A0A087XJ99_POEFO Loading...

Eukaryotic translation initiation factor 3 subunit I

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is required for several steps in the initiation of protein synthesis. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression.

AlphaFold DB , UniProt , Accession A0A087XJ99, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF3I, Length 325 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M66.5Low85.9Confident76 Ų7688.9 Ų88.937%0.37443%0.43SS..  0118.60-50.2-176.2-137.500109.8Y313 F314 D315 Y318M1-Y313 WeakPolarHBondContact CB-O 3.4Å; M1-Y313 WeakPolarHBondContact CG-O 3.48Å; M1-F314 HydrophobicContact CE-CD1 3.32Å; M1-F314 HydrophobicContact CE-CE1 3.65Å; M1-F314 HydrophobicContact SD-CD1 3.29Å; M1-F314 WeakPolarHBondContact SD-CD1 3.12Å; M1-F314 HydrophobicContact SD-CE1 3.69Å; M1-F314 HydrophobicContact SD-CG 4.16Å; M1-D315 WeakPolarHBondContact CA-OD2 3.25Å; M1-D315 PolarHBondContact N-OD2 2.89Å; M1-Y318 HydrophobicContact CE-CD2 4.02Å; M1-Y318 HydrophobicContact CE-CG 4.49Å
2K71.5Confident86.4Confident191 Ų19182.9 Ų82.983%0.8341%0.405SS*.PPolyproline II helixtrans-92.4116.1168.9-77.6-178.8179.8175.80108.3
3P84.9Confident87.1Confident65 Ų6576.5 Ų76.542%0.42237%0.373SS..PPolyproline II helixtrans-72.8139.3178.826.6-31000111.3I311P3-I311 CarbonylContact C-O 3.57Å; P3-I311 VanDerWaalsContact CA-O 3.24Å; P3-I311 WeakPolarHBondContact CA-O 3.38Å
4I89.8Confident87.6Confident55 Ų5572.8 Ų72.828%0.28236%0.357SS..EExtended strand (participates in β ladder)trans-83.1125.4164.3-53.4-175.6000107.2L6 R310 I311 Y313I4-L6 HydrophobicContact CG2-CD2 4.05Å; I4-R310 WeakPolarHBondContact O-CA 3.47Å; I4-I311 HydrophobicContact CB-CB 4.37Å; I4-I311 PolarHBondContact N-O 2.74Å; I4-I311 PolarHBondContact O-N 3.5Å; I4-Y313 HydrophobicContact CD1-CD2 4.22Å; I4-Y313 HydrophobicContact CD1-CE2 3.61Å; I4-Y313 HydrophobicContact CG1-CD2 4.43Å; I4-Y313 HydrophobicContact CG1-CE2 4.21Å
5L91.2Very high88Confident75 Ų7570.1 Ų70.139%0.39334%0.343SS..EExtended strand (participates in β ladder)trans-95116.5177.2-172.273.4000109.3Q7 Y308 R310L5-Q7 HydrophobicContact CD2-CG 4.14Å; L5-Q7 HydrophobicContact CG-CG 4.23Å; L5-Y308 HydrophobicContact CD1-CD2 4.47Å; L5-Y308 HydrophobicContact CD1-CG 4.02Å; L5-R310 HydrophobicContact CD1-CG 3.61Å
6L92.1Very high88.5Confident5 Ų565.8 Ų65.83%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-94.8119.1174.9-53.5-178.5000109.5I4 L25 W37 G42 V309 I311I4-L6 HydrophobicContact CG2-CD2 4.05Å; L6-L25 HydrophobicContact CD1-CD2 3.99Å; L6-W37 HydrophobicContact CB-CD2 4.31Å; L6-W37 HydrophobicContact CB-CE3 4.24Å; L6-W37 HydrophobicContact CB-CH2 4.34Å; L6-W37 HydrophobicContact CB-CZ2 4.39Å; L6-W37 HydrophobicContact CB-CZ3 4.24Å; L6-W37 HydrophobicContact CD1-CB 3.96Å; L6-W37 HydrophobicContact CD1-CD2 3.77Å; L6-W37 HydrophobicContact CD1-CE3 4.14Å; L6-W37 HydrophobicContact CD1-CG 3.66Å; L6-W37 HydrophobicContact CD2-CD2 4.45Å; L6-W37 HydrophobicContact CD2-CE3 3.97Å; L6-W37 HydrophobicContact CD2-CZ3 4.38Å; L6-W37 HydrophobicContact CG-CD2 4.41Å; L6-W37 HydrophobicContact CG-CE3 4.35Å; L6-G42 WeakPolarHBondContact CD2-O 3.37Å; L6-V309 HydrophobicContact CB-CB 4.12Å; L6-V309 HydrophobicContact CD1-CB 4.22Å; L6-V309 HydrophobicContact CD1-CG1 4.07Å; L6-V309 PolarHBondContact N-O 2.88Å; L6-V309 PolarHBondContact O-N 2.84Å; L6-I311 HydrophobicContact CD1-CD1 3.61Å; L6-I311 HydrophobicContact CD1-CG1 3.88Å; L6-I311 HydrophobicContact CD2-CD1 4.34Å; L6-I311 HydrophobicContact CG-CD1 4.19Å; L6-I311 HydrophobicContact CG-CG1 4.28Å
7Q89.8Confident88.8Confident127 Ų12764.6 Ų64.659%0.59332%0.315SS*.  trans-110.7105177.2-58.9-169.6-23.700108.8L5 Y308L5-Q7 HydrophobicContact CD2-CG 4.14Å; L5-Q7 HydrophobicContact CG-CG 4.23Å; Q7-Y308 HydrophobicContact CB-CD1 4.37Å; Q7-Y308 HydrophobicContact CB-CE1 4.3Å; Q7-Y308 HydrophobicContact CG-CD1 3.75Å; Q7-Y308 HydrophobicContact CG-CE1 3.7Å
8G87.2Confident89.2Confident28 Ų2862.1 Ų62.129%0.28930%0.302SS..  trans-155.9-5.2174.900000114.8N35G8-N35 PolarHBondContact O-ND2 2.92Å
9H90.9Very high89.4Confident14 Ų1458.8 Ų58.87%0.06529%0.286CS..  trans-112143.5174-68.6-71.2000109.4I13 S27 A29 D31 V33 N35H9-I13 HydrophobicContact CB-CD1 3.71Å; H9-I13 VanDerWaalsContact CD2-CD1 3.42Å; H9-I13 WeakPolarHBondContact CD2-CD1 3.4Å; H9-S27 PolarHBondContact NE2-O 3.24Å; H9-S27 PolarHBondContact NE2-OG 3.06Å; H9-A29 HydrophobicContact CB-CB 3.96Å; H9-A29 WeakPolarHBondContact ND1-CB 3.43Å; H9-D31 WeakPolarHBondContact CA-OD2 3.27Å; H9-D31 VanDerWaalsContact CB-OD2 3.27Å; H9-D31 WeakPolarHBondContact CB-OD2 3.32Å; H9-D31 IonicContact CG-OD2 4Å; H9-D31 IonicContact ND1-OD2 2.9Å; H9-D31 PolarHBondContact ND1-OD2 2.68Å; H9-V33 PolarHBondContact CE1-O 3.39Å; H9-N35 PolarHBondContact CD2-ND2 2.83Å; H9-N35 PolarHBondContact CE1-ND2 2.81Å; H9-N35 PolarHBondContact ND1-ND2 3.13Å; H9-N35 PolarHBondContact NE2-ND2 2.87Å
10E89.6Confident89.3Confident189 Ų18960 Ų6088%0.88329%0.287SS*.SBendtrans-96.9-18.4176-66-171.9169.900111.5D31E10-D31 PolarHBondContact N-OD2 3.22Å
11R92Very high89.3Confident153 Ų15364 Ų6458%0.57731%0.305SS*.SBendtrans-118.6168.9179.3-63.3176.6171.3-165.9-1.6112.1I13 K30 D31 G307R11-I13 PolarHBondContact O-N 2.99Å; R11-K30 HydrophobicContact CB-CB 4.01Å; R11-K30 VanDerWaalsContact CD-O 3.22Å; R11-K30 WeakPolarHBondContact CD-O 2.92Å; R11-K30 PolarHBondContact NH1-O 3.49Å; R11-D31 WeakPolarHBondContact CB-OD1 3.43Å; R11-D31 VanDerWaalsContact CD-OD1 3.27Å; R11-D31 WeakPolarHBondContact CD-OD1 3.24Å; R11-D31 WeakPolarHBondContact CG-OD1 3.42Å; R11-D31 PolarHBondContact N-OD1 3.09Å; R11-D31 PolarHBondContact N-OD2 2.81Å; R11-G307 WeakPolarHBondContact O-CA 3.33Å
12S91.8Very high90.4Very high17 Ų1760.3 Ų60.312%0.11929%0.288CS..  trans-50131178.4-46.90000112.6A29 K30 E305S12-A29 VanDerWaalsContact O-CA 3.32Å; S12-A29 WeakPolarHBondContact O-CA 3.25Å; S12-A29 WeakPolarHBondContact O-CB 3.47Å; S12-K30 PolarHBondContact O-N 3.32Å; S12-E305 WeakPolarHBondContact CA-O 3.08Å; S12-E305 WeakPolarHBondContact CB-O 3.36Å; S12-E305 WeakPolarHBondContact OG-CG 3.44Å; S12-E305 PolarHBondContact OG-O 2.9Å
13I95.1Very high91.4Very high0 Ų054.4 Ų54.40%027%0.265CS..EExtended strand (participates in β ladder)trans-67.2136.5174.6-52.1-55.7000108.9H9 R11 I16 V28 A29 N289 C290 G304 V309H9-I13 HydrophobicContact CB-CD1 3.71Å; H9-I13 VanDerWaalsContact CD2-CD1 3.42Å; H9-I13 WeakPolarHBondContact CD2-CD1 3.4Å; R11-I13 PolarHBondContact O-N 2.99Å; I13-I16 HydrophobicContact CG2-CD1 4.1Å; I13-I16 HydrophobicContact CG2-CG1 3.83Å; I13-V28 VanDerWaalsContact CG2-O 3.27Å; I13-V28 WeakPolarHBondContact CG2-O 3.02Å; I13-A29 HydrophobicContact CD1-CB 4.03Å; I13-N289 VanDerWaalsContact O-CB 3.3Å; I13-N289 WeakPolarHBondContact O-CB 3.45Å; I13-N289 PolarHBondContact O-ND2 3.3Å; I13-C290 VanDerWaalsContact CG2-SG 3.6Å; I13-G304 PolarHBondContact N-O 3.39Å; I13-G304 VanDerWaalsContact N-O 3.14Å; I13-V309 HydrophobicContact CD1-CG2 3.78Å; I13-V309 HydrophobicContact CG1-CG2 3.87Å; I13-V309 HydrophobicContact CG2-CG2 4.34Å
14T93.8Very high91.8Very high24 Ų2451.8 Ų51.815%0.14725%0.248CC..EExtended strand (participates in β ladder)trans-101.8-48.6-179.9460000110.7V28 A29 K30 V55 W56T14-V28 PolarHBondContact N-O 3.2Å; T14-V28 VanDerWaalsContact OG1-C 3.23Å; T14-V28 WeakPolarHBondContact OG1-CG2 3.2Å; T14-V28 PolarHBondContact OG1-O 3.14Å; T14-V28 VanDerWaalsContact OG1-O 3.07Å; T14-A29 PolarHBondContact OG1-N 2.79Å; T14-K30 HydrophobicContact CG2-CG 3.76Å; T14-V55 PolarHBondContact OG1-O 3.34Å; T14-W56 WeakPolarHBondContact CB-O 3.49Å; T14-W56 HydrophobicContact CG2-CE3 3.58Å; T14-W56 HydrophobicContact CG2-CZ3 3.81Å; T14-W56 PolarHBondContact OG1-O 3.46Å
15Q94.2Very high92.1Very high32 Ų3249.2 Ų49.215%0.1523%0.234CC..EExtended strand (participates in β ladder)trans-147.4151178.3-161.8173.115.200111.5V28 V58Q15-V28 HydrophobicContact CB-CG2 3.72Å; Q15-V28 PolarHBondContact N-O 3.31Å; Q15-V28 VanDerWaalsContact O-CG2 3.31Å; Q15-V28 WeakPolarHBondContact O-CG2 3.21Å; Q15-V28 PolarHBondContact O-N 2.95Å; Q15-V58 VanDerWaalsContact OE1-N 3.17Å
16I95.3Very high92.3Very high1 Ų145.8 Ų45.81%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-129137.8171.4-66.5164.6000107.7I13 L25 F26 C290 A292 G303 V309I13-I16 HydrophobicContact CG2-CD1 4.1Å; I13-I16 HydrophobicContact CG2-CG1 3.83Å; I16-L25 HydrophobicContact CG2-CD1 3.26Å; I16-L25 HydrophobicContact CG2-CD2 4.43Å; I16-L25 HydrophobicContact CG2-CG 4Å; I16-F26 WeakPolarHBondContact CA-O 3.23Å; I16-C290 VanDerWaalsContact CG1-SG 3.57Å; I16-A292 HydrophobicContact CG2-CB 4.15Å; I16-G303 VanDerWaalsContact CD1-CA 3.45Å; I16-G303 VanDerWaalsContact CD1-N 3.27Å; I16-V309 HydrophobicContact CD1-CB 4.39Å; I16-V309 HydrophobicContact CD1-CG1 3.65Å; I16-V309 HydrophobicContact CD1-CG2 4Å; I16-V309 HydrophobicContact CG1-CG1 4.43Å; I16-V309 HydrophobicContact CG1-CG2 4.36Å
17K94.8Very high92.5Very high46 Ų4645.5 Ų45.520%0.222%0.215CC..EExtended strand (participates in β ladder)trans-137.7138.5172.8-77.4-65.5-168.5172.60110.3F26 V58K17-F26 PolarHBondContact N-O 3.43Å; K17-F26 PolarHBondContact O-N 3.34Å; K17-V58 HydrophobicContact CB-CG1 4.44Å; K17-V58 VanDerWaalsContact CG-O 3.3Å; K17-V58 WeakPolarHBondContact CG-O 3.27Å
18Y94.7Very high92.7Very high19 Ų1939.5 Ų39.58%0.07519%0.187CC..EExtended strand (participates in β ladder)trans-88151.3165.9-75.7-92.4000109.3L24 L25 A292 F293 H294 S301Y18-L24 WeakPolarHBondContact CA-O 3.46Å; Y18-L25 HydrophobicContact CD1-CD1 3.83Å; Y18-L25 HydrophobicContact CD2-CD1 3.71Å; Y18-L25 HydrophobicContact CE1-CB 4.45Å; Y18-L25 HydrophobicContact CE1-CD1 3.73Å; Y18-L25 HydrophobicContact CE2-CD1 3.58Å; Y18-L25 HydrophobicContact CG-CD1 3.85Å; Y18-A292 HydrophobicContact CD2-CB 3.92Å; Y18-A292 HydrophobicContact CE2-CB 4.08Å; Y18-F293 VanDerWaalsContact CD2-O 3.24Å; Y18-F293 WeakPolarHBondContact CD2-O 3.35Å; Y18-H294 HydrophobicContact CD1-CB 4.34Å; Y18-H294 AromaticContact CD1-CD2 3.93Å; Y18-H294 HydrophobicContact CE1-CB 4.01Å; Y18-H294 AromaticContact CE1-CD2 3.65Å; Y18-H294 HydrophobicContact CE2-CB 4.46Å; Y18-S301 WeakPolarHBondContact OH-CB 3.38Å; Y18-S301 PolarHBondContact OH-N 3.42Å; Y18-S301 PolarHBondContact OH-OG 3.46Å
19N93.1Very high93.1Very high1 Ų138.1 Ų38.11%0.00517%0.173CC..  trans-73171161.877.4-39.9000111.2G22 D23 L24 F26 C60 T64 P295N19-G22 PolarHBondContact O-N 2.94Å; N19-G22 VanDerWaalsContact OD1-C 3.27Å; N19-G22 WeakPolarHBondContact OD1-CA 3.3Å; N19-G22 PolarHBondContact OD1-N 3.16Å; N19-D23 PolarHBondContact ND2-OD1 3.18Å; N19-D23 PolarHBondContact OD1-N 2.9Å; N19-D23 PolarHBondContact OD1-OD1 3.12Å; N19-L24 HydrophobicContact CB-CB 4.37Å; N19-L24 PolarHBondContact N-O 3.32Å; N19-L24 VanDerWaalsContact N-O 3.12Å; N19-L24 PolarHBondContact OD1-N 2.98Å; N19-L24 PolarHBondContact OD1-O 3.43Å; N19-L24 VanDerWaalsContact OD1-O 3.09Å; N19-F26 HydrophobicContact CB-CE2 4.15Å; N19-C60 VanDerWaalsContact CA-SG 3.56Å; N19-T64 HydrophobicContact CB-CG2 3.89Å; N19-T64 PolarHBondContact ND2-OG1 3.01Å; N19-P295 WeakPolarHBondContact O-CG 3.45Å
20R87.7Confident93.2Very high81 Ų8140.8 Ų40.831%0.30618%0.184SC..SBendtrans-73.2-32.3-176-59.2-63.5-79.2177.71.7113.1G22 W62 V198 P295R20-G22 PolarHBondContact O-N 3.08Å; R20-W62 HydrophobicContact CG-CD2 4.04Å; R20-W62 HydrophobicContact CG-CE3 3.89Å; R20-W62 HydrophobicContact CG-CG 4.46Å; R20-W62 HydrophobicContact CG-CZ3 4.38Å; R20-W62 VanDerWaalsContact NE-CH2 3.27Å; R20-W62 VanDerWaalsContact NE-CZ3 3.26Å; R20-V198 PolarHBondContact NH2-O 2.92Å; R20-P295 WeakPolarHBondContact O-CB 3.22Å; R20-P295 WeakPolarHBondContact O-CG 3.28Å
21E89.1Confident93.3Very high144 Ų14432.9 Ų32.967%0.67315%0.148SC*.SBendtrans-72.1-20.4172.4-59.1-60.5145.200112.1D23E21-D23 VanDerWaalsContact C-N 3.27Å; E21-D23 PolarHBondContact O-N 3.46Å
22G89.4Confident93.2Very high0 Ų028.6 Ų28.60%014%0.139CC..SBendtrans79.8-4.2176.300000115.2N19 R20 L24 S39 H294N19-G22 PolarHBondContact O-N 2.94Å; N19-G22 VanDerWaalsContact OD1-C 3.27Å; N19-G22 WeakPolarHBondContact OD1-CA 3.3Å; N19-G22 PolarHBondContact OD1-N 3.16Å; R20-G22 PolarHBondContact O-N 3.08Å; G22-L24 VanDerWaalsContact C-N 3.32Å; G22-L24 PolarHBondContact O-N 3.11Å; G22-S39 VanDerWaalsContact O-CB 3.26Å; G22-S39 WeakPolarHBondContact O-CB 3.17Å; G22-S39 PolarHBondContact O-OG 3.04Å; G22-H294 WeakPolarHBondContact CA-NE2 3.04Å; G22-H294 PolarHBondContact O-CD2 2.97Å; G22-H294 VanDerWaalsContact O-CD2 3.31Å; G22-H294 PolarHBondContact O-NE2 2.58Å
23D92.4Very high93.2Very high67 Ų6729.2 Ų29.236%0.35814%0.142SC..SBendtrans-70-26.3177.465.6-40.9000113.3N19 E21 Y38 S39N19-D23 PolarHBondContact ND2-OD1 3.18Å; N19-D23 PolarHBondContact OD1-N 2.9Å; N19-D23 PolarHBondContact OD1-OD1 3.12Å; E21-D23 VanDerWaalsContact C-N 3.27Å; E21-D23 PolarHBondContact O-N 3.46Å; D23-Y38 CarbonylContact O-C 3.52Å; D23-Y38 WeakPolarHBondContact O-CA 3.08Å; D23-S39 PolarHBondContact O-N 2.79Å; D23-S39 PolarHBondContact O-OG 3.36Å
24L94.6Very high93.2Very high10 Ų1029.4 Ų29.45%0.05214%0.143CC..EExtended strand (participates in β ladder)trans-112.9142.3-179.1-60.5-178000113.1Y18 N19 G22 F26 V36 W37 Y38 L45 T64Y18-L24 WeakPolarHBondContact CA-O 3.46Å; N19-L24 HydrophobicContact CB-CB 4.37Å; N19-L24 PolarHBondContact N-O 3.32Å; N19-L24 VanDerWaalsContact N-O 3.12Å; N19-L24 PolarHBondContact OD1-N 2.98Å; N19-L24 PolarHBondContact OD1-O 3.43Å; N19-L24 VanDerWaalsContact OD1-O 3.09Å; G22-L24 VanDerWaalsContact C-N 3.32Å; G22-L24 PolarHBondContact O-N 3.11Å; L24-F26 HydrophobicContact CB-CE2 4.31Å; L24-F26 HydrophobicContact CB-CZ 4.42Å; L24-F26 HydrophobicContact CD1-CZ 4.36Å; L24-V36 HydrophobicContact CB-CG1 4.42Å; L24-V36 HydrophobicContact CD1-CG1 4.42Å; L24-V36 HydrophobicContact CD2-CG1 4.28Å; L24-W37 CarbonylContact C-O 3.58Å; L24-W37 WeakPolarHBondContact CA-O 3.42Å; L24-Y38 HydrophobicContact CD2-CD1 3.7Å; L24-Y38 HydrophobicContact CD2-CE1 3.74Å; L24-Y38 HydrophobicContact CD2-CG 4.44Å; L24-L45 HydrophobicContact CD1-CD2 4.27Å; L24-L45 HydrophobicContact CD2-CD2 3.77Å; L24-T64 HydrophobicContact CD1-CG2 3.83Å
25L95.4Very high93.2Very high0 Ų028.4 Ų28.40%014%0.137CC..EExtended strand (participates in β ladder)trans-121.6118.1174.2-175.368.5000109.5L6 I16 Y18 V36 W37 S301 V309 I311L6-L25 HydrophobicContact CD1-CD2 3.99Å; I16-L25 HydrophobicContact CG2-CD1 3.26Å; I16-L25 HydrophobicContact CG2-CD2 4.43Å; I16-L25 HydrophobicContact CG2-CG 4Å; Y18-L25 HydrophobicContact CD1-CD1 3.83Å; Y18-L25 HydrophobicContact CD2-CD1 3.71Å; Y18-L25 HydrophobicContact CE1-CB 4.45Å; Y18-L25 HydrophobicContact CE1-CD1 3.73Å; Y18-L25 HydrophobicContact CE2-CD1 3.58Å; Y18-L25 HydrophobicContact CG-CD1 3.85Å; L25-V36 WeakPolarHBondContact O-CA 3.18Å; L25-W37 HydrophobicContact CB-CB 4.3Å; L25-W37 PolarHBondContact N-O 3.35Å; L25-W37 PolarHBondContact O-N 2.83Å; L25-S301 WeakPolarHBondContact CD2-OG 3.27Å; L25-V309 HydrophobicContact CD2-CG1 3.99Å; L25-I311 HydrophobicContact CD2-CD1 3.79Å; L25-I311 HydrophobicContact CD2-CG1 3.87Å
26F95.7Very high93.3Very high3 Ų326.9 Ų26.91%0.01313%0.13CC..EExtended strand (participates in β ladder)trans-92.3129.3172.3-60.2-81.4000109.5I16 K17 N19 L24 V36 Y48 V58 C60 V67I16-F26 WeakPolarHBondContact CA-O 3.23Å; K17-F26 PolarHBondContact N-O 3.43Å; K17-F26 PolarHBondContact O-N 3.34Å; N19-F26 HydrophobicContact CB-CE2 4.15Å; L24-F26 HydrophobicContact CB-CE2 4.31Å; L24-F26 HydrophobicContact CB-CZ 4.42Å; L24-F26 HydrophobicContact CD1-CZ 4.36Å; F26-V36 HydrophobicContact CD1-CB 4.36Å; F26-V36 HydrophobicContact CD1-CG1 4.04Å; F26-V36 HydrophobicContact CD1-CG2 3.63Å; F26-V36 HydrophobicContact CE1-CB 4.32Å; F26-V36 HydrophobicContact CE1-CG1 3.73Å; F26-V36 HydrophobicContact CE1-CG2 3.63Å; F26-V36 HydrophobicContact CZ-CG1 4.31Å; F26-Y48 HydrophobicContact CD1-CE2 4.24Å; F26-Y48 HydrophobicContact CE1-CE2 4.12Å; F26-V58 HydrophobicContact CB-CG1 4.06Å; F26-V58 HydrophobicContact CB-CG2 4.03Å; F26-V58 HydrophobicContact CG-CG2 4.49Å; F26-C60 HydrophobicContact CD2-CB 4.01Å; F26-C60 HydrophobicContact CE2-CB 3.57Å; F26-C60 HydrophobicContact CZ-CB 4.19Å; F26-V67 HydrophobicContact CD1-CG1 4.22Å; F26-V67 HydrophobicContact CD1-CG2 4.26Å; F26-V67 HydrophobicContact CE1-CG1 4.28Å; F26-V67 HydrophobicContact CE1-CG2 3.51Å; F26-V67 HydrophobicContact CZ-CG2 3.7Å
27S95.3Very high93.3Very high0 Ų027.5 Ų27.50%013%0.132CC..EExtended strand (participates in β ladder)trans-126.9132.517467.80000110.9H9 N35 W37H9-S27 PolarHBondContact NE2-O 3.24Å; H9-S27 PolarHBondContact NE2-OG 3.06Å; S27-N35 PolarHBondContact N-O 3.41Å; S27-N35 PolarHBondContact O-N 2.97Å; S27-W37 PolarHBondContact OG-NE1 2.62Å
28V95.3Very high93.2Very high0 Ų029.6 Ų29.60%014%0.14CC..EExtended strand (participates in β ladder)trans-123.7150.7173.4-71.10000110.7I13 T14 Q15 A34 V55 V58I13-V28 VanDerWaalsContact CG2-O 3.27Å; I13-V28 WeakPolarHBondContact CG2-O 3.02Å; T14-V28 PolarHBondContact N-O 3.2Å; T14-V28 VanDerWaalsContact OG1-C 3.23Å; T14-V28 WeakPolarHBondContact OG1-CG2 3.2Å; T14-V28 PolarHBondContact OG1-O 3.14Å; T14-V28 VanDerWaalsContact OG1-O 3.07Å; Q15-V28 HydrophobicContact CB-CG2 3.72Å; Q15-V28 PolarHBondContact N-O 3.31Å; Q15-V28 VanDerWaalsContact O-CG2 3.31Å; Q15-V28 WeakPolarHBondContact O-CG2 3.21Å; Q15-V28 PolarHBondContact O-N 2.95Å; V28-A34 HydrophobicContact CG1-CB 3.55Å; V28-V55 HydrophobicContact CB-CB 4.1Å; V28-V55 HydrophobicContact CB-CG1 3.85Å; V28-V55 HydrophobicContact CG1-CB 4.17Å; V28-V55 HydrophobicContact CG1-CG1 3.57Å; V28-V55 HydrophobicContact CG2-CG1 4.44Å; V28-V58 HydrophobicContact CB-CB 4.5Å; V28-V58 HydrophobicContact CB-CG1 4.39Å; V28-V58 HydrophobicContact CG1-CB 3.67Å; V28-V58 HydrophobicContact CG1-CG1 3.9Å; V28-V58 HydrophobicContact CG1-CG2 4.32Å; V28-V58 HydrophobicContact CG2-CB 4Å; V28-V58 HydrophobicContact CG2-CG1 3.66Å
29A94.6Very high93Very high0 Ų028.7 Ų28.70%014%0.136CC..EExtended strand (participates in β ladder)trans-138.9177.5-176.300000110.2H9 S12 I13 T14 D31 V55H9-A29 HydrophobicContact CB-CB 3.96Å; H9-A29 WeakPolarHBondContact ND1-CB 3.43Å; S12-A29 VanDerWaalsContact O-CA 3.32Å; S12-A29 WeakPolarHBondContact O-CA 3.25Å; S12-A29 WeakPolarHBondContact O-CB 3.47Å; I13-A29 HydrophobicContact CD1-CB 4.03Å; T14-A29 PolarHBondContact OG1-N 2.79Å; A29-D31 HydrophobicContact CB-CB 4.22Å; A29-D31 PolarHBondContact O-N 3.34Å; A29-D31 VanDerWaalsContact O-O 3.11Å; A29-V55 CarbonylContact C-O 3.58Å; A29-V55 PolarHBondContact O-N 3.31Å
30K93.5Very high92.7Very high70 Ų7033.8 Ų33.830%0.30417%0.167SC..SBendtrans-67.88.3167.3-60.2177.9-175.9168.70113.7R11 S12 T14 A54 W56R11-K30 HydrophobicContact CB-CB 4.01Å; R11-K30 VanDerWaalsContact CD-O 3.22Å; R11-K30 WeakPolarHBondContact CD-O 2.92Å; R11-K30 PolarHBondContact NH1-O 3.49Å; S12-K30 PolarHBondContact O-N 3.32Å; T14-K30 HydrophobicContact CG2-CG 3.76Å; K30-A54 HydrophobicContact CB-CB 4.22Å; K30-W56 HydrophobicContact CG-CH2 4.44Å; K30-W56 HydrophobicContact CG-CZ3 4.41Å
31D91.1Very high92.7Very high22 Ų2233.5 Ų33.512%0.11817%0.171CC..SBendtrans-76.5170.1166.3-63.5-28000110.2H9 E10 R11 A29 V33 V55H9-D31 WeakPolarHBondContact CA-OD2 3.27Å; H9-D31 VanDerWaalsContact CB-OD2 3.27Å; H9-D31 WeakPolarHBondContact CB-OD2 3.32Å; H9-D31 IonicContact CG-OD2 4Å; H9-D31 IonicContact ND1-OD2 2.9Å; H9-D31 PolarHBondContact ND1-OD2 2.68Å; E10-D31 PolarHBondContact N-OD2 3.22Å; R11-D31 WeakPolarHBondContact CB-OD1 3.43Å; R11-D31 VanDerWaalsContact CD-OD1 3.27Å; R11-D31 WeakPolarHBondContact CD-OD1 3.24Å; R11-D31 WeakPolarHBondContact CG-OD1 3.42Å; R11-D31 PolarHBondContact N-OD1 3.09Å; R11-D31 PolarHBondContact N-OD2 2.81Å; A29-D31 HydrophobicContact CB-CB 4.22Å; A29-D31 PolarHBondContact O-N 3.34Å; A29-D31 VanDerWaalsContact O-O 3.11Å; D31-V33 VanDerWaalsContact C-N 3.26Å; D31-V55 PolarHBondContact O-N 3.21Å
32T91.2Very high92.7Very high63 Ų6327.2 Ų27.239%0.38715%0.146SC..SBendtrans-87.42.117659.80000113.2H51 G53T32-H51 WeakPolarHBondContact CB-O 3.37Å; T32-H51 WeakPolarHBondContact O-CB 3.37Å; T32-G53 WeakPolarHBondContact CA-O 3.44Å
33V91.9Very high92.7Very high31 Ų3133.1 Ų33.119%0.18817%0.173CC..EExtended strand (participates in β ladder)trans-123.5133.3-170.4-175.10000109.2H9 D31 T47 N49H9-V33 PolarHBondContact CE1-O 3.39Å; D31-V33 VanDerWaalsContact C-N 3.26Å; V33-T47 HydrophobicContact CG1-CG2 4.39Å; V33-N49 WeakPolarHBondContact CG1-OD1 3.2Å; V33-N49 WeakPolarHBondContact CG2-OD1 3.07Å
34A94.1Very high92.8Very high3 Ų336.5 Ų36.53%0.02518%0.181CC..EExtended strand (participates in β ladder)trans-94.7135.2166.200000108.9V28 T47 Y48 T69V28-A34 HydrophobicContact CG1-CB 3.55Å; A34-T47 CarbonylContact O-C 3.53Å; A34-T47 WeakPolarHBondContact O-CA 3.38Å; A34-Y48 HydrophobicContact CB-CD2 4.05Å; A34-Y48 PolarHBondContact N-O 3.27Å; A34-Y48 PolarHBondContact O-N 3.47Å; A34-T69 HydrophobicContact CB-CG2 4.35Å
35N94.6Very high92.7Very high3 Ų339.8 Ų39.82%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-108.6148.4179.3-69.6-36.4000110.5G8 H9 S27 W37 T47G8-N35 PolarHBondContact O-ND2 2.92Å; H9-N35 PolarHBondContact CD2-ND2 2.83Å; H9-N35 PolarHBondContact CE1-ND2 2.81Å; H9-N35 PolarHBondContact ND1-ND2 3.13Å; H9-N35 PolarHBondContact NE2-ND2 2.87Å; S27-N35 PolarHBondContact N-O 3.41Å; S27-N35 PolarHBondContact O-N 2.97Å; N35-W37 HydrophobicContact CB-CZ2 3.91Å; N35-T47 WeakPolarHBondContact OD1-CG2 3.5Å
36V95.1Very high92.5Very high1 Ų141 Ų411%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-120.7131.9173.2-167.90000109.2L24 L25 F26 L45 G46 Y48L24-V36 HydrophobicContact CB-CG1 4.42Å; L24-V36 HydrophobicContact CD1-CG1 4.42Å; L24-V36 HydrophobicContact CD2-CG1 4.28Å; L25-V36 WeakPolarHBondContact O-CA 3.18Å; F26-V36 HydrophobicContact CD1-CB 4.36Å; F26-V36 HydrophobicContact CD1-CG1 4.04Å; F26-V36 HydrophobicContact CD1-CG2 3.63Å; F26-V36 HydrophobicContact CE1-CB 4.32Å; F26-V36 HydrophobicContact CE1-CG1 3.73Å; F26-V36 HydrophobicContact CE1-CG2 3.63Å; F26-V36 HydrophobicContact CZ-CG1 4.31Å; V36-L45 HydrophobicContact CB-CB 4.34Å; V36-L45 HydrophobicContact CG1-CB 4.28Å; V36-L45 HydrophobicContact CG1-CD2 4.04Å; V36-L45 PolarHBondContact O-N 2.7Å; V36-G46 PolarHBondContact N-O 3.49Å; V36-G46 PolarHBondContact O-N 3.3Å; V36-Y48 HydrophobicContact CG2-CD2 4.12Å; V36-Y48 HydrophobicContact CG2-CE1 4.28Å; V36-Y48 HydrophobicContact CG2-CE2 3.34Å; V36-Y48 VanDerWaalsContact CG2-CZ 3.46Å; V36-Y48 WeakPolarHBondContact CG2-OH 3.37Å
37W95.1Very high92.3Very high13 Ų1343 Ų435%0.04922%0.223CC..EExtended strand (participates in β ladder)trans-126.2147.5-177.4-47.985.5000109.4L6 L24 L25 S27 N35 E43 R44L6-W37 HydrophobicContact CB-CD2 4.31Å; L6-W37 HydrophobicContact CB-CE3 4.24Å; L6-W37 HydrophobicContact CB-CH2 4.34Å; L6-W37 HydrophobicContact CB-CZ2 4.39Å; L6-W37 HydrophobicContact CB-CZ3 4.24Å; L6-W37 HydrophobicContact CD1-CB 3.96Å; L6-W37 HydrophobicContact CD1-CD2 3.77Å; L6-W37 HydrophobicContact CD1-CE3 4.14Å; L6-W37 HydrophobicContact CD1-CG 3.66Å; L6-W37 HydrophobicContact CD2-CD2 4.45Å; L6-W37 HydrophobicContact CD2-CE3 3.97Å; L6-W37 HydrophobicContact CD2-CZ3 4.38Å; L6-W37 HydrophobicContact CG-CD2 4.41Å; L6-W37 HydrophobicContact CG-CE3 4.35Å; L24-W37 CarbonylContact C-O 3.58Å; L24-W37 WeakPolarHBondContact CA-O 3.42Å; L25-W37 HydrophobicContact CB-CB 4.3Å; L25-W37 PolarHBondContact N-O 3.35Å; L25-W37 PolarHBondContact O-N 2.83Å; S27-W37 PolarHBondContact OG-NE1 2.62Å; N35-W37 HydrophobicContact CB-CZ2 3.91Å; W37-E43 CarbonylContact C-O 3.59Å; W37-E43 WeakPolarHBondContact CA-O 3.29Å; W37-R44 HydrophobicContact CD2-CB 4.35Å; W37-R44 HydrophobicContact CD2-CG 4.25Å; W37-R44 HydrophobicContact CE3-CB 3.6Å; W37-R44 HydrophobicContact CE3-CG 3.96Å; W37-R44 HydrophobicContact CH2-CB 4.16Å; W37-R44 HydrophobicContact CH2-CG 4.1Å; W37-R44 HydrophobicContact CZ2-CG 4.37Å; W37-R44 HydrophobicContact CZ3-CB 3.51Å; W37-R44 HydrophobicContact CZ3-CG 3.9Å
38Y93.8Very high92.2Very high91 Ų9143.3 Ų43.336%0.35722%0.224SC..EExtended strand (participates in β ladder)trans-73.4127.2161.5-76.9-68.1000108.8D23 L24 N41 G42 E43 L45D23-Y38 CarbonylContact O-C 3.52Å; D23-Y38 WeakPolarHBondContact O-CA 3.08Å; L24-Y38 HydrophobicContact CD2-CD1 3.7Å; L24-Y38 HydrophobicContact CD2-CE1 3.74Å; L24-Y38 HydrophobicContact CD2-CG 4.44Å; Y38-N41 WeakPolarHBondContact CB-OD1 3.35Å; Y38-G42 WeakPolarHBondContact O-CA 3.31Å; Y38-G42 PolarHBondContact O-N 3.41Å; Y38-E43 HydrophobicContact CD2-CB 4.4Å; Y38-E43 PolarHBondContact N-O 2.99Å; Y38-L45 HydrophobicContact CD2-CB 4.3Å; Y38-L45 HydrophobicContact CE2-CB 4.05Å; Y38-L45 HydrophobicContact CE2-CD1 3.75Å; Y38-L45 HydrophobicContact CE2-CG 4.4Å
39S90.1Very high92Very high0 Ų048.2 Ų48.20%025%0.251CS..THydrogen-bonded Turntrans-62.5-48.1179.864.30000110.3G22 D23 N41 Y313G22-S39 VanDerWaalsContact O-CB 3.26Å; G22-S39 WeakPolarHBondContact O-CB 3.17Å; G22-S39 PolarHBondContact O-OG 3.04Å; D23-S39 PolarHBondContact O-N 2.79Å; D23-S39 PolarHBondContact O-OG 3.36Å; S39-N41 PolarHBondContact O-N 2.85Å; S39-Y313 PolarHBondContact O-OH 3.33Å
40V87.8Confident91.7Very high107 Ų10749.8 Ų49.865%0.64827%0.266SS*.THydrogen-bonded Turntrans-59.3-47.4-170-176.60000113.2Y313V40-Y313 WeakPolarHBondContact CA-OH 3.24Å; V40-Y313 PolarHBondContact N-OH 2.88Å; V40-Y313 PolarHBondContact O-OH 3.43Å
41N87.1Confident91.6Very high75 Ų7546.9 Ų46.940%0.40125%0.254SS..THydrogen-bonded Turntrans-109.7-13.6-174.665.46000113.2Y38 S39 E43Y38-N41 WeakPolarHBondContact CB-OD1 3.35Å; S39-N41 PolarHBondContact O-N 2.85Å; N41-E43 HydrophobicContact CB-CG 4.38Å; N41-E43 VanDerWaalsContact ND2-CD 3.31Å; N41-E43 WeakPolarHBondContact ND2-CG 3.36Å; N41-E43 PolarHBondContact ND2-OE2 2.93Å; N41-E43 PolarHBondContact O-N 2.86Å; N41-E43 WeakPolarHBondContact OD1-CB 3.42Å; N41-E43 PolarHBondContact OD1-N 3.26Å
42G87.9Confident91.6Very high13 Ų1351.3 Ų51.313%0.13428%0.282CS..  trans72.213.2-174.800000114.5L6 Y38L6-G42 WeakPolarHBondContact CD2-O 3.37Å; Y38-G42 WeakPolarHBondContact O-CA 3.31Å; Y38-G42 PolarHBondContact O-N 3.41Å
43E91.1Very high91.6Very high123 Ų12349.2 Ų49.258%0.57527%0.272SS*.  trans-73.8142.3175.1-69-176.1155.200110.5W37 Y38 N41 L45W37-E43 CarbonylContact C-O 3.59Å; W37-E43 WeakPolarHBondContact CA-O 3.29Å; Y38-E43 HydrophobicContact CD2-CB 4.4Å; Y38-E43 PolarHBondContact N-O 2.99Å; N41-E43 HydrophobicContact CB-CG 4.38Å; N41-E43 VanDerWaalsContact ND2-CD 3.31Å; N41-E43 WeakPolarHBondContact ND2-CG 3.36Å; N41-E43 PolarHBondContact ND2-OE2 2.93Å; N41-E43 PolarHBondContact O-N 2.86Å; N41-E43 WeakPolarHBondContact OD1-CB 3.42Å; N41-E43 PolarHBondContact OD1-N 3.26Å; E43-L45 PolarHBondContact O-N 3.39Å
44R93.1Very high91.7Very high139 Ų13948.6 Ų48.653%0.52527%0.271SS..EExtended strand (participates in β ladder)trans-78.5116176.4-165.2171.263.1179.9-2.4109.4W37W37-R44 HydrophobicContact CD2-CB 4.35Å; W37-R44 HydrophobicContact CD2-CG 4.25Å; W37-R44 HydrophobicContact CE3-CB 3.6Å; W37-R44 HydrophobicContact CE3-CG 3.96Å; W37-R44 HydrophobicContact CH2-CB 4.16Å; W37-R44 HydrophobicContact CH2-CG 4.1Å; W37-R44 HydrophobicContact CZ2-CG 4.37Å; W37-R44 HydrophobicContact CZ3-CB 3.51Å; W37-R44 HydrophobicContact CZ3-CG 3.9Å
45L92.4Very high91.7Very high78 Ų7848.5 Ų48.541%0.40827%0.27SS..EExtended strand (participates in β ladder)trans-69.8-46.9173.7175.861.1000110.5L24 V36 Y38 E43L24-L45 HydrophobicContact CD1-CD2 4.27Å; L24-L45 HydrophobicContact CD2-CD2 3.77Å; V36-L45 HydrophobicContact CB-CB 4.34Å; V36-L45 HydrophobicContact CG1-CB 4.28Å; V36-L45 HydrophobicContact CG1-CD2 4.04Å; V36-L45 PolarHBondContact O-N 2.7Å; Y38-L45 HydrophobicContact CD2-CB 4.3Å; Y38-L45 HydrophobicContact CE2-CB 4.05Å; Y38-L45 HydrophobicContact CE2-CD1 3.75Å; Y38-L45 HydrophobicContact CE2-CG 4.4Å; E43-L45 PolarHBondContact O-N 3.39Å
46G91.2Very high91.7Very high26 Ų2652 Ų5227%0.26828%0.283SS..EExtended strand (participates in β ladder)trans-177-178.7-175.200000113.7V36V36-G46 PolarHBondContact N-O 3.49Å; V36-G46 PolarHBondContact O-N 3.3Å
47T92.8Very high91.6Very high45 Ų4552 Ų5228%0.27628%0.283SS..EExtended strand (participates in β ladder)trans-137.3129.3-178.9660000109.8V33 A34 N35 N49V33-T47 HydrophobicContact CG1-CG2 4.39Å; A34-T47 CarbonylContact O-C 3.53Å; A34-T47 WeakPolarHBondContact O-CA 3.38Å; N35-T47 WeakPolarHBondContact OD1-CG2 3.5Å; T47-N49 PolarHBondContact O-N 3.01Å; T47-N49 PolarHBondContact OG1-ND2 2.89Å
48Y93.1Very high91.6Very high7 Ų751.3 Ų51.33%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-88.1105.5174.7-54.1-45.9000110F26 A34 V36 V67 W79 C81 G84F26-Y48 HydrophobicContact CD1-CE2 4.24Å; F26-Y48 HydrophobicContact CE1-CE2 4.12Å; A34-Y48 HydrophobicContact CB-CD2 4.05Å; A34-Y48 PolarHBondContact N-O 3.27Å; A34-Y48 PolarHBondContact O-N 3.47Å; V36-Y48 HydrophobicContact CG2-CD2 4.12Å; V36-Y48 HydrophobicContact CG2-CE1 4.28Å; V36-Y48 HydrophobicContact CG2-CE2 3.34Å; V36-Y48 VanDerWaalsContact CG2-CZ 3.46Å; V36-Y48 WeakPolarHBondContact CG2-OH 3.37Å; Y48-V67 HydrophobicContact CE2-CB 4.29Å; Y48-V67 HydrophobicContact CE2-CG1 4.11Å; Y48-V67 HydrophobicContact CE2-CG2 4.24Å; Y48-W79 HydrophobicContact CD1-CE3 4.37Å; Y48-W79 HydrophobicContact CG-CD2 4.27Å; Y48-W79 HydrophobicContact CG-CE3 4.36Å; Y48-W79 HydrophobicContact CG-CG 4.4Å; Y48-C81 WeakPolarHBondContact OH-CA 3.29Å; Y48-G84 VanDerWaalsContact CE1-CA 3.49Å
49N90.9Very high91.7Very high103 Ų10348.1 Ų48.155%0.55127%0.27SS*.EExtended strand (participates in β ladder)trans-99.7126.4178.9-70.2-38.8000110.1V33 T47 W79V33-N49 WeakPolarHBondContact CG1-OD1 3.2Å; V33-N49 WeakPolarHBondContact CG2-OD1 3.07Å; T47-N49 PolarHBondContact O-N 3.01Å; T47-N49 PolarHBondContact OG1-ND2 2.89Å; N49-W79 WeakPolarHBondContact O-CH2 3.42Å
50G87.3Confident91.8Very high32 Ų3248.6 Ų48.633%0.3327%0.273SS..  trans167.6-27.2168.200000114R77G50-R77 PolarHBondContact O-NH1 3.28Å; G50-R77 PolarHBondContact O-NH2 2.95Å
51H92.1Very high91.9Very high10 Ų1044 Ų445%0.04624%0.244CC..  trans-60.5147172.7-78.1-66.4000111T32 V55 T69 S71 D73 S75 R77T32-H51 WeakPolarHBondContact CB-O 3.37Å; T32-H51 WeakPolarHBondContact O-CB 3.37Å; H51-V55 HydrophobicContact CB-CG2 4.07Å; H51-T69 PolarHBondContact NE2-OG1 2.91Å; H51-S71 VanDerWaalsContact CE1-CB 3.41Å; H51-S71 WeakPolarHBondContact CE1-CB 3.3Å; H51-S71 VanDerWaalsContact ND1-CB 3.31Å; H51-S71 WeakPolarHBondContact ND1-CB 3.37Å; H51-S71 PolarHBondContact ND1-OG 3.24Å; H51-D73 WeakPolarHBondContact CA-OD2 3.08Å; H51-D73 IonicContact CE1-OD1 3.48Å; H51-D73 IonicContact CG-OD2 2.79Å; H51-D73 IonicContact ND1-OD1 3.8Å; H51-D73 PolarHBondContact ND1-OD1 3.42Å; H51-D73 IonicContact ND1-OD2 2.9Å; H51-D73 PolarHBondContact ND1-OD2 3.34Å; H51-S75 PolarHBondContact ND1-OG 3.46Å; H51-R77 VanDerWaalsContact CE1-CD 3.4Å; H51-R77 WeakPolarHBondContact CE1-CD 3.14Å; H51-R77 PolarHBondContact ND1-NE 2.65Å
52T91.8Very high91.9Very high115 Ų11543.7 Ų43.771%0.70624%0.238SC*.SBendtrans-104.4-9.2177.955.70000112.2D73T52-D73 PolarHBondContact N-OD2 2.71Å; T52-D73 VanDerWaalsContact N-OD2 3.17Å; T52-D73 WeakPolarHBondContact OG1-CB 3.42Å
53G91.1Very high91.9Very high18 Ų1848 Ų4819%0.18626%0.257CS..SBendtrans-130.3-175.9-179.300000112.8T32T32-G53 WeakPolarHBondContact CA-O 3.44Å
54A93.4Very high91.8Very high19 Ų1943.2 Ų43.216%0.15724%0.237CC..  trans-64.6130.9178.700000111.5K30 S71 A72K30-A54 HydrophobicContact CB-CB 4.22Å; A54-S71 WeakPolarHBondContact O-CA 3.2Å; A54-S71 PolarHBondContact O-OG 2.75Å; A54-A72 HydrophobicContact CB-CB 4.23Å; A54-A72 WeakPolarHBondContact O-CB 3.43Å; A54-A72 PolarHBondContact O-N 2.9Å
55V95.2Very high91.6Very high0 Ų041.4 Ų41.40%023%0.233CC..EExtended strand (participates in β ladder)trans-87.8117.8174.9-171.20000109.1T14 V28 A29 D31 H51 T69T14-V55 PolarHBondContact OG1-O 3.34Å; V28-V55 HydrophobicContact CB-CB 4.1Å; V28-V55 HydrophobicContact CB-CG1 3.85Å; V28-V55 HydrophobicContact CG1-CB 4.17Å; V28-V55 HydrophobicContact CG1-CG1 3.57Å; V28-V55 HydrophobicContact CG2-CG1 4.44Å; A29-V55 CarbonylContact C-O 3.58Å; A29-V55 PolarHBondContact O-N 3.31Å; D31-V55 PolarHBondContact O-N 3.21Å; H51-V55 HydrophobicContact CB-CG2 4.07Å; V55-T69 HydrophobicContact CG1-CG2 4.46Å
56W93.8Very high91.6Very high76 Ų7639.3 Ų39.329%0.28822%0.222SC..EExtended strand (participates in β ladder)trans-90.3-36.6-176.1-70.9113.4000112.6T14 K30 G70T14-W56 WeakPolarHBondContact CB-O 3.49Å; T14-W56 HydrophobicContact CG2-CE3 3.58Å; T14-W56 HydrophobicContact CG2-CZ3 3.81Å; T14-W56 PolarHBondContact OG1-O 3.46Å; K30-W56 HydrophobicContact CG-CH2 4.44Å; K30-W56 HydrophobicContact CG-CZ3 4.41Å; W56-G70 PolarHBondContact N-O 3.39Å
57C93.1Very high91.7Very high1 Ų138.1 Ų38.11%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-139.6151.3-174.7520000112.5T69 G70 T98C57-T69 WeakPolarHBondContact O-CA 3.3Å; C57-G70 PolarHBondContact N-O 3.07Å; C57-G70 PolarHBondContact O-N 2.56Å; C57-G70 VanDerWaalsContact SG-CA 3.53Å; C57-T98 VanDerWaalsContact SG-C 3.56Å
58V95.3Very high91.8Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-140.9140.9173.764.50000108.3Q15 K17 F26 V28 V67 L68 T69Q15-V58 VanDerWaalsContact OE1-N 3.17Å; K17-V58 HydrophobicContact CB-CG1 4.44Å; K17-V58 VanDerWaalsContact CG-O 3.3Å; K17-V58 WeakPolarHBondContact CG-O 3.27Å; F26-V58 HydrophobicContact CB-CG1 4.06Å; F26-V58 HydrophobicContact CB-CG2 4.03Å; F26-V58 HydrophobicContact CG-CG2 4.49Å; V28-V58 HydrophobicContact CB-CB 4.5Å; V28-V58 HydrophobicContact CB-CG1 4.39Å; V28-V58 HydrophobicContact CG1-CB 3.67Å; V28-V58 HydrophobicContact CG1-CG1 3.9Å; V28-V58 HydrophobicContact CG1-CG2 4.32Å; V28-V58 HydrophobicContact CG2-CB 4Å; V28-V58 HydrophobicContact CG2-CG1 3.66Å; V58-V67 HydrophobicContact CG2-CG1 3.67Å; V58-L68 CarbonylContact C-O 3.57Å; V58-L68 WeakPolarHBondContact CA-O 3.3Å; V58-T69 HydrophobicContact CB-CG2 4.44Å; V58-T69 HydrophobicContact CG2-CG2 4Å
59D94.5Very high91.9Very high24 Ų2435.6 Ų35.613%0.12820%0.195CC..EExtended strand (participates in β ladder)trans-142.2156167.8-157.533.3000109.9L68 G100 F101D59-L68 PolarHBondContact N-O 2.86Å; D59-L68 PolarHBondContact O-N 2.82Å; D59-G100 WeakPolarHBondContact OD2-CA 3.41Å; D59-F101 HydrophobicContact CB-CD2 4.11Å; D59-F101 PolarHBondContact OD2-N 2.96Å
60C92.8Very high92Very high10 Ų1030.7 Ų30.77%0.06817%0.169CC..EExtended strand (participates in β ladder)trans-120.4147.1179.4610000110.4N19 F26 F101N19-C60 VanDerWaalsContact CA-SG 3.56Å; F26-C60 HydrophobicContact CD2-CB 4.01Å; F26-C60 HydrophobicContact CE2-CB 3.57Å; F26-C60 HydrophobicContact CZ-CB 4.19Å; C60-F101 VanDerWaalsContact C-CD2 3.48Å
61D90.9Very high92.3Very high10 Ų1029.2 Ų29.25%0.05315%0.153CC..  trans-66.6158.8173.7-167.16.5000111.4D63 T64 N66 F101 G105D61-D63 VanDerWaalsContact C-N 3.3Å; D61-D63 PolarHBondContact O-N 3.21Å; D61-T64 PolarHBondContact O-N 2.89Å; D61-N66 HydrophobicContact CB-CB 4.03Å; D61-N66 WeakPolarHBondContact CB-O 3.5Å; D61-N66 PolarHBondContact N-O 3.02Å; D61-N66 PolarHBondContact OD2-ND2 3.4Å; D61-F101 HydrophobicContact CB-CD1 4.01Å; D61-F101 HydrophobicContact CB-CE1 3.92Å; D61-F101 HydrophobicContact CB-CE2 4.49Å; D61-F101 HydrophobicContact CB-CG 4.35Å; D61-F101 HydrophobicContact CB-CZ 4.18Å; D61-G105 WeakPolarHBondContact OD1-CA 3.26Å
62W86.4Confident92.3Very high69 Ų6930.6 Ų30.626%0.26117%0.167SC..THydrogen-bonded Turntrans-61.5-39.5179-81.476.3000112.5R20 T64 F103R20-W62 HydrophobicContact CG-CD2 4.04Å; R20-W62 HydrophobicContact CG-CE3 3.89Å; R20-W62 HydrophobicContact CG-CG 4.46Å; R20-W62 HydrophobicContact CG-CZ3 4.38Å; R20-W62 VanDerWaalsContact NE-CH2 3.27Å; R20-W62 VanDerWaalsContact NE-CZ3 3.26Å; W62-T64 PolarHBondContact O-N 2.78Å; W62-F103 AromaticContact CE2-CD2 3.82Å; W62-F103 AromaticContact CH2-CD2 3.4Å; W62-F103 HydrophobicContact CH2-CD2 3.4Å; W62-F103 VanDerWaalsContact CH2-CD2 3.4Å; W62-F103 AromaticContact CH2-CE2 3.06Å; W62-F103 HydrophobicContact CH2-CE2 3.06Å; W62-F103 HydrophobicContact CH2-CG 4.45Å; W62-F103 AromaticContact CH2-CZ 3.9Å; W62-F103 HydrophobicContact CH2-CZ 3.9Å; W62-F103 AromaticContact CZ2-CD2 3.16Å; W62-F103 HydrophobicContact CZ2-CD2 3.16Å; W62-F103 AromaticContact CZ2-CE2 3.43Å; W62-F103 HydrophobicContact CZ2-CE2 3.43Å; W62-F103 VanDerWaalsContact CZ2-CE2 3.43Å; W62-F103 HydrophobicContact CZ2-CG 4.03Å; W62-F103 HydrophobicContact CZ2-CZ 4.42Å; W62-F103 HydrophobicContact CZ3-CD2 4.29Å; W62-F103 AromaticContact CZ3-CE2 3.74Å; W62-F103 HydrophobicContact CZ3-CE2 3.74Å; W62-F103 HydrophobicContact CZ3-CZ 4.12Å
63D86.8Confident92.3Very high102 Ų10226.8 Ų26.855%0.54514%0.142SC..THydrogen-bonded Turntrans-73.4-4.3175.7-85.16.9000113.3D61 K65D61-D63 VanDerWaalsContact C-N 3.3Å; D61-D63 PolarHBondContact O-N 3.21Å; D63-K65 HydrophobicContact CB-CB 4.47Å; D63-K65 HydrophobicContact CB-CD 4.03Å; D63-K65 HydrophobicContact CB-CG 4.11Å; D63-K65 PolarHBondContact O-N 3.27Å; D63-K65 IonicContact OD2-NZ 3.5Å; D63-K65 PolarHBondContact OD2-NZ 2.79Å
64T89.1Confident92.2Very high23 Ų2328.4 Ų28.414%0.14115%0.146CC..SBendtrans57.217.6-173.2-470000113.5N19 L24 D61 W62 C81N19-T64 HydrophobicContact CB-CG2 3.89Å; N19-T64 PolarHBondContact ND2-OG1 3.01Å; L24-T64 HydrophobicContact CD1-CG2 3.83Å; D61-T64 PolarHBondContact O-N 2.89Å; W62-T64 PolarHBondContact O-N 2.78Å; T64-C81 WeakPolarHBondContact O-CB 3.45Å
65K89.9Confident92.1Very high101 Ų10127.7 Ų27.744%0.43914%0.14SC..SBendtrans-84.8-40.2178-70.9170.7-169.8147.20112.6D63 C81D63-K65 HydrophobicContact CB-CB 4.47Å; D63-K65 HydrophobicContact CB-CD 4.03Å; D63-K65 HydrophobicContact CB-CG 4.11Å; D63-K65 PolarHBondContact O-N 3.27Å; D63-K65 IonicContact OD2-NZ 3.5Å; D63-K65 PolarHBondContact OD2-NZ 2.79Å; K65-C81 WeakPolarHBondContact O-CB 3.46Å; K65-C81 PolarHBondContact O-N 3.41Å
66N91.8Very high92Very high35 Ų3527.7 Ų27.719%0.18714%0.14CC..EExtended strand (participates in β ladder)trans-113.2142.2-174.9-54.9-58.4000110.8D61 L78 W79 L87 F101D61-N66 HydrophobicContact CB-CB 4.03Å; D61-N66 WeakPolarHBondContact CB-O 3.5Å; D61-N66 PolarHBondContact N-O 3.02Å; D61-N66 PolarHBondContact OD2-ND2 3.4Å; N66-L78 HydrophobicContact CB-CD1 4.1Å; N66-W79 CarbonylContact C-O 3.56Å; N66-W79 WeakPolarHBondContact CA-O 3.43Å; N66-L87 WeakPolarHBondContact OD1-CD1 3.39Å; N66-F101 HydrophobicContact CB-CE1 4.26Å; N66-F101 HydrophobicContact CB-CZ 4.04Å
67V94.1Very high91.9Very high0 Ų025.4 Ų25.40%013%0.131CC..EExtended strand (participates in β ladder)trans-124.5133.8174.4-178.20000108.5F26 Y48 V58 T69 L78 W79 C81F26-V67 HydrophobicContact CD1-CG1 4.22Å; F26-V67 HydrophobicContact CD1-CG2 4.26Å; F26-V67 HydrophobicContact CE1-CG1 4.28Å; F26-V67 HydrophobicContact CE1-CG2 3.51Å; F26-V67 HydrophobicContact CZ-CG2 3.7Å; Y48-V67 HydrophobicContact CE2-CB 4.29Å; Y48-V67 HydrophobicContact CE2-CG1 4.11Å; Y48-V67 HydrophobicContact CE2-CG2 4.24Å; V58-V67 HydrophobicContact CG2-CG1 3.67Å; V67-T69 HydrophobicContact CG1-CG2 4.44Å; V67-L78 CarbonylContact O-C 3.51Å; V67-L78 WeakPolarHBondContact O-CA 3.44Å; V67-W79 HydrophobicContact CB-CB 4.3Å; V67-W79 PolarHBondContact N-O 3.27Å; V67-W79 PolarHBondContact O-N 2.9Å; V67-C81 HydrophobicContact CG2-CB 3.98Å
68L94.3Very high91.9Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-112.8125.4179.8-173.967.5000109.2V58 D59 C76 R77 L78 C99 F101 I108V58-L68 CarbonylContact C-O 3.57Å; V58-L68 WeakPolarHBondContact CA-O 3.3Å; D59-L68 PolarHBondContact N-O 2.86Å; D59-L68 PolarHBondContact O-N 2.82Å; L68-C76 WeakPolarHBondContact CD1-SG 3.34Å; L68-R77 WeakPolarHBondContact CA-O 3.18Å; L68-L78 HydrophobicContact CB-CD1 4.44Å; L68-L78 HydrophobicContact CD1-CD1 4.08Å; L68-C99 HydrophobicContact CD2-CB 3.78Å; L68-C99 HydrophobicContact CG-CB 4.12Å; L68-F101 HydrophobicContact CB-CD2 4.23Å; L68-F101 HydrophobicContact CB-CE2 3.31Å; L68-F101 HydrophobicContact CB-CZ 3.69Å; L68-F101 HydrophobicContact CD2-CE2 4.46Å; L68-I108 HydrophobicContact CD1-CD1 3.87Å; L68-I108 HydrophobicContact CD2-CB 3.76Å; L68-I108 HydrophobicContact CD2-CD1 3.95Å; L68-I108 HydrophobicContact CD2-CG1 4.4Å; L68-I108 HydrophobicContact CD2-CG2 3.94Å
69T94.9Very high91.8Very high0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-117.6136.1176.556.70000110.7A34 H51 V55 C57 V58 V67 C76 R77 W79A34-T69 HydrophobicContact CB-CG2 4.35Å; H51-T69 PolarHBondContact NE2-OG1 2.91Å; V55-T69 HydrophobicContact CG1-CG2 4.46Å; C57-T69 WeakPolarHBondContact O-CA 3.3Å; V58-T69 HydrophobicContact CB-CG2 4.44Å; V58-T69 HydrophobicContact CG2-CG2 4Å; V67-T69 HydrophobicContact CG1-CG2 4.44Å; T69-C76 WeakPolarHBondContact O-CA 3.26Å; T69-C76 PolarHBondContact O-SG 2.83Å; T69-R77 PolarHBondContact N-O 2.89Å; T69-R77 PolarHBondContact O-N 2.97Å; T69-R77 PolarHBondContact OG1-O 2.86Å; T69-W79 PolarHBondContact OG1-NE1 2.79Å
70G93.9Very high91.7Very high0 Ų026.5 Ų26.50%014%0.137CC..EExtended strand (participates in β ladder)trans-114.2131.1174.200000110.9W56 C57W56-G70 PolarHBondContact N-O 3.39Å; C57-G70 PolarHBondContact N-O 3.07Å; C57-G70 PolarHBondContact O-N 2.56Å; C57-G70 VanDerWaalsContact SG-CA 3.53Å
71S93.8Very high91.6Very high0 Ų026.5 Ų26.50%014%0.137CC..EExtended strand (participates in β ladder)trans-132.1161.6-168.4160.40000113.3H51 A54 D73 S75 V96H51-S71 VanDerWaalsContact CE1-CB 3.41Å; H51-S71 WeakPolarHBondContact CE1-CB 3.3Å; H51-S71 VanDerWaalsContact ND1-CB 3.31Å; H51-S71 WeakPolarHBondContact ND1-CB 3.37Å; H51-S71 PolarHBondContact ND1-OG 3.24Å; A54-S71 WeakPolarHBondContact O-CA 3.2Å; A54-S71 PolarHBondContact O-OG 2.75Å; S71-D73 WeakPolarHBondContact CB-OD1 3.42Å; S71-D73 PolarHBondContact O-N 2.95Å; S71-D73 PolarHBondContact OG-N 2.79Å; S71-D73 VanDerWaalsContact OG-N 3.07Å; S71-D73 PolarHBondContact OG-OD1 3.07Å; S71-D73 PolarHBondContact OG-OD2 3.26Å; S71-S75 PolarHBondContact N-O 2.49Å; S71-V96 PolarHBondContact O-N 3.43Å; S71-V96 VanDerWaalsContact O-N 3.13Å
72A92.2Very high91.5Very high40 Ų4034 Ų3433%0.33117%0.171SC..THydrogen-bonded Turntrans-70.7-13.1172.200000113.4A54 N74A54-A72 HydrophobicContact CB-CB 4.23Å; A54-A72 WeakPolarHBondContact O-CB 3.43Å; A54-A72 PolarHBondContact O-N 2.9Å; A72-N74 PolarHBondContact O-N 2.87Å; A72-N74 VanDerWaalsContact O-N 3.15Å; A72-N74 PolarHBondContact O-OD1 2.78Å
73D90.1Very high91.6Very high34 Ų3434.4 Ų34.418%0.18218%0.182CC..THydrogen-bonded Turntrans-75.714175.567.9-5.1000113.4H51 T52 S71 S75 R77H51-D73 WeakPolarHBondContact CA-OD2 3.08Å; H51-D73 IonicContact CE1-OD1 3.48Å; H51-D73 IonicContact CG-OD2 2.79Å; H51-D73 IonicContact ND1-OD1 3.8Å; H51-D73 PolarHBondContact ND1-OD1 3.42Å; H51-D73 IonicContact ND1-OD2 2.9Å; H51-D73 PolarHBondContact ND1-OD2 3.34Å; T52-D73 PolarHBondContact N-OD2 2.71Å; T52-D73 VanDerWaalsContact N-OD2 3.17Å; T52-D73 WeakPolarHBondContact OG1-CB 3.42Å; S71-D73 WeakPolarHBondContact CB-OD1 3.42Å; S71-D73 PolarHBondContact O-N 2.95Å; S71-D73 PolarHBondContact OG-N 2.79Å; S71-D73 VanDerWaalsContact OG-N 3.07Å; S71-D73 PolarHBondContact OG-OD1 3.07Å; S71-D73 PolarHBondContact OG-OD2 3.26Å; D73-S75 PolarHBondContact O-N 2.65Å; D73-S75 WeakPolarHBondContact OD1-CB 3.42Å; D73-S75 PolarHBondContact OD1-N 3.13Å; D73-S75 PolarHBondContact OD1-OG 3.11Å; D73-S75 PolarHBondContact OD2-OG 3Å; D73-R77 IonicContact OD2-NH2 3.93Å
74N90.8Very high91.6Very high53 Ų5330.8 Ų30.828%0.28317%0.169SC..SBendtrans54.338.2-175.8-52.3-23000111.8A72 T92 S94 A95A72-N74 PolarHBondContact O-N 2.87Å; A72-N74 VanDerWaalsContact O-N 3.15Å; A72-N74 PolarHBondContact O-OD1 2.78Å; N74-T92 VanDerWaalsContact CB-O 3.31Å; N74-T92 WeakPolarHBondContact CB-O 3.48Å; N74-T92 PolarHBondContact O-N 2.83Å; N74-T92 VanDerWaalsContact O-O 3.09Å; N74-T92 PolarHBondContact O-OG1 2.92Å; N74-S94 VanDerWaalsContact OD1-C 3.24Å; N74-A95 WeakPolarHBondContact OD1-CA 3.13Å; N74-A95 PolarHBondContact OD1-N 3.17Å
75S91.2Very high91.7Very high4 Ų436.7 Ų36.73%0.02819%0.192CC..EExtended strand (participates in β ladder)trans-132.8145.2172.275.70000111.5H51 S71 D73 R77 L90H51-S75 PolarHBondContact ND1-OG 3.46Å; S71-S75 PolarHBondContact N-O 2.49Å; D73-S75 PolarHBondContact O-N 2.65Å; D73-S75 WeakPolarHBondContact OD1-CB 3.42Å; D73-S75 PolarHBondContact OD1-N 3.13Å; D73-S75 PolarHBondContact OD1-OG 3.11Å; D73-S75 PolarHBondContact OD2-OG 3Å; S75-R77 PolarHBondContact OG-NE 3.31Å; S75-L90 CarbonylContact C-O 3.54Å; S75-L90 WeakPolarHBondContact CA-O 3.32Å
76C92Very high91.7Very high0 Ų035.1 Ų35.10%019%0.186CC..EExtended strand (participates in β ladder)trans-109131.1163-1600000108L68 T69 L90 V96 F110L68-C76 WeakPolarHBondContact CD1-SG 3.34Å; T69-C76 WeakPolarHBondContact O-CA 3.26Å; T69-C76 PolarHBondContact O-SG 2.83Å; C76-L90 HydrophobicContact CB-CB 4.11Å; C76-L90 HydrophobicContact CB-CD1 4.49Å; C76-L90 PolarHBondContact N-O 2.87Å; C76-L90 WeakPolarHBondContact O-CB 3.31Å; C76-L90 PolarHBondContact O-N 3.28Å; C76-V96 HydrophobicContact CB-CG2 4.17Å; C76-F110 HydrophobicContact CB-CD1 4.45Å
77R92.6Very high91.6Very high27 Ų2738 Ų3810%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-122.3133.5-175.9-67.8-177.3-171.4-15516.3110.4G50 H51 L68 T69 D73 S75 W79 Q86 L89G50-R77 PolarHBondContact O-NH1 3.28Å; G50-R77 PolarHBondContact O-NH2 2.95Å; H51-R77 VanDerWaalsContact CE1-CD 3.4Å; H51-R77 WeakPolarHBondContact CE1-CD 3.14Å; H51-R77 PolarHBondContact ND1-NE 2.65Å; L68-R77 WeakPolarHBondContact CA-O 3.18Å; T69-R77 PolarHBondContact N-O 2.89Å; T69-R77 PolarHBondContact O-N 2.97Å; T69-R77 PolarHBondContact OG1-O 2.86Å; D73-R77 IonicContact OD2-NH2 3.93Å; S75-R77 PolarHBondContact OG-NE 3.31Å; R77-W79 HydrophobicContact CB-CZ2 4Å; R77-W79 HydrophobicContact CG-CZ2 4.44Å; R77-Q86 HydrophobicContact CB-CG 4.5Å; R77-L89 HydrophobicContact CG-CD1 3.67Å
78L92.8Very high91.2Very high14 Ų1438.8 Ų38.87%0.07321%0.208CC..EExtended strand (participates in β ladder)trans-98.2128.6171.3-165.574.2000108.3N66 V67 L68 L87 A88 F101 L127 M133N66-L78 HydrophobicContact CB-CD1 4.1Å; V67-L78 CarbonylContact O-C 3.51Å; V67-L78 WeakPolarHBondContact O-CA 3.44Å; L68-L78 HydrophobicContact CB-CD1 4.44Å; L68-L78 HydrophobicContact CD1-CD1 4.08Å; L78-L87 HydrophobicContact CD2-CB 4.35Å; L78-L87 HydrophobicContact CD2-CD1 4.37Å; L78-L87 PolarHBondContact O-N 3.3Å; L78-A88 HydrophobicContact CB-CB 4.04Å; L78-A88 PolarHBondContact N-O 2.98Å; L78-A88 PolarHBondContact O-N 3.25Å; L78-F101 HydrophobicContact CD1-CE1 4.34Å; L78-F101 HydrophobicContact CD1-CZ 3.82Å; L78-L127 HydrophobicContact CD2-CD2 3.94Å; L78-M133 HydrophobicContact CD2-CE 4.34Å
79W93.7Very high91Very high4 Ų442.2 Ų42.22%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-119.4145.6-178.6-53.785.7000109.7Y48 N49 N66 V67 T69 R77 K85 Q86Y48-W79 HydrophobicContact CD1-CE3 4.37Å; Y48-W79 HydrophobicContact CG-CD2 4.27Å; Y48-W79 HydrophobicContact CG-CE3 4.36Å; Y48-W79 HydrophobicContact CG-CG 4.4Å; N49-W79 WeakPolarHBondContact O-CH2 3.42Å; N66-W79 CarbonylContact C-O 3.56Å; N66-W79 WeakPolarHBondContact CA-O 3.43Å; V67-W79 HydrophobicContact CB-CB 4.3Å; V67-W79 PolarHBondContact N-O 3.27Å; V67-W79 PolarHBondContact O-N 2.9Å; T69-W79 PolarHBondContact OG1-NE1 2.79Å; R77-W79 HydrophobicContact CB-CZ2 4Å; R77-W79 HydrophobicContact CG-CZ2 4.44Å; W79-K85 WeakPolarHBondContact CA-O 3.47Å; W79-Q86 HydrophobicContact CD2-CB 4.44Å; W79-Q86 HydrophobicContact CE3-CB 3.84Å; W79-Q86 HydrophobicContact CE3-CG 4.41Å; W79-Q86 HydrophobicContact CH2-CB 4.22Å; W79-Q86 HydrophobicContact CH2-CG 4.48Å; W79-Q86 HydrophobicContact CZ3-CB 3.71Å; W79-Q86 HydrophobicContact CZ3-CG 4.37Å
80D92.3Very high90.7Very high30 Ų3042.3 Ų42.316%0.1623%0.226CC..EExtended strand (participates in β ladder)trans-79.9124.3164.4176.24.1000108.8E82 T83 G84 K85 L87D80-E82 PolarHBondContact OD1-N 2.81Å; D80-T83 WeakPolarHBondContact CB-OG1 3.38Å; D80-T83 VanDerWaalsContact CG-OG1 3.27Å; D80-T83 WeakPolarHBondContact OD2-CB 3.43Å; D80-T83 VanDerWaalsContact OD2-CG2 3.22Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.46Å; D80-T83 PolarHBondContact OD2-OG1 3.26Å; D80-G84 WeakPolarHBondContact O-CA 3.47Å; D80-G84 PolarHBondContact O-N 2.67Å; D80-K85 PolarHBondContact N-O 2.85Å; D80-L87 HydrophobicContact CB-CD1 3.94Å; D80-L87 HydrophobicContact CB-CD2 4.05Å; D80-L87 HydrophobicContact CB-CG 3.9Å
81C90.6Very high90.3Very high10 Ų1046.7 Ų46.77%0.06825%0.25CS..THydrogen-bonded Turntrans-67.1-38-177.9-168.70000112.2Y48 T64 K65 V67Y48-C81 WeakPolarHBondContact OH-CA 3.29Å; T64-C81 WeakPolarHBondContact O-CB 3.45Å; K65-C81 WeakPolarHBondContact O-CB 3.46Å; K65-C81 PolarHBondContact O-N 3.41Å; V67-C81 HydrophobicContact CG2-CB 3.98Å
82E88.5Confident89.8Confident167 Ų16747.6 Ų47.678%0.7826%0.255SS*.THydrogen-bonded Turntrans-73.9-43.8-174.6-65.8-175.217800111.6D80D80-E82 PolarHBondContact OD1-N 2.81Å
83T88.3Confident89.4Confident79 Ų7951.1 Ų51.149%0.48527%0.269SS..THydrogen-bonded Turntrans-96.6-17-175.668.60000113.7D80 K85D80-T83 WeakPolarHBondContact CB-OG1 3.38Å; D80-T83 VanDerWaalsContact CG-OG1 3.27Å; D80-T83 WeakPolarHBondContact OD2-CB 3.43Å; D80-T83 VanDerWaalsContact OD2-CG2 3.22Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.46Å; D80-T83 PolarHBondContact OD2-OG1 3.26Å; T83-K85 PolarHBondContact O-N 2.88Å; T83-K85 PolarHBondContact OG1-N 2.99Å
84G87.3Confident89.3Confident26 Ų2649.7 Ų49.727%0.26826%0.261SS..  trans63.917.7-17300000114.5Y48 D80Y48-G84 VanDerWaalsContact CE1-CA 3.49Å; D80-G84 WeakPolarHBondContact O-CA 3.47Å; D80-G84 PolarHBondContact O-N 2.67Å
85K90.5Very high89.2Confident146 Ų14647.4 Ų47.464%0.63525%0.25SC*.  trans-86.1146.3175.4-68.1-179.3179.6175.60110.5W79 D80 T83 L87W79-K85 WeakPolarHBondContact CA-O 3.47Å; D80-K85 PolarHBondContact N-O 2.85Å; T83-K85 PolarHBondContact O-N 2.88Å; T83-K85 PolarHBondContact OG1-N 2.99Å; K85-L87 PolarHBondContact O-N 3.19Å
86Q90.9Very high89.3Confident68 Ų6847.2 Ų47.232%0.31825%0.248SC..EExtended strand (participates in β ladder)trans-73.6122.2171.8-168.5-178.9-35.700109.4R77 W79 A88 L89R77-Q86 HydrophobicContact CB-CG 4.5Å; W79-Q86 HydrophobicContact CD2-CB 4.44Å; W79-Q86 HydrophobicContact CE3-CB 3.84Å; W79-Q86 HydrophobicContact CE3-CG 4.41Å; W79-Q86 HydrophobicContact CH2-CB 4.22Å; W79-Q86 HydrophobicContact CH2-CG 4.48Å; W79-Q86 HydrophobicContact CZ3-CB 3.71Å; W79-Q86 HydrophobicContact CZ3-CG 4.37Å; Q86-A88 WeakPolarHBondContact CG-O 3.16Å; Q86-A88 PolarHBondContact NE2-O 3.12Å; Q86-L89 VanDerWaalsContact NE2-CB 3.31Å
87L88.4Confident89.2Confident96 Ų9650.8 Ų50.850%0.50326%0.262SS..EExtended strand (participates in β ladder)trans-86.1-43.1176.9-66.8175.9000111.5N66 L78 D80 K85N66-L87 WeakPolarHBondContact OD1-CD1 3.39Å; L78-L87 HydrophobicContact CD2-CB 4.35Å; L78-L87 HydrophobicContact CD2-CD1 4.37Å; L78-L87 PolarHBondContact O-N 3.3Å; D80-L87 HydrophobicContact CB-CD1 3.94Å; D80-L87 HydrophobicContact CB-CD2 4.05Å; D80-L87 HydrophobicContact CB-CG 3.9Å; K85-L87 PolarHBondContact O-N 3.19Å
88A87.1Confident89.1Confident17 Ų1750 Ų5014%0.1426%0.26CS..EExtended strand (participates in β ladder)trans-143.8153.9-177.500000112.5L78 Q86 M133L78-A88 HydrophobicContact CB-CB 4.04Å; L78-A88 PolarHBondContact N-O 2.98Å; L78-A88 PolarHBondContact O-N 3.25Å; Q86-A88 WeakPolarHBondContact CG-O 3.16Å; Q86-A88 PolarHBondContact NE2-O 3.12Å; A88-M133 HydrophobicContact CB-CE 3.42Å; A88-M133 VanDerWaalsContact CB-CE 3.42Å
89L89.8Confident89.1Confident72 Ų7249.8 Ų49.838%0.37726%0.259SS..EExtended strand (participates in β ladder)trans-123.1112.6173.9-176.659.5000109.2R77 Q86R77-L89 HydrophobicContact CG-CD1 3.67Å; Q86-L89 VanDerWaalsContact NE2-CB 3.31Å
90L87.7Confident89Confident1 Ų149.8 Ų49.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-100.8109.7173-61.6172.5000108.3S75 C76 I108 F110 F125 M133S75-L90 CarbonylContact C-O 3.54Å; S75-L90 WeakPolarHBondContact CA-O 3.32Å; C76-L90 HydrophobicContact CB-CB 4.11Å; C76-L90 HydrophobicContact CB-CD1 4.49Å; C76-L90 PolarHBondContact N-O 2.87Å; C76-L90 WeakPolarHBondContact O-CB 3.31Å; C76-L90 PolarHBondContact O-N 3.28Å; L90-I108 HydrophobicContact CD1-CD1 3.92Å; L90-F110 HydrophobicContact CD1-CE1 4.18Å; L90-F125 HydrophobicContact CD1-CD1 4.31Å; L90-F125 HydrophobicContact CD1-CE1 4.45Å; L90-F125 HydrophobicContact CD1-CG 4.36Å; L90-F125 HydrophobicContact CD2-CD1 4.09Å; L90-F125 HydrophobicContact CD2-CE1 3.8Å; L90-F125 HydrophobicContact CD2-CZ 4.4Å; L90-M133 HydrophobicContact CD1-CE 3.87Å; L90-M133 HydrophobicContact CD1-SD 4.08Å; L90-M133 HydrophobicContact CD2-CE 3.96Å; L90-M133 HydrophobicContact CD2-SD 3.83Å; L90-M133 HydrophobicContact CG-CE 3.96Å; L90-M133 HydrophobicContact CG-SD 4.34Å
91N86.8Confident89Confident93 Ų9348.8 Ų48.850%0.49726%0.255SS..EExtended strand (participates in β ladder)trans-85.5117.3-179.8-70.4-39.7000109.7N136N91-N136 PolarHBondContact N-OD1 2.96Å; N91-N136 PolarHBondContact O-ND2 2.9Å
92T83.4Confident89Confident18 Ų1848.7 Ų48.711%0.1125%0.254CS..  trans-100.5157.3177.556.40000110.1N74 S94 V96 F110N74-T92 VanDerWaalsContact CB-O 3.31Å; N74-T92 WeakPolarHBondContact CB-O 3.48Å; N74-T92 PolarHBondContact O-N 2.83Å; N74-T92 VanDerWaalsContact O-O 3.09Å; N74-T92 PolarHBondContact O-OG1 2.92Å; T92-S94 VanDerWaalsContact C-N 3.28Å; T92-S94 WeakPolarHBondContact CB-O 3.46Å; T92-S94 PolarHBondContact OG1-O 2.93Å; T92-V96 HydrophobicContact CG2-CG2 4.21Å; T92-F110 HydrophobicContact CG2-CD2 4.39Å; T92-F110 HydrophobicContact CG2-CE2 3.43Å; T92-F110 VanDerWaalsContact CG2-CE2 3.43Å; T92-F110 HydrophobicContact CG2-CZ 3.69Å
93N82.9Confident88.7Confident115 Ų11545 Ų4562%0.61524%0.236SC*.SBendtrans-82.7-9.6175.2-69.4-30.7000112.9Y118N93-Y118 HydrophobicContact CB-CD1 3.88Å; N93-Y118 HydrophobicContact CB-CE1 3.58Å; N93-Y118 HydrophobicContact CB-CE2 4.42Å; N93-Y118 HydrophobicContact CB-CG 4.43Å
94S87.9Confident88.5Confident3 Ų344.6 Ų44.62%0.02124%0.236CC..SBendtrans-142.2163.3-179-175.10000109.8N74 T92 D113N74-S94 VanDerWaalsContact OD1-C 3.24Å; T92-S94 VanDerWaalsContact C-N 3.28Å; T92-S94 WeakPolarHBondContact CB-O 3.46Å; T92-S94 PolarHBondContact OG1-O 2.93Å; S94-D113 PolarHBondContact OG-O 2.88Å
95A89.4Confident88.2Confident5 Ų543.7 Ų43.74%0.04123%0.227CC..  trans-63.9144.4-17900000111.3N74 T112 D113N74-A95 WeakPolarHBondContact OD1-CA 3.13Å; N74-A95 PolarHBondContact OD1-N 3.17Å; A95-T112 CarbonylContact O-C 3.53Å; A95-T112 WeakPolarHBondContact O-CA 3.49Å; A95-D113 HydrophobicContact CB-CB 4.42Å; A95-D113 PolarHBondContact O-N 2.86Å
96V91.6Very high88Confident0 Ų039.7 Ų39.70%021%0.212CC..EExtended strand (participates in β ladder)trans-87125.4176-177.80000109.1S71 C76 T92 F110 S111S71-V96 PolarHBondContact O-N 3.43Å; S71-V96 VanDerWaalsContact O-N 3.13Å; C76-V96 HydrophobicContact CB-CG2 4.17Å; T92-V96 HydrophobicContact CG2-CG2 4.21Å; V96-F110 HydrophobicContact CG1-CB 3.82Å; V96-F110 HydrophobicContact CG1-CD2 4.27Å; V96-F110 HydrophobicContact CG1-CG 4.36Å; V96-F110 HydrophobicContact CG2-CD2 4.16Å; V96-S111 WeakPolarHBondContact CA-O 3.45Å
97R90.9Very high88Confident76 Ų7638.1 Ų38.129%0.28721%0.205SC..EExtended strand (participates in β ladder)trans-94.9-40.8-178.8-69.3-61.5-59.6175.40.8112.4S111 D113R97-S111 PolarHBondContact N-O 3.1Å; R97-D113 HydrophobicContact CG-CB 3.63Å
98T91Very high88.1Confident10 Ų1033.5 Ų33.56%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-140.7147.1-176.578.20000108.7C57 F110 S111 T150C57-T98 VanDerWaalsContact SG-C 3.56Å; T98-F110 CarbonylContact O-C 3.58Å; T98-F110 WeakPolarHBondContact O-CA 3.04Å; T98-F110 VanDerWaalsContact O-CB 3.31Å; T98-F110 WeakPolarHBondContact O-CB 3.35Å; T98-S111 WeakPolarHBondContact CB-OG 3.33Å; T98-S111 WeakPolarHBondContact CG2-OG 3.34Å; T98-S111 PolarHBondContact N-OG 3.38Å; T98-S111 VanDerWaalsContact N-OG 3.15Å; T98-S111 PolarHBondContact O-N 3.29Å; T98-S111 WeakPolarHBondContact OG1-CB 3.47Å; T98-S111 PolarHBondContact OG1-OG 2.89Å; T98-T150 WeakPolarHBondContact CG2-O 3.35Å
99C92.6Very high88.4Confident9 Ų932.7 Ų32.76%0.06118%0.175CC..EExtended strand (participates in β ladder)trans-134.3155.1170.360.70000109.2L68 M109 F110L68-C99 HydrophobicContact CD2-CB 3.78Å; L68-C99 HydrophobicContact CG-CB 4.12Å; C99-M109 CarbonylContact C-O 3.59Å; C99-M109 VanDerWaalsContact CA-O 3.26Å; C99-M109 WeakPolarHBondContact CA-O 3.37Å; C99-F110 HydrophobicContact CB-CB 4.31Å
100G91.8Very high88.5Confident5 Ų529.3 Ų29.35%0.05216%0.157CC..EExtended strand (participates in β ladder)trans-162.4135.8178.300000112.7D59 M109 W154D59-G100 WeakPolarHBondContact OD2-CA 3.41Å; G100-M109 PolarHBondContact N-O 2.82Å; G100-M109 PolarHBondContact O-N 2.9Å; G100-W154 PolarHBondContact O-NE1 2.87Å
101F91.7Very high88.6Confident9 Ų929.3 Ų29.34%0.03916%0.157CC..EExtended strand (participates in β ladder)trans-82.8140.3168.2-77.5-92.5000111.3D59 C60 D61 N66 L68 L78 I108 L127 W154D59-F101 HydrophobicContact CB-CD2 4.11Å; D59-F101 PolarHBondContact OD2-N 2.96Å; C60-F101 VanDerWaalsContact C-CD2 3.48Å; D61-F101 HydrophobicContact CB-CD1 4.01Å; D61-F101 HydrophobicContact CB-CE1 3.92Å; D61-F101 HydrophobicContact CB-CE2 4.49Å; D61-F101 HydrophobicContact CB-CG 4.35Å; D61-F101 HydrophobicContact CB-CZ 4.18Å; N66-F101 HydrophobicContact CB-CE1 4.26Å; N66-F101 HydrophobicContact CB-CZ 4.04Å; L68-F101 HydrophobicContact CB-CD2 4.23Å; L68-F101 HydrophobicContact CB-CE2 3.31Å; L68-F101 HydrophobicContact CB-CZ 3.69Å; L68-F101 HydrophobicContact CD2-CE2 4.46Å; L78-F101 HydrophobicContact CD1-CE1 4.34Å; L78-F101 HydrophobicContact CD1-CZ 3.82Å; F101-I108 HydrophobicContact CD1-CG2 3.53Å; F101-I108 HydrophobicContact CE1-CG2 3.45Å; F101-I108 VanDerWaalsContact CE1-CG2 3.45Å; F101-I108 HydrophobicContact CG-CG2 4.19Å; F101-I108 HydrophobicContact CZ-CG2 4.05Å; F101-L127 HydrophobicContact CD1-CD1 4.42Å; F101-L127 HydrophobicContact CE1-CD1 3.76Å; F101-W154 VanDerWaalsContact C-CD1 3.43Å; F101-W154 VanDerWaalsContact C-NE1 3.35Å; F101-W154 PolarHBondContact O-NE1 2.77Å
102D90Very high88.8Confident8 Ų825.2 Ų25.24%0.04314%0.135CC..  trans-63.1159166.7177.745.5000111.3S104 G105 I107 W154 G158D102-S104 PolarHBondContact O-N 2.89Å; D102-S104 VanDerWaalsContact O-N 3.16Å; D102-S104 VanDerWaalsContact OD2-CB 3.24Å; D102-S104 WeakPolarHBondContact OD2-CB 3.21Å; D102-S104 PolarHBondContact OD2-N 2.85Å; D102-S104 PolarHBondContact OD2-OG 3.09Å; D102-G105 PolarHBondContact O-N 3.46Å; D102-I107 HydrophobicContact CB-CB 3.89Å; D102-I107 VanDerWaalsContact CB-O 3.29Å; D102-I107 WeakPolarHBondContact CB-O 3.19Å; D102-I107 PolarHBondContact N-O 2.84Å; D102-W154 HydrophobicContact CB-CD2 4.44Å; D102-W154 HydrophobicContact CB-CH2 4.38Å; D102-W154 HydrophobicContact CB-CZ2 4.14Å; D102-G158 WeakPolarHBondContact OD1-CA 3.39Å
103F82.9Confident88.9Confident90 Ų9025.7 Ų25.740%0.39514%0.137SC..THydrogen-bonded Turntrans-52.3-35172.9-171.3-87.3000112.9W62 G105 L200W62-F103 AromaticContact CE2-CD2 3.82Å; W62-F103 AromaticContact CH2-CD2 3.4Å; W62-F103 HydrophobicContact CH2-CD2 3.4Å; W62-F103 VanDerWaalsContact CH2-CD2 3.4Å; W62-F103 AromaticContact CH2-CE2 3.06Å; W62-F103 HydrophobicContact CH2-CE2 3.06Å; W62-F103 HydrophobicContact CH2-CG 4.45Å; W62-F103 AromaticContact CH2-CZ 3.9Å; W62-F103 HydrophobicContact CH2-CZ 3.9Å; W62-F103 AromaticContact CZ2-CD2 3.16Å; W62-F103 HydrophobicContact CZ2-CD2 3.16Å; W62-F103 AromaticContact CZ2-CE2 3.43Å; W62-F103 HydrophobicContact CZ2-CE2 3.43Å; W62-F103 VanDerWaalsContact CZ2-CE2 3.43Å; W62-F103 HydrophobicContact CZ2-CG 4.03Å; W62-F103 HydrophobicContact CZ2-CZ 4.42Å; W62-F103 HydrophobicContact CZ3-CD2 4.29Å; W62-F103 AromaticContact CZ3-CE2 3.74Å; W62-F103 HydrophobicContact CZ3-CE2 3.74Å; W62-F103 HydrophobicContact CZ3-CZ 4.12Å; F103-G105 VanDerWaalsContact C-N 3.31Å; F103-L200 HydrophobicContact CD2-CD1 4Å
104S82.9Confident88.8Confident70 Ų7025.6 Ų25.649%0.4913%0.131SC..THydrogen-bonded Turntrans-82.2-7.7-179.1-41.80000113.6D102 N106D102-S104 PolarHBondContact O-N 2.89Å; D102-S104 VanDerWaalsContact O-N 3.16Å; D102-S104 VanDerWaalsContact OD2-CB 3.24Å; D102-S104 WeakPolarHBondContact OD2-CB 3.21Å; D102-S104 PolarHBondContact OD2-N 2.85Å; D102-S104 PolarHBondContact OD2-OG 3.09Å; S104-N106 PolarHBondContact O-N 2.95Å; S104-N106 PolarHBondContact O-ND2 3.31Å
105G82.7Confident88.2Confident7 Ų729.2 Ų29.27%0.07215%0.148CC..SBendtrans70.4-7.2-174.700000115.6D61 D102 F103D61-G105 WeakPolarHBondContact OD1-CA 3.26Å; D102-G105 PolarHBondContact O-N 3.46Å; F103-G105 VanDerWaalsContact C-N 3.31Å
106N86.6Confident87.2Confident62 Ų6238.5 Ų38.533%0.33219%0.193SC..SBendtrans-84.7-29.1-175.4-64.5-54000113.2S104 L127 R128S104-N106 PolarHBondContact O-N 2.95Å; S104-N106 PolarHBondContact O-ND2 3.31Å; N106-L127 WeakPolarHBondContact O-CB 3.39Å; N106-L127 PolarHBondContact O-N 3.19Å; N106-R128 HydrophobicContact CB-CG 4.12Å
107I89.8Confident86.1Confident34 Ų3442.4 Ų42.417%0.17423%0.233CC..EExtended strand (participates in β ladder)trans-111.3134.8-176.8-61.9171.7000108D102 F124 F125 Y139 W154D102-I107 HydrophobicContact CB-CB 3.89Å; D102-I107 VanDerWaalsContact CB-O 3.29Å; D102-I107 WeakPolarHBondContact CB-O 3.19Å; D102-I107 PolarHBondContact N-O 2.84Å; I107-F124 HydrophobicContact CG2-CB 4.49Å; I107-F124 HydrophobicContact CG2-CD1 4.36Å; I107-F125 WeakPolarHBondContact CA-O 3.31Å; I107-Y139 HydrophobicContact CG2-CE1 3.96Å; I107-W154 HydrophobicContact CG2-CH2 3.78Å; I107-W154 HydrophobicContact CG2-CZ2 3.86Å
108I91.1Very high85.5Confident0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-111.1146.8168.662.9170.4000109.5L68 L90 F101 F124 F125 L127L68-I108 HydrophobicContact CD1-CD1 3.87Å; L68-I108 HydrophobicContact CD2-CB 3.76Å; L68-I108 HydrophobicContact CD2-CD1 3.95Å; L68-I108 HydrophobicContact CD2-CG1 4.4Å; L68-I108 HydrophobicContact CD2-CG2 3.94Å; L90-I108 HydrophobicContact CD1-CD1 3.92Å; F101-I108 HydrophobicContact CD1-CG2 3.53Å; F101-I108 HydrophobicContact CE1-CG2 3.45Å; F101-I108 VanDerWaalsContact CE1-CG2 3.45Å; F101-I108 HydrophobicContact CG-CG2 4.19Å; F101-I108 HydrophobicContact CZ-CG2 4.05Å; I108-F124 WeakPolarHBondContact O-CA 3.38Å; I108-F125 HydrophobicContact CD1-CB 4.05Å; I108-F125 HydrophobicContact CG1-CB 3.64Å; I108-F125 PolarHBondContact N-O 2.79Å; I108-F125 PolarHBondContact O-N 2.58Å; I108-L127 HydrophobicContact CD1-CD2 4.05Å; I108-L127 HydrophobicContact CG1-CD2 4.28Å; I108-L127 HydrophobicContact CG2-CD1 3.73Å; I108-L127 HydrophobicContact CG2-CD2 4.19Å; I108-L127 HydrophobicContact CG2-CG 3.99Å
109M91.9Very high85.1Confident0 Ų048.9 Ų48.90%026%0.262CS..EExtended strand (participates in β ladder)trans-119140.7171.6173.4-168.468.700108.7C99 G100 L122 N123 F124 A152 W154 V161C99-M109 CarbonylContact C-O 3.59Å; C99-M109 VanDerWaalsContact CA-O 3.26Å; C99-M109 WeakPolarHBondContact CA-O 3.37Å; G100-M109 PolarHBondContact N-O 2.82Å; G100-M109 PolarHBondContact O-N 2.9Å; M109-L122 HydrophobicContact CG-CD1 3.62Å; M109-L122 HydrophobicContact CG-CG 3.99Å; M109-L122 HydrophobicContact SD-CD1 3.62Å; M109-L122 HydrophobicContact SD-CD2 3.99Å; M109-L122 HydrophobicContact SD-CG 4.03Å; M109-N123 WeakPolarHBondContact CA-O 2.86Å; M109-F124 HydrophobicContact CB-CD1 3.9Å; M109-F124 HydrophobicContact CB-CE1 3.91Å; M109-F124 HydrophobicContact CG-CD1 4.15Å; M109-F124 HydrophobicContact CG-CE1 3.82Å; M109-F124 HydrophobicContact CG-CZ 4.32Å; M109-F124 HydrophobicContact SD-CE1 4Å; M109-F124 HydrophobicContact SD-CZ 4.31Å; M109-A152 HydrophobicContact CE-CB 3.73Å; M109-A152 HydrophobicContact SD-CB 4.31Å; M109-W154 HydrophobicContact CB-CZ2 3.52Å; M109-V161 HydrophobicContact CE-CG1 3.92Å; M109-V161 HydrophobicContact CE-CG2 4.48Å; M109-V161 HydrophobicContact SD-CB 3.96Å; M109-V161 HydrophobicContact SD-CG1 3.29Å; M109-V161 WeakPolarHBondContact SD-CG1 3.39Å; M109-V161 HydrophobicContact SD-CG2 3.43Å; M109-V161 WeakPolarHBondContact SD-CG2 3.35Å
110F91.9Very high84.6Confident1 Ų148.5 Ų48.50%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-142.5148.8161.764.7-96.7000111.8C76 L90 T92 V96 T98 C99 T112 N123 F125C76-F110 HydrophobicContact CB-CD1 4.45Å; L90-F110 HydrophobicContact CD1-CE1 4.18Å; T92-F110 HydrophobicContact CG2-CD2 4.39Å; T92-F110 HydrophobicContact CG2-CE2 3.43Å; T92-F110 VanDerWaalsContact CG2-CE2 3.43Å; T92-F110 HydrophobicContact CG2-CZ 3.69Å; V96-F110 HydrophobicContact CG1-CB 3.82Å; V96-F110 HydrophobicContact CG1-CD2 4.27Å; V96-F110 HydrophobicContact CG1-CG 4.36Å; V96-F110 HydrophobicContact CG2-CD2 4.16Å; T98-F110 CarbonylContact O-C 3.58Å; T98-F110 WeakPolarHBondContact O-CA 3.04Å; T98-F110 VanDerWaalsContact O-CB 3.31Å; T98-F110 WeakPolarHBondContact O-CB 3.35Å; C99-F110 HydrophobicContact CB-CB 4.31Å; F110-T112 HydrophobicContact CD2-CG2 4.27Å; F110-T112 HydrophobicContact CE2-CG2 4.03Å; F110-N123 HydrophobicContact CD2-CB 4.33Å; F110-N123 HydrophobicContact CE1-CB 4.27Å; F110-N123 HydrophobicContact CE2-CB 3.88Å; F110-N123 WeakPolarHBondContact CE2-ND2 3.4Å; F110-N123 HydrophobicContact CZ-CB 3.87Å; F110-N123 PolarHBondContact N-O 2.88Å; F110-N123 PolarHBondContact O-N 2.88Å; F110-F125 HydrophobicContact CD1-CD2 4.21Å; F110-F125 HydrophobicContact CD1-CE2 4.34Å; F110-F125 AromaticContact CE1-CD2 3.37Å; F110-F125 HydrophobicContact CE1-CD2 3.37Å; F110-F125 AromaticContact CE1-CE2 3.17Å; F110-F125 HydrophobicContact CE1-CE2 3.17Å; F110-F125 HydrophobicContact CE1-CG 4.45Å; F110-F125 HydrophobicContact CE1-CZ 4.14Å; F110-F125 HydrophobicContact CZ-CD2 4.02Å; F110-F125 AromaticContact CZ-CE2 3.33Å; F110-F125 HydrophobicContact CZ-CE2 3.33Å; F110-F125 HydrophobicContact CZ-CZ 4.1Å
111S91.3Very high84.4Confident0 Ų051.3 Ų51.30%027%0.27CS..EExtended strand (participates in β ladder)trans-101.6138.9175.565.20000110.9V96 R97 T98 F121V96-S111 WeakPolarHBondContact CA-O 3.45Å; R97-S111 PolarHBondContact N-O 3.1Å; T98-S111 WeakPolarHBondContact CB-OG 3.33Å; T98-S111 WeakPolarHBondContact CG2-OG 3.34Å; T98-S111 PolarHBondContact N-OG 3.38Å; T98-S111 VanDerWaalsContact N-OG 3.15Å; T98-S111 PolarHBondContact O-N 3.29Å; T98-S111 WeakPolarHBondContact OG1-CB 3.47Å; T98-S111 PolarHBondContact OG1-OG 2.89Å; S111-F121 WeakPolarHBondContact CA-O 3.44Å
112T89.4Confident84.2Confident7 Ų750.9 Ų50.94%0.04327%0.268CS..EExtended strand (participates in β ladder)trans-97.5146.8173.3620000111.1A95 F110 C120 F121A95-T112 CarbonylContact O-C 3.53Å; A95-T112 WeakPolarHBondContact O-CA 3.49Å; F110-T112 HydrophobicContact CD2-CG2 4.27Å; F110-T112 HydrophobicContact CE2-CG2 4.03Å; T112-C120 PolarHBondContact O-SG 2.83Å; T112-F121 PolarHBondContact N-O 2.87Å; T112-F121 PolarHBondContact OG1-N 3.35Å; T112-F121 PolarHBondContact OG1-O 2.86Å
113D86.2Confident84.2Confident28 Ų2851.2 Ų51.215%0.1527%0.27CS..PPolyproline II helixtrans-75.1154.2176.1-154.1-4.4000111.6S94 A95 R97 Q115S94-D113 PolarHBondContact OG-O 2.88Å; A95-D113 HydrophobicContact CB-CB 4.42Å; A95-D113 PolarHBondContact O-N 2.86Å; R97-D113 HydrophobicContact CG-CB 3.63Å; D113-Q115 HydrophobicContact CB-CG 4.45Å; D113-Q115 PolarHBondContact O-N 2.84Å
114K82.2Confident84.6Confident114 Ų11447 Ų4750%0.49625%0.251SS..  trans-83.2104.2170.5-174.6175.2-179.9170.90108.8C120 K148K114-C120 HydrophobicContact CB-CB 4.23Å; K114-K148 HydrophobicContact CB-CB 3.98Å
115Q74.8Confident84.8Confident79 Ų7943.8 Ų43.837%0.36923%0.229SC..BIsolated β-bridgetrans-112.5164.8175-65.3-175.3-1.800110.7D113 G117 Y118D113-Q115 HydrophobicContact CB-CG 4.45Å; D113-Q115 PolarHBondContact O-N 2.84Å; Q115-G117 PolarHBondContact O-N 2.83Å; Q115-Y118 PolarHBondContact O-N 2.9Å; Q115-Y118 VanDerWaalsContact O-O 3.04Å
116M67.8Low85.1Confident200 Ų20044.6 Ų44.699%0.98523%0.232SC*.THydrogen-bonded Turntrans-56.8110.4-178.3-66.7-168.4-179.300110.8
117G69.3Low84.9Confident82 Ų8243.4 Ų43.485%0.84523%0.225SC*.THydrogen-bonded Turntrans99.3-14.3-179.900000115.7Q115Q115-G117 PolarHBondContact O-N 2.83Å
118Y78.1Confident84.5Confident116 Ų11649.4 Ų49.446%0.45525%0.245SC..BIsolated β-bridgetrans-117.2132.4179.2-64.9-71.3000111.7N93 Q115N93-Y118 HydrophobicContact CB-CD1 3.88Å; N93-Y118 HydrophobicContact CB-CE1 3.58Å; N93-Y118 HydrophobicContact CB-CE2 4.42Å; N93-Y118 HydrophobicContact CB-CG 4.43Å; Q115-Y118 PolarHBondContact O-N 2.9Å; Q115-Y118 VanDerWaalsContact O-O 3.04Å
119Q81.3Confident83.9Confident105 Ų10552.1 Ų52.149%0.49126%0.26SS..  trans-76.6155.2174-63.5-175.4-3.200110.6F121Q119-F121 HydrophobicContact CB-CD2 4.34Å; Q119-F121 HydrophobicContact CB-CE2 3.64Å; Q119-F121 HydrophobicContact CB-CZ 3.81Å; Q119-F121 WeakPolarHBondContact O-CD2 3.26Å; Q119-F121 WeakPolarHBondContact O-CE2 3.18Å
120C83.8Confident83.1Confident1 Ų156 Ų561%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-74.9126.7170.5176.40000108.3T112 K114 C144 I149T112-C120 PolarHBondContact O-SG 2.83Å; K114-C120 HydrophobicContact CB-CB 4.23Å; C120-C144 HydrophobicContact CB-CB 4.39Å; C120-C144 PolarHBondContact O-N 3.3Å; C120-I149 PolarHBondContact SG-N 3.31Å
121F86.1Confident82.2Confident64 Ų6462.1 Ų62.128%0.28131%0.314SS..EExtended strand (participates in β ladder)trans-124.4141.6176.1-64.9-84.7000109.5S111 T112 Q119 V142 P143S111-F121 WeakPolarHBondContact CA-O 3.44Å; T112-F121 PolarHBondContact N-O 2.87Å; T112-F121 PolarHBondContact OG1-N 3.35Å; T112-F121 PolarHBondContact OG1-O 2.86Å; Q119-F121 HydrophobicContact CB-CD2 4.34Å; Q119-F121 HydrophobicContact CB-CE2 3.64Å; Q119-F121 HydrophobicContact CB-CZ 3.81Å; Q119-F121 WeakPolarHBondContact O-CD2 3.26Å; Q119-F121 WeakPolarHBondContact O-CE2 3.18Å; F121-V142 WeakPolarHBondContact CA-O 3.47Å; F121-P143 HydrophobicContact CD1-CB 4.04Å; F121-P143 HydrophobicContact CE1-CB 3.76Å
122L88.7Confident81.4Confident0 Ų063.7 Ų63.70%032%0.321CS..EExtended strand (participates in β ladder)trans-95.7111.2161.5-167.667.4000107.3M109 F124 S141 V142 I149 A152 V161 F173M109-L122 HydrophobicContact CG-CD1 3.62Å; M109-L122 HydrophobicContact CG-CG 3.99Å; M109-L122 HydrophobicContact SD-CD1 3.62Å; M109-L122 HydrophobicContact SD-CD2 3.99Å; M109-L122 HydrophobicContact SD-CG 4.03Å; L122-F124 HydrophobicContact CD2-CE2 3.92Å; L122-F124 HydrophobicContact CD2-CZ 3.62Å; L122-F124 HydrophobicContact CG-CE2 3.98Å; L122-F124 HydrophobicContact CG-CZ 3.98Å; L122-S141 WeakPolarHBondContact O-CA 3.42Å; L122-V142 HydrophobicContact CB-CB 4.22Å; L122-V142 PolarHBondContact N-O 3.17Å; L122-V142 PolarHBondContact O-N 3.48Å; L122-I149 HydrophobicContact CB-CD1 4.19Å; L122-I149 HydrophobicContact CD1-CD1 4.25Å; L122-A152 HydrophobicContact CD1-CB 4.48Å; L122-V161 HydrophobicContact CD2-CB 4.37Å; L122-V161 HydrophobicContact CD2-CG1 4.02Å; L122-F173 HydrophobicContact CD2-CD2 4.46Å
123N90.4Very high80.6Confident16 Ų1664.5 Ų64.59%0.08632%0.324CS..EExtended strand (participates in β ladder)trans-104.1141.1-177-61.8-52.7000110.3M109 F110 F125 P138 S141M109-N123 WeakPolarHBondContact CA-O 2.86Å; F110-N123 HydrophobicContact CD2-CB 4.33Å; F110-N123 HydrophobicContact CE1-CB 4.27Å; F110-N123 HydrophobicContact CE2-CB 3.88Å; F110-N123 WeakPolarHBondContact CE2-ND2 3.4Å; F110-N123 HydrophobicContact CZ-CB 3.87Å; F110-N123 PolarHBondContact N-O 2.88Å; F110-N123 PolarHBondContact O-N 2.88Å; N123-F125 HydrophobicContact CB-CD2 4.45Å; N123-F125 HydrophobicContact CB-CE2 4.02Å; N123-P138 HydrophobicContact CB-CB 4.21Å; N123-S141 WeakPolarHBondContact OD1-CB 3.46Å; N123-S141 PolarHBondContact OD1-OG 3.21Å
124F90.1Very high79.9Confident0 Ų070.9 Ų70.90%035%0.354CS..EExtended strand (participates in β ladder)trans-120.6133.4175.2-58.5-91.1000110I107 I108 M109 L122 P138 Y139 L140 V142 W154 V161I107-F124 HydrophobicContact CG2-CB 4.49Å; I107-F124 HydrophobicContact CG2-CD1 4.36Å; I108-F124 WeakPolarHBondContact O-CA 3.38Å; M109-F124 HydrophobicContact CB-CD1 3.9Å; M109-F124 HydrophobicContact CB-CE1 3.91Å; M109-F124 HydrophobicContact CG-CD1 4.15Å; M109-F124 HydrophobicContact CG-CE1 3.82Å; M109-F124 HydrophobicContact CG-CZ 4.32Å; M109-F124 HydrophobicContact SD-CE1 4Å; M109-F124 HydrophobicContact SD-CZ 4.31Å; L122-F124 HydrophobicContact CD2-CE2 3.92Å; L122-F124 HydrophobicContact CD2-CZ 3.62Å; L122-F124 HydrophobicContact CG-CE2 3.98Å; L122-F124 HydrophobicContact CG-CZ 3.98Å; F124-P138 WeakPolarHBondContact O-CA 3.38Å; F124-P138 VanDerWaalsContact O-CB 3.31Å; F124-P138 WeakPolarHBondContact O-CB 3.46Å; F124-Y139 HydrophobicContact CB-CD1 4.05Å; F124-Y139 HydrophobicContact CB-CE1 3.31Å; F124-Y139 HydrophobicContact CB-CE2 4.2Å; F124-Y139 WeakPolarHBondContact CB-OH 3.44Å; F124-Y139 VanDerWaalsContact O-CD1 3.25Å; F124-Y139 WeakPolarHBondContact O-CD1 3.36Å; F124-Y139 PolarHBondContact O-N 2.63Å; F124-Y139 VanDerWaalsContact O-N 3.08Å; F124-L140 HydrophobicContact CB-CB 4.25Å; F124-L140 HydrophobicContact CD2-CB 4.02Å; F124-L140 HydrophobicContact CD2-CD2 3.81Å; F124-L140 HydrophobicContact CD2-CG 3.96Å; F124-L140 HydrophobicContact CE2-CD2 4.04Å; F124-L140 HydrophobicContact CE2-CG 4.48Å; F124-L140 PolarHBondContact N-O 3.45Å; F124-V142 HydrophobicContact CE2-CG2 4Å; F124-W154 AromaticContact CD1-CH2 3.54Å; F124-W154 HydrophobicContact CD1-CH2 3.54Å; F124-W154 AromaticContact CD1-CZ2 3.82Å; F124-W154 HydrophobicContact CD1-CZ2 3.82Å; F124-W154 AromaticContact CE1-CH2 3.42Å; F124-W154 HydrophobicContact CE1-CH2 3.42Å; F124-W154 VanDerWaalsContact CE1-CH2 3.42Å; F124-W154 AromaticContact CE1-CZ2 3.8Å; F124-W154 HydrophobicContact CE1-CZ2 3.8Å; F124-W154 HydrophobicContact CE1-CZ3 4.07Å; F124-V161 HydrophobicContact CE1-CG2 3.68Å; F124-V161 HydrophobicContact CZ-CG2 3.82Å
125F88.3Confident79.5Confident3 Ų371.4 Ų71.41%0.01336%0.362CS..EExtended strand (participates in β ladder)trans-124.2140.9177-75.5-106000109.5L90 I107 I108 F110 N123 M133 P138L90-F125 HydrophobicContact CD1-CD1 4.31Å; L90-F125 HydrophobicContact CD1-CE1 4.45Å; L90-F125 HydrophobicContact CD1-CG 4.36Å; L90-F125 HydrophobicContact CD2-CD1 4.09Å; L90-F125 HydrophobicContact CD2-CE1 3.8Å; L90-F125 HydrophobicContact CD2-CZ 4.4Å; I107-F125 WeakPolarHBondContact CA-O 3.31Å; I108-F125 HydrophobicContact CD1-CB 4.05Å; I108-F125 HydrophobicContact CG1-CB 3.64Å; I108-F125 PolarHBondContact N-O 2.79Å; I108-F125 PolarHBondContact O-N 2.58Å; F110-F125 HydrophobicContact CD1-CD2 4.21Å; F110-F125 HydrophobicContact CD1-CE2 4.34Å; F110-F125 AromaticContact CE1-CD2 3.37Å; F110-F125 HydrophobicContact CE1-CD2 3.37Å; F110-F125 AromaticContact CE1-CE2 3.17Å; F110-F125 HydrophobicContact CE1-CE2 3.17Å; F110-F125 HydrophobicContact CE1-CG 4.45Å; F110-F125 HydrophobicContact CE1-CZ 4.14Å; F110-F125 HydrophobicContact CZ-CD2 4.02Å; F110-F125 AromaticContact CZ-CE2 3.33Å; F110-F125 HydrophobicContact CZ-CE2 3.33Å; F110-F125 HydrophobicContact CZ-CZ 4.1Å; N123-F125 HydrophobicContact CB-CD2 4.45Å; N123-F125 HydrophobicContact CB-CE2 4.02Å; F125-M133 HydrophobicContact CD1-SD 4.24Å; F125-P138 HydrophobicContact CD2-CB 3.99Å; F125-P138 HydrophobicContact CE1-CB 4.37Å; F125-P138 HydrophobicContact CE2-CB 3.54Å; F125-P138 HydrophobicContact CE2-CG 4.23Å; F125-P138 HydrophobicContact CZ-CB 3.77Å; F125-P138 HydrophobicContact CZ-CG 4.16Å
126D87.8Confident79.7Confident25 Ų2570.1 Ų70.113%0.13436%0.357CS..EExtended strand (participates in β ladder)trans-97.7117.6172.1-167.1-20.2000108.9R128 D129 Y139D126-R128 PolarHBondContact O-N 3.1Å; D126-R128 VanDerWaalsContact OD1-CB 3.27Å; D126-R128 WeakPolarHBondContact OD1-CB 3.33Å; D126-R128 WeakPolarHBondContact OD1-CG 3.13Å; D126-R128 IonicContact OD1-CZ 3.75Å; D126-R128 PolarHBondContact OD1-N 2.91Å; D126-R128 IonicContact OD1-NE 3.22Å; D126-R128 PolarHBondContact OD1-NE 3.5Å; D126-R128 IonicContact OD1-NH2 3.74Å; D126-R128 IonicContact OD2-CZ 3.36Å; D126-R128 IonicContact OD2-NE 3.44Å; D126-R128 PolarHBondContact OD2-NE 3.28Å; D126-R128 IonicContact OD2-NH2 2.68Å; D126-R128 PolarHBondContact OD2-NH2 2.94Å; D126-D129 PolarHBondContact O-N 2.77Å; D126-Y139 HydrophobicContact CB-CD1 4.25Å
127L83.1Confident80.3Confident37 Ų3765.8 Ų65.819%0.19434%0.338CS..THydrogen-bonded Turntrans-69.8-16179.3-64.3-178.1000112.8L78 F101 N106 I108 D129 M133L78-L127 HydrophobicContact CD2-CD2 3.94Å; F101-L127 HydrophobicContact CD1-CD1 4.42Å; F101-L127 HydrophobicContact CE1-CD1 3.76Å; N106-L127 WeakPolarHBondContact O-CB 3.39Å; N106-L127 PolarHBondContact O-N 3.19Å; I108-L127 HydrophobicContact CD1-CD2 4.05Å; I108-L127 HydrophobicContact CG1-CD2 4.28Å; I108-L127 HydrophobicContact CG2-CD1 3.73Å; I108-L127 HydrophobicContact CG2-CD2 4.19Å; I108-L127 HydrophobicContact CG2-CG 3.99Å; L127-D129 VanDerWaalsContact C-N 3.29Å; L127-M133 HydrophobicContact CD2-CE 3.89Å; L127-M133 HydrophobicContact CD2-SD 3.94Å
128R81.3Confident80.9Confident160 Ų16063.1 Ų63.160%0.60431%0.306SS*.THydrogen-bonded Turntrans-77.9-16.3179.3-59172.8-64.5178.73.6113N106 D126 P130N106-R128 HydrophobicContact CB-CG 4.12Å; D126-R128 PolarHBondContact O-N 3.1Å; D126-R128 VanDerWaalsContact OD1-CB 3.27Å; D126-R128 WeakPolarHBondContact OD1-CB 3.33Å; D126-R128 WeakPolarHBondContact OD1-CG 3.13Å; D126-R128 IonicContact OD1-CZ 3.75Å; D126-R128 PolarHBondContact OD1-N 2.91Å; D126-R128 IonicContact OD1-NE 3.22Å; D126-R128 PolarHBondContact OD1-NE 3.5Å; D126-R128 IonicContact OD1-NH2 3.74Å; D126-R128 IonicContact OD2-CZ 3.36Å; D126-R128 IonicContact OD2-NE 3.44Å; D126-R128 PolarHBondContact OD2-NE 3.28Å; D126-R128 IonicContact OD2-NH2 2.68Å; D126-R128 PolarHBondContact OD2-NH2 2.94Å; R128-P130 WeakPolarHBondContact O-CD 3.22Å
129D79.1Confident81.2Confident57 Ų5761.9 Ų61.931%0.30530%0.301SS..  trans-106.696.7178.7-170.6-3.2000109.8D126 L127 Q131 Q132D126-D129 PolarHBondContact O-N 2.77Å; L127-D129 VanDerWaalsContact C-N 3.29Å; D129-Q131 PolarHBondContact O-N 2.89Å; D129-Q131 VanDerWaalsContact O-N 3.14Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.36Å; D129-Q131 PolarHBondContact OD1-N 2.67Å; D129-Q132 HydrophobicContact CB-CB 4.48Å; D129-Q132 HydrophobicContact CB-CG 4.01Å; D129-Q132 PolarHBondContact O-N 2.9Å; D129-Q132 VanDerWaalsContact O-N 3.11Å; D129-Q132 PolarHBondContact OD2-NE2 2.8Å
130P73.4Confident81.5Confident81 Ų8158.4 Ų58.453%0.52629%0.286SS..Hα-helixtrans-60-26.6-179-21.633.5000112.7R128 Q132 M133 E134R128-P130 WeakPolarHBondContact O-CD 3.22Å; P130-Q132 VanDerWaalsContact C-N 3.3Å; P130-Q132 PolarHBondContact O-N 3.45Å; P130-M133 PolarHBondContact O-N 2.98Å; P130-E134 PolarHBondContact O-N 2.98Å
131Q74.6Confident81.6Confident130 Ų13060.7 Ų60.761%0.60730%0.302SS*.Hα-helixtrans-64.9-36.1179.1-65.1-175.3-9.700111.3D129 M133 E134 D135D129-Q131 PolarHBondContact O-N 2.89Å; D129-Q131 VanDerWaalsContact O-N 3.14Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.36Å; D129-Q131 PolarHBondContact OD1-N 2.67Å; Q131-M133 VanDerWaalsContact C-N 3.26Å; Q131-M133 PolarHBondContact O-N 2.79Å; Q131-E134 PolarHBondContact O-N 3.15Å; Q131-D135 VanDerWaalsContact O-CB 3.27Å; Q131-D135 WeakPolarHBondContact O-CB 3.44Å; Q131-D135 PolarHBondContact O-N 2.9Å
132Q74.4Confident81.7Confident33 Ų3358.1 Ų58.115%0.15429%0.292CS..Hα-helixtrans-64-34.6176.3-68.7-178.4700112.3D129 P130 N136 N137D129-Q132 HydrophobicContact CB-CB 4.48Å; D129-Q132 HydrophobicContact CB-CG 4.01Å; D129-Q132 PolarHBondContact O-N 2.9Å; D129-Q132 VanDerWaalsContact O-N 3.11Å; D129-Q132 PolarHBondContact OD2-NE2 2.8Å; P130-Q132 VanDerWaalsContact C-N 3.3Å; P130-Q132 PolarHBondContact O-N 3.45Å; Q132-N136 VanDerWaalsContact O-CA 3.23Å; Q132-N136 WeakPolarHBondContact O-CA 3.46Å; Q132-N136 PolarHBondContact O-N 2.65Å; Q132-N137 PolarHBondContact O-N 3Å; Q132-N137 VanDerWaalsContact O-N 3.12Å
133M71.8Confident81.4Confident23 Ų2361.8 Ų61.811%0.11332%0.315CS..Hα-helixtrans-77.1-37.2179.2-59.7-65.9-72.700111.7L78 A88 L90 F125 L127 P130 Q131L78-M133 HydrophobicContact CD2-CE 4.34Å; A88-M133 HydrophobicContact CB-CE 3.42Å; A88-M133 VanDerWaalsContact CB-CE 3.42Å; L90-M133 HydrophobicContact CD1-CE 3.87Å; L90-M133 HydrophobicContact CD1-SD 4.08Å; L90-M133 HydrophobicContact CD2-CE 3.96Å; L90-M133 HydrophobicContact CD2-SD 3.83Å; L90-M133 HydrophobicContact CG-CE 3.96Å; L90-M133 HydrophobicContact CG-SD 4.34Å; F125-M133 HydrophobicContact CD1-SD 4.24Å; L127-M133 HydrophobicContact CD2-CE 3.89Å; L127-M133 HydrophobicContact CD2-SD 3.94Å; P130-M133 PolarHBondContact O-N 2.98Å; Q131-M133 VanDerWaalsContact C-N 3.26Å; Q131-M133 PolarHBondContact O-N 2.79Å
134E71Confident80.9Confident163 Ų16361.4 Ų61.476%0.76231%0.314SS*.Hα-helixtrans-72.7-45.3176.8-72.6-176.3179.500112.2P130 Q131 N136P130-E134 PolarHBondContact O-N 2.98Å; Q131-E134 PolarHBondContact O-N 3.15Å; E134-N136 VanDerWaalsContact C-N 3.27Å; E134-N136 PolarHBondContact O-N 3.18Å
135D74.2Confident79.6Confident124 Ų12465.1 Ų65.166%0.66334%0.34SS*.THydrogen-bonded Turntrans-82.7-7.3179.5-67.8-29.2000112.7Q131 N137Q131-D135 VanDerWaalsContact O-CB 3.27Å; Q131-D135 WeakPolarHBondContact O-CB 3.44Å; Q131-D135 PolarHBondContact O-N 2.9Å; D135-N137 PolarHBondContact O-N 3.26Å
136N78.7Confident78.7Confident53 Ų5371.8 Ų71.828%0.28337%0.371SS..THydrogen-bonded Turntrans52.242.1-179.5-17856000112.3N91 Q132 E134N91-N136 PolarHBondContact N-OD1 2.96Å; N91-N136 PolarHBondContact O-ND2 2.9Å; Q132-N136 VanDerWaalsContact O-CA 3.23Å; Q132-N136 WeakPolarHBondContact O-CA 3.46Å; Q132-N136 PolarHBondContact O-N 2.65Å; E134-N136 VanDerWaalsContact C-N 3.27Å; E134-N136 PolarHBondContact O-N 3.18Å
137N80.8Confident78.2Confident108 Ų10872.2 Ų72.258%0.57838%0.376SS*.  trans-111.7109.6-178.2-170.225000109.9Q132 D135Q132-N137 PolarHBondContact O-N 3Å; Q132-N137 VanDerWaalsContact O-N 3.12Å; D135-N137 PolarHBondContact O-N 3.26Å
138P82.9Confident78.4Confident27 Ų2772.8 Ų72.818%0.17538%0.376CS..  trans-64145176.724.5-30.7000110.7N123 F124 F125 L140 S141N123-P138 HydrophobicContact CB-CB 4.21Å; F124-P138 WeakPolarHBondContact O-CA 3.38Å; F124-P138 VanDerWaalsContact O-CB 3.31Å; F124-P138 WeakPolarHBondContact O-CB 3.46Å; F125-P138 HydrophobicContact CD2-CB 3.99Å; F125-P138 HydrophobicContact CE1-CB 4.37Å; F125-P138 HydrophobicContact CE2-CB 3.54Å; F125-P138 HydrophobicContact CE2-CG 4.23Å; F125-P138 HydrophobicContact CZ-CB 3.77Å; F125-P138 HydrophobicContact CZ-CG 4.16Å; P138-L140 VanDerWaalsContact C-N 3.29Å; P138-S141 WeakPolarHBondContact CG-OG 3.42Å
139Y84.4Confident78.8Confident89 Ų8965.1 Ų65.135%0.34935%0.348SS..SBendtrans-72.8-28.3173.879.8-97.5000111.8I107 F124 D126I107-Y139 HydrophobicContact CG2-CE1 3.96Å; F124-Y139 HydrophobicContact CB-CD1 4.05Å; F124-Y139 HydrophobicContact CB-CE1 3.31Å; F124-Y139 HydrophobicContact CB-CE2 4.2Å; F124-Y139 WeakPolarHBondContact CB-OH 3.44Å; F124-Y139 VanDerWaalsContact O-CD1 3.25Å; F124-Y139 WeakPolarHBondContact O-CD1 3.36Å; F124-Y139 PolarHBondContact O-N 2.63Å; F124-Y139 VanDerWaalsContact O-N 3.08Å; D126-Y139 HydrophobicContact CB-CD1 4.25Å
140L86.4Confident79.3Confident32 Ų3262.9 Ų62.917%0.16834%0.336CS..EExtended strand (participates in β ladder)trans-141.6130.5176.7-179.567000110.2F124 P138 V142 A175F124-L140 HydrophobicContact CB-CB 4.25Å; F124-L140 HydrophobicContact CD2-CB 4.02Å; F124-L140 HydrophobicContact CD2-CD2 3.81Å; F124-L140 HydrophobicContact CD2-CG 3.96Å; F124-L140 HydrophobicContact CE2-CD2 4.04Å; F124-L140 HydrophobicContact CE2-CG 4.48Å; F124-L140 PolarHBondContact N-O 3.45Å; P138-L140 VanDerWaalsContact C-N 3.29Å; L140-V142 HydrophobicContact CD2-CG2 4.27Å; L140-V142 HydrophobicContact CG-CG2 4.16Å; L140-A175 WeakPolarHBondContact CD2-O 3.04Å
141S86.5Confident80.2Confident50 Ų5059.5 Ų59.535%0.3531%0.314SS..EExtended strand (participates in β ladder)trans-127.2117.1173.1-70.50000109.6L122 N123 P138 P143L122-S141 WeakPolarHBondContact O-CA 3.42Å; N123-S141 WeakPolarHBondContact OD1-CB 3.46Å; N123-S141 PolarHBondContact OD1-OG 3.21Å; P138-S141 WeakPolarHBondContact CG-OG 3.42Å; S141-P143 WeakPolarHBondContact O-CD 3.29Å
142V87.3Confident81Confident10 Ų1053.8 Ų53.86%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-99.6112.6179.8-174.30000109.4F121 L122 F124 L140 C144 F173 G178F121-V142 WeakPolarHBondContact CA-O 3.47Å; L122-V142 HydrophobicContact CB-CB 4.22Å; L122-V142 PolarHBondContact N-O 3.17Å; L122-V142 PolarHBondContact O-N 3.48Å; F124-V142 HydrophobicContact CE2-CG2 4Å; L140-V142 HydrophobicContact CD2-CG2 4.27Å; L140-V142 HydrophobicContact CG-CG2 4.16Å; V142-C144 PolarHBondContact O-N 2.64Å; V142-F173 HydrophobicContact CG1-CD1 3.89Å; V142-F173 HydrophobicContact CG1-CE1 3.97Å; V142-G178 WeakPolarHBondContact CG1-O 3Å
143P83.4Confident81.9Confident76 Ų7653 Ų5349%0.49429%0.286SS..EExtended strand (participates in β ladder)trans-71.9119.8176.927.3-31.6000110.8F121 S141F121-P143 HydrophobicContact CD1-CB 4.04Å; F121-P143 HydrophobicContact CE1-CB 3.76Å; S141-P143 WeakPolarHBondContact O-CD 3.29Å
144C79.1Confident82.9Confident9 Ų952.6 Ų52.66%0.06128%0.284CS..EExtended strand (participates in β ladder)trans-103.179.3172.1-70.70000109.3C120 V142 I149C120-C144 HydrophobicContact CB-CB 4.39Å; C120-C144 PolarHBondContact O-N 3.3Å; V142-C144 PolarHBondContact O-N 2.64Å; C144-I149 HydrophobicContact CB-CD1 4.22Å; C144-I149 HydrophobicContact CB-CG1 4.38Å; C144-I149 VanDerWaalsContact SG-CD1 3.55Å
145S63.2Low83.8Confident77 Ų7745 Ų4554%0.53825%0.249SC..  trans-76.5-34.4-172.157.90000113.7
146E69.8Low84.4Confident144 Ų14440.2 Ų40.267%0.67322%0.224SC*.SBendtrans-69.9-51.7-173.7-62.9-167.6161.100112.2K183E146-K183 IonicContact OE2-NZ 3.38Å; E146-K183 PolarHBondContact OE2-NZ 3.38Å
147C77.8Confident84.7Confident34 Ų3443.7 Ų43.723%0.2324%0.243CC..SBendtrans-145140.8-174.9-77.50000111.1H165 N167C147-H165 HydrophobicContact CB-CB 4.19Å; C147-H165 PolarHBondContact O-ND1 2.88Å; C147-N167 VanDerWaalsContact SG-CG 3.57Å; C147-N167 PolarHBondContact SG-ND2 3.43Å
148K86Confident84.8Confident48 Ų4839.2 Ų39.221%0.20922%0.221CC..  trans-68.3141.6179.676.6-172.3-165.9-142.70110.6K114 H165 E166K114-K148 HydrophobicContact CB-CB 3.98Å; K148-H165 WeakPolarHBondContact O-CA 3.47Å; K148-E166 WeakPolarHBondContact CD-OE2 3.24Å; K148-E166 WeakPolarHBondContact CE-OE1 3.41Å; K148-E166 WeakPolarHBondContact CE-OE2 3.48Å; K148-E166 HydrophobicContact CG-CB 3.88Å; K148-E166 WeakPolarHBondContact CG-OE2 3.26Å; K148-E166 IonicContact NZ-OE1 3.33Å; K148-E166 PolarHBondContact NZ-OE1 3.02Å; K148-E166 IonicContact NZ-OE2 3.33Å; K148-E166 PolarHBondContact NZ-OE2 2.95Å; K148-E166 PolarHBondContact O-N 3.38Å
149I89.3Confident85Confident0 Ų042.9 Ų42.90%024%0.236CC..EExtended strand (participates in β ladder)trans-79132.7171.9-64.9171.4000108.2C120 L122 C144 S151 A152 A163 G164C120-I149 PolarHBondContact SG-N 3.31Å; L122-I149 HydrophobicContact CB-CD1 4.19Å; L122-I149 HydrophobicContact CD1-CD1 4.25Å; C144-I149 HydrophobicContact CB-CD1 4.22Å; C144-I149 HydrophobicContact CB-CG1 4.38Å; C144-I149 VanDerWaalsContact SG-CD1 3.55Å; I149-S151 WeakPolarHBondContact CG2-O 3.41Å; I149-A152 HydrophobicContact CG2-CB 4.17Å; I149-A163 HydrophobicContact CD1-CB 3.97Å; I149-A163 HydrophobicContact CG1-CB 4.11Å; I149-A163 HydrophobicContact CG2-CB 4.01Å; I149-G164 WeakPolarHBondContact CA-O 3.31Å
150T90.6Very high85.4Confident10 Ų1039.1 Ų39.16%0.06122%0.222CC..EExtended strand (participates in β ladder)trans-106.9-38.8178.546.90000112.1T98 G164 E166 I191T98-T150 WeakPolarHBondContact CG2-O 3.35Å; T150-G164 PolarHBondContact N-O 2.55Å; T150-G164 PolarHBondContact OG1-O 3.45Å; T150-G164 VanDerWaalsContact OG1-O 3.11Å; T150-E166 HydrophobicContact CG2-CB 4.17Å; T150-I191 WeakPolarHBondContact CB-O 3.48Å; T150-I191 PolarHBondContact OG1-O 3.4Å
151S91.6Very high85.7Confident10 Ų1037.6 Ų37.67%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-138.1147.4175.2-170.10000109.9I149 A163 G164 I194I149-S151 WeakPolarHBondContact CG2-O 3.41Å; S151-A163 WeakPolarHBondContact O-CA 3.12Å; S151-G164 PolarHBondContact O-N 2.66Å; S151-I194 PolarHBondContact OG-N 3.21Å
152A93Very high86Confident9 Ų935.3 Ų35.37%0.07420%0.198CC..EExtended strand (participates in β ladder)trans-148.8141.7174.700000110.4M109 L122 I149 V161 I162 A163M109-A152 HydrophobicContact CE-CB 3.73Å; M109-A152 HydrophobicContact SD-CB 4.31Å; L122-A152 HydrophobicContact CD1-CB 4.48Å; I149-A152 HydrophobicContact CG2-CB 4.17Å; A152-V161 HydrophobicContact CB-CG1 4.11Å; A152-I162 CarbonylContact C-O 3.49Å; A152-I162 VanDerWaalsContact CA-O 3.29Å; A152-I162 WeakPolarHBondContact CA-O 3.21Å; A152-A163 HydrophobicContact CB-CB 4.14Å
153V93.3Very high86.3Confident17 Ų1734.9 Ų34.910%0.10320%0.195CC..EExtended strand (participates in β ladder)trans-137.1148.6-179.969.40000110.3V161 I162 I194 S196 V203V153-V161 WeakPolarHBondContact O-CA 3.15Å; V153-V161 WeakPolarHBondContact O-CG1 3.4Å; V153-I162 HydrophobicContact CG1-CB 4.11Å; V153-I162 PolarHBondContact N-O 3.35Å; V153-I162 PolarHBondContact O-N 3.18Å; V153-I194 HydrophobicContact CB-CG2 4.39Å; V153-I194 HydrophobicContact CG1-CG2 3.58Å; V153-S196 WeakPolarHBondContact CG2-OG 3.28Å; V153-V203 HydrophobicContact CG1-CG2 4.11Å
154W92.6Very high86.7Confident15 Ų1531.2 Ų31.26%0.05717%0.171CC..EExtended strand (participates in β ladder)trans-71.1137.7172.3-71.9100.5000111.4G100 F101 D102 I107 M109 F124 V161 A175G100-W154 PolarHBondContact O-NE1 2.87Å; F101-W154 VanDerWaalsContact C-CD1 3.43Å; F101-W154 VanDerWaalsContact C-NE1 3.35Å; F101-W154 PolarHBondContact O-NE1 2.77Å; D102-W154 HydrophobicContact CB-CD2 4.44Å; D102-W154 HydrophobicContact CB-CH2 4.38Å; D102-W154 HydrophobicContact CB-CZ2 4.14Å; I107-W154 HydrophobicContact CG2-CH2 3.78Å; I107-W154 HydrophobicContact CG2-CZ2 3.86Å; M109-W154 HydrophobicContact CB-CZ2 3.52Å; F124-W154 AromaticContact CD1-CH2 3.54Å; F124-W154 HydrophobicContact CD1-CH2 3.54Å; F124-W154 AromaticContact CD1-CZ2 3.82Å; F124-W154 HydrophobicContact CD1-CZ2 3.82Å; F124-W154 AromaticContact CE1-CH2 3.42Å; F124-W154 HydrophobicContact CE1-CH2 3.42Å; F124-W154 VanDerWaalsContact CE1-CH2 3.42Å; F124-W154 AromaticContact CE1-CZ2 3.8Å; F124-W154 HydrophobicContact CE1-CZ2 3.8Å; F124-W154 HydrophobicContact CE1-CZ3 4.07Å; W154-V161 HydrophobicContact CD2-CG2 3.93Å; W154-V161 HydrophobicContact CE3-CG2 3.59Å; W154-V161 HydrophobicContact CH2-CG2 4.26Å; W154-V161 HydrophobicContact CZ3-CG2 3.78Å; W154-A175 HydrophobicContact CH2-CB 4.25Å; W154-A175 HydrophobicContact CZ3-CB 3.66Å
155G89Confident87.4Confident3 Ų331 Ų313%0.03117%0.17CC..  trans-79.6-179.8168.300000112.4L157 G158 F160G155-L157 PolarHBondContact O-N 2.93Å; G155-G158 PolarHBondContact O-N 3.49Å; G155-F160 WeakPolarHBondContact CA-O 3.13Å; G155-F160 PolarHBondContact N-O 3.17Å
156P87.3Confident88.7Confident23 Ų2331.3 Ų31.315%0.14916%0.162CC..G310 helixtrans-48.4136.7173.5-27.834.4000113.1G158 E159 F160 L200 S217P156-G158 PolarHBondContact O-N 2.9Å; P156-E159 PolarHBondContact O-N 2.75Å; P156-F160 VanDerWaalsContact CD-CZ 3.44Å; P156-F160 HydrophobicContact CG-CZ 4.31Å; P156-L200 HydrophobicContact CB-CB 4.41Å; P156-L200 WeakPolarHBondContact CD-O 3.49Å; P156-L200 HydrophobicContact CG-CB 4.01Å; P156-L200 WeakPolarHBondContact CG-O 3.33Å; P156-S217 WeakPolarHBondContact CG-OG 3.41Å
157L83.9Confident89.6Confident127 Ų12726.3 Ų26.367%0.66514%0.14SC*.G310 helixtrans58.411.5171.7-53173.2000115.5G155 E159G155-L157 PolarHBondContact O-N 2.93Å; L157-E159 HydrophobicContact CB-CG 4.25Å; L157-E159 PolarHBondContact O-N 2.71Å
158G83.7Confident90.2Very high13 Ų1324.7 Ų24.713%0.13413%0.129CC..G310 helixtrans73.211.5-179.100000115.2D102 G155 P156 A175D102-G158 WeakPolarHBondContact OD1-CA 3.39Å; G155-G158 PolarHBondContact O-N 3.49Å; P156-G158 PolarHBondContact O-N 2.9Å; G158-A175 WeakPolarHBondContact O-CB 3.34Å
159E87.5Confident90.5Very high104 Ų10423.3 Ų23.349%0.48612%0.124SC..SBendtrans-75.7-29.2-175.1-65.3-160.5137.900112.8P156 L157 A175P156-E159 PolarHBondContact O-N 2.75Å; L157-E159 HydrophobicContact CB-CG 4.25Å; L157-E159 PolarHBondContact O-N 2.71Å; E159-A175 WeakPolarHBondContact O-CB 3.36Å; E159-A175 PolarHBondContact O-N 2.86Å
160F91.3Very high90.7Very high11 Ų1123.3 Ų23.35%0.04812%0.124CC..EExtended strand (participates in β ladder)trans-146.8164.1-17960.7-97.6000111.9G155 P156 I162 Q172 F173 L181 S217G155-F160 WeakPolarHBondContact CA-O 3.13Å; G155-F160 PolarHBondContact N-O 3.17Å; P156-F160 VanDerWaalsContact CD-CZ 3.44Å; P156-F160 HydrophobicContact CG-CZ 4.31Å; F160-I162 HydrophobicContact CD2-CG1 4.06Å; F160-I162 HydrophobicContact CE2-CD1 4.06Å; F160-I162 HydrophobicContact CE2-CG1 3.9Å; F160-Q172 HydrophobicContact CB-CG 3.96Å; F160-Q172 VanDerWaalsContact CD1-NE2 3.27Å; F160-Q172 HydrophobicContact CD2-CG 3.46Å; F160-Q172 VanDerWaalsContact CD2-CG 3.46Å; F160-Q172 VanDerWaalsContact CE1-NE2 3.3Å; F160-Q172 HydrophobicContact CE2-CG 4.03Å; F160-Q172 HydrophobicContact CG-CG 3.83Å; F160-F173 CarbonylContact C-O 3.43Å; F160-F173 WeakPolarHBondContact CA-O 3.5Å; F160-F173 WeakPolarHBondContact CB-O 3.48Å; F160-L181 HydrophobicContact CB-CD1 4.19Å; F160-S217 VanDerWaalsContact CE2-O 3.31Å; F160-S217 WeakPolarHBondContact CE2-O 3.44Å; F160-S217 VanDerWaalsContact CZ-O 3.3Å; F160-S217 WeakPolarHBondContact CZ-O 3.42Å
161V92.8Very high90.8Very high0 Ų023.1 Ų23.10%012%0.122CC..EExtended strand (participates in β ladder)trans-118.2137.9175.1171.70000108.7M109 L122 F124 A152 V153 W154 Q172 F173M109-V161 HydrophobicContact CE-CG1 3.92Å; M109-V161 HydrophobicContact CE-CG2 4.48Å; M109-V161 HydrophobicContact SD-CB 3.96Å; M109-V161 HydrophobicContact SD-CG1 3.29Å; M109-V161 WeakPolarHBondContact SD-CG1 3.39Å; M109-V161 HydrophobicContact SD-CG2 3.43Å; M109-V161 WeakPolarHBondContact SD-CG2 3.35Å; L122-V161 HydrophobicContact CD2-CB 4.37Å; L122-V161 HydrophobicContact CD2-CG1 4.02Å; F124-V161 HydrophobicContact CE1-CG2 3.68Å; F124-V161 HydrophobicContact CZ-CG2 3.82Å; A152-V161 HydrophobicContact CB-CG1 4.11Å; V153-V161 WeakPolarHBondContact O-CA 3.15Å; V153-V161 WeakPolarHBondContact O-CG1 3.4Å; W154-V161 HydrophobicContact CD2-CG2 3.93Å; W154-V161 HydrophobicContact CE3-CG2 3.59Å; W154-V161 HydrophobicContact CH2-CG2 4.26Å; W154-V161 HydrophobicContact CZ3-CG2 3.78Å; V161-Q172 CarbonylContact O-C 3.58Å; V161-Q172 WeakPolarHBondContact O-CA 3.47Å; V161-F173 PolarHBondContact N-O 2.83Å; V161-F173 PolarHBondContact O-N 3.33Å
162I93.8Very high90.8Very high2 Ų223 Ų231%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-100.4120.4170-54.7178.2000107.7A152 V153 F160 I170 N171 V203 L220A152-I162 CarbonylContact C-O 3.49Å; A152-I162 VanDerWaalsContact CA-O 3.29Å; A152-I162 WeakPolarHBondContact CA-O 3.21Å; V153-I162 HydrophobicContact CG1-CB 4.11Å; V153-I162 PolarHBondContact N-O 3.35Å; V153-I162 PolarHBondContact O-N 3.18Å; F160-I162 HydrophobicContact CD2-CG1 4.06Å; F160-I162 HydrophobicContact CE2-CD1 4.06Å; F160-I162 HydrophobicContact CE2-CG1 3.9Å; I162-I170 HydrophobicContact CG2-CG2 3.49Å; I162-I170 VanDerWaalsContact CG2-CG2 3.49Å; I162-N171 CarbonylContact C-O 3.51Å; I162-N171 WeakPolarHBondContact CA-O 3.13Å; I162-V203 HydrophobicContact CD1-CB 4.29Å; I162-V203 HydrophobicContact CD1-CG1 3.95Å; I162-L220 HydrophobicContact CD1-CD2 4.3Å; I162-L220 HydrophobicContact CG2-CD2 4.2Å
163A92.8Very high90.7Very high0 Ų022.8 Ų22.80%012%0.118CC..EExtended strand (participates in β ladder)trans-115.7138.3176.900000111.3I149 S151 A152 I170 N171 F173I149-A163 HydrophobicContact CD1-CB 3.97Å; I149-A163 HydrophobicContact CG1-CB 4.11Å; I149-A163 HydrophobicContact CG2-CB 4.01Å; S151-A163 WeakPolarHBondContact O-CA 3.12Å; A152-A163 HydrophobicContact CB-CB 4.14Å; A163-I170 WeakPolarHBondContact O-CA 3.37Å; A163-N171 PolarHBondContact N-O 2.82Å; A163-N171 PolarHBondContact O-N 3.33Å; A163-F173 HydrophobicContact CB-CD2 4.05Å; A163-F173 HydrophobicContact CB-CE2 3.72Å
164G93.3Very high90.6Very high0 Ų022.7 Ų22.70%012%0.118CC..EExtended strand (participates in β ladder)trans-98.7138.2172.400000110.3I149 T150 S151I149-G164 WeakPolarHBondContact CA-O 3.31Å; T150-G164 PolarHBondContact N-O 2.55Å; T150-G164 PolarHBondContact OG1-O 3.45Å; T150-G164 VanDerWaalsContact OG1-O 3.11Å; S151-G164 PolarHBondContact O-N 2.66Å
165H92.3Very high90.2Very high5 Ų522.2 Ų22.22%0.02312%0.118CC..EExtended strand (participates in β ladder)trans-109.6159.4-177.4-65.2-87.6000112C147 K148 N167 G168 E169 N171 I191C147-H165 HydrophobicContact CB-CB 4.19Å; C147-H165 PolarHBondContact O-ND1 2.88Å; K148-H165 WeakPolarHBondContact O-CA 3.47Å; H165-N167 WeakPolarHBondContact CB-OD1 3.25Å; H165-N167 PolarHBondContact O-N 2.97Å; H165-G168 PolarHBondContact O-N 3.37Å; H165-G168 VanDerWaalsContact O-N 3.16Å; H165-E169 HydrophobicContact CB-CB 4.38Å; H165-E169 WeakPolarHBondContact CB-O 3.46Å; H165-E169 PolarHBondContact CD2-O 2.9Å; H165-E169 PolarHBondContact N-O 3.46Å; H165-N171 PolarHBondContact CD2-ND2 2.76Å; H165-N171 VanDerWaalsContact CD2-ND2 3.31Å; H165-N171 PolarHBondContact NE2-ND2 3.5Å; H165-I191 PolarHBondContact O-N 2.84Å
166E90.6Very high89.9Confident82 Ų8229.9 Ų29.938%0.38315%0.15SC..THydrogen-bonded Turntrans-62-25.4175.3-179.8174.2-148.800113.4K148 T150 G168 Q190K148-E166 WeakPolarHBondContact CD-OE2 3.24Å; K148-E166 WeakPolarHBondContact CE-OE1 3.41Å; K148-E166 WeakPolarHBondContact CE-OE2 3.48Å; K148-E166 HydrophobicContact CG-CB 3.88Å; K148-E166 WeakPolarHBondContact CG-OE2 3.26Å; K148-E166 IonicContact NZ-OE1 3.33Å; K148-E166 PolarHBondContact NZ-OE1 3.02Å; K148-E166 IonicContact NZ-OE2 3.33Å; K148-E166 PolarHBondContact NZ-OE2 2.95Å; K148-E166 PolarHBondContact O-N 3.38Å; T150-E166 HydrophobicContact CG2-CB 4.17Å; E166-G168 VanDerWaalsContact C-N 3.29Å; E166-G168 PolarHBondContact O-N 2.78Å; E166-Q190 HydrophobicContact CB-CB 4.41Å; E166-Q190 HydrophobicContact CG-CB 4.08Å; E166-Q190 WeakPolarHBondContact O-CA 3.42Å; E166-Q190 WeakPolarHBondContact O-CB 3.17Å; E166-Q190 PolarHBondContact O-N 3.37Å; E166-Q190 VanDerWaalsContact O-N 3.16Å
167N89.7Confident89.7Confident39 Ų3931.5 Ų31.521%0.20916%0.162CC..THydrogen-bonded Turntrans-83.9-0.6179.368-4.5000113.9C147 H165 E169C147-N167 VanDerWaalsContact SG-CG 3.57Å; C147-N167 PolarHBondContact SG-ND2 3.43Å; H165-N167 WeakPolarHBondContact CB-OD1 3.25Å; H165-N167 PolarHBondContact O-N 2.97Å; N167-E169 WeakPolarHBondContact ND2-CG 3.47Å; N167-E169 PolarHBondContact ND2-OE1 3.37Å; N167-E169 PolarHBondContact ND2-OE2 3.49Å; N167-E169 VanDerWaalsContact OD1-CB 3.23Å; N167-E169 WeakPolarHBondContact OD1-CB 3.3Å; N167-E169 WeakPolarHBondContact OD1-CG 3.09Å; N167-E169 PolarHBondContact OD1-N 2.86Å
168G88.9Confident89.6Confident0 Ų025.9 Ų25.90%013%0.134CC..SBendtrans86.27.9-17700000115.2H165 E166 H187 R189H165-G168 PolarHBondContact O-N 3.37Å; H165-G168 VanDerWaalsContact O-N 3.16Å; E166-G168 VanDerWaalsContact C-N 3.29Å; E166-G168 PolarHBondContact O-N 2.78Å; G168-H187 PolarHBondContact O-N 3.45Å; G168-R189 VanDerWaalsContact CA-O 3.22Å; G168-R189 WeakPolarHBondContact CA-O 3.41Å
169E92.8Very high89.8Confident20 Ų2031.5 Ų31.59%0.09316%0.157CC..EExtended strand (participates in β ladder)trans-81.7146.5172.2-65.2173.5170.500111.2H165 N167 K183 A184 K185 I191H165-E169 HydrophobicContact CB-CB 4.38Å; H165-E169 WeakPolarHBondContact CB-O 3.46Å; H165-E169 PolarHBondContact CD2-O 2.9Å; H165-E169 PolarHBondContact N-O 3.46Å; N167-E169 WeakPolarHBondContact ND2-CG 3.47Å; N167-E169 PolarHBondContact ND2-OE1 3.37Å; N167-E169 PolarHBondContact ND2-OE2 3.49Å; N167-E169 VanDerWaalsContact OD1-CB 3.23Å; N167-E169 WeakPolarHBondContact OD1-CB 3.3Å; N167-E169 WeakPolarHBondContact OD1-CG 3.09Å; N167-E169 PolarHBondContact OD1-N 2.86Å; E169-K183 WeakPolarHBondContact OE1-CE 3.37Å; E169-K183 IonicContact OE1-NZ 3.94Å; E169-K183 PolarHBondContact OE1-NZ 2.74Å; E169-K183 WeakPolarHBondContact OE2-CE 3.23Å; E169-K183 IonicContact OE2-NZ 3.71Å; E169-K183 PolarHBondContact OE2-NZ 2.89Å; E169-A184 CarbonylContact C-O 3.59Å; E169-A184 WeakPolarHBondContact CA-O 2.92Å; E169-K185 HydrophobicContact CG-CB 3.89Å; E169-K185 HydrophobicContact CG-CD 3.92Å; E169-K185 HydrophobicContact CG-CG 3.72Å; E169-K185 IonicContact OE1-NZ 3.17Å; E169-I191 WeakPolarHBondContact O-CD1 3.39Å
170I93.4Very high89.9Confident0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-117.6120.6173.1-56.1163.7000106.4I162 A163 A184 I191 T205 F215 L220I162-I170 HydrophobicContact CG2-CG2 3.49Å; I162-I170 VanDerWaalsContact CG2-CG2 3.49Å; A163-I170 WeakPolarHBondContact O-CA 3.37Å; I170-A184 PolarHBondContact N-O 3.01Å; I170-A184 PolarHBondContact O-N 3.24Å; I170-I191 HydrophobicContact CD1-CD1 4.36Å; I170-I191 HydrophobicContact CG1-CD1 3.52Å; I170-T205 HydrophobicContact CD1-CG2 3.71Å; I170-T205 HydrophobicContact CG1-CG2 4.39Å; I170-F215 HydrophobicContact CD1-CD2 3.92Å; I170-F215 HydrophobicContact CD1-CE1 4.01Å; I170-F215 HydrophobicContact CD1-CE2 3.33Å; I170-F215 HydrophobicContact CD1-CG 4.47Å; I170-F215 HydrophobicContact CD1-CZ 3.39Å; I170-L220 HydrophobicContact CG2-CD1 4.36Å; I170-L220 HydrophobicContact CG2-CD2 3.85Å
171N92.6Very high89.7Confident6 Ų634.9 Ų34.93%0.03218%0.177CC..EExtended strand (participates in β ladder)trans-118.3140.7-178-68.9-21.8000110.2I162 A163 H165 F173 K182 K183I162-N171 CarbonylContact C-O 3.51Å; I162-N171 WeakPolarHBondContact CA-O 3.13Å; A163-N171 PolarHBondContact N-O 2.82Å; A163-N171 PolarHBondContact O-N 3.33Å; H165-N171 PolarHBondContact CD2-ND2 2.76Å; H165-N171 VanDerWaalsContact CD2-ND2 3.31Å; H165-N171 PolarHBondContact NE2-ND2 3.5Å; N171-F173 HydrophobicContact CB-CD2 4.31Å; N171-F173 HydrophobicContact CB-CE2 3.57Å; N171-F173 HydrophobicContact CB-CZ 3.91Å; N171-K182 WeakPolarHBondContact CA-O 3.39Å; N171-K183 WeakPolarHBondContact OD1-CB 3.34Å; N171-K183 WeakPolarHBondContact OD1-CD 3.1Å; N171-K183 WeakPolarHBondContact OD1-CG 3.49Å
172Q92.6Very high89.6Confident7 Ų739 Ų393%0.03320%0.195CC..EExtended strand (participates in β ladder)trans-103.8120.9173-168.5179.9100108.9F160 V161 I180 L181 K182 L220F160-Q172 HydrophobicContact CB-CG 3.96Å; F160-Q172 VanDerWaalsContact CD1-NE2 3.27Å; F160-Q172 HydrophobicContact CD2-CG 3.46Å; F160-Q172 VanDerWaalsContact CD2-CG 3.46Å; F160-Q172 VanDerWaalsContact CE1-NE2 3.3Å; F160-Q172 HydrophobicContact CE2-CG 4.03Å; F160-Q172 HydrophobicContact CG-CG 3.83Å; V161-Q172 CarbonylContact O-C 3.58Å; V161-Q172 WeakPolarHBondContact O-CA 3.47Å; Q172-I180 CarbonylContact O-C 3.56Å; Q172-I180 WeakPolarHBondContact O-CA 3.37Å; Q172-L181 HydrophobicContact CB-CB 4.43Å; Q172-L181 HydrophobicContact CG-CB 4.4Å; Q172-L181 HydrophobicContact CG-CD1 4.35Å; Q172-L181 PolarHBondContact O-N 3.24Å; Q172-K182 HydrophobicContact CB-CB 4.11Å; Q172-K182 PolarHBondContact N-O 3.19Å; Q172-L220 HydrophobicContact CB-CD1 3.78Å
173F91.1Very high89.5Confident4 Ų443.5 Ų43.52%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-107.4130.9179-64.9-87.7000110.1L122 V142 F160 V161 A163 N171 A175 E179 I180L122-F173 HydrophobicContact CD2-CD2 4.46Å; V142-F173 HydrophobicContact CG1-CD1 3.89Å; V142-F173 HydrophobicContact CG1-CE1 3.97Å; F160-F173 CarbonylContact C-O 3.43Å; F160-F173 WeakPolarHBondContact CA-O 3.5Å; F160-F173 WeakPolarHBondContact CB-O 3.48Å; V161-F173 PolarHBondContact N-O 2.83Å; V161-F173 PolarHBondContact O-N 3.33Å; A163-F173 HydrophobicContact CB-CD2 4.05Å; A163-F173 HydrophobicContact CB-CE2 3.72Å; N171-F173 HydrophobicContact CB-CD2 4.31Å; N171-F173 HydrophobicContact CB-CE2 3.57Å; N171-F173 HydrophobicContact CB-CZ 3.91Å; F173-A175 PolarHBondContact O-N 3.44Å; F173-E179 WeakPolarHBondContact CA-O 3.35Å; F173-I180 HydrophobicContact CD1-CG1 3.76Å; F173-I180 HydrophobicContact CE1-CD1 4Å; F173-I180 HydrophobicContact CE1-CG1 3.34Å; F173-I180 HydrophobicContact CZ-CD1 4.42Å; F173-I180 HydrophobicContact CZ-CG1 4.03Å
174S89.7Confident89.4Confident16 Ų1644.3 Ų44.311%0.11222%0.222CC..EExtended strand (participates in β ladder)trans-64.6126.1168.91720000109.8K176 S177 G178 E179S174-K176 PolarHBondContact O-N 2.82Å; S174-K176 PolarHBondContact OG-N 3.1Å; S174-S177 VanDerWaalsContact CB-OG 3.28Å; S174-S177 WeakPolarHBondContact CB-OG 3.22Å; S174-S177 PolarHBondContact OG-N 2.88Å; S174-S177 PolarHBondContact OG-OG 3.36Å; S174-S177 VanDerWaalsContact OG-OG 3.09Å; S174-G178 WeakPolarHBondContact O-CA 3.48Å; S174-G178 PolarHBondContact O-N 2.82Å; S174-E179 PolarHBondContact N-O 2.92Å
175A84.8Confident89.3Confident5 Ų550.4 Ų50.44%0.04125%0.248CC..THydrogen-bonded Turntrans-69.3-20.9178.500000112.6L140 W154 G158 E159 F173L140-A175 WeakPolarHBondContact CD2-O 3.04Å; W154-A175 HydrophobicContact CH2-CB 4.25Å; W154-A175 HydrophobicContact CZ3-CB 3.66Å; G158-A175 WeakPolarHBondContact O-CB 3.34Å; E159-A175 WeakPolarHBondContact O-CB 3.36Å; E159-A175 PolarHBondContact O-N 2.86Å; F173-A175 PolarHBondContact O-N 3.44Å
176K83.8Confident89.1Confident164 Ų16454.2 Ų54.271%0.71327%0.266SS*.THydrogen-bonded Turntrans-86.4-45.1-178.5-65177.1-176.3165.10112.8S174S174-K176 PolarHBondContact O-N 2.82Å; S174-K176 PolarHBondContact OG-N 3.1Å
177S82.6Confident89.2Confident57 Ų5750.5 Ų50.540%0.39925%0.248SC..THydrogen-bonded Turntrans-103.9-20.1-175.1590000113.3S174 E179S174-S177 VanDerWaalsContact CB-OG 3.28Å; S174-S177 WeakPolarHBondContact CB-OG 3.22Å; S174-S177 PolarHBondContact OG-N 2.88Å; S174-S177 PolarHBondContact OG-OG 3.36Å; S174-S177 VanDerWaalsContact OG-OG 3.09Å; S177-E179 PolarHBondContact O-N 2.92Å; S177-E179 PolarHBondContact OG-N 3.37Å
178G81.6Confident89.3Confident8 Ų854.2 Ų54.28%0.08227%0.273CS..  trans74.73.2-173.100000114.4V142 S174V142-G178 WeakPolarHBondContact CG1-O 3Å; S174-G178 WeakPolarHBondContact O-CA 3.48Å; S174-G178 PolarHBondContact O-N 2.82Å
179E87.8Confident89.5Confident131 Ų13161.4 Ų61.461%0.61230%0.3SS*.  trans-75.4147.9179.8-65.8177.4157.900111.3F173 S174 S177 L181F173-E179 WeakPolarHBondContact CA-O 3.35Å; S174-E179 PolarHBondContact N-O 2.92Å; S177-E179 PolarHBondContact O-N 2.92Å; S177-E179 PolarHBondContact OG-N 3.37Å; E179-L181 PolarHBondContact O-N 3.48Å
180I89.1Confident89.5Confident93 Ų9362.9 Ų62.948%0.47731%0.307SS..EExtended strand (participates in β ladder)trans-74.5112.1172.9-60.8167.1000107.7Q172 F173 K182 K183Q172-I180 CarbonylContact O-C 3.56Å; Q172-I180 WeakPolarHBondContact O-CA 3.37Å; F173-I180 HydrophobicContact CD1-CG1 3.76Å; F173-I180 HydrophobicContact CE1-CD1 4Å; F173-I180 HydrophobicContact CE1-CG1 3.34Å; F173-I180 HydrophobicContact CZ-CD1 4.42Å; F173-I180 HydrophobicContact CZ-CG1 4.03Å; I180-K182 WeakPolarHBondContact CG2-O 3.49Å; I180-K183 HydrophobicContact CG2-CB 4.43Å
181L88.8Confident89.5Confident93 Ų9362.9 Ų62.949%0.48731%0.307SS..EExtended strand (participates in β ladder)trans-76.6-46.2175.7-64.1175.5000110.5F160 Q172 E179F160-L181 HydrophobicContact CB-CD1 4.19Å; Q172-L181 HydrophobicContact CB-CB 4.43Å; Q172-L181 HydrophobicContact CG-CB 4.4Å; Q172-L181 HydrophobicContact CG-CD1 4.35Å; Q172-L181 PolarHBondContact O-N 3.24Å; E179-L181 PolarHBondContact O-N 3.48Å
182K89.3Confident89.6Confident86 Ų8664.6 Ų64.637%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-145.7151.5-174.3-64.1-171.7-175177.20111.2N171 Q172 I180 N218 S219 L220N171-K182 WeakPolarHBondContact CA-O 3.39Å; Q172-K182 HydrophobicContact CB-CB 4.11Å; Q172-K182 PolarHBondContact N-O 3.19Å; I180-K182 WeakPolarHBondContact CG2-O 3.49Å; K182-N218 PolarHBondContact NZ-O 3.04Å; K182-S219 VanDerWaalsContact CD-O 3.3Å; K182-S219 WeakPolarHBondContact CD-O 3.32Å; K182-S219 VanDerWaalsContact NZ-CA 3.31Å; K182-S219 PolarHBondContact NZ-O 3.46Å; K182-L220 HydrophobicContact CB-CD1 3.91Å
183K91.5Very high89.7Confident98 Ų9865 Ų6543%0.42632%0.318SS..EExtended strand (participates in β ladder)trans-141.8126.1-178.8171.9159-174.3169.90109.1E146 E169 N171 I180E146-K183 IonicContact OE2-NZ 3.38Å; E146-K183 PolarHBondContact OE2-NZ 3.38Å; E169-K183 WeakPolarHBondContact OE1-CE 3.37Å; E169-K183 IonicContact OE1-NZ 3.94Å; E169-K183 PolarHBondContact OE1-NZ 2.74Å; E169-K183 WeakPolarHBondContact OE2-CE 3.23Å; E169-K183 IonicContact OE2-NZ 3.71Å; E169-K183 PolarHBondContact OE2-NZ 2.89Å; N171-K183 WeakPolarHBondContact OD1-CB 3.34Å; N171-K183 WeakPolarHBondContact OD1-CD 3.1Å; N171-K183 WeakPolarHBondContact OD1-CG 3.49Å; I180-K183 HydrophobicContact CG2-CB 4.43Å
184A91.2Very high89.9Confident17 Ų1765 Ų6514%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-127.7137.9176.900000109.8E169 I170 E186E169-A184 CarbonylContact C-O 3.59Å; E169-A184 WeakPolarHBondContact CA-O 2.92Å; I170-A184 PolarHBondContact N-O 3.01Å; I170-A184 PolarHBondContact O-N 3.24Å; A184-E186 HydrophobicContact CB-CG 4.49Å
185K90.3Very high90.1Very high128 Ų12865.2 Ų65.256%0.55732%0.318SS*.EExtended strand (participates in β ladder)trans-119.889.1178-171.2173.1-174.4167.30110.4E169E169-K185 HydrophobicContact CG-CB 3.89Å; E169-K185 HydrophobicContact CG-CD 3.92Å; E169-K185 HydrophobicContact CG-CG 3.72Å; E169-K185 IonicContact OE1-NZ 3.17Å
186E90.1Very high90.4Very high84 Ų8466.8 Ų66.839%0.39333%0.329SS..  trans-113.5-21.8-171.6-70-64.6144.500113.5A184 K213 F215A184-E186 HydrophobicContact CB-CG 4.49Å; E186-K213 HydrophobicContact CB-CD 3.99Å; E186-K213 VanDerWaalsContact O-CE 3.32Å; E186-K213 WeakPolarHBondContact O-CE 3.38Å; E186-K213 IonicContact OE2-NZ 3.66Å; E186-F215 HydrophobicContact CB-CE1 4.15Å; E186-F215 HydrophobicContact CB-CZ 3.78Å; E186-F215 HydrophobicContact CG-CE1 3.81Å; E186-F215 HydrophobicContact CG-CZ 3.99Å
187H92.3Very high90.7Very high4 Ų459.5 Ų59.52%0.01930%0.298CS..  trans-99.5151.4174.5-71.8-73.9000111.6G168 I191 T205 S207 D209 T211G168-H187 PolarHBondContact O-N 3.45Å; H187-I191 HydrophobicContact CB-CG1 4.34Å; H187-T205 PolarHBondContact NE2-OG1 3Å; H187-S207 WeakPolarHBondContact ND1-CB 3.3Å; H187-D209 WeakPolarHBondContact CA-OD2 3.42Å; H187-D209 WeakPolarHBondContact CB-OD2 3.05Å; H187-D209 IonicContact CG-OD2 3.5Å; H187-D209 IonicContact ND1-OD1 2.76Å; H187-D209 PolarHBondContact ND1-OD1 3.11Å; H187-D209 IonicContact ND1-OD2 3.64Å; H187-D209 PolarHBondContact ND1-OD2 2.93Å; H187-T211 PolarHBondContact CE1-OG1 3.19Å; H187-T211 PolarHBondContact ND1-OG1 2.57Å; H187-T211 VanDerWaalsContact ND1-OG1 3.12Å
188T91.4Very high90.9Very high117 Ų11760 Ų6072%0.71830%0.299SS*.SBendtrans-96.7-16.6177.760.30000112.8D209T188-D209 PolarHBondContact N-OD2 3.4Å; T188-D209 VanDerWaalsContact OG1-CB 3.26Å; T188-D209 WeakPolarHBondContact OG1-CB 3.48Å; T188-D209 PolarHBondContact OG1-OD2 3.07Å
189R92.3Very high91.1Very high151 Ų15164.4 Ų64.457%0.5732%0.32SS*.SBendtrans-130.2176.2179.1-63.9-174.2176.5-158-3110.5G168 I191 S207 K208 D209G168-R189 VanDerWaalsContact CA-O 3.22Å; G168-R189 WeakPolarHBondContact CA-O 3.41Å; R189-I191 PolarHBondContact O-N 2.95Å; R189-S207 PolarHBondContact O-OG 2.87Å; R189-K208 HydrophobicContact CB-CB 4.33Å; R189-K208 WeakPolarHBondContact CD-O 3.44Å; R189-D209 HydrophobicContact CB-CB 3.96Å; R189-D209 HydrophobicContact CG-CB 3.97Å
190Q93Very high91.1Very high51 Ų5159.1 Ų59.124%0.23830%0.296CS..  trans-55.8134.9179.971-176.7-26.200113E166 S207 K208E166-Q190 HydrophobicContact CB-CB 4.41Å; E166-Q190 HydrophobicContact CG-CB 4.08Å; E166-Q190 WeakPolarHBondContact O-CA 3.42Å; E166-Q190 WeakPolarHBondContact O-CB 3.17Å; E166-Q190 PolarHBondContact O-N 3.37Å; E166-Q190 VanDerWaalsContact O-N 3.16Å; Q190-S207 WeakPolarHBondContact O-CA 3.31Å; Q190-S207 PolarHBondContact O-OG 2.95Å; Q190-S207 VanDerWaalsContact O-OG 3.05Å; Q190-K208 HydrophobicContact CG-CB 4.31Å; Q190-K208 HydrophobicContact CG-CD 4.25Å; Q190-K208 HydrophobicContact CG-CG 3.97Å; Q190-K208 VanDerWaalsContact NE2-CD 3.28Å; Q190-K208 PolarHBondContact O-N 2.93Å
191I94.8Very high91.1Very high0 Ų057 Ų570%029%0.288CS..EExtended strand (participates in β ladder)trans-79.4122.4168.5-61.7161.4000106.9T150 H165 E169 I170 H187 R189 D193 I194 A206T150-I191 WeakPolarHBondContact CB-O 3.48Å; T150-I191 PolarHBondContact OG1-O 3.4Å; H165-I191 PolarHBondContact O-N 2.84Å; E169-I191 WeakPolarHBondContact O-CD1 3.39Å; I170-I191 HydrophobicContact CD1-CD1 4.36Å; I170-I191 HydrophobicContact CG1-CD1 3.52Å; H187-I191 HydrophobicContact CB-CG1 4.34Å; R189-I191 PolarHBondContact O-N 2.95Å; I191-D193 WeakPolarHBondContact CG2-O 3.33Å; I191-I194 HydrophobicContact CG2-CD1 3.99Å; I191-I194 HydrophobicContact CG2-CG1 3.61Å; I191-A206 CarbonylContact C-O 3.6Å; I191-A206 WeakPolarHBondContact CA-O 3.47Å
192N93.2Very high91.3Very high42 Ų4256.2 Ų56.223%0.22528%0.283CS..EExtended strand (participates in β ladder)trans-88.8-37.8-179.5-66.8-44.2000111.7A206 K208 V232 N233N192-A206 PolarHBondContact N-O 2.89Å; N192-K208 WeakPolarHBondContact ND2-CG 3.34Å; N192-V232 PolarHBondContact ND2-O 3.39Å; N192-N233 WeakPolarHBondContact CB-O 3.4Å
193D94.6Very high91.5Very high16 Ų1652.2 Ų52.29%0.08627%0.265CS..EExtended strand (participates in β ladder)trans-146.1149.5-174.4-165.521.7000110.9I191 Q195 A206 N233 S234I191-D193 WeakPolarHBondContact CG2-O 3.33Å; D193-Q195 PolarHBondContact OD2-NE2 2.82Å; D193-A206 HydrophobicContact CB-CB 4.26Å; D193-A206 PolarHBondContact O-N 3.09Å; D193-N233 WeakPolarHBondContact CB-O 3.49Å; D193-S234 WeakPolarHBondContact OD2-CB 3.15Å; D193-S234 PolarHBondContact OD2-OG 2.92Å
194I95Very high91.7Very high4 Ų447.5 Ų47.52%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-139.5125.2177.1-61.1176.5000106.4S151 V153 I191 V203 I204 T205S151-I194 PolarHBondContact OG-N 3.21Å; V153-I194 HydrophobicContact CB-CG2 4.39Å; V153-I194 HydrophobicContact CG1-CG2 3.58Å; I191-I194 HydrophobicContact CG2-CD1 3.99Å; I191-I194 HydrophobicContact CG2-CG1 3.61Å; I194-V203 HydrophobicContact CG2-CG2 3.18Å; I194-I204 WeakPolarHBondContact CA-O 3.48Å; I194-T205 HydrophobicContact CG1-CG2 4.17Å
195Q94.2Very high91.9Very high20 Ų2046.7 Ų46.79%0.09324%0.238CC..EExtended strand (participates in β ladder)trans-130135.7176.2-59.4-167.321.600110D193 V203 I204 S234 A235 A236 V291D193-Q195 PolarHBondContact OD2-NE2 2.82Å; Q195-V203 WeakPolarHBondContact O-CA 3.15Å; Q195-V203 WeakPolarHBondContact O-CG2 3.32Å; Q195-I204 HydrophobicContact CB-CG2 4.09Å; Q195-I204 PolarHBondContact N-O 3.41Å; Q195-I204 WeakPolarHBondContact O-CG2 3.46Å; Q195-I204 PolarHBondContact O-N 3.45Å; Q195-S234 PolarHBondContact NE2-OG 2.77Å; Q195-A235 VanDerWaalsContact CD-O 3.26Å; Q195-A235 WeakPolarHBondContact CG-O 3.37Å; Q195-A236 VanDerWaalsContact OE1-CB 3.25Å; Q195-V291 PolarHBondContact NE2-O 3.24Å
196S92.3Very high92.2Very high39 Ų3940.6 Ų40.627%0.27321%0.212SC..EExtended strand (participates in β ladder)trans-84.2154.4172.349.50000110.9V153 L200 M202V153-S196 WeakPolarHBondContact CG2-OG 3.28Å; S196-L200 VanDerWaalsContact OG-CD2 3.32Å; S196-L200 WeakPolarHBondContact OG-CD2 3.37Å; S196-M202 WeakPolarHBondContact CA-O 3.18Å
197S90.5Very high92.4Very high11 Ų1136.6 Ų36.68%0.07719%0.193CC..  trans-67164.2166.155.90000110.8D199 L200 T201 M202S197-D199 WeakPolarHBondContact CB-OD1 3.42Å; S197-D199 PolarHBondContact O-N 2.86Å; S197-D199 PolarHBondContact OG-OD1 3.36Å; S197-L200 WeakPolarHBondContact O-CA 3.31Å; S197-L200 PolarHBondContact O-N 2.59Å; S197-L200 PolarHBondContact OG-N 2.67Å; S197-T201 PolarHBondContact OG-N 3.23Å; S197-M202 PolarHBondContact N-O 3Å; S197-M202 PolarHBondContact OG-N 3.48Å; S197-M202 PolarHBondContact OG-O 3.44Å; S197-M202 VanDerWaalsContact OG-O 3.11Å
198V86.1Confident92.4Very high67 Ų6738.8 Ų38.841%0.40620%0.202SC..THydrogen-bonded Turntrans-62.4-32.9-177.4176.50000112.5R20 L200 P239R20-V198 PolarHBondContact NH2-O 2.92Å; V198-L200 VanDerWaalsContact C-N 3.32Å; V198-P239 HydrophobicContact CG2-CB 3.78Å; V198-P239 HydrophobicContact CG2-CG 3.89Å
199D84.8Confident92.4Very high101 Ų10134.4 Ų34.454%0.5418%0.175SC..THydrogen-bonded Turntrans-84.6-2.8175.168.5-17.6000113.7S197 T201S197-D199 WeakPolarHBondContact CB-OD1 3.42Å; S197-D199 PolarHBondContact O-N 2.86Å; S197-D199 PolarHBondContact OG-OD1 3.36Å; D199-T201 HydrophobicContact CB-CG2 4.25Å; D199-T201 PolarHBondContact O-N 3.48Å; D199-T201 VanDerWaalsContact O-N 3.13Å; D199-T201 PolarHBondContact OD1-N 3.04Å; D199-T201 PolarHBondContact OD1-OG1 2.82Å; D199-T201 VanDerWaalsContact OD1-OG1 3.13Å; D199-T201 WeakPolarHBondContact OD2-CB 3.49Å; D199-T201 WeakPolarHBondContact OD2-CG2 3.48Å; D199-T201 PolarHBondContact OD2-OG1 3.13Å
200L87.5Confident92.4Very high19 Ų1929.8 Ų29.810%0.09916%0.161CC..SBendtrans62.48.7-178.9-52.6173.3000115F103 P156 S196 S197 V198 S217F103-L200 HydrophobicContact CD2-CD1 4Å; P156-L200 HydrophobicContact CB-CB 4.41Å; P156-L200 WeakPolarHBondContact CD-O 3.49Å; P156-L200 HydrophobicContact CG-CB 4.01Å; P156-L200 WeakPolarHBondContact CG-O 3.33Å; S196-L200 VanDerWaalsContact OG-CD2 3.32Å; S196-L200 WeakPolarHBondContact OG-CD2 3.37Å; S197-L200 WeakPolarHBondContact O-CA 3.31Å; S197-L200 PolarHBondContact O-N 2.59Å; S197-L200 PolarHBondContact OG-N 2.67Å; V198-L200 VanDerWaalsContact C-N 3.32Å; L200-S217 VanDerWaalsContact O-CB 3.26Å; L200-S217 WeakPolarHBondContact O-CB 3.47Å; L200-S217 PolarHBondContact O-OG 3.3Å
201T89.5Confident92.4Very high50 Ų5028.4 Ų28.431%0.30716%0.156SC..SBendtrans-79.2-28.9-178.665.70000112.6S197 D199 D216 S217S197-T201 PolarHBondContact OG-N 3.23Å; D199-T201 HydrophobicContact CB-CG2 4.25Å; D199-T201 PolarHBondContact O-N 3.48Å; D199-T201 VanDerWaalsContact O-N 3.13Å; D199-T201 PolarHBondContact OD1-N 3.04Å; D199-T201 PolarHBondContact OD1-OG1 2.82Å; D199-T201 VanDerWaalsContact OD1-OG1 3.13Å; D199-T201 WeakPolarHBondContact OD2-CB 3.49Å; D199-T201 WeakPolarHBondContact OD2-CG2 3.48Å; D199-T201 PolarHBondContact OD2-OG1 3.13Å; T201-D216 VanDerWaalsContact O-OD1 3.12Å; T201-S217 WeakPolarHBondContact O-CB 3.46Å; T201-S217 PolarHBondContact O-N 2.87Å; T201-S217 PolarHBondContact O-OG 2.92Å; T201-S217 VanDerWaalsContact O-OG 3.07Å
202M93Very high92.4Very high76 Ų7628.4 Ų28.437%0.37416%0.156SC..EExtended strand (participates in β ladder)trans-119.3151.9-180-61.5-174.2-173.600110.5S196 S197 L214 F215 I223 I237S196-M202 WeakPolarHBondContact CA-O 3.18Å; S197-M202 PolarHBondContact N-O 3Å; S197-M202 PolarHBondContact OG-N 3.48Å; S197-M202 PolarHBondContact OG-O 3.44Å; S197-M202 VanDerWaalsContact OG-O 3.11Å; M202-L214 HydrophobicContact CB-CD1 4.12Å; M202-L214 HydrophobicContact SD-CD2 3.91Å; M202-L214 HydrophobicContact SD-CG 4.42Å; M202-F215 WeakPolarHBondContact CA-O 3.31Å; M202-I223 HydrophobicContact CG-CD1 4.48Å; M202-I223 HydrophobicContact SD-CD1 4.48Å; M202-I237 HydrophobicContact CB-CD1 4.22Å
203V94.8Very high92.5Very high1 Ų127.4 Ų27.41%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-133132.1174.768.60000109.6V153 I162 I194 Q195 F215V153-V203 HydrophobicContact CG1-CG2 4.11Å; I162-V203 HydrophobicContact CD1-CB 4.29Å; I162-V203 HydrophobicContact CD1-CG1 3.95Å; I194-V203 HydrophobicContact CG2-CG2 3.18Å; Q195-V203 WeakPolarHBondContact O-CA 3.15Å; Q195-V203 WeakPolarHBondContact O-CG2 3.32Å; V203-F215 HydrophobicContact CG1-CB 3.64Å; V203-F215 PolarHBondContact N-O 2.84Å; V203-F215 PolarHBondContact O-N 2.8Å
204I95.6Very high92.6Very high0 Ų027.1 Ų27.10%015%0.148CC..EExtended strand (participates in β ladder)trans-103.9137.3174.8-165.5163.2000109.6I194 Q195 S212 K213 L214 F226 A235 I237 V244I194-I204 WeakPolarHBondContact CA-O 3.48Å; Q195-I204 HydrophobicContact CB-CG2 4.09Å; Q195-I204 PolarHBondContact N-O 3.41Å; Q195-I204 WeakPolarHBondContact O-CG2 3.46Å; Q195-I204 PolarHBondContact O-N 3.45Å; I204-S212 VanDerWaalsContact CG1-OG 3.31Å; I204-S212 WeakPolarHBondContact CG1-OG 3.4Å; I204-K213 WeakPolarHBondContact CA-O 3.32Å; I204-L214 HydrophobicContact CB-CD1 4.15Å; I204-F226 HydrophobicContact CD1-CE2 4.47Å; I204-A235 HydrophobicContact CD1-CB 3.81Å; I204-A235 HydrophobicContact CG1-CB 3.86Å; I204-A235 HydrophobicContact CG2-CB 4.21Å; I204-A235 WeakPolarHBondContact CG2-O 3.47Å; I204-I237 HydrophobicContact CB-CD1 3.93Å; I204-I237 HydrophobicContact CB-CG1 3.78Å; I204-I237 HydrophobicContact CD1-CG1 4.3Å; I204-I237 HydrophobicContact CG2-CD1 4.08Å; I204-I237 HydrophobicContact CG2-CG1 3.69Å; I204-V244 HydrophobicContact CD1-CB 3.81Å; I204-V244 HydrophobicContact CD1-CG1 3.78Å; I204-V244 HydrophobicContact CD1-CG2 4.42Å
205T95.6Very high92.6Very high0 Ų026.9 Ų26.90%015%0.147CC..EExtended strand (participates in β ladder)trans-112147.3175.262.30000110.5I170 H187 I194 S212 K213 F215I170-T205 HydrophobicContact CD1-CG2 3.71Å; I170-T205 HydrophobicContact CG1-CG2 4.39Å; H187-T205 PolarHBondContact NE2-OG1 3Å; I194-T205 HydrophobicContact CG1-CG2 4.17Å; T205-S212 WeakPolarHBondContact O-CA 3.32Å; T205-S212 VanDerWaalsContact O-CB 3.26Å; T205-S212 WeakPolarHBondContact O-CB 3.29Å; T205-S212 PolarHBondContact O-OG 3.07Å; T205-K213 PolarHBondContact N-O 3.26Å; T205-K213 PolarHBondContact O-N 3.45Å; T205-K213 PolarHBondContact OG1-N 2.97Å; T205-K213 PolarHBondContact OG1-O 3.29Å; T205-F215 HydrophobicContact CG2-CD2 3.87Å; T205-F215 HydrophobicContact CG2-CE2 3.75Å
206A95.6Very high92.5Very high0 Ų028 Ų280%015%0.154CC..EExtended strand (participates in β ladder)trans-121.3129.8170.900000110.1I191 N192 D193 V232 A235I191-A206 CarbonylContact C-O 3.6Å; I191-A206 WeakPolarHBondContact CA-O 3.47Å; N192-A206 PolarHBondContact N-O 2.89Å; D193-A206 HydrophobicContact CB-CB 4.26Å; D193-A206 PolarHBondContact O-N 3.09Å; A206-V232 HydrophobicContact CB-CB 4.2Å; A206-V232 HydrophobicContact CB-CG1 3.67Å; A206-A235 HydrophobicContact CB-CB 3.96Å
207S95.1Very high92.4Very high0 Ų026.2 Ų26.20%014%0.141CC..EExtended strand (participates in β ladder)trans-130.3153.4-177.8178.70000113.3H187 R189 Q190 D209 N210 T211 V232H187-S207 WeakPolarHBondContact ND1-CB 3.3Å; R189-S207 PolarHBondContact O-OG 2.87Å; Q190-S207 WeakPolarHBondContact O-CA 3.31Å; Q190-S207 PolarHBondContact O-OG 2.95Å; Q190-S207 VanDerWaalsContact O-OG 3.05Å; S207-D209 VanDerWaalsContact CB-OD1 3.25Å; S207-D209 WeakPolarHBondContact CB-OD1 3.41Å; S207-D209 PolarHBondContact O-N 2.96Å; S207-D209 VanDerWaalsContact O-N 3.15Å; S207-D209 VanDerWaalsContact OG-CG 3.24Å; S207-D209 PolarHBondContact OG-N 2.8Å; S207-D209 PolarHBondContact OG-OD1 2.99Å; S207-D209 PolarHBondContact OG-OD2 3.49Å; S207-N210 PolarHBondContact O-N 2.69Å; S207-T211 PolarHBondContact N-O 3.31Å; S207-T211 VanDerWaalsContact N-O 3.17Å; S207-V232 CarbonylContact C-O 3.56Å; S207-V232 PolarHBondContact O-N 3.05Å; S207-V232 VanDerWaalsContact O-O 3.14Å
208K91.3Very high92.3Very high50 Ų5029.7 Ų29.722%0.21716%0.159CC..THydrogen-bonded Turntrans-69.5-0.6172.5-68.7-151.7-174-176.70113.5R189 Q190 N192 N210 P231 E251R189-K208 HydrophobicContact CB-CB 4.33Å; R189-K208 WeakPolarHBondContact CD-O 3.44Å; Q190-K208 HydrophobicContact CG-CB 4.31Å; Q190-K208 HydrophobicContact CG-CD 4.25Å; Q190-K208 HydrophobicContact CG-CG 3.97Å; Q190-K208 VanDerWaalsContact NE2-CD 3.28Å; Q190-K208 PolarHBondContact O-N 2.93Å; N192-K208 WeakPolarHBondContact ND2-CG 3.34Å; K208-N210 PolarHBondContact O-N 2.85Å; K208-P231 HydrophobicContact CB-CB 4.48Å; K208-E251 IonicContact NZ-OE1 3.24Å; K208-E251 PolarHBondContact NZ-OE1 2.97Å
209D91.6Very high92.4Very high25 Ų2527.9 Ų27.913%0.13415%0.149CC..THydrogen-bonded Turntrans-8412.5172.96513000114H187 T188 R189 S207 T211H187-D209 WeakPolarHBondContact CA-OD2 3.42Å; H187-D209 WeakPolarHBondContact CB-OD2 3.05Å; H187-D209 IonicContact CG-OD2 3.5Å; H187-D209 IonicContact ND1-OD1 2.76Å; H187-D209 PolarHBondContact ND1-OD1 3.11Å; H187-D209 IonicContact ND1-OD2 3.64Å; H187-D209 PolarHBondContact ND1-OD2 2.93Å; T188-D209 PolarHBondContact N-OD2 3.4Å; T188-D209 VanDerWaalsContact OG1-CB 3.26Å; T188-D209 WeakPolarHBondContact OG1-CB 3.48Å; T188-D209 PolarHBondContact OG1-OD2 3.07Å; R189-D209 HydrophobicContact CB-CB 3.96Å; R189-D209 HydrophobicContact CG-CB 3.97Å; S207-D209 VanDerWaalsContact CB-OD1 3.25Å; S207-D209 WeakPolarHBondContact CB-OD1 3.41Å; S207-D209 PolarHBondContact O-N 2.96Å; S207-D209 VanDerWaalsContact O-N 3.15Å; S207-D209 VanDerWaalsContact OG-CG 3.24Å; S207-D209 PolarHBondContact OG-N 2.8Å; S207-D209 PolarHBondContact OG-OD1 2.99Å; S207-D209 PolarHBondContact OG-OD2 3.49Å; D209-T211 PolarHBondContact O-N 3.44Å; D209-T211 WeakPolarHBondContact OD1-CB 3.24Å; D209-T211 PolarHBondContact OD1-N 3.45Å; D209-T211 PolarHBondContact OD1-OG1 3.44Å
210N91.9Very high92.7Very high54 Ų5423.5 Ų23.529%0.28913%0.126SC..SBendtrans66.321.2-178.8-44.9-18.6000113.4S207 K208 T228 R230 P231S207-N210 PolarHBondContact O-N 2.69Å; K208-N210 PolarHBondContact O-N 2.85Å; N210-T228 VanDerWaalsContact CB-O 3.29Å; N210-T228 WeakPolarHBondContact CB-O 3.32Å; N210-T228 PolarHBondContact O-N 3.23Å; N210-T228 PolarHBondContact O-OG1 3.22Å; N210-T228 VanDerWaalsContact O-OG1 3.13Å; N210-R230 VanDerWaalsContact OD1-C 3.32Å; N210-P231 WeakPolarHBondContact OD1-CA 3.38Å; N210-P231 WeakPolarHBondContact OD1-CB 3.34Å; N210-P231 WeakPolarHBondContact OD1-CD 3.37Å
211T93.9Very high92.8Very high21 Ų2127.7 Ų27.713%0.12915%0.148CC..EExtended strand (participates in β ladder)trans-120.4145.9173.9720000110.9H187 S207 D209 T225 F226 R227H187-T211 PolarHBondContact CE1-OG1 3.19Å; H187-T211 PolarHBondContact ND1-OG1 2.57Å; H187-T211 VanDerWaalsContact ND1-OG1 3.12Å; S207-T211 PolarHBondContact N-O 3.31Å; S207-T211 VanDerWaalsContact N-O 3.17Å; D209-T211 PolarHBondContact O-N 3.44Å; D209-T211 WeakPolarHBondContact OD1-CB 3.24Å; D209-T211 PolarHBondContact OD1-N 3.45Å; D209-T211 PolarHBondContact OD1-OG1 3.44Å; T211-T225 HydrophobicContact CG2-CG2 4.39Å; T211-F226 WeakPolarHBondContact CA-O 3.43Å; T211-R227 HydrophobicContact CG2-CG 4.43Å
212S95.2Very high93Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-118.1137.9160.2-179.70000107.6I204 T205 F226 A235 M246I204-S212 VanDerWaalsContact CG1-OG 3.31Å; I204-S212 WeakPolarHBondContact CG1-OG 3.4Å; T205-S212 WeakPolarHBondContact O-CA 3.32Å; T205-S212 VanDerWaalsContact O-CB 3.26Å; T205-S212 WeakPolarHBondContact O-CB 3.29Å; T205-S212 PolarHBondContact O-OG 3.07Å; S212-F226 PolarHBondContact N-O 3.48Å; S212-F226 PolarHBondContact O-N 3.12Å; S212-A235 WeakPolarHBondContact OG-CB 3.37Å; S212-M246 WeakPolarHBondContact CB-SD 3.41Å
213K95.4Very high93Very high22 Ų2228.2 Ų28.210%0.09615%0.148CC..EExtended strand (participates in β ladder)trans-126.3142.2-176.9-73.2173.6176.4-84.30109.7E186 I204 T205 F215 K224 T225E186-K213 HydrophobicContact CB-CD 3.99Å; E186-K213 VanDerWaalsContact O-CE 3.32Å; E186-K213 WeakPolarHBondContact O-CE 3.38Å; E186-K213 IonicContact OE2-NZ 3.66Å; I204-K213 WeakPolarHBondContact CA-O 3.32Å; T205-K213 PolarHBondContact N-O 3.26Å; T205-K213 PolarHBondContact O-N 3.45Å; T205-K213 PolarHBondContact OG1-N 2.97Å; T205-K213 PolarHBondContact OG1-O 3.29Å; K213-F215 HydrophobicContact CB-CD2 4.19Å; K213-F215 HydrophobicContact CB-CE2 3.34Å; K213-F215 HydrophobicContact CB-CZ 3.69Å; K213-F215 HydrophobicContact CD-CE2 4.37Å; K213-F215 HydrophobicContact CD-CZ 3.93Å; K213-F215 HydrophobicContact CG-CZ 4.47Å; K213-K224 CarbonylContact C-O 3.59Å; K213-K224 VanDerWaalsContact CA-O 3.3Å; K213-K224 WeakPolarHBondContact CA-O 3.18Å; K213-T225 HydrophobicContact CG-CG2 4.22Å; K213-T225 PolarHBondContact NZ-OG1 3.15Å
214L95.2Very high93Very high9 Ų931.3 Ų31.35%0.04716%0.161CC..EExtended strand (participates in β ladder)trans-101.4132.1173.9-167.868.5000108.9M202 I204 I223 K224 F226 I237M202-L214 HydrophobicContact CB-CD1 4.12Å; M202-L214 HydrophobicContact SD-CD2 3.91Å; M202-L214 HydrophobicContact SD-CG 4.42Å; I204-L214 HydrophobicContact CB-CD1 4.15Å; L214-I223 HydrophobicContact CG-CD1 4.41Å; L214-I223 PolarHBondContact O-N 2.66Å; L214-K224 HydrophobicContact CB-CB 4.1Å; L214-K224 PolarHBondContact N-O 2.76Å; L214-K224 PolarHBondContact O-N 3.49Å; L214-F226 HydrophobicContact CB-CE2 4.18Å; L214-I237 HydrophobicContact CD1-CD1 3.65Å; L214-I237 HydrophobicContact CD1-CG1 4.21Å
215F94.6Very high92.9Very high0 Ų032.2 Ų32.20%017%0.167CC..EExtended strand (participates in β ladder)trans-126.1151.2-179.6-63.2-89.2000110.5I170 E186 M202 V203 T205 K213 D221 H222I170-F215 HydrophobicContact CD1-CD2 3.92Å; I170-F215 HydrophobicContact CD1-CE1 4.01Å; I170-F215 HydrophobicContact CD1-CE2 3.33Å; I170-F215 HydrophobicContact CD1-CG 4.47Å; I170-F215 HydrophobicContact CD1-CZ 3.39Å; E186-F215 HydrophobicContact CB-CE1 4.15Å; E186-F215 HydrophobicContact CB-CZ 3.78Å; E186-F215 HydrophobicContact CG-CE1 3.81Å; E186-F215 HydrophobicContact CG-CZ 3.99Å; M202-F215 WeakPolarHBondContact CA-O 3.31Å; V203-F215 HydrophobicContact CG1-CB 3.64Å; V203-F215 PolarHBondContact N-O 2.84Å; V203-F215 PolarHBondContact O-N 2.8Å; T205-F215 HydrophobicContact CG2-CD2 3.87Å; T205-F215 HydrophobicContact CG2-CE2 3.75Å; K213-F215 HydrophobicContact CB-CD2 4.19Å; K213-F215 HydrophobicContact CB-CE2 3.34Å; K213-F215 HydrophobicContact CB-CZ 3.69Å; K213-F215 HydrophobicContact CD-CE2 4.37Å; K213-F215 HydrophobicContact CD-CZ 3.93Å; K213-F215 HydrophobicContact CG-CZ 4.47Å; F215-D221 WeakPolarHBondContact CA-O 3.41Å; F215-H222 HydrophobicContact CD1-CB 4.15Å; F215-H222 HydrophobicContact CE1-CB 3.78Å
216D93.8Very high92.9Very high43 Ų4332.3 Ų32.323%0.2317%0.167CC..EExtended strand (participates in β ladder)trans-77.4131.9163.3169.443.4000109.2T201 N218 S219 L220 D221 I223T201-D216 VanDerWaalsContact O-OD1 3.12Å; D216-N218 VanDerWaalsContact C-N 3.31Å; D216-N218 PolarHBondContact O-N 3.39Å; D216-S219 VanDerWaalsContact CB-OG 3.3Å; D216-S219 WeakPolarHBondContact CB-OG 3.02Å; D216-S219 WeakPolarHBondContact OD2-CB 3.31Å; D216-S219 PolarHBondContact OD2-N 3.09Å; D216-S219 PolarHBondContact OD2-OG 3.44Å; D216-L220 WeakPolarHBondContact O-CA 3.4Å; D216-L220 PolarHBondContact O-N 2.98Å; D216-D221 PolarHBondContact N-O 3.14Å; D216-D221 VanDerWaalsContact N-O 3.1Å; D216-I223 HydrophobicContact CB-CD1 4.09Å; D216-I223 HydrophobicContact CB-CG1 4.5Å
217S90.1Very high92.8Very high2 Ų241.6 Ų41.61%0.01420%0.202CC..THydrogen-bonded Turntrans-69.2-30.9-173.468.20000112.5P156 F160 L200 T201P156-S217 WeakPolarHBondContact CG-OG 3.41Å; F160-S217 VanDerWaalsContact CE2-O 3.31Å; F160-S217 WeakPolarHBondContact CE2-O 3.44Å; F160-S217 VanDerWaalsContact CZ-O 3.3Å; F160-S217 WeakPolarHBondContact CZ-O 3.42Å; L200-S217 VanDerWaalsContact O-CB 3.26Å; L200-S217 WeakPolarHBondContact O-CB 3.47Å; L200-S217 PolarHBondContact O-OG 3.3Å; T201-S217 WeakPolarHBondContact O-CB 3.46Å; T201-S217 PolarHBondContact O-N 2.87Å; T201-S217 PolarHBondContact O-OG 2.92Å; T201-S217 VanDerWaalsContact O-OG 3.07Å
218N88.8Confident92.5Very high83 Ų8342.5 Ų42.544%0.44421%0.207SC..THydrogen-bonded Turntrans-83.1-46.9-177.7-69.6-45.8000112.3K182 D216K182-N218 PolarHBondContact NZ-O 3.04Å; D216-N218 VanDerWaalsContact C-N 3.31Å; D216-N218 PolarHBondContact O-N 3.39Å
219S87.8Confident92.3Very high29 Ų2945.8 Ų45.820%0.20323%0.228CC..THydrogen-bonded Turntrans-81.1-28.8-17960.70000113.2K182 D216 D221K182-S219 VanDerWaalsContact CD-O 3.3Å; K182-S219 WeakPolarHBondContact CD-O 3.32Å; K182-S219 VanDerWaalsContact NZ-CA 3.31Å; K182-S219 PolarHBondContact NZ-O 3.46Å; D216-S219 VanDerWaalsContact CB-OG 3.3Å; D216-S219 WeakPolarHBondContact CB-OG 3.02Å; D216-S219 WeakPolarHBondContact OD2-CB 3.31Å; D216-S219 PolarHBondContact OD2-N 3.09Å; D216-S219 PolarHBondContact OD2-OG 3.44Å; S219-D221 WeakPolarHBondContact CB-OD2 3.44Å; S219-D221 VanDerWaalsContact OG-CB 3.3Å; S219-D221 WeakPolarHBondContact OG-CB 3.13Å; S219-D221 PolarHBondContact OG-N 2.99Å; S219-D221 VanDerWaalsContact OG-N 3.07Å; S219-D221 PolarHBondContact OG-OD2 3.24Å
220L89.6Confident92.1Very high10 Ų1049.2 Ų49.25%0.05224%0.238CC..  trans58.621.8-159-77.3-174.9000113.5I162 I170 Q172 K182 D216I162-L220 HydrophobicContact CD1-CD2 4.3Å; I162-L220 HydrophobicContact CG2-CD2 4.2Å; I170-L220 HydrophobicContact CG2-CD1 4.36Å; I170-L220 HydrophobicContact CG2-CD2 3.85Å; Q172-L220 HydrophobicContact CB-CD1 3.78Å; K182-L220 HydrophobicContact CB-CD1 3.91Å; D216-L220 WeakPolarHBondContact O-CA 3.4Å; D216-L220 PolarHBondContact O-N 2.98Å
221D91.5Very high92.1Very high106 Ų10647.8 Ų47.857%0.56723%0.232SC*.  trans-75.6135175.3-67.6-23.7000110.3F215 D216 S219 I223F215-D221 WeakPolarHBondContact CA-O 3.41Å; D216-D221 PolarHBondContact N-O 3.14Å; D216-D221 VanDerWaalsContact N-O 3.1Å; S219-D221 WeakPolarHBondContact CB-OD2 3.44Å; S219-D221 VanDerWaalsContact OG-CB 3.3Å; S219-D221 WeakPolarHBondContact OG-CB 3.13Å; S219-D221 PolarHBondContact OG-N 2.99Å; S219-D221 VanDerWaalsContact OG-N 3.07Å; S219-D221 PolarHBondContact OG-OD2 3.24Å; D221-I223 PolarHBondContact O-N 3.23Å
222H93.4Very high92.1Very high69 Ų6946.9 Ų46.932%0.31923%0.227SC..EExtended strand (participates in β ladder)trans-69.7121.1174.6167.3-86.4000110.4F215 K224 T225F215-H222 HydrophobicContact CD1-CB 4.15Å; F215-H222 HydrophobicContact CE1-CB 3.78Å; H222-K224 PolarHBondContact NE2-O 3.19Å; H222-K224 VanDerWaalsContact NE2-O 3.1Å; H222-T225 PolarHBondContact CE1-OG1 2.98Å; H222-T225 PolarHBondContact NE2-N 3.06Å; H222-T225 PolarHBondContact NE2-OG1 3.38Å
223I93Very high92Very high69 Ų6948 Ų4835%0.35423%0.233SC..EExtended strand (participates in β ladder)trans-95.7-53.4179.8-46.4177.5000110.6M202 L214 D216 D221M202-I223 HydrophobicContact CG-CD1 4.48Å; M202-I223 HydrophobicContact SD-CD1 4.48Å; L214-I223 HydrophobicContact CG-CD1 4.41Å; L214-I223 PolarHBondContact O-N 2.66Å; D216-I223 HydrophobicContact CB-CD1 4.09Å; D216-I223 HydrophobicContact CB-CG1 4.5Å; D221-I223 PolarHBondContact O-N 3.23Å
224K93.7Very high91.9Very high65 Ų6547 Ų4728%0.28323%0.228SC..EExtended strand (participates in β ladder)trans-143.3146.9-170.7-64.5-69.5173.4166.10112.4K213 L214 H222 F226 A273 E275K213-K224 CarbonylContact C-O 3.59Å; K213-K224 VanDerWaalsContact CA-O 3.3Å; K213-K224 WeakPolarHBondContact CA-O 3.18Å; L214-K224 HydrophobicContact CB-CB 4.1Å; L214-K224 PolarHBondContact N-O 2.76Å; L214-K224 PolarHBondContact O-N 3.49Å; H222-K224 PolarHBondContact NE2-O 3.19Å; H222-K224 VanDerWaalsContact NE2-O 3.1Å; K224-F226 HydrophobicContact CB-CE2 4.24Å; K224-F226 HydrophobicContact CB-CZ 3.94Å; K224-A273 WeakPolarHBondContact CE-O 3.31Å; K224-A273 PolarHBondContact NZ-O 2.81Å; K224-E275 WeakPolarHBondContact CA-OE1 3.19Å; K224-E275 HydrophobicContact CB-CG 4.37Å; K224-E275 WeakPolarHBondContact CB-OE1 3.05Å; K224-E275 HydrophobicContact CD-CG 3.81Å; K224-E275 WeakPolarHBondContact CD-OE1 3.33Å
225T94.7Very high92Very high20 Ų2046.6 Ų46.612%0.12323%0.227CC..EExtended strand (participates in β ladder)trans-120.5116.5173.5-66.20000110.2T211 K213 H222 R227 E275T211-T225 HydrophobicContact CG2-CG2 4.39Å; K213-T225 HydrophobicContact CG-CG2 4.22Å; K213-T225 PolarHBondContact NZ-OG1 3.15Å; H222-T225 PolarHBondContact CE1-OG1 2.98Å; H222-T225 PolarHBondContact NE2-N 3.06Å; H222-T225 PolarHBondContact NE2-OG1 3.38Å; T225-R227 HydrophobicContact CG2-CG 3.94Å; T225-E275 PolarHBondContact N-OE1 3.34Å
226F94.4Very high92Very high1 Ų146.7 Ų46.70%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-94.3123.9170-47-76.5000109.6I204 T211 S212 L214 K224 V244 M246 F270 E275I204-F226 HydrophobicContact CD1-CE2 4.47Å; T211-F226 WeakPolarHBondContact CA-O 3.43Å; S212-F226 PolarHBondContact N-O 3.48Å; S212-F226 PolarHBondContact O-N 3.12Å; L214-F226 HydrophobicContact CB-CE2 4.18Å; K224-F226 HydrophobicContact CB-CE2 4.24Å; K224-F226 HydrophobicContact CB-CZ 3.94Å; F226-V244 HydrophobicContact CD1-CG2 4.12Å; F226-V244 HydrophobicContact CD2-CG2 4.03Å; F226-V244 HydrophobicContact CE1-CG2 3.94Å; F226-V244 HydrophobicContact CE2-CG1 4.23Å; F226-V244 HydrophobicContact CE2-CG2 3.85Å; F226-V244 HydrophobicContact CG-CG2 4.17Å; F226-V244 HydrophobicContact CZ-CG1 4.22Å; F226-V244 HydrophobicContact CZ-CG2 3.81Å; F226-M246 HydrophobicContact CB-CE 3.46Å; F226-M246 VanDerWaalsContact CB-CE 3.46Å; F226-M246 HydrophobicContact CB-SD 3.89Å; F226-M246 HydrophobicContact CG-CE 4.07Å; F226-F270 HydrophobicContact CB-CD1 4.41Å; F226-F270 HydrophobicContact CD1-CB 3.91Å; F226-F270 HydrophobicContact CD1-CD1 4.09Å; F226-F270 HydrophobicContact CD1-CG 4.24Å; F226-F270 HydrophobicContact CE1-CB 4.32Å; F226-E275 HydrophobicContact CD1-CB 4.21Å; F226-E275 HydrophobicContact CD1-CG 4.36Å; F226-E275 HydrophobicContact CE1-CB 4.33Å; F226-E275 HydrophobicContact CE1-CG 4.14Å
227R93.1Very high92Very high196 Ų19646 Ų4674%0.7422%0.223SC*.EExtended strand (participates in β ladder)trans-106.3133.9-179.4-62.4-174.8-179174.11.4110.4T211 T225T211-R227 HydrophobicContact CG2-CG 4.43Å; T225-R227 HydrophobicContact CG2-CG 3.94Å
228T89.8Confident92.2Very high18 Ų1846.3 Ų46.311%0.1123%0.225CC..  trans-121.9160.3175.653.80000110.5N210 R230 V232 M246 F270N210-T228 VanDerWaalsContact CB-O 3.29Å; N210-T228 WeakPolarHBondContact CB-O 3.32Å; N210-T228 PolarHBondContact O-N 3.23Å; N210-T228 PolarHBondContact O-OG1 3.22Å; N210-T228 VanDerWaalsContact O-OG1 3.13Å; T228-R230 PolarHBondContact O-N 3.47Å; T228-R230 PolarHBondContact OG1-O 3.16Å; T228-V232 HydrophobicContact CG2-CG2 4.29Å; T228-V232 VanDerWaalsContact OG1-CG2 3.22Å; T228-V232 WeakPolarHBondContact OG1-CG2 3.25Å; T228-M246 HydrophobicContact CG2-CE 4.22Å; T228-M246 HydrophobicContact CG2-SD 4.15Å; T228-F270 HydrophobicContact CG2-CE2 4.13Å; T228-F270 HydrophobicContact CG2-CZ 4.04Å
229D86.8Confident92.2Very high120 Ų12044.5 Ų44.564%0.64222%0.218SC*.SBendtrans-78.2-17.9177.2-39.8-67.7000112R268D229-R268 IonicContact OD2-CZ 3.53Å; D229-R268 IonicContact OD2-NH1 2.76Å; D229-R268 PolarHBondContact OD2-NH1 2.97Å; D229-R268 IonicContact OD2-NH2 2.87Å; D229-R268 PolarHBondContact OD2-NH2 3.21Å; D229-R268 VanDerWaalsContact OD2-NH2 3.17Å
230R88.1Confident92.2Very high96 Ų9647.9 Ų47.936%0.36223%0.233SC..SBendtrans-121.2156.1-175.5-68.4-174.9179.4178.41.9110.1N210 T228N210-R230 VanDerWaalsContact OD1-C 3.32Å; T228-R230 PolarHBondContact O-N 3.47Å; T228-R230 PolarHBondContact OG1-O 3.16Å
231P91.1Very high92Very high25 Ų2549.4 Ų49.416%0.16224%0.24CC..  trans-63.9142.6177.425.1-34000111K208 N210 G248 G249K208-P231 HydrophobicContact CB-CB 4.48Å; N210-P231 WeakPolarHBondContact OD1-CA 3.38Å; N210-P231 WeakPolarHBondContact OD1-CB 3.34Å; N210-P231 WeakPolarHBondContact OD1-CD 3.37Å; P231-G248 WeakPolarHBondContact O-CA 3.39Å; P231-G249 PolarHBondContact O-N 3.47Å; P231-G249 VanDerWaalsContact O-N 3.14Å
232V93.2Very high91.9Very high2 Ų249.7 Ų49.71%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-97.6125.4-180-167.60000108.4N192 A206 S207 T228 S234 M246N192-V232 PolarHBondContact ND2-O 3.39Å; A206-V232 HydrophobicContact CB-CB 4.2Å; A206-V232 HydrophobicContact CB-CG1 3.67Å; S207-V232 CarbonylContact C-O 3.56Å; S207-V232 PolarHBondContact O-N 3.05Å; S207-V232 VanDerWaalsContact O-O 3.14Å; T228-V232 HydrophobicContact CG2-CG2 4.29Å; T228-V232 VanDerWaalsContact OG1-CG2 3.22Å; T228-V232 WeakPolarHBondContact OG1-CG2 3.25Å; V232-S234 WeakPolarHBondContact CG1-O 3.22Å; V232-M246 HydrophobicContact CG1-CB 4.07Å; V232-M246 HydrophobicContact CG1-CG 4.22Å; V232-M246 HydrophobicContact CG1-SD 4.48Å; V232-M246 HydrophobicContact CG2-SD 4.38Å
233N93.7Very high91.8Very high23 Ų2346.6 Ų46.612%0.12323%0.227CC..EExtended strand (participates in β ladder)trans-94.7-35.3177.7-68.4-26.7000111.3N192 D193 G247 I288N192-N233 WeakPolarHBondContact CB-O 3.4Å; D193-N233 WeakPolarHBondContact CB-O 3.49Å; N233-G247 PolarHBondContact N-O 3.25Å; N233-I288 VanDerWaalsContact CB-O 3.31Å; N233-I288 WeakPolarHBondContact CB-O 3.25Å; N233-I288 PolarHBondContact ND2-O 2.81Å
234S94.6Very high91.9Very high1 Ų143.3 Ų43.31%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-151.1148.3-179.5175.90000110.9D193 Q195 V232 G247 N289 V291D193-S234 WeakPolarHBondContact OD2-CB 3.15Å; D193-S234 PolarHBondContact OD2-OG 2.92Å; Q195-S234 PolarHBondContact NE2-OG 2.77Å; V232-S234 WeakPolarHBondContact CG1-O 3.22Å; S234-G247 PolarHBondContact N-O 3.16Å; S234-G247 PolarHBondContact O-N 3.14Å; S234-G247 VanDerWaalsContact O-O 3.09Å; S234-N289 WeakPolarHBondContact CB-O 3.39Å; S234-V291 WeakPolarHBondContact OG-CG2 3.34Å; S234-V291 PolarHBondContact OG-N 3.24Å
235A95.6Very high91.9Very high1 Ų140.2 Ų40.21%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-141143.7178.400000109.1Q195 I204 A206 S212 V245 M246Q195-A235 VanDerWaalsContact CD-O 3.26Å; Q195-A235 WeakPolarHBondContact CG-O 3.37Å; I204-A235 HydrophobicContact CD1-CB 3.81Å; I204-A235 HydrophobicContact CG1-CB 3.86Å; I204-A235 HydrophobicContact CG2-CB 4.21Å; I204-A235 WeakPolarHBondContact CG2-O 3.47Å; A206-A235 HydrophobicContact CB-CB 3.96Å; S212-A235 WeakPolarHBondContact OG-CB 3.37Å; A235-V245 VanDerWaalsContact CA-O 3.31Å; A235-V245 WeakPolarHBondContact CA-O 3.09Å; A235-M246 HydrophobicContact CB-CG 3.95Å
236A95.3Very high91.9Very high1 Ų139.5 Ų39.51%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-138.5151.7178.500000110.5Q195 V244 V245 V291 F293Q195-A236 VanDerWaalsContact OE1-CB 3.25Å; A236-V244 WeakPolarHBondContact O-CA 3.49Å; A236-V245 HydrophobicContact CB-CG1 3.91Å; A236-V245 PolarHBondContact N-O 2.63Å; A236-V245 PolarHBondContact O-N 3.18Å; A236-V291 HydrophobicContact CB-CG2 4.14Å; A236-F293 HydrophobicContact CB-CD2 3.62Å; A236-F293 HydrophobicContact CB-CE2 4.14Å; A236-F293 WeakPolarHBondContact O-CE2 3.49Å
237I94.5Very high91.8Very high30 Ų3039.5 Ų39.515%0.15419%0.193CC..EExtended strand (participates in β ladder)trans-99.2133.2179.6-56.3166.6000108.5M202 I204 L214 V244 F293M202-I237 HydrophobicContact CB-CD1 4.22Å; I204-I237 HydrophobicContact CB-CD1 3.93Å; I204-I237 HydrophobicContact CB-CG1 3.78Å; I204-I237 HydrophobicContact CD1-CG1 4.3Å; I204-I237 HydrophobicContact CG2-CD1 4.08Å; I204-I237 HydrophobicContact CG2-CG1 3.69Å; L214-I237 HydrophobicContact CD1-CD1 3.65Å; L214-I237 HydrophobicContact CD1-CG1 4.21Å; I237-V244 HydrophobicContact CG1-CG1 4.45Å; I237-F293 WeakPolarHBondContact O-CD2 3.26Å
238S92.6Very high91.6Very high8 Ų830.9 Ų30.96%0.05617%0.165CC..  trans-69.8135.6174.7-179.50000110.2M241 H243S238-M241 WeakPolarHBondContact CB-O 3.43Å; S238-H243 WeakPolarHBondContact CB-O 3.13Å; S238-H243 PolarHBondContact N-O 2.92Å
239P89.3Confident91.3Very high45 Ų4530.2 Ų30.229%0.29216%0.161SC..SBendtrans-72.6-32.8-179.6-2031.7000115.1V198 F293 H294 P295V198-P239 HydrophobicContact CG2-CB 3.78Å; V198-P239 HydrophobicContact CG2-CG 3.89Å; P239-F293 HydrophobicContact CG-CB 4.4Å; P239-H294 WeakPolarHBondContact CG-O 3.13Å; P239-P295 WeakPolarHBondContact CB-O 3.23Å; P239-P295 WeakPolarHBondContact CG-O 3.43Å
240I88.3Confident90.8Very high99 Ų9929 Ų2951%0.50815%0.152SC..SBendtrans-100.6-43.2-171.2-66.7-170.4000111.6D296I240-D296 WeakPolarHBondContact CD1-O 3.38Å
241M86.4Confident89.6Confident42 Ų4229.5 Ų29.521%0.20716%0.158CC..SBendtrans-104.9153.9-174-62.8-66.3-73.100109.5S238 H243 F319S238-M241 WeakPolarHBondContact CB-O 3.43Å; M241-H243 HydrophobicContact CB-CB 4.36Å; M241-H243 PolarHBondContact O-N 3.17Å; M241-F319 HydrophobicContact CG-CD1 4.39Å
242D88.7Confident87.9Confident112 Ų11230.9 Ų30.960%0.59917%0.172SC*.SBendtrans-74.953.4172.7-70.7-24.3000111.5A272D242-A272 HydrophobicContact CB-CB 4.36Å; D242-A272 VanDerWaalsContact O-CB 3.28Å; D242-A272 WeakPolarHBondContact O-CB 3.21Å; D242-A272 PolarHBondContact O-N 2.62Å
243H91.7Very high86Confident4 Ų439 Ų392%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-121.4146.5-177.6-60.6158.5000110.8S238 M241 F270 H271 F278 Y318S238-H243 WeakPolarHBondContact CB-O 3.13Å; S238-H243 PolarHBondContact N-O 2.92Å; M241-H243 HydrophobicContact CB-CB 4.36Å; M241-H243 PolarHBondContact O-N 3.17Å; H243-F270 CarbonylContact C-O 3.55Å; H243-F270 WeakPolarHBondContact CA-O 2.92Å; H243-H271 AromaticContact NE2-CD2 3.97Å; H243-F278 HydrophobicContact CB-CE1 4.25Å; H243-F278 HydrophobicContact CB-CZ 4.27Å; H243-F278 AromaticContact CD2-CE1 3.58Å; H243-F278 AromaticContact CD2-CZ 3.82Å; H243-F278 AromaticContact CE1-CZ 3.6Å; H243-F278 AromaticContact CG-CE1 3.73Å; H243-F278 AromaticContact CG-CZ 3.63Å; H243-F278 AromaticContact ND1-CZ 3.48Å; H243-F278 WeakPolarHBondContact ND1-CZ 3.38Å; H243-F278 AromaticContact NE2-CE1 3.84Å; H243-F278 AromaticContact NE2-CZ 3.8Å; H243-Y318 AromaticContact ND1-CZ 3.52Å; H243-Y318 PolarHBondContact ND1-OH 2.79Å
244V93.9Very high83.9Confident1 Ų143.1 Ų43.11%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-119.9138.9170.7-590000109.3I204 F226 A236 I237 M246 F269 F270 A272I204-V244 HydrophobicContact CD1-CB 3.81Å; I204-V244 HydrophobicContact CD1-CG1 3.78Å; I204-V244 HydrophobicContact CD1-CG2 4.42Å; F226-V244 HydrophobicContact CD1-CG2 4.12Å; F226-V244 HydrophobicContact CD2-CG2 4.03Å; F226-V244 HydrophobicContact CE1-CG2 3.94Å; F226-V244 HydrophobicContact CE2-CG1 4.23Å; F226-V244 HydrophobicContact CE2-CG2 3.85Å; F226-V244 HydrophobicContact CG-CG2 4.17Å; F226-V244 HydrophobicContact CZ-CG1 4.22Å; F226-V244 HydrophobicContact CZ-CG2 3.81Å; A236-V244 WeakPolarHBondContact O-CA 3.49Å; I237-V244 HydrophobicContact CG1-CG1 4.45Å; V244-M246 HydrophobicContact CG2-CE 4.44Å; V244-F269 WeakPolarHBondContact O-CA 3.23Å; V244-F270 HydrophobicContact CG2-CB 3.67Å; V244-F270 PolarHBondContact N-O 2.91Å; V244-F270 PolarHBondContact O-N 2.88Å; V244-A272 HydrophobicContact CG1-CB 4.15Å
245V94.9Very high82Confident0 Ų047.3 Ų47.30%026%0.259CS..EExtended strand (participates in β ladder)trans-106.5134.7172.973.20000108.9A235 A236 A267 R268 F269 V291 F293 Y300A235-V245 VanDerWaalsContact CA-O 3.31Å; A235-V245 WeakPolarHBondContact CA-O 3.09Å; A236-V245 HydrophobicContact CB-CG1 3.91Å; A236-V245 PolarHBondContact N-O 2.63Å; A236-V245 PolarHBondContact O-N 3.18Å; V245-A267 HydrophobicContact CG2-CB 4.1Å; V245-R268 WeakPolarHBondContact CA-O 3.2Å; V245-F269 HydrophobicContact CB-CD1 4.18Å; V245-F269 HydrophobicContact CB-CE1 3.86Å; V245-F269 HydrophobicContact CB-CZ 4.24Å; V245-F269 HydrophobicContact CG2-CD1 4.18Å; V245-F269 HydrophobicContact CG2-CD2 4.38Å; V245-F269 HydrophobicContact CG2-CE1 3.74Å; V245-F269 HydrophobicContact CG2-CE2 3.94Å; V245-F269 HydrophobicContact CG2-CG 4.49Å; V245-F269 HydrophobicContact CG2-CZ 3.6Å; V245-V291 HydrophobicContact CG1-CB 4.13Å; V245-V291 HydrophobicContact CG1-CG2 4.01Å; V245-F293 HydrophobicContact CB-CE2 3.71Å; V245-F293 HydrophobicContact CB-CZ 3.67Å; V245-F293 HydrophobicContact CG1-CD2 3.85Å; V245-F293 HydrophobicContact CG1-CE2 3.19Å; V245-F293 HydrophobicContact CG1-CZ 3.59Å; V245-Y300 HydrophobicContact CG2-CD2 4.49Å; V245-Y300 HydrophobicContact CG2-CE2 4.44Å
246M94.1Very high79.5Confident5 Ų552.6 Ų52.63%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-122.8129.7175.7-71.3179.4-84.500110.1S212 F226 T228 V232 A235 V244 A267 R268 F270S212-M246 WeakPolarHBondContact CB-SD 3.41Å; F226-M246 HydrophobicContact CB-CE 3.46Å; F226-M246 VanDerWaalsContact CB-CE 3.46Å; F226-M246 HydrophobicContact CB-SD 3.89Å; F226-M246 HydrophobicContact CG-CE 4.07Å; T228-M246 HydrophobicContact CG2-CE 4.22Å; T228-M246 HydrophobicContact CG2-SD 4.15Å; V232-M246 HydrophobicContact CG1-CB 4.07Å; V232-M246 HydrophobicContact CG1-CG 4.22Å; V232-M246 HydrophobicContact CG1-SD 4.48Å; V232-M246 HydrophobicContact CG2-SD 4.38Å; A235-M246 HydrophobicContact CB-CG 3.95Å; V244-M246 HydrophobicContact CG2-CE 4.44Å; M246-A267 WeakPolarHBondContact O-CA 3.42Å; M246-R268 PolarHBondContact N-O 3.4Å; M246-R268 PolarHBondContact O-N 3.05Å; M246-F270 HydrophobicContact CE-CB 4.15Å; M246-F270 HydrophobicContact CE-CD1 4.18Å; M246-F270 HydrophobicContact CE-CD2 2.96Å; M246-F270 HydrophobicContact CE-CE1 4.31Å; M246-F270 HydrophobicContact CE-CE2 3.13Å; M246-F270 HydrophobicContact CE-CG 3.52Å; M246-F270 HydrophobicContact CE-CZ 3.83Å
247G92.6Very high77.2Confident1 Ų158.5 Ų58.51%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-111.2134172.800000110.4N233 S234N233-G247 PolarHBondContact N-O 3.25Å; S234-G247 PolarHBondContact N-O 3.16Å; S234-G247 PolarHBondContact O-N 3.14Å; S234-G247 VanDerWaalsContact O-O 3.09Å
248G88.7Confident74.7Confident15 Ų1563.2 Ų63.216%0.15536%0.358CS..EExtended strand (participates in β ladder)trans-167.7-165.8176.800000112.9P231 I288P231-G248 WeakPolarHBondContact O-CA 3.39Å; G248-I288 PolarHBondContact O-N 2.81Å
249G83.3Confident72.3Confident3 Ų367.9 Ų67.93%0.03139%0.391CS..  trans154.4150.1-176.700000111.2P231P231-G249 PolarHBondContact O-N 3.47Å; P231-G249 VanDerWaalsContact O-N 3.14Å
250Q76.7Confident69.9Low94 Ų9471.3 Ų71.344%0.43941%0.411SS..  trans-75.9140.5170.9-166.9165.2300109.4A252 D254 P287Q250-A252 PolarHBondContact O-N 2.74Å; Q250-D254 HydrophobicContact CG-CB 4.2Å; Q250-D254 PolarHBondContact NE2-OD2 3.26Å; Q250-P287 VanDerWaalsContact O-CG 3.28Å; Q250-P287 WeakPolarHBondContact O-CG 3.27Å
251E63.3Low68Low107 Ų10777.5 Ų77.550%0.543%0.428SS..  trans-54.9137.5-177.1-68.9177.7-167.300110.7K208 M253 D254K208-E251 IonicContact NZ-OE1 3.24Å; K208-E251 PolarHBondContact NZ-OE1 2.97Å; E251-M253 PolarHBondContact O-N 2.91Å; E251-D254 PolarHBondContact O-N 2.94Å; E251-D254 VanDerWaalsContact O-N 3.1Å
252A54.5Low66.4Low55 Ų5580.8 Ų80.846%0.45545%0.445SS..G310 helixtrans-59-20.2-174.200000113.4Q250 D254 V255Q250-A252 PolarHBondContact O-N 2.74Å; A252-D254 VanDerWaalsContact C-N 3.33Å; A252-D254 PolarHBondContact O-N 3.03Å; A252-V255 PolarHBondContact O-N 2.84Å
253M53Low65Low171 Ų17176.4 Ų76.484%0.84243%0.427SS*.G310 helixtrans-67.9-29.2179.3-152.3165.5-171.700113.3E251 V255E251-M253 PolarHBondContact O-N 2.91Å; M253-V255 VanDerWaalsContact C-N 3.33Å
254D51Low64.2Low111 Ų11182 Ų8259%0.59445%0.451SS*.G310 helixtrans-80.9-15.6174.5-75.9-16.6000112.4Q250 E251 A252 T256Q250-D254 HydrophobicContact CG-CB 4.2Å; Q250-D254 PolarHBondContact NE2-OD2 3.26Å; E251-D254 PolarHBondContact O-N 2.94Å; E251-D254 VanDerWaalsContact O-N 3.1Å; A252-D254 VanDerWaalsContact C-N 3.33Å; A252-D254 PolarHBondContact O-N 3.03Å; D254-T256 PolarHBondContact O-N 3.04Å
255V53.7Low63.8Low88 Ų8883 Ų8353%0.53346%0.456SS..SBendtrans-98.367.6-178.1-167.90000108.8A252 M253 T257A252-V255 PolarHBondContact O-N 2.84Å; M253-V255 VanDerWaalsContact C-N 3.33Å; V255-T257 PolarHBondContact O-N 2.82Å
256T43.4Very low63.5Low113 Ų11384 Ų8469%0.69346%0.46SS*.  trans-61.2130.5173.744.10000110.5D254D254-T256 PolarHBondContact O-N 3.04Å
257T46.3Very low63.4Low124 Ų12483.8 Ų83.876%0.76146%0.459SS*.  trans68.989.316263.50000118.2V255V255-T257 PolarHBondContact O-N 2.82Å
258T41.5Very low63.5Low129 Ų12984.7 Ų84.779%0.79146%0.462SS*.  -166.6117115.590000110.1
259S42.9Very low63.7Low107 Ų10784.1 Ų84.175%0.74846%0.456SS*.  trans-54.9142.5166.434.80000110.9
260T39.9Very low64.2Low117 Ų11784.5 Ų84.572%0.71846%0.456SS*.SBendtrans86.8106.8168.266.40000118.8I262T260-I262 PolarHBondContact O-N 2.86Å
261R47.9Very low65Low229 Ų22981.2 Ų81.286%0.86444%0.441SS*.  trans62.936.3135.5-64-176.9174.5-178.1-1.4119.2
262I52.5Low66.1Low110 Ų11076.9 Ų76.956%0.56442%0.424SS*.  trans-116.3103.1165.8-46.6174.5000108.6T260 K264T260-I262 PolarHBondContact O-N 2.86Å; I262-K264 HydrophobicContact CB-CG 3.98Å; I262-K264 HydrophobicContact CG2-CD 4.21Å; I262-K264 HydrophobicContact CG2-CG 3.42Å; I262-K264 VanDerWaalsContact CG2-CG 3.42Å; I262-K264 PolarHBondContact O-N 2.9Å
263G59.2Low67.7Low21 Ų2176.4 Ų76.422%0.21642%0.419CS..  trans-65.278.4169.100000110.5H284G263-H284 CarbonylContact C-O 3.56Å; G263-H284 WeakPolarHBondContact CA-O 3.22Å
264K74.1Confident69.4Low121 Ų12174.7 Ų74.753%0.52640%0.404SS..  trans-87.8-8.3-178.1-70.5-171.8-179.7172.70113I262I262-K264 HydrophobicContact CB-CG 3.98Å; I262-K264 HydrophobicContact CG2-CD 4.21Å; I262-K264 HydrophobicContact CG2-CG 3.42Å; I262-K264 VanDerWaalsContact CG2-CG 3.42Å; I262-K264 PolarHBondContact O-N 2.9Å
265F86Confident71.2Confident23 Ų2373.1 Ų73.110%0.10139%0.393CS..EExtended strand (participates in β ladder)trans-89.4133.4177.7-62.5-87.2000109.3H284 F285 G286 P287F265-H284 HydrophobicContact CB-CB 4.03Å; F265-H284 PolarHBondContact N-O 3.38Å; F265-F285 WeakPolarHBondContact CD2-O 3.13Å; F265-F285 WeakPolarHBondContact CE2-O 3.46Å; F265-G286 WeakPolarHBondContact CB-O 3.46Å; F265-G286 VanDerWaalsContact CD2-CA 3.46Å; F265-G286 VanDerWaalsContact CD2-O 3.24Å; F265-G286 WeakPolarHBondContact CD2-O 3.46Å; F265-G286 WeakPolarHBondContact CG-O 3.47Å; F265-P287 HydrophobicContact CD1-CB 4.42Å; F265-P287 HydrophobicContact CD1-CG 4.32Å; F265-P287 HydrophobicContact CE1-CB 4.27Å; F265-P287 HydrophobicContact CE1-CG 3.73Å; F265-P287 HydrophobicContact CZ-CG 3.92Å
266E89.1Confident72.9Confident20 Ų2074.1 Ų74.19%0.09339%0.392CS..EExtended strand (participates in β ladder)trans-129.6138.6-169.562-166.7-174.900109.9R268 R280 V281 K282E266-R268 HydrophobicContact CG-CG 4.22Å; E266-R268 IonicContact OE1-CZ 2.67Å; E266-R268 IonicContact OE1-NE 2.88Å; E266-R268 PolarHBondContact OE1-NE 3.27Å; E266-R268 IonicContact OE1-NH2 3.28Å; E266-R268 PolarHBondContact OE1-NH2 3.39Å; E266-R280 WeakPolarHBondContact OE1-CD 3.37Å; E266-R280 IonicContact OE1-CZ 3.66Å; E266-R280 IonicContact OE1-NE 3.85Å; E266-R280 IonicContact OE1-NH1 3.3Å; E266-R280 PolarHBondContact OE1-NH1 2.96Å; E266-R280 WeakPolarHBondContact OE2-CD 3.42Å; E266-V281 CarbonylContact C-O 3.59Å; E266-V281 VanDerWaalsContact CA-O 3.22Å; E266-V281 WeakPolarHBondContact CA-O 3.32Å; E266-K282 HydrophobicContact CB-CG 4.02Å; E266-K282 WeakPolarHBondContact OE2-CE 3.34Å
267A92.7Very high75.1Confident1 Ų171.8 Ų71.81%0.00837%0.374CS..EExtended strand (participates in β ladder)trans-81.4130.4162.700000107.6V245 M246 R280 V281 I288 Y300V245-A267 HydrophobicContact CG2-CB 4.1Å; M246-A267 WeakPolarHBondContact O-CA 3.42Å; A267-R280 WeakPolarHBondContact O-CA 3.38Å; A267-V281 PolarHBondContact N-O 3.45Å; A267-V281 PolarHBondContact O-N 2.81Å; A267-I288 HydrophobicContact CB-CD1 3.91Å; A267-Y300 HydrophobicContact CB-CE2 4.28Å
268R93.4Very high77.2Confident19 Ų1968.3 Ų68.37%0.07235%0.348CS..EExtended strand (participates in β ladder)trans-104.7135.2-178.5-58.9-175.9176.5-170.9-5.3109.7D229 V245 M246 E266 F270 E277 R280D229-R268 IonicContact OD2-CZ 3.53Å; D229-R268 IonicContact OD2-NH1 2.76Å; D229-R268 PolarHBondContact OD2-NH1 2.97Å; D229-R268 IonicContact OD2-NH2 2.87Å; D229-R268 PolarHBondContact OD2-NH2 3.21Å; D229-R268 VanDerWaalsContact OD2-NH2 3.17Å; V245-R268 WeakPolarHBondContact CA-O 3.2Å; M246-R268 PolarHBondContact N-O 3.4Å; M246-R268 PolarHBondContact O-N 3.05Å; E266-R268 HydrophobicContact CG-CG 4.22Å; E266-R268 IonicContact OE1-CZ 2.67Å; E266-R268 IonicContact OE1-NE 2.88Å; E266-R268 PolarHBondContact OE1-NE 3.27Å; E266-R268 IonicContact OE1-NH2 3.28Å; E266-R268 PolarHBondContact OE1-NH2 3.39Å; R268-F270 HydrophobicContact CB-CD2 4.2Å; R268-F270 HydrophobicContact CB-CE2 3.69Å; R268-E277 WeakPolarHBondContact CD-OE1 3.47Å; R268-E277 WeakPolarHBondContact CG-OE1 3.41Å; R268-R280 HydrophobicContact CG-CG 4.45Å
269F93.8Very high79.4Confident4 Ų463.1 Ų63.12%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-109.2127.6179-73.8-92.2000109.8V244 V245 E277 F278 G279 V281 F293 Y300 F314V244-F269 WeakPolarHBondContact O-CA 3.23Å; V245-F269 HydrophobicContact CB-CD1 4.18Å; V245-F269 HydrophobicContact CB-CE1 3.86Å; V245-F269 HydrophobicContact CB-CZ 4.24Å; V245-F269 HydrophobicContact CG2-CD1 4.18Å; V245-F269 HydrophobicContact CG2-CD2 4.38Å; V245-F269 HydrophobicContact CG2-CE1 3.74Å; V245-F269 HydrophobicContact CG2-CE2 3.94Å; V245-F269 HydrophobicContact CG2-CG 4.49Å; V245-F269 HydrophobicContact CG2-CZ 3.6Å; F269-E277 WeakPolarHBondContact O-CA 3.48Å; F269-F278 HydrophobicContact CB-CD1 4.26Å; F269-F278 HydrophobicContact CB-CE1 3.72Å; F269-F278 HydrophobicContact CB-CE2 4Å; F269-F278 HydrophobicContact CB-CZ 3.58Å; F269-F278 HydrophobicContact CD1-CZ 4.3Å; F269-F278 HydrophobicContact CG-CZ 4.28Å; F269-F278 PolarHBondContact O-N 2.88Å; F269-G279 PolarHBondContact N-O 2.87Å; F269-V281 HydrophobicContact CD2-CG2 4.14Å; F269-V281 HydrophobicContact CE2-CB 4.3Å; F269-V281 HydrophobicContact CE2-CG2 3.57Å; F269-F293 HydrophobicContact CE1-CE1 4.44Å; F269-F293 HydrophobicContact CE1-CZ 4.15Å; F269-Y300 HydrophobicContact CE2-CE1 4.12Å; F269-Y300 AromaticContact CE2-CZ 3.96Å; F269-Y300 AromaticContact CZ-CD1 3.91Å; F269-Y300 HydrophobicContact CZ-CD1 3.91Å; F269-Y300 HydrophobicContact CZ-CD2 4.49Å; F269-Y300 AromaticContact CZ-CE1 3.49Å; F269-Y300 HydrophobicContact CZ-CE1 3.49Å; F269-Y300 VanDerWaalsContact CZ-CE1 3.49Å; F269-Y300 HydrophobicContact CZ-CE2 4.16Å; F269-Y300 HydrophobicContact CZ-CG 4.37Å; F269-Y300 AromaticContact CZ-CZ 3.64Å; F269-F314 HydrophobicContact CE1-CE1 4.06Å; F269-F314 AromaticContact CE1-CZ 3.93Å; F269-F314 HydrophobicContact CE1-CZ 3.93Å; F269-F314 HydrophobicContact CZ-CE1 4.1Å; F269-F314 HydrophobicContact CZ-CZ 4.13Å
270F93.9Very high81.7Confident10 Ų1063.8 Ų63.84%0.04431%0.306CS..EExtended strand (participates in β ladder)trans-122.7147.5178.8-74.4-110.5000110.1F226 T228 H243 V244 M246 R268 E275 E276 E277F226-F270 HydrophobicContact CB-CD1 4.41Å; F226-F270 HydrophobicContact CD1-CB 3.91Å; F226-F270 HydrophobicContact CD1-CD1 4.09Å; F226-F270 HydrophobicContact CD1-CG 4.24Å; F226-F270 HydrophobicContact CE1-CB 4.32Å; T228-F270 HydrophobicContact CG2-CE2 4.13Å; T228-F270 HydrophobicContact CG2-CZ 4.04Å; H243-F270 CarbonylContact C-O 3.55Å; H243-F270 WeakPolarHBondContact CA-O 2.92Å; V244-F270 HydrophobicContact CG2-CB 3.67Å; V244-F270 PolarHBondContact N-O 2.91Å; V244-F270 PolarHBondContact O-N 2.88Å; M246-F270 HydrophobicContact CE-CB 4.15Å; M246-F270 HydrophobicContact CE-CD1 4.18Å; M246-F270 HydrophobicContact CE-CD2 2.96Å; M246-F270 HydrophobicContact CE-CE1 4.31Å; M246-F270 HydrophobicContact CE-CE2 3.13Å; M246-F270 HydrophobicContact CE-CG 3.52Å; M246-F270 HydrophobicContact CE-CZ 3.83Å; R268-F270 HydrophobicContact CB-CD2 4.2Å; R268-F270 HydrophobicContact CB-CE2 3.69Å; F270-E275 WeakPolarHBondContact CD1-O 3.3Å; F270-E276 CarbonylContact C-O 3.6Å; F270-E276 VanDerWaalsContact CA-O 3.23Å; F270-E276 WeakPolarHBondContact CA-O 3.27Å; F270-E277 HydrophobicContact CD1-CB 4.08Å; F270-E277 HydrophobicContact CD2-CB 4.41Å; F270-E277 HydrophobicContact CD2-CG 4.45Å; F270-E277 HydrophobicContact CE1-CB 3.77Å; F270-E277 HydrophobicContact CE2-CB 4.14Å; F270-E277 HydrophobicContact CE2-CG 4.12Å; F270-E277 HydrophobicContact CG-CB 4.41Å; F270-E277 HydrophobicContact CZ-CB 3.81Å; F270-E277 HydrophobicContact CZ-CG 4.21Å
271H92.1Very high84.1Confident26 Ų2659.6 Ų59.612%0.1228%0.281CS..EExtended strand (participates in β ladder)trans-78124.4169.1-164.8-65.1000109.4H243 A273 Y274 E275 E276 L323H243-H271 AromaticContact NE2-CD2 3.97Å; H271-A273 VanDerWaalsContact C-N 3.34Å; H271-A273 PolarHBondContact ND1-N 2.9Å; H271-A273 VanDerWaalsContact ND1-N 3.19Å; H271-A273 PolarHBondContact O-N 3.23Å; H271-Y274 HydrophobicContact CB-CD2 4.26Å; H271-Y274 AromaticContact CD2-CD2 3.85Å; H271-Y274 AromaticContact CE1-CD2 3.54Å; H271-Y274 AromaticContact CE1-CE2 3.64Å; H271-Y274 AromaticContact CG-CD2 3.57Å; H271-Y274 AromaticContact ND1-CD2 3.37Å; H271-Y274 WeakPolarHBondContact ND1-CD2 3.45Å; H271-Y274 AromaticContact ND1-CE2 3.97Å; H271-Y274 AromaticContact NE2-CD2 3.81Å; H271-Y274 AromaticContact NE2-CE2 3.78Å; H271-Y274 PolarHBondContact O-N 2.95Å; H271-E275 WeakPolarHBondContact O-CA 3.44Å; H271-E275 PolarHBondContact O-N 3.29Å; H271-E276 PolarHBondContact N-O 3.41Å; H271-L323 HydrophobicContact CB-CD1 4.05Å
272A88.1Confident86.1Confident16 Ų1655.3 Ų55.313%0.13227%0.269CS..THydrogen-bonded Turntrans-62.1-40.5-174.100000112.1D242 V244D242-A272 HydrophobicContact CB-CB 4.36Å; D242-A272 VanDerWaalsContact O-CB 3.28Å; D242-A272 WeakPolarHBondContact O-CB 3.21Å; D242-A272 PolarHBondContact O-N 2.62Å; V244-A272 HydrophobicContact CG1-CB 4.15Å
273A87.4Confident87.6Confident44 Ų4451.2 Ų51.236%0.36425%0.253SS..THydrogen-bonded Turntrans-72.4-45.1178.700000114.4K224 H271K224-A273 WeakPolarHBondContact CE-O 3.31Å; K224-A273 PolarHBondContact NZ-O 2.81Å; H271-A273 VanDerWaalsContact C-N 3.34Å; H271-A273 PolarHBondContact ND1-N 2.9Å; H271-A273 VanDerWaalsContact ND1-N 3.19Å; H271-A273 PolarHBondContact O-N 3.23Å
274Y87.4Confident88.9Confident136 Ų13650.3 Ų50.353%0.53324%0.243SC..THydrogen-bonded Turntrans-93.6-13.1-171.2-58-64000114.6H271 E276H271-Y274 HydrophobicContact CB-CD2 4.26Å; H271-Y274 AromaticContact CD2-CD2 3.85Å; H271-Y274 AromaticContact CE1-CD2 3.54Å; H271-Y274 AromaticContact CE1-CE2 3.64Å; H271-Y274 AromaticContact CG-CD2 3.57Å; H271-Y274 AromaticContact ND1-CD2 3.37Å; H271-Y274 WeakPolarHBondContact ND1-CD2 3.45Å; H271-Y274 AromaticContact ND1-CE2 3.97Å; H271-Y274 AromaticContact NE2-CD2 3.81Å; H271-Y274 AromaticContact NE2-CE2 3.78Å; H271-Y274 PolarHBondContact O-N 2.95Å; Y274-E276 PolarHBondContact O-N 2.89Å
275E89.2Confident89.4Confident77 Ų7749.5 Ų49.536%0.3624%0.24SC..  trans62.817.2-175.7-49.1-179.2158.600114.1K224 T225 F226 F270 H271K224-E275 WeakPolarHBondContact CA-OE1 3.19Å; K224-E275 HydrophobicContact CB-CG 4.37Å; K224-E275 WeakPolarHBondContact CB-OE1 3.05Å; K224-E275 HydrophobicContact CD-CG 3.81Å; K224-E275 WeakPolarHBondContact CD-OE1 3.33Å; T225-E275 PolarHBondContact N-OE1 3.34Å; F226-E275 HydrophobicContact CD1-CB 4.21Å; F226-E275 HydrophobicContact CD1-CG 4.36Å; F226-E275 HydrophobicContact CE1-CB 4.33Å; F226-E275 HydrophobicContact CE1-CG 4.14Å; F270-E275 WeakPolarHBondContact CD1-O 3.3Å; H271-E275 WeakPolarHBondContact O-CA 3.44Å; H271-E275 PolarHBondContact O-N 3.29Å
276E89.2Confident89.4Confident110 Ų11048.9 Ų48.951%0.51424%0.24SC..  trans-94.7138.1-178.8-65.4-167.3162.500112.3F270 H271 Y274F270-E276 CarbonylContact C-O 3.6Å; F270-E276 VanDerWaalsContact CA-O 3.23Å; F270-E276 WeakPolarHBondContact CA-O 3.27Å; H271-E276 PolarHBondContact N-O 3.41Å; Y274-E276 PolarHBondContact O-N 2.89Å
277E90.4Very high89.4Confident64 Ų6448 Ų4830%0.29924%0.236SC..EExtended strand (participates in β ladder)trans-80.2121.2173.8-176.1177.8-163.100110R268 F269 F270 R280R268-E277 WeakPolarHBondContact CD-OE1 3.47Å; R268-E277 WeakPolarHBondContact CG-OE1 3.41Å; F269-E277 WeakPolarHBondContact O-CA 3.48Å; F270-E277 HydrophobicContact CD1-CB 4.08Å; F270-E277 HydrophobicContact CD2-CB 4.41Å; F270-E277 HydrophobicContact CD2-CG 4.45Å; F270-E277 HydrophobicContact CE1-CB 3.77Å; F270-E277 HydrophobicContact CE2-CB 4.14Å; F270-E277 HydrophobicContact CE2-CG 4.12Å; F270-E277 HydrophobicContact CG-CB 4.41Å; F270-E277 HydrophobicContact CZ-CB 3.81Å; F270-E277 HydrophobicContact CZ-CG 4.21Å; E277-R280 VanDerWaalsContact CD-NE 3.28Å; E277-R280 WeakPolarHBondContact OE1-CD 3.38Å; E277-R280 WeakPolarHBondContact OE1-CG 3.24Å; E277-R280 IonicContact OE1-CZ 2.88Å; E277-R280 IonicContact OE1-NE 2.89Å; E277-R280 PolarHBondContact OE1-NE 3.14Å; E277-R280 IonicContact OE1-NH2 3.43Å; E277-R280 IonicContact OE2-CZ 2.74Å; E277-R280 IonicContact OE2-NE 3.63Å; E277-R280 PolarHBondContact OE2-NE 2.97Å; E277-R280 IonicContact OE2-NH2 3.45Å; E277-R280 PolarHBondContact OE2-NH2 3.25Å
278F89.6Confident89.5Confident50 Ų5048 Ų4822%0.21924%0.236CC..EExtended strand (participates in β ladder)trans-114.2-14.218071.4-92.7000113.5H243 F269 Y318 F321 L323H243-F278 HydrophobicContact CB-CE1 4.25Å; H243-F278 HydrophobicContact CB-CZ 4.27Å; H243-F278 AromaticContact CD2-CE1 3.58Å; H243-F278 AromaticContact CD2-CZ 3.82Å; H243-F278 AromaticContact CE1-CZ 3.6Å; H243-F278 AromaticContact CG-CE1 3.73Å; H243-F278 AromaticContact CG-CZ 3.63Å; H243-F278 AromaticContact ND1-CZ 3.48Å; H243-F278 WeakPolarHBondContact ND1-CZ 3.38Å; H243-F278 AromaticContact NE2-CE1 3.84Å; H243-F278 AromaticContact NE2-CZ 3.8Å; F269-F278 HydrophobicContact CB-CD1 4.26Å; F269-F278 HydrophobicContact CB-CE1 3.72Å; F269-F278 HydrophobicContact CB-CE2 4Å; F269-F278 HydrophobicContact CB-CZ 3.58Å; F269-F278 HydrophobicContact CD1-CZ 4.3Å; F269-F278 HydrophobicContact CG-CZ 4.28Å; F269-F278 PolarHBondContact O-N 2.88Å; F278-Y318 AromaticContact CE2-CE2 3.86Å; F278-Y318 HydrophobicContact CE2-CE2 3.86Å; F278-Y318 HydrophobicContact CZ-CE2 4.09Å; F278-F321 HydrophobicContact CB-CE1 3.98Å; F278-F321 HydrophobicContact CB-CZ 4.17Å; F278-F321 HydrophobicContact CD2-CD1 4.14Å; F278-F321 AromaticContact CD2-CE1 3.69Å; F278-F321 HydrophobicContact CD2-CE1 3.69Å; F278-F321 HydrophobicContact CD2-CZ 4.28Å; F278-F321 HydrophobicContact CE2-CD1 4.38Å; F278-F321 HydrophobicContact CE2-CE1 4.36Å; F278-F321 AromaticContact CG-CE1 3.93Å; F278-F321 HydrophobicContact CG-CE1 3.93Å; F278-L323 HydrophobicContact CB-CD1 4.19Å
279G88.6Confident89.5Confident21 Ų2148.9 Ų48.922%0.21624%0.242CC..EExtended strand (participates in β ladder)trans-153.1142.3-173.600000114.4F269F269-G279 PolarHBondContact N-O 2.87Å
280R91.2Very high89.5Confident120 Ų12049 Ų4945%0.45324%0.243SC..EExtended strand (participates in β ladder)trans-128.3123.4172.7-68.3175179.8-155.211109.7E266 A267 R268 E277E266-R280 WeakPolarHBondContact OE1-CD 3.37Å; E266-R280 IonicContact OE1-CZ 3.66Å; E266-R280 IonicContact OE1-NE 3.85Å; E266-R280 IonicContact OE1-NH1 3.3Å; E266-R280 PolarHBondContact OE1-NH1 2.96Å; E266-R280 WeakPolarHBondContact OE2-CD 3.42Å; A267-R280 WeakPolarHBondContact O-CA 3.38Å; R268-R280 HydrophobicContact CG-CG 4.45Å; E277-R280 VanDerWaalsContact CD-NE 3.28Å; E277-R280 WeakPolarHBondContact OE1-CD 3.38Å; E277-R280 WeakPolarHBondContact OE1-CG 3.24Å; E277-R280 IonicContact OE1-CZ 2.88Å; E277-R280 IonicContact OE1-NE 2.89Å; E277-R280 PolarHBondContact OE1-NE 3.14Å; E277-R280 IonicContact OE1-NH2 3.43Å; E277-R280 IonicContact OE2-CZ 2.74Å; E277-R280 IonicContact OE2-NE 3.63Å; E277-R280 PolarHBondContact OE2-NE 2.97Å; E277-R280 IonicContact OE2-NH2 3.45Å; E277-R280 PolarHBondContact OE2-NH2 3.25Å
281V90.7Very high89.6Confident30 Ų3048.5 Ų48.518%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-108.7109.8176.3-177.40000109.5E266 A267 F269 Y300E266-V281 CarbonylContact C-O 3.59Å; E266-V281 VanDerWaalsContact CA-O 3.22Å; E266-V281 WeakPolarHBondContact CA-O 3.32Å; A267-V281 PolarHBondContact N-O 3.45Å; A267-V281 PolarHBondContact O-N 2.81Å; F269-V281 HydrophobicContact CD2-CG2 4.14Å; F269-V281 HydrophobicContact CE2-CB 4.3Å; F269-V281 HydrophobicContact CE2-CG2 3.57Å; V281-Y300 WeakPolarHBondContact CB-OH 3.37Å; V281-Y300 WeakPolarHBondContact CG1-OH 3.21Å; V281-Y300 WeakPolarHBondContact CG2-OH 3.47Å
282K88.9Confident89.7Confident139 Ų13947.4 Ų47.460%0.60424%0.237SC*.EExtended strand (participates in β ladder)trans-87.4149.9176.7-64.9177.5-176.1175.60110.3E266E266-K282 HydrophobicContact CB-CG 4.02Å; E266-K282 WeakPolarHBondContact OE2-CE 3.34Å
283G83.7Confident90Very high23 Ų2347.6 Ų47.624%0.23724%0.235CC..EExtended strand (participates in β ladder)trans166.2-23.9171.600000114.6R310G283-R310 PolarHBondContact O-NE 3.07Å; G283-R310 PolarHBondContact O-NH2 3.25Å
284H87.6Confident90.3Very high2 Ų246.2 Ų46.21%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-79.5136.5179.1-74.4-89.2000111.8G263 F265 G286 I288 S302 G304 D306 R310G263-H284 CarbonylContact C-O 3.56Å; G263-H284 WeakPolarHBondContact CA-O 3.22Å; F265-H284 HydrophobicContact CB-CB 4.03Å; F265-H284 PolarHBondContact N-O 3.38Å; H284-G286 WeakPolarHBondContact CB-O 3.14Å; H284-I288 HydrophobicContact CB-CG1 4.06Å; H284-S302 PolarHBondContact CE1-O 2.67Å; H284-S302 VanDerWaalsContact CE1-O 3.29Å; H284-S302 VanDerWaalsContact NE2-CB 3.31Å; H284-S302 WeakPolarHBondContact NE2-CB 3.14Å; H284-S302 PolarHBondContact NE2-OG 2.93Å; H284-G304 PolarHBondContact CE1-N 2.92Å; H284-G304 WeakPolarHBondContact ND1-CA 3.29Å; H284-D306 IonicContact ND1-OD1 2.81Å; H284-R310 PolarHBondContact CE1-NH1 3.5Å; H284-R310 PolarHBondContact ND1-NH1 3.2Å
285F84.3Confident90.5Very high104 Ų10441.1 Ų41.146%0.45620%0.204SC..SBendtrans-86-20.3177.5-64-73.7000112.7F265 D306F265-F285 WeakPolarHBondContact CD2-O 3.13Å; F265-F285 WeakPolarHBondContact CE2-O 3.46Å; F285-D306 HydrophobicContact CB-CB 4.14Å; F285-D306 PolarHBondContact N-OD2 2.9Å; F285-D306 VanDerWaalsContact N-OD2 3.1Å
286G85.9Confident90.5Very high10 Ų1041 Ų4110%0.10321%0.206CC..SBendtrans-123.5176172.800000112F265 H284F265-G286 WeakPolarHBondContact CB-O 3.46Å; F265-G286 VanDerWaalsContact CD2-CA 3.46Å; F265-G286 VanDerWaalsContact CD2-O 3.24Å; F265-G286 WeakPolarHBondContact CD2-O 3.46Å; F265-G286 WeakPolarHBondContact CG-O 3.47Å; H284-G286 WeakPolarHBondContact CB-O 3.14Å
287P90.3Very high90.5Very high2 Ų235.8 Ų35.81%0.01318%0.181CC..  trans-48.2140.3171.9-27.735.4000112.2Q250 F265 N289 G304 E305Q250-P287 VanDerWaalsContact O-CG 3.28Å; Q250-P287 WeakPolarHBondContact O-CG 3.27Å; F265-P287 HydrophobicContact CD1-CB 4.42Å; F265-P287 HydrophobicContact CD1-CG 4.32Å; F265-P287 HydrophobicContact CE1-CB 4.27Å; F265-P287 HydrophobicContact CE1-CG 3.73Å; F265-P287 HydrophobicContact CZ-CG 3.92Å; P287-N289 PolarHBondContact O-N 2.93Å; P287-G304 CarbonylContact O-C 3.41Å; P287-G304 WeakPolarHBondContact O-CA 3.44Å; P287-E305 VanDerWaalsContact CD-OE2 3.25Å; P287-E305 WeakPolarHBondContact CD-OE2 3.42Å; P287-E305 WeakPolarHBondContact CG-OE2 3.22Å; P287-E305 PolarHBondContact O-N 2.84Å
288I93.4Very high90.5Very high0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-79.2121.1171.9-56.2176.8000106.6N233 G248 A267 H284 C290 V291N233-I288 VanDerWaalsContact CB-O 3.31Å; N233-I288 WeakPolarHBondContact CB-O 3.25Å; N233-I288 PolarHBondContact ND2-O 2.81Å; G248-I288 PolarHBondContact O-N 2.81Å; A267-I288 HydrophobicContact CB-CD1 3.91Å; H284-I288 HydrophobicContact CB-CG1 4.06Å; I288-C290 WeakPolarHBondContact CG2-O 3.26Å; I288-V291 HydrophobicContact CG2-CG1 3.71Å
289N93.4Very high90.6Very high39 Ų3936.1 Ų36.121%0.20918%0.182CC..EExtended strand (participates in β ladder)trans-91.2-38.2-178.6-72.9-20000111.6I13 S234 P287 G303I13-N289 VanDerWaalsContact O-CB 3.3Å; I13-N289 WeakPolarHBondContact O-CB 3.45Å; I13-N289 PolarHBondContact O-ND2 3.3Å; S234-N289 WeakPolarHBondContact CB-O 3.39Å; P287-N289 PolarHBondContact O-N 2.93Å; N289-G303 PolarHBondContact N-O 2.86Å
290C93.9Very high90.9Very high5 Ų535.1 Ų35.13%0.03417%0.172CC..EExtended strand (participates in β ladder)trans-140.1147-179.657.40000111.5I13 I16 I288 S302 G303I13-C290 VanDerWaalsContact CG2-SG 3.6Å; I16-C290 VanDerWaalsContact CG1-SG 3.57Å; I288-C290 WeakPolarHBondContact CG2-O 3.26Å; C290-S302 WeakPolarHBondContact O-CA 3.07Å; C290-G303 PolarHBondContact N-O 3.44Å; C290-G303 PolarHBondContact O-N 2.87Å
291V95.6Very high91.1Very high0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-130.3146.2170.1-68.10000108.8Q195 S234 A236 V245 I288 S301Q195-V291 PolarHBondContact NE2-O 3.24Å; S234-V291 WeakPolarHBondContact OG-CG2 3.34Å; S234-V291 PolarHBondContact OG-N 3.24Å; A236-V291 HydrophobicContact CB-CG2 4.14Å; V245-V291 HydrophobicContact CG1-CB 4.13Å; V245-V291 HydrophobicContact CG1-CG2 4.01Å; I288-V291 HydrophobicContact CG2-CG1 3.71Å; V291-S301 WeakPolarHBondContact CA-O 3.22Å
292A94.9Very high91.3Very high4 Ų428 Ų283%0.03314%0.142CC..EExtended strand (participates in β ladder)trans-145.8136.3176.100000109.4I16 Y18 Y300 S301I16-A292 HydrophobicContact CG2-CB 4.15Å; Y18-A292 HydrophobicContact CD2-CB 3.92Å; Y18-A292 HydrophobicContact CE2-CB 4.08Å; A292-Y300 CarbonylContact O-C 3.49Å; A292-Y300 WeakPolarHBondContact O-CA 3.41Å; A292-S301 PolarHBondContact N-O 3.15Å; A292-S301 PolarHBondContact O-N 3.33Å
293F94.9Very high91.5Very high20 Ų2021.4 Ų21.49%0.08811%0.113CC..EExtended strand (participates in β ladder)trans-85.4144.8169.1-82.7-75.5000110.5Y18 A236 I237 P239 V245 F269 F314Y18-F293 VanDerWaalsContact CD2-O 3.24Å; Y18-F293 WeakPolarHBondContact CD2-O 3.35Å; A236-F293 HydrophobicContact CB-CD2 3.62Å; A236-F293 HydrophobicContact CB-CE2 4.14Å; A236-F293 WeakPolarHBondContact O-CE2 3.49Å; I237-F293 WeakPolarHBondContact O-CD2 3.26Å; P239-F293 HydrophobicContact CG-CB 4.4Å; V245-F293 HydrophobicContact CB-CE2 3.71Å; V245-F293 HydrophobicContact CB-CZ 3.67Å; V245-F293 HydrophobicContact CG1-CD2 3.85Å; V245-F293 HydrophobicContact CG1-CE2 3.19Å; V245-F293 HydrophobicContact CG1-CZ 3.59Å; F269-F293 HydrophobicContact CE1-CE1 4.44Å; F269-F293 HydrophobicContact CE1-CZ 4.15Å; F293-F314 HydrophobicContact CD1-CE2 4.36Å; F293-F314 AromaticContact CE1-CE2 3.97Å; F293-F314 HydrophobicContact CE1-CE2 3.97Å; F293-F314 AromaticContact CE1-CZ 3.89Å; F293-F314 HydrophobicContact CE1-CZ 3.89Å
294H93.8Very high91.9Very high15 Ų1520.3 Ų20.37%0.06910%0.101CC..  trans-65.4143.7163.9-173.7-71.4000109Y18 G22 P239 D296 G297 S299Y18-H294 HydrophobicContact CD1-CB 4.34Å; Y18-H294 AromaticContact CD1-CD2 3.93Å; Y18-H294 HydrophobicContact CE1-CB 4.01Å; Y18-H294 AromaticContact CE1-CD2 3.65Å; Y18-H294 HydrophobicContact CE2-CB 4.46Å; G22-H294 WeakPolarHBondContact CA-NE2 3.04Å; G22-H294 PolarHBondContact O-CD2 2.97Å; G22-H294 VanDerWaalsContact O-CD2 3.31Å; G22-H294 PolarHBondContact O-NE2 2.58Å; P239-H294 WeakPolarHBondContact CG-O 3.13Å; H294-D296 VanDerWaalsContact C-N 3.32Å; H294-D296 IonicContact CE1-OD1 2.74Å; H294-D296 IonicContact CE1-OD2 3.3Å; H294-D296 WeakPolarHBondContact ND1-CB 3.48Å; H294-D296 PolarHBondContact ND1-N 3.43Å; H294-D296 PolarHBondContact O-N 2.97Å; H294-G297 WeakPolarHBondContact O-CA 3.15Å; H294-G297 PolarHBondContact O-N 3.06Å; H294-S299 WeakPolarHBondContact CB-O 3.49Å; H294-S299 VanDerWaalsContact CB-OG 3.26Å; H294-S299 WeakPolarHBondContact CB-OG 3.43Å; H294-S299 PolarHBondContact CD2-OG 3.13Å; H294-S299 PolarHBondContact N-O 2.96Å
295P91.1Very high92Very high29 Ų2923.1 Ų23.119%0.18812%0.115CC..THydrogen-bonded Turntrans-54.1-42.1178.6-25.130.4000114.3N19 R20 P239 G297N19-P295 WeakPolarHBondContact O-CG 3.45Å; R20-P295 WeakPolarHBondContact O-CB 3.22Å; R20-P295 WeakPolarHBondContact O-CG 3.28Å; P239-P295 WeakPolarHBondContact CB-O 3.23Å; P239-P295 WeakPolarHBondContact CG-O 3.43Å; P295-G297 PolarHBondContact O-N 3.46Å
296D89.4Confident92Very high74 Ų7419.9 Ų19.940%0.39610%0.102SC..THydrogen-bonded Turntrans-67.1-4.9171-64.43.7000115.4I240 H294 K298I240-D296 WeakPolarHBondContact CD1-O 3.38Å; H294-D296 VanDerWaalsContact C-N 3.32Å; H294-D296 IonicContact CE1-OD1 2.74Å; H294-D296 IonicContact CE1-OD2 3.3Å; H294-D296 WeakPolarHBondContact ND1-CB 3.48Å; H294-D296 PolarHBondContact ND1-N 3.43Å; H294-D296 PolarHBondContact O-N 2.97Å; D296-K298 HydrophobicContact CB-CD 4.34Å; D296-K298 HydrophobicContact CB-CG 4.28Å; D296-K298 PolarHBondContact O-N 3.22Å
297G88.6Confident92.1Very high0 Ų019.4 Ų19.40%010%0.097CC..SBendtrans63.22.8-177.200000116.1H294 P295 F314H294-G297 WeakPolarHBondContact O-CA 3.15Å; H294-G297 PolarHBondContact O-N 3.06Å; P295-G297 PolarHBondContact O-N 3.46Å; G297-F314 VanDerWaalsContact O-CD2 3.25Å; G297-F314 WeakPolarHBondContact O-CD2 3.44Å; G297-F314 WeakPolarHBondContact O-CE2 3.31Å
298K90.2Very high92.2Very high121 Ų12122.9 Ų22.953%0.52611%0.111SC..SBendtrans-80.5-16-179.2-68.8175.4-172.1161.80114.6D296 F314 F319D296-K298 HydrophobicContact CB-CD 4.34Å; D296-K298 HydrophobicContact CB-CG 4.28Å; D296-K298 PolarHBondContact O-N 3.22Å; K298-F314 VanDerWaalsContact C-CD2 3.44Å; K298-F314 VanDerWaalsContact O-CD2 3.32Å; K298-F314 WeakPolarHBondContact O-CD2 3.13Å; K298-F314 PolarHBondContact O-N 3.38Å; K298-F319 HydrophobicContact CG-CZ 4.37Å
299S92.2Very high92.2Very high1 Ų123 Ų231%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-143.2162.2174.363.10000110.7H294 H312H294-S299 WeakPolarHBondContact CB-O 3.49Å; H294-S299 VanDerWaalsContact CB-OG 3.26Å; H294-S299 WeakPolarHBondContact CB-OG 3.43Å; H294-S299 PolarHBondContact CD2-OG 3.13Å; H294-S299 PolarHBondContact N-O 2.96Å; S299-H312 CarbonylContact C-O 3.33Å; S299-H312 WeakPolarHBondContact CA-O 3.22Å; S299-H312 WeakPolarHBondContact CB-O 3.42Å
300Y94.5Very high92.3Very high0 Ų021.6 Ų21.60%010%0.103CC..EExtended strand (participates in β ladder)trans-137.6149.4168.181.3-80.6000110.1V245 A267 F269 V281 A292 H312 F314V245-Y300 HydrophobicContact CG2-CD2 4.49Å; V245-Y300 HydrophobicContact CG2-CE2 4.44Å; A267-Y300 HydrophobicContact CB-CE2 4.28Å; F269-Y300 HydrophobicContact CE2-CE1 4.12Å; F269-Y300 AromaticContact CE2-CZ 3.96Å; F269-Y300 AromaticContact CZ-CD1 3.91Å; F269-Y300 HydrophobicContact CZ-CD1 3.91Å; F269-Y300 HydrophobicContact CZ-CD2 4.49Å; F269-Y300 AromaticContact CZ-CE1 3.49Å; F269-Y300 HydrophobicContact CZ-CE1 3.49Å; F269-Y300 VanDerWaalsContact CZ-CE1 3.49Å; F269-Y300 HydrophobicContact CZ-CE2 4.16Å; F269-Y300 HydrophobicContact CZ-CG 4.37Å; F269-Y300 AromaticContact CZ-CZ 3.64Å; V281-Y300 WeakPolarHBondContact CB-OH 3.37Å; V281-Y300 WeakPolarHBondContact CG1-OH 3.21Å; V281-Y300 WeakPolarHBondContact CG2-OH 3.47Å; A292-Y300 CarbonylContact O-C 3.49Å; A292-Y300 WeakPolarHBondContact O-CA 3.41Å; Y300-H312 HydrophobicContact CD1-CB 3.57Å; Y300-H312 HydrophobicContact CE1-CB 3.19Å; Y300-H312 AromaticContact CE1-CG 3.53Å; Y300-H312 AromaticContact CE1-ND1 3.95Å; Y300-H312 HydrophobicContact CE2-CB 4.48Å; Y300-H312 AromaticContact CE2-ND1 3.7Å; Y300-H312 HydrophobicContact CG-CB 4.37Å; Y300-H312 AromaticContact CZ-CD2 3.92Å; Y300-H312 AromaticContact CZ-CE1 3.98Å; Y300-H312 AromaticContact CZ-CG 3.45Å; Y300-H312 VanDerWaalsContact CZ-CG 3.45Å; Y300-H312 AromaticContact CZ-ND1 3.49Å; Y300-H312 PolarHBondContact N-O 2.68Å; Y300-H312 PolarHBondContact O-N 3.3Å; Y300-H312 PolarHBondContact OH-CD2 3.45Å; Y300-F314 AromaticContact CD1-CE1 3.84Å; Y300-F314 HydrophobicContact CD1-CE1 3.84Å; Y300-F314 AromaticContact CD1-CE2 3.95Å; Y300-F314 HydrophobicContact CD1-CE2 3.95Å; Y300-F314 AromaticContact CD1-CZ 3.31Å; Y300-F314 HydrophobicContact CD1-CZ 3.31Å; Y300-F314 HydrophobicContact CE1-CE1 4.06Å; Y300-F314 AromaticContact CE1-CZ 3.99Å; Y300-F314 HydrophobicContact CE1-CZ 3.99Å; Y300-F314 HydrophobicContact CG-CZ 4.15Å
301S95.3Very high92.3Very high0 Ų021.3 Ų21.30%010%0.101CC..EExtended strand (participates in β ladder)trans-109.9149.3175.7-75.90000111.1Y18 L25 V291 A292 R310Y18-S301 WeakPolarHBondContact OH-CB 3.38Å; Y18-S301 PolarHBondContact OH-N 3.42Å; Y18-S301 PolarHBondContact OH-OG 3.46Å; L25-S301 WeakPolarHBondContact CD2-OG 3.27Å; V291-S301 WeakPolarHBondContact CA-O 3.22Å; A292-S301 PolarHBondContact N-O 3.15Å; A292-S301 PolarHBondContact O-N 3.33Å; S301-R310 WeakPolarHBondContact CA-O 3.44Å
302S95.1Very high92.2Very high0 Ų021.4 Ų21.40%010%0.102CC..EExtended strand (participates in β ladder)trans-140.4133.5176.150.90000109.9H284 C290 R310 H312H284-S302 PolarHBondContact CE1-O 2.67Å; H284-S302 VanDerWaalsContact CE1-O 3.29Å; H284-S302 VanDerWaalsContact NE2-CB 3.31Å; H284-S302 WeakPolarHBondContact NE2-CB 3.14Å; H284-S302 PolarHBondContact NE2-OG 2.93Å; C290-S302 WeakPolarHBondContact O-CA 3.07Å; S302-R310 PolarHBondContact N-O 3.21Å; S302-R310 PolarHBondContact O-N 3.3Å; S302-R310 PolarHBondContact OG-O 2.94Å; S302-H312 PolarHBondContact OG-CE1 3.14Å; S302-H312 VanDerWaalsContact OG-CE1 3.27Å
303G94.3Very high92Very high0 Ų024.5 Ų24.50%011%0.113CC..EExtended strand (participates in β ladder)trans-110.8123.5-17900000110.4I16 N289 C290I16-G303 VanDerWaalsContact CD1-CA 3.45Å; I16-G303 VanDerWaalsContact CD1-N 3.27Å; N289-G303 PolarHBondContact N-O 2.86Å; C290-G303 PolarHBondContact N-O 3.44Å; C290-G303 PolarHBondContact O-N 2.87Å
304G90.6Very high91.8Very high0 Ų024.3 Ų24.30%011%0.112CC..EExtended strand (participates in β ladder)trans-97.6161.9-177.900000113.2I13 H284 P287 D306 G307 Y308I13-G304 PolarHBondContact N-O 3.39Å; I13-G304 VanDerWaalsContact N-O 3.14Å; H284-G304 PolarHBondContact CE1-N 2.92Å; H284-G304 WeakPolarHBondContact ND1-CA 3.29Å; P287-G304 CarbonylContact O-C 3.41Å; P287-G304 WeakPolarHBondContact O-CA 3.44Å; G304-D306 WeakPolarHBondContact CA-OD1 3.48Å; G304-D306 PolarHBondContact O-N 3.46Å; G304-G307 PolarHBondContact O-N 2.99Å; G304-Y308 PolarHBondContact N-O 3.32Å
305E89.4Confident91.4Very high61 Ų6127.2 Ų27.229%0.28513%0.128SC..THydrogen-bonded Turntrans-63.8-19.2165.7-162.4174.1-170.500112.1S12 P287 G307S12-E305 WeakPolarHBondContact CA-O 3.08Å; S12-E305 WeakPolarHBondContact CB-O 3.36Å; S12-E305 WeakPolarHBondContact OG-CG 3.44Å; S12-E305 PolarHBondContact OG-O 2.9Å; P287-E305 VanDerWaalsContact CD-OE2 3.25Å; P287-E305 WeakPolarHBondContact CD-OE2 3.42Å; P287-E305 WeakPolarHBondContact CG-OE2 3.22Å; P287-E305 PolarHBondContact O-N 2.84Å; E305-G307 PolarHBondContact O-N 2.84Å
306D85.9Confident91.2Very high37 Ų3730.4 Ų30.420%0.19815%0.149CC..THydrogen-bonded Turntrans-69-5.7174.963.50.9000114.4H284 F285 G304 Y308 R310H284-D306 IonicContact ND1-OD1 2.81Å; F285-D306 HydrophobicContact CB-CB 4.14Å; F285-D306 PolarHBondContact N-OD2 2.9Å; F285-D306 VanDerWaalsContact N-OD2 3.1Å; G304-D306 WeakPolarHBondContact CA-OD1 3.48Å; G304-D306 PolarHBondContact O-N 3.46Å; D306-Y308 VanDerWaalsContact C-N 3.29Å; D306-Y308 HydrophobicContact CB-CD2 4.17Å; D306-Y308 PolarHBondContact O-N 2.76Å; D306-Y308 PolarHBondContact OD1-N 3.24Å; D306-R310 IonicContact OD1-NH1 3.61Å; D306-R310 PolarHBondContact OD1-NH1 3.1Å; D306-R310 IonicContact OD2-CZ 3.82Å; D306-R310 VanDerWaalsContact OD2-CZ 3.28Å; D306-R310 IonicContact OD2-NH1 3.38Å; D306-R310 PolarHBondContact OD2-NH1 3.27Å; D306-R310 IonicContact OD2-NH2 3.06Å; D306-R310 PolarHBondContact OD2-NH2 3.22Å
307G88Confident91Very high0 Ų034.4 Ų34.40%017%0.165CC..SBendtrans80.47.817800000114.2R11 G304 E305R11-G307 WeakPolarHBondContact O-CA 3.33Å; G304-G307 PolarHBondContact O-N 2.99Å; E305-G307 PolarHBondContact O-N 2.84Å
308Y91.4Very high90.8Very high75 Ų7535.4 Ų35.429%0.29417%0.169SC..  trans-104.1141175.4-56.2-55.6000111.5L5 Q7 G304 D306L5-Y308 HydrophobicContact CD1-CD2 4.47Å; L5-Y308 HydrophobicContact CD1-CG 4.02Å; Q7-Y308 HydrophobicContact CB-CD1 4.37Å; Q7-Y308 HydrophobicContact CB-CE1 4.3Å; Q7-Y308 HydrophobicContact CG-CD1 3.75Å; Q7-Y308 HydrophobicContact CG-CE1 3.7Å; G304-Y308 PolarHBondContact N-O 3.32Å; D306-Y308 VanDerWaalsContact C-N 3.29Å; D306-Y308 HydrophobicContact CB-CD2 4.17Å; D306-Y308 PolarHBondContact O-N 2.76Å; D306-Y308 PolarHBondContact OD1-N 3.24Å
309V94.3Very high90.5Very high2 Ų232.7 Ų32.71%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-98.4133.1167.5-179.90000108.1L6 I13 I16 L25L6-V309 HydrophobicContact CB-CB 4.12Å; L6-V309 HydrophobicContact CD1-CB 4.22Å; L6-V309 HydrophobicContact CD1-CG1 4.07Å; L6-V309 PolarHBondContact N-O 2.88Å; L6-V309 PolarHBondContact O-N 2.84Å; I13-V309 HydrophobicContact CD1-CG2 3.78Å; I13-V309 HydrophobicContact CG1-CG2 3.87Å; I13-V309 HydrophobicContact CG2-CG2 4.34Å; I16-V309 HydrophobicContact CD1-CB 4.39Å; I16-V309 HydrophobicContact CD1-CG1 3.65Å; I16-V309 HydrophobicContact CD1-CG2 4Å; I16-V309 HydrophobicContact CG1-CG1 4.43Å; I16-V309 HydrophobicContact CG1-CG2 4.36Å; L25-V309 HydrophobicContact CD2-CG1 3.99Å
310R94.2Very high90Very high9 Ų938.8 Ų38.83%0.03419%0.19CC..EExtended strand (participates in β ladder)trans-118.4116.1178.7-68.1174.8-178.673.5-3.8109.5I4 L5 G283 H284 S301 S302 D306 H312I4-R310 WeakPolarHBondContact O-CA 3.47Å; L5-R310 HydrophobicContact CD1-CG 3.61Å; G283-R310 PolarHBondContact O-NE 3.07Å; G283-R310 PolarHBondContact O-NH2 3.25Å; H284-R310 PolarHBondContact CE1-NH1 3.5Å; H284-R310 PolarHBondContact ND1-NH1 3.2Å; S301-R310 WeakPolarHBondContact CA-O 3.44Å; S302-R310 PolarHBondContact N-O 3.21Å; S302-R310 PolarHBondContact O-N 3.3Å; S302-R310 PolarHBondContact OG-O 2.94Å; D306-R310 IonicContact OD1-NH1 3.61Å; D306-R310 PolarHBondContact OD1-NH1 3.1Å; D306-R310 IonicContact OD2-CZ 3.82Å; D306-R310 VanDerWaalsContact OD2-CZ 3.28Å; D306-R310 IonicContact OD2-NH1 3.38Å; D306-R310 PolarHBondContact OD2-NH1 3.27Å; D306-R310 IonicContact OD2-NH2 3.06Å; D306-R310 PolarHBondContact OD2-NH2 3.22Å; R310-H312 VanDerWaalsContact CB-CE1 3.47Å; R310-H312 WeakPolarHBondContact CB-CE1 3.28Å; R310-H312 PolarHBondContact O-ND1 3.17Å
311I94.4Very high89.1Confident0 Ų042.7 Ų42.70%021%0.207CC..EExtended strand (participates in β ladder)trans-91.8125.4172.3-53179.6000107.9P3 I4 L6 L25 Y313P3-I311 CarbonylContact C-O 3.57Å; P3-I311 VanDerWaalsContact CA-O 3.24Å; P3-I311 WeakPolarHBondContact CA-O 3.38Å; I4-I311 HydrophobicContact CB-CB 4.37Å; I4-I311 PolarHBondContact N-O 2.74Å; I4-I311 PolarHBondContact O-N 3.5Å; L6-I311 HydrophobicContact CD1-CD1 3.61Å; L6-I311 HydrophobicContact CD1-CG1 3.88Å; L6-I311 HydrophobicContact CD2-CD1 4.34Å; L6-I311 HydrophobicContact CG-CD1 4.19Å; L6-I311 HydrophobicContact CG-CG1 4.28Å; L25-I311 HydrophobicContact CD2-CD1 3.79Å; L25-I311 HydrophobicContact CD2-CG1 3.87Å; I311-Y313 HydrophobicContact CG2-CD2 4.36Å; I311-Y313 HydrophobicContact CG2-CE2 3.72Å
312H93Very high87.9Confident2 Ų251 Ų511%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-113.8123.6179.5-60.178.8000109.3S299 Y300 S302 R310S299-H312 CarbonylContact C-O 3.33Å; S299-H312 WeakPolarHBondContact CA-O 3.22Å; S299-H312 WeakPolarHBondContact CB-O 3.42Å; Y300-H312 HydrophobicContact CD1-CB 3.57Å; Y300-H312 HydrophobicContact CE1-CB 3.19Å; Y300-H312 AromaticContact CE1-CG 3.53Å; Y300-H312 AromaticContact CE1-ND1 3.95Å; Y300-H312 HydrophobicContact CE2-CB 4.48Å; Y300-H312 AromaticContact CE2-ND1 3.7Å; Y300-H312 HydrophobicContact CG-CB 4.37Å; Y300-H312 AromaticContact CZ-CD2 3.92Å; Y300-H312 AromaticContact CZ-CE1 3.98Å; Y300-H312 AromaticContact CZ-CG 3.45Å; Y300-H312 VanDerWaalsContact CZ-CG 3.45Å; Y300-H312 AromaticContact CZ-ND1 3.49Å; Y300-H312 PolarHBondContact N-O 2.68Å; Y300-H312 PolarHBondContact O-N 3.3Å; Y300-H312 PolarHBondContact OH-CD2 3.45Å; S302-H312 PolarHBondContact OG-CE1 3.14Å; S302-H312 VanDerWaalsContact OG-CE1 3.27Å; R310-H312 VanDerWaalsContact CB-CE1 3.47Å; R310-H312 WeakPolarHBondContact CB-CE1 3.28Å; R310-H312 PolarHBondContact O-ND1 3.17Å
313Y91.1Very high86.5Confident69 Ų6953.5 Ų53.527%0.27126%0.259SS..EExtended strand (participates in β ladder)trans-92126.7172.4-75.2-82.7000110.3M1 I4 S39 V40 I311M1-Y313 WeakPolarHBondContact CB-O 3.4Å; M1-Y313 WeakPolarHBondContact CG-O 3.48Å; I4-Y313 HydrophobicContact CD1-CD2 4.22Å; I4-Y313 HydrophobicContact CD1-CE2 3.61Å; I4-Y313 HydrophobicContact CG1-CD2 4.43Å; I4-Y313 HydrophobicContact CG1-CE2 4.21Å; S39-Y313 PolarHBondContact O-OH 3.33Å; V40-Y313 WeakPolarHBondContact CA-OH 3.24Å; V40-Y313 PolarHBondContact N-OH 2.88Å; V40-Y313 PolarHBondContact O-OH 3.43Å; I311-Y313 HydrophobicContact CG2-CD2 4.36Å; I311-Y313 HydrophobicContact CG2-CE2 3.72Å
314F90.2Very high84.8Confident16 Ų1662.9 Ų62.97%0.0730%0.303CS..PPolyproline II helixtrans-70.1132.4173.1-66.1-65.2000109.7M1 F269 F293 G297 K298 Y300 Y318 F319M1-F314 HydrophobicContact CE-CD1 3.32Å; M1-F314 HydrophobicContact CE-CE1 3.65Å; M1-F314 HydrophobicContact SD-CD1 3.29Å; M1-F314 WeakPolarHBondContact SD-CD1 3.12Å; M1-F314 HydrophobicContact SD-CE1 3.69Å; M1-F314 HydrophobicContact SD-CG 4.16Å; F269-F314 HydrophobicContact CE1-CE1 4.06Å; F269-F314 AromaticContact CE1-CZ 3.93Å; F269-F314 HydrophobicContact CE1-CZ 3.93Å; F269-F314 HydrophobicContact CZ-CE1 4.1Å; F269-F314 HydrophobicContact CZ-CZ 4.13Å; F293-F314 HydrophobicContact CD1-CE2 4.36Å; F293-F314 AromaticContact CE1-CE2 3.97Å; F293-F314 HydrophobicContact CE1-CE2 3.97Å; F293-F314 AromaticContact CE1-CZ 3.89Å; F293-F314 HydrophobicContact CE1-CZ 3.89Å; G297-F314 VanDerWaalsContact O-CD2 3.25Å; G297-F314 WeakPolarHBondContact O-CD2 3.44Å; G297-F314 WeakPolarHBondContact O-CE2 3.31Å; K298-F314 VanDerWaalsContact C-CD2 3.44Å; K298-F314 VanDerWaalsContact O-CD2 3.32Å; K298-F314 WeakPolarHBondContact O-CD2 3.13Å; K298-F314 PolarHBondContact O-N 3.38Å; Y300-F314 AromaticContact CD1-CE1 3.84Å; Y300-F314 HydrophobicContact CD1-CE1 3.84Å; Y300-F314 AromaticContact CD1-CE2 3.95Å; Y300-F314 HydrophobicContact CD1-CE2 3.95Å; Y300-F314 AromaticContact CD1-CZ 3.31Å; Y300-F314 HydrophobicContact CD1-CZ 3.31Å; Y300-F314 HydrophobicContact CE1-CE1 4.06Å; Y300-F314 AromaticContact CE1-CZ 3.99Å; Y300-F314 HydrophobicContact CE1-CZ 3.99Å; Y300-F314 HydrophobicContact CG-CZ 4.15Å; F314-Y318 HydrophobicContact CB-CD1 3.88Å; F314-Y318 HydrophobicContact CB-CG 4.2Å; F314-Y318 AromaticContact CD1-CD1 3.49Å; F314-Y318 HydrophobicContact CD1-CD1 3.49Å; F314-Y318 VanDerWaalsContact CD1-CD1 3.49Å; F314-Y318 AromaticContact CD1-CD2 3.83Å; F314-Y318 HydrophobicContact CD1-CD2 3.83Å; F314-Y318 AromaticContact CD1-CE1 3.64Å; F314-Y318 HydrophobicContact CD1-CE1 3.64Å; F314-Y318 AromaticContact CD1-CE2 3.95Å; F314-Y318 HydrophobicContact CD1-CE2 3.95Å; F314-Y318 AromaticContact CD1-CG 3.59Å; F314-Y318 HydrophobicContact CD1-CG 3.59Å; F314-Y318 AromaticContact CD1-CZ 3.86Å; F314-Y318 HydrophobicContact CD2-CD1 4.34Å; F314-Y318 HydrophobicContact CD2-CE1 4.25Å; F314-Y318 HydrophobicContact CE1-CD1 4.14Å; F314-Y318 HydrophobicContact CE1-CD2 4.16Å; F314-Y318 AromaticContact CE1-CE1 3.81Å; F314-Y318 HydrophobicContact CE1-CE1 3.81Å; F314-Y318 AromaticContact CE1-CE2 3.82Å; F314-Y318 HydrophobicContact CE1-CE2 3.82Å; F314-Y318 HydrophobicContact CE1-CG 4.3Å; F314-Y318 AromaticContact CE1-CZ 3.63Å; F314-Y318 HydrophobicContact CE2-CE1 4.38Å; F314-Y318 AromaticContact CG-CD1 3.66Å; F314-Y318 HydrophobicContact CG-CD1 3.66Å; F314-Y318 AromaticContact CG-CE1 3.93Å; F314-Y318 HydrophobicContact CG-CE1 3.93Å; F314-Y318 HydrophobicContact CG-CG 4.11Å; F314-Y318 HydrophobicContact CZ-CE1 4.18Å; F314-F319 HydrophobicContact CB-CE2 3.8Å; F314-F319 HydrophobicContact CB-CZ 3.6Å; F314-F319 HydrophobicContact CD2-CZ 4.37Å; F314-F319 HydrophobicContact CG-CZ 4.3Å
315D87.1Confident82.8Confident75 Ų7570.4 Ų70.440%0.40137%0.365SS..PPolyproline II helixtrans-77.3153.4171.1-60.3-49.1000108.8M1 Q317 Y318M1-D315 WeakPolarHBondContact CA-OD2 3.25Å; M1-D315 PolarHBondContact N-OD2 2.89Å; D315-Q317 PolarHBondContact O-N 3.49Å; D315-Y318 VanDerWaalsContact O-CB 3.24Å; D315-Y318 WeakPolarHBondContact O-CB 3.41Å; D315-Y318 PolarHBondContact O-N 3.39Å
316P85.3Confident82.5Confident96 Ų9670.9 Ų70.962%0.62337%0.369SS*.Hα-helixtrans-50.5-36.3179.5-30.636.8000114.4Y318 F319 D320P316-Y318 PolarHBondContact O-N 2.95Å; P316-Y318 VanDerWaalsContact O-N 3.09Å; P316-F319 PolarHBondContact O-N 3.1Å; P316-D320 PolarHBondContact O-N 2.98Å
317Q85Confident82.3Confident158 Ų15872.7 Ų72.774%0.73838%0.378SS*.Hα-helixtrans-58.7-22.3177.4-64.7173.80.200114.2D315 F321D315-Q317 PolarHBondContact O-N 3.49Å; Q317-F321 PolarHBondContact O-N 2.78Å
318Y85.1Confident82Confident22 Ų2276.7 Ų76.79%0.08640%0.4CS..Hα-helixtrans-70.5-33.9175.3175.3-97000112M1 H243 F278 F314 D315 P316 F321M1-Y318 HydrophobicContact CE-CD2 4.02Å; M1-Y318 HydrophobicContact CE-CG 4.49Å; H243-Y318 AromaticContact ND1-CZ 3.52Å; H243-Y318 PolarHBondContact ND1-OH 2.79Å; F278-Y318 AromaticContact CE2-CE2 3.86Å; F278-Y318 HydrophobicContact CE2-CE2 3.86Å; F278-Y318 HydrophobicContact CZ-CE2 4.09Å; F314-Y318 HydrophobicContact CB-CD1 3.88Å; F314-Y318 HydrophobicContact CB-CG 4.2Å; F314-Y318 AromaticContact CD1-CD1 3.49Å; F314-Y318 HydrophobicContact CD1-CD1 3.49Å; F314-Y318 VanDerWaalsContact CD1-CD1 3.49Å; F314-Y318 AromaticContact CD1-CD2 3.83Å; F314-Y318 HydrophobicContact CD1-CD2 3.83Å; F314-Y318 AromaticContact CD1-CE1 3.64Å; F314-Y318 HydrophobicContact CD1-CE1 3.64Å; F314-Y318 AromaticContact CD1-CE2 3.95Å; F314-Y318 HydrophobicContact CD1-CE2 3.95Å; F314-Y318 AromaticContact CD1-CG 3.59Å; F314-Y318 HydrophobicContact CD1-CG 3.59Å; F314-Y318 AromaticContact CD1-CZ 3.86Å; F314-Y318 HydrophobicContact CD2-CD1 4.34Å; F314-Y318 HydrophobicContact CD2-CE1 4.25Å; F314-Y318 HydrophobicContact CE1-CD1 4.14Å; F314-Y318 HydrophobicContact CE1-CD2 4.16Å; F314-Y318 AromaticContact CE1-CE1 3.81Å; F314-Y318 HydrophobicContact CE1-CE1 3.81Å; F314-Y318 AromaticContact CE1-CE2 3.82Å; F314-Y318 HydrophobicContact CE1-CE2 3.82Å; F314-Y318 HydrophobicContact CE1-CG 4.3Å; F314-Y318 AromaticContact CE1-CZ 3.63Å; F314-Y318 HydrophobicContact CE2-CE1 4.38Å; F314-Y318 AromaticContact CG-CD1 3.66Å; F314-Y318 HydrophobicContact CG-CD1 3.66Å; F314-Y318 AromaticContact CG-CE1 3.93Å; F314-Y318 HydrophobicContact CG-CE1 3.93Å; F314-Y318 HydrophobicContact CG-CG 4.11Å; F314-Y318 HydrophobicContact CZ-CE1 4.18Å; D315-Y318 VanDerWaalsContact O-CB 3.24Å; D315-Y318 WeakPolarHBondContact O-CB 3.41Å; D315-Y318 PolarHBondContact O-N 3.39Å; P316-Y318 PolarHBondContact O-N 2.95Å; P316-Y318 VanDerWaalsContact O-N 3.09Å; Y318-F321 WeakPolarHBondContact O-CB 3.11Å; Y318-F321 PolarHBondContact O-N 3.31Å
319F84.4Confident81.4Confident63 Ų6376.8 Ų76.828%0.27641%0.406SS..Hα-helixtrans-80.4-24.8179.7-56-74000112.2M241 K298 F314 P316 F321M241-F319 HydrophobicContact CG-CD1 4.39Å; K298-F319 HydrophobicContact CG-CZ 4.37Å; F314-F319 HydrophobicContact CB-CE2 3.8Å; F314-F319 HydrophobicContact CB-CZ 3.6Å; F314-F319 HydrophobicContact CD2-CZ 4.37Å; F314-F319 HydrophobicContact CG-CZ 4.3Å; P316-F319 PolarHBondContact O-N 3.1Å; F319-F321 PolarHBondContact O-N 3.48Å
320D81.9Confident80.6Confident130 Ų13081.5 Ų81.570%0.69543%0.43SS*.THydrogen-bonded Turntrans-80.9-1.2173.3-58.7-34.3000112.4P316 E322P316-D320 PolarHBondContact O-N 2.98Å; D320-E322 PolarHBondContact O-N 3.33Å
321F75.4Confident79.7Confident81 Ų8186.3 Ų86.336%0.35546%0.457SS..  trans-78.1105.8-179.4-176.2-98.3000110.5F278 Q317 Y318 F319 L323F278-F321 HydrophobicContact CB-CE1 3.98Å; F278-F321 HydrophobicContact CB-CZ 4.17Å; F278-F321 HydrophobicContact CD2-CD1 4.14Å; F278-F321 AromaticContact CD2-CE1 3.69Å; F278-F321 HydrophobicContact CD2-CE1 3.69Å; F278-F321 HydrophobicContact CD2-CZ 4.28Å; F278-F321 HydrophobicContact CE2-CD1 4.38Å; F278-F321 HydrophobicContact CE2-CE1 4.36Å; F278-F321 AromaticContact CG-CE1 3.93Å; F278-F321 HydrophobicContact CG-CE1 3.93Å; Q317-F321 PolarHBondContact O-N 2.78Å; Y318-F321 WeakPolarHBondContact O-CB 3.11Å; Y318-F321 PolarHBondContact O-N 3.31Å; F319-F321 PolarHBondContact O-N 3.48Å; F321-L323 HydrophobicContact CE1-CD1 3.93Å; F321-L323 HydrophobicContact CE1-CG 3.91Å; F321-L323 HydrophobicContact CZ-CG 4.1Å
322E69.7Low78.7Confident174 Ų17492.5 Ų92.581%0.81349%0.489SS*.  trans-104.3131.3162.2-69.9-175.7162.200108.6D320 E324D320-E322 PolarHBondContact O-N 3.33Å; E322-E324 PolarHBondContact O-N 3.19Å
323L65.1Low77.6Confident53 Ų5399.5 Ų99.528%0.27753%0.526SS..  trans-65.9119.6168-99.3131.3000108H271 F278 F321 A325H271-L323 HydrophobicContact CB-CD1 4.05Å; F278-L323 HydrophobicContact CB-CD1 4.19Å; F321-L323 HydrophobicContact CE1-CD1 3.93Å; F321-L323 HydrophobicContact CE1-CG 3.91Å; F321-L323 HydrophobicContact CZ-CG 4.1Å; L323-A325 PolarHBondContact O-N 3.34Å; L323-A325 VanDerWaalsContact O-N 3.14Å
324E60.3Low76.5Confident197 Ų197102 Ų10292%0.92155%0.548SS*.  trans-61115.8168.9-71176.9158.400108.1E322E322-E324 PolarHBondContact O-N 3.19Å
325A48.1Very low75.2Confident159 Ų159109.8 Ų109.8100%1.31459%0.591SS**  trans-73.10-177.900000113.5L323L323-A325 PolarHBondContact O-N 3.34Å; L323-A325 VanDerWaalsContact O-N 3.14Å

Retrieved 325 of 325 residues in 375.5 ms (Link to these results)