==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL-BINDING PROTEIN 22-FEB-08 2VOV . COMPND 2 MOLECULE: SURFACE-ASSOCIATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOCOCCUS CAPSULATUS; . AUTHOR R.HELLAND,A.FJELLBIRKELAND,O.A.KARLSEN,T.VE,J.R.LILLEHAUG, . 290 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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-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 . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 1 1 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 PARALLEL BRIDGES PER LADDER . 1 3 1 2 0 2 2 2 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 . 5 1 1 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 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 47 A G 0 0 96 0, 0.0 2,-0.1 0, 0.0 162,-0.1 0.000 360.0 360.0 360.0 -87.8 31.7 7.3 24.5 2 48 A V - 0 0 46 160,-0.2 161,-0.2 1,-0.1 196,-0.0 0.575 360.0-131.2 -85.1 165.4 29.4 8.3 25.6 3 49 A A E -a 163 0A 3 159,-0.7 161,-2.7 -2,-0.1 2,-0.4 -0.190 11.5-140.3 -60.8 158.7 30.0 12.1 25.4 4 50 A E E -a 164 0A 102 159,-0.2 2,-0.6 193,-0.0 161,-0.2 -0.997 9.6-158.5-122.8 125.2 29.3 14.3 28.4 5 51 A V E -a 165 0A 19 159,-2.9 161,-2.8 -2,-0.4 2,-0.6 -0.926 9.2-160.7-104.5 120.5 27.7 17.7 27.7 6 52 A V E -a 166 0A 65 -2,-0.6 2,-0.2 159,-0.2 161,-0.2 -0.912 6.6-165.5-110.8 116.5 28.4 20.2 30.5 7 53 A E E -a 167 0A 17 159,-3.5 161,-2.4 -2,-0.6 2,-0.5 -0.638 17.0-129.7 -99.5 155.9 26.2 23.2 30.8 8 54 A T E -a 168 0A 98 -2,-0.2 7,-0.3 159,-0.2 161,-0.2 -0.927 30.4-117.5-105.2 122.7 26.6 26.4 32.8 9 55 A F + 0 0 36 159,-2.9 2,-0.3 -2,-0.5 7,-0.2 -0.343 41.2 164.6 -61.0 131.6 23.7 27.4 34.9 10 56 A K - 0 0 153 5,-1.5 128,-0.1 -2,-0.1 5,-0.1 -0.959 25.6-137.6-148.0 129.6 22.1 30.7 34.0 11 57 A N S S+ 0 0 50 -2,-0.3 2,-0.2 1,-0.2 3,-0.0 -0.964 96.1 29.7-137.5 120.4 18.6 32.0 35.2 12 58 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.552 114.0 90.4 -68.4 154.1 16.9 33.3 33.2 13 59 A G S > S- 0 0 26 -2,-0.2 3,-0.6 1,-0.1 144,-0.1 -0.950 88.1 -82.6 168.4 174.9 18.4 31.3 30.5 14 60 A T T 3 S+ 0 0 66 -2,-0.3 143,-2.3 1,-0.3 2,-0.7 0.875 124.4 45.1 -67.6 -39.9 18.4 28.1 28.3 15 61 A Y T 3 S+ 0 0 38 -7,-0.3 -5,-1.5 141,-0.2 -1,-0.3 -0.513 73.8 125.8-107.0 63.6 20.3 26.1 31.0 16 62 A S S < S- 0 0 0 -2,-0.7 122,-2.7 -3,-0.6 123,-0.2 0.203 79.4-112.0-105.7 10.9 18.2 27.3 33.9 17 63 A S - 0 0 0 138,-2.2 122,-0.4 120,-0.2 138,-0.2 0.935 48.7-165.6 52.0 55.2 17.2 23.8 35.2 18 64 A P - 0 0 0 0, 0.0 136,-2.4 0, 0.0 2,-0.2 -0.193 18.2-106.3 -69.5 159.0 13.6 24.2 34.3 19 65 A V E -C 153 0B 19 134,-0.2 2,-0.3 136,-0.1 134,-0.2 -0.519 27.8-158.1 -79.8 146.9 10.8 22.0 35.6 20 66 A I E -C 152 0B 4 132,-2.9 132,-2.0 -2,-0.2 2,-0.4 -0.873 13.4-130.6-117.9 165.3 9.0 19.5 33.4 21 67 A N E -C 151 0B 44 -2,-0.3 69,-0.5 130,-0.2 130,-0.2 -0.945 6.9-156.7-124.6 132.2 5.6 18.0 34.0 22 68 A F S S+ 0 0 3 128,-3.1 17,-2.3 -2,-0.4 129,-0.1 0.459 91.8 48.3 -89.0 -0.4 4.6 14.4 33.9 23 69 A K S S+ 0 0 55 127,-0.4 13,-2.2 15,-0.2 -1,-0.2 0.713 76.2 108.7-108.2 -32.4 0.9 15.0 33.2 24 70 A I B +D 35 0C 47 11,-0.2 11,-0.2 1,-0.1 66,-0.1 -0.251 32.8 164.2 -58.5 131.9 0.9 17.5 30.3 25 71 A A + 0 0 8 9,-2.9 26,-2.6 25,-0.1 10,-0.2 0.564 32.1 107.9-126.0 -19.1 -0.3 15.7 27.2 26 72 A S - 0 0 15 8,-1.3 3,-0.1 24,-0.2 -2,-0.0 -0.218 66.9-110.8 -69.7 155.1 -1.3 18.3 24.6 27 73 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.229 39.6 -87.5 -72.4 169.7 0.7 19.2 21.5 28 74 A P S S+ 0 0 39 0, 0.0 251,-0.6 0, 0.0 252,-0.1 -0.340 79.4 87.5 -68.2 163.5 2.6 22.4 20.8 29 75 A G S S- 0 0 41 1,-0.1 249,-0.0 250,-0.1 -3,-0.0 -0.767 93.4 -56.7 132.2-178.9 0.7 25.3 19.3 30 76 A P S S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.669 95.4 109.1 -72.5 -15.8 -1.5 28.2 20.4 31 77 A G S S- 0 0 60 -3,-0.1 -2,-0.1 1,-0.1 -5,-0.0 -0.227 76.2-102.9 -65.4 146.7 -4.0 25.9 22.3 32 78 A T - 0 0 120 1,-0.1 -1,-0.1 -6,-0.0 2,-0.1 -0.240 49.4 -90.8 -60.8 154.2 -4.3 25.8 26.0 33 79 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.331 31.7-156.6 -75.3 149.0 -2.8 22.8 27.8 34 80 A I - 0 0 86 -7,-0.1 -9,-2.9 -2,-0.1 -8,-1.3 -0.987 8.9-159.0-122.3 138.9 -4.5 19.5 28.6 35 81 A Y B +D 24 0C 128 -2,-0.4 -11,-0.2 -11,-0.2 -12,-0.0 -0.895 11.6 175.5-117.4 143.8 -3.3 17.3 31.4 36 82 A G - 0 0 24 -13,-2.2 3,-0.1 -2,-0.4 14,-0.0 -0.483 50.4 -41.3-123.1-159.5 -3.9 13.6 32.0 37 83 A P S S- 0 0 85 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.279 73.7 -90.1 -66.4 152.4 -2.6 11.1 34.6 38 84 A P - 0 0 43 0, 0.0 2,-2.0 0, 0.0 -15,-0.2 -0.414 38.5-118.6 -65.8 137.4 1.1 11.3 35.6 39 85 A R + 0 0 4 -17,-2.3 53,-2.5 51,-0.3 2,-0.6 -0.501 51.8 156.1 -82.1 78.3 3.3 9.2 33.4 40 86 A D B -e 92 0D 46 -2,-2.0 53,-0.2 51,-0.2 51,-0.0 -0.917 20.2-178.5-105.3 114.2 4.7 6.8 36.1 41 87 A F > + 0 0 0 51,-3.0 3,-2.4 -2,-0.6 52,-0.2 0.298 31.6 140.8 -95.3 8.2 5.8 3.5 34.6 42 88 A S T 3 S+ 0 0 20 50,-0.3 53,-0.1 1,-0.3 -2,-0.1 -0.273 72.1 21.8 -54.6 135.6 6.9 2.0 37.9 43 89 A G T 3 S- 0 0 62 51,-0.6 -1,-0.3 245,-0.0 246,-0.1 0.124 110.5-128.7 89.4 -19.6 5.9 -1.7 38.1 44 90 A Y S < S+ 0 0 14 -3,-2.4 244,-0.2 244,-0.1 3,-0.1 0.065 81.6 94.4 67.7-176.8 5.9 -1.8 34.2 45 91 A N + 0 0 107 242,-1.6 2,-0.3 1,-0.3 243,-0.2 0.921 68.8 131.7 54.7 44.8 3.2 -3.0 31.9 46 92 A K E -J 287 0E 77 241,-1.6 241,-2.1 -5,-0.1 2,-0.3 -0.892 37.2-170.7-126.9 155.5 1.9 0.6 31.8 47 93 A S E -J 286 0E 58 -2,-0.3 2,-0.3 239,-0.2 239,-0.2 -0.990 4.5-178.0-153.7 134.9 1.0 2.8 28.9 48 94 A Y E -J 285 0E 43 237,-2.2 237,-2.9 -2,-0.3 2,-0.4 -0.989 16.9-139.4-138.9 146.4 0.2 6.5 28.4 49 95 A S E +J 284 0E 42 -2,-0.3 2,-0.3 235,-0.2 235,-0.2 -0.859 32.8 145.9-108.5 142.0 -0.8 8.6 25.4 50 96 A L E -J 283 0E 0 233,-2.3 233,-3.1 -2,-0.4 2,-0.4 -0.967 42.8-101.2-163.8 164.1 0.5 12.1 24.7 51 97 A A E -J 282 0E 0 -26,-2.6 2,-0.4 -2,-0.3 231,-0.2 -0.812 27.1-161.7-101.5 141.0 1.4 14.4 21.8 52 98 A I E -J 281 0E 0 229,-2.5 229,-2.3 -2,-0.4 36,-0.2 -0.956 29.0-100.8-122.8 138.0 4.9 15.2 20.6 53 99 A G E > -J 280 0E 3 34,-2.9 3,-1.6 -2,-0.4 199,-0.7 -0.231 34.2-110.7 -60.3 141.4 6.1 18.1 18.5 54 100 A K T 3 S+ 0 0 56 225,-2.3 3,-0.1 1,-0.3 -1,-0.1 0.780 112.4 13.6 -34.8 -52.1 6.7 17.6 14.8 55 101 A T T > S+ 0 0 17 198,-0.1 3,-0.9 1,-0.1 -1,-0.3 0.193 90.1 125.4-115.5 16.7 10.5 18.0 14.9 56 102 A S T < + 0 0 0 -3,-1.6 28,-2.6 1,-0.2 3,-0.3 0.712 67.5 51.2 -57.7 -32.5 11.0 17.8 18.7 57 103 A Y T 3 S+ 0 0 0 195,-2.5 2,-0.4 -4,-0.3 -1,-0.2 0.847 129.2 16.5 -75.8 -35.5 13.6 14.9 18.9 58 104 A Y S < S+ 0 0 5 -3,-0.9 -1,-0.3 194,-0.8 196,-0.3 -0.869 91.1 179.1-142.4 95.7 16.1 16.4 16.4 59 105 A D > - 0 0 2 23,-2.6 3,-2.2 -2,-0.4 5,-0.4 -0.820 33.7-177.9-129.2 92.5 15.0 19.9 16.1 60 106 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.772 85.3 73.7 -56.3 -23.1 16.5 22.7 14.0 61 107 A T G 3 S+ 0 0 75 1,-0.3 22,-0.1 2,-0.1 -5,-0.0 0.636 82.1 69.8 -69.5 -11.2 14.0 25.1 15.4 62 108 A T G < S- 0 0 17 -3,-2.2 -1,-0.3 20,-0.3 3,-0.1 0.697 94.0-143.8 -71.0 -21.3 15.9 25.0 18.7 63 109 A G < + 0 0 57 -3,-1.8 2,-0.4 -4,-0.3 -2,-0.1 0.673 63.3 114.7 65.1 17.5 18.7 27.0 16.9 64 110 A T - 0 0 36 -5,-0.4 18,-2.6 18,-0.1 2,-0.3 -0.974 42.1-179.1-132.0 127.1 21.1 24.9 19.0 65 111 A K E -M 81 0F 105 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.914 6.4-163.0-120.7 148.2 23.8 22.4 18.0 66 112 A W E -M 80 0F 9 14,-2.7 14,-3.1 -2,-0.3 2,-0.5 -0.788 14.9-129.0-122.4 169.9 26.2 20.2 20.0 67 113 A N - 0 0 89 -2,-0.3 2,-1.0 12,-0.2 11,-0.2 -0.982 6.4-147.4-124.3 124.7 29.3 18.3 19.1 68 114 A D > - 0 0 2 9,-3.0 3,-1.2 -2,-0.5 9,-0.0 -0.803 14.4-174.0 -91.8 103.6 29.9 14.7 20.1 69 115 A D T 3 S+ 0 0 125 -2,-1.0 -1,-0.1 1,-0.3 5,-0.1 0.301 73.2 73.4 -85.3 9.7 33.7 14.5 20.6 70 116 A T T 3 S+ 0 0 55 7,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.424 78.5 98.7 -96.7 -1.5 33.8 10.8 21.1 71 117 A I S < S- 0 0 32 -3,-1.2 6,-0.2 3,-0.2 5,-0.1 -0.689 72.1-120.3 -93.5 138.9 33.2 10.1 17.4 72 118 A T S S+ 0 0 134 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.992 101.1 37.7-120.3 127.9 35.9 9.3 14.9 73 119 A P S > S- 0 0 64 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.564 90.4-140.2 -72.9 155.3 36.3 11.0 12.6 74 120 A V G > S+ 0 0 87 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.840 99.0 61.0 -49.1 -42.4 35.7 14.1 14.6 75 121 A S G > S+ 0 0 76 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.810 92.3 66.4 -59.9 -30.4 33.7 15.8 11.8 76 122 A D G < S+ 0 0 55 -3,-1.5 -1,-0.3 1,-0.3 143,-0.2 0.594 104.5 45.9 -67.1 -10.7 31.2 12.9 11.9 77 123 A G G < S+ 0 0 0 -3,-2.0 -9,-3.0 -4,-0.3 3,-0.3 0.313 91.8 104.4-113.9 7.3 30.1 14.1 15.3 78 124 A Q S < S+ 0 0 83 -3,-1.4 -11,-0.2 -11,-0.2 142,-0.2 -0.573 71.7 20.4 -94.5 154.0 29.9 17.9 14.8 79 125 A D S S+ 0 0 94 1,-0.2 2,-0.6 -2,-0.2 -1,-0.2 0.900 70.7 173.1 64.2 48.2 26.8 20.1 14.3 80 126 A I E -M 66 0F 0 -14,-3.1 -14,-2.7 -3,-0.3 -1,-0.2 -0.778 30.4-128.4 -88.5 118.2 24.2 17.9 15.9 81 127 A W E -M 65 0F 20 -2,-0.6 -16,-0.2 -16,-0.2 136,-0.1 -0.439 24.1-129.7 -63.4 137.7 20.8 19.6 16.3 82 128 A R - 0 0 12 -18,-2.6 -23,-2.6 -23,-0.2 -20,-0.3 -0.337 16.8-116.1 -75.8 166.2 19.4 19.4 19.8 83 129 A G E -N 159 0G 0 76,-2.6 76,-2.3 -25,-0.2 2,-0.6 -0.552 30.4-105.5 -91.1 166.7 15.9 18.2 20.7 84 130 A X E > -N 158 0G 74 -28,-2.6 4,-1.2 74,-0.2 74,-0.2 -0.862 21.5-153.6 -97.9 120.9 13.3 20.5 22.4 85 131 A T T 4 S+ 0 0 0 72,-2.0 -1,-0.1 -2,-0.6 73,-0.1 0.848 91.2 38.3 -59.6 -36.0 12.8 19.7 26.1 86 132 A H T 4 S+ 0 0 73 71,-0.5 -1,-0.2 1,-0.2 4,-0.1 0.589 110.3 54.6-103.7 -10.2 9.3 21.0 26.2 87 133 A T T 4 S+ 0 0 30 -3,-0.2 -34,-2.9 -31,-0.1 -31,-0.2 0.605 105.0 64.7 -96.3 -14.2 7.8 19.9 22.9 88 134 A G S < S- 0 0 2 -4,-1.2 2,-0.4 -36,-0.2 163,-0.2 -0.320 93.3-117.7 -77.6-179.1 8.8 16.4 23.7 89 135 A K E - F 0 250D 8 161,-2.6 161,-2.3 -2,-0.1 2,-0.3 -0.983 18.3-141.0-132.1 144.9 7.2 14.7 26.7 90 136 A W E + F 0 249D 5 -69,-0.5 -51,-0.3 -2,-0.4 2,-0.3 -0.763 21.5 165.1-110.3 147.1 8.6 13.4 29.9 91 137 A S E - F 0 248D 0 157,-2.2 157,-2.8 -2,-0.3 2,-0.3 -0.877 13.9-156.8-144.1 172.0 7.8 10.3 32.0 92 138 A F E -eF 40 247D 29 -53,-2.5 -51,-3.0 -2,-0.3 -50,-0.3 -0.949 8.0-176.4-146.5 167.1 9.5 8.5 34.9 93 139 A F E - 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