==== 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 17-MAR-08 2K1X . COMPND 2 MOLECULE: BETA/GAMA CRYSTALLIN FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR R.BARNWAL,M.JOBBY,K.DEVI,Y.SHARMA,K.CHARY . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 47.1 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 . 21 24.7 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 . 0 0.0 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-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 . 13 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.2 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+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 . 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 . 0 1 2 2 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 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 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 M 0 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.2 2.1 -0.0 -1.2 2 2 A N + 0 0 119 21,-0.0 3,-0.1 1,-0.0 20,-0.0 -0.906 360.0 138.1-148.1 115.2 2.8 -3.0 -3.4 3 3 A A + 0 0 98 -2,-0.3 2,-0.2 1,-0.1 20,-0.1 -0.368 46.6 84.5-155.7 66.4 5.3 -3.3 -6.3 4 4 A A - 0 0 39 18,-0.1 2,-0.6 40,-0.0 20,-0.3 -0.600 52.0-156.7-171.9 103.7 7.2 -6.6 -6.3 5 5 A E - 0 0 125 37,-0.2 37,-0.7 -2,-0.2 2,-0.6 -0.766 11.2-167.1 -90.0 118.8 6.1 -9.9 -7.8 6 6 A V E -A 41 0A 2 -2,-0.6 2,-0.7 15,-0.6 15,-0.3 -0.909 2.9-172.0-110.6 111.2 7.8 -12.9 -6.2 7 7 A I E +A 40 0A 22 33,-0.9 33,-1.0 -2,-0.6 2,-0.4 -0.888 15.4 161.6-106.3 110.9 7.4 -16.2 -8.1 8 8 A V E -AB 39 19A 13 11,-1.6 11,-1.4 -2,-0.7 2,-0.4 -0.988 30.4-135.5-131.5 138.8 8.7 -19.2 -6.3 9 9 A Y E -AB 38 18A 79 29,-1.5 29,-0.5 -2,-0.4 2,-0.3 -0.748 5.6-147.0 -94.5 137.2 8.0 -22.9 -6.8 10 10 A E S S+ 0 0 112 7,-3.3 7,-0.3 -2,-0.4 2,-0.3 -0.214 80.0 11.2 -94.0 42.9 7.3 -25.2 -3.8 11 11 A H S S- 0 0 94 -2,-0.3 27,-0.8 27,-0.2 5,-0.2 -0.975 104.9 -30.3 174.5-169.8 8.9 -28.2 -5.5 12 12 A V > - 0 0 49 3,-0.3 2,-1.3 -2,-0.3 3,-0.9 -0.178 60.6-107.4 -64.7 161.0 11.1 -29.4 -8.4 13 13 A N T 3 S+ 0 0 88 1,-0.2 -1,-0.1 2,-0.1 24,-0.0 -0.330 112.9 48.4 -87.3 53.8 11.0 -27.6 -11.7 14 14 A F T 3 S+ 0 0 169 -2,-1.3 -1,-0.2 0, 0.0 -2,-0.1 0.169 124.2 11.7-177.1 28.7 9.0 -30.4 -13.4 15 15 A G S < S+ 0 0 65 -3,-0.9 -3,-0.3 1,-0.1 2,-0.3 0.358 92.9 106.7 153.2 52.7 6.1 -31.3 -11.2 16 16 A G - 0 0 33 -5,-0.2 2,-0.4 -4,-0.1 -5,-0.2 -0.894 65.2 -95.2-142.0 171.5 5.5 -28.8 -8.4 17 17 A K - 0 0 114 -7,-0.3 -7,-3.3 -2,-0.3 2,-0.3 -0.755 36.6-164.9 -93.4 134.3 3.1 -26.1 -7.2 18 18 A S E -B 9 0A 56 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.860 6.4-174.9-118.5 153.0 3.9 -22.5 -7.9 19 19 A F E -B 8 0A 56 -11,-1.4 -11,-1.6 -2,-0.3 2,-0.1 -0.997 14.3-175.4-148.6 141.4 2.6 -19.2 -6.5 20 20 A D + 0 0 72 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.581 15.2 178.2-137.8 73.0 3.1 -15.5 -7.2 21 21 A A - 0 0 43 -15,-0.3 -15,-0.6 -2,-0.1 3,-0.3 -0.629 21.6-153.4 -80.4 129.6 1.1 -13.4 -4.7 22 22 A T S S+ 0 0 65 -2,-0.4 -1,-0.1 1,-0.2 -18,-0.1 -0.169 85.0 63.3 -93.8 40.1 1.5 -9.7 -5.1 23 23 A S S S- 0 0 84 -2,-0.1 -1,-0.2 -20,-0.1 -18,-0.1 -0.210 123.0 -60.9-158.1 54.4 0.8 -9.0 -1.4 24 24 A D - 0 0 145 -3,-0.3 -2,-0.1 -20,-0.3 -19,-0.0 0.868 60.9-126.2 64.0 107.1 3.5 -10.6 0.7 25 25 A Q - 0 0 19 -4,-0.2 59,-0.2 1,-0.1 3,-0.1 -0.347 29.3 -96.5 -79.9 162.7 3.7 -14.4 0.3 26 26 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.774 62.7-168.1 -47.8 -29.4 3.5 -16.9 3.2 27 27 A G - 0 0 35 2,-0.1 2,-0.6 54,-0.1 56,-0.1 -0.157 39.4 -29.1 67.8-166.4 7.3 -17.0 3.1 28 28 A A S S+ 0 0 16 54,-0.4 54,-0.2 1,-0.2 -1,-0.0 -0.763 80.6 121.7 -89.9 120.8 9.5 -19.5 4.9 29 29 A G S S+ 0 0 63 -2,-0.6 -1,-0.2 52,-0.1 51,-0.1 0.494 70.6 48.6-143.3 -39.7 7.8 -20.9 8.1 30 30 A D S S+ 0 0 172 49,-0.1 -2,-0.1 2,-0.0 49,-0.0 0.036 83.8 133.4 -97.4 25.2 7.5 -24.6 7.9 31 31 A N + 0 0 52 49,-0.3 48,-0.0 1,-0.1 3,-0.0 0.061 14.3 144.8 -64.3-178.4 11.1 -25.1 6.8 32 32 A L - 0 0 92 47,-0.1 46,-1.4 45,-0.0 44,-0.2 -0.265 67.8 -64.8-176.8 -85.8 13.5 -27.6 8.3 33 33 A N S S+ 0 0 22 44,-0.2 2,-2.3 43,-0.1 44,-0.1 0.312 109.1 80.6-159.1 -40.3 16.2 -29.4 6.2 34 34 A D + 0 0 134 42,-0.2 2,-0.4 40,-0.1 40,-0.1 -0.343 64.5 144.8 -78.9 59.1 14.5 -31.6 3.6 35 35 A K + 0 0 56 -2,-2.3 2,-0.3 38,-0.3 38,-0.2 -0.857 16.9 163.0-104.0 133.3 13.9 -28.6 1.3 36 36 A I + 0 0 63 -2,-0.4 2,-0.3 34,-0.1 33,-0.2 -0.836 24.0 100.0-153.1 109.7 14.1 -28.9 -2.5 37 37 A S - 0 0 31 31,-0.9 2,-0.3 -2,-0.3 31,-0.3 -0.897 57.8 -89.4-165.0-168.3 12.7 -26.5 -5.0 38 38 A S E -A 9 0A 3 -27,-0.8 -29,-1.5 -29,-0.5 2,-0.4 -0.905 24.7-146.4-124.1 152.0 13.4 -23.6 -7.4 39 39 A I E -AC 8 66A 8 27,-2.7 27,-1.9 -2,-0.3 2,-0.4 -0.946 12.5-176.3-120.9 139.3 13.5 -19.8 -7.0 40 40 A K E -AC 7 65A 97 -33,-1.0 -33,-0.9 -2,-0.4 2,-0.4 -0.986 1.1-177.5-138.0 125.9 12.6 -17.1 -9.5 41 41 A V E +AC 6 64A 3 23,-0.8 23,-0.7 -2,-0.4 -35,-0.1 -0.968 15.8 166.4-125.6 139.0 12.9 -13.4 -9.1 42 42 A K + 0 0 167 -37,-0.7 -37,-0.2 -2,-0.4 2,-0.2 -0.134 68.1 47.1-140.9 39.4 11.9 -10.6 -11.5 43 43 A S S S- 0 0 56 1,-0.4 -1,-0.2 -39,-0.1 42,-0.0 -0.550 108.4 -41.2 177.9 110.7 12.0 -7.5 -9.4 44 44 A G S S- 0 0 52 -2,-0.2 -1,-0.4 -3,-0.1 2,-0.3 -0.266 79.6 -78.1 63.9-150.2 14.6 -6.2 -6.9 45 45 A T - 0 0 54 40,-0.6 2,-0.2 17,-0.1 17,-0.2 -0.972 32.3-149.2-148.4 160.6 16.2 -8.7 -4.5 46 46 A W E -D 61 0B 0 15,-1.4 15,-0.9 -2,-0.3 2,-0.5 -0.696 19.7-116.3-124.5 177.5 15.6 -10.6 -1.3 47 47 A R E -DE 60 83B 112 36,-1.1 36,-1.2 13,-0.2 2,-0.5 -0.946 23.3-166.6-123.6 111.9 17.6 -11.9 1.6 48 48 A F E +DE 59 82B 27 11,-2.5 11,-2.3 -2,-0.5 2,-0.4 -0.857 14.2 167.4-101.0 124.0 17.7 -15.7 2.2 49 49 A Y E -DE 58 81B 57 32,-2.2 32,-2.8 -2,-0.5 2,-0.9 -0.985 24.4-156.1-140.0 126.6 19.1 -16.9 5.5 50 50 A E + 0 0 19 7,-0.5 7,-0.5 -2,-0.4 30,-0.3 -0.776 62.9 59.1-104.1 89.6 18.9 -20.4 7.0 51 51 A Y S S- 0 0 130 -2,-0.9 5,-0.2 5,-0.2 4,-0.1 -0.975 89.6 -34.3 177.3-174.3 19.2 -20.0 10.8 52 52 A I - 0 0 93 3,-0.4 3,-0.4 -2,-0.3 -1,-0.1 0.080 63.5-100.9 -54.9 174.2 17.6 -18.4 13.9 53 53 A N S S+ 0 0 121 1,-0.2 -1,-0.1 27,-0.1 3,-0.1 0.302 117.9 53.0 -83.1 10.1 16.0 -15.0 13.8 54 54 A Y S S- 0 0 197 1,-0.4 -1,-0.2 0, 0.0 -2,-0.1 -0.470 119.1 -3.3-144.4 67.3 19.1 -13.5 15.3 55 55 A G S S+ 0 0 53 -3,-0.4 -3,-0.4 -4,-0.1 -1,-0.4 0.239 72.4 133.7 116.4 121.1 22.2 -14.6 13.2 56 56 A G - 0 0 38 -5,-0.2 2,-1.2 -3,-0.1 -5,-0.2 -0.983 62.3 -49.4-177.3 174.5 22.5 -16.8 10.2 57 57 A R - 0 0 91 -7,-0.5 2,-0.7 -2,-0.3 -7,-0.5 -0.456 55.8-152.4 -64.6 95.9 24.0 -17.3 6.8 58 58 A Y E +D 49 0B 140 -2,-1.2 2,-0.4 -9,-0.2 -9,-0.2 -0.623 27.5 161.0 -76.4 111.9 23.0 -14.1 5.1 59 59 A W E -D 48 0B 83 -11,-2.3 -11,-2.5 -2,-0.7 2,-0.4 -0.892 19.8-163.4-138.3 105.9 22.6 -14.7 1.4 60 60 A D E -D 47 0B 75 -2,-0.4 2,-0.4 -13,-0.3 -13,-0.2 -0.708 10.7-146.0 -90.7 137.6 20.7 -12.3 -0.9 61 61 A L E -D 46 0B 11 -15,-0.9 -15,-1.4 -2,-0.4 3,-0.1 -0.820 15.2-167.9-104.8 142.1 19.5 -13.5 -4.3 62 62 A G - 0 0 30 -2,-0.4 -21,-0.2 -17,-0.2 -17,-0.1 -0.405 48.3 -29.5-113.8-168.6 19.3 -11.2 -7.3 63 63 A P S S+ 0 0 116 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.203 100.6 74.8 -46.8 109.9 17.8 -11.3 -10.9 64 64 A G E -C 41 0A 40 -23,-0.7 -23,-0.8 -3,-0.1 2,-0.4 -0.764 67.5-114.6 155.9 158.5 17.9 -14.9 -11.9 65 65 A E E +C 40 0A 95 -2,-0.2 2,-0.3 -25,-0.2 -25,-0.2 -0.932 30.3 168.9-121.6 143.9 16.4 -18.4 -11.4 66 66 A Y E -C 39 0A 54 -27,-1.9 -27,-2.7 -2,-0.4 2,-0.2 -0.974 24.6-155.0-148.6 160.1 17.9 -21.5 -9.9 67 67 A S + 0 0 67 -2,-0.3 -29,-0.2 -29,-0.3 2,-0.2 -0.623 24.4 173.0-140.7 78.0 16.8 -25.0 -8.7 68 68 A S + 0 0 41 -31,-0.3 -31,-0.9 -2,-0.2 -2,-0.1 -0.537 14.7 165.6 -86.6 153.1 19.2 -26.4 -6.1 69 69 A V S S+ 0 0 69 -2,-0.2 -1,-0.1 -33,-0.2 -31,-0.0 0.096 78.7 27.7-153.4 23.9 18.6 -29.6 -4.2 70 70 A E S S+ 0 0 155 0, 0.0 -34,-0.1 0, 0.0 -2,-0.0 0.118 118.8 43.0-179.5 39.9 21.9 -30.5 -2.6 71 71 A S S S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.325 91.5 72.8-157.9 -40.2 23.9 -27.3 -2.0 72 72 A A S S- 0 0 26 1,-0.2 2,-0.1 -37,-0.1 -36,-0.1 0.974 119.8 -42.6 -50.3 -75.8 21.6 -24.6 -0.6 73 73 A G S S+ 0 0 8 -38,-0.2 -38,-0.3 -40,-0.1 -1,-0.2 -0.513 74.9 140.3-165.8 90.1 21.1 -26.0 2.9 74 74 A I + 0 0 64 -3,-0.1 -41,-0.1 -2,-0.1 -40,-0.1 -0.527 21.4 132.6-134.2 67.1 20.5 -29.7 3.6 75 75 A P S S- 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -42,-0.1 0.936 82.2 -79.8 -80.5 -52.2 22.5 -30.5 6.8 76 76 A D S S- 0 0 118 -44,-0.2 2,-0.2 -3,-0.1 -42,-0.2 0.030 93.2 -12.4 179.8 -51.7 19.8 -32.4 8.8 77 77 A N S S+ 0 0 108 -44,-0.1 2,-0.3 -45,-0.1 -44,-0.2 -0.815 70.5 122.6-173.8 130.1 17.4 -30.1 10.5 78 78 A S - 0 0 45 -46,-1.4 2,-0.3 -2,-0.2 -27,-0.1 -0.971 50.6 -82.5-173.2 178.7 17.3 -26.3 11.3 79 79 A I + 0 0 102 -2,-0.3 2,-0.3 -29,-0.1 -47,-0.1 -0.678 39.2 175.4-100.4 155.2 15.3 -23.1 10.9 80 80 A S + 0 0 10 -30,-0.3 -49,-0.3 -2,-0.3 2,-0.3 -0.990 5.3 168.7-155.6 155.8 15.3 -20.8 7.9 81 81 A S E -E 49 0B 34 -32,-2.8 -32,-2.2 -2,-0.3 2,-0.3 -0.981 11.9-160.5-165.3 158.2 13.5 -17.6 6.6 82 82 A F E -E 48 0B 25 -2,-0.3 2,-0.6 -34,-0.2 -54,-0.4 -0.984 19.5-129.9-150.5 135.7 13.7 -14.9 3.9 83 83 A R E -E 47 0B 176 -36,-1.2 -36,-1.1 -2,-0.3 2,-1.1 -0.763 20.9-138.0 -89.7 119.7 12.3 -11.4 3.6 84 84 A Q 0 0 44 -2,-0.6 -38,-0.1 1,-0.2 -60,-0.1 -0.647 360.0 360.0 -79.8 99.6 10.5 -10.9 0.3 85 85 A I 0 0 98 -2,-1.1 -40,-0.6 -40,-0.2 -1,-0.2 0.063 360.0 360.0-127.5 360.0 11.6 -7.4 -0.8