A0A087XPB5_POEFO Loading...

Heparin binding growth factor

AlphaFold DB , UniProt , Accession A0A087XPB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M38.5Very low63.7Low220 Ų220134.1 Ų134.1100%1.08463%0.625SS**  0141.10-55.176.8171.300108.9R3M1-R3 PolarHBondContact O-N 3.35Å
2P43.5Very low65.9Low118 Ų118129 Ų12977%0.76661%0.612SS**  trans-67.7125.9173.329-32.8000109.8S4P2-S4 PolarHBondContact O-N 2.89Å
3R55.5Low67.8Low240 Ų240122.9 Ų122.991%0.90661%0.605SS**  trans-93.288.4167.6-73-175.9172125.6-2.7107.6M1 N5M1-R3 PolarHBondContact O-N 3.35Å; R3-N5 PolarHBondContact O-N 3.01Å
4S56.7Low69.6Low63 Ų63118.4 Ų118.444%0.44158%0.584SS.*  trans-70.7-5.4-169.3-500000115.5P2 R6P2-S4 PolarHBondContact O-N 2.89Å; S4-R6 PolarHBondContact O-N 3.18Å
5N57.4Low71.2Confident73 Ų73114.3 Ų114.339%0.3957%0.565SS.*  trans-74.734.2175.8-71.449000113.4R3 Q7 K61 F64R3-N5 PolarHBondContact O-N 3.01Å; N5-Q7 VanDerWaalsContact C-N 3.32Å; N5-Q7 PolarHBondContact O-N 3.21Å; N5-K61 PolarHBondContact ND2-O 3.15Å; N5-F64 WeakPolarHBondContact ND2-CE1 3.31Å; N5-F64 WeakPolarHBondContact OD1-CE1 3.49Å
6R53.9Low72.6Confident211 Ų211107.3 Ų107.380%0.79653%0.53SS*.SBendtrans-7786.8170.4-176.9-177.4-67.8-96.71.6108.6S4 K8S4-R6 PolarHBondContact O-N 3.18Å; R6-K8 PolarHBondContact O-N 3.41Å
7Q59.9Low73.9Confident177 Ų177100.9 Ų100.983%0.82750%0.499SS*.  trans44.656.1162.7-60.5176-85.400114.1N5 E9N5-Q7 VanDerWaalsContact C-N 3.32Å; N5-Q7 PolarHBondContact O-N 3.21Å; Q7-E9 PolarHBondContact O-N 2.57Å
8K72.5Confident75.1Confident77 Ų7795.3 Ų95.334%0.33547%0.472SS..  trans-70.9118.7160.6-76.4178.8177.3167.30107.5R6 Y10 P65 E68R6-K8 PolarHBondContact O-N 3.41Å; K8-Y10 HydrophobicContact CB-CE1 4.45Å; K8-Y10 HydrophobicContact CB-CE2 4.27Å; K8-Y10 WeakPolarHBondContact O-CD2 3.33Å; K8-P65 HydrophobicContact CD-CG 3.7Å; K8-E68 VanDerWaalsContact NZ-CD 3.29Å; K8-E68 IonicContact NZ-OE1 2.57Å; K8-E68 PolarHBondContact NZ-OE1 3.28Å; K8-E68 IonicContact NZ-OE2 3.21Å; K8-E68 PolarHBondContact NZ-OE2 2.78Å
9E83.8Confident76.2Confident150 Ų15093.8 Ų93.870%0.70146%0.462SS*.  trans-78.2131.8165.7-172.9170.1-106.800107.3Q7Q7-E9 PolarHBondContact O-N 2.57Å
10Y88Confident77Confident18 Ų1891.8 Ų91.87%0.07145%0.452CS..  trans-109152.3-178.6-62.6-82000110.1K8 D14 V16 I30 Y45 A60 L63 P65K8-Y10 HydrophobicContact CB-CE1 4.45Å; K8-Y10 HydrophobicContact CB-CE2 4.27Å; K8-Y10 WeakPolarHBondContact O-CD2 3.33Å; Y10-D14 VanDerWaalsContact CA-OD2 3.31Å; Y10-D14 WeakPolarHBondContact CA-OD2 3.46Å; Y10-D14 HydrophobicContact CD1-CB 4.37Å; Y10-V16 HydrophobicContact CD1-CG1 3.75Å; Y10-V16 HydrophobicContact CE1-CG1 3.59Å; Y10-I30 HydrophobicContact CG-CG1 4.47Å; Y10-Y45 HydrophobicContact CD2-CD2 4.46Å; Y10-Y45 HydrophobicContact CD2-CE2 4.09Å; Y10-Y45 PolarHBondContact N-OH 3.03Å; Y10-Y45 WeakPolarHBondContact O-CE1 3.33Å; Y10-A60 HydrophobicContact CE2-CB 4.34Å; Y10-L63 HydrophobicContact CD2-CB 4.17Å; Y10-L63 HydrophobicContact CD2-CD1 4.01Å; Y10-L63 HydrophobicContact CE2-CB 3.52Å; Y10-L63 HydrophobicContact CE2-CD1 4.19Å; Y10-L63 VanDerWaalsContact OH-C 3.22Å; Y10-L63 PolarHBondContact OH-O 3.19Å; Y10-P65 HydrophobicContact CE1-CG 4.29Å; Y10-P65 WeakPolarHBondContact OH-CD 3.37Å
11K90.5Very high77.8Confident128 Ų12896.9 Ų96.956%0.55747%0.472SS*.  trans-114.2153.8178.8-61.7-171.2-176.8-57.80110.7G13 D14 I30K11-G13 PolarHBondContact O-N 2.64Å; K11-D14 PolarHBondContact N-OD2 2.83Å; K11-D14 VanDerWaalsContact O-CB 3.24Å; K11-D14 WeakPolarHBondContact O-CB 3.13Å; K11-D14 PolarHBondContact O-N 3.49Å; K11-I30 WeakPolarHBondContact O-CB 3.15Å
12P90.2Very high80.4Confident73 Ų7389.2 Ų89.247%0.47445%0.449SS..THydrogen-bonded Turntrans-50.7135167.7-25.635.6000111E32P12-E32 HydrophobicContact CB-CB 3.89Å; P12-E32 HydrophobicContact CB-CG 4.34Å; P12-E32 HydrophobicContact CG-CB 3.99Å; P12-E32 HydrophobicContact CG-CG 3.98Å
13G90.8Very high82.7Confident50 Ų5088.6 Ų88.652%0.51543%0.432SS..THydrogen-bonded Turntrans89.5-13.5-172.300000115.5K11 L15 I30K11-G13 PolarHBondContact O-N 2.64Å; G13-L15 PolarHBondContact O-N 3.28Å; G13-I30 PolarHBondContact N-O 2.89Å
14D92.9Very high84.5Confident59 Ų5978.4 Ų78.432%0.31640%0.397SS..  trans-64126.7179.1-80.8-11000111.7Y10 K11 R29 I30Y10-D14 VanDerWaalsContact CA-OD2 3.31Å; Y10-D14 WeakPolarHBondContact CA-OD2 3.46Å; Y10-D14 HydrophobicContact CD1-CB 4.37Å; K11-D14 PolarHBondContact N-OD2 2.83Å; K11-D14 VanDerWaalsContact O-CB 3.24Å; K11-D14 WeakPolarHBondContact O-CB 3.13Å; K11-D14 PolarHBondContact O-N 3.49Å; D14-R29 CarbonylContact O-C 3.51Å; D14-R29 VanDerWaalsContact O-CA 3.28Å; D14-R29 WeakPolarHBondContact O-CA 3.31Å; D14-I30 HydrophobicContact CB-CB 4.47Å; D14-I30 HydrophobicContact CB-CG1 4.03Å; D14-I30 PolarHBondContact O-N 2.82Å
15L93.6Very high86.4Confident58 Ų5877.3 Ų77.330%0.30439%0.385SS..EExtended strand (participates in β ladder)trans-81.2124.7176.1-58.3-173.2000110.9G13 R29 F50 Y66 I89 P93G13-L15 PolarHBondContact O-N 3.28Å; L15-R29 HydrophobicContact CD2-CB 3.94Å; L15-F50 HydrophobicContact CD2-CE2 4.16Å; L15-F50 HydrophobicContact CD2-CZ 4.15Å; L15-Y66 HydrophobicContact CB-CG 4.37Å; L15-Y66 VanDerWaalsContact O-CB 3.25Å; L15-Y66 WeakPolarHBondContact O-CB 3.48Å; L15-Y66 PolarHBondContact O-N 2.77Å; L15-I89 HydrophobicContact CB-CD1 4.24Å; L15-I89 HydrophobicContact CB-CG1 4.37Å; L15-I89 HydrophobicContact CD1-CG1 4.02Å; L15-I89 HydrophobicContact CD2-CD1 4.48Å; L15-I89 HydrophobicContact CD2-CG1 4.08Å; L15-I89 HydrophobicContact CG-CG1 4.38Å; L15-P93 HydrophobicContact CD1-CB 4.33Å; L15-P93 HydrophobicContact CD2-CB 4.06Å
16V94.7Very high88.2Confident1 Ų174.3 Ų74.31%0.00637%0.368CS..EExtended strand (participates in β ladder)trans-139.8154.9-171.6-67.10000112.1Y10 A28 I30 L63 F64Y10-V16 HydrophobicContact CD1-CG1 3.75Å; Y10-V16 HydrophobicContact CE1-CG1 3.59Å; V16-A28 HydrophobicContact CG2-CB 4.15Å; V16-A28 PolarHBondContact N-O 3.41Å; V16-A28 CarbonylContact O-C 3.04Å; V16-A28 WeakPolarHBondContact O-CA 3.47Å; V16-A28 PolarHBondContact O-N 2.9Å; V16-I30 HydrophobicContact CG1-CD1 4.4Å; V16-I30 HydrophobicContact CG1-CG1 4.42Å; V16-I30 HydrophobicContact CG2-CD1 3.84Å; V16-I30 HydrophobicContact CG2-CG1 4.37Å; V16-L63 HydrophobicContact CG2-CD2 4.17Å; V16-F64 CarbonylContact C-O 3.56Å; V16-F64 VanDerWaalsContact CA-O 3.23Å; V16-F64 WeakPolarHBondContact CA-O 3.49Å; V16-F64 WeakPolarHBondContact CB-O 3.24Å
17F94.7Very high90.2Very high0 Ų064.2 Ų64.20%033%0.33CS..EExtended strand (participates in β ladder)trans-91.1124.7155.5-76.5-79.8000109.5H25 W26 P27 F64 Y66 C69 K70 F73 L86F17-H25 HydrophobicContact CB-CB 4.15Å; F17-H25 HydrophobicContact CD1-CB 4.24Å; F17-H25 HydrophobicContact CG-CB 4.46Å; F17-W26 CarbonylContact C-O 3.53Å; F17-W26 WeakPolarHBondContact CA-O 3.44Å; F17-P27 HydrophobicContact CE1-CB 4.21Å; F17-F64 HydrophobicContact CB-CB 4.33Å; F17-F64 PolarHBondContact N-O 2.92Å; F17-F64 PolarHBondContact O-N 2.87Å; F17-Y66 HydrophobicContact CD2-CD2 4.07Å; F17-Y66 AromaticContact CE2-CD2 3.35Å; F17-Y66 HydrophobicContact CE2-CD2 3.35Å; F17-Y66 AromaticContact CE2-CE2 3.88Å; F17-Y66 HydrophobicContact CE2-CE2 3.88Å; F17-Y66 HydrophobicContact CE2-CG 4.2Å; F17-Y66 AromaticContact CZ-CD2 3.73Å; F17-Y66 HydrophobicContact CZ-CD2 3.73Å; F17-Y66 AromaticContact CZ-CE2 3.86Å; F17-Y66 HydrophobicContact CZ-CE2 3.86Å; F17-C69 HydrophobicContact CD2-CB 3.58Å; F17-C69 HydrophobicContact CE2-CB 4.09Å; F17-C69 HydrophobicContact CG-CB 4.45Å; F17-K70 HydrophobicContact CE2-CB 4.33Å; F17-F73 HydrophobicContact CB-CD2 4.41Å; F17-F73 HydrophobicContact CD1-CB 4.03Å; F17-F73 HydrophobicContact CD2-CB 4.48Å; F17-F73 HydrophobicContact CD2-CD2 4.46Å; F17-F73 HydrophobicContact CE1-CB 3.93Å; F17-F73 HydrophobicContact CE2-CB 4.4Å; F17-F73 HydrophobicContact CG-CB 4.3Å; F17-F73 HydrophobicContact CG-CD2 4.27Å; F17-F73 HydrophobicContact CZ-CB 4.13Å; F17-L86 HydrophobicContact CE1-CD2 4.07Å; F17-L86 HydrophobicContact CZ-CD2 4.15Å
18A95.4Very high91.9Very high0 Ų055.8 Ų55.80%029%0.291CS..EExtended strand (participates in β ladder)trans-99.6137.4178.400000111.2W26 A28 V47 F49 L58 L63A18-W26 PolarHBondContact N-O 3.02Å; A18-W26 PolarHBondContact O-N 2.94Å; A18-A28 HydrophobicContact CB-CB 3.81Å; A18-V47 HydrophobicContact CB-CG1 3.92Å; A18-F49 HydrophobicContact CB-CD1 4.32Å; A18-F49 HydrophobicContact CB-CE1 3.47Å; A18-F49 VanDerWaalsContact CB-CE1 3.47Å; A18-F49 HydrophobicContact CB-CZ 4.01Å; A18-L58 HydrophobicContact CB-CD1 3.74Å; A18-L63 HydrophobicContact CB-CD2 4.02Å
19K94.6Very high92.9Very high66 Ų6653 Ų5329%0.28728%0.278SS..EExtended strand (participates in β ladder)trans-117.4103.6-176.8-173.969-17392.50112.7Y23 D62 F64K19-Y23 PolarHBondContact NZ-O 2.86Å; K19-D62 PolarHBondContact N-O 2.97Å; K19-F64 HydrophobicContact CB-CD2 4.36Å; K19-F64 HydrophobicContact CB-CE2 3.75Å
20M92.9Very high93.4Very high54 Ų5446 Ų4627%0.26625%0.245SC..  trans-102.9171.1170.866.2171.379.700112.9Y23 F49M20-Y23 HydrophobicContact CG-CD2 3.62Å; M20-Y23 HydrophobicContact CG-CG 3.85Å; M20-Y23 HydrophobicContact SD-CD1 4.4Å; M20-Y23 HydrophobicContact SD-CD2 3.36Å; M20-Y23 WeakPolarHBondContact SD-CD2 3.33Å; M20-Y23 HydrophobicContact SD-CE2 3.79Å; M20-Y23 HydrophobicContact SD-CG 3.73Å; M20-F49 HydrophobicContact CE-CD1 4.14Å; M20-F49 HydrophobicContact CE-CD2 4.37Å; M20-F49 HydrophobicContact CE-CE1 3.45Å; M20-F49 VanDerWaalsContact CE-CE1 3.45Å; M20-F49 HydrophobicContact CE-CE2 3.76Å; M20-F49 HydrophobicContact CE-CZ 3.25Å
21K93.4Very high93.5Very high199 Ų19946.6 Ų46.687%0.86525%0.25SC*.THydrogen-bonded Turntrans-72.9126.6179.8-171.875.8165.369.10110.1Y23K21-Y23 VanDerWaalsContact C-N 3.35Å; K21-Y23 WeakPolarHBondContact O-CD2 3.28Å; K21-Y23 PolarHBondContact O-N 3.36Å
22G92.8Very high93.3Very high59 Ų5947 Ų4761%0.60825%0.254SS*.THydrogen-bonded Turntrans87.3-9.6175.900000116.5R79G22-R79 PolarHBondContact O-NH2 2.64Å
23Y92.9Very high92.7Very high104 Ų10444.9 Ų44.941%0.40824%0.238SC..SBendtrans-110.7159.3178-65.5-101.8000111.5K19 M20 K21 W26K19-Y23 PolarHBondContact NZ-O 2.86Å; M20-Y23 HydrophobicContact CG-CD2 3.62Å; M20-Y23 HydrophobicContact CG-CG 3.85Å; M20-Y23 HydrophobicContact SD-CD1 4.4Å; M20-Y23 HydrophobicContact SD-CD2 3.36Å; M20-Y23 WeakPolarHBondContact SD-CD2 3.33Å; M20-Y23 HydrophobicContact SD-CE2 3.79Å; M20-Y23 HydrophobicContact SD-CG 3.73Å; K21-Y23 VanDerWaalsContact C-N 3.35Å; K21-Y23 WeakPolarHBondContact O-CD2 3.28Å; K21-Y23 PolarHBondContact O-N 3.36Å; Y23-W26 HydrophobicContact CD1-CE3 4.21Å; Y23-W26 AromaticContact CD1-CZ3 3.95Å; Y23-W26 HydrophobicContact CD1-CZ3 3.95Å
24P94Very high91.7Very high27 Ų2746.8 Ų46.818%0.17524%0.241CC..  trans-62.1-179.9167.729.2-37000112.1W26 F82P24-W26 HydrophobicContact CG-CE3 3.95Å; P24-W26 HydrophobicContact CG-CZ3 4.22Å; P24-W26 PolarHBondContact O-N 2.7Å; P24-F82 HydrophobicContact CB-CE2 3.97Å; P24-F82 HydrophobicContact CG-CD2 3.73Å; P24-F82 HydrophobicContact CG-CE2 3.57Å
25H95.4Very high90Very high40 Ų4051.5 Ų51.519%0.18526%0.261CS..EExtended strand (participates in β ladder)trans-70110.9163.2-67.595.1000107.5F17 F64 F73 F82F17-H25 HydrophobicContact CB-CB 4.15Å; F17-H25 HydrophobicContact CD1-CB 4.24Å; F17-H25 HydrophobicContact CG-CB 4.46Å; H25-F64 AromaticContact CD2-CD2 3.91Å; H25-F64 AromaticContact CD2-CE2 3.99Å; H25-F73 HydrophobicContact CB-CB 3.98Å; H25-F73 HydrophobicContact CB-CD1 4.22Å; H25-F73 HydrophobicContact CB-CD2 3.52Å; H25-F73 HydrophobicContact CB-CE2 4.07Å; H25-F73 HydrophobicContact CB-CG 3.64Å; H25-F73 AromaticContact CD2-CD2 3.92Å; H25-F73 AromaticContact CD2-CE2 3.55Å; H25-F73 AromaticContact CD2-CZ 3.98Å; H25-F73 AromaticContact CE1-CE1 3.63Å; H25-F73 AromaticContact CE1-CE2 3.68Å; H25-F73 AromaticContact CE1-CZ 3.27Å; H25-F73 WeakPolarHBondContact CE1-CZ 3.25Å; H25-F73 AromaticContact CG-CD2 3.5Å; H25-F73 AromaticContact CG-CE2 3.5Å; H25-F73 AromaticContact CG-CG 3.84Å; H25-F73 AromaticContact CG-CZ 3.81Å; H25-F73 AromaticContact ND1-CD1 3.62Å; H25-F73 AromaticContact ND1-CD2 3.82Å; H25-F73 AromaticContact ND1-CE1 3.36Å; H25-F73 WeakPolarHBondContact ND1-CE1 3.23Å; H25-F73 AromaticContact ND1-CE2 3.57Å; H25-F73 AromaticContact ND1-CG 3.88Å; H25-F73 AromaticContact ND1-CZ 3.35Å; H25-F73 VanDerWaalsContact ND1-CZ 3.35Å; H25-F73 WeakPolarHBondContact ND1-CZ 3.22Å; H25-F73 AromaticContact NE2-CE2 3.71Å; H25-F73 AromaticContact NE2-CZ 3.7Å; H25-F82 VanDerWaalsContact O-CE2 3.25Å; H25-F82 WeakPolarHBondContact O-CE2 3.39Å
26W95.8Very high88.2Confident9 Ų952.2 Ų52.23%0.03428%0.283CS..EExtended strand (participates in β ladder)trans-96.7135.8-169.7-156.3-78.3000111.2F17 A18 Y23 P24 A28 F49 F50 T52 R79 K80 F82F17-W26 CarbonylContact C-O 3.53Å; F17-W26 WeakPolarHBondContact CA-O 3.44Å; A18-W26 PolarHBondContact N-O 3.02Å; A18-W26 PolarHBondContact O-N 2.94Å; Y23-W26 HydrophobicContact CD1-CE3 4.21Å; Y23-W26 AromaticContact CD1-CZ3 3.95Å; Y23-W26 HydrophobicContact CD1-CZ3 3.95Å; P24-W26 HydrophobicContact CG-CE3 3.95Å; P24-W26 HydrophobicContact CG-CZ3 4.22Å; P24-W26 PolarHBondContact O-N 2.7Å; W26-A28 PolarHBondContact O-N 2.88Å; W26-F49 HydrophobicContact CB-CD1 3.87Å; W26-F49 HydrophobicContact CB-CE1 4.18Å; W26-F49 AromaticContact CD1-CD1 3.68Å; W26-F49 AromaticContact CG-CD1 3.86Å; W26-F49 HydrophobicContact CG-CD1 3.86Å; W26-F50 PolarHBondContact NE1-O 3.22Å; W26-T52 HydrophobicContact CH2-CG2 4.32Å; W26-T52 HydrophobicContact CZ2-CG2 3.69Å; W26-R79 HydrophobicContact CH2-CB 3.81Å; W26-R79 HydrophobicContact CZ3-CB 3.8Å; W26-R79 HydrophobicContact CZ3-CG 4.18Å; W26-K80 VanDerWaalsContact CH2-O 3.29Å; W26-K80 WeakPolarHBondContact CH2-O 3.5Å; W26-F82 AromaticContact CD2-CD2 3.83Å; W26-F82 HydrophobicContact CD2-CD2 3.83Å; W26-F82 HydrophobicContact CD2-CE2 4.43Å; W26-F82 AromaticContact CE3-CD2 3.69Å; W26-F82 HydrophobicContact CE3-CD2 3.69Å; W26-F82 HydrophobicContact CE3-CE2 4.35Å; W26-F82 HydrophobicContact CG-CD2 4.42Å; W26-F82 HydrophobicContact CH2-CB 3.88Å; W26-F82 HydrophobicContact CH2-CD2 4.24Å; W26-F82 HydrophobicContact CZ2-CB 3.99Å; W26-F82 HydrophobicContact CZ2-CD2 4.35Å; W26-F82 HydrophobicContact CZ3-CB 4.3Å; W26-F82 AromaticContact CZ3-CD2 3.91Å; W26-F82 HydrophobicContact CZ3-CD2 3.91Å
27P95Very high86.4Confident0 Ų054.8 Ų54.80%031%0.305CS..EExtended strand (participates in β ladder)trans-63.6124.5175.226.3-34.1000110.4F17 F50 G85 L86 I89F17-P27 HydrophobicContact CE1-CB 4.21Å; P27-F50 PolarHBondContact O-N 3.29Å; P27-G85 VanDerWaalsContact CG-C 3.4Å; P27-L86 HydrophobicContact CB-CD2 4.1Å; P27-L86 HydrophobicContact CG-CD2 4.03Å; P27-L86 HydrophobicContact CG-CG 4.25Å; P27-I89 HydrophobicContact CB-CB 4.33Å; P27-I89 HydrophobicContact CB-CD1 3.95Å; P27-I89 HydrophobicContact CB-CG2 4.06Å
28A95.8Very high84.4Confident0 Ų062.1 Ų62.10%035%0.349CS..EExtended strand (participates in β ladder)trans-147.6169.3-172.800000111V16 A18 W26 V47 F48 F49 F50V16-A28 HydrophobicContact CG2-CB 4.15Å; V16-A28 PolarHBondContact N-O 3.41Å; V16-A28 CarbonylContact O-C 3.04Å; V16-A28 WeakPolarHBondContact O-CA 3.47Å; V16-A28 PolarHBondContact O-N 2.9Å; A18-A28 HydrophobicContact CB-CB 3.81Å; W26-A28 PolarHBondContact O-N 2.88Å; A28-V47 HydrophobicContact CB-CG1 3.66Å; A28-F48 CarbonylContact C-O 3.43Å; A28-F48 WeakPolarHBondContact CA-O 3.37Å; A28-F48 WeakPolarHBondContact CB-O 3.32Å; A28-F49 HydrophobicContact CB-CD1 4.2Å; A28-F50 VanDerWaalsContact C-CE2 3.46Å
29R94.7Very high82.6Confident18 Ų1870.8 Ų70.87%0.06839%0.387CS..EExtended strand (participates in β ladder)trans-129.9158.4167.568.3-178.2-155.6-175.96.6110.1D14 L15 D31 V47 F48 F50 P93 T94 V95D14-R29 CarbonylContact O-C 3.51Å; D14-R29 VanDerWaalsContact O-CA 3.28Å; D14-R29 WeakPolarHBondContact O-CA 3.31Å; L15-R29 HydrophobicContact CD2-CB 3.94Å; R29-D31 IonicContact CZ-OD1 3.62Å; R29-D31 IonicContact NE-OD1 3.91Å; R29-D31 PolarHBondContact NE-OD1 3.41Å; R29-D31 IonicContact NH2-OD1 2.85Å; R29-D31 PolarHBondContact NH2-OD1 3Å; R29-V47 WeakPolarHBondContact O-CA 3.39Å; R29-F48 HydrophobicContact CG-CB 3.88Å; R29-F48 HydrophobicContact CG-CD1 3.99Å; R29-F48 HydrophobicContact CG-CG 4.37Å; R29-F48 PolarHBondContact N-O 2.83Å; R29-F48 PolarHBondContact O-N 2.83Å; R29-F50 HydrophobicContact CB-CE2 3.83Å; R29-F50 HydrophobicContact CB-CZ 3.85Å; R29-F50 HydrophobicContact CG-CE2 4.18Å; R29-F50 HydrophobicContact CG-CZ 3.9Å; R29-P93 PolarHBondContact NH1-O 3.06Å; R29-T94 PolarHBondContact NH1-O 3.24Å; R29-V95 PolarHBondContact NH1-O 3.39Å; R29-V95 PolarHBondContact NH2-O 2.92Å
30I93.2Very high80.8Confident2 Ų270 Ų701%0.0139%0.389CS..EExtended strand (participates in β ladder)trans-78.9126.5166.8-53.1-51.5000108.6Y10 K11 G13 D14 V16 Y45 Q46 V47 L63Y10-I30 HydrophobicContact CG-CG1 4.47Å; K11-I30 WeakPolarHBondContact O-CB 3.15Å; G13-I30 PolarHBondContact N-O 2.89Å; D14-I30 HydrophobicContact CB-CB 4.47Å; D14-I30 HydrophobicContact CB-CG1 4.03Å; D14-I30 PolarHBondContact O-N 2.82Å; V16-I30 HydrophobicContact CG1-CD1 4.4Å; V16-I30 HydrophobicContact CG1-CG1 4.42Å; V16-I30 HydrophobicContact CG2-CD1 3.84Å; V16-I30 HydrophobicContact CG2-CG1 4.37Å; I30-Y45 HydrophobicContact CG2-CD1 4.18Å; I30-Y45 HydrophobicContact CG2-CG 4.47Å; I30-Q46 WeakPolarHBondContact CA-O 3.2Å; I30-V47 HydrophobicContact CD1-CG2 3.86Å; I30-L63 HydrophobicContact CD1-CD1 3.84Å; I30-L63 HydrophobicContact CD1-CD2 4.27Å
31D90.6Very high79.3Confident31 Ų3170 Ų7017%0.16639%0.393CS..EExtended strand (participates in β ladder)trans-95.5156.1172-12712.2000109.4R29 L33 Q46R29-D31 IonicContact CZ-OD1 3.62Å; R29-D31 IonicContact NE-OD1 3.91Å; R29-D31 PolarHBondContact NE-OD1 3.41Å; R29-D31 IonicContact NH2-OD1 2.85Å; R29-D31 PolarHBondContact NH2-OD1 3Å; D31-L33 PolarHBondContact O-N 3.32Å; D31-Q46 HydrophobicContact CB-CB 4.42Å; D31-Q46 HydrophobicContact CB-CG 4.13Å; D31-Q46 PolarHBondContact N-O 3.4Å
32E85.5Confident78.1Confident137 Ų13765.3 Ų65.364%0.6439%0.386SS*.PPolyproline II helixtrans-71.4124175.1-164.6166163.600109.7P12P12-E32 HydrophobicContact CB-CB 3.89Å; P12-E32 HydrophobicContact CB-CG 4.34Å; P12-E32 HydrophobicContact CG-CB 3.99Å; P12-E32 HydrophobicContact CG-CG 3.98Å
33L77.8Confident77.2Confident29 Ų2968.8 Ų68.815%0.15239%0.39CS..PPolyproline II helixtrans-67.6143.6166.1-90.286000108.3D31 E35 Q46 F57D31-L33 PolarHBondContact O-N 3.32Å; L33-E35 PolarHBondContact O-N 2.95Å; L33-Q46 HydrophobicContact CD1-CB 3.55Å; L33-Q46 HydrophobicContact CG-CB 4.06Å; L33-F57 HydrophobicContact CD1-CE1 4.37Å; L33-F57 HydrophobicContact CD2-CE1 3.95Å; L33-F57 HydrophobicContact CG-CE1 4.03Å
34P69.9Low76.9Confident89 Ų8969 Ų6958%0.57839%0.394SS*.  trans-63100.4166.926.4-33.2000109.8G36 A37P34-G36 PolarHBondContact O-N 2.88Å; P34-A37 PolarHBondContact O-N 3.25Å
35E57.8Low76.8Confident158 Ų15870 Ų7074%0.73839%0.394SS*.THydrogen-bonded Turntrans-55.6-18.1-174-165.265.4-163.100113.8L33L33-E35 PolarHBondContact O-N 2.95Å
36G55.1Low76.6Confident73 Ų7369.7 Ų69.775%0.75339%0.393SS*.THydrogen-bonded Turntrans-81.6-9175.700000116P34 V38P34-G36 PolarHBondContact O-N 2.88Å; G36-V38 PolarHBondContact O-N 2.94Å
37A56.5Low76.5Confident56 Ų5669.3 Ų69.346%0.46339%0.391SS..SBendtrans-74.9107175.700000109.8P34 K39 S40P34-A37 PolarHBondContact O-N 3.25Å; A37-K39 CarbonylContact O-C 3.6Å; A37-K39 PolarHBondContact O-N 3.03Å; A37-S40 PolarHBondContact O-N 3.4Å
38V52.7Low76.5Confident154 Ų15469.3 Ų69.393%0.93339%0.391SS*.SBendtrans-40-10.9-169.5171.40000118.1G36G36-V38 PolarHBondContact O-N 2.94Å
39K59Low76.4Confident182 Ų18269.4 Ų69.479%0.79139%0.392SS*.  trans-153.985.4169.7-152.7167.3-170.61700111A37 P41A37-K39 CarbonylContact O-C 3.6Å; A37-K39 PolarHBondContact O-N 3.03Å; K39-P41 WeakPolarHBondContact O-CD 3.14Å
40S57.3Low76.4Confident48 Ų4868.6 Ų68.634%0.33639%0.388SS..  trans-45.1117.6158.2-68.50000107.5A37 S42A37-S40 PolarHBondContact O-N 3.4Å; S40-S42 WeakPolarHBondContact O-CA 3.45Å; S40-S42 PolarHBondContact O-N 3.44Å
41P60.7Low76.5Confident54 Ų5468.9 Ų68.935%0.35139%0.392SS..  trans-66.2106.1-170.821.5-30000108.1K39 N43 K44K39-P41 WeakPolarHBondContact O-CD 3.14Å; P41-N43 PolarHBondContact O-N 3.46Å; P41-K44 HydrophobicContact CB-CD 4.26Å; P41-K44 HydrophobicContact CG-CB 4.25Å; P41-K44 HydrophobicContact CG-CD 4.25Å; P41-K44 PolarHBondContact O-N 3.46Å
42S67.3Low76.5Confident101 Ų10169.5 Ų69.571%0.70640%0.397SS*.THydrogen-bonded Turntrans-65.27.5-130.150.70000119.5S40S40-S42 WeakPolarHBondContact O-CA 3.45Å; S40-S42 PolarHBondContact O-N 3.44Å
43N75.1Confident76.9Confident132 Ų13263.6 Ų63.671%0.70637%0.37SS*.THydrogen-bonded Turntrans-146.727.1174.4-68.7-92.7000112P41P41-N43 PolarHBondContact O-N 3.46Å
44K86.8Confident77.5Confident110 Ų11067.8 Ų67.848%0.47839%0.388SS..EExtended strand (participates in β ladder)trans-120.5143.4178.6-56.7-174.3-174-179.30111.2P41 F57 L58P41-K44 HydrophobicContact CB-CD 4.26Å; P41-K44 HydrophobicContact CG-CB 4.25Å; P41-K44 HydrophobicContact CG-CD 4.25Å; P41-K44 PolarHBondContact O-N 3.46Å; K44-F57 HydrophobicContact CB-CB 4.4Å; K44-F57 HydrophobicContact CD-CB 3.98Å; K44-L58 CarbonylContact C-O 3.52Å; K44-L58 VanDerWaalsContact CA-O 3.31Å; K44-L58 WeakPolarHBondContact CA-O 3.34Å
45Y90.2Very high78.6Confident46 Ų4666 Ų6618%0.1838%0.376CS..EExtended strand (participates in β ladder)trans-103.6149.7173-55.5-85.3000109.3Y10 I30 F57 L58 A60 L63Y10-Y45 HydrophobicContact CD2-CD2 4.46Å; Y10-Y45 HydrophobicContact CD2-CE2 4.09Å; Y10-Y45 PolarHBondContact N-OH 3.03Å; Y10-Y45 WeakPolarHBondContact O-CE1 3.33Å; I30-Y45 HydrophobicContact CG2-CD1 4.18Å; I30-Y45 HydrophobicContact CG2-CG 4.47Å; Y45-F57 WeakPolarHBondContact O-CA 3.49Å; Y45-L58 PolarHBondContact N-O 2.75Å; Y45-L58 PolarHBondContact O-N 2.79Å; Y45-A60 HydrophobicContact CE2-CB 4.06Å; Y45-L63 HydrophobicContact CD2-CD1 3.63Å; Y45-L63 HydrophobicContact CE2-CD1 4.42Å; Y45-L63 HydrophobicContact CG-CD1 4.21Å
46Q92.3Very high80.2Confident35 Ų3560.1 Ų60.116%0.16435%0.354CS..EExtended strand (participates in β ladder)trans-81.5130.4166-174.8162-27.200107I30 D31 L33 F57I30-Q46 WeakPolarHBondContact CA-O 3.2Å; D31-Q46 HydrophobicContact CB-CB 4.42Å; D31-Q46 HydrophobicContact CB-CG 4.13Å; D31-Q46 PolarHBondContact N-O 3.4Å; L33-Q46 HydrophobicContact CD1-CB 3.55Å; L33-Q46 HydrophobicContact CG-CB 4.06Å; Q46-F57 HydrophobicContact CB-CD1 4.22Å; Q46-F57 HydrophobicContact CB-CE1 3.86Å; Q46-F57 HydrophobicContact CG-CE1 4.24Å
47V93.8Very high81.9Confident0 Ų061.6 Ų61.60%034%0.34CS..EExtended strand (participates in β ladder)trans-128.5121-170.2-176.60000107.9A18 A28 R29 I30 F49 T55 A56 L58 L63A18-V47 HydrophobicContact CB-CG1 3.92Å; A28-V47 HydrophobicContact CB-CG1 3.66Å; R29-V47 WeakPolarHBondContact O-CA 3.39Å; I30-V47 HydrophobicContact CD1-CG2 3.86Å; V47-F49 HydrophobicContact CG1-CE2 4.49Å; V47-F49 HydrophobicContact CG1-CZ 4.31Å; V47-T55 CarbonylContact O-C 3.55Å; V47-T55 VanDerWaalsContact O-CA 3.27Å; V47-T55 WeakPolarHBondContact O-CA 3.49Å; V47-A56 PolarHBondContact N-O 2.82Å; V47-A56 PolarHBondContact O-N 2.88Å; V47-L58 HydrophobicContact CG2-CB 4.04Å; V47-L58 HydrophobicContact CG2-CD1 4.44Å; V47-L58 HydrophobicContact CG2-CG 4.48Å; V47-L63 HydrophobicContact CG1-CD2 4.21Å; V47-L63 HydrophobicContact CG2-CD1 4.31Å; V47-L63 HydrophobicContact CG2-CD2 3.8Å
48F94.3Very high83.6Confident0 Ų060 Ų600%032%0.324CS..EExtended strand (participates in β ladder)trans-94.9126.4176.5174.6-91.5000109.3A28 R29 F50 H53 E54 T55 V95 H97A28-F48 CarbonylContact C-O 3.43Å; A28-F48 WeakPolarHBondContact CA-O 3.37Å; A28-F48 WeakPolarHBondContact CB-O 3.32Å; R29-F48 HydrophobicContact CG-CB 3.88Å; R29-F48 HydrophobicContact CG-CD1 3.99Å; R29-F48 HydrophobicContact CG-CG 4.37Å; R29-F48 PolarHBondContact N-O 2.83Å; R29-F48 PolarHBondContact O-N 2.83Å; F48-F50 HydrophobicContact CD1-CD1 4.2Å; F48-F50 HydrophobicContact CD1-CE1 4.27Å; F48-F50 AromaticContact CE1-CD1 3.8Å; F48-F50 HydrophobicContact CE1-CD1 3.8Å; F48-F50 HydrophobicContact CE1-CE1 4.06Å; F48-F50 HydrophobicContact CE1-CG 4.46Å; F48-H53 AromaticContact CE1-CD2 3.98Å; F48-H53 HydrophobicContact CE2-CB 3.75Å; F48-H53 VanDerWaalsContact CE2-O 3.23Å; F48-H53 WeakPolarHBondContact CE2-O 3.35Å; F48-H53 HydrophobicContact CZ-CB 3.74Å; F48-H53 AromaticContact CZ-CD2 3.43Å; F48-H53 VanDerWaalsContact CZ-CD2 3.43Å; F48-H53 WeakPolarHBondContact CZ-CD2 3.36Å; F48-H53 AromaticContact CZ-CG 3.89Å; F48-E54 WeakPolarHBondContact CA-O 3.27Å; F48-T55 HydrophobicContact CB-CG2 4.26Å; F48-T55 HydrophobicContact CD2-CG2 3.88Å; F48-V95 HydrophobicContact CE1-CG1 4Å; F48-V95 WeakPolarHBondContact CE1-O 3.13Å; F48-V95 HydrophobicContact CZ-CG1 4.28Å; F48-V95 WeakPolarHBondContact CZ-O 3.36Å; F48-H97 HydrophobicContact CD2-CB 3.99Å; F48-H97 HydrophobicContact CE2-CB 3.85Å
49F95.1Very high85.5Confident3 Ų353.3 Ų53.31%0.01329%0.286CS..EExtended strand (participates in β ladder)trans-93.1119.2-180-65.7-86.5000110.1A18 M20 W26 A28 V47 H53 E54 A56 L58A18-F49 HydrophobicContact CB-CD1 4.32Å; A18-F49 HydrophobicContact CB-CE1 3.47Å; A18-F49 VanDerWaalsContact CB-CE1 3.47Å; A18-F49 HydrophobicContact CB-CZ 4.01Å; M20-F49 HydrophobicContact CE-CD1 4.14Å; M20-F49 HydrophobicContact CE-CD2 4.37Å; M20-F49 HydrophobicContact CE-CE1 3.45Å; M20-F49 VanDerWaalsContact CE-CE1 3.45Å; M20-F49 HydrophobicContact CE-CE2 3.76Å; M20-F49 HydrophobicContact CE-CZ 3.25Å; W26-F49 HydrophobicContact CB-CD1 3.87Å; W26-F49 HydrophobicContact CB-CE1 4.18Å; W26-F49 AromaticContact CD1-CD1 3.68Å; W26-F49 AromaticContact CG-CD1 3.86Å; W26-F49 HydrophobicContact CG-CD1 3.86Å; A28-F49 HydrophobicContact CB-CD1 4.2Å; V47-F49 HydrophobicContact CG1-CE2 4.49Å; V47-F49 HydrophobicContact CG1-CZ 4.31Å; F49-H53 WeakPolarHBondContact O-CA 3.38Å; F49-H53 PolarHBondContact O-N 2.91Å; F49-E54 HydrophobicContact CD2-CB 4.38Å; F49-E54 WeakPolarHBondContact CD2-O 3.4Å; F49-E54 PolarHBondContact N-O 2.85Å; F49-A56 HydrophobicContact CE2-CB 3.82Å; F49-L58 HydrophobicContact CZ-CD1 4Å
50F94.4Very high86.9Confident0 Ų046.1 Ų46.10%026%0.26CS..THydrogen-bonded Turntrans-66.4145.7175.6-66.2-73.5000110.8L15 W26 P27 A28 R29 F48 T52 G85 E88 I89 P93 V95L15-F50 HydrophobicContact CD2-CE2 4.16Å; L15-F50 HydrophobicContact CD2-CZ 4.15Å; W26-F50 PolarHBondContact NE1-O 3.22Å; P27-F50 PolarHBondContact O-N 3.29Å; A28-F50 VanDerWaalsContact C-CE2 3.46Å; R29-F50 HydrophobicContact CB-CE2 3.83Å; R29-F50 HydrophobicContact CB-CZ 3.85Å; R29-F50 HydrophobicContact CG-CE2 4.18Å; R29-F50 HydrophobicContact CG-CZ 3.9Å; F48-F50 HydrophobicContact CD1-CD1 4.2Å; F48-F50 HydrophobicContact CD1-CE1 4.27Å; F48-F50 AromaticContact CE1-CD1 3.8Å; F48-F50 HydrophobicContact CE1-CD1 3.8Å; F48-F50 HydrophobicContact CE1-CE1 4.06Å; F48-F50 HydrophobicContact CE1-CG 4.46Å; F50-T52 PolarHBondContact O-N 2.96Å; F50-T52 VanDerWaalsContact O-N 3.12Å; F50-G85 VanDerWaalsContact C-CA 3.43Å; F50-G85 VanDerWaalsContact CB-CA 3.45Å; F50-G85 WeakPolarHBondContact CB-O 3.43Å; F50-E88 WeakPolarHBondContact CA-OE2 3.35Å; F50-E88 HydrophobicContact CB-CB 4.07Å; F50-E88 WeakPolarHBondContact CB-OE2 3.25Å; F50-E88 HydrophobicContact CD1-CB 3.81Å; F50-E88 HydrophobicContact CG-CB 4.21Å; F50-I89 HydrophobicContact CD2-CB 3.7Å; F50-I89 HydrophobicContact CD2-CD1 3.86Å; F50-I89 HydrophobicContact CD2-CG1 3.91Å; F50-I89 HydrophobicContact CE2-CB 3.79Å; F50-I89 HydrophobicContact CE2-CD1 3.7Å; F50-I89 HydrophobicContact CE2-CG1 3.57Å; F50-I89 HydrophobicContact CG-CB 4.3Å; F50-I89 HydrophobicContact CZ-CB 4.44Å; F50-I89 HydrophobicContact CZ-CG1 4.32Å; F50-P93 HydrophobicContact CZ-CB 4.46Å; F50-V95 HydrophobicContact CD1-CG1 3.82Å; F50-V95 HydrophobicContact CE1-CG1 3.82Å
51G93.8Very high88.5Confident9 Ų950.8 Ų50.89%0.09328%0.275CS..THydrogen-bonded Turntrans69.8-8.9179.200000117.2G81 E88G51-G81 WeakPolarHBondContact CA-O 3.27Å; G51-G81 WeakPolarHBondContact O-CA 3.38Å; G51-E88 PolarHBondContact N-OE2 3.09Å
52T92.2Very high90Very high43 Ų4350 Ų5026%0.26427%0.267SS..THydrogen-bonded Turntrans-112.9-13.9156.969.30000112.6W26 F50 E54W26-T52 HydrophobicContact CH2-CG2 4.32Å; W26-T52 HydrophobicContact CZ2-CG2 3.69Å; F50-T52 PolarHBondContact O-N 2.96Å; F50-T52 VanDerWaalsContact O-N 3.12Å; T52-E54 WeakPolarHBondContact CB-OE2 3.42Å; T52-E54 PolarHBondContact O-N 3.49Å; T52-E54 PolarHBondContact OG1-OE2 3.5Å
53H92Very high91.2Very high14 Ų1445.1 Ų45.17%0.06523%0.234CC..  trans55.88.1-175.5-50.3131.8000114.6F48 F49 E88 H97 Y100F48-H53 AromaticContact CE1-CD2 3.98Å; F48-H53 HydrophobicContact CE2-CB 3.75Å; F48-H53 VanDerWaalsContact CE2-O 3.23Å; F48-H53 WeakPolarHBondContact CE2-O 3.35Å; F48-H53 HydrophobicContact CZ-CB 3.74Å; F48-H53 AromaticContact CZ-CD2 3.43Å; F48-H53 VanDerWaalsContact CZ-CD2 3.43Å; F48-H53 WeakPolarHBondContact CZ-CD2 3.36Å; F48-H53 AromaticContact CZ-CG 3.89Å; F49-H53 WeakPolarHBondContact O-CA 3.38Å; F49-H53 PolarHBondContact O-N 2.91Å; H53-E88 IonicContact CD2-OE1 3.43Å; H53-E88 IonicContact CD2-OE2 3.11Å; H53-E88 IonicContact CE1-OE1 2.74Å; H53-E88 PolarHBondContact CE1-OE1 3.17Å; H53-E88 VanDerWaalsContact NE2-CD 3.31Å; H53-E88 IonicContact NE2-OE1 3.6Å; H53-E88 PolarHBondContact NE2-OE1 3.41Å; H53-E88 IonicContact NE2-OE2 3.5Å; H53-E88 PolarHBondContact NE2-OE2 3.02Å; H53-E88 VanDerWaalsContact NE2-OE2 3.11Å; H53-H97 PolarHBondContact O-CD2 3.12Å; H53-H97 VanDerWaalsContact O-CD2 3.25Å; H53-Y100 HydrophobicContact CB-CD1 3.89Å; H53-Y100 HydrophobicContact CB-CD2 4.5Å; H53-Y100 HydrophobicContact CB-CE1 4.38Å; H53-Y100 HydrophobicContact CB-CG 3.94Å; H53-Y100 AromaticContact CE1-CD2 3.84Å; H53-Y100 AromaticContact CG-CG 3.96Å; H53-Y100 AromaticContact ND1-CD1 3.99Å; H53-Y100 AromaticContact ND1-CD2 3.13Å; H53-Y100 WeakPolarHBondContact ND1-CD2 3.2Å; H53-Y100 AromaticContact ND1-CE2 3.36Å; H53-Y100 WeakPolarHBondContact ND1-CE2 3.2Å; H53-Y100 AromaticContact ND1-CG 3.46Å; H53-Y100 AromaticContact ND1-CZ 3.88Å
54E92.1Very high92Very high116 Ų11640.7 Ų40.754%0.54221%0.208SC..  trans-63.6154.1176.9-69.3173.910000111.4F48 F49 T52F48-E54 WeakPolarHBondContact CA-O 3.27Å; F49-E54 HydrophobicContact CD2-CB 4.38Å; F49-E54 WeakPolarHBondContact CD2-O 3.4Å; F49-E54 PolarHBondContact N-O 2.85Å; T52-E54 WeakPolarHBondContact CB-OE2 3.42Å; T52-E54 PolarHBondContact O-N 3.49Å; T52-E54 PolarHBondContact OG1-OE2 3.5Å
55T91.4Very high92.3Very high51 Ų5136.7 Ų36.731%0.31319%0.193SC..EExtended strand (participates in β ladder)trans-119.9141.3172.855.80000111.4V47 F48 H97V47-T55 CarbonylContact O-C 3.55Å; V47-T55 VanDerWaalsContact O-CA 3.27Å; V47-T55 WeakPolarHBondContact O-CA 3.49Å; F48-T55 HydrophobicContact CB-CG2 4.26Å; F48-T55 HydrophobicContact CD2-CG2 3.88Å; T55-H97 HydrophobicContact CG2-CB 4.19Å
56A91.8Very high92.4Very high35 Ų3535.2 Ų35.229%0.28919%0.187SC..EExtended strand (participates in β ladder)trans-148159.1174.200000113.1V47 F49V47-A56 PolarHBondContact N-O 2.82Å; V47-A56 PolarHBondContact O-N 2.88Å; F49-A56 HydrophobicContact CE2-CB 3.82Å
57F91.8Very high92.2Very high104 Ų10439.4 Ų39.446%0.45621%0.207SC..EExtended strand (participates in β ladder)trans-93.6108.1176.8-65.6-78.4000112.2L33 K44 Y45 Q46L33-F57 HydrophobicContact CD1-CE1 4.37Å; L33-F57 HydrophobicContact CD2-CE1 3.95Å; L33-F57 HydrophobicContact CG-CE1 4.03Å; K44-F57 HydrophobicContact CB-CB 4.4Å; K44-F57 HydrophobicContact CD-CB 3.98Å; Y45-F57 WeakPolarHBondContact O-CA 3.49Å; Q46-F57 HydrophobicContact CB-CD1 4.22Å; Q46-F57 HydrophobicContact CB-CE1 3.86Å; Q46-F57 HydrophobicContact CG-CE1 4.24Å
58L92Very high91.9Very high23 Ų2343.6 Ų43.612%0.1223%0.226CC..EExtended strand (participates in β ladder)trans-116.4150.6178.4-67.1178.1000111.9A18 K44 Y45 V47 F49 D62 L63A18-L58 HydrophobicContact CB-CD1 3.74Å; K44-L58 CarbonylContact C-O 3.52Å; K44-L58 VanDerWaalsContact CA-O 3.31Å; K44-L58 WeakPolarHBondContact CA-O 3.34Å; Y45-L58 PolarHBondContact N-O 2.75Å; Y45-L58 PolarHBondContact O-N 2.79Å; V47-L58 HydrophobicContact CG2-CB 4.04Å; V47-L58 HydrophobicContact CG2-CD1 4.44Å; V47-L58 HydrophobicContact CG2-CG 4.48Å; F49-L58 HydrophobicContact CZ-CD1 4Å; L58-D62 HydrophobicContact CD2-CB 4.41Å; L58-L63 HydrophobicContact CB-CD2 4.18Å; L58-L63 HydrophobicContact CB-CG 4.37Å; L58-L63 HydrophobicContact CD1-CD2 4.09Å
59G91.3Very high91.6Very high13 Ų1344.2 Ų44.213%0.13423%0.231CC..EExtended strand (participates in β ladder)trans-88.9159.1173.400000111.9K61 D62G59-K61 PolarHBondContact O-N 2.89Å; G59-D62 PolarHBondContact O-N 2.85Å
60A89.9Confident91.3Very high31 Ų3148 Ų4826%0.25625%0.247SC..G310 helixtrans-48.4-27.6177.500000114.6Y10 Y45 D62 L63Y10-A60 HydrophobicContact CE2-CB 4.34Å; Y45-A60 HydrophobicContact CE2-CB 4.06Å; A60-D62 VanDerWaalsContact C-N 3.29Å; A60-D62 PolarHBondContact O-N 3Å; A60-L63 PolarHBondContact O-N 2.96Å
61K90.3Very high90.9Very high146 Ų14655.7 Ų55.764%0.63528%0.283SS*.G310 helixtrans-64.6-28.3178.270.4176.7-17663.20114.2N5 G59N5-K61 PolarHBondContact ND2-O 3.15Å; G59-K61 PolarHBondContact O-N 2.89Å
62D92.4Very high90.6Very high37 Ų3761 Ų6120%0.19830%0.304CS..G310 helixtrans-101.53.7-176.2-55.8-51.5000112K19 L58 G59 A60K19-D62 PolarHBondContact N-O 2.97Å; L58-D62 HydrophobicContact CD2-CB 4.41Å; G59-D62 PolarHBondContact O-N 2.85Å; A60-D62 VanDerWaalsContact C-N 3.29Å; A60-D62 PolarHBondContact O-N 3Å
63L92.5Very high90.2Very high0 Ų061.5 Ų61.50%030%0.302CS..EExtended strand (participates in β ladder)trans-113.4135.7-176.9-60.4169.1000109.4Y10 V16 A18 I30 Y45 V47 L58 A60Y10-L63 HydrophobicContact CD2-CB 4.17Å; Y10-L63 HydrophobicContact CD2-CD1 4.01Å; Y10-L63 HydrophobicContact CE2-CB 3.52Å; Y10-L63 HydrophobicContact CE2-CD1 4.19Å; Y10-L63 VanDerWaalsContact OH-C 3.22Å; Y10-L63 PolarHBondContact OH-O 3.19Å; V16-L63 HydrophobicContact CG2-CD2 4.17Å; A18-L63 HydrophobicContact CB-CD2 4.02Å; I30-L63 HydrophobicContact CD1-CD1 3.84Å; I30-L63 HydrophobicContact CD1-CD2 4.27Å; Y45-L63 HydrophobicContact CD2-CD1 3.63Å; Y45-L63 HydrophobicContact CE2-CD1 4.42Å; Y45-L63 HydrophobicContact CG-CD1 4.21Å; V47-L63 HydrophobicContact CG1-CD2 4.21Å; V47-L63 HydrophobicContact CG2-CD1 4.31Å; V47-L63 HydrophobicContact CG2-CD2 3.8Å; L58-L63 HydrophobicContact CB-CD2 4.18Å; L58-L63 HydrophobicContact CB-CG 4.37Å; L58-L63 HydrophobicContact CD1-CD2 4.09Å; A60-L63 PolarHBondContact O-N 2.96Å
64F92.1Very high89.8Confident39 Ų3962.4 Ų62.417%0.17132%0.316CS..EExtended strand (participates in β ladder)trans-131.4132.3-175.4-60.3-93.1000108.4N5 V16 F17 K19 H25 Y66N5-F64 WeakPolarHBondContact ND2-CE1 3.31Å; N5-F64 WeakPolarHBondContact OD1-CE1 3.49Å; V16-F64 CarbonylContact C-O 3.56Å; V16-F64 VanDerWaalsContact CA-O 3.23Å; V16-F64 WeakPolarHBondContact CA-O 3.49Å; V16-F64 WeakPolarHBondContact CB-O 3.24Å; F17-F64 HydrophobicContact CB-CB 4.33Å; F17-F64 PolarHBondContact N-O 2.92Å; F17-F64 PolarHBondContact O-N 2.87Å; K19-F64 HydrophobicContact CB-CD2 4.36Å; K19-F64 HydrophobicContact CB-CE2 3.75Å; H25-F64 AromaticContact CD2-CD2 3.91Å; H25-F64 AromaticContact CD2-CE2 3.99Å; F64-Y66 PolarHBondContact O-N 3.29Å
65P93Very high89.5Confident25 Ų2563.8 Ų63.816%0.16232%0.32CS..EExtended strand (participates in β ladder)trans-59.8134.9-179.8-23.834.9000111.6K8 Y10 E67 E68 C69K8-P65 HydrophobicContact CD-CG 3.7Å; Y10-P65 HydrophobicContact CE1-CG 4.29Å; Y10-P65 WeakPolarHBondContact OH-CD 3.37Å; P65-E67 PolarHBondContact O-N 2.82Å; P65-E68 PolarHBondContact O-N 2.88Å; P65-C69 WeakPolarHBondContact O-CB 3.23Å; P65-C69 PolarHBondContact O-N 2.87Å
66Y91.2Very high89.1Confident15 Ų1566.8 Ų66.86%0.05934%0.338CS..Hα-helixtrans-58-48.1-177.7170.5-96.6000111.7L15 F17 F64 E68 C69 K70 I89 E90L15-Y66 HydrophobicContact CB-CG 4.37Å; L15-Y66 VanDerWaalsContact O-CB 3.25Å; L15-Y66 WeakPolarHBondContact O-CB 3.48Å; L15-Y66 PolarHBondContact O-N 2.77Å; F17-Y66 HydrophobicContact CD2-CD2 4.07Å; F17-Y66 AromaticContact CE2-CD2 3.35Å; F17-Y66 HydrophobicContact CE2-CD2 3.35Å; F17-Y66 AromaticContact CE2-CE2 3.88Å; F17-Y66 HydrophobicContact CE2-CE2 3.88Å; F17-Y66 HydrophobicContact CE2-CG 4.2Å; F17-Y66 AromaticContact CZ-CD2 3.73Å; F17-Y66 HydrophobicContact CZ-CD2 3.73Å; F17-Y66 AromaticContact CZ-CE2 3.86Å; F17-Y66 HydrophobicContact CZ-CE2 3.86Å; F64-Y66 PolarHBondContact O-N 3.29Å; Y66-E68 PolarHBondContact O-N 2.85Å; Y66-C69 CarbonylContact O-C 3.57Å; Y66-C69 PolarHBondContact O-N 3.16Å; Y66-K70 HydrophobicContact CD1-CD 4.33Å; Y66-K70 HydrophobicContact CD2-CB 4.46Å; Y66-K70 HydrophobicContact CE1-CB 4.19Å; Y66-K70 HydrophobicContact CE1-CD 3.71Å; Y66-K70 HydrophobicContact CE2-CB 4.03Å; Y66-K70 WeakPolarHBondContact O-CB 3.44Å; Y66-K70 PolarHBondContact O-N 3.14Å; Y66-I89 HydrophobicContact CD2-CD1 3.53Å; Y66-I89 HydrophobicContact CD2-CG1 4.19Å; Y66-I89 HydrophobicContact CD2-CG2 4.44Å; Y66-I89 HydrophobicContact CE2-CD1 3.96Å; Y66-I89 HydrophobicContact CE2-CG1 4.23Å; Y66-I89 HydrophobicContact CE2-CG2 3.75Å; Y66-I89 HydrophobicContact CG-CD1 4.08Å; Y66-E90 VanDerWaalsContact OH-CG 3.27Å; Y66-E90 WeakPolarHBondContact OH-CG 3.39Å; Y66-E90 PolarHBondContact OH-OE1 3.34Å
67E88.5Confident89Confident123 Ų12368.1 Ų68.158%0.57534%0.34SS*.Hα-helixtrans-55.6-42-177.9-72.8-60116.100114.5P65 C69 K70P65-E67 PolarHBondContact O-N 2.82Å; E67-C69 VanDerWaalsContact C-N 3.27Å; E67-C69 PolarHBondContact O-N 2.81Å; E67-K70 IonicContact OE1-NZ 2.82Å; E67-K70 PolarHBondContact OE1-NZ 2.8Å; E67-K70 WeakPolarHBondContact OE2-CE 3.27Å; E67-K70 IonicContact OE2-NZ 2.64Å; E67-K70 PolarHBondContact OE2-NZ 2.86Å
68E88.6Confident88.8Confident88 Ų8873.5 Ų73.541%0.41136%0.363SS..Hα-helixtrans-75.6-17.2-179.7-73.6168.4-128.400113.5K8 P65 Y66 K72K8-E68 VanDerWaalsContact NZ-CD 3.29Å; K8-E68 IonicContact NZ-OE1 2.57Å; K8-E68 PolarHBondContact NZ-OE1 3.28Å; K8-E68 IonicContact NZ-OE2 3.21Å; K8-E68 PolarHBondContact NZ-OE2 2.78Å; P65-E68 PolarHBondContact O-N 2.88Å; Y66-E68 PolarHBondContact O-N 2.85Å; E68-K72 PolarHBondContact O-NZ 3.41Å
69C87.6Confident88.7Confident13 Ų1378.4 Ų78.49%0.08838%0.38CS..Hα-helixtrans-118.5-14.8-168-720000114.1F17 P65 Y66 E67 E71 K72 F73F17-C69 HydrophobicContact CD2-CB 3.58Å; F17-C69 HydrophobicContact CE2-CB 4.09Å; F17-C69 HydrophobicContact CG-CB 4.45Å; P65-C69 WeakPolarHBondContact O-CB 3.23Å; P65-C69 PolarHBondContact O-N 2.87Å; Y66-C69 CarbonylContact O-C 3.57Å; Y66-C69 PolarHBondContact O-N 3.16Å; E67-C69 VanDerWaalsContact C-N 3.27Å; E67-C69 PolarHBondContact O-N 2.81Å; C69-E71 VanDerWaalsContact C-N 3.3Å; C69-E71 PolarHBondContact O-N 2.96Å; C69-K72 CarbonylContact O-C 3.45Å; C69-K72 WeakPolarHBondContact O-CA 3.39Å; C69-K72 PolarHBondContact O-N 3.35Å; C69-F73 HydrophobicContact CB-CD2 3.71Å; C69-F73 HydrophobicContact CB-CE2 4.05Å; C69-F73 PolarHBondContact O-N 2.88Å
70K87.9Confident88.6Confident82 Ų8287.3 Ų87.336%0.35742%0.415SS..Hα-helixtrans-56.5-40.6-18065.9-173.3175.9-169.60113F17 Y66 E67 K72 G74F17-K70 HydrophobicContact CE2-CB 4.33Å; Y66-K70 HydrophobicContact CD1-CD 4.33Å; Y66-K70 HydrophobicContact CD2-CB 4.46Å; Y66-K70 HydrophobicContact CE1-CB 4.19Å; Y66-K70 HydrophobicContact CE1-CD 3.71Å; Y66-K70 HydrophobicContact CE2-CB 4.03Å; Y66-K70 WeakPolarHBondContact O-CB 3.44Å; Y66-K70 PolarHBondContact O-N 3.14Å; E67-K70 IonicContact OE1-NZ 2.82Å; E67-K70 PolarHBondContact OE1-NZ 2.8Å; E67-K70 WeakPolarHBondContact OE2-CE 3.27Å; E67-K70 IonicContact OE2-NZ 2.64Å; E67-K70 PolarHBondContact OE2-NZ 2.86Å; K70-K72 PolarHBondContact O-N 3.35Å; K70-G74 WeakPolarHBondContact O-CA 3.43Å; K70-G74 PolarHBondContact O-N 3.27Å
71E87.3Confident88.7Confident163 Ų16386.5 Ų86.576%0.76241%0.41SS*.Hα-helixtrans-62.3-28.2175.1-164.5-170.617900113.3C69C69-E71 VanDerWaalsContact C-N 3.3Å; C69-E71 PolarHBondContact O-N 2.96Å
72K86.7Confident88.8Confident119 Ų11979.6 Ų79.652%0.51738%0.38SS..Hα-helixtrans-94.3-40.8-176.5-59.1-179.9-172.371.70112.6E68 C69 K70E68-K72 PolarHBondContact O-NZ 3.41Å; C69-K72 CarbonylContact O-C 3.45Å; C69-K72 WeakPolarHBondContact O-CA 3.39Å; C69-K72 PolarHBondContact O-N 3.35Å; K70-K72 PolarHBondContact O-N 3.35Å
73F84.3Confident88.8Confident55 Ų5580.2 Ų80.224%0.24139%0.39CS..Hα-helixtrans-117.4-10.7-169.5-53.6-36.7000114.6F17 H25 C69 K75F17-F73 HydrophobicContact CB-CD2 4.41Å; F17-F73 HydrophobicContact CD1-CB 4.03Å; F17-F73 HydrophobicContact CD2-CB 4.48Å; F17-F73 HydrophobicContact CD2-CD2 4.46Å; F17-F73 HydrophobicContact CE1-CB 3.93Å; F17-F73 HydrophobicContact CE2-CB 4.4Å; F17-F73 HydrophobicContact CG-CB 4.3Å; F17-F73 HydrophobicContact CG-CD2 4.27Å; F17-F73 HydrophobicContact CZ-CB 4.13Å; H25-F73 HydrophobicContact CB-CB 3.98Å; H25-F73 HydrophobicContact CB-CD1 4.22Å; H25-F73 HydrophobicContact CB-CD2 3.52Å; H25-F73 HydrophobicContact CB-CE2 4.07Å; H25-F73 HydrophobicContact CB-CG 3.64Å; H25-F73 AromaticContact CD2-CD2 3.92Å; H25-F73 AromaticContact CD2-CE2 3.55Å; H25-F73 AromaticContact CD2-CZ 3.98Å; H25-F73 AromaticContact CE1-CE1 3.63Å; H25-F73 AromaticContact CE1-CE2 3.68Å; H25-F73 AromaticContact CE1-CZ 3.27Å; H25-F73 WeakPolarHBondContact CE1-CZ 3.25Å; H25-F73 AromaticContact CG-CD2 3.5Å; H25-F73 AromaticContact CG-CE2 3.5Å; H25-F73 AromaticContact CG-CG 3.84Å; H25-F73 AromaticContact CG-CZ 3.81Å; H25-F73 AromaticContact ND1-CD1 3.62Å; H25-F73 AromaticContact ND1-CD2 3.82Å; H25-F73 AromaticContact ND1-CE1 3.36Å; H25-F73 WeakPolarHBondContact ND1-CE1 3.23Å; H25-F73 AromaticContact ND1-CE2 3.57Å; H25-F73 AromaticContact ND1-CG 3.88Å; H25-F73 AromaticContact ND1-CZ 3.35Å; H25-F73 VanDerWaalsContact ND1-CZ 3.35Å; H25-F73 WeakPolarHBondContact ND1-CZ 3.22Å; H25-F73 AromaticContact NE2-CE2 3.71Å; H25-F73 AromaticContact NE2-CZ 3.7Å; C69-F73 HydrophobicContact CB-CD2 3.71Å; C69-F73 HydrophobicContact CB-CE2 4.05Å; C69-F73 PolarHBondContact O-N 2.88Å; F73-K75 PolarHBondContact O-N 3.31Å
74G82.3Confident88.9Confident33 Ų3385.1 Ų85.134%0.3441%0.413SS..  trans-69.627.5169.600000114.2K70K70-G74 WeakPolarHBondContact O-CA 3.43Å; K70-G74 PolarHBondContact O-N 3.27Å
75K87.3Confident88.9Confident145 Ų14583.2 Ų83.263%0.6341%0.405SS*.SBendtrans-98121.2178-62.2-179-177.8-177.40108.4F73 N77 F82F73-K75 PolarHBondContact O-N 3.31Å; K75-N77 PolarHBondContact O-N 3.21Å; K75-F82 WeakPolarHBondContact O-CE1 3.16Å
76T83.4Confident88.9Confident114 Ų11482.8 Ų82.870%0.69940%0.401SS*.PPolyproline II helixtrans-46.5122.8179.3-51.10000112.1A83T76-A83 HydrophobicContact CG2-CB 3.86Å
77N87.8Confident89Confident63 Ų6389 Ų8934%0.33742%0.424SS..PPolyproline II helixtrans-101.6157.5179.7-154.8-68.3000110.9K75 R79 F82K75-N77 PolarHBondContact O-N 3.21Å; N77-R79 PolarHBondContact O-N 2.92Å; N77-R79 PolarHBondContact OD1-N 2.86Å; N77-F82 HydrophobicContact CB-CB 4.06Å; N77-F82 HydrophobicContact CB-CD1 3.34Å; N77-F82 HydrophobicContact CB-CD2 3.97Å; N77-F82 HydrophobicContact CB-CE1 3.65Å; N77-F82 HydrophobicContact CB-CE2 4.24Å; N77-F82 HydrophobicContact CB-CG 3.5Å; N77-F82 HydrophobicContact CB-CZ 4.1Å
78K89.3Confident89.2Confident216 Ų21683.9 Ų83.994%0.93940%0.401SS*.SBendtrans-76.7-0.4177.9-64.7-173.4177.4-174.60114.1
79R88.5Confident89.3Confident126 Ų12679.9 Ų79.948%0.47538%0.382SS..SBendtrans-76.3135.6175.3-67.3-65.3-165.7174.16.8110G22 W26 N77 F82G22-R79 PolarHBondContact O-NH2 2.64Å; W26-R79 HydrophobicContact CH2-CB 3.81Å; W26-R79 HydrophobicContact CZ3-CB 3.8Å; W26-R79 HydrophobicContact CZ3-CG 4.18Å; N77-R79 PolarHBondContact O-N 2.92Å; N77-R79 PolarHBondContact OD1-N 2.86Å; R79-F82 HydrophobicContact CB-CB 4.21Å; R79-F82 WeakPolarHBondContact O-CB 3.37Å; R79-F82 PolarHBondContact O-N 2.85Å
80K90.6Very high89.4Confident200 Ų20085.2 Ų85.287%0.8741%0.406SS*.THydrogen-bonded Turntrans-55.1145.6169.6-68.6-169.4173.3-170.10110.1W26 F82W26-K80 VanDerWaalsContact CH2-O 3.29Å; W26-K80 WeakPolarHBondContact CH2-O 3.5Å; K80-F82 PolarHBondContact O-N 3.22Å; K80-F82 VanDerWaalsContact O-N 3.12Å
81G90.8Very high89.6Confident14 Ų1485.3 Ų85.314%0.14441%0.41CS..THydrogen-bonded Turntrans73.7-17-176.600000115.7G51 G85G51-G81 WeakPolarHBondContact CA-O 3.27Å; G51-G81 WeakPolarHBondContact O-CA 3.38Å; G81-G85 PolarHBondContact O-N 3.02Å
82F93.1Very high89.5Confident2 Ų281 Ų811%0.00939%0.392CS..Hα-helixtrans-71.5-43.4-176.2-170.9-83.3000113.2P24 H25 W26 K75 N77 R79 K80 E84 G85 L86P24-F82 HydrophobicContact CB-CE2 3.97Å; P24-F82 HydrophobicContact CG-CD2 3.73Å; P24-F82 HydrophobicContact CG-CE2 3.57Å; H25-F82 VanDerWaalsContact O-CE2 3.25Å; H25-F82 WeakPolarHBondContact O-CE2 3.39Å; W26-F82 AromaticContact CD2-CD2 3.83Å; W26-F82 HydrophobicContact CD2-CD2 3.83Å; W26-F82 HydrophobicContact CD2-CE2 4.43Å; W26-F82 AromaticContact CE3-CD2 3.69Å; W26-F82 HydrophobicContact CE3-CD2 3.69Å; W26-F82 HydrophobicContact CE3-CE2 4.35Å; W26-F82 HydrophobicContact CG-CD2 4.42Å; W26-F82 HydrophobicContact CH2-CB 3.88Å; W26-F82 HydrophobicContact CH2-CD2 4.24Å; W26-F82 HydrophobicContact CZ2-CB 3.99Å; W26-F82 HydrophobicContact CZ2-CD2 4.35Å; W26-F82 HydrophobicContact CZ3-CB 4.3Å; W26-F82 AromaticContact CZ3-CD2 3.91Å; W26-F82 HydrophobicContact CZ3-CD2 3.91Å; K75-F82 WeakPolarHBondContact O-CE1 3.16Å; N77-F82 HydrophobicContact CB-CB 4.06Å; N77-F82 HydrophobicContact CB-CD1 3.34Å; N77-F82 HydrophobicContact CB-CD2 3.97Å; N77-F82 HydrophobicContact CB-CE1 3.65Å; N77-F82 HydrophobicContact CB-CE2 4.24Å; N77-F82 HydrophobicContact CB-CG 3.5Å; N77-F82 HydrophobicContact CB-CZ 4.1Å; R79-F82 HydrophobicContact CB-CB 4.21Å; R79-F82 WeakPolarHBondContact O-CB 3.37Å; R79-F82 PolarHBondContact O-N 2.85Å; K80-F82 PolarHBondContact O-N 3.22Å; K80-F82 VanDerWaalsContact O-N 3.12Å; F82-E84 VanDerWaalsContact C-N 3.34Å; F82-G85 PolarHBondContact O-N 2.75Å; F82-L86 HydrophobicContact CD1-CD1 4.06Å; F82-L86 HydrophobicContact CD1-CG 4.25Å; F82-L86 HydrophobicContact CE1-CD1 3.6Å; F82-L86 HydrophobicContact CE1-CD2 4.48Å; F82-L86 HydrophobicContact CE1-CG 3.93Å; F82-L86 PolarHBondContact O-N 2.89Å; F82-L86 VanDerWaalsContact O-N 3.09Å
83A92.4Very high89.2Confident49 Ų4977.7 Ų77.741%0.40538%0.383SS..Hα-helixtrans-66.8-39.5178.200000111.5T76 L86 W87T76-A83 HydrophobicContact CG2-CB 3.86Å; A83-L86 PolarHBondContact O-N 3.3Å; A83-W87 PolarHBondContact O-N 2.84Å
84E93.3Very high88.9Confident103 Ų10380.5 Ų80.548%0.48140%0.404SS..Hα-helixtrans-62-48.2173.3-177.4173.1-175.600110.9F82 L86 W87 E88F82-E84 VanDerWaalsContact C-N 3.34Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.73Å; E84-W87 CarbonylContact O-C 3.57Å; E84-W87 WeakPolarHBondContact O-CA 3.4Å; E84-W87 WeakPolarHBondContact O-CB 3.41Å; E84-W87 PolarHBondContact O-N 2.93Å; E84-E88 WeakPolarHBondContact O-CG 3.4Å; E84-E88 PolarHBondContact O-N 3.19Å
85G93.6Very high88.6Confident0 Ų080.6 Ų80.60%040%0.399CS..Hα-helixtrans-64.8-28.417800000114.7P27 F50 G81 F82 I89P27-G85 VanDerWaalsContact CG-C 3.4Å; F50-G85 VanDerWaalsContact C-CA 3.43Å; F50-G85 VanDerWaalsContact CB-CA 3.45Å; F50-G85 WeakPolarHBondContact CB-O 3.43Å; G81-G85 PolarHBondContact O-N 3.02Å; F82-G85 PolarHBondContact O-N 2.75Å; G85-I89 WeakPolarHBondContact O-CB 3.25Å; G85-I89 WeakPolarHBondContact O-CG2 3.48Å; G85-I89 PolarHBondContact O-N 3.45Å; G85-I89 VanDerWaalsContact O-N 3.14Å
86L92.9Very high88Confident16 Ų1676.2 Ų76.28%0.08438%0.384CS..Hα-helixtrans-70.6-31.4169.5-76.5-177.1000112.5F17 P27 F82 A83 E84 I89F17-L86 HydrophobicContact CE1-CD2 4.07Å; F17-L86 HydrophobicContact CZ-CD2 4.15Å; P27-L86 HydrophobicContact CB-CD2 4.1Å; P27-L86 HydrophobicContact CG-CD2 4.03Å; P27-L86 HydrophobicContact CG-CG 4.25Å; F82-L86 HydrophobicContact CD1-CD1 4.06Å; F82-L86 HydrophobicContact CD1-CG 4.25Å; F82-L86 HydrophobicContact CE1-CD1 3.6Å; F82-L86 HydrophobicContact CE1-CD2 4.48Å; F82-L86 HydrophobicContact CE1-CG 3.93Å; F82-L86 PolarHBondContact O-N 2.89Å; F82-L86 VanDerWaalsContact O-N 3.09Å; A83-L86 PolarHBondContact O-N 3.3Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.73Å; L86-I89 WeakPolarHBondContact O-CG2 3.28Å
87W92.4Very high87.3Confident144 Ų14473.8 Ų73.855%0.54537%0.365SS..Hα-helixtrans-76.1-42174.9-177.284.1000111.4A83 E84 E90 N91 N92A83-W87 PolarHBondContact O-N 2.84Å; E84-W87 CarbonylContact O-C 3.57Å; E84-W87 WeakPolarHBondContact O-CA 3.4Å; E84-W87 WeakPolarHBondContact O-CB 3.41Å; E84-W87 PolarHBondContact O-N 2.93Å; W87-E90 PolarHBondContact O-N 3.22Å; W87-N91 HydrophobicContact CD2-CB 4.27Å; W87-N91 HydrophobicContact CH2-CB 4.29Å; W87-N91 HydrophobicContact CZ2-CB 3.95Å; W87-N91 PolarHBondContact NE1-ND2 3.24Å; W87-N91 WeakPolarHBondContact O-CB 3.42Å; W87-N91 PolarHBondContact O-N 2.69Å; W87-N91 PolarHBondContact O-ND2 2.7Å; W87-N92 WeakPolarHBondContact CH2-ND2 3.44Å; W87-N92 VanDerWaalsContact CZ3-ND2 3.28Å; W87-N92 WeakPolarHBondContact CZ3-ND2 3.32Å
88E93.4Very high86.4Confident17 Ų1778 Ų788%0.07938%0.382CS..Hα-helixtrans-62.2-45.2177.8-72.2-173.3155.200113.2F50 G51 H53 E84 E90 N91 N92F50-E88 WeakPolarHBondContact CA-OE2 3.35Å; F50-E88 HydrophobicContact CB-CB 4.07Å; F50-E88 WeakPolarHBondContact CB-OE2 3.25Å; F50-E88 HydrophobicContact CD1-CB 3.81Å; F50-E88 HydrophobicContact CG-CB 4.21Å; G51-E88 PolarHBondContact N-OE2 3.09Å; H53-E88 IonicContact CD2-OE1 3.43Å; H53-E88 IonicContact CD2-OE2 3.11Å; H53-E88 IonicContact CE1-OE1 2.74Å; H53-E88 PolarHBondContact CE1-OE1 3.17Å; H53-E88 VanDerWaalsContact NE2-CD 3.31Å; H53-E88 IonicContact NE2-OE1 3.6Å; H53-E88 PolarHBondContact NE2-OE1 3.41Å; H53-E88 IonicContact NE2-OE2 3.5Å; H53-E88 PolarHBondContact NE2-OE2 3.02Å; H53-E88 VanDerWaalsContact NE2-OE2 3.11Å; E84-E88 WeakPolarHBondContact O-CG 3.4Å; E84-E88 PolarHBondContact O-N 3.19Å; E88-E90 PolarHBondContact O-N 3.28Å; E88-E90 VanDerWaalsContact O-N 3.16Å; E88-N91 PolarHBondContact O-N 3.43Å; E88-N92 CarbonylContact O-C 3.57Å; E88-N92 WeakPolarHBondContact O-CA 3.33Å; E88-N92 PolarHBondContact O-N 3.46Å
89I91Very high85.2Confident3 Ų370.3 Ų70.32%0.01536%0.359CS..Hα-helixtrans-62.3-25-178.9-165.8162.1000112.9L15 P27 F50 Y66 G85 L86L15-I89 HydrophobicContact CB-CD1 4.24Å; L15-I89 HydrophobicContact CB-CG1 4.37Å; L15-I89 HydrophobicContact CD1-CG1 4.02Å; L15-I89 HydrophobicContact CD2-CD1 4.48Å; L15-I89 HydrophobicContact CD2-CG1 4.08Å; L15-I89 HydrophobicContact CG-CG1 4.38Å; P27-I89 HydrophobicContact CB-CB 4.33Å; P27-I89 HydrophobicContact CB-CD1 3.95Å; P27-I89 HydrophobicContact CB-CG2 4.06Å; F50-I89 HydrophobicContact CD2-CB 3.7Å; F50-I89 HydrophobicContact CD2-CD1 3.86Å; F50-I89 HydrophobicContact CD2-CG1 3.91Å; F50-I89 HydrophobicContact CE2-CB 3.79Å; F50-I89 HydrophobicContact CE2-CD1 3.7Å; F50-I89 HydrophobicContact CE2-CG1 3.57Å; F50-I89 HydrophobicContact CG-CB 4.3Å; F50-I89 HydrophobicContact CZ-CB 4.44Å; F50-I89 HydrophobicContact CZ-CG1 4.32Å; Y66-I89 HydrophobicContact CD2-CD1 3.53Å; Y66-I89 HydrophobicContact CD2-CG1 4.19Å; Y66-I89 HydrophobicContact CD2-CG2 4.44Å; Y66-I89 HydrophobicContact CE2-CD1 3.96Å; Y66-I89 HydrophobicContact CE2-CG1 4.23Å; Y66-I89 HydrophobicContact CE2-CG2 3.75Å; Y66-I89 HydrophobicContact CG-CD1 4.08Å; G85-I89 WeakPolarHBondContact O-CB 3.25Å; G85-I89 WeakPolarHBondContact O-CG2 3.48Å; G85-I89 PolarHBondContact O-N 3.45Å; G85-I89 VanDerWaalsContact O-N 3.14Å; L86-I89 WeakPolarHBondContact O-CG2 3.28Å
90E90.1Very high84.1Confident126 Ų12668.8 Ų68.859%0.58935%0.354SS*.Hα-helixtrans-91.6-36.1177.2-69.7178.1-164.800113.3Y66 W87 E88Y66-E90 VanDerWaalsContact OH-CG 3.27Å; Y66-E90 WeakPolarHBondContact OH-CG 3.39Å; Y66-E90 PolarHBondContact OH-OE1 3.34Å; W87-E90 PolarHBondContact O-N 3.22Å; E88-E90 PolarHBondContact O-N 3.28Å; E88-E90 VanDerWaalsContact O-N 3.16Å
91N90.3Very high82.8Confident84 Ų8462.8 Ų62.845%0.44933%0.329SS..Hα-helixtrans-108.4-29.7-169.4-64.2-94.1000113.9W87 E88W87-N91 HydrophobicContact CD2-CB 4.27Å; W87-N91 HydrophobicContact CH2-CB 4.29Å; W87-N91 HydrophobicContact CZ2-CB 3.95Å; W87-N91 PolarHBondContact NE1-ND2 3.24Å; W87-N91 WeakPolarHBondContact O-CB 3.42Å; W87-N91 PolarHBondContact O-N 2.69Å; W87-N91 PolarHBondContact O-ND2 2.7Å; E88-N91 PolarHBondContact O-N 3.43Å
92N85.6Confident81.3Confident73 Ų7365.4 Ų65.439%0.3935%0.345SS..  trans-14153.7-175.4-67.5-75.7000112.5W87 E88 T94 V95W87-N92 WeakPolarHBondContact CH2-ND2 3.44Å; W87-N92 VanDerWaalsContact CZ3-ND2 3.28Å; W87-N92 WeakPolarHBondContact CZ3-ND2 3.32Å; E88-N92 CarbonylContact O-C 3.57Å; E88-N92 WeakPolarHBondContact O-CA 3.33Å; E88-N92 PolarHBondContact O-N 3.46Å; N92-T94 PolarHBondContact O-N 2.85Å; N92-V95 WeakPolarHBondContact O-CG1 3.36Å; N92-V95 PolarHBondContact O-N 2.74Å
93P81.1Confident79.7Confident48 Ų4868 Ų6831%0.31237%0.367SS..THydrogen-bonded Turntrans-62.4-15.9-175.526.1-35.8000114.1L15 R29 F50L15-P93 HydrophobicContact CD1-CB 4.33Å; L15-P93 HydrophobicContact CD2-CB 4.06Å; R29-P93 PolarHBondContact NH1-O 3.06Å; F50-P93 HydrophobicContact CZ-CB 4.46Å
94T76.8Confident78Confident114 Ų11470.3 Ų70.370%0.69937%0.368SS*.THydrogen-bonded Turntrans-80.8-10.8-179.447.60000114.9R29 N92 T96R29-T94 PolarHBondContact NH1-O 3.24Å; N92-T94 PolarHBondContact O-N 2.85Å; T94-T96 PolarHBondContact O-N 3.25Å; T94-T96 VanDerWaalsContact O-N 3.15Å
95V77.1Confident76.2Confident36 Ų3671.1 Ų71.122%0.21838%0.376CS..  trans-55118.1-178.863.30000112.5R29 F48 F50 N92R29-V95 PolarHBondContact NH1-O 3.39Å; R29-V95 PolarHBondContact NH2-O 2.92Å; F48-V95 HydrophobicContact CE1-CG1 4Å; F48-V95 WeakPolarHBondContact CE1-O 3.13Å; F48-V95 HydrophobicContact CZ-CG1 4.28Å; F48-V95 WeakPolarHBondContact CZ-O 3.36Å; F50-V95 HydrophobicContact CD1-CG1 3.82Å; F50-V95 HydrophobicContact CE1-CG1 3.82Å; N92-V95 WeakPolarHBondContact O-CG1 3.36Å; N92-V95 PolarHBondContact O-N 2.74Å
96T74.6Confident74.2Confident52 Ų5279 Ų7932%0.31941%0.413SS..  trans-97.3152.3-178.252.70000111.9T94 E98 A99 Y100T94-T96 PolarHBondContact O-N 3.25Å; T94-T96 VanDerWaalsContact O-N 3.15Å; T96-E98 PolarHBondContact O-N 2.9Å; T96-A99 PolarHBondContact O-N 3.11Å; T96-A99 WeakPolarHBondContact OG1-CB 3.36Å; T96-A99 PolarHBondContact OG1-N 2.95Å; T96-Y100 PolarHBondContact O-N 3.43Å
97H69.4Low72.2Confident64 Ų6485.4 Ų85.430%0.29645%0.447SS..Hα-helixtrans-56-37.6170.2-178.4-109000112.3F48 H53 T55 A99 Y100 E101F48-H97 HydrophobicContact CD2-CB 3.99Å; F48-H97 HydrophobicContact CE2-CB 3.85Å; H53-H97 PolarHBondContact O-CD2 3.12Å; H53-H97 VanDerWaalsContact O-CD2 3.25Å; T55-H97 HydrophobicContact CG2-CB 4.19Å; H97-A99 PolarHBondContact O-N 2.83Å; H97-Y100 PolarHBondContact O-N 3.26Å; H97-E101 VanDerWaalsContact CE1-CG 3.44Å; H97-E101 WeakPolarHBondContact CE1-CG 3.4Å; H97-E101 PolarHBondContact O-N 3.47Å
98E67.8Low69.8Low151 Ų15182.3 Ų82.371%0.70645%0.447SS*.Hα-helixtrans-62.4-39.4178.3-173.7172.1-136.700112.9T96 S102T96-E98 PolarHBondContact O-N 2.9Å; E98-S102 VanDerWaalsContact O-CB 3.32Å; E98-S102 WeakPolarHBondContact O-CB 3.43Å; E98-S102 PolarHBondContact O-N 3.48Å; E98-S102 PolarHBondContact O-OG 3.44Å
99A64.4Low67.3Low55 Ų5586.1 Ų86.146%0.45548%0.476SS..Hα-helixtrans-66.9-39.3175.100000111.9T96 H97 A103T96-A99 PolarHBondContact O-N 3.11Å; T96-A99 WeakPolarHBondContact OG1-CB 3.36Å; T96-A99 PolarHBondContact OG1-N 2.95Å; H97-A99 PolarHBondContact O-N 2.83Å; A99-A103 PolarHBondContact O-N 3.44Å
100Y64.6Low65Low94 Ų9495.3 Ų95.337%0.36952%0.519SS..Hα-helixtrans-70.7-46.9178.1-176.6-103.7000112.8H53 T96 H97 S102 A103 K104H53-Y100 HydrophobicContact CB-CD1 3.89Å; H53-Y100 HydrophobicContact CB-CD2 4.5Å; H53-Y100 HydrophobicContact CB-CE1 4.38Å; H53-Y100 HydrophobicContact CB-CG 3.94Å; H53-Y100 AromaticContact CE1-CD2 3.84Å; H53-Y100 AromaticContact CG-CG 3.96Å; H53-Y100 AromaticContact ND1-CD1 3.99Å; H53-Y100 AromaticContact ND1-CD2 3.13Å; H53-Y100 WeakPolarHBondContact ND1-CD2 3.2Å; H53-Y100 AromaticContact ND1-CE2 3.36Å; H53-Y100 WeakPolarHBondContact ND1-CE2 3.2Å; H53-Y100 AromaticContact ND1-CG 3.46Å; H53-Y100 AromaticContact ND1-CZ 3.88Å; T96-Y100 PolarHBondContact O-N 3.43Å; H97-Y100 PolarHBondContact O-N 3.26Å; Y100-S102 VanDerWaalsContact C-N 3.29Å; Y100-S102 PolarHBondContact O-N 3.35Å; Y100-A103 PolarHBondContact O-N 3.44Å; Y100-K104 HydrophobicContact CD1-CD 4.28Å; Y100-K104 HydrophobicContact CE1-CD 3.62Å; Y100-K104 VanDerWaalsContact O-CB 3.22Å; Y100-K104 WeakPolarHBondContact O-CB 3.29Å; Y100-K104 PolarHBondContact O-N 3.36Å
101E63.8Low62.9Low73 Ų7393.5 Ų93.534%0.34153%0.525SS..Hα-helixtrans-64.1-35178-75-68.9113.400111.8H97 K104 N105H97-E101 VanDerWaalsContact CE1-CG 3.44Å; H97-E101 WeakPolarHBondContact CE1-CG 3.4Å; H97-E101 PolarHBondContact O-N 3.47Å; E101-K104 PolarHBondContact O-N 3.28Å; E101-K104 IonicContact OE1-NZ 2.73Å; E101-K104 PolarHBondContact OE1-NZ 3.29Å; E101-N105 VanDerWaalsContact O-CB 3.28Å; E101-N105 WeakPolarHBondContact O-CB 3.37Å; E101-N105 PolarHBondContact O-N 3.4Å
102S60.4Low60.7Low69 Ų6996.5 Ų96.548%0.48355%0.547SS..Hα-helixtrans-60.1-51.4172.9-60.20000111.6E98 Y100 K104 N105 E106E98-S102 VanDerWaalsContact O-CB 3.32Å; E98-S102 WeakPolarHBondContact O-CB 3.43Å; E98-S102 PolarHBondContact O-N 3.48Å; E98-S102 PolarHBondContact O-OG 3.44Å; Y100-S102 VanDerWaalsContact C-N 3.29Å; Y100-S102 PolarHBondContact O-N 3.35Å; S102-K104 VanDerWaalsContact C-N 3.34Å; S102-K104 PolarHBondContact O-N 3.32Å; S102-N105 PolarHBondContact O-N 2.73Å; S102-E106 PolarHBondContact O-N 2.92Å
103A59.3Low58.5Low58 Ų5896.8 Ų96.848%0.47957%0.566SS.*Hα-helixtrans-65.9-34.3178.900000113.2A99 Y100 N107A99-A103 PolarHBondContact O-N 3.44Å; Y100-A103 PolarHBondContact O-N 3.44Å; A103-N107 PolarHBondContact O-N 2.86Å
104K57.4Low56.5Low97 Ų97102.2 Ų102.242%0.42259%0.593SS.*Hα-helixtrans-72.5-33.4177.8179.3173.6152-148.70112.4Y100 E101 S102 N107 S108Y100-K104 HydrophobicContact CD1-CD 4.28Å; Y100-K104 HydrophobicContact CE1-CD 3.62Å; Y100-K104 VanDerWaalsContact O-CB 3.22Å; Y100-K104 WeakPolarHBondContact O-CB 3.29Å; Y100-K104 PolarHBondContact O-N 3.36Å; E101-K104 PolarHBondContact O-N 3.28Å; E101-K104 IonicContact OE1-NZ 2.73Å; E101-K104 PolarHBondContact OE1-NZ 3.29Å; S102-K104 VanDerWaalsContact C-N 3.34Å; S102-K104 PolarHBondContact O-N 3.32Å; K104-N107 CarbonylContact O-C 3.49Å; K104-N107 PolarHBondContact O-N 3.12Å; K104-S108 WeakPolarHBondContact O-CB 3.28Å; K104-S108 PolarHBondContact O-N 3.11Å; K104-S108 VanDerWaalsContact O-N 3.11Å
105N54.8Low55.1Low120 Ų120104.8 Ų104.864%0.64260%0.601SS**Hα-helixtrans-70-37.3177.5-158.623.7000111.5E101 S102 N107 S108E101-N105 VanDerWaalsContact O-CB 3.28Å; E101-N105 WeakPolarHBondContact O-CB 3.37Å; E101-N105 PolarHBondContact O-N 3.4Å; S102-N105 PolarHBondContact O-N 2.73Å; N105-N107 VanDerWaalsContact C-N 3.27Å; N105-N107 PolarHBondContact O-N 3.14Å; N105-S108 PolarHBondContact O-N 3.4Å; N105-S108 VanDerWaalsContact O-N 3.14Å
106E51.6Low53.2Low165 Ų165106.7 Ų106.777%0.77163%0.627SS**Hα-helixtrans-65.1-27.7171.3-69.4-171.1109.900113.2S102S102-E106 PolarHBondContact O-N 2.92Å
107N50.2Low51.6Low150 Ų150108.2 Ų108.280%0.80265%0.654SS**THydrogen-bonded Turntrans-92.96.2174.4-154.6107.3000113.2A103 K104 N105A103-N107 PolarHBondContact O-N 2.86Å; K104-N107 CarbonylContact O-C 3.49Å; K104-N107 PolarHBondContact O-N 3.12Å; N105-N107 VanDerWaalsContact C-N 3.27Å; N105-N107 PolarHBondContact O-N 3.14Å
108S42Very low50.3Low79 Ų79111.2 Ų111.255%0.55268%0.682SS**  trans-125.622.5-175.9-170.10000113.4K104 N105K104-S108 WeakPolarHBondContact O-CB 3.28Å; K104-S108 PolarHBondContact O-N 3.11Å; K104-S108 VanDerWaalsContact O-N 3.11Å; N105-S108 PolarHBondContact O-N 3.4Å; N105-S108 VanDerWaalsContact O-N 3.14Å
109S41.8Very low49.2Very low97 Ų97110.9 Ų110.968%0.67868%0.68SS**  trans-99.537.6-179.469.30000114.6
110E41.6Very low48.3Very low197 Ų197116.9 Ų116.992%0.92170%0.696SS**SBendtrans-137.946170.3-71.6-148.1120.600113
111A46.8Very low47Very low87 Ų87116.8 Ų116.872%0.71972%0.715SS**  trans-151.629.717900000117.6
112T44Very low46.1Very low148 Ų148120.7 Ų120.791%0.90874%0.738SS**  trans-147.6120.816457.80000110.7
113G39.9Very low45.1Very low78 Ų78124.2 Ų124.280%0.80476%0.757SS**  cis175.3177.7-6.400000110
114D37.8Very low44.5Very low162 Ų162130.7 Ų130.787%0.86678%0.777SS**  trans-145.7150.6161.4-171.6-144.1000110.5
115I48.6Very low43.5Very low168 Ų168129.5 Ų129.586%0.86279%0.793SS**  trans-115.7111.9-170.6-64170.2000109.5
116G36.6Very low43.1Very low76 Ų76129.7 Ų129.778%0.78480%0.803SS**  trans-159.4100.9173.600000112
117G41.6Very low42.9Very low84 Ų84126.5 Ų126.587%0.86680%0.799SS**  trans-84.7152.6179.100000113.4
118S40.9Very low42.8Very low127 Ų127126.1 Ų126.189%0.88880%0.797SS**  trans-153.2150.3152.7-167.90000110
119E45Very low43.4Very low144 Ų144130.7 Ų130.767%0.67381%0.81SS**  trans-89159.6-175.1-50.6168.645.400113.3
120K46.7Very low43.9Very low181 Ų181133.8 Ų133.879%0.78781%0.813SS**  trans67.2139.2160.6-44.1-165.6173.283.40114.8
121A36.7Very low44Very low93 Ų93133.4 Ų133.477%0.76981%0.812SS**  cis-162.9173.242.500000112.4
122N45.1Very low43.9Very low154 Ų154132.5 Ų132.582%0.82481%0.811SS**  trans-60.1152.1165.1-45.4-87.6000111.3
123T39.6Very low43.9Very low143 Ų143130.5 Ų130.588%0.87780%0.798SS**  trans-169.5142.7135.1-79.20000110.1
124E46.7Very low44.1Very low195 Ų195134.5 Ų134.591%0.91180%0.801SS**  trans-89.8147.7177.5-57.7160.4111.100110.4
125G36.2Very low44.4Very low72 Ų72133 Ų13374%0.74279%0.791SS**  trans152.2120.3173.900000111
126S46.3Very low44.5Very low123 Ų123133.1 Ų133.186%0.8679%0.792SS**  cis84.887.942.6-167.50000113.9
127S47.6Very low45Very low99 Ų99135.5 Ų135.569%0.69279%0.787SS**  trans-168.3118.7152.7-127.40000103.5
128D46.5Very low45.4Very low141 Ų141138.4 Ų138.475%0.75478%0.778SS**  cis60.590.726.1-150.4-107.5000114
129E54.6Low45.8Very low175 Ų175140.4 Ų140.482%0.81877%0.77SS**  trans-153.1124.2144.144.6-153104.600108.3
130E52.7Low45.5Very low162 Ų162139.7 Ų139.776%0.75777%0.771SS**  trans-70.1159.8178.6-66.7-17676.300112.1
131E44.7Very low45.4Very low190 Ų190136.7 Ų136.789%0.88876%0.76SS**  161.9109.8124.2-83.2-98.295.700109.1
132G44.3Very low45.8Very low68 Ų68142.7 Ų142.770%0.70176%0.763SS**  trans-173.918.6-176.500000115.6L134G132-L134 PolarHBondContact O-N 2.86Å
133T43.3Very low45.5Very low105 Ų105139.2 Ų139.264%0.64476%0.763SS**  trans-75.591.8-174.9-57.30000111.1I135T133-I135 HydrophobicContact CG2-CD1 3.86Å; T133-I135 HydrophobicContact CG2-CG1 4.01Å; T133-I135 PolarHBondContact O-N 3.28Å; T133-I135 VanDerWaalsContact O-N 3.08Å
134L43.8Very low45.6Very low162 Ų162135.9 Ų135.985%0.84876%0.757SS**  trans-79.987.1168.1-70-178.5000110.7G132 I136G132-L134 PolarHBondContact O-N 2.86Å; L134-I136 PolarHBondContact O-N 3.39Å
135I44.1Very low45.8Very low132 Ų132132.6 Ų132.668%0.67775%0.75SS**  trans-58124.1162.5-64.1114.5000109.2T133 D137T133-I135 HydrophobicContact CG2-CD1 3.86Å; T133-I135 HydrophobicContact CG2-CG1 4.01Å; T133-I135 PolarHBondContact O-N 3.28Å; T133-I135 VanDerWaalsContact O-N 3.08Å; I135-D137 HydrophobicContact CG2-CB 4Å
136I51.7Low46.3Very low170 Ų170136.5 Ų136.587%0.87275%0.747SS**  trans-121.499.2160.6-58.4176.1000106.1L134L134-I136 PolarHBondContact O-N 3.39Å
137D46.9Very low46.5Very low126 Ų126140.5 Ų140.567%0.67474%0.743SS**  trans-109143.7178.7-165.9-135.6000110.9I135I135-D137 HydrophobicContact CG2-CB 4Å
138E50.6Low46.4Very low144 Ų144144.1 Ų144.167%0.67375%0.747SS**  trans56.5127.2153.7-154.915975.700119.1
139K48.6Very low46.1Very low169 Ų169142 Ų14274%0.73575%0.748SS**  cis174.4179.8-1.9153.2-177.6178.9-175.40110.3
140N39.3Very low45.5Very low129 Ų129141.1 Ų141.169%0.6974%0.744SS**  trans109.7127.5164.9-142.666.5000113.4
141E43.7Very low44.7Very low118 Ų118142.7 Ų142.755%0.55175%0.752SS**  cis-163.5156.4-2.5-128.8178.6146.300113.1
142R46.4Very low44.6Very low220 Ų220138.8 Ų138.883%0.8375%0.745SS**  trans60.4130.6152.7-67.7168.9-155.8-172.612.4122.9
143G38.4Very low44.5Very low80 Ų80142.9 Ų142.983%0.82576%0.757SS**  trans122.488155.500000113.5
144G41.3Very low44.3Very low73 Ų73146.2 Ų146.275%0.75377%0.765SS**  78.9120.687.800000111.8
145T50.6Low43.9Very low126 Ų126147.1 Ų147.177%0.77377%0.765SS**  cis-164.8143.417.9-6.30000112.9
146K46.6Very low43.8Very low155 Ų155145.8 Ų145.867%0.67477%0.767SS**  trans67.4111144.6-76.8164.5173.6170.20122.9
147R51.1Low43.7Very low206 Ų206144 Ų14478%0.77777%0.767SS**  66.7110.7128.2-58.4179.5-66.6-168.76.2117.2
148K46Very low43.4Very low176 Ų176147.4 Ų147.477%0.76578%0.776SS**  59.111064.8-175168.4-179.9153.30114.3E150K148-E150 VanDerWaalsContact CE-OE2 3.31Å; K148-E150 WeakPolarHBondContact CE-OE2 3.22Å; K148-E150 IonicContact NZ-OE2 2.86Å; K148-E150 PolarHBondContact NZ-OE2 3.03Å
149A40.6Very low42.9Very low96 Ų96151.9 Ų151.979%0.79379%0.786SS**  -160.1137.1126.900000109.5
150E40.3Very low42.8Very low156 Ų156149 Ų14973%0.72978%0.784SS**  trans-87152.4168.4-58.4151.587.300107.9K148K148-E150 VanDerWaalsContact CE-OE2 3.31Å; K148-E150 WeakPolarHBondContact CE-OE2 3.22Å; K148-E150 IonicContact NZ-OE2 2.86Å; K148-E150 PolarHBondContact NZ-OE2 3.03Å
151E36.3Very low42.4Very low196 Ų196150.6 Ų150.692%0.91679%0.785SS**  trans-161.6139.1133.3-164.4144.873.900110.9
152S43.6Very low42.2Very low107 Ų107151.8 Ų151.875%0.74879%0.794SS**  trans-77.1150.4177.9-50.60000111.7
153T41.1Very low41.5Very low154 Ų154144.9 Ų144.995%0.94578%0.776SS**  trans-158.4162137.32.20000112
154E38.7Very low41.6Very low175 Ų175149.4 Ų149.482%0.81878%0.776SS**  trans-98.4173.7-158.2-171.3162.65600113.1
155E35.2Very low41.6Very low182 Ų182153 Ų15385%0.8577%0.773SS**  trans91.2141.2152-146.7159.486.600120.2
156S43.9Very low40.8Very low103 Ų103155.7 Ų155.772%0.7278%0.777SS**  trans-88.4172.5178.4-57.20000111.2
157P47.6Very low39.9Very low132 Ų132151 Ų15186%0.85777%0.773SS**  -152.8176.6100.935.7-16.4000116.8
158K42.3Very low39.2Very low199 Ų199150.4 Ų150.487%0.86578%0.779SS**  trans-103.7147175.7-59169.3179.1170.20111.6
159R40.3Very low39Very low238 Ų238151 Ų15190%0.89878%0.781SS**  trans67.1141.5143.4-171.5-178.8-166.9-164.310120.8
160P45.5Very low38.9Very low107 Ų107152.1 Ų152.170%0.69578%0.781SS**  trans-103.1159.1150.937.4-30.9000112.1
161K31.4Very low38.7Very low163 Ų163151.2 Ų151.271%0.70978%0.781SS**  cis75.975.139.1-136.1-81.5157.91720115.3T163K161-T163 PolarHBondContact NZ-O 3.08Å
162I38Very low38.7Very low144 Ų144148.6 Ų148.674%0.73878%0.779SS**  trans-58.5156154.259.7-177.3000113.3
163T31.9Very low38.4Very low74 Ų74152.1 Ų152.145%0.45478%0.783SS.*  trans70.2139.1152.7-450000113.9K161 E165K161-T163 PolarHBondContact NZ-O 3.08Å; T163-E165 WeakPolarHBondContact CA-OE2 3.31Å; T163-E165 WeakPolarHBondContact CG2-OE1 3.18Å
164E40.5Very low38.4Very low176 Ų176149.7 Ų149.782%0.82278%0.779SS**  cis-136147.543.2-70.6155.4145.300112.5
165E41.3Very low38.3Very low148 Ų148149.4 Ų149.469%0.69278%0.775SS**  trans-113.7174.2-169.6-51.480.210.700111.8T163T163-E165 WeakPolarHBondContact CA-OE2 3.31Å; T163-E165 WeakPolarHBondContact CG2-OE1 3.18Å
166E33.8Very low38.5Very low182 Ų182149 Ų14985%0.8578%0.777SS**  cis-121-108.79.4-160.7-158-134.900111.6
167G29Very low38.2Very low57 Ų57150.7 Ų150.759%0.58878%0.779SS**  cis-172.2177.7-4.900000116.2
168E35.1Very low37.7Very low193 Ų193152.2 Ų152.290%0.90278%0.78SS**  trans68136.6-172.9-71.3-168.481.900118.6
169K41.9Very low37.8Very low188 Ų188148.3 Ų148.382%0.81777%0.772SS**  trans-110.3159.9170.9-52.9176.9-179.3175.50107.8
170P40.3Very low37.6Very low120 Ų120146.3 Ų146.378%0.77977%0.773SS**  -149.5153.590.635.5-17.4000117.2
171N34.7Very low37Very low137 Ų137144 Ų14473%0.73377%0.768SS**  trans-5.1129.2139.6170.532.3000118
172T36.1Very low37.3Very low142 Ų142143.7 Ų143.787%0.87178%0.78SS**  trans-154.4136131.40.10000112.7
173E37.3Very low37.2Very low180 Ų180146.3 Ų146.384%0.84179%0.786SS**  trans-95.6133.4179.3174.7-179.992.100110.6
174A41.2Very low37.3Very low104 Ų104146.4 Ų146.486%0.8680%0.795SS**  trans-154.383.1169.700000112.9
175K37.7Very low36.9Very low169 Ų169144.3 Ų144.374%0.73579%0.794SS**  trans-56.1137.4162160-164.9175.4-171.30112.1
176L38.8Very low37Very low172 Ų172141.6 Ų141.690%0.90180%0.797SS**  trans-146.2126.4139.1-79.9-171.9000110.2
177N36.8Very low37.9Very low139 Ų139138.4 Ų138.474%0.74379%0.792SS**  trans-113.3138.8171-57-8000106.9
178D38.3Very low38.2Very low164 Ų164141.1 Ų141.188%0.87780%0.802SS**  trans-103.3160.4168.4-163.2-112.6000111.1
179V44.4Very low38.4Very low118 Ų118137 Ų13772%0.71579%0.794SS**  trans-139.9118.1-151.451.90000114
180E36.3Very low38.5Very low196 Ų196136.6 Ų136.692%0.91680%0.796SS**  trans-161.2141.3147.4-120174.661.100108.9
181G33.1Very low38.3Very low57 Ų57135.6 Ų135.659%0.58879%0.791SS**  cis132.176.6-2.200000112.9
182T36.6Very low38.6Very low157 Ų157138 Ų13896%0.96380%0.798SS**  trans-166166.4150.612.70000111.3
183K35.8Very low38.8Very low199 Ų199137 Ų13787%0.86580%0.797SS**  trans-145.5148.9-143.6-178.4-148.4175.2-176.30111.9
184A34.8Very low39Very low77 Ų77137.7 Ų137.764%0.63680%0.797SS**  trans106.5144.5143.100000120.7
185T32.6Very low39.6Very low132 Ų132137.6 Ų137.681%0.8179%0.788SS**  trans84.288.5149.8-44.30000117
186A43.1Very low39.5Very low90 Ų90139.1 Ų139.174%0.74480%0.797SS**  76.6166.576.100000113.3
187P52.7Low39.3Very low115 Ų115134.2 Ų134.275%0.74779%0.788SS**  -127.4164.9-116.329.9-7.9000117
188S34.7Very low39.5Very low114 Ų114137 Ų13780%0.79780%0.797SS**  trans-159131.8154.7-76.80000108
189S39.7Very low39.5Very low106 Ų106137.3 Ų137.374%0.74179%0.793SS**  cis78.294.737.6-59.40000114.4
190Q43.4Very low39.5Very low181 Ų181140.4 Ų140.485%0.84680%0.797SS**  trans-178.3116.9132.6-96.1166.14.300106
191S37.3Very low40.1Very low99 Ų99135.2 Ų135.269%0.69279%0.787SS**  47.2126.395.966.40000112.2
192E39.4Very low41.1Very low188 Ų188138.5 Ų138.588%0.87980%0.799SS**  -131.9168.366.1-73.1177.5100.100116.2
193S41.3Very low41.5Very low119 Ų119135.1 Ų135.183%0.83279%0.787SS**  trans-148.9156.5173.3-68.70000110
194K41.7Very low41.7Very low195 Ų195133.9 Ų133.985%0.84878%0.784SS**  trans88.5149.4168.5-87.9-160.473-167.60119.5
195P53.1Low42.4Very low103 Ų103134.8 Ų134.867%0.66979%0.791SS**  trans-103163.518041.3-35.2000113.3
196E35.1Very low42.9Very low200 Ų200136.2 Ų136.294%0.93579%0.789SS**  trans-148.1159.7152.3-107170.467.600106.2
197G36.1Very low43.1Very low69 Ų69139.2 Ų139.271%0.71179%0.792SS**  cis179.9155.12.200000107.7
198Q39.7Very low42.8Very low197 Ų197140 Ų14092%0.92179%0.794SS**  trans-70.6141.2177.1-60.7152.6-7200110
199E39.5Very low43.7Very low172 Ų172139.1 Ų139.180%0.80479%0.794SS**  -172.8119.1126.6-161.9169.489.800111.6
200K43.5Very low44.5Very low182 Ų182142.3 Ų142.379%0.79180%0.797SS**  174.9107.3116.3-95.5-166.3176.5-167.40112.4
201A49.3Very low45.6Very low87 Ų87143.2 Ų143.272%0.71980%0.798SS**  trans-72.6163.5137.400000108.9
202P54.2Low46.7Very low127 Ų127143.7 Ų143.783%0.82580%0.8SS**  -128.3152.8114.435.9-31.1000112.5
203A44.3Very low47.3Very low86 Ų86141 Ų14171%0.71180%0.795SS**  trans-92.2166.9169.200000111.3
204E40.9Very low48.3Very low172 Ų172141.5 Ų141.580%0.80479%0.794SS**  trans58.5106.8159.3-71.3-170.770.900121
205A49.3Very low48.9Very low96 Ų96138.8 Ų138.879%0.79379%0.788SS**  -161.2104.2120.500000106.8
206Q43Very low49.6Very low163 Ų163139.2 Ų139.276%0.76279%0.794SS**  68.2133.385.8-70.7-151.656.800116
207L47.8Very low50.8Low153 Ų153137.5 Ų137.580%0.80181%0.814SS**  trans-22.9134.5176.5-7361.4000117.8
208T46.1Very low51.5Low130 Ų130141 Ų14180%0.79882%0.819SS**  -140118.3113.744.30000110.5
209A54Low52.1Low97 Ų97138 Ų13880%0.80281%0.814SS**  trans-102107.6167.100000108.4
210E54.6Low52.8Low172 Ų172136.1 Ų136.180%0.80482%0.815SS**  trans-114.199.3174.9-65.3-163.489.100110.2
211K66.8Low53.4Low200 Ų200133.4 Ų133.487%0.8782%0.816SS**  26.3155.6126.9-69.3-176176.3-177.80120.1
212P61.8Low53.6Low110 Ų110136.3 Ų136.371%0.71482%0.822SS**  cis-130.8163.216.637.8-20.9000116.8
213V52.1Low53.6Low130 Ų130136.9 Ų136.979%0.78882%0.822SS**  trans-63130.1156.5163.40000109.5D215V213-D215 HydrophobicContact CG1-CB 3.98Å
214T62.3Low54.3Low130 Ų130140.6 Ų140.680%0.79883%0.83SS**  trans-106.692.9153.452.20000108.4
215D54Low55.3Low138 Ų138138.2 Ų138.274%0.73883%0.832SS**  trans-74.8131.8160.2-174.2-108.3000107.1V213V213-D215 HydrophobicContact CG1-CB 3.98Å
216S66.3Low55.8Low112 Ų112141.7 Ų141.778%0.78384%0.835SS**  trans-134.8104.3171.7-71.30000108.3
217A60.7Low57Low165 Ų165139.7 Ų139.7100%1.36484%0.842SS**  trans-69.20161.700000111.6

Retrieved 217 of 217 residues in 192.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).