==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 06-NOV-08 2KAK . COMPND 2 MOLECULE: EC PROTEIN I/II; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR E.A.PEROZA,R.SCHMUCKI,P.GUNTERT,E.FREISINGER,O.ZERBE . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 34.0 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 . 2 3.8 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 1.9 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 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 5.7 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 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 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 31 A G 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.1 19.0 -0.0 -5.3 2 32 A E - 0 0 170 1,-0.1 2,-0.3 3,-0.0 0, 0.0 0.374 360.0-133.1 -69.0-164.6 15.3 -0.4 -4.8 3 33 A H - 0 0 74 14,-0.0 2,-0.6 15,-0.0 -1,-0.1 -0.884 42.0 -67.8-146.4 174.8 13.3 -0.6 -1.4 4 34 A T S S+ 0 0 70 -2,-0.3 2,-0.3 11,-0.1 8,-0.2 -0.694 71.3 165.2 -74.7 119.2 10.6 -2.9 0.0 5 35 A T - 0 0 26 -2,-0.6 6,-0.3 6,-0.2 2,-0.1 -0.953 46.0 -87.4-135.0 152.8 7.7 -1.9 -2.2 6 36 A C B >> -A 10 0A 0 4,-2.4 3,-2.8 -2,-0.3 4,-2.1 -0.483 45.3-114.4 -60.0 137.7 4.3 -3.3 -3.0 7 37 A G T 34 S+ 0 0 78 1,-0.3 -1,-0.1 2,-0.2 4,-0.1 0.631 114.5 75.4 -49.5 -23.7 4.6 -5.8 -5.8 8 38 A C T 34 S- 0 0 51 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.612 125.7-101.2 -64.0 -9.6 2.5 -3.5 -8.0 9 39 A G T <4 S+ 0 0 62 -3,-2.8 2,-0.3 1,-0.2 -2,-0.2 0.832 87.4 107.9 89.2 51.9 5.9 -1.6 -8.0 10 40 A E B < S-A 6 0A 59 -4,-2.1 -4,-2.4 2,-0.0 -1,-0.2 -0.947 75.3-104.5-159.7 134.8 5.0 1.1 -5.5 11 41 A H + 0 0 53 -2,-0.3 2,-0.3 -6,-0.3 11,-0.2 -0.255 52.1 161.0 -55.0 127.3 5.9 2.0 -1.9 12 42 A C > - 0 0 2 3,-0.4 3,-1.8 9,-0.3 23,-0.2 -0.970 54.3-109.6-148.7 157.0 2.9 1.1 0.3 13 43 A G T 3 S+ 0 0 27 21,-1.7 22,-0.1 1,-0.3 9,-0.1 0.717 114.2 71.7 -62.4 -21.0 2.4 0.4 4.1 14 44 A C T 3 S+ 0 0 41 1,-0.2 -1,-0.3 20,-0.2 31,-0.1 0.288 97.8 53.3 -74.9 3.3 2.0 -3.2 3.2 15 45 A N S < S- 0 0 35 -3,-1.8 -3,-0.4 -11,-0.2 -1,-0.2 -0.721 81.5-158.3-140.1 82.0 5.7 -3.3 2.5 16 46 A P + 0 0 104 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.416 20.5 169.6 -65.9 140.4 7.7 -1.9 5.5 17 47 A C > - 0 0 23 -2,-0.1 3,-2.1 -14,-0.1 -14,-0.0 -0.929 54.3 -84.8-141.2 173.7 11.1 -0.6 4.6 18 48 A A T 3 S+ 0 0 106 1,-0.3 -15,-0.0 -2,-0.3 0, 0.0 0.532 135.0 40.5 -61.3 -10.3 14.0 1.4 6.2 19 49 A C T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -16,-0.0 0.422 92.6-152.6-112.6 -11.6 12.0 4.6 5.1 20 50 A G < + 0 0 41 -3,-2.1 -2,-0.1 1,-0.2 2,-0.1 0.457 37.4 156.6 48.0 14.0 8.5 3.1 5.9 21 51 A R + 0 0 166 1,-0.1 -9,-0.3 -9,-0.0 -1,-0.2 -0.373 23.2 168.6 -69.2 145.4 6.9 5.3 3.2 22 52 A E - 0 0 55 -11,-0.2 14,-0.8 1,-0.2 15,-0.2 0.449 45.2-117.9-132.9 -9.0 3.6 4.4 1.7 23 53 A G - 0 0 24 -11,-0.1 13,-0.2 13,-0.1 -1,-0.2 -0.061 61.0 -29.6 84.7 174.3 2.7 7.6 -0.3 24 54 A T - 0 0 118 12,-0.1 2,-1.2 1,-0.1 10,-0.1 -0.407 67.4-138.9 -59.5 108.6 -0.4 9.9 0.3 25 55 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 11,-0.2 -0.611 10.5-141.9 -78.9 97.9 -3.0 7.4 1.6 26 56 A S - 0 0 64 -2,-1.2 2,-2.3 9,-0.2 3,-0.3 -0.412 7.1-154.5 -62.3 101.9 -6.3 8.4 -0.1 27 57 A G + 0 0 67 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 -0.461 63.8 108.7 -78.9 65.9 -8.9 7.9 2.7 28 58 A R S S+ 0 0 232 -2,-2.3 2,-0.3 1,-0.1 -1,-0.2 0.164 75.6 31.8-126.0 7.5 -11.7 7.4 0.1 29 59 A A S S- 0 0 48 -3,-0.3 2,-2.7 2,-0.1 4,-0.2 -0.959 101.0 -76.1-157.9 167.8 -12.3 3.6 0.6 30 60 A N S S+ 0 0 141 -2,-0.3 2,-0.2 19,-0.2 -3,-0.1 -0.278 81.8 129.5 -68.3 53.4 -12.1 0.9 3.3 31 61 A R S S- 0 0 104 -2,-2.7 2,-0.3 -5,-0.1 18,-0.1 -0.669 77.8 -90.7-104.7 171.8 -8.3 0.7 3.3 32 62 A R - 0 0 200 -2,-0.2 -2,-0.1 1,-0.2 -5,-0.1 0.215 55.2-112.2 -66.2 8.6 -5.7 0.8 6.2 33 63 A A S S+ 0 0 66 -2,-0.3 -1,-0.2 -4,-0.2 -6,-0.1 0.610 113.2 76.8 63.3 14.3 -5.4 4.6 5.9 34 64 A N + 0 0 45 -8,-0.1 -21,-1.7 -10,-0.1 2,-0.8 0.117 64.7 99.6-131.9 4.8 -1.8 3.7 4.7 35 65 A C + 0 0 12 -23,-0.2 -9,-0.2 1,-0.2 -2,-0.1 -0.690 33.0 164.6-105.7 90.5 -2.6 2.4 1.2 36 66 A S + 0 0 35 -2,-0.8 -1,-0.2 -14,-0.8 -10,-0.1 0.710 44.5 116.1 -68.6 -23.8 -1.8 5.3 -1.3 37 67 A C + 0 0 5 -15,-0.2 -11,-0.1 -3,-0.2 3,-0.1 0.085 25.7 152.4 -43.7 161.0 -1.9 2.6 -4.2 38 68 A G + 0 0 61 1,-0.3 3,-0.5 0, 0.0 -1,-0.1 0.287 46.6 73.4-155.4 -68.2 -4.6 2.9 -6.9 39 69 A A S S- 0 0 81 1,-0.2 -1,-0.3 -31,-0.0 -31,-0.1 0.047 107.1 -22.9 -60.3 163.3 -3.5 1.3 -10.1 40 70 A A S S+ 0 0 87 1,-0.1 2,-0.9 -3,-0.1 -1,-0.2 0.346 72.5 169.8 -6.3 69.7 -3.1 -2.4 -10.9 41 71 A C + 0 0 30 -3,-0.5 -1,-0.1 1,-0.2 5,-0.1 -0.564 16.7 161.4-103.9 85.0 -2.7 -3.8 -7.4 42 72 A N + 0 0 161 -2,-0.9 2,-0.4 4,-0.1 -1,-0.2 0.529 36.1 126.5 -77.0 -2.7 -2.9 -7.6 -7.3 43 73 A C >> - 0 0 27 1,-0.2 3,-2.6 -3,-0.1 4,-1.7 -0.453 58.4-145.0 -58.0 119.5 -1.2 -7.6 -3.8 44 74 A A H 3> S+ 0 0 84 -2,-0.4 4,-1.8 1,-0.3 3,-0.2 0.862 98.7 61.8 -52.2 -42.1 -3.5 -9.6 -1.5 45 75 A S H 34 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.527 112.2 38.3 -62.1 -16.3 -2.6 -7.3 1.4 46 76 A C H <4 S+ 0 0 20 -3,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.651 104.9 63.8-105.1 -30.5 -4.1 -4.4 -0.6 47 77 A G H < S+ 0 0 57 -4,-1.7 2,-0.3 -3,-0.2 -2,-0.2 0.860 80.3 101.7 -59.8 -33.3 -7.1 -6.2 -2.1 48 78 A S < + 0 0 58 -4,-1.8 3,-0.1 -5,-0.2 -5,-0.0 -0.355 32.3 124.3 -56.2 105.5 -8.3 -6.6 1.6 49 79 A A + 0 0 41 -2,-0.3 2,-0.4 -18,-0.1 -19,-0.2 -0.103 46.4 97.9-156.7 29.2 -10.9 -3.9 1.9 50 80 A T S S- 0 0 115 3,-0.4 3,-0.3 1,-0.1 -3,-0.0 -0.995 81.1 -4.9-129.5 133.7 -13.8 -6.1 3.1 51 81 A A S S- 0 0 85 -2,-0.4 2,-2.1 1,-0.2 -1,-0.1 0.218 105.0 -55.8 65.5 169.0 -14.9 -6.5 6.8 52 82 A P 0 0 146 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.366 360.0 360.0 -78.2 64.8 -13.0 -4.9 9.8 53 83 A G 0 0 91 -2,-2.1 -3,-0.4 -3,-0.3 -21,-0.0 -0.923 360.0 360.0-171.3 360.0 -9.6 -6.5 8.9