-O 3.54Å; V260-V269 WeakPolarHBondContact CA-O 3.26Å; V260-A270 HydrophobicContact CB-CB 4.1Å; V260-A270 HydrophobicContact CG2-CB 4.08Å
261T98.6Very high96.5Very high8 Ų828.3 Ų28.35%0.04916%0.155CC..EExtended strand (participates in β ladder)trans-142.6146.1168.7-171.60000110.7I263 L268 V269 I340 M342T261-I263 HydrophobicContact CG2-CG2 4.21Å; T261-L268 CarbonylContact O-C 3.28Å; T261-L268 WeakPolarHBondContact O-CA 3.31Å; T261-V269 HydrophobicContact CG2-CB 4.39Å; T261-V269 PolarHBondContact N-O 2.64Å; T261-V269 PolarHBondContact O-N 3.16Å; T261-I340 HydrophobicContact CG2-CB 4.49Å; T261-I340 HydrophobicContact CG2-CG2 3.51Å; T261-M342 HydrophobicContact CG2-SD 4.04Å
262F98.4Very high96.7Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-68.2137.4159.3-78.6-83.9000110.1C219 S221 R226 A228 T264 E265 L268 R347C219-F262 VanDerWaalsContact O-CE2 3.31Å; C219-F262 WeakPolarHBondContact O-CE2 3.33Å; S221-F262 VanDerWaalsContact CA-CD2 3.5Å; R226-F262 HydrophobicContact CB-CZ 3.9Å; A228-F262 HydrophobicContact CB-CD2 4.32Å; A228-F262 HydrophobicContact CB-CE2 3.57Å; A228-F262 HydrophobicContact CB-CZ 3.92Å; F262-T264 WeakPolarHBondContact CB-O 3.44Å; F262-T264 WeakPolarHBondContact CD1-O 3.45Å; F262-E265 WeakPolarHBondContact CE1-O 3.23Å; F262-L268 HydrophobicContact CB-CD2 4.3Å; F262-L268 HydrophobicContact CD1-CD2 3.39Å; F262-L268 HydrophobicContact CD1-CG 4.08Å; F262-L268 HydrophobicContact CD2-CD2 3.64Å; F262-L268 HydrophobicContact CE1-CD2 3.49Å; F262-L268 VanDerWaalsContact CE1-CD2 3.49Å; F262-L268 HydrophobicContact CE1-CG 4.02Å; F262-L268 HydrophobicContact CE2-CD2 3.73Å; F262-L268 HydrophobicContact CG-CD2 3.5Å; F262-L268 VanDerWaalsContact CG-CD2 3.5Å; F262-L268 HydrophobicContact CZ-CD2 3.67Å; F262-L268 HydrophobicContact CZ-CG 4.46Å; F262-R347 HydrophobicContact CB-CB 4.25Å
263I97.5Very high97.2Very high2 Ų225.9 Ų25.91%0.0113%0.132CC..SBendtrans-111.2-21170.656.3158000112.1T261 S267 V269 L279 M342 R347 C350 I379T261-I263 HydrophobicContact CG2-CG2 4.21Å; I263-S267 VanDerWaalsContact CG1-O 3.24Å; I263-S267 WeakPolarHBondContact CG1-O 3.31Å; I263-S267 PolarHBondContact N-O 3.34Å; I263-V269 HydrophobicContact CB-CG2 4.47Å; I263-V269 HydrophobicContact CD1-CG2 3.78Å; I263-V269 HydrophobicContact CG1-CG2 4.09Å; I263-V269 HydrophobicContact CG2-CB 4.17Å; I263-V269 HydrophobicContact CG2-CG2 3.6Å; I263-L279 HydrophobicContact CD1-CD1 3.92Å; I263-M342 HydrophobicContact CG2-SD 4.23Å; I263-R347 CarbonylContact C-O 3.48Å; I263-C350 HydrophobicContact CB-CB 3.45Å; I263-C350 VanDerWaalsContact CB-CB 3.45Å; I263-C350 HydrophobicContact CG2-CB 3.73Å; I263-C350 VanDerWaalsContact O-CB 3.29Å; I263-C350 WeakPolarHBondContact O-CB 3.39Å; I263-C350 PolarHBondContact O-N 3.18Å; I263-I379 HydrophobicContact CD1-CD1 4Å; I263-I379 HydrophobicContact CD1-CG1 4.28Å; I263-I379 HydrophobicContact CD1-CG2 3.96Å
264T96.9Very high97.5Very high16 Ų1617.5 Ų17.510%0.0989%0.094CC..SBendtrans-140.5-174.2164.168.20000107.8F262 N266 S267 R347 N348 I379 V380F262-T264 WeakPolarHBondContact CB-O 3.44Å; F262-T264 WeakPolarHBondContact CD1-O 3.45Å; T264-N266 PolarHBondContact O-N 3.29Å; T264-N266 PolarHBondContact OG1-N 3.15Å; T264-S267 PolarHBondContact N-O 2.95Å; T264-S267 WeakPolarHBondContact OG1-CB 3.45Å; T264-S267 PolarHBondContact OG1-N 3.48Å; T264-S267 PolarHBondContact OG1-OG 3.21Å; T264-R347 CarbonylContact C-O 3.59Å; T264-R347 VanDerWaalsContact C-O 3.28Å; T264-R347 WeakPolarHBondContact CA-O 3.31Å; T264-R347 PolarHBondContact N-O 2.91Å; T264-N348 WeakPolarHBondContact CA-O 3.4Å; T264-I379 HydrophobicContact CG2-CG2 3.66Å; T264-V380 WeakPolarHBondContact CB-O 3.26Å; T264-V380 PolarHBondContact OG1-O 3Å
265E95.5Very high97.6Very high35 Ų3516 Ų1616%0.1649%0.085CC..SBendtrans-64.8-24.9171.4-77.3-59.1124.600114.2S221 H222 S223 R226 F262S221-E265 VanDerWaalsContact CB-OE2 3.31Å; S221-E265 WeakPolarHBondContact CB-OE2 3.42Å; S221-E265 PolarHBondContact OG-OE2 3.49Å; H222-E265 WeakPolarHBondContact CA-OE1 3.41Å; H222-E265 WeakPolarHBondContact CB-OE1 3.47Å; H222-E265 PolarHBondContact N-OE1 3.19Å; S223-E265 WeakPolarHBondContact CB-OE2 3.32Å; S223-E265 PolarHBondContact N-OE1 3.26Å; S223-E265 PolarHBondContact OG-OE2 2.96Å; R226-E265 PolarHBondContact NH1-O 3.34Å; F262-E265 WeakPolarHBondContact CE1-O 3.23Å
266N95.9Very high97.6Very high39 Ų3912.5 Ų12.521%0.2097%0.065CC..SBendtrans-115.2-14.4-174.4-57.6-62.4000113.2R226 T264 V281 Y282 V380R226-N266 PolarHBondContact NH1-OD1 3.13Å; T264-N266 PolarHBondContact O-N 3.29Å; T264-N266 PolarHBondContact OG1-N 3.15Å; N266-V281 WeakPolarHBondContact O-CA 3.41Å; N266-Y282 WeakPolarHBondContact CB-O 3.43Å; N266-Y282 PolarHBondContact O-N 3.43Å; N266-V380 HydrophobicContact CB-CB 4.46Å
267S97.4Very high97.6Very high0 Ų011.8 Ų11.80%06%0.06CC..EExtended strand (participates in β ladder)trans-113.6134.1-172.8-57.90000111I263 T264 V380I263-S267 VanDerWaalsContact CG1-O 3.24Å; I263-S267 WeakPolarHBondContact CG1-O 3.31Å; I263-S267 PolarHBondContact N-O 3.34Å; T264-S267 PolarHBondContact N-O 2.95Å; T264-S267 WeakPolarHBondContact OG1-CB 3.45Å; T264-S267 PolarHBondContact OG1-N 3.48Å; T264-S267 PolarHBondContact OG1-OG 3.21Å; S267-V380 PolarHBondContact OG-N 3.21Å; S267-V380 PolarHBondContact OG-O 2.69Å
268L97.9Very high97.6Very high0 Ų011.8 Ų11.80%06%0.061CC..EExtended strand (participates in β ladder)trans-120.9139.6-176.3-65.9165.7000110.2A228 V236 V238 V260 T261 F262 L279 Y280 L289A228-L268 HydrophobicContact CB-CD1 3.98Å; A228-L268 HydrophobicContact CB-CD2 3.54Å; A228-L268 HydrophobicContact CB-CG 4.44Å; V236-L268 HydrophobicContact CG1-CD1 4.3Å; V238-L268 HydrophobicContact CG2-CD1 3.59Å; V260-L268 HydrophobicContact CG2-CB 4.39Å; V260-L268 HydrophobicContact CG2-CD2 4.06Å; T261-L268 CarbonylContact O-C 3.28Å; T261-L268 WeakPolarHBondContact O-CA 3.31Å; F262-L268 HydrophobicContact CB-CD2 4.3Å; F262-L268 HydrophobicContact CD1-CD2 3.39Å; F262-L268 HydrophobicContact CD1-CG 4.08Å; F262-L268 HydrophobicContact CD2-CD2 3.64Å; F262-L268 HydrophobicContact CE1-CD2 3.49Å; F262-L268 VanDerWaalsContact CE1-CD2 3.49Å; F262-L268 HydrophobicContact CE1-CG 4.02Å; F262-L268 HydrophobicContact CE2-CD2 3.73Å; F262-L268 HydrophobicContact CG-CD2 3.5Å; F262-L268 VanDerWaalsContact CG-CD2 3.5Å; F262-L268 HydrophobicContact CZ-CD2 3.67Å; F262-L268 HydrophobicContact CZ-CG 4.46Å; L268-L279 CarbonylContact O-C 3.32Å; L268-L279 WeakPolarHBondContact O-CA 3.35Å; L268-L279 WeakPolarHBondContact O-CD1 3.35Å; L268-Y280 PolarHBondContact N-O 3.44Å; L268-Y280 PolarHBondContact O-N 2.97Å; L268-L289 HydrophobicContact CD1-CD2 4.07Å
269V98.4Very high97.5Very high0 Ų010.8 Ų10.80%06%0.055CC..EExtended strand (participates in β ladder)trans-110.6128.2164.6177.80000108.7V260 T261 I263 P277 M278 L295 I340 F353V260-V269 CarbonylContact C-O 3.54Å; V260-V269 WeakPolarHBondContact CA-O 3.26Å; T261-V269 HydrophobicContact CG2-CB 4.39Å; T261-V269 PolarHBondContact N-O 2.64Å; T261-V269 PolarHBondContact O-N 3.16Å; I263-V269 HydrophobicContact CB-CG2 4.47Å; I263-V269 HydrophobicContact CD1-CG2 3.78Å; I263-V269 HydrophobicContact CG1-CG2 4.09Å; I263-V269 HydrophobicContact CG2-CB 4.17Å; I263-V269 HydrophobicContact CG2-CG2 3.6Å; V269-P277 HydrophobicContact CG1-CB 3.8Å; V269-M278 WeakPolarHBondContact CA-O 3.31Å; V269-L295 HydrophobicContact CG1-CD1 4.03Å; V269-L295 HydrophobicContact CG2-CD1 3.86Å; V269-I340 HydrophobicContact CG1-CD1 4.23Å; V269-F353 HydrophobicContact CG1-CE2 3.9Å; V269-F353 HydrophobicContact CG1-CZ 3.94Å; V269-F353 HydrophobicContact CG2-CE1 4.35Å; V269-F353 HydrophobicContact CG2-CZ 4.4Å
270A98.5Very high97.5Very high0 Ų010.6 Ų10.60%05%0.054CC..EExtended strand (participates in β ladder)trans-129153.2174.700000111.3T230 L257 C259 V260 P277 M278 Y280T230-A270 HydrophobicContact CG2-CB 4.28Å; L257-A270 HydrophobicContact CB-CB 4.48Å; L257-A270 HydrophobicContact CD1-CB 3.87Å; L257-A270 HydrophobicContact CD2-CB 4.11Å; L257-A270 HydrophobicContact CG-CB 4.39Å; C259-A270 CarbonylContact O-C 3.58Å; C259-A270 WeakPolarHBondContact O-CA 3.18Å; C259-A270 WeakPolarHBondContact O-CB 3.27Å; V260-A270 HydrophobicContact CB-CB 4.1Å; V260-A270 HydrophobicContact CG2-CB 4.08Å; A270-P277 CarbonylContact O-C 3.59Å; A270-P277 WeakPolarHBondContact O-CA 3.13Å; A270-M278 PolarHBondContact N-O 3.24Å; A270-M278 PolarHBondContact O-N 3.29Å; A270-Y280 HydrophobicContact CB-CD2 4.23Å; A270-Y280 HydrophobicContact CB-CE2 4Å
271A98.6Very high97.4Very high0 Ų011.2 Ų11.20%06%0.058CC..EExtended strand (participates in β ladder)trans-150.2161.7176.900000110.9L257 L258 C259 P277 I337 I340L257-A271 CarbonylContact C-O 3.56Å; L258-A271 PolarHBondContact N-O 2.78Å; C259-A271 PolarHBondContact N-O 3.1Å; C259-A271 PolarHBondContact O-N 3.25Å; C259-A271 PolarHBondContact SG-O 3.17Å; C259-A271 VanDerWaalsContact SG-O 3.34Å; A271-P277 HydrophobicContact CB-CB 4.46Å; A271-I337 HydrophobicContact CB-CB 3.77Å; A271-I337 HydrophobicContact CB-CD1 3.87Å; A271-I337 HydrophobicContact CB-CG1 4.41Å; A271-I337 HydrophobicContact CB-CG2 3.67Å; A271-I340 HydrophobicContact CB-CD1 3.92Å
272G98.3Very high97.2Very high0 Ų011 Ų110%06%0.056CC..EExtended strand (participates in β ladder)trans-173.5-131.5179.400000112.8D274 C275 S336 I337G272-D274 PolarHBondContact O-N 2.55Å; G272-C275 PolarHBondContact O-N 3.11Å; G272-C275 VanDerWaalsContact O-N 3.08Å; G272-S336 WeakPolarHBondContact O-CA 3.46Å; G272-I337 WeakPolarHBondContact CA-O 3.41Å; G272-I337 PolarHBondContact O-N 3.32Å
273H97.9Very high97Very high57 Ų5713.8 Ų13.826%0.2647%0.071SC..THydrogen-bonded Turntrans-67.2-18.9-173.4-70.9-59.9000114.5L255 P256 C275 S336L255-H273 HydrophobicContact CB-CB 3.67Å; L255-H273 HydrophobicContact CD1-CB 4Å; L255-H273 HydrophobicContact CG-CB 4.48Å; P256-H273 PolarHBondContact O-CD2 2.95Å; P256-H273 PolarHBondContact O-N 3.08Å; H273-C275 PolarHBondContact O-N 2.87Å; H273-C275 PolarHBondContact O-SG 3.04Å; H273-S336 PolarHBondContact ND1-OG 3.37Å
274D96.4Very high96.5Very high26 Ų2614.9 Ų14.914%0.1398%0.083CC..THydrogen-bonded Turntrans-70.2-10.5172.4-75.8-64.4000114T254 L255 G272 Y276 M278T254-D274 WeakPolarHBondContact CB-OD2 3.23Å; T254-D274 PolarHBondContact OG1-OD2 3.38Å; L255-D274 PolarHBondContact N-OD2 3.28Å; G272-D274 PolarHBondContact O-N 2.55Å; D274-Y276 VanDerWaalsContact C-N 3.25Å; D274-Y276 HydrophobicContact CB-CD1 4.08Å; D274-Y276 HydrophobicContact CB-CE1 3.59Å; D274-Y276 HydrophobicContact CB-CE2 4.36Å; D274-Y276 WeakPolarHBondContact O-CD1 3.35Å; D274-Y276 WeakPolarHBondContact O-CE1 3.22Å; D274-Y276 PolarHBondContact O-N 2.8Å; D274-M278 HydrophobicContact CB-CE 3.71Å; D274-M278 WeakPolarHBondContact OD2-CE 3.31Å
275C96.9Very high96.1Very high8 Ų818.5 Ų18.55%0.05411%0.114CC..SBendtrans67.515.4176.9-460000115.2G272 H273 H333 N335G272-C275 PolarHBondContact O-N 3.11Å; G272-C275 VanDerWaalsContact O-N 3.08Å; H273-C275 PolarHBondContact O-N 2.87Å; H273-C275 PolarHBondContact O-SG 3.04Å; C275-H333 HydrophobicContact CB-CB 4.36Å; C275-N335 PolarHBondContact SG-O 3.31Å; C275-N335 VanDerWaalsContact SG-O 3.34Å
276Y96.3Very high95.9Very high21 Ų2122.6 Ų22.68%0.08214%0.137CC..SBendtrans-141152.5171.852.6-90.8000112.7D274 M278 K294 D296 T331D274-Y276 VanDerWaalsContact C-N 3.25Å; D274-Y276 HydrophobicContact CB-CD1 4.08Å; D274-Y276 HydrophobicContact CB-CE1 3.59Å; D274-Y276 HydrophobicContact CB-CE2 4.36Å; D274-Y276 WeakPolarHBondContact O-CD1 3.35Å; D274-Y276 WeakPolarHBondContact O-CE1 3.22Å; D274-Y276 PolarHBondContact O-N 2.8Å; Y276-M278 HydrophobicContact CD2-CE 3.97Å; Y276-M278 HydrophobicContact CD2-CG 3.85Å; Y276-M278 HydrophobicContact CE2-CE 3.17Å; Y276-M278 HydrophobicContact CE2-CG 3.72Å; Y276-M278 HydrophobicContact CE2-SD 4.11Å; Y276-K294 HydrophobicContact CD2-CB 4.08Å; Y276-K294 HydrophobicContact CD2-CD 4.3Å; Y276-K294 HydrophobicContact CD2-CG 4.21Å; Y276-K294 HydrophobicContact CE2-CB 3.98Å; Y276-K294 HydrophobicContact CE2-CD 3.48Å; Y276-K294 VanDerWaalsContact CE2-CD 3.48Å; Y276-K294 HydrophobicContact CE2-CG 3.58Å; Y276-K294 VanDerWaalsContact OH-CE 3.31Å; Y276-K294 WeakPolarHBondContact OH-CE 3.41Å; Y276-K294 PolarHBondContact OH-NZ 3.07Å; Y276-D296 VanDerWaalsContact CB-CB 3.42Å; Y276-D296 HydrophobicContact CG-CB 4.38Å; Y276-T331 HydrophobicContact CD1-CG2 3.51Å; Y276-T331 HydrophobicContact CE1-CG2 4.28Å; Y276-T331 HydrophobicContact CG-CG2 4.36Å
277P97.4Very high95.5Very high0 Ų022.3 Ų22.30%014%0.14CC..  trans-74.3144.7171.726.9-29.7000112.6V269 A270 A271 L295 F353 W365V269-P277 HydrophobicContact CG1-CB 3.8Å; A270-P277 CarbonylContact O-C 3.59Å; A270-P277 WeakPolarHBondContact O-CA 3.13Å; A271-P277 HydrophobicContact CB-CB 4.46Å; P277-L295 HydrophobicContact CB-CB 4.36Å; P277-L295 HydrophobicContact CB-CD1 4.27Å; P277-L295 HydrophobicContact CG-CB 4.06Å; P277-L295 WeakPolarHBondContact O-CB 3.47Å; P277-L295 PolarHBondContact O-N 3.36Å; P277-F353 HydrophobicContact CB-CE2 4.2Å; P277-F353 HydrophobicContact CB-CZ 4.41Å; P277-F353 HydrophobicContact CG-CE2 4.35Å; P277-F353 HydrophobicContact CG-CZ 4.49Å; P277-W365 VanDerWaalsContact CD-CH2 3.45Å; P277-W365 HydrophobicContact CG-CD2 3.85Å; P277-W365 HydrophobicContact CG-CE3 3.81Å; P277-W365 HydrophobicContact CG-CH2 3.58Å; P277-W365 HydrophobicContact CG-CZ2 3.58Å; P277-W365 HydrophobicContact CG-CZ3 3.66Å
278M96.9Very high95.3Very high1 Ų124.3 Ų24.31%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-126.8143.8179.4-64.6-177.7-159.100110.1T254 L257 V269 A270 D274 Y276 Y280 F291 G293T254-M278 HydrophobicContact CG2-CE 4.41Å; T254-M278 WeakPolarHBondContact OG1-CE 3.35Å; L257-M278 HydrophobicContact CD2-SD 4.48Å; V269-M278 WeakPolarHBondContact CA-O 3.31Å; A270-M278 PolarHBondContact N-O 3.24Å; A270-M278 PolarHBondContact O-N 3.29Å; D274-M278 HydrophobicContact CB-CE 3.71Å; D274-M278 WeakPolarHBondContact OD2-CE 3.31Å; Y276-M278 HydrophobicContact CD2-CE 3.97Å; Y276-M278 HydrophobicContact CD2-CG 3.85Å; Y276-M278 HydrophobicContact CE2-CE 3.17Å; Y276-M278 HydrophobicContact CE2-CG 3.72Å; Y276-M278 HydrophobicContact CE2-SD 4.11Å; M278-Y280 HydrophobicContact CB-CE2 3.81Å; M278-F291 HydrophobicContact CB-CE2 3.99Å; M278-F291 HydrophobicContact CG-CE2 4.12Å; M278-F291 HydrophobicContact SD-CE2 3.84Å; M278-F291 HydrophobicContact SD-CZ 4.49Å; M278-G293 WeakPolarHBondContact CA-O 3.39Å
279L97.3Very high95.1Very high0 Ų025 Ų250%016%0.158CC..EExtended strand (participates in β ladder)trans-92.7138174.4179.669000110.3I263 L268 V281 G292 G293 L295 L377 I379I263-L279 HydrophobicContact CD1-CD1 3.92Å; L268-L279 CarbonylContact O-C 3.32Å; L268-L279 WeakPolarHBondContact O-CA 3.35Å; L268-L279 WeakPolarHBondContact O-CD1 3.35Å; L279-V281 HydrophobicContact CD2-CG2 4.32Å; L279-V281 HydrophobicContact CG-CG2 4.3Å; L279-G292 WeakPolarHBondContact O-CA 3.43Å; L279-G292 PolarHBondContact O-N 3.32Å; L279-G293 PolarHBondContact N-O 3.47Å; L279-G293 PolarHBondContact O-N 3.45Å; L279-L295 HydrophobicContact CB-CD1 4.48Å; L279-L295 HydrophobicContact CB-CD2 4.04Å; L279-L295 HydrophobicContact CB-CG 4.35Å; L279-L377 HydrophobicContact CB-CD1 4.37Å; L279-L377 HydrophobicContact CD2-CD1 3.42Å; L279-L377 VanDerWaalsContact CD2-CD1 3.42Å; L279-L377 HydrophobicContact CD2-CG 3.87Å; L279-I379 HydrophobicContact CD1-CG1 4.31Å; L279-I379 HydrophobicContact CD2-CG1 4.04Å
280Y97.4Very high95Very high1 Ų128.5 Ų28.50%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-127.6143.9166.8-61.2-93.8000109.3V236 L250 L257 L268 A270 M278 T290 F291V236-Y280 HydrophobicContact CG2-CD1 4.22Å; V236-Y280 HydrophobicContact CG2-CD2 4.15Å; V236-Y280 HydrophobicContact CG2-CE1 3.87Å; V236-Y280 HydrophobicContact CG2-CE2 3.82Å; V236-Y280 HydrophobicContact CG2-CG 4.34Å; L250-Y280 HydrophobicContact CD2-CD1 3.78Å; L250-Y280 HydrophobicContact CD2-CE1 3.88Å; L257-Y280 HydrophobicContact CD1-CE2 4.02Å; L268-Y280 PolarHBondContact N-O 3.44Å; L268-Y280 PolarHBondContact O-N 2.97Å; A270-Y280 HydrophobicContact CB-CD2 4.23Å; A270-Y280 HydrophobicContact CB-CE2 4Å; M278-Y280 HydrophobicContact CB-CE2 3.81Å; Y280-T290 CarbonylContact C-O 3.55Å; Y280-T290 VanDerWaalsContact CA-O 3.31Å; Y280-T290 WeakPolarHBondContact CA-O 3.4Å; Y280-F291 HydrophobicContact CD1-CD2 4.28Å; Y280-F291 HydrophobicContact CE1-CB 4.48Å; Y280-F291 AromaticContact CE1-CD2 3.76Å; Y280-F291 HydrophobicContact CE1-CD2 3.76Å; Y280-F291 AromaticContact CZ-CD2 3.97Å
281V96.7Very high94.9Very high22 Ų2233.4 Ų33.413%0.13320%0.201CC..EExtended strand (participates in β ladder)trans-122.7125.7179.5-176.10000109N266 L279 T290 K378 V380N266-V281 WeakPolarHBondContact O-CA 3.41Å; L279-V281 HydrophobicContact CD2-CG2 4.32Å; L279-V281 HydrophobicContact CG-CG2 4.3Å; V281-T290 PolarHBondContact N-O 3.46Å; V281-T290 PolarHBondContact O-N 2.83Å; V281-T290 PolarHBondContact O-OG1 2.97Å; V281-T290 VanDerWaalsContact O-OG1 3.14Å; V281-K378 WeakPolarHBondContact CG2-O 3.36Å; V281-V380 HydrophobicContact CG1-CB 4.47Å; V281-V380 HydrophobicContact CG1-CG2 4.34Å
282Y95.8Very high94.6Very high2 Ų234.6 Ų34.61%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-96.7123.9175.9178.6-117.6000110.3V238 E240 C248 N266 S288 L289V238-Y282 HydrophobicContact CB-CD2 4.13Å; V238-Y282 HydrophobicContact CB-CE2 4.35Å; V238-Y282 HydrophobicContact CB-CG 4.4Å; V238-Y282 HydrophobicContact CG1-CD1 4Å; V238-Y282 HydrophobicContact CG1-CD2 4.02Å; V238-Y282 HydrophobicContact CG1-CE1 4.01Å; V238-Y282 HydrophobicContact CG1-CE2 4.06Å; V238-Y282 HydrophobicContact CG1-CG 3.99Å; E240-Y282 PolarHBondContact OE2-OH 2.68Å; C248-Y282 WeakPolarHBondContact SG-CE2 3.43Å; N266-Y282 WeakPolarHBondContact CB-O 3.43Å; N266-Y282 PolarHBondContact O-N 3.43Å; Y282-S288 WeakPolarHBondContact CA-O 3.16Å; Y282-S288 VanDerWaalsContact CD2-O 3.31Å; Y282-S288 WeakPolarHBondContact CD2-O 3.47Å; Y282-L289 HydrophobicContact CD2-CD2 4.35Å; Y282-L289 HydrophobicContact CD2-CG 4.19Å
283D93.7Very high94.3Very high60 Ų6035.4 Ų35.432%0.32122%0.221SC..EExtended strand (participates in β ladder)trans-98.9103.8170.2179.5-0.2000109.2A285 N286 A287 S288D283-A285 VanDerWaalsContact C-N 3.27Å; D283-A285 PolarHBondContact O-N 3.43Å; D283-A285 WeakPolarHBondContact OD1-CB 3.39Å; D283-A285 PolarHBondContact OD1-N 2.84Å; D283-N286 PolarHBondContact O-N 3.04Å; D283-N286 PolarHBondContact OD2-ND2 2.91Å; D283-A287 WeakPolarHBondContact O-CA 3.43Å; D283-A287 PolarHBondContact O-N 3.44Å; D283-S288 PolarHBondContact N-O 2.93Å; D283-S288 PolarHBondContact O-N 2.82Å; D283-S288 VanDerWaalsContact O-N 3.11Å
284G87.3Confident94.1Very high25 Ų2537.5 Ų37.526%0.25823%0.23SC..THydrogen-bonded Turntrans-66.7-23.6179.300000114.1
285A88.8Confident94Very high92 Ų9236.5 Ų36.576%0.7623%0.225SC*.THydrogen-bonded Turntrans-71.3-35.9178.300000111.6D283D283-A285 VanDerWaalsContact C-N 3.27Å; D283-A285 PolarHBondContact O-N 3.43Å; D283-A285 WeakPolarHBondContact OD1-CB 3.39Å; D283-A285 PolarHBondContact OD1-N 2.84Å
286N89.4Confident93.8Very high120 Ų12037 Ų3764%0.64223%0.227SC*.THydrogen-bonded Turntrans-104.71.7-178.8-66.8-50.8000113.4D283 S288D283-N286 PolarHBondContact O-N 3.04Å; D283-N286 PolarHBondContact OD2-ND2 2.91Å; N286-S288 VanDerWaalsContact C-N 3.27Å; N286-S288 PolarHBondContact O-N 2.79Å
287A88.8Confident93Very high33 Ų3338.9 Ų38.927%0.27324%0.24SC..THydrogen-bonded Turntrans4452.1-171.600000112.3C248 D283C248-A287 WeakPolarHBondContact CB-O 3.31Å; D283-A287 WeakPolarHBondContact O-CA 3.43Å; D283-A287 PolarHBondContact O-N 3.44Å
288S92.6Very high91.6Very high42 Ų4242.3 Ų42.329%0.29426%0.263SS..EExtended strand (participates in β ladder)trans-129.3145.9-173.970.40000112.5Y282 D283 N286Y282-S288 WeakPolarHBondContact CA-O 3.16Å; Y282-S288 VanDerWaalsContact CD2-O 3.31Å; Y282-S288 WeakPolarHBondContact CD2-O 3.47Å; D283-S288 PolarHBondContact N-O 2.93Å; D283-S288 PolarHBondContact O-N 2.82Å; D283-S288 VanDerWaalsContact O-N 3.11Å; N286-S288 VanDerWaalsContact C-N 3.27Å; N286-S288 PolarHBondContact O-N 2.79Å
289L94.8Very high89.7Confident15 Ų1551.5 Ų51.58%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-108.3134.7175.1-89.2167.9000109.8V236 V238 L250 L268 Y282V236-L289 HydrophobicContact CG1-CD1 4.41Å; V236-L289 WeakPolarHBondContact O-CD1 3.44Å; V238-L289 HydrophobicContact CB-CD1 4.19Å; V238-L289 HydrophobicContact CG2-CD1 3.95Å; V238-L289 HydrophobicContact CG2-CD2 3.93Å; V238-L289 HydrophobicContact CG2-CG 4.24Å; L250-L289 HydrophobicContact CB-CB 3.85Å; L250-L289 HydrophobicContact CD2-CB 4.49Å; L268-L289 HydrophobicContact CD1-CD2 4.07Å; Y282-L289 HydrophobicContact CD2-CD2 4.35Å; Y282-L289 HydrophobicContact CD2-CG 4.19Å
290T95.8Very high87.2Confident74 Ų7459.6 Ų59.645%0.45434%0.34SS..EExtended strand (participates in β ladder)trans-125.4145176.958.90000110.8Y280 V281 G292Y280-T290 CarbonylContact C-O 3.55Å; Y280-T290 VanDerWaalsContact CA-O 3.31Å; Y280-T290 WeakPolarHBondContact CA-O 3.4Å; V281-T290 PolarHBondContact N-O 3.46Å; V281-T290 PolarHBondContact O-N 2.83Å; V281-T290 PolarHBondContact O-OG1 2.97Å; V281-T290 VanDerWaalsContact O-OG1 3.14Å; T290-G292 PolarHBondContact O-N 2.92Å
291F95.8Very high84.3Confident102 Ų10264.5 Ų64.545%0.44738%0.381SS..EExtended strand (participates in β ladder)trans-77.2118.5173177.8-111.2000109.8L250 M278 Y280 K294L250-F291 HydrophobicContact CD2-CB 4.23Å; M278-F291 HydrophobicContact CB-CE2 3.99Å; M278-F291 HydrophobicContact CG-CE2 4.12Å; M278-F291 HydrophobicContact SD-CE2 3.84Å; M278-F291 HydrophobicContact SD-CZ 4.49Å; Y280-F291 HydrophobicContact CD1-CD2 4.28Å; Y280-F291 HydrophobicContact CE1-CB 4.48Å; Y280-F291 AromaticContact CE1-CD2 3.76Å; Y280-F291 HydrophobicContact CE1-CD2 3.76Å; Y280-F291 AromaticContact CZ-CD2 3.97Å; F291-K294 HydrophobicContact CZ-CG 4.05Å
292G92.3Very high81.2Confident26 Ų2666.5 Ų66.527%0.26840%0.4SS..EExtended strand (participates in β ladder)trans-90.6-15.4-177.100000114.6L279 T290L279-G292 WeakPolarHBondContact O-CA 3.43Å; L279-G292 PolarHBondContact O-N 3.32Å; T290-G292 PolarHBondContact O-N 2.92Å
293G92.7Very high78.4Confident16 Ų1672.5 Ų72.517%0.16544%0.442CS..EExtended strand (participates in β ladder)trans127169.3174.200000114.9M278 L279M278-G293 WeakPolarHBondContact CA-O 3.39Å; L279-G293 PolarHBondContact N-O 3.47Å; L279-G293 PolarHBondContact O-N 3.45Å
294K94.2Very high75.8Confident102 Ų10277.7 Ų77.744%0.44346%0.462SS..EExtended strand (participates in β ladder)trans-81.5129.7174.9-51.8-174.8179-167.50109Y276 F291 V297 M374Y276-K294 HydrophobicContact CD2-CB 4.08Å; Y276-K294 HydrophobicContact CD2-CD 4.3Å; Y276-K294 HydrophobicContact CD2-CG 4.21Å; Y276-K294 HydrophobicContact CE2-CB 3.98Å; Y276-K294 HydrophobicContact CE2-CD 3.48Å; Y276-K294 VanDerWaalsContact CE2-CD 3.48Å; Y276-K294 HydrophobicContact CE2-CG 3.58Å; Y276-K294 VanDerWaalsContact OH-CE 3.31Å; Y276-K294 WeakPolarHBondContact OH-CE 3.41Å; Y276-K294 PolarHBondContact OH-NZ 3.07Å; F291-K294 HydrophobicContact CZ-CG 4.05Å; K294-V297 WeakPolarHBondContact O-CG2 3.4Å; K294-M374 VanDerWaalsContact O-SD 3.36Å
295L94Very high73.5Confident5 Ų584.1 Ų84.13%0.02649%0.49CS..SBendtrans-90.1-21.3-177.3-60.1-179.3000112.6V269 P277 L279 V297 F353 L370 M374 L377V269-L295 HydrophobicContact CG1-CD1 4.03Å; V269-L295 HydrophobicContact CG2-CD1 3.86Å; P277-L295 HydrophobicContact CB-CB 4.36Å; P277-L295 HydrophobicContact CB-CD1 4.27Å; P277-L295 HydrophobicContact CG-CB 4.06Å; P277-L295 WeakPolarHBondContact O-CB 3.47Å; P277-L295 PolarHBondContact O-N 3.36Å; L279-L295 HydrophobicContact CB-CD1 4.48Å; L279-L295 HydrophobicContact CB-CD2 4.04Å; L279-L295 HydrophobicContact CB-CG 4.35Å; L295-V297 VanDerWaalsContact C-N 3.33Å; L295-V297 PolarHBondContact O-N 3.02Å; L295-V297 VanDerWaalsContact O-N 3.16Å; L295-F353 HydrophobicContact CD1-CZ 4.03Å; L295-L370 HydrophobicContact CB-CD1 4.23Å; L295-L370 HydrophobicContact CB-CD2 4.39Å; L295-L370 HydrophobicContact CD1-CD1 4.3Å; L295-L370 HydrophobicContact CD2-CD1 4.38Å; L295-L370 WeakPolarHBondContact O-CD2 3.38Å; L295-M374 HydrophobicContact CD2-CE 3.76Å; L295-L377 HydrophobicContact CD2-CD1 3.69Å; L295-L377 HydrophobicContact CD2-CD2 4.07Å
296D91.3Very high71.7Confident18 Ų1883.6 Ų83.610%0.09647%0.474CS..  trans-87.276172.5-167.216.3000110.5Y276 P298 T331 L332 W365Y276-D296 VanDerWaalsContact CB-CB 3.42Å; Y276-D296 HydrophobicContact CG-CB 4.38Å; D296-P298 WeakPolarHBondContact O-CD 3.47Å; D296-T331 WeakPolarHBondContact OD2-CA 3.29Å; D296-T331 WeakPolarHBondContact OD2-CB 3.41Å; D296-L332 PolarHBondContact OD2-N 3.3Å; D296-W365 HydrophobicContact CB-CH2 3.82Å; D296-W365 HydrophobicContact CB-CZ3 3.94Å
297V79.4Confident70.3Confident60 Ų6080.6 Ų80.636%0.36446%0.463SS..  trans-90.7115.3171-1700000106.3K294 L295 K299 M374K294-V297 WeakPolarHBondContact O-CG2 3.4Å; L295-V297 VanDerWaalsContact C-N 3.33Å; L295-V297 PolarHBondContact O-N 3.02Å; L295-V297 VanDerWaalsContact O-N 3.16Å; V297-K299 PolarHBondContact O-N 2.82Å; V297-M374 HydrophobicContact CG2-CG 4.08Å; V297-M374 HydrophobicContact CG2-SD 3.66Å
298P68Low68.5Low73 Ų7383 Ų8347%0.47448%0.482SS..  trans-49.9138.2169.3-21.430.7000106.8D296 Q300D296-P298 WeakPolarHBondContact O-CD 3.47Å; P298-Q300 PolarHBondContact O-N 2.9Å
299K57.6Low66.8Low193 Ų19390.2 Ų90.284%0.83950%0.503SS*.  trans-54.899.4166.8-71.8-178.5-179.7178.30105.2V297 A301V297-K299 PolarHBondContact O-N 2.82Å; K299-A301 PolarHBondContact O-N 3.02Å
300Q44.2Very low64.7Low170 Ų17094.5 Ų94.579%0.79452%0.523SS*.  trans-45.9136.4161.9-80.3-178.6-6.900104.1P298 A302P298-Q300 PolarHBondContact O-N 2.9Å; Q300-A302 PolarHBondContact O-N 3.01Å
301A36.5Very low62.6Low104 Ų10498 Ų9886%0.8653%0.527SS*.  trans-54.680.3173.700000108.1K299 S303K299-A301 PolarHBondContact O-N 3.02Å; A301-S303 PolarHBondContact O-N 3.11Å; A301-S303 VanDerWaalsContact O-N 3.11Å
302A33.1Very low60.7Low64 Ų64100 Ų10053%0.52954%0.536SS..  trans-58.5121.5165.500000101.7Q300 K304Q300-A302 PolarHBondContact O-N 3.01Å; A302-K304 HydrophobicContact CB-CG 4.28Å; A302-K304 PolarHBondContact O-N 2.96Å
303S36.3Very low58.9Low129 Ų129105.2 Ų105.290%0.90255%0.552SS**  trans-6163166.360.10000109.2A301A301-S303 PolarHBondContact O-N 3.11Å; A301-S303 VanDerWaalsContact O-N 3.11Å
304K38.9Very low56.9Low168 Ų168108.9 Ų108.973%0.7357%0.568SS**  trans-107.4130.9168.6-81.2-171.8171.9-175.70104.8A302 I306A302-K304 HydrophobicContact CB-CG 4.28Å; A302-K304 PolarHBondContact O-N 2.96Å; K304-I306 VanDerWaalsContact C-N 3.34Å; K304-I306 WeakPolarHBondContact O-CG1 3.2Å; K304-I306 PolarHBondContact O-N 3.22Å
305D39Very low54.6Low161 Ų161110 Ų11086%0.86158%0.578SS**  trans-48.198.2176.3-79.1-50.1000110.8S307D305-S307 PolarHBondContact O-N 2.97Å
306I50.9Low52.1Low80 Ų80114.8 Ų114.841%0.4160%0.603SS.*  trans-65.7118.8175.3-49.7170.2000105.6K304 E310 R311K304-I306 VanDerWaalsContact C-N 3.34Å; K304-I306 WeakPolarHBondContact O-CG1 3.2Å; K304-I306 PolarHBondContact O-N 3.22Å; I306-E310 HydrophobicContact CG2-CB 3.53Å; I306-R311 HydrophobicContact CB-CG 4.09Å; I306-R311 HydrophobicContact CG2-CG 3.84Å; I306-R311 PolarHBondContact O-NE 3.34Å
307S61.2Low50.1Low58 Ų58121.6 Ų121.641%0.40663%0.628SS.*  trans-57148.5179.769.40000110.8D305 R309 E310 R311D305-S307 PolarHBondContact O-N 2.97Å; S307-R309 PolarHBondContact O-N 3.34Å; S307-E310 PolarHBondContact O-N 2.95Å; S307-E310 PolarHBondContact OG-N 3.39Å; S307-R311 PolarHBondContact O-N 2.87Å
308A50.9Low48.6Very low83 Ų83128.8 Ų128.869%0.68665%0.648SS**Hα-helixtrans-53.1-31.7179.500000112.7R311 F312A308-R311 PolarHBondContact O-N 3.43Å; A308-F312 WeakPolarHBondContact O-CB 3.47Å; A308-F312 PolarHBondContact O-N 3.02Å
309R55.5Low47.4Very low194 Ų194129.6 Ų129.673%0.73266%0.661SS**Hα-helixtrans-68.5-38.5177.3-168.4178.5-176.4-1761.5113.3S307 K313S307-R309 PolarHBondContact O-N 3.34Å; R309-K313 WeakPolarHBondContact O-CG 3.44Å; R309-K313 PolarHBondContact O-N 3.39Å
310E51.3Low46.8Very low105 Ų105124.6 Ų124.649%0.49165%0.65SS.*Hα-helixtrans-72.8-36.5174.9-79.1176.1146.500111.4I306 S307 F312 K313 N314I306-E310 HydrophobicContact CG2-CB 3.53Å; S307-E310 PolarHBondContact O-N 2.95Å; S307-E310 PolarHBondContact OG-N 3.39Å; E310-F312 VanDerWaalsContact C-N 3.34Å; E310-F312 PolarHBondContact O-N 3.11Å; E310-K313 PolarHBondContact O-N 2.9Å; E310-N314 VanDerWaalsContact O-CG 3.24Å; E310-N314 PolarHBondContact O-N 2.87Å; E310-N314 VanDerWaalsContact O-N 3.14Å; E310-N314 PolarHBondContact O-ND2 2.9Å
311R51.6Low46.7Very low146 Ų146122 Ų12255%0.55164%0.638SS**Hα-helixtrans-61.5-42.9173-66.9-172.6-173.5-162.9-1.4111.7I306 S307 A308 N314 L315I306-R311 HydrophobicContact CB-CG 4.09Å; I306-R311 HydrophobicContact CG2-CG 3.84Å; I306-R311 PolarHBondContact O-NE 3.34Å; S307-R311 PolarHBondContact O-N 2.87Å; A308-R311 PolarHBondContact O-N 3.43Å; R311-N314 PolarHBondContact O-N 2.88Å; R311-L315 PolarHBondContact O-N 2.96Å
312F56.7Low46.7Very low144 Ų144123.4 Ų123.463%0.63264%0.636SS**Hα-helixtrans-65.9-43.7180-144.3-86.1000112.3A308 E310 N314 L315 D316A308-F312 WeakPolarHBondContact O-CB 3.47Å; A308-F312 PolarHBondContact O-N 3.02Å; E310-F312 VanDerWaalsContact C-N 3.34Å; E310-F312 PolarHBondContact O-N 3.11Å; F312-N314 VanDerWaalsContact C-N 3.28Å; F312-N314 PolarHBondContact O-N 3.14Å; F312-L315 PolarHBondContact O-N 2.8Å; F312-L315 VanDerWaalsContact O-N 3.16Å; F312-D316 PolarHBondContact O-N 2.61Å; F312-D316 VanDerWaalsContact O-N 3.07Å
313K53.6Low47.3Very low137 Ų137130.2 Ų130.260%0.59666%0.657SS**Hα-helixtrans-60.1-36.8175-77.4-176.8175.2-173.30113.1R309 E310 R317R309-K313 WeakPolarHBondContact O-CG 3.44Å; R309-K313 PolarHBondContact O-N 3.39Å; E310-K313 PolarHBondContact O-N 2.9Å; K313-R317 PolarHBondContact O-N 3.46Å
314N50.5Low47.3Very low93 Ų93128.6 Ų128.650%0.49765%0.646SS.*Hα-helixtrans-75.6-27.1179-68.8-13.5000112.5E310 R311 F312E310-N314 VanDerWaalsContact O-CG 3.24Å; E310-N314 PolarHBondContact O-N 2.87Å; E310-N314 VanDerWaalsContact O-N 3.14Å; E310-N314 PolarHBondContact O-ND2 2.9Å; R311-N314 PolarHBondContact O-N 2.88Å; F312-N314 VanDerWaalsContact C-N 3.28Å; F312-N314 PolarHBondContact O-N 3.14Å
315L45.9Very low47.3Very low126 Ų126127.7 Ų127.766%0.6666%0.655SS**Hα-helixtrans-76.3-44.3177.5-123.8117.8000112R311 F312 R317 R318 A319R311-L315 PolarHBondContact O-N 2.96Å; F312-L315 PolarHBondContact O-N 2.8Å; F312-L315 VanDerWaalsContact O-N 3.16Å; L315-R317 VanDerWaalsContact C-N 3.26Å; L315-R317 PolarHBondContact O-N 2.85Å; L315-R318 PolarHBondContact O-N 2.77Å; L315-R318 VanDerWaalsContact O-N 3.15Å; L315-A319 PolarHBondContact O-N 3.29Å
316D41.1Very low47.6Very low104 Ų104126.4 Ų126.456%0.55665%0.648SS**Hα-helixtrans-61.4-34.9176.2-90.5-16.1000112.2F312 R318 A319 S320F312-D316 PolarHBondContact O-N 2.61Å; F312-D316 VanDerWaalsContact O-N 3.07Å; D316-R318 VanDerWaalsContact C-N 3.34Å; D316-R318 PolarHBondContact O-N 2.87Å; D316-A319 PolarHBondContact O-N 2.73Å; D316-S320 PolarHBondContact O-OG 2.75Å
317R49.3Very low47.5Very low162 Ų162132.1 Ų132.161%0.61167%0.67SS**Hα-helixtrans-67.5-34.2177-156.8-177.881.4161.48.7112.6K313 L315 S320K313-R317 PolarHBondContact O-N 3.46Å; L315-R317 VanDerWaalsContact C-N 3.26Å; L315-R317 PolarHBondContact O-N 2.85Å; R317-S320 PolarHBondContact O-OG 3.47Å
318R48.2Very low47.7Very low210 Ų210134.9 Ų134.979%0.79268%0.68SS**Hα-helixtrans-78.9-24178.6-77.5-178174.6178.9-1.5113.5L315 D316 S320L315-R318 PolarHBondContact O-N 2.77Å; L315-R318 VanDerWaalsContact O-N 3.15Å; D316-R318 VanDerWaalsContact C-N 3.34Å; D316-R318 PolarHBondContact O-N 2.87Å; R318-S320 VanDerWaalsContact C-N 3.31Å
319A42.9Very low49.1Very low90 Ų90134.9 Ų134.974%0.74467%0.668SS**Hα-helixtrans-79.1-13.7-179.900000113.6L315 D316L315-A319 PolarHBondContact O-N 3.29Å; D316-A319 PolarHBondContact O-N 2.73Å
320S44.7Very low50.6Low88 Ų88132.3 Ų132.362%0.61567%0.669SS**SBendtrans-99.4-5.2-17842.90000114.6D316 R317 R318 T322D316-S320 PolarHBondContact O-OG 2.75Å; R317-S320 PolarHBondContact O-OG 3.47Å; R318-S320 VanDerWaalsContact C-N 3.31Å; S320-T322 PolarHBondContact O-N 2.73Å
321E41.8Very low52.6Low117 Ų117128.2 Ų128.255%0.54765%0.651SS.*  trans-96.790.2-178.7-73.5169.2-173.700110.9
322T37.9Very low54.5Low133 Ų133123.4 Ų123.482%0.81664%0.636SS**  trans-62.5130.4156.226.10000109.6S320 S324S320-T322 PolarHBondContact O-N 2.73Å; T322-S324 PolarHBondContact O-N 3.07Å; T322-S324 VanDerWaalsContact O-N 3.16Å
323Q44.3Very low56.4Low206 Ų206116.6 Ų116.696%0.96361%0.606SS**  trans-39109.9-177-66.8172.9-4.800114
324S37.2Very low58.4Low95 Ų95115.1 Ų115.166%0.66460%0.6SS**  trans-125.2129.6152.959.20000107.3T322 D326T322-S324 PolarHBondContact O-N 3.07Å; T322-S324 VanDerWaalsContact O-N 3.16Å; S324-D326 PolarHBondContact O-N 2.69Å
325T39.1Very low60.5Low150 Ų150114 Ų11492%0.9259%0.593SS**  trans-77.657.4179.5470000110.5
326D45.1Very low63Low134 Ų134108.4 Ų108.472%0.71757%0.565SS**  trans-85.1127.6165.6-106.7-25000108.4S324 D328S324-D326 PolarHBondContact O-N 2.69Å; D326-D328 VanDerWaalsContact C-N 3.26Å; D326-D328 PolarHBondContact O-N 3.44Å
327K49.4Very low65.8Low200 Ų200103.4 Ų103.487%0.8754%0.538SS*.  trans-65.691.1171.9-74.8178.3177.9175.70107.5L329K327-L329 PolarHBondContact O-N 2.72Å
328D65.6Low68.1Low116 Ų11697.3 Ų97.362%0.6252%0.521SS*.  trans-54.2106.5173.4-96.3-23.8000109.5D326 N330D326-D328 VanDerWaalsContact C-N 3.26Å; D326-D328 PolarHBondContact O-N 3.44Å; D328-N330 PolarHBondContact O-N 3Å
329L79.6Confident70.5Confident82 Ų8289 Ų8943%0.42949%0.49SS..  trans-59.7129170.8-78163000107.9K327 T331 K334K327-L329 PolarHBondContact O-N 2.72Å; L329-T331 PolarHBondContact O-N 3.32Å; L329-T331 VanDerWaalsContact O-N 3.07Å; L329-K334 HydrophobicContact CB-CD 4.37Å; L329-K334 WeakPolarHBondContact CD1-O 3.45Å; L329-K334 PolarHBondContact O-NZ 3.2Å
330N87.3Confident73.1Confident141 Ų14185.6 Ų85.675%0.75446%0.46SS*.SBendtrans-75.610.1179.6-73.7-32.5000113.8D328D328-N330 PolarHBondContact O-N 3Å
331T92.3Very high75.6Confident19 Ų1982.5 Ų82.512%0.11744%0.438CS..SBendtrans-94.9157.4-178.251.10000111.3Y276 D296 L329 H333 K334Y276-T331 HydrophobicContact CD1-CG2 3.51Å; Y276-T331 HydrophobicContact CE1-CG2 4.28Å; Y276-T331 HydrophobicContact CG-CG2 4.36Å; D296-T331 WeakPolarHBondContact OD2-CA 3.29Å; D296-T331 WeakPolarHBondContact OD2-CB 3.41Å; L329-T331 PolarHBondContact O-N 3.32Å; L329-T331 VanDerWaalsContact O-N 3.07Å; T331-H333 WeakPolarHBondContact CB-O 3.5Å; T331-H333 PolarHBondContact OG1-O 2.7Å; T331-K334 PolarHBondContact O-NZ 3.29Å
332L93.1Very high78.2Confident45 Ų4578 Ų7824%0.23642%0.417CS..SBendtrans-63.6-49.6177.3-168.267.9000111.1Y3 D296 W365Y3-L332 HydrophobicContact CD2-CD1 4.49Å; Y3-L332 HydrophobicContact CD2-CD2 4.21Å; Y3-L332 HydrophobicContact CD2-CG 3.82Å; Y3-L332 HydrophobicContact CG-CD1 4.23Å; Y3-L332 HydrophobicContact CG-CG 4.06Å; D296-L332 PolarHBondContact OD2-N 3.3Å; L332-W365 HydrophobicContact CB-CH2 4.16Å; L332-W365 HydrophobicContact CD2-CH2 3.85Å; L332-W365 HydrophobicContact CD2-CZ2 3.79Å
333H95.5Very high81Confident0 Ų072.5 Ų72.50%038%0.383CS..SBendtrans-80.1144.2169.5-76.7-88.4000110.4Y3 C275 T331 I337 T355 D359 G361Y3-H333 AromaticContact CE2-ND1 3.9Å; C275-H333 HydrophobicContact CB-CB 4.36Å; T331-H333 WeakPolarHBondContact CB-O 3.5Å; T331-H333 PolarHBondContact OG1-O 2.7Å; H333-I337 HydrophobicContact CB-CD1 4.38Å; H333-I337 HydrophobicContact CB-CG1 4.05Å; H333-T355 PolarHBondContact NE2-OG1 2.89Å; H333-D359 WeakPolarHBondContact CA-OD2 3.39Å; H333-D359 VanDerWaalsContact CB-OD2 3.29Å; H333-D359 WeakPolarHBondContact CB-OD2 3.38Å; H333-D359 IonicContact CE1-OD1 2.86Å; H333-D359 IonicContact CG-OD2 2.78Å; H333-D359 IonicContact ND1-OD1 3.65Å; H333-D359 PolarHBondContact ND1-OD1 3.15Å; H333-D359 IonicContact ND1-OD2 3.04Å; H333-D359 PolarHBondContact ND1-OD2 2.83Å; H333-D359 VanDerWaalsContact ND1-OD2 3.08Å; H333-G361 PolarHBondContact CE1-O 2.67Å
334K95.1Very high83.4Confident107 Ų10766.6 Ų66.647%0.46536%0.355SS..SBendtrans-103.22.9-179.6-55-52.6-174.4-171.20113.4L329 T331 D359L329-K334 HydrophobicContact CB-CD 4.37Å; L329-K334 WeakPolarHBondContact CD1-O 3.45Å; L329-K334 PolarHBondContact O-NZ 3.2Å; T331-K334 PolarHBondContact O-NZ 3.29Å; K334-D359 HydrophobicContact CB-CB 4.3Å; K334-D359 PolarHBondContact N-OD2 2.87Å
335N96.1Very high86.1Confident68 Ų6864.6 Ų64.636%0.36435%0.35SS..SBendtrans-153.6175.5174.2-156.7-20.1000109.1C275 I337 M358 D359C275-N335 PolarHBondContact SG-O 3.31Å; C275-N335 VanDerWaalsContact SG-O 3.34Å; N335-I337 PolarHBondContact O-N 3.37Å; N335-M358 HydrophobicContact CB-CB 4Å; N335-D359 HydrophobicContact CB-CB 3.8Å
336S98.1Very high88.8Confident9 Ų959.1 Ų59.16%0.06332%0.323CS..  trans-52.6133.9-173.5-530000112G272 H273 G357 M358G272-S336 WeakPolarHBondContact O-CA 3.46Å; H273-S336 PolarHBondContact ND1-OG 3.37Å; S336-G357 CarbonylContact O-C 3.55Å; S336-G357 VanDerWaalsContact O-CA 3.25Å; S336-G357 WeakPolarHBondContact O-CA 3.19Å; S336-M358 PolarHBondContact O-N 3.08Å
337I98.6Very high91.1Very high0 Ų055.8 Ų55.80%030%0.3CS..EExtended strand (participates in β ladder)trans-81122.3172.3-63.6170.9000108A271 G272 H333 N335 T355A271-I337 HydrophobicContact CB-CB 3.77Å; A271-I337 HydrophobicContact CB-CD1 3.87Å; A271-I337 HydrophobicContact CB-CG1 4.41Å; A271-I337 HydrophobicContact CB-CG2 3.67Å; G272-I337 WeakPolarHBondContact CA-O 3.41Å; G272-I337 PolarHBondContact O-N 3.32Å; H333-I337 HydrophobicContact CB-CD1 4.38Å; H333-I337 HydrophobicContact CB-CG1 4.05Å; N335-I337 PolarHBondContact O-N 3.37Å; I337-T355 HydrophobicContact CD1-CG2 4.28Å; I337-T355 HydrophobicContact CG2-CG2 3.94Å
338S97.9Very high93.2Very high34 Ų3450 Ų5024%0.23828%0.279CS..EExtended strand (participates in β ladder)trans-102.9-23.9-172.957.60000113.5I11 T356I11-S338 PolarHBondContact O-OG 3.25Å; S338-T356 PolarHBondContact N-O 2.93Å; S338-T356 PolarHBondContact OG-O 3.11Å
339Q98.7Very high94.6Very high34 Ų3451 Ų5116%0.15928%0.28CS..EExtended strand (participates in β ladder)trans-147.1140.4-177.7-167.1177.2-8.800111.8H14 T355 T356H14-Q339 PolarHBondContact ND1-OE1 3.48Å; H14-Q339 VanDerWaalsContact ND1-OE1 3.14Å; H14-Q339 PolarHBondContact O-NE2 2.89Å; Q339-T355 WeakPolarHBondContact O-CA 3.34Å; Q339-T356 PolarHBondContact N-O 2.51Å; Q339-T356 PolarHBondContact O-N 2.83Å
340I98.6Very high95.4Very high19 Ų1947.6 Ų47.610%0.09726%0.263CS..EExtended strand (participates in β ladder)trans-116.1142.6168.4-67.5157.4000108.8C259 T261 V269 A271 F353 C354 T355C259-I340 HydrophobicContact CB-CD1 4.23Å; C259-I340 HydrophobicContact CB-CG1 4.32Å; C259-I340 WeakPolarHBondContact SG-CD1 3.26Å; C259-I340 VanDerWaalsContact SG-CG1 3.55Å; T261-I340 HydrophobicContact CG2-CB 4.49Å; T261-I340 HydrophobicContact CG2-CG2 3.51Å; V269-I340 HydrophobicContact CG1-CD1 4.23Å; A271-I340 HydrophobicContact CB-CD1 3.92Å; I340-F353 HydrophobicContact CG2-CD2 4.21Å; I340-C354 CarbonylContact C-O 3.58Å; I340-C354 VanDerWaalsContact CA-O 3.25Å; I340-C354 WeakPolarHBondContact CA-O 3.34Å; I340-T355 HydrophobicContact CG1-CG2 3.82Å
341S97Very high95.8Very high23 Ų2342.8 Ų42.816%0.16124%0.238CC..EExtended strand (participates in β ladder)trans-140.9149.4169.970.20000112.4H14 F353 C354H14-S341 WeakPolarHBondContact NE2-CB 3.3Å; H14-S341 PolarHBondContact NE2-OG 3.29Å; S341-F353 CarbonylContact O-C 3.58Å; S341-F353 WeakPolarHBondContact O-CA 3.44Å; S341-C354 PolarHBondContact N-O 3.18Å; S341-C354 PolarHBondContact O-N 3.17Å
342M95.7Very high96.1Very high23 Ų2344.7 Ų44.711%0.11325%0.245CC..EExtended strand (participates in β ladder)trans-80.1130.2177.4-63.5-61.2-63.900111.3T261 I263 G346 R347 C350 F353T261-M342 HydrophobicContact CG2-SD 4.04Å; I263-M342 HydrophobicContact CG2-SD 4.23Å; M342-G346 VanDerWaalsContact CE-C 3.47Å; M342-G346 WeakPolarHBondContact CE-O 3.48Å; M342-R347 HydrophobicContact CG-CG 4.42Å; M342-C350 HydrophobicContact CE-CB 3.27Å; M342-C350 WeakPolarHBondContact CE-SG 3.33Å; M342-C350 HydrophobicContact SD-CB 4.32Å; M342-F353 HydrophobicContact SD-CB 4.21Å
343L96.2Very high96.3Very high17 Ų1742.6 Ų42.69%0.08923%0.234CC..EExtended strand (participates in β ladder)trans-98-50.9176.5-61.6-179.7000111.1W16 R20 K352 C354 I364W16-L343 HydrophobicContact CD2-CD2 3.69Å; W16-L343 VanDerWaalsContact CE2-CD2 3.44Å; W16-L343 HydrophobicContact CE3-CD2 4.33Å; W16-L343 HydrophobicContact CG-CD2 3.91Å; W16-L343 HydrophobicContact CH2-CD2 4.43Å; W16-L343 HydrophobicContact CZ2-CD2 3.84Å; R20-L343 HydrophobicContact CG-CD2 4.5Å; R20-L343 WeakPolarHBondContact CG-O 3.21Å; R20-L343 PolarHBondContact NE-O 3.21Å; R20-L343 VanDerWaalsContact NE-O 3.14Å; L343-K352 HydrophobicContact CB-CB 4.05Å; L343-K352 WeakPolarHBondContact CB-O 3.25Å; L343-K352 HydrophobicContact CD1-CB 4.44Å; L343-K352 PolarHBondContact N-O 2.88Å; L343-C354 HydrophobicContact CD1-CB 4.02Å; L343-C354 HydrophobicContact CD2-CB 3.94Å; L343-C354 HydrophobicContact CG-CB 3.94Å; L343-I364 HydrophobicContact CD1-CD1 4.33Å; L343-I364 HydrophobicContact CD1-CG1 4.13Å; L343-I364 HydrophobicContact CD1-CG2 3.88Å
344E96.1Very high96.4Very high82 Ų8242.6 Ų42.638%0.38323%0.234SC..EExtended strand (participates in β ladder)trans-134.1141.7-173.1-67.1175.1-160.800111.4G346 T351 K352E344-G346 VanDerWaalsContact C-N 3.31Å; E344-G346 PolarHBondContact O-N 3.38Å; E344-T351 WeakPolarHBondContact CB-OG1 3.47Å; E344-T351 PolarHBondContact O-N 2.92Å; E344-T351 PolarHBondContact O-OG1 3.07Å; E344-K352 HydrophobicContact CB-CB 4.18Å; E344-K352 HydrophobicContact CG-CB 4.41Å; E344-K352 PolarHBondContact N-O 2.93Å; E344-K352 VanDerWaalsContact N-O 3.15Å; E344-K352 IonicContact OE1-NZ 2.77Å; E344-K352 PolarHBondContact OE1-NZ 2.9Å; E344-K352 WeakPolarHBondContact OE2-CE 3.43Å; E344-K352 IonicContact OE2-NZ 2.67Å; E344-K352 PolarHBondContact OE2-NZ 2.8Å
345G94.3Very high96.6Very high53 Ų5337.5 Ų37.555%0.54621%0.212SC..SBendtrans84.1-11.1175.200000116.4Q349G345-Q349 CarbonylContact C-O 3.55Å; G345-Q349 VanDerWaalsContact CA-O 3.25Å; G345-Q349 WeakPolarHBondContact CA-O 3.43Å
346G94.3Very high96.7Very high35 Ų3534.3 Ų34.336%0.36120%0.195SC..THydrogen-bonded Turntrans63-170.5-179.700000112.7M342 E344 N348 C350M342-G346 VanDerWaalsContact CE-C 3.47Å; M342-G346 WeakPolarHBondContact CE-O 3.48Å; E344-G346 VanDerWaalsContact C-N 3.31Å; E344-G346 PolarHBondContact O-N 3.38Å; G346-N348 PolarHBondContact O-N 3.47Å; G346-C350 WeakPolarHBondContact O-CA 3.5Å; G346-C350 PolarHBondContact O-N 3.23Å
347R94.1Very high96.6Very high64 Ų6433.9 Ų33.924%0.24219%0.192CC..THydrogen-bonded Turntrans-74.6-9.6-174.1-61.7179.9-168.9166.31.7114.4D149 F220 H222 F262 I263 T264 M342D149-R347 VanDerWaalsContact CG-NH2 3.31Å; D149-R347 IonicContact OD1-CZ 3.39Å; D149-R347 IonicContact OD1-NH1 2.84Å; D149-R347 IonicContact OD1-NH2 3.06Å; D149-R347 PolarHBondContact OD1-NH2 2.75Å; D149-R347 IonicContact OD2-CZ 3.02Å; D149-R347 VanDerWaalsContact OD2-CZ 3.27Å; D149-R347 IonicContact OD2-NH1 3.35Å; D149-R347 PolarHBondContact OD2-NH1 3.36Å; D149-R347 IonicContact OD2-NH2 3.52Å; D149-R347 PolarHBondContact OD2-NH2 2.89Å; F220-R347 VanDerWaalsContact O-CD 3.27Å; F220-R347 WeakPolarHBondContact O-CD 3.46Å; F220-R347 PolarHBondContact O-NH1 2.89Å; H222-R347 HydrophobicContact CB-CB 3.95Å; F262-R347 HydrophobicContact CB-CB 4.25Å; I263-R347 CarbonylContact C-O 3.48Å; T264-R347 CarbonylContact C-O 3.59Å; T264-R347 VanDerWaalsContact C-O 3.28Å; T264-R347 WeakPolarHBondContact CA-O 3.31Å; T264-R347 PolarHBondContact N-O 2.91Å; M342-R347 HydrophobicContact CG-CG 4.42Å
348N93.4Very high96.5Very high80 Ų8037.1 Ų37.143%0.42821%0.208SC..THydrogen-bonded Turntrans-83.1-40.3178.7-167.632.7000112.1H222 T264 G346H222-N348 HydrophobicContact CB-CB 3.91Å; T264-N348 WeakPolarHBondContact CA-O 3.4Å; G346-N348 PolarHBondContact O-N 3.47Å
349Q94.6Very high96.4Very high137 Ų13736.4 Ų36.464%0.6420%0.201SC*.SBendtrans-150.565.6-174.4-165.1179.912.400110G345 T351G345-Q349 CarbonylContact C-O 3.55Å; G345-Q349 VanDerWaalsContact CA-O 3.25Å; G345-Q349 WeakPolarHBondContact CA-O 3.43Å; Q349-T351 PolarHBondContact O-N 2.73Å
350C96.6Very high96.3Very high10 Ų1034.8 Ų34.87%0.06819%0.194CC..  trans-51.8128.4175.5-172.90000110.8I263 M342 G346 V367I263-C350 HydrophobicContact CB-CB 3.45Å; I263-C350 VanDerWaalsContact CB-CB 3.45Å; I263-C350 HydrophobicContact CG2-CB 3.73Å; I263-C350 VanDerWaalsContact O-CB 3.29Å; I263-C350 WeakPolarHBondContact O-CB 3.39Å; I263-C350 PolarHBondContact O-N 3.18Å; M342-C350 HydrophobicContact CE-CB 3.27Å; M342-C350 WeakPolarHBondContact CE-SG 3.33Å; M342-C350 HydrophobicContact SD-CB 4.32Å; G346-C350 WeakPolarHBondContact O-CA 3.5Å; G346-C350 PolarHBondContact O-N 3.23Å; C350-V367 HydrophobicContact CB-CG2 4.3Å
351T96.4Very high96.2Very high39 Ų3933.9 Ų33.924%0.23919%0.189CC..SBendtrans-112.1-29.9167.947.80000111.5E344 Q349 V367E344-T351 WeakPolarHBondContact CB-OG1 3.47Å; E344-T351 PolarHBondContact O-N 2.92Å; E344-T351 PolarHBondContact O-OG1 3.07Å; Q349-T351 PolarHBondContact O-N 2.73Å; T351-V367 PolarHBondContact O-N 2.77Å
352K97.3Very high96.2Very high60 Ų6032.9 Ų32.926%0.26118%0.182SC..EExtended strand (participates in β ladder)trans-141.7140.3173.3-60.8-172.1-168.2121.60112.4L343 E344 W365 D366L343-K352 HydrophobicContact CB-CB 4.05Å; L343-K352 WeakPolarHBondContact CB-O 3.25Å; L343-K352 HydrophobicContact CD1-CB 4.44Å; L343-K352 PolarHBondContact N-O 2.88Å; E344-K352 HydrophobicContact CB-CB 4.18Å; E344-K352 HydrophobicContact CG-CB 4.41Å; E344-K352 PolarHBondContact N-O 2.93Å; E344-K352 VanDerWaalsContact N-O 3.15Å; E344-K352 IonicContact OE1-NZ 2.77Å; E344-K352 PolarHBondContact OE1-NZ 2.9Å; E344-K352 WeakPolarHBondContact OE2-CE 3.43Å; E344-K352 IonicContact OE2-NZ 2.67Å; E344-K352 PolarHBondContact OE2-NZ 2.8Å; K352-W365 WeakPolarHBondContact CA-O 3.25Å; K352-D366 VanDerWaalsContact CE-OD2 3.32Å; K352-D366 WeakPolarHBondContact CE-OD2 3.46Å; K352-D366 HydrophobicContact CG-CB 4.43Å
353F97.9Very high96.2Very high1 Ų131.8 Ų31.80%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-133162.5172.266.4-88.8000111.4V269 P277 L295 I340 S341 M342 T355 W365 V367 L370V269-F353 HydrophobicContact CG1-CE2 3.9Å; V269-F353 HydrophobicContact CG1-CZ 3.94Å; V269-F353 HydrophobicContact CG2-CE1 4.35Å; V269-F353 HydrophobicContact CG2-CZ 4.4Å; P277-F353 HydrophobicContact CB-CE2 4.2Å; P277-F353 HydrophobicContact CB-CZ 4.41Å; P277-F353 HydrophobicContact CG-CE2 4.35Å; P277-F353 HydrophobicContact CG-CZ 4.49Å; L295-F353 HydrophobicContact CD1-CZ 4.03Å; I340-F353 HydrophobicContact CG2-CD2 4.21Å; S341-F353 CarbonylContact O-C 3.58Å; S341-F353 WeakPolarHBondContact O-CA 3.44Å; M342-F353 HydrophobicContact SD-CB 4.21Å; F353-T355 HydrophobicContact CD2-CG2 4.46Å; F353-T355 HydrophobicContact CE2-CG2 4.3Å; F353-W365 HydrophobicContact CD1-CB 3.84Å; F353-W365 HydrophobicContact CD2-CB 3.88Å; F353-W365 AromaticContact CD2-CD1 3.54Å; F353-W365 AromaticContact CD2-CG 3.88Å; F353-W365 HydrophobicContact CD2-CG 3.88Å; F353-W365 HydrophobicContact CE1-CB 3.44Å; F353-W365 VanDerWaalsContact CE1-CB 3.44Å; F353-W365 HydrophobicContact CE1-CG 4.19Å; F353-W365 HydrophobicContact CE2-CB 3.48Å; F353-W365 VanDerWaalsContact CE2-CB 3.48Å; F353-W365 AromaticContact CE2-CD1 3.26Å; F353-W365 HydrophobicContact CE2-CD2 4.03Å; F353-W365 AromaticContact CE2-CG 3.29Å; F353-W365 HydrophobicContact CE2-CG 3.29Å; F353-W365 AromaticContact CE2-NE1 3.98Å; F353-W365 HydrophobicContact CG-CB 4.06Å; F353-W365 HydrophobicContact CZ-CB 3.24Å; F353-W365 AromaticContact CZ-CD1 3.95Å; F353-W365 HydrophobicContact CZ-CD2 4.12Å; F353-W365 AromaticContact CZ-CG 3.47Å; F353-W365 HydrophobicContact CZ-CG 3.47Å; F353-W365 VanDerWaalsContact CZ-CG 3.47Å; F353-W365 PolarHBondContact N-O 3.42Å; F353-W365 PolarHBondContact O-N 3.16Å; F353-V367 HydrophobicContact CD1-CG2 4.16Å; F353-V367 HydrophobicContact CE1-CG2 4.27Å; F353-L370 HydrophobicContact CE1-CD1 4.15Å; F353-L370 HydrophobicContact CZ-CD1 4.33Å
354C98Very high96.2Very high0 Ų032.4 Ų32.40%018%0.18CC..EExtended strand (participates in β ladder)trans-120141.7-177.4179.70000109.5I340 S341 L343 M362 G363I340-C354 CarbonylContact C-O 3.58Å; I340-C354 VanDerWaalsContact CA-O 3.25Å; I340-C354 WeakPolarHBondContact CA-O 3.34Å; S341-C354 PolarHBondContact N-O 3.18Å; S341-C354 PolarHBondContact O-N 3.17Å; L343-C354 HydrophobicContact CD1-CB 4.02Å; L343-C354 HydrophobicContact CD2-CB 3.94Å; L343-C354 HydrophobicContact CG-CB 3.94Å; C354-M362 WeakPolarHBondContact SG-CG 3.06Å; C354-G363 CarbonylContact C-O 3.55Å; C354-G363 VanDerWaalsContact CA-O 3.25Å; C354-G363 WeakPolarHBondContact CA-O 3.4Å
355T98.6Very high96.3Very high0 Ų028.5 Ų28.50%016%0.161CC..EExtended strand (participates in β ladder)trans-118.9142.6167.952.20000109.3H333 I337 Q339 I340 F353 M362 G363 W365H333-T355 PolarHBondContact NE2-OG1 2.89Å; I337-T355 HydrophobicContact CD1-CG2 4.28Å; I337-T355 HydrophobicContact CG2-CG2 3.94Å; Q339-T355 WeakPolarHBondContact O-CA 3.34Å; I340-T355 HydrophobicContact CG1-CG2 3.82Å; F353-T355 HydrophobicContact CD2-CG2 4.46Å; F353-T355 HydrophobicContact CE2-CG2 4.3Å; T355-M362 CarbonylContact O-C 3.52Å; T355-M362 VanDerWaalsContact O-CA 3.27Å; T355-M362 WeakPolarHBondContact O-CA 2.96Å; T355-G363 PolarHBondContact N-O 2.97Å; T355-G363 PolarHBondContact O-N 2.95Å; T355-G363 PolarHBondContact OG1-O 2.9Å; T355-W365 PolarHBondContact OG1-NE1 3.06Å
356T98.6Very high96.3Very high0 Ų027.8 Ų27.80%015%0.145CC..EExtended strand (participates in β ladder)trans-126.3148.1165.958.10000110.1I11 H14 S338 Q339 G361 M362I11-T356 HydrophobicContact CD1-CG2 4.2Å; I11-T356 HydrophobicContact CG2-CG2 4.16Å; H14-T356 HydrophobicContact CB-CG2 4.26Å; H14-T356 PolarHBondContact ND1-OG1 3.36Å; S338-T356 PolarHBondContact N-O 2.93Å; S338-T356 PolarHBondContact OG-O 3.11Å; Q339-T356 PolarHBondContact N-O 2.51Å; Q339-T356 PolarHBondContact O-N 2.83Å; T356-G361 VanDerWaalsContact CA-O 3.28Å; T356-G361 WeakPolarHBondContact CA-O 3.2Å; T356-M362 HydrophobicContact CG2-CB 4.23Å; T356-M362 HydrophobicContact CG2-CG 4.14Å
357G96.6Very high96.2Very high0 Ų026.5 Ų26.50%013%0.13CC..EExtended strand (participates in β ladder)trans-133.3174.8-171.300000115I11 S336 D359 G360 G361I11-G357 PolarHBondContact N-O 2.95Å; S336-G357 CarbonylContact O-C 3.55Å; S336-G357 VanDerWaalsContact O-CA 3.25Å; S336-G357 WeakPolarHBondContact O-CA 3.19Å; G357-D359 WeakPolarHBondContact CA-OD1 3.46Å; G357-D359 PolarHBondContact O-N 3.47Å; G357-G360 PolarHBondContact O-N 3.04Å; G357-G361 PolarHBondContact N-O 3.3Å; G357-G361 VanDerWaalsContact N-O 3.15Å
358M96.6Very high96Very high68 Ų6830.1 Ų30.134%0.33515%0.148SC..THydrogen-bonded Turntrans-72.60.6174.5-61.9-175.7-172.400113.3P10 L258 N335 S336P10-M358 HydrophobicContact CB-CB 4.3Å; P10-M358 HydrophobicContact CG-CB 4.25Å; L258-M358 HydrophobicContact CD1-CE 4.06Å; N335-M358 HydrophobicContact CB-CB 4Å; S336-M358 PolarHBondContact O-N 3.08Å
359D95.6Very high95.8Very high19 Ų1929.2 Ų29.210%0.10215%0.148CC..THydrogen-bonded Turntrans-96.29.3175.859.5-15.9000113.2Y3 H333 K334 N335 G357 G361Y3-D359 PolarHBondContact OH-OD2 3.24Å; Y3-D359 VanDerWaalsContact OH-OD2 3.1Å; H333-D359 WeakPolarHBondContact CA-OD2 3.39Å; H333-D359 VanDerWaalsContact CB-OD2 3.29Å; H333-D359 WeakPolarHBondContact CB-OD2 3.38Å; H333-D359 IonicContact CE1-OD1 2.86Å; H333-D359 IonicContact CG-OD2 2.78Å; H333-D359 IonicContact ND1-OD1 3.65Å; H333-D359 PolarHBondContact ND1-OD1 3.15Å; H333-D359 IonicContact ND1-OD2 3.04Å; H333-D359 PolarHBondContact ND1-OD2 2.83Å; H333-D359 VanDerWaalsContact ND1-OD2 3.08Å; K334-D359 HydrophobicContact CB-CB 4.3Å; K334-D359 PolarHBondContact N-OD2 2.87Å; N335-D359 HydrophobicContact CB-CB 3.8Å; G357-D359 WeakPolarHBondContact CA-OD1 3.46Å; G357-D359 PolarHBondContact O-N 3.47Å; D359-G361 PolarHBondContact O-N 3.29Å; D359-G361 VanDerWaalsContact O-N 3.17Å; D359-G361 PolarHBondContact OD1-N 3.02Å; D359-G361 VanDerWaalsContact OD1-N 3.17Å
360G95.5Very high95.6Very high0 Ų023.1 Ų23.10%012%0.12CC..SBendtrans68.811.5-175.700000114F6 L7 E9 G357F6-G360 PolarHBondContact N-O 3.29Å; L7-G360 WeakPolarHBondContact O-CA 3.34Å; E9-G360 WeakPolarHBondContact O-CA 3.44Å; E9-G360 PolarHBondContact O-N 2.94Å; E9-G360 VanDerWaalsContact O-N 3.07Å; G357-G360 PolarHBondContact O-N 3.04Å
361G96.1Very high95.1Very high0 Ų026.4 Ų26.40%013%0.134CC..EExtended strand (participates in β ladder)trans-94.9150.7-173.300000114.1Y3 H333 T356 G357 D359Y3-G361 WeakPolarHBondContact OH-CA 3.06Å; H333-G361 PolarHBondContact CE1-O 2.67Å; T356-G361 VanDerWaalsContact CA-O 3.28Å; T356-G361 WeakPolarHBondContact CA-O 3.2Å; G357-G361 PolarHBondContact N-O 3.3Å; G357-G361 VanDerWaalsContact N-O 3.15Å; D359-G361 PolarHBondContact O-N 3.29Å; D359-G361 VanDerWaalsContact O-N 3.17Å; D359-G361 PolarHBondContact OD1-N 3.02Å; D359-G361 VanDerWaalsContact OD1-N 3.17Å
362M97.5Very high94.6Very high3 Ų329.5 Ų29.52%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-124.2121.3166.7-177.7-155.66300110Y3 H4 F6 W16 I23 W42 C354 T355 T356 I364Y3-M362 WeakPolarHBondContact CA-O 3.31Å; H4-M362 HydrophobicContact CB-CE 4.11Å; H4-M362 PolarHBondContact N-O 3.32Å; H4-M362 PolarHBondContact O-N 2.97Å; F6-M362 HydrophobicContact CD2-CB 4.09Å; F6-M362 HydrophobicContact CE2-CB 3.66Å; F6-M362 HydrophobicContact CE2-CE 4.21Å; F6-M362 HydrophobicContact CE2-CG 4.32Å; F6-M362 HydrophobicContact CE2-SD 3.92Å; F6-M362 HydrophobicContact CZ-CE 4.49Å; F6-M362 HydrophobicContact CZ-SD 4.34Å; W16-M362 HydrophobicContact CH2-SD 4.04Å; W16-M362 HydrophobicContact CZ2-SD 3.59Å; W16-M362 VanDerWaalsContact CZ2-SD 3.59Å; I23-M362 HydrophobicContact CD1-CG 4.5Å; I23-M362 HydrophobicContact CD1-SD 3.86Å; W42-M362 HydrophobicContact CZ2-CE 3.9Å; W42-M362 HydrophobicContact CZ2-SD 4.45Å; C354-M362 WeakPolarHBondContact SG-CG 3.06Å; T355-M362 CarbonylContact O-C 3.52Å; T355-M362 VanDerWaalsContact O-CA 3.27Å; T355-M362 WeakPolarHBondContact O-CA 2.96Å; T356-M362 HydrophobicContact CG2-CB 4.23Å; T356-M362 HydrophobicContact CG2-CG 4.14Å; M362-I364 HydrophobicContact CE-CD1 3.8Å; M362-I364 HydrophobicContact CE-CG1 3.96Å; M362-I364 HydrophobicContact SD-CD1 4.47Å; M362-I364 HydrophobicContact SD-CG1 4.42Å
363G96.8Very high93.9Very high0 Ų030.5 Ų30.50%018%0.176CC..EExtended strand (participates in β ladder)trans-100.8133.6171.900000111.7A2 C354 T355A2-G363 CarbonylContact O-C 3.51Å; A2-G363 WeakPolarHBondContact O-CA 3.33Å; C354-G363 CarbonylContact C-O 3.55Å; C354-G363 VanDerWaalsContact CA-O 3.25Å; C354-G363 WeakPolarHBondContact CA-O 3.4Å; T355-G363 PolarHBondContact N-O 2.97Å; T355-G363 PolarHBondContact O-N 2.95Å; T355-G363 PolarHBondContact OG1-O 2.9Å
364I96.5Very high93.2Very high29 Ų2931.9 Ų31.915%0.14918%0.184CC..EExtended strand (participates in β ladder)trans-111.1126.1169.8-62.3176.9000109.1M1 A2 L343 M362M1-I364 CarbonylContact C-O 3.53Å; M1-I364 VanDerWaalsContact CA-O 3.28Å; M1-I364 WeakPolarHBondContact CA-O 3.48Å; A2-I364 PolarHBondContact N-O 2.92Å; A2-I364 PolarHBondContact O-N 2.83Å; L343-I364 HydrophobicContact CD1-CD1 4.33Å; L343-I364 HydrophobicContact CD1-CG1 4.13Å; L343-I364 HydrophobicContact CD1-CG2 3.88Å; M362-I364 HydrophobicContact CE-CD1 3.8Å; M362-I364 HydrophobicContact CE-CG1 3.96Å; M362-I364 HydrophobicContact SD-CD1 4.47Å; M362-I364 HydrophobicContact SD-CG1 4.42Å
365W96.6Very high92Very high0 Ų041.7 Ų41.70%023%0.226CC..EExtended strand (participates in β ladder)trans-117.6128.8-172.8-50.984.4000109.2M1 P277 D296 L332 K352 F353 T355 L370M1-W365 HydrophobicContact CG-CE3 3.74Å; M1-W365 HydrophobicContact CG-CZ3 3.96Å; M1-W365 HydrophobicContact SD-CE3 3.69Å; M1-W365 HydrophobicContact SD-CH2 4.26Å; M1-W365 HydrophobicContact SD-CZ3 3.31Å; M1-W365 WeakPolarHBondContact SD-CZ3 3.43Å; P277-W365 VanDerWaalsContact CD-CH2 3.45Å; P277-W365 HydrophobicContact CG-CD2 3.85Å; P277-W365 HydrophobicContact CG-CE3 3.81Å; P277-W365 HydrophobicContact CG-CH2 3.58Å; P277-W365 HydrophobicContact CG-CZ2 3.58Å; P277-W365 HydrophobicContact CG-CZ3 3.66Å; D296-W365 HydrophobicContact CB-CH2 3.82Å; D296-W365 HydrophobicContact CB-CZ3 3.94Å; L332-W365 HydrophobicContact CB-CH2 4.16Å; L332-W365 HydrophobicContact CD2-CH2 3.85Å; L332-W365 HydrophobicContact CD2-CZ2 3.79Å; K352-W365 WeakPolarHBondContact CA-O 3.25Å; F353-W365 HydrophobicContact CD1-CB 3.84Å; F353-W365 HydrophobicContact CD2-CB 3.88Å; F353-W365 AromaticContact CD2-CD1 3.54Å; F353-W365 AromaticContact CD2-CG 3.88Å; F353-W365 HydrophobicContact CD2-CG 3.88Å; F353-W365 HydrophobicContact CE1-CB 3.44Å; F353-W365 VanDerWaalsContact CE1-CB 3.44Å; F353-W365 HydrophobicContact CE1-CG 4.19Å; F353-W365 HydrophobicContact CE2-CB 3.48Å; F353-W365 VanDerWaalsContact CE2-CB 3.48Å; F353-W365 AromaticContact CE2-CD1 3.26Å; F353-W365 HydrophobicContact CE2-CD2 4.03Å; F353-W365 AromaticContact CE2-CG 3.29Å; F353-W365 HydrophobicContact CE2-CG 3.29Å; F353-W365 AromaticContact CE2-NE1 3.98Å; F353-W365 HydrophobicContact CG-CB 4.06Å; F353-W365 HydrophobicContact CZ-CB 3.24Å; F353-W365 AromaticContact CZ-CD1 3.95Å; F353-W365 HydrophobicContact CZ-CD2 4.12Å; F353-W365 AromaticContact CZ-CG 3.47Å; F353-W365 HydrophobicContact CZ-CG 3.47Å; F353-W365 VanDerWaalsContact CZ-CG 3.47Å; F353-W365 PolarHBondContact N-O 3.42Å; F353-W365 PolarHBondContact O-N 3.16Å; T355-W365 PolarHBondContact OG1-NE1 3.06Å; W365-L370 HydrophobicContact CB-CD1 4.4Å
366D95Very high91Very high38 Ų3848.9 Ų48.920%0.20326%0.264CS..EExtended strand (participates in β ladder)trans-108.6116.8179178-90.9000108.4K352 K368 S369 L370K352-D366 VanDerWaalsContact CE-OD2 3.32Å; K352-D366 WeakPolarHBondContact CE-OD2 3.46Å; K352-D366 HydrophobicContact CG-CB 4.43Å; D366-K368 PolarHBondContact O-N 2.93Å; D366-K368 PolarHBondContact OD1-N 2.62Å; D366-S369 WeakPolarHBondContact O-CB 3.05Å; D366-S369 PolarHBondContact O-N 3.32Å; D366-S369 VanDerWaalsContact OD1-CB 3.26Å; D366-S369 WeakPolarHBondContact OD1-CB 3.45Å; D366-S369 PolarHBondContact OD1-N 3.02Å; D366-S369 PolarHBondContact OD1-OG 2.83Å; D366-L370 WeakPolarHBondContact O-CG 3.14Å; D366-L370 PolarHBondContact O-N 3.02Å
367V92.9Very high90.2Very high9 Ų949.8 Ų49.86%0.05527%0.269CS..Hα-helixtrans-63.5-43.3-170.1176.60000111C350 T351 F353 S369 L370 E371 I379C350-V367 HydrophobicContact CB-CG2 4.3Å; T351-V367 PolarHBondContact O-N 2.77Å; F353-V367 HydrophobicContact CD1-CG2 4.16Å; F353-V367 HydrophobicContact CE1-CG2 4.27Å; V367-S369 VanDerWaalsContact C-N 3.31Å; V367-S369 PolarHBondContact O-N 3.39Å; V367-L370 WeakPolarHBondContact O-CA 3.43Å; V367-L370 WeakPolarHBondContact O-CB 3.16Å; V367-L370 PolarHBondContact O-N 3.45Å; V367-E371 HydrophobicContact CG1-CG 4.49Å; V367-E371 WeakPolarHBondContact O-CG 3Å; V367-E371 PolarHBondContact O-N 3.38Å; V367-I379 HydrophobicContact CG1-CD1 3.32Å
368K89.6Confident89.4Confident139 Ų13957.4 Ų57.460%0.60430%0.302SS*.Hα-helixtrans-61.4-40.1177.5-68.2-175.7177.3-178.50112.3D366 L370 S372D366-K368 PolarHBondContact O-N 2.93Å; D366-K368 PolarHBondContact OD1-N 2.62Å; K368-L370 VanDerWaalsContact C-N 3.3Å; K368-S372 WeakPolarHBondContact O-CB 3.1Å; K368-S372 PolarHBondContact O-N 3.28Å; K368-S372 PolarHBondContact O-OG 3.14Å
369S89.3Confident88.7Confident62 Ų6256 Ų5643%0.43430%0.296SS..Hα-helixtrans-64.7-36.2175.6-59.80000111.8D366 V367 A373D366-S369 WeakPolarHBondContact O-CB 3.05Å; D366-S369 PolarHBondContact O-N 3.32Å; D366-S369 VanDerWaalsContact OD1-CB 3.26Å; D366-S369 WeakPolarHBondContact OD1-CB 3.45Å; D366-S369 PolarHBondContact OD1-N 3.02Å; D366-S369 PolarHBondContact OD1-OG 2.83Å; V367-S369 VanDerWaalsContact C-N 3.31Å; V367-S369 PolarHBondContact O-N 3.39Å; S369-A373 WeakPolarHBondContact O-CB 3.31Å; S369-A373 PolarHBondContact O-N 3.12Å; S369-A373 VanDerWaalsContact O-N 3.11Å
370L88.9Confident87.8Confident8 Ų860.1 Ų60.14%0.04232%0.322CS..Hα-helixtrans-68.2-49175.9-67.7171.7000111.2M1 L295 F353 W365 D366 V367 K368 S372 A373 M374 L377M1-L370 HydrophobicContact CG-CD2 4.38Å; M1-L370 HydrophobicContact SD-CD2 4.25Å; L295-L370 HydrophobicContact CB-CD1 4.23Å; L295-L370 HydrophobicContact CB-CD2 4.39Å; L295-L370 HydrophobicContact CD1-CD1 4.3Å; L295-L370 HydrophobicContact CD2-CD1 4.38Å; L295-L370 WeakPolarHBondContact O-CD2 3.38Å; F353-L370 HydrophobicContact CE1-CD1 4.15Å; F353-L370 HydrophobicContact CZ-CD1 4.33Å; W365-L370 HydrophobicContact CB-CD1 4.4Å; D366-L370 WeakPolarHBondContact O-CG 3.14Å; D366-L370 PolarHBondContact O-N 3.02Å; V367-L370 WeakPolarHBondContact O-CA 3.43Å; V367-L370 WeakPolarHBondContact O-CB 3.16Å; V367-L370 PolarHBondContact O-N 3.45Å; K368-L370 VanDerWaalsContact C-N 3.3Å; L370-S372 VanDerWaalsContact C-N 3.28Å; L370-S372 PolarHBondContact O-N 2.77Å; L370-A373 PolarHBondContact O-N 3.4Å; L370-A373 VanDerWaalsContact O-N 3.08Å; L370-M374 HydrophobicContact CB-CE 3.67Å; L370-M374 HydrophobicContact CD2-CE 3.87Å; L370-M374 HydrophobicContact CG-CE 4.33Å; L370-M374 WeakPolarHBondContact O-CE 3.34Å; L370-M374 PolarHBondContact O-N 3.26Å; L370-L377 HydrophobicContact CB-CD2 4.23Å
371E87.4Confident87.5Confident80 Ų8063.2 Ų63.237%0.37434%0.338SS..Hα-helixtrans-56.5-42.7174.8-69.2176.2137.200111.7V367 A373 M374 L377 I379V367-E371 HydrophobicContact CG1-CG 4.49Å; V367-E371 WeakPolarHBondContact O-CG 3Å; V367-E371 PolarHBondContact O-N 3.38Å; E371-A373 VanDerWaalsContact C-N 3.3Å; E371-A373 PolarHBondContact O-N 3.35Å; E371-M374 CarbonylContact O-C 3.55Å; E371-M374 PolarHBondContact O-N 2.78Å; E371-L377 HydrophobicContact CG-CD2 4.07Å; E371-I379 HydrophobicContact CG-CD1 4.04Å
372S85.8Confident87Confident103 Ų10366.5 Ų66.572%0.7236%0.355SS*.Hα-helixtrans-65.9-32.1177.9-600000113K368 L370K368-S372 WeakPolarHBondContact O-CB 3.1Å; K368-S372 PolarHBondContact O-N 3.28Å; K368-S372 PolarHBondContact O-OG 3.14Å; L370-S372 VanDerWaalsContact C-N 3.28Å; L370-S372 PolarHBondContact O-N 2.77Å
373A83Confident86.4Confident81 Ų8170 Ų7067%0.66937%0.374SS*.Hα-helixtrans-81.6-24.8179.300000112.9S369 L370 E371S369-A373 WeakPolarHBondContact O-CB 3.31Å; S369-A373 PolarHBondContact O-N 3.12Å; S369-A373 VanDerWaalsContact O-N 3.11Å; L370-A373 PolarHBondContact O-N 3.4Å; L370-A373 VanDerWaalsContact O-N 3.08Å; E371-A373 VanDerWaalsContact C-N 3.3Å; E371-A373 PolarHBondContact O-N 3.35Å
374M82.4Confident85.8Confident31 Ų3174.1 Ų74.115%0.15340%0.396CS..  trans-123.593.1-173.3-66.9179.9-82.200110.9K294 L295 V297 L370 E371 N376 L377K294-M374 VanDerWaalsContact O-SD 3.36Å; L295-M374 HydrophobicContact CD2-CE 3.76Å; V297-M374 HydrophobicContact CG2-CG 4.08Å; V297-M374 HydrophobicContact CG2-SD 3.66Å; L370-M374 HydrophobicContact CB-CE 3.67Å; L370-M374 HydrophobicContact CD2-CE 3.87Å; L370-M374 HydrophobicContact CG-CE 4.33Å; L370-M374 WeakPolarHBondContact O-CE 3.34Å; L370-M374 PolarHBondContact O-N 3.26Å; E371-M374 CarbonylContact O-C 3.55Å; E371-M374 PolarHBondContact O-N 2.78Å; M374-N376 PolarHBondContact O-N 3.4Å; M374-L377 HydrophobicContact CB-CB 3.79Å; M374-L377 HydrophobicContact CE-CD1 4.13Å; M374-L377 HydrophobicContact CE-CD2 3.77Å; M374-L377 HydrophobicContact CE-CG 4.43Å; M374-L377 WeakPolarHBondContact O-CB 3.34Å; M374-L377 PolarHBondContact O-N 2.9Å; M374-L377 HydrophobicContact SD-CD1 4.22Å
375K72.6Confident85.2Confident206 Ų20676.9 Ų76.990%0.89641%0.412SS*.THydrogen-bonded Turntrans-54.9-23.4-177.1-69.2-176.5177.2-178.90115.4
376N77.3Confident84.4Confident150 Ų15082.1 Ų82.180%0.80244%0.439SS*.THydrogen-bonded Turntrans-102.11.8-178.5-63.8-17.5000113.3M374 K378M374-N376 PolarHBondContact O-N 3.4Å; N376-K378 PolarHBondContact O-N 3.22Å
377L82.4Confident83.6Confident20 Ų2085.2 Ų85.211%0.10546%0.456CS..  trans-71.9119.7177.9-165.277.6000109.2L279 L295 L370 E371 M374 I379L279-L377 HydrophobicContact CB-CD1 4.37Å; L279-L377 HydrophobicContact CD2-CD1 3.42Å; L279-L377 VanDerWaalsContact CD2-CD1 3.42Å; L279-L377 HydrophobicContact CD2-CG 3.87Å; L295-L377 HydrophobicContact CD2-CD1 3.69Å; L295-L377 HydrophobicContact CD2-CD2 4.07Å; L370-L377 HydrophobicContact CB-CD2 4.23Å; E371-L377 HydrophobicContact CG-CD2 4.07Å; M374-L377 HydrophobicContact CB-CB 3.79Å; M374-L377 HydrophobicContact CE-CD1 4.13Å; M374-L377 HydrophobicContact CE-CD2 3.77Å; M374-L377 HydrophobicContact CE-CG 4.43Å; M374-L377 WeakPolarHBondContact O-CB 3.34Å; M374-L377 PolarHBondContact O-N 2.9Å; M374-L377 HydrophobicContact SD-CD1 4.22Å; L377-I379 HydrophobicContact CD2-CD1 4.01Å; L377-I379 HydrophobicContact CD2-CG1 4.3Å; L377-I379 HydrophobicContact CG-CG1 4.4Å
378K80.3Confident82.9Confident159 Ų15991.1 Ų91.169%0.69149%0.487SS*.  trans-113107176-65.1-173.7-179.2-179.20109.2V281 N376V281-K378 WeakPolarHBondContact CG2-O 3.36Å; N376-K378 PolarHBondContact O-N 3.22Å
379I82Confident82.4Confident38 Ų3887.1 Ų87.120%0.19548%0.477CS..  trans-99.4122.2168.2-61.4175000106.1I263 T264 L279 V367 E371 L377I263-I379 HydrophobicContact CD1-CD1 4Å; I263-I379 HydrophobicContact CD1-CG1 4.28Å; I263-I379 HydrophobicContact CD1-CG2 3.96Å; T264-I379 HydrophobicContact CG2-CG2 3.66Å; L279-I379 HydrophobicContact CD1-CG1 4.31Å; L279-I379 HydrophobicContact CD2-CG1 4.04Å; V367-I379 HydrophobicContact CG1-CD1 3.32Å; E371-I379 HydrophobicContact CG-CD1 4.04Å; L377-I379 HydrophobicContact CD2-CD1 4.01Å; L377-I379 HydrophobicContact CD2-CG1 4.3Å; L377-I379 HydrophobicContact CG-CG1 4.4Å
380V77.1Confident81.7Confident107 Ų10789.4 Ų89.465%0.64848%0.481SS*.  trans-1180-173.2-173.50000110.3T264 N266 S267 V281T264-V380 WeakPolarHBondContact CB-O 3.26Å; T264-V380 PolarHBondContact OG1-O 3Å; N266-V380 HydrophobicContact CB-CB 4.46Å; S267-V380 PolarHBondContact OG-N 3.21Å; S267-V380 PolarHBondContact OG-O 2.69Å; V281-V380 HydrophobicContact CG1-CB 4.47Å; V281-V380 HydrophobicContact CG1-CG2 4.34Å

Retrieved 380 of 380 residues in 326.8 ms (Link to these results)

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