==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 27-FEB-02 1L3J . COMPND 2 MOLECULE: YVRK PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.ANAND,P.C.DORRESTEIN,C.KINSLAND,T.P.BEGLEY,S.E.EALICK . 372 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 64.0 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 . 126 33.9 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 29 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 3 0 3 0 2 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 . 3 6 5 2 1 2 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 1 0 0 1 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 8 A P 0 0 75 0, 0.0 21,-0.1 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 147.0 41.2 -12.5 -3.3 2 9 A Q - 0 0 73 2,-0.1 2,-2.5 9,-0.1 9,-0.2 -0.970 360.0-112.3-132.7 147.2 39.1 -14.7 -5.6 3 10 A P S S+ 0 0 35 0, 0.0 7,-1.5 0, 0.0 2,-0.4 -0.430 71.8 130.4 -76.7 69.3 35.5 -16.0 -5.3 4 11 A I E +A 9 0A 78 -2,-2.5 2,-0.4 5,-0.2 5,-0.2 -0.990 31.0 174.0-130.6 130.7 36.6 -19.6 -5.0 5 12 A R E > -A 8 0A 74 3,-2.4 3,-2.4 -2,-0.4 2,-0.2 -0.914 67.5 -56.8-135.3 104.6 35.6 -22.2 -2.4 6 13 A G T 3 S- 0 0 75 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.443 122.5 -16.3 62.4-122.9 37.0 -25.7 -3.0 7 14 A D T 3 S+ 0 0 154 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.253 122.7 91.1 -97.4 12.1 35.8 -26.7 -6.4 8 15 A K E < S+A 5 0A 102 -3,-2.4 -3,-2.4 2,-0.0 2,-0.1 -0.776 73.8 17.8-107.8 152.9 33.1 -23.9 -6.5 9 16 A G E -A 4 0A 64 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.359 66.0-130.3 88.5-170.5 33.4 -20.4 -7.9 10 17 A A - 0 0 62 -7,-1.5 2,-0.1 -2,-0.1 -2,-0.0 -0.964 29.7 -72.5-170.3 171.0 36.0 -18.9 -10.3 11 18 A T - 0 0 65 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.1 -0.434 52.8-105.4 -75.7 153.1 38.4 -16.0 -10.7 12 19 A V - 0 0 44 1,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.675 34.9-178.0 -80.5 129.5 37.0 -12.6 -11.5 13 20 A K + 0 0 186 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.596 56.6 69.0-104.2 -14.6 37.6 -11.7 -15.1 14 21 A I S S- 0 0 122 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.575 101.3 -72.0-102.7 166.6 36.1 -8.2 -15.3 15 22 A P - 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.316 66.7-179.9 -55.3 139.1 37.2 -4.9 -13.8 16 23 A R - 0 0 75 -4,-0.1 2,-0.9 -3,-0.1 3,-0.2 -0.841 40.3-107.1-140.4 173.8 36.6 -5.1 -10.1 17 24 A N > + 0 0 72 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 -0.773 35.1 175.2-105.4 85.1 36.8 -3.3 -6.7 18 25 A I H > S+ 0 0 40 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.855 75.4 59.2 -60.1 -37.1 39.6 -5.2 -5.1 19 26 A E H > S+ 0 0 115 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.914 109.8 41.8 -59.9 -45.0 39.6 -2.9 -2.0 20 27 A R H > S+ 0 0 116 -3,-0.2 4,-1.3 2,-0.2 3,-0.3 0.868 110.0 57.3 -71.9 -35.3 36.0 -3.7 -1.2 21 28 A D H < S+ 0 0 35 -4,-2.0 3,-0.3 1,-0.2 7,-0.3 0.890 105.4 52.7 -61.2 -37.4 36.4 -7.4 -1.9 22 29 A R H < S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 108.1 50.3 -67.5 -29.4 39.2 -7.4 0.7 23 30 A Q H < S+ 0 0 95 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.705 112.4 48.8 -80.7 -19.4 36.8 -5.9 3.2 24 31 A N >X + 0 0 32 -4,-1.3 4,-2.6 -3,-0.3 3,-1.8 -0.444 61.3 151.7-119.3 59.9 34.2 -8.5 2.5 25 32 A P H 3> S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.873 78.4 47.9 -54.1 -43.1 36.0 -11.9 2.7 26 33 A D H 34 S+ 0 0 24 2,-0.2 269,-0.2 1,-0.2 -2,-0.1 0.386 113.5 47.5 -83.1 2.7 32.9 -13.7 3.8 27 34 A M H <4 S+ 0 0 64 -3,-1.8 -1,-0.2 -6,-0.2 -6,-0.1 0.718 113.3 45.0-107.5 -38.9 30.7 -12.1 1.0 28 35 A L H < S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.3 -6,-0.1 0.885 135.4 20.6 -69.0 -38.5 33.2 -12.7 -1.9 29 36 A V S < S- 0 0 44 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.752 90.5-169.2-132.1 83.6 33.6 -16.3 -0.5 30 37 A P - 0 0 36 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.201 34.3 -84.3 -70.0 163.9 30.6 -17.1 1.7 31 38 A P > - 0 0 29 0, 0.0 3,-1.7 0, 0.0 264,-0.1 -0.328 36.6-117.7 -65.2 152.2 30.3 -20.1 4.0 32 39 A E T 3 S+ 0 0 102 1,-0.3 -27,-0.0 -3,-0.1 0, 0.0 0.771 114.1 64.1 -62.4 -23.6 29.1 -23.3 2.3 33 40 A T T 3 S+ 0 0 116 2,-0.0 -1,-0.3 261,-0.0 2,-0.1 0.505 76.3 106.1 -79.8 -7.2 26.1 -23.1 4.7 34 41 A D < + 0 0 31 -3,-1.7 2,-0.3 258,-0.1 260,-0.2 -0.478 47.0 161.3 -71.7 146.2 24.8 -19.8 3.2 35 42 A H B +B 293 0B 125 258,-2.5 258,-2.5 -2,-0.1 -2,-0.0 -0.946 24.4 15.2-169.0 144.5 21.6 -20.2 1.1 36 43 A G S S- 0 0 28 -2,-0.3 2,-0.4 256,-0.2 -1,-0.1 0.109 87.4 -44.9 82.2 167.0 18.7 -18.4 -0.4 37 44 A T + 0 0 123 255,-0.0 2,-0.4 257,-0.0 257,-0.1 -0.587 58.7 170.2 -75.1 126.4 17.6 -14.8 -1.0 38 45 A V - 0 0 12 -2,-0.4 3,-0.1 255,-0.1 -2,-0.0 -0.998 34.1-112.1-137.8 134.9 18.2 -12.6 2.0 39 46 A S - 0 0 69 -2,-0.4 2,-0.2 1,-0.1 255,-0.0 -0.176 45.4 -85.7 -63.1 159.4 17.9 -8.8 2.0 40 47 A N - 0 0 73 1,-0.1 28,-0.4 2,-0.0 -1,-0.1 -0.488 41.8-178.1 -68.0 134.9 21.0 -6.6 2.4 41 48 A M + 0 0 4 -2,-0.2 264,-1.0 -3,-0.1 2,-0.3 0.038 54.9 72.7-122.5 23.8 21.8 -6.1 6.1 42 49 A K E +I 304 0C 29 262,-0.2 2,-0.3 2,-0.0 262,-0.2 -0.995 43.0 160.9-146.4 138.5 24.9 -3.9 5.8 43 50 A F E -I 303 0C 47 260,-1.9 260,-3.4 -2,-0.3 2,-0.4 -0.964 25.4-136.7-156.0 137.6 25.7 -0.3 4.8 44 51 A S > - 0 0 19 -2,-0.3 3,-2.1 258,-0.3 256,-0.1 -0.787 11.6-142.7-100.7 136.2 28.7 2.0 5.4 45 52 A F G > S+ 0 0 2 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.817 103.7 68.3 -60.5 -28.1 28.5 5.7 6.5 46 53 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 13,-0.0 4,-0.1 0.659 92.8 59.9 -65.8 -13.5 31.5 6.1 4.2 47 54 A D G < S+ 0 0 73 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.121 95.1 86.6 -99.8 20.5 29.1 5.4 1.3 48 55 A T S < S- 0 0 28 -3,-1.8 2,-0.2 13,-0.0 13,-0.1 -0.848 86.6 -97.2-121.4 158.1 26.9 8.4 2.2 49 56 A H - 0 0 158 -2,-0.3 2,-0.7 11,-0.2 11,-0.4 -0.514 36.4-140.2 -70.3 130.5 26.8 12.1 1.4 50 57 A N - 0 0 48 -2,-0.2 2,-0.8 9,-0.1 9,-0.2 -0.855 5.3-145.2-101.1 114.4 28.5 14.2 4.1 51 58 A R E -O 58 0D 88 7,-2.5 7,-1.6 -2,-0.7 2,-0.4 -0.671 20.2-158.8 -78.1 111.7 26.7 17.5 4.9 52 59 A L E +O 57 0D 126 -2,-0.8 2,-0.3 5,-0.2 5,-0.2 -0.799 16.8 168.8 -98.5 132.7 29.5 19.9 5.8 53 60 A E E > -O 56 0D 68 3,-2.8 3,-1.8 -2,-0.4 2,-1.1 -0.853 49.4 -85.6-133.7 167.8 28.8 23.1 7.8 54 61 A K T 3 S+ 0 0 175 140,-0.4 142,-0.3 -2,-0.3 3,-0.1 -0.673 123.4 26.9 -75.6 103.1 30.7 25.8 9.6 55 62 A G T 3 S- 0 0 0 -2,-1.1 25,-3.0 140,-0.2 2,-0.3 0.315 129.4 -42.7 125.4 -6.4 31.2 23.9 12.9 56 63 A G E < -OP 53 79D 11 -3,-1.8 -3,-2.8 23,-0.2 2,-0.3 -1.000 59.1 -93.3 155.2-155.2 31.0 20.3 11.8 57 64 A Y E -OP 52 78D 51 21,-1.9 21,-2.7 -2,-0.3 2,-0.3 -0.967 15.1-156.9-156.5 169.6 29.3 17.7 9.7 58 65 A A E +OP 51 77D 7 -7,-1.6 -7,-2.5 -2,-0.3 2,-0.3 -0.953 8.0 178.7-157.3 134.4 26.5 15.1 9.5 59 66 A R E - 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