==== 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 27-NOV-03 1V67 . 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 . 27 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.8 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 64 0, 0.0 2,-1.0 0, 0.0 20,-0.3 0.000 360.0 360.0 360.0-157.5 -22.6 30.5 37.2 2 2 A A E +a 24 0A 25 18,-0.9 23,-1.8 21,-0.5 2,-0.4 -0.799 360.0 168.5 -98.4 89.4 -25.4 28.0 36.4 3 3 A I E +a 25 0A 76 -2,-1.0 2,-0.3 21,-0.2 23,-0.2 -0.881 16.4 178.3-117.3 137.6 -24.8 25.6 39.2 4 4 A Y E -a 26 0A 144 21,-2.5 23,-0.6 -2,-0.4 2,-0.4 -0.845 16.9-145.7-127.1 161.7 -26.8 22.7 40.6 5 5 A E - 0 0 109 -2,-0.3 2,-0.6 21,-0.2 5,-0.2 -0.975 13.4-147.0-126.1 141.4 -26.2 20.1 43.3 6 6 A I B > -L 9 0B 70 3,-1.7 3,-1.3 -2,-0.4 22,-0.1 -0.940 52.9 -57.0-120.0 120.2 -27.5 16.6 43.0 7 7 A N T 3 S- 0 0 149 -2,-0.6 20,-0.0 1,-0.3 -2,-0.0 -0.311 122.4 -11.5 54.0-125.1 -28.7 14.6 46.0 8 8 A G T 3 S+ 0 0 78 -3,-0.0 -1,-0.3 -2,-0.0 2,-0.2 0.862 119.5 88.3 -72.0 -35.1 -25.8 14.5 48.5 9 9 A K B < +L 6 0B 82 -3,-1.3 -3,-1.7 36,-0.1 18,-0.2 -0.461 50.7 175.8 -74.6 132.7 -23.1 15.8 46.1 10 10 A K - 0 0 147 -2,-0.2 -5,-0.1 -5,-0.2 19,-0.1 -0.988 36.7 -99.7-134.1 139.0 -22.6 19.6 45.7 11 11 A P - 0 0 21 0, 0.0 2,-0.7 0, 0.0 19,-0.2 -0.348 24.8-147.9 -62.8 138.2 -19.9 21.3 43.6 12 12 A R E +b 30 0A 154 17,-2.3 19,-2.5 -2,-0.1 2,-0.6 -0.896 24.0 178.7-107.7 102.8 -16.8 22.5 45.4 13 13 A I E -b 31 0A 50 -2,-0.7 19,-0.2 17,-0.2 17,-0.1 -0.917 27.4-129.4-114.9 114.4 -15.6 25.6 43.5 14 14 A H > - 0 0 79 17,-2.8 3,-2.2 -2,-0.6 21,-0.1 -0.270 28.7-117.0 -54.1 139.2 -12.6 27.7 44.6 15 15 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 17,-0.0 0.747 113.0 53.4 -50.3 -33.4 -13.5 31.4 44.9 16 16 A S T 3 S+ 0 0 31 2,-0.1 -2,-0.1 20,-0.0 16,-0.1 0.519 85.9 109.4 -83.0 -6.7 -11.1 32.5 42.2 17 17 A A < - 0 0 13 -3,-2.2 2,-0.5 14,-0.2 19,-0.2 -0.386 63.9-138.3 -69.9 148.9 -12.5 30.0 39.8 18 18 A F E +m 36 0C 22 17,-2.4 19,-2.5 -2,-0.1 2,-0.4 -0.935 22.0 177.5-111.7 131.5 -14.6 31.4 36.9 19 19 A V E -m 37 0C 17 -2,-0.5 19,-0.2 17,-0.2 -16,-0.1 -0.882 25.2-134.9-138.2 104.4 -17.8 29.7 35.8 20 20 A D > - 0 0 2 17,-2.4 3,-1.8 -2,-0.4 -18,-0.9 -0.239 17.1-127.8 -54.9 140.8 -19.8 31.3 33.0 21 21 A E T 3 S+ 0 0 111 -20,-0.3 -1,-0.1 1,-0.3 17,-0.1 0.650 111.4 57.5 -68.3 -11.5 -23.6 31.5 33.8 22 22 A N T 3 S+ 0 0 95 2,-0.1 -1,-0.3 -21,-0.0 2,-0.2 0.447 92.9 85.0 -94.8 -6.3 -24.2 29.8 30.5 23 23 A A S < S- 0 0 0 -3,-1.8 -21,-0.5 17,-0.2 2,-0.4 -0.486 75.7-135.3 -87.6 165.5 -22.0 26.8 31.5 24 24 A V E -ac 2 42A 40 17,-2.3 19,-3.2 -2,-0.2 2,-0.5 -0.977 20.3-178.8-131.7 122.6 -23.5 24.0 33.5 25 25 A V E -ac 3 43A 0 -23,-1.8 -21,-2.5 -2,-0.4 2,-0.4 -0.979 11.0-175.2-118.8 123.3 -22.0 22.3 36.6 26 26 A I E -ac 4 44A 38 17,-2.7 19,-2.5 -2,-0.5 -21,-0.2 -0.964 39.3 -43.1-126.3 136.3 -23.9 19.5 38.2 27 27 A G E S+ c 0 45A 0 -23,-0.6 2,-1.4 -2,-0.4 19,-0.2 -0.124 111.6 23.2 59.8-143.9 -23.2 17.5 41.4 28 28 A D E S+ 0 0 34 17,-1.5 22,-1.4 -22,-0.1 2,-0.4 -0.415 82.1 138.1 -63.5 88.2 -19.9 16.1 42.5 29 29 A V E - 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0 0 0 -3,-2.0 -17,-2.3 20,-0.2 2,-0.4 -0.451 38.8-146.9 -77.2 155.9 -19.6 23.9 28.7 42 42 A V E +cd 24 63A 44 20,-2.6 22,-2.8 -19,-0.2 2,-0.6 -0.977 20.4 179.4-133.9 121.6 -21.1 21.0 30.6 43 43 A L E -cd 25 64A 0 -19,-3.2 -17,-2.7 -2,-0.4 2,-1.1 -0.841 13.0-173.8-118.8 90.6 -19.6 19.3 33.7 44 44 A R E +c 26 0A 98 20,-1.7 2,-1.1 -2,-0.6 22,-0.3 -0.715 9.8 177.8 -92.0 97.0 -22.1 16.7 34.7 45 45 A G E +c 27 0A 0 -19,-2.5 -17,-1.5 -2,-1.1 -39,-0.2 -0.402 35.2 128.8 -95.5 58.5 -21.0 15.1 37.9 46 46 A D E S+ 0 0 54 -2,-1.1 -1,-0.2 -19,-0.2 3,-0.1 0.300 80.8 9.4 -97.9 -2.5 -24.0 12.8 38.3 47 47 A I E S+ 0 0 35 1,-0.7 2,-0.2 -3,-0.3 -2,-0.1 0.224 129.0 16.1-122.1 -75.2 -22.2 9.4 38.9 48 48 A E E S- 0 0 62 22,-0.2 -1,-0.7 1,-0.1 18,-0.1 -0.592 93.8 -88.4 -95.4 170.6 -18.3 9.5 39.4 49 49 A Q E - 0 0 60 -2,-0.2 23,-2.0 -3,-0.1 2,-0.5 -0.310 24.6-145.6 -76.1 156.8 -16.6 12.8 40.3 50 50 A I E -ce 29 72A 0 -22,-1.4 -20,-3.0 21,-0.2 2,-0.5 -0.984 21.4-172.4-120.3 111.5 -15.2 15.3 37.9 51 51 A Y E -ce 30 73A 61 21,-3.0 23,-3.1 -2,-0.5 2,-0.5 -0.931 6.3-168.7-110.3 130.1 -12.0 16.9 39.3 52 52 A V E -ce 31 74A 2 -22,-2.6 -20,-2.3 -2,-0.5 23,-0.2 -0.950 13.4-144.1-122.3 116.9 -10.3 19.9 37.6 53 53 A G > - 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