==== 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 25-FEB-02 1J58 . 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) . 19093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 64.2 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 80 0, 0.0 21,-0.1 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 151.6 41.3 -12.6 -3.4 2 9 A Q - 0 0 74 2,-0.2 2,-2.6 9,-0.1 9,-0.1 -0.978 360.0-112.9-132.7 145.3 39.1 -14.7 -5.7 3 10 A P S S+ 0 0 34 0, 0.0 7,-1.5 0, 0.0 2,-0.4 -0.412 72.5 127.6 -76.1 70.8 35.5 -16.0 -5.3 4 11 A I E +A 9 0A 77 -2,-2.6 2,-0.4 5,-0.3 5,-0.2 -0.995 32.2 175.6-131.7 133.2 36.6 -19.6 -5.2 5 12 A R E > -A 8 0A 75 3,-2.4 3,-2.2 -2,-0.4 2,-0.2 -0.905 67.2 -54.5-137.9 104.5 35.7 -22.2 -2.5 6 13 A G T 3 S- 0 0 74 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.461 122.7 -17.3 64.0-125.2 37.0 -25.7 -3.2 7 14 A D T 3 S+ 0 0 158 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.219 122.7 92.0 -96.9 14.1 35.8 -26.7 -6.7 8 15 A K E < S+A 5 0A 102 -3,-2.2 -3,-2.4 2,-0.0 2,-0.1 -0.793 73.9 17.0-108.2 152.2 33.1 -23.9 -6.7 9 16 A G E -A 4 0A 64 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.317 65.9-130.1 87.5-173.1 33.5 -20.4 -8.0 10 17 A A - 0 0 59 -7,-1.5 2,-0.1 -2,-0.1 -2,-0.0 -0.968 30.2 -72.2-168.5 170.2 36.0 -18.9 -10.4 11 18 A T - 0 0 65 -2,-0.3 2,-0.5 -9,-0.1 -9,-0.1 -0.399 52.9-106.3 -73.1 153.7 38.4 -16.0 -10.8 12 19 A V - 0 0 44 1,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.712 34.8-177.7 -82.0 128.6 36.9 -12.6 -11.6 13 20 A K + 0 0 186 -2,-0.5 -1,-0.1 2,-0.1 3,-0.1 0.584 56.9 69.7-103.1 -14.1 37.5 -11.7 -15.2 14 21 A I S S- 0 0 125 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.563 101.1 -72.9-102.6 166.8 36.0 -8.2 -15.4 15 22 A P - 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.337 66.0-179.8 -56.5 138.4 37.2 -4.9 -13.8 16 23 A R - 0 0 78 -4,-0.1 2,-0.9 -3,-0.1 3,-0.1 -0.835 39.5-107.1-139.4 174.2 36.5 -5.1 -10.1 17 24 A N > + 0 0 71 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.802 34.3 175.7-105.8 88.2 36.7 -3.3 -6.7 18 25 A I H > S+ 0 0 38 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.859 75.3 58.3 -63.4 -36.7 39.6 -5.2 -5.0 19 26 A E H > S+ 0 0 113 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.916 110.4 42.3 -61.0 -44.1 39.5 -2.9 -1.9 20 27 A R H > S+ 0 0 117 2,-0.2 4,-1.3 1,-0.2 3,-0.2 0.877 110.6 56.5 -71.3 -35.9 35.9 -3.7 -1.1 21 28 A D H < S+ 0 0 34 -4,-2.0 3,-0.4 1,-0.2 7,-0.3 0.902 105.7 52.1 -60.9 -39.0 36.4 -7.4 -1.9 22 29 A R H < S+ 0 0 156 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.811 109.0 50.3 -66.6 -29.4 39.2 -7.4 0.7 23 30 A Q H < S+ 0 0 93 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.706 113.0 47.8 -80.5 -19.4 36.8 -5.9 3.2 24 31 A N >X + 0 0 30 -4,-1.3 4,-2.5 -3,-0.4 3,-1.8 -0.436 62.1 150.9-119.7 59.0 34.1 -8.5 2.5 25 32 A P H 3> S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.866 77.2 49.7 -55.4 -40.5 35.9 -11.9 2.6 26 33 A D H 34 S+ 0 0 23 2,-0.2 269,-0.2 1,-0.2 -2,-0.1 0.360 112.9 47.5 -83.8 5.0 32.8 -13.7 3.7 27 34 A X H <4 S+ 0 0 63 -3,-1.8 -1,-0.2 -6,-0.2 -6,-0.1 0.710 112.4 45.3-109.9 -40.6 30.8 -12.2 0.9 28 35 A L H < S+ 0 0 32 -4,-2.5 -2,-0.2 1,-0.3 -6,-0.1 0.878 135.7 20.4 -68.3 -37.4 33.2 -12.8 -2.0 29 36 A V S < S- 0 0 44 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.732 91.0-169.1-132.4 82.3 33.6 -16.3 -0.6 30 37 A P - 0 0 35 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.135 34.8 -84.3 -67.5 165.6 30.6 -17.1 1.6 31 38 A P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 264,-0.1 -0.379 36.6-118.2 -67.5 153.6 30.3 -20.1 3.9 32 39 A E T 3 S+ 0 0 103 1,-0.3 -27,-0.0 -3,-0.1 0, 0.0 0.751 113.8 64.4 -64.0 -22.1 29.1 -23.3 2.2 33 40 A T T 3 S+ 0 0 118 2,-0.0 -1,-0.3 261,-0.0 2,-0.2 0.525 76.5 105.4 -80.2 -8.4 26.1 -23.1 4.6 34 41 A D < + 0 0 29 -3,-1.6 2,-0.3 258,-0.1 260,-0.2 -0.500 47.1 160.0 -71.7 144.2 24.8 -19.8 3.2 35 42 A H B +B 293 0B 131 258,-2.3 258,-2.7 -2,-0.2 -2,-0.0 -0.965 25.2 17.4-166.7 146.5 21.7 -20.3 1.0 36 43 A G S S- 0 0 27 -2,-0.3 2,-0.3 256,-0.2 -1,-0.1 0.163 87.3 -46.4 80.4 164.7 18.7 -18.4 -0.4 37 44 A T + 0 0 121 255,-0.1 2,-0.4 257,-0.0 257,-0.1 -0.569 58.0 170.2 -74.4 127.4 17.6 -14.9 -1.0 38 45 A V - 0 0 12 -2,-0.3 3,-0.1 255,-0.1 -2,-0.0 -0.996 34.3-111.1-138.1 136.0 18.2 -12.6 2.0 39 46 A S - 0 0 70 -2,-0.4 2,-0.2 1,-0.1 255,-0.0 -0.178 45.7 -85.3 -63.3 160.0 17.9 -8.8 2.0 40 47 A N - 0 0 72 1,-0.1 28,-0.4 2,-0.0 -1,-0.1 -0.507 42.3-178.8 -68.3 134.4 21.0 -6.6 2.4 41 48 A X + 0 0 4 -2,-0.2 264,-0.9 -3,-0.1 2,-0.3 0.032 54.7 72.1-122.4 24.6 21.9 -6.1 6.1 42 49 A K E +I 304 0C 30 262,-0.2 2,-0.3 2,-0.0 262,-0.2 -0.998 43.2 160.4-147.2 138.1 24.9 -3.9 5.7 43 50 A F E -I 303 0C 48 260,-1.8 260,-3.2 -2,-0.3 2,-0.4 -0.941 25.9-136.1-157.5 135.4 25.7 -0.3 4.8 44 51 A S > - 0 0 21 -2,-0.3 3,-1.8 258,-0.2 257,-0.1 -0.744 11.4-142.6 -98.2 138.8 28.6 2.0 5.4 45 52 A F G > S+ 0 0 2 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.796 103.8 67.9 -63.2 -26.8 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 0.672 92.6 60.4 -66.6 -15.3 31.5 6.2 4.2 47 54 A D G < S+ 0 0 72 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.102 94.6 86.9 -98.0 21.5 29.1 5.5 1.3 48 55 A T S < S- 0 0 26 -3,-1.7 2,-0.2 13,-0.0 13,-0.1 -0.874 86.5 -99.2-122.8 155.2 26.9 8.5 2.2 49 56 A H - 0 0 157 -2,-0.3 2,-0.6 11,-0.1 11,-0.4 -0.510 36.7-140.6 -68.7 131.1 26.9 12.2 1.4 50 57 A N - 0 0 46 -2,-0.2 2,-0.8 9,-0.1 9,-0.2 -0.869 5.2-143.9-101.9 117.1 28.4 14.2 4.2 51 58 A R E -O 58 0D 86 7,-2.6 7,-1.6 -2,-0.6 2,-0.4 -0.700 19.9-158.4 -80.8 112.7 26.7 17.5 5.0 52 59 A L E +O 57 0D 123 -2,-0.8 2,-0.3 5,-0.2 5,-0.2 -0.783 17.2 168.2 -97.4 134.0 29.5 20.0 5.9 53 60 A E E > -O 56 0D 68 3,-2.7 3,-1.8 -2,-0.4 2,-1.1 -0.877 49.7 -84.8-135.7 166.9 28.7 23.1 7.9 54 61 A K T 3 S+ 0 0 175 140,-0.4 142,-0.3 -2,-0.3 3,-0.1 -0.661 123.2 26.4 -74.7 105.3 30.7 25.8 9.7 55 62 A G T 3 S- 0 0 1 -2,-1.1 25,-3.1 140,-0.2 2,-0.3 0.291 129.3 -41.3 123.9 -8.5 31.2 23.9 13.0 56 63 A G E < -OP 53 79D 12 -3,-1.8 -3,-2.7 23,-0.2 2,-0.3 -1.000 59.5 -91.8 157.5-156.0 31.0 20.3 11.9 57 64 A Y E -OP 52 78D 53 21,-1.7 21,-2.7 -2,-0.3 2,-0.3 -0.968 14.8-157.4-154.4 169.3 29.2 17.7 9.8 58 65 A A E +OP 51 77D 7 -7,-1.6 -7,-2.6 -2,-0.3 2,-0.3 -0.948 9.0 176.7-156.3 131.7 26.4 15.1 9.6 59 66 A R E - 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