==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 27-FEB-03 1ON4 . COMPND 2 MOLECULE: SCO1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR E.BALATRI,L.BANCI,I.BERTINI,F.CANTINI,S.CIOFI-BAFFONI, . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 10.9 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 1.1 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 16 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 23.0 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 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 H 0 0 183 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 152.0 -24.8 -10.6 14.0 2 2 A M + 0 0 176 2,-2.2 2,-2.0 1,-0.1 3,-0.1 0.119 360.0 21.5-138.1-102.6 -24.7 -8.0 11.2 3 3 A L S > S- 0 0 82 -2,-0.0 3,-1.2 1,-0.0 -1,-0.1 -0.642 128.1 -83.4 -69.7 82.5 -22.1 -8.5 8.4 4 4 A E T 3 S- 0 0 151 -2,-2.0 -2,-2.2 1,-0.3 2,-0.5 -0.132 93.8 -29.2 45.6-129.4 -22.2 -12.1 9.5 5 5 A I T 3 S- 0 0 101 1,-0.4 -1,-0.3 -4,-0.2 -2,-0.0 -0.671 118.8 -62.5-105.9 68.5 -19.8 -12.4 12.4 6 6 A K < - 0 0 156 -3,-1.2 -1,-0.4 -2,-0.5 -4,-0.0 -0.097 69.0 -66.1 77.6-175.9 -17.6 -9.6 11.2 7 7 A D - 0 0 53 -3,-0.1 2,-0.3 142,-0.0 -1,-0.1 -0.717 48.5-178.9-117.7 71.1 -15.5 -9.1 8.1 8 8 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 142,-0.1 -0.609 13.0-160.9 -73.4 133.0 -12.5 -11.6 8.0 9 9 A L - 0 0 0 140,-0.9 156,-0.1 -2,-0.3 138,-0.1 -0.689 23.9-180.0-110.1 164.9 -10.4 -11.1 4.8 10 10 A N + 0 0 44 -2,-0.2 2,-1.1 154,-0.2 139,-0.2 -0.340 16.8 166.9-157.3 58.0 -7.8 -13.5 3.1 11 11 A Y E -A 148 0A 32 137,-1.2 137,-1.6 2,-0.0 2,-0.5 -0.704 26.4-148.6 -90.3 99.4 -6.6 -11.4 0.2 12 12 A E E -A 147 0A 82 -2,-1.1 2,-0.9 135,-0.3 135,-0.3 -0.554 3.0-152.5 -73.7 115.7 -3.5 -13.3 -1.1 13 13 A V - 0 0 3 133,-2.6 3,-0.1 -2,-0.5 106,-0.1 -0.829 26.2-121.1 -90.8 100.4 -1.0 -10.9 -2.6 14 14 A E - 0 0 73 -2,-0.9 105,-0.1 101,-0.2 14,-0.1 -0.177 32.6-109.6 -41.2 117.8 0.9 -12.9 -5.2 15 15 A P + 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.129 53.2 146.0 -51.8 149.0 4.7 -12.9 -4.3 16 16 A F - 0 0 94 -3,-0.1 12,-1.5 2,-0.0 2,-0.4 -0.909 46.1-101.1-169.9 175.6 7.1 -11.0 -6.5 17 17 A T E +G 27 0B 72 -2,-0.3 10,-0.3 10,-0.2 2,-0.3 -0.974 39.0 176.7-120.6 132.5 10.3 -9.0 -6.1 18 18 A F E -G 26 0B 11 8,-3.1 8,-2.8 -2,-0.4 2,-0.4 -0.784 27.9-122.8-125.2 166.6 10.3 -5.1 -6.1 19 19 A Q E -G 25 0B 90 -2,-0.3 86,-2.9 6,-0.2 87,-0.4 -0.967 28.7-145.2-112.5 132.6 12.8 -2.3 -5.6 20 20 A N B > -B 104 0A 11 4,-2.8 3,-2.5 -2,-0.4 84,-0.2 -0.262 37.7 -84.2 -83.9 177.1 12.1 0.2 -2.8 21 21 A Q T 3 S+ 0 0 30 82,-2.0 83,-0.1 1,-0.3 -1,-0.1 0.467 129.3 60.0 -61.1 -7.4 12.8 4.0 -2.6 22 22 A D T 3 S- 0 0 116 2,-0.2 -1,-0.3 81,-0.2 3,-0.1 0.275 118.8-112.4 -95.1 2.4 16.5 3.1 -1.6 23 23 A G S < S+ 0 0 52 -3,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.713 75.2 144.4 67.9 21.3 16.9 1.2 -4.9 24 24 A K - 0 0 107 -4,-0.1 -4,-2.8 1,-0.0 -1,-0.3 -0.768 53.0-119.7-103.1 133.7 17.0 -1.8 -2.6 25 25 A N E +G 19 0B 93 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.534 36.6 169.9 -77.9 133.4 15.6 -5.2 -3.6 26 26 A V E -G 18 0B 8 -8,-2.8 -8,-3.1 -2,-0.3 2,-0.3 -0.990 8.9-173.7-143.3 134.5 12.8 -6.6 -1.4 27 27 A S E > -G 17 0B 14 -2,-0.3 3,-2.0 -10,-0.3 -10,-0.2 -0.837 46.0-102.8-116.7 164.9 10.4 -9.6 -2.1 28 28 A L G >> S+ 0 0 2 -12,-1.5 3,-2.6 -2,-0.3 4,-2.4 0.783 115.5 80.3 -52.3 -28.4 7.4 -10.9 -0.2 29 29 A E G 34 S+ 0 0 155 1,-0.3 -1,-0.3 -13,-0.3 -12,-0.1 0.858 90.7 49.7 -42.0 -45.3 10.1 -13.5 0.9 30 30 A S G <4 S+ 0 0 40 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.467 121.7 33.5 -74.3 -9.0 11.2 -10.9 3.5 31 31 A L T X4 S+ 0 0 4 -3,-2.6 3,-1.6 -4,-0.2 2,-0.8 0.449 86.7 103.5-123.8 -20.8 7.6 -10.3 4.7 32 32 A K T 3< S+ 0 0 123 -4,-2.4 113,-0.2 1,-0.3 3,-0.1 -0.708 87.5 35.2 -82.7 112.8 5.9 -13.7 4.4 33 33 A G T 3 S+ 0 0 44 -2,-0.8 -1,-0.3 111,-0.7 112,-0.2 -0.251 110.5 85.1 128.2 -36.3 5.8 -14.9 8.0 34 34 A E S < S- 0 0 60 -3,-1.6 2,-0.9 110,-0.3 -1,-0.5 -0.433 82.5-119.6-102.5 163.4 5.2 -11.4 9.2 35 35 A V + 0 0 71 31,-0.2 2,-0.3 -2,-0.1 108,-0.2 -0.777 47.6 178.2-102.2 83.6 2.1 -9.1 9.7 36 36 A W E -C 142 0A 8 106,-1.7 106,-3.0 -2,-0.9 36,-0.2 -0.665 24.9-127.9-101.0 142.1 3.2 -6.4 7.4 37 37 A L E -Cd 141 72A 23 34,-1.1 36,-3.1 -2,-0.3 2,-0.3 -0.574 27.3-170.7 -88.3 152.3 1.2 -3.3 6.5 38 38 A A E +Cd 140 73A 1 102,-3.0 102,-2.8 34,-0.2 2,-0.3 -0.992 17.0 149.5-144.5 148.1 0.5 -2.2 2.9 39 39 A D E - d 0 74A 1 34,-0.9 36,-2.0 -2,-0.3 2,-0.3 -0.881 23.0-148.7-155.8 178.3 -0.9 0.7 1.0 40 40 A F E + d 0 75A 14 98,-0.3 2,-0.3 34,-0.3 36,-0.2 -0.914 22.3 159.9-156.9 140.1 -0.4 2.3 -2.5 41 41 A I E - d 0 76A 4 34,-1.4 36,-2.7 -2,-0.3 2,-0.2 -0.945 28.4-134.6-150.4 167.9 -0.7 5.9 -3.7 42 42 A F - 0 0 66 -2,-0.3 2,-0.2 34,-0.2 36,-0.1 -0.723 10.1-170.1-112.5 172.0 0.2 8.5 -6.3 43 43 A T + 0 0 6 -2,-0.2 3,-0.2 34,-0.2 47,-0.1 -0.677 54.6 95.1-166.9 102.7 1.4 12.1 -5.7 44 44 A N S S+ 0 0 92 1,-2.2 2,-0.2 -2,-0.2 0, 0.0 0.194 86.8 42.1-169.9 -61.6 1.5 14.2 -8.8 45 45 A C S S+ 0 0 114 2,-0.0 -1,-2.2 0, 0.0 -3,-0.0 -0.407 94.7 71.3 -77.3 178.7 -1.8 16.0 -8.7 46 46 A E - 0 0 80 -2,-0.2 -3,-0.0 -3,-0.2 0, 0.0 0.390 68.4-134.3 77.9 140.1 -2.7 17.2 -5.2 47 47 A T - 0 0 113 -4,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.538 56.4 -97.7 -88.1 -17.0 -1.0 20.1 -3.3 48 48 A I S S+ 0 0 50 45,-0.0 -2,-0.1 46,-0.0 -5,-0.0 0.672 80.6 121.5 80.1 113.8 -0.6 18.1 -0.1 49 49 A C + 0 0 105 1,-0.4 -3,-0.0 0, 0.0 0, 0.0 0.189 44.8 72.6-162.5 -64.1 -3.5 19.0 2.3 50 50 A P S S- 0 0 60 0, 0.0 2,-2.6 0, 0.0 -1,-0.4 -0.165 95.5 -92.4 -64.8 164.9 -5.8 16.2 3.5 51 51 A P S > S+ 0 0 60 0, 0.0 4,-0.6 0, 0.0 104,-0.0 -0.344 75.6 142.4 -75.6 62.3 -4.6 13.5 6.1 52 52 A M T 4 S+ 0 0 22 -2,-2.6 3,-0.4 1,-0.2 4,-0.4 1.000 80.2 8.4 -71.1 -72.0 -3.5 11.3 3.2 53 53 A T T > S+ 0 0 1 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.533 108.7 96.3 -86.0 -8.6 -0.3 9.7 4.4 54 54 A A H > S+ 0 0 37 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.837 81.7 51.3 -52.8 -41.1 -0.9 11.2 7.9 55 55 A H H X S+ 0 0 48 -4,-0.6 4,-3.1 -3,-0.4 -1,-0.2 0.978 112.3 44.9 -62.5 -55.7 -2.5 7.9 9.1 56 56 A M H > S+ 0 0 0 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.904 114.2 51.4 -47.2 -46.8 0.5 5.9 7.8 57 57 A T H X S+ 0 0 31 -4,-3.0 4,-0.7 2,-0.2 -2,-0.2 0.923 111.2 47.0 -61.2 -44.8 2.8 8.6 9.4 58 58 A D H >X S+ 0 0 90 -4,-3.0 3,-1.4 1,-0.2 4,-0.8 0.949 112.6 49.1 -61.6 -47.4 0.9 8.3 12.7 59 59 A L H 3X S+ 0 0 58 -4,-3.1 4,-3.1 1,-0.3 -1,-0.2 0.765 92.8 76.1 -64.9 -28.0 1.1 4.5 12.5 60 60 A Q H 3X S+ 0 0 10 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.3 0.840 95.5 53.3 -49.7 -34.7 4.9 4.7 11.8 61 61 A K H X< S+ 0 0 122 -3,-1.4 3,-2.1 -4,-0.7 4,-0.4 0.995 108.9 44.5 -60.5 -67.7 5.1 5.5 15.5 62 62 A K H >X S+ 0 0 109 -4,-0.8 3,-2.3 1,-0.3 4,-0.9 0.853 100.7 73.6 -41.7 -45.2 3.1 2.3 16.6 63 63 A L H >X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.3 3,-0.6 0.795 81.5 69.0 -43.6 -38.9 5.3 0.4 14.1 64 64 A K H << S+ 0 0 89 -3,-2.1 -1,-0.3 -4,-0.7 4,-0.2 0.877 105.6 41.3 -49.3 -41.4 8.3 0.7 16.5 65 65 A A H <4 S+ 0 0 68 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.721 121.1 41.1 -76.1 -26.6 6.3 -1.7 18.8 66 66 A E H << S+ 0 0 75 -4,-0.9 4,-0.4 -3,-0.6 3,-0.3 0.548 85.3 112.0 -93.5 -15.3 5.2 -3.9 15.8 67 67 A N >< + 0 0 73 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 0.600 24.9 125.4 -33.7 -47.3 8.7 -3.7 14.2 68 68 A I T 3 S- 0 0 141 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.152 109.4 -51.6 12.3 -90.4 9.8 -7.3 14.6 69 69 A D T 3 S+ 0 0 72 -3,-0.3 2,-0.5 -38,-0.1 -1,-0.3 -0.235 108.2 127.8-140.0 46.2 10.4 -7.5 10.8 70 70 A V < - 0 0 7 -3,-1.9 2,-0.3 -4,-0.4 -34,-0.1 -0.833 38.7-173.3 -82.7 134.9 7.0 -6.2 9.9 71 71 A R - 0 0 25 -2,-0.5 -34,-1.1 -34,-0.1 2,-0.8 -0.922 28.3-122.7-125.2 152.8 7.4 -3.3 7.5 72 72 A I E -de 37 101A 0 28,-1.3 30,-1.8 -2,-0.3 2,-0.3 -0.907 33.3-160.7 -92.3 109.6 4.8 -0.9 6.1 73 73 A I E -de 38 102A 4 -36,-3.1 -34,-0.9 -2,-0.8 2,-0.3 -0.699 11.0-174.3 -88.1 150.6 5.1 -1.3 2.3 74 74 A S E -de 39 103A 0 28,-2.6 30,-1.8 -2,-0.3 -34,-0.3 -0.818 10.3-156.7-145.9 98.8 3.7 1.4 0.1 75 75 A F E -de 40 104A 3 -36,-2.0 -34,-1.4 -2,-0.3 2,-0.3 -0.472 23.5-104.5 -84.4 155.5 3.7 0.7 -3.7 76 76 A S E -d 41 0A 0 28,-2.3 2,-0.2 29,-0.3 -34,-0.2 -0.557 22.0-145.8 -75.2 132.0 3.7 3.4 -6.4 77 77 A V S S- 0 0 16 -36,-2.7 6,-0.3 -2,-0.3 -34,-0.2 -0.612 86.4 -1.5 -85.5 158.3 0.5 4.1 -8.3 78 78 A D S >> S+ 0 0 33 -2,-0.2 4,-2.6 1,-0.1 3,-0.5 0.702 77.0 178.8 7.4 70.6 1.3 5.1 -11.9 79 79 A P T 34 + 0 0 6 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.707 69.0 68.9 -60.6 -22.7 5.1 5.0 -11.4 80 80 A E T 34 S+ 0 0 100 27,-0.2 28,-0.1 2,-0.1 -2,-0.1 0.975 116.9 21.0 -62.7 -52.5 5.8 5.9 -15.0 81 81 A N T <4 S+ 0 0 81 -3,-0.5 -1,-0.1 2,-0.0 -3,-0.1 0.958 135.5 39.1 -77.8 -48.8 4.5 9.5 -14.6 82 82 A D S < S- 0 0 6 -4,-2.6 4,-0.4 -5,-0.1 -2,-0.1 0.989 86.5-176.8 -61.8 -68.6 4.9 9.7 -10.8 83 83 A K >> - 0 0 97 -6,-0.3 3,-2.1 -5,-0.2 4,-1.2 0.332 48.5 -81.9 76.1 151.4 8.2 7.8 -10.2 84 84 A P H 3> S+ 0 0 47 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.797 127.4 69.6 -56.1 -28.1 9.7 7.1 -6.7 85 85 A K H 3> S+ 0 0 162 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.855 98.1 50.0 -52.8 -39.2 11.1 10.7 -6.8 86 86 A Q H <> S+ 0 0 58 -3,-2.1 4,-2.9 -4,-0.4 5,-0.2 0.933 109.9 48.8 -69.0 -43.6 7.5 11.9 -6.4 87 87 A L H X S+ 0 0 2 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.925 112.6 50.2 -58.0 -42.0 7.0 9.5 -3.5 88 88 A K H X S+ 0 0 81 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.958 112.0 46.2 -58.6 -53.8 10.3 10.9 -2.1 89 89 A K H < S+ 0 0 127 -4,-2.9 4,-0.2 2,-0.2 -2,-0.2 0.896 113.2 49.9 -54.9 -44.3 9.1 14.5 -2.6 90 90 A F H >X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 3,-1.7 0.912 108.6 51.9 -63.4 -41.3 5.7 13.6 -1.0 91 91 A A H 3<>S+ 0 0 9 -4,-2.8 5,-1.0 1,-0.3 -1,-0.2 0.784 103.0 59.3 -66.4 -28.2 7.6 12.0 1.9 92 92 A A T 3<5S+ 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.570 115.5 36.2 -71.4 -10.4 9.5 15.3 2.2 93 93 A N T <45S+ 0 0 77 -3,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.796 109.7 58.3-105.0 -63.5 6.0 16.9 2.8 94 94 A Y T <5S- 0 0 14 -4,-2.8 2,-2.4 1,-0.1 -1,-0.3 -0.655 101.3-123.4 -63.7 111.5 4.1 14.3 4.8 95 95 A P T 5 + 0 0 110 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.347 57.2 152.8 -74.0 75.4 6.7 14.3 7.7 96 96 A L < - 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