==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELLULASE 18-NOV-97 1AZK . COMPND 2 MOLECULE: CELLOBIOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR M.-L.MATTINEN . 36 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 8 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 5.6 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 132 0, 0.0 2,-2.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 128.5 243.4 23.7 -1.1 2 2 A Q + 0 0 95 16,-2.9 18,-0.2 1,-0.2 33,-0.1 -0.407 360.0 157.2 -74.9 61.1 239.7 24.0 -2.2 3 3 A S + 0 0 47 -2,-2.1 2,-0.3 16,-0.2 3,-0.3 0.910 53.9 33.4 -59.7 -55.6 239.2 27.0 0.2 4 4 A H S S+ 0 0 86 -3,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.881 121.3 15.2-115.2 140.8 236.2 28.9 -1.3 5 5 A Y S S+ 0 0 160 30,-2.5 2,-0.6 -2,-0.3 -1,-0.2 0.862 85.8 159.8 62.9 41.9 233.1 27.4 -3.2 6 6 A G E -A 35 0A 3 29,-0.8 29,-3.0 -3,-0.3 -1,-0.2 -0.839 40.5-126.7-102.1 109.9 234.1 23.9 -1.9 7 7 A Q E +A 34 0A 62 -2,-0.6 27,-0.2 27,-0.2 25,-0.1 -0.279 33.9 165.7 -52.4 124.4 231.3 21.1 -1.8 8 8 A a + 0 0 32 25,-2.3 26,-0.2 1,-0.2 -1,-0.1 0.359 64.7 6.6-118.5 -0.4 230.9 19.5 1.7 9 9 A G S S+ 0 0 32 24,-0.4 24,-1.8 22,-0.3 2,-0.3 -0.486 85.1 55.6 171.6 114.6 227.5 17.6 1.2 10 10 A G S > S+ 0 0 36 22,-0.2 3,-2.2 -2,-0.1 21,-0.3 -0.972 75.7 11.8 156.6-160.3 224.8 16.7 -1.4 11 11 A I T 3 S+ 0 0 107 19,-1.3 3,-0.1 -2,-0.3 -2,-0.1 -0.088 126.0 0.8 -45.6 124.0 224.0 15.0 -4.8 12 12 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.0 2,-0.1 0.226 108.5 114.4 83.7 -13.1 227.0 13.0 -6.2 13 13 A Y < + 0 0 55 -3,-2.2 -1,-0.2 18,-0.1 -5,-0.0 -0.320 32.7 167.8 -89.7 167.4 229.3 13.7 -3.2 14 14 A S - 0 0 109 -3,-0.1 -1,-0.1 -2,-0.1 -4,-0.1 0.164 65.4 -62.6-131.5 -92.4 231.0 11.7 -0.3 15 15 A G S S+ 0 0 49 -6,-0.1 2,-1.8 -2,-0.0 -2,-0.0 0.145 71.7 135.7-158.2 38.6 233.7 13.5 1.7 16 16 A P + 0 0 78 0, 0.0 2,-2.3 0, 0.0 -9,-0.1 -0.208 30.1 163.6 -76.1 50.6 236.9 14.5 -0.3 17 17 A T + 0 0 69 -2,-1.8 2,-2.2 1,-0.1 -9,-0.1 -0.320 10.0 167.5 -77.7 66.6 236.7 17.9 1.5 18 18 A V + 0 0 106 -2,-2.3 -16,-2.9 -17,-0.0 -1,-0.1 -0.236 37.0 129.9 -76.5 51.9 240.3 19.2 0.8 19 19 A b - 0 0 34 -2,-2.2 2,-0.3 -18,-0.2 -16,-0.2 -0.361 53.1-123.1 -98.6 169.4 239.2 22.7 2.0 20 20 A A - 0 0 37 -18,-0.2 3,-0.2 -17,-0.2 2,-0.0 -0.838 22.3-112.8-107.4 159.4 240.6 25.3 4.5 21 21 A S S S+ 0 0 123 -2,-0.3 2,-1.0 1,-0.1 3,-0.2 -0.166 94.2 66.8 -72.9-177.1 239.1 26.9 7.7 22 22 A G S S+ 0 0 78 1,-0.4 -1,-0.1 -2,-0.0 2,-0.1 -0.485 106.0 60.0 84.7 -57.0 238.3 30.7 7.7 23 23 A T S S- 0 0 34 -2,-1.0 -1,-0.4 -3,-0.2 12,-0.1 -0.280 86.1-152.2 -76.8 177.8 235.7 29.7 5.1 24 24 A T - 0 0 60 12,-2.7 11,-0.2 -3,-0.2 -1,-0.1 0.249 20.3-101.8-129.1-128.7 233.1 27.2 6.3 25 25 A a + 0 0 64 9,-0.4 10,-0.3 10,-0.1 2,-0.2 -0.132 57.8 145.7 179.8 62.5 230.6 24.3 5.1 26 26 A Q E -B 34 0A 97 8,-2.6 8,-2.7 7,-0.1 -18,-0.1 -0.758 44.8 -71.2-128.8 157.8 227.0 25.8 4.8 27 27 A V E +B 33 0A 125 6,-0.3 6,-0.3 -2,-0.2 2,-0.1 -0.129 57.0 120.7 -58.4 132.8 223.7 25.5 2.7 28 28 A L + 0 0 90 4,-1.8 -1,-0.1 1,-0.5 5,-0.1 -0.269 67.8 9.7-138.1-113.1 222.9 26.6 -0.9 29 29 A N S > S- 0 0 75 1,-0.1 3,-2.9 -2,-0.1 -1,-0.5 -0.285 85.6 -93.9 -64.3 157.4 221.8 24.3 -3.9 30 30 A P T 3 S+ 0 0 108 0, 0.0 -19,-1.3 0, 0.0 3,-0.1 0.595 124.0 59.6 -47.8 -17.4 220.7 20.6 -3.4 31 31 A Y T 3 S+ 0 0 123 -21,-0.3 -22,-0.3 1,-0.2 2,-0.3 0.657 106.1 48.1 -74.2 -25.5 224.4 19.6 -4.3 32 32 A A < + 0 0 5 -3,-2.9 -4,-1.8 -24,-0.1 2,-0.6 -0.825 26.3 172.6-154.0 105.3 226.1 21.5 -1.5 33 33 A S E - B 0 27A 40 -24,-1.8 -25,-2.3 -2,-0.3 -24,-0.4 -0.929 65.5-178.8 -71.8 117.3 226.4 22.4 2.1 34 34 A Q E -AB 7 26A 25 -8,-2.7 -8,-2.6 -2,-0.6 2,-2.0 -0.929 40.2 -87.0-139.0 151.3 229.7 24.2 1.0 35 35 A b E A 6 0A 0 -29,-3.0 -30,-2.5 -10,-0.3 -29,-0.8 -0.420 360.0 360.0 -58.0 76.3 232.8 26.2 1.9 36 36 A L 0 0 74 -2,-2.0 -12,-2.7 -32,-0.2 -10,-0.0 -0.676 360.0 360.0 -78.5 360.0 231.5 29.8 1.7