==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-NOV-03 1V3W . COMPND 2 MOLECULE: FERRIPYOCHELIN BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR J.JEYAKANTHAN,T.H.TAHIROV,RIKEN STRUCTURAL GENOMICS/PROTEOMI . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 87.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 30 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 26 0, 0.0 2,-0.7 0, 0.0 20,-0.3 0.000 360.0 360.0 360.0-141.6 -21.9 28.6 34.8 2 2 A A E -a 24 0A 31 21,-3.0 23,-2.3 18,-0.3 2,-0.4 -0.944 360.0-161.9 -95.9 120.3 -25.3 27.1 35.5 3 3 A I E +a 25 0A 68 -2,-0.7 2,-0.3 21,-0.2 23,-0.2 -0.918 12.8 179.9-115.0 137.1 -24.1 25.1 38.5 4 4 A Y E -a 26 0A 127 21,-3.0 23,-2.2 -2,-0.4 2,-0.3 -0.952 22.2-145.5-137.3 155.1 -26.0 22.1 40.1 5 5 A E - 0 0 115 -2,-0.3 2,-0.4 21,-0.2 5,-0.2 -0.754 15.7-154.1-107.5 159.0 -25.8 19.5 42.8 6 6 A I B > -L 9 0B 66 3,-1.6 3,-1.9 -2,-0.3 2,-0.1 -0.931 60.8 -47.4-144.2 113.6 -27.2 16.0 42.3 7 7 A N T 3 S- 0 0 150 -2,-0.4 20,-0.1 1,-0.3 -2,-0.0 -0.415 130.1 -8.1 54.3-122.0 -28.3 14.1 45.3 8 8 A G T 3 S+ 0 0 85 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.578 114.0 94.9 -82.8 1.3 -25.4 14.6 47.8 9 9 A K B < +L 6 0B 95 -3,-1.9 -3,-1.6 36,-0.1 18,-0.3 -0.777 41.7 178.0-105.6 128.8 -22.8 16.3 45.6 10 10 A K - 0 0 145 -2,-0.5 -5,-0.1 -5,-0.2 16,-0.1 -0.885 40.6-103.8-113.5 137.8 -22.1 19.9 45.2 11 11 A P - 0 0 10 0, 0.0 2,-0.8 0, 0.0 19,-0.2 -0.339 25.6-137.3 -61.4 144.1 -19.3 21.1 42.9 12 12 A R E +b 30 0A 191 17,-2.9 19,-2.7 15,-0.1 2,-0.5 -0.906 31.0 178.9-105.4 105.7 -16.1 22.2 44.7 13 13 A I E -b 31 0A 58 -2,-0.8 19,-0.2 17,-0.2 20,-0.1 -0.934 27.3-127.5-116.7 122.8 -15.0 25.3 42.8 14 14 A H > - 0 0 63 17,-2.7 3,-2.0 -2,-0.5 21,-0.1 -0.356 25.5-120.3 -63.8 139.7 -12.0 27.4 43.8 15 15 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.781 111.9 54.4 -51.7 -30.6 -12.9 31.1 44.2 16 16 A S T 3 S+ 0 0 38 2,-0.1 151,-0.1 20,-0.0 17,-0.1 0.597 85.4 106.8 -82.5 -11.9 -10.4 32.1 41.4 17 17 A A < - 0 0 13 -3,-2.0 2,-0.5 14,-0.2 19,-0.2 -0.331 64.4-137.6 -68.6 148.5 -11.9 29.8 38.8 18 18 A F E +m 36 0C 21 17,-2.2 19,-2.8 -2,-0.0 2,-0.5 -0.946 21.6 179.0-108.9 124.0 -14.0 31.2 36.0 19 19 A V E -m 37 0C 25 -2,-0.5 19,-0.2 17,-0.2 6,-0.1 -0.932 26.6-133.4-126.9 104.7 -17.2 29.3 35.1 20 20 A D > - 0 0 1 17,-2.8 3,-2.6 -2,-0.5 -18,-0.3 -0.297 16.8-125.9 -55.3 137.1 -19.2 30.9 32.3 21 21 A E T 3 S+ 0 0 104 1,-0.3 -1,-0.2 -20,-0.3 17,-0.1 0.695 111.5 58.1 -61.2 -15.8 -22.8 31.2 33.2 22 22 A N T 3 S+ 0 0 95 -21,-0.2 18,-1.1 2,-0.1 -1,-0.3 0.347 89.8 89.6 -94.9 4.4 -23.6 29.3 30.0 23 23 A A S < S- 0 0 0 -3,-2.6 -21,-3.0 16,-0.2 2,-0.5 -0.543 73.8-134.7 -91.5 166.5 -21.4 26.4 31.0 24 24 A V E +ac 2 42A 41 17,-2.7 19,-3.1 -23,-0.2 2,-0.5 -0.972 22.3 178.5-129.9 117.5 -23.1 23.5 32.9 25 25 A V E -ac 3 43A 0 -23,-2.3 -21,-3.0 -2,-0.5 2,-0.4 -0.978 10.3-177.0-120.8 119.5 -21.4 22.0 36.0 26 26 A I E -ac 4 44A 33 17,-2.7 19,-2.7 -2,-0.5 -21,-0.2 -0.962 39.1 -45.1-125.9 132.4 -23.2 19.2 37.8 27 27 A G E S+ c 0 45A 0 -23,-2.2 2,-2.0 -2,-0.4 19,-0.2 -0.309 112.3 29.1 67.0-130.2 -22.5 17.2 40.9 28 28 A D E S+ 0 0 28 17,-2.5 22,-2.1 -2,-0.1 2,-0.4 -0.499 81.9 134.7 -76.3 78.3 -19.1 15.7 41.7 29 29 A V E - 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