==== 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 2K1W . 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) . 5755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 61.2 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 . 28 32.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 . 19 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.7 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 . 3 0 3 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 0 226 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.3 2.1 -0.0 -1.2 2 2 A N + 0 0 153 1,-0.0 2,-0.0 20,-0.0 3,-0.0 -0.952 360.0 160.8-123.0 113.8 -1.0 0.2 -3.4 3 3 A A + 0 0 107 -2,-0.5 2,-0.3 0, 0.0 -1,-0.0 -0.457 46.3 90.6-128.1 60.0 -1.6 3.2 -5.7 4 4 A A + 0 0 40 -2,-0.0 2,-0.3 18,-0.0 39,-0.1 -0.910 36.6 170.7-157.7 125.7 -4.1 2.0 -8.3 5 5 A E + 0 0 172 -2,-0.3 2,-0.7 37,-0.2 37,-0.6 -0.835 3.0 176.0-141.4 100.1 -7.9 2.1 -8.4 6 6 A V E +AB 21 41A 5 15,-0.8 15,-1.7 -2,-0.3 2,-0.6 -0.858 7.3 174.8-108.8 99.9 -9.7 1.2 -11.6 7 7 A I E +AB 20 40A 61 -2,-0.7 33,-1.1 33,-0.6 2,-0.3 -0.915 10.3 156.1-109.5 117.1 -13.5 1.3 -11.1 8 8 A V E -AB 19 39A 1 11,-1.7 11,-2.6 -2,-0.6 2,-0.4 -0.929 31.1-134.9-136.5 160.0 -15.7 0.7 -14.1 9 9 A Y E -A 18 0A 54 29,-2.4 29,-0.4 -2,-0.3 9,-0.2 -0.950 4.4-154.6-120.2 136.9 -19.2 -0.5 -14.9 10 10 A E S S+ 0 0 13 7,-0.9 2,-0.3 -2,-0.4 25,-0.2 -0.005 81.9 10.2 -95.2 28.6 -20.2 -3.0 -17.6 11 11 A H S S- 0 0 44 6,-0.2 27,-0.8 27,-0.1 5,-0.3 -0.955 105.8 -31.3-176.4-170.1 -23.7 -1.5 -17.7 12 12 A V B > -D 15 0B 26 3,-0.6 3,-1.5 -2,-0.3 26,-0.1 -0.211 57.8-113.1 -62.8 155.1 -26.0 1.3 -16.6 13 13 A N T > S+ 0 0 114 1,-0.3 3,-0.8 2,-0.2 2,-0.5 0.958 118.6 38.4 -53.2 -57.7 -25.4 2.9 -13.2 14 14 A F T 3 S+ 0 0 184 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 -0.188 129.9 33.8 -88.9 42.7 -28.6 1.6 -11.7 15 15 A G B < S+D 12 0B 40 -3,-1.5 -3,-0.6 -2,-0.5 2,-0.3 0.208 99.0 86.3 176.0 37.8 -28.3 -1.7 -13.5 16 16 A G S < S- 0 0 30 -3,-0.8 2,-0.3 -5,-0.3 -1,-0.1 -0.943 70.5-100.1-145.5 166.1 -24.6 -2.7 -13.8 17 17 A K - 0 0 104 -2,-0.3 -7,-0.9 1,-0.0 2,-0.8 -0.643 29.0-131.9 -89.7 145.5 -21.8 -4.4 -12.0 18 18 A S E -A 9 0A 53 -2,-0.3 2,-0.9 -9,-0.2 -9,-0.2 -0.851 18.7-168.4-101.4 107.5 -19.1 -2.5 -10.2 19 19 A F E +A 8 0A 61 -11,-2.6 -11,-1.7 -2,-0.8 2,-0.7 -0.804 12.1 171.9 -98.7 99.1 -15.6 -3.8 -11.1 20 20 A D E +A 7 0A 109 -2,-0.9 2,-0.3 -13,-0.2 -13,-0.2 -0.893 27.4 108.3-112.1 104.5 -13.1 -2.2 -8.7 21 21 A A E -A 6 0A 37 -15,-1.7 -15,-0.8 -2,-0.7 3,-0.1 -0.982 57.7-105.4-165.1 165.3 -9.6 -3.7 -9.0 22 22 A T > - 0 0 59 -2,-0.3 3,-0.9 1,-0.1 2,-0.8 -0.106 64.8 -53.0 -86.8-171.5 -6.0 -2.9 -10.2 23 23 A S T 3 S+ 0 0 91 1,-0.2 -1,-0.1 3,-0.1 60,-0.1 -0.536 109.2 77.3 -69.6 105.8 -4.2 -4.2 -13.2 24 24 A D T 3 + 0 0 147 -2,-0.8 -1,-0.2 1,-0.4 59,-0.0 0.181 67.5 88.6-176.2 -35.8 -4.5 -7.9 -13.1 25 25 A Q S < S- 0 0 23 -3,-0.9 2,-1.6 1,-0.1 -1,-0.4 -0.359 86.7-104.7 -79.7 161.4 -8.0 -8.9 -14.3 26 26 A P - 0 0 91 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.272 52.6-112.9 -81.6 51.4 -9.0 -9.6 -17.9 27 27 A G S S- 0 0 0 -2,-1.6 2,-0.3 54,-0.2 54,-0.1 -0.368 75.5 -23.1 58.2 -98.3 -10.8 -6.2 -18.2 28 28 A A - 0 0 12 -2,-0.9 2,-0.2 52,-0.3 54,-0.0 -0.980 53.1-177.4-145.0 155.6 -14.4 -7.4 -18.7 29 29 A G + 0 0 71 -2,-0.3 2,-0.3 50,-0.1 49,-0.1 -0.725 27.2 122.8-160.1 104.8 -16.2 -10.5 -19.8 30 30 A D - 0 0 49 47,-0.3 2,-0.8 -2,-0.2 50,-0.3 -0.971 54.0-114.2-162.2 146.8 -20.0 -10.9 -20.0 31 31 A N + 0 0 143 -2,-0.3 2,-0.3 47,-0.1 47,-0.2 -0.764 68.8 92.4 -89.4 111.3 -22.6 -11.8 -22.6 32 32 A L B S-E 77 0C 82 -2,-0.8 45,-0.6 45,-0.7 2,-0.2 -0.974 73.4 -67.1-176.4 180.0 -24.9 -8.8 -23.3 33 33 A N - 0 0 64 43,-0.3 2,-2.6 -2,-0.3 43,-0.2 -0.567 49.4-105.6 -88.0 151.7 -25.5 -5.8 -25.5 34 34 A D + 0 0 8 -2,-0.2 3,-0.1 16,-0.1 38,-0.1 -0.408 64.3 156.8 -74.9 68.7 -23.3 -2.7 -25.5 35 35 A K - 0 0 99 -2,-2.6 35,-0.1 1,-0.2 41,-0.1 -0.134 53.1 -41.4 -84.3-175.5 -25.7 -0.6 -23.6 36 36 A I - 0 0 47 33,-0.1 2,-0.3 31,-0.1 -1,-0.2 -0.195 66.7-170.6 -49.8 131.5 -25.0 2.5 -21.5 37 37 A S - 0 0 15 31,-0.9 2,-0.6 -3,-0.1 -25,-0.2 -0.933 21.3-136.8-129.7 152.9 -21.9 2.0 -19.4 38 38 A S + 0 0 20 -27,-0.8 -29,-2.4 -29,-0.4 2,-0.7 -0.896 23.5 176.7-113.8 104.3 -20.2 4.0 -16.6 39 39 A I E +BC 8 66A 4 27,-1.9 27,-1.7 -2,-0.6 2,-0.4 -0.900 9.0 159.8-111.5 107.4 -16.4 4.3 -16.9 40 40 A K E +BC 7 65A 100 -33,-1.1 -33,-0.6 -2,-0.7 2,-0.3 -0.870 18.2 131.5-130.8 99.6 -14.8 6.4 -14.2 41 41 A V E -BC 6 64A 3 23,-0.9 23,-0.9 -2,-0.4 2,-0.3 -0.992 36.0-159.2-147.2 152.0 -11.0 5.9 -13.7 42 42 A K + 0 0 129 -37,-0.6 -37,-0.2 -2,-0.3 2,-0.2 -0.753 49.8 106.0-136.2 88.3 -7.9 8.0 -13.4 43 43 A S S S- 0 0 33 1,-0.4 42,-0.3 -2,-0.3 21,-0.1 -0.615 83.5 -66.4-166.7 98.7 -4.6 6.2 -14.2 44 44 A G S S- 0 0 47 -2,-0.2 -1,-0.4 40,-0.1 2,-0.3 -0.228 89.8 -37.7 55.5-139.3 -2.6 6.7 -17.3 45 45 A T - 0 0 70 40,-0.9 40,-2.6 17,-0.1 2,-0.4 -0.906 52.1-162.2-122.8 150.4 -4.3 5.5 -20.5 46 46 A W E -FG 61 84D 1 15,-2.0 15,-1.8 -2,-0.3 2,-0.6 -0.980 15.1-134.4-133.3 144.6 -6.6 2.5 -21.2 47 47 A R E -FG 60 83D 116 36,-1.9 36,-1.1 -2,-0.4 2,-0.4 -0.871 20.8-164.9-102.2 118.6 -7.6 0.7 -24.4 48 48 A F E +FG 59 82D 4 11,-2.6 11,-1.9 -2,-0.6 2,-0.3 -0.860 18.0 155.6-105.5 134.9 -11.3 -0.1 -24.8 49 49 A Y E - G 0 81D 25 32,-1.3 32,-2.7 -2,-0.4 2,-1.4 -0.913 38.2-142.9-160.2 129.0 -12.6 -2.5 -27.4 50 50 A E S S+ 0 0 17 7,-0.4 30,-0.3 -2,-0.3 2,-0.3 -0.509 80.8 38.6 -91.9 66.8 -15.7 -4.7 -27.6 51 51 A Y S S- 0 0 126 -2,-1.4 5,-0.2 28,-0.4 -2,-0.1 -0.968 99.4 -32.7 178.6-169.9 -14.1 -7.7 -29.3 52 52 A I B > -H 55 0E 54 3,-0.6 3,-0.6 -2,-0.3 29,-0.1 0.077 60.8-104.3 -58.4 177.4 -11.0 -9.9 -29.5 53 53 A N T 3 S+ 0 0 130 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.189 119.0 35.3 -91.8 16.2 -7.5 -8.6 -28.8 54 54 A Y T 3 S+ 0 0 198 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.041 121.7 34.8-159.4 40.0 -6.8 -8.6 -32.6 55 55 A G B < S+H 52 0E 43 -3,-0.6 -3,-0.6 -4,-0.0 2,-0.3 0.088 88.2 83.7 166.7 66.9 -10.0 -7.7 -34.4 56 56 A G S S- 0 0 41 -5,-0.2 2,-1.0 -3,-0.1 -5,-0.1 -0.918 82.6 -55.5-160.2-175.5 -12.3 -5.2 -32.8 57 57 A R - 0 0 73 -2,-0.3 2,-0.4 -7,-0.1 -7,-0.4 -0.646 52.3-152.8 -78.8 103.8 -13.2 -1.6 -32.3 58 58 A Y + 0 0 144 -2,-1.0 2,-0.3 -9,-0.1 -9,-0.2 -0.646 26.7 158.1 -81.2 127.6 -10.1 0.0 -30.8 59 59 A W E +F 48 0D 72 -11,-1.9 -11,-2.6 -2,-0.4 2,-0.2 -0.774 11.3 179.1-154.6 103.4 -10.8 3.1 -28.6 60 60 A D E +F 47 0D 72 -13,-0.3 2,-0.3 -2,-0.3 -13,-0.2 -0.668 3.7 175.2-104.0 160.1 -8.4 4.3 -25.9 61 61 A L E -F 46 0D 40 -15,-1.8 -15,-2.0 -2,-0.2 3,-0.1 -0.986 24.4-114.7-158.4 160.2 -8.7 7.3 -23.6 62 62 A G - 0 0 28 -2,-0.3 2,-0.9 -17,-0.2 -21,-0.2 0.043 64.0 -45.3 -84.2-163.6 -7.0 9.1 -20.7 63 63 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.551 89.7 114.3 -71.1 103.6 -8.1 9.6 -17.1 64 64 A G E -C 41 0A 21 -23,-0.9 -23,-0.9 -2,-0.9 2,-0.4 -0.986 56.9-119.1-166.3 159.5 -11.7 10.7 -17.3 65 65 A E E +C 40 0A 122 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.2 -0.849 36.0 154.9-109.2 143.6 -15.3 9.8 -16.4 66 66 A Y E -C 39 0A 50 -27,-1.7 -27,-1.9 -2,-0.4 -2,-0.0 -0.986 25.6-172.2-160.1 160.4 -18.1 9.3 -18.9 67 67 A S + 0 0 68 -2,-0.3 -29,-0.1 -29,-0.2 -54,-0.1 -0.343 26.6 159.4-158.5 66.2 -21.5 7.6 -19.4 68 68 A S - 0 0 50 -31,-0.1 -31,-0.9 1,-0.1 -2,-0.1 -0.267 24.3-170.4 -85.4 175.4 -22.8 7.9 -22.9 69 69 A V S S+ 0 0 73 -33,-0.2 -33,-0.1 -2,-0.1 -1,-0.1 0.138 84.1 32.2-153.4 19.5 -25.4 5.8 -24.6 70 70 A E S S+ 0 0 173 -35,-0.1 4,-0.1 3,-0.1 -35,-0.0 0.118 110.6 56.7-168.1 28.7 -25.3 6.9 -28.3 71 71 A S S S+ 0 0 104 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.122 95.0 60.8-152.6 20.2 -21.7 8.0 -29.0 72 72 A A S S- 0 0 26 -38,-0.1 -4,-0.0 0, 0.0 0, 0.0 0.081 111.5 -93.1-138.0 21.5 -19.7 4.9 -28.1 73 73 A G - 0 0 41 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.789 29.9-149.1 65.9 116.1 -21.1 2.4 -30.6 74 74 A I + 0 0 80 1,-0.1 -1,-0.2 -4,-0.1 3,-0.1 -0.572 52.7 122.8-116.7 67.5 -23.9 0.1 -29.4 75 75 A P S S- 0 0 91 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.933 80.3 -45.2 -88.6 -60.4 -23.4 -3.1 -31.4 76 76 A D - 0 0 89 -43,-0.2 2,-2.5 -3,-0.2 -43,-0.3 -0.718 36.9-128.7-179.8 125.6 -23.0 -5.8 -28.7 77 77 A N B +E 32 0C 6 -45,-0.6 -45,-0.7 -2,-0.2 2,-0.4 -0.331 65.1 133.2 -77.4 59.2 -21.1 -6.2 -25.4 78 78 A S S S- 0 0 51 -2,-2.5 -47,-0.1 -28,-0.3 3,-0.1 -0.902 70.2 -2.6-115.3 141.9 -19.6 -9.5 -26.5 79 79 A I S S+ 0 0 98 -2,-0.4 -28,-0.4 1,-0.2 -1,-0.2 0.833 90.8 166.6 50.3 35.2 -16.0 -10.6 -26.2 80 80 A S + 0 0 5 -50,-0.3 -52,-0.3 -30,-0.3 2,-0.3 -0.510 9.2 169.3 -81.9 149.6 -15.3 -7.1 -24.8 81 81 A S E -G 49 0D 37 -32,-2.7 -32,-1.3 -2,-0.2 2,-0.3 -0.979 13.8-175.9-160.1 147.0 -12.0 -6.4 -23.1 82 82 A F E -G 48 0D 3 -2,-0.3 2,-0.4 -34,-0.2 -34,-0.2 -0.967 8.8-157.8-151.0 130.7 -10.0 -3.4 -21.8 83 83 A R E -G 47 0D 134 -36,-1.1 -36,-1.9 -2,-0.3 2,-0.4 -0.917 12.1-143.4-113.0 134.4 -6.6 -3.0 -20.3 84 84 A Q E G 46 0D 24 -2,-0.4 -38,-0.2 -38,-0.2 -40,-0.1 -0.805 360.0 360.0 -98.5 133.6 -5.5 -0.1 -18.1 85 85 A I 0 0 111 -40,-2.6 -40,-0.9 -2,-0.4 -42,-0.0 -0.852 360.0 360.0-103.4 360.0 -1.9 1.3 -18.3