==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 23-JUN-09 3HZ2 . COMPND 2 MOLECULE: BETA/GAMA CRYSTALLIN FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR P.ARAVIND,R.SANKARANARAYANAN . 336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 65.5 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 . 128 38.1 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 . 8 2.4 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 . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 4 0 4 4 12 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 0 8 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 N 0 0 200 0, 0.0 3,-0.1 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 17.0 -9.0 -14.0 8.6 2 2 A A - 0 0 83 1,-0.1 0, 0.0 40,-0.0 0, 0.0 -0.215 360.0 -84.6 -53.9 142.5 -7.5 -10.9 10.2 3 3 A A + 0 0 9 18,-0.1 2,-0.3 38,-0.1 40,-0.2 -0.188 59.3 170.2 -52.2 136.2 -6.9 -8.0 7.7 4 4 A E E +A 42 0A 53 38,-1.9 38,-1.8 -3,-0.1 37,-1.3 -0.986 14.0 179.4-153.5 140.7 -3.6 -8.3 5.9 5 5 A V E -AB 40 20A 0 15,-2.4 15,-3.1 -2,-0.3 2,-0.5 -0.999 13.2-154.3-144.4 139.6 -2.0 -6.6 3.0 6 6 A I E -AB 39 19A 24 33,-2.6 33,-2.7 -2,-0.3 2,-0.3 -0.970 13.0-163.0-116.6 126.9 1.4 -7.0 1.3 7 7 A V E -AB 38 18A 0 11,-2.1 11,-1.9 -2,-0.5 2,-0.4 -0.844 5.7-155.7-109.2 146.6 2.9 -4.1 -0.6 8 8 A Y E -AB 37 17A 24 29,-2.6 28,-2.8 -2,-0.3 29,-1.3 -0.946 21.3-137.6-128.5 147.9 5.7 -4.3 -3.1 9 9 A E E S+ 0 0 56 7,-2.7 6,-0.2 5,-0.4 2,-0.2 0.913 88.8 38.1 -64.3 -47.4 8.4 -2.0 -4.5 10 10 A H E >> S- B 0 14A 97 4,-3.0 4,-0.9 6,-0.2 3,-0.5 -0.663 94.1 -93.0-107.7 164.1 8.1 -3.0 -8.1 11 11 A V G >4 S+ 0 0 75 1,-0.2 3,-0.7 -2,-0.2 56,-0.2 -0.249 110.3 37.3 -64.5 162.2 5.2 -3.9 -10.4 12 12 A N G 34 S- 0 0 121 54,-2.8 -1,-0.2 24,-0.2 54,-0.1 0.824 136.3 -69.0 59.3 33.0 4.3 -7.6 -10.5 13 13 A F G <4 S+ 0 0 53 -3,-0.5 -1,-0.2 53,-0.3 -2,-0.2 0.799 94.1 143.9 59.2 38.6 5.2 -8.0 -6.9 14 14 A G E << +B 10 0A 24 -4,-0.9 -4,-3.0 -3,-0.7 -5,-0.4 -0.462 36.4 19.7-102.6 174.6 8.9 -7.4 -7.2 15 15 A G E S+ 0 0 45 -6,-0.2 2,-0.0 -7,-0.1 0, 0.0 -0.220 108.1 1.6 70.8-159.2 11.6 -5.7 -5.0 16 16 A K E S- 0 0 77 -8,-0.1 -7,-2.7 14,-0.1 2,-0.3 -0.338 72.1-169.2 -61.5 140.7 11.3 -4.9 -1.4 17 17 A S E -B 8 0A 58 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.2 -0.928 13.9-158.9-133.3 159.2 8.1 -6.1 0.2 18 18 A F E -B 7 0A 51 -11,-1.9 -11,-2.1 -2,-0.3 2,-0.8 -0.977 9.7-149.1-142.2 125.2 6.3 -5.5 3.5 19 19 A D E -B 6 0A 78 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.842 23.0-166.6 -96.4 109.8 3.6 -7.7 5.0 20 20 A A E +B 5 0A 1 -15,-3.1 -15,-2.4 -2,-0.8 3,-0.1 -0.841 31.0 160.4-105.6 132.7 1.2 -5.5 7.1 21 21 A T S S+ 0 0 92 -2,-0.4 2,-0.3 -17,-0.2 -1,-0.1 0.256 74.8 45.6-122.9 2.7 -1.3 -6.7 9.6 22 22 A S S S- 0 0 67 -17,-0.1 -17,-0.1 60,-0.0 -1,-0.0 -0.912 101.7 -70.9-140.6 165.8 -1.6 -3.4 11.3 23 23 A D - 0 0 74 -2,-0.3 59,-0.2 1,-0.1 -2,-0.1 -0.249 38.1-154.0 -62.9 145.2 -1.9 0.3 10.2 24 24 A Q B > +D 81 0B 31 57,-3.3 57,-2.5 1,-0.1 3,-1.3 -0.835 17.0 178.9-125.8 94.5 1.1 2.0 8.6 25 25 A P T 3 S+ 0 0 59 0, 0.0 27,-2.8 0, 0.0 28,-0.2 0.570 93.0 39.2 -70.5 -5.4 1.3 5.8 9.0 26 26 A G T 3 S- 0 0 32 25,-0.2 5,-0.2 55,-0.1 54,-0.2 0.256 117.9-106.2-124.7 8.7 4.6 5.7 7.0 27 27 A A < - 0 0 0 -3,-1.3 2,-0.2 54,-0.2 53,-0.2 0.638 66.5 -79.9 74.8 17.4 3.7 3.0 4.4 28 28 A G S S- 0 0 20 51,-0.1 2,-1.0 2,-0.1 3,-0.3 -0.532 88.7 -3.8 97.6-162.1 5.8 0.3 6.1 29 29 A D S S- 0 0 82 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 -0.626 124.5 -40.0 -79.0 100.2 9.6 -0.5 6.1 30 30 A N S S+ 0 0 99 -2,-1.0 -1,-0.2 1,-0.1 -14,-0.1 0.806 107.2 115.7 51.7 37.0 11.3 1.9 3.7 31 31 A L >> + 0 0 0 -3,-0.3 3,-1.4 -5,-0.2 4,-0.9 0.171 30.1 135.1-118.0 16.0 8.5 1.7 1.1 32 32 A N T 34 S+ 0 0 37 1,-0.3 47,-0.2 -4,-0.2 -5,-0.1 -0.507 84.0 0.9 -68.4 129.3 7.4 5.3 1.3 33 33 A D T 34 S+ 0 0 71 45,-2.7 -1,-0.3 -2,-0.3 46,-0.1 0.834 119.9 83.0 60.8 36.3 6.9 6.6 -2.3 34 34 A K T <4 + 0 0 82 -3,-1.4 42,-0.2 44,-0.4 -2,-0.2 0.498 48.7 122.9-138.0 -21.2 7.9 3.3 -3.8 35 35 A I < + 0 0 0 -4,-0.9 41,-1.2 43,-0.4 42,-0.5 -0.283 18.3 156.6 -58.1 125.7 4.8 1.0 -3.8 36 36 A S + 0 0 5 -28,-2.8 32,-2.2 1,-0.3 2,-0.3 0.496 62.5 29.5-124.9 -14.9 3.9 -0.3 -7.2 37 37 A S E -A 8 0A 0 -29,-1.3 -29,-2.6 30,-0.2 2,-0.3 -0.986 64.1-167.1-146.7 152.3 2.0 -3.5 -6.6 38 38 A I E -AC 7 65A 0 27,-2.0 27,-3.1 -2,-0.3 2,-0.5 -0.995 14.1-159.6-144.9 148.4 -0.2 -4.7 -3.8 39 39 A K E -AC 6 64A 47 -33,-2.7 -33,-2.6 -2,-0.3 2,-1.0 -0.939 8.6-161.6-129.4 107.5 -1.9 -7.9 -2.5 40 40 A V E +AC 5 63A 6 23,-2.7 23,-1.9 -2,-0.5 -35,-0.2 -0.791 10.8 179.1 -91.0 102.1 -4.8 -7.5 -0.2 41 41 A K E - 0 0 112 -37,-1.3 2,-0.3 -2,-1.0 -1,-0.2 0.871 66.7 -14.5 -69.4 -39.3 -5.1 -10.9 1.5 42 42 A S E S+A 4 0A 23 -38,-1.8 -38,-1.9 -3,-0.2 -1,-0.3 -0.979 106.0 26.8-163.8 153.0 -8.0 -9.9 3.6 43 43 A G S S- 0 0 29 -2,-0.3 2,-0.5 -40,-0.2 -39,-0.1 -0.104 83.8 -75.6 81.2 174.3 -9.9 -6.8 4.8 44 44 A T - 0 0 55 40,-0.7 40,-2.3 17,-0.2 2,-0.4 -0.945 46.7-161.7-113.0 132.9 -10.3 -3.5 3.0 45 45 A W E -EF 60 83B 0 15,-2.6 15,-3.1 -2,-0.5 2,-0.5 -0.927 9.9-146.7-121.0 142.7 -7.3 -1.1 3.1 46 46 A R E -EF 59 82B 54 36,-3.1 36,-2.0 -2,-0.4 2,-0.5 -0.904 12.2-157.6-107.3 128.2 -7.1 2.6 2.5 47 47 A F E -EF 58 81B 0 11,-2.8 11,-1.8 -2,-0.5 2,-0.3 -0.914 7.1-160.2-110.3 128.9 -3.9 4.1 0.9 48 48 A Y E -EF 57 80B 16 32,-3.1 31,-2.8 -2,-0.5 32,-1.1 -0.776 21.1-138.1-107.1 150.1 -3.0 7.7 1.3 49 49 A E E S+ 0 0 17 7,-2.1 2,-0.3 5,-0.4 6,-0.2 0.655 88.3 48.9 -81.1 -13.2 -0.7 9.8 -0.8 50 50 A Y E > S-E 54 0B 124 4,-2.2 4,-1.3 6,-0.3 3,-0.5 -0.893 93.7 -97.2-124.9 156.7 0.9 11.5 2.2 51 51 A I T >4 S+ 0 0 31 -2,-0.3 3,-0.5 1,-0.2 -25,-0.2 -0.178 106.8 33.4 -63.6 164.6 2.3 10.2 5.5 52 52 A N T 34 S- 0 0 110 -27,-2.8 -1,-0.2 27,-0.3 -26,-0.1 0.857 137.4 -64.7 55.1 37.9 0.1 10.2 8.5 53 53 A Y T 34 S+ 0 0 52 -3,-0.5 2,-0.2 -28,-0.2 -1,-0.2 0.889 93.1 153.0 54.5 49.3 -2.9 9.5 6.3 54 54 A G E << +E 50 0B 22 -4,-1.3 -4,-2.2 -3,-0.5 -5,-0.4 -0.691 36.8 7.9-107.9 161.2 -2.8 12.8 4.5 55 55 A G E S- 0 0 42 -2,-0.2 -5,-0.0 -6,-0.2 0, 0.0 -0.237 105.1 -8.1 74.2-161.6 -3.9 13.8 1.0 56 56 A R E - 0 0 80 -8,-0.1 -7,-2.1 1,-0.0 2,-0.3 -0.262 67.1-159.7 -68.5 156.8 -6.0 11.8 -1.5 57 57 A Y E -E 48 0B 120 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.2 -0.934 14.6-155.1-140.4 162.9 -6.8 8.2 -0.8 58 58 A W E -E 47 0B 49 -11,-1.8 -11,-2.8 -2,-0.3 2,-0.6 -0.999 14.5-142.4-139.4 133.2 -7.9 5.0 -2.5 59 59 A D E -E 46 0B 74 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.870 17.5-170.9-103.2 123.6 -9.7 2.0 -1.0 60 60 A L E -E 45 0B 9 -15,-3.1 -15,-2.6 -2,-0.6 3,-0.1 -0.946 3.7-160.6-117.9 128.7 -8.8 -1.5 -2.1 61 61 A G - 0 0 24 -2,-0.5 -21,-0.3 -17,-0.2 -17,-0.2 -0.331 50.0 -45.4 -93.6-179.7 -10.6 -4.7 -1.2 62 62 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.140 96.1 75.4 -48.2 132.4 -9.4 -8.3 -1.3 63 63 A G E S-C 40 0A 32 -23,-1.9 -23,-2.7 -3,-0.1 2,-0.4 -0.874 76.3 -78.0 149.5 179.3 -7.5 -9.1 -4.5 64 64 A E E -C 39 0A 110 -2,-0.3 2,-0.5 -25,-0.2 -25,-0.2 -0.922 24.0-166.8-119.5 142.1 -4.3 -8.6 -6.3 65 65 A Y E -C 38 0A 41 -27,-3.1 -27,-2.0 -2,-0.4 -52,-0.2 -0.851 4.3-173.0-128.4 93.6 -3.0 -5.5 -8.1 66 66 A S S S+ 0 0 55 -2,-0.5 -54,-2.8 -29,-0.2 2,-0.3 0.698 86.7 27.2 -58.3 -20.6 0.0 -6.2 -10.2 67 67 A S S > S- 0 0 31 -56,-0.2 3,-2.0 -55,-0.1 4,-0.4 -0.968 74.2-142.8-143.8 124.5 0.2 -2.5 -10.9 68 68 A V G > >S+ 0 0 0 -32,-2.2 5,-2.1 -2,-0.3 3,-2.0 0.821 100.7 68.4 -57.8 -29.4 -1.2 0.1 -8.4 69 69 A E G > 5S+ 0 0 103 -33,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.767 88.4 63.9 -62.6 -22.2 -2.3 2.2 -11.4 70 70 A S G < 5S+ 0 0 73 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.722 102.8 50.5 -71.5 -19.2 -4.9 -0.6 -12.1 71 71 A A G < 5S- 0 0 4 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.218 126.8-106.0 -99.0 11.3 -6.3 0.5 -8.7 72 72 A G T < 5S+ 0 0 9 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.568 79.7 133.8 75.9 9.6 -6.3 4.1 -9.9 73 73 A I < - 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0 0 83 1,-0.1 41,-0.0 41,-0.0 0, 0.0 -0.272 360.0 -90.8 -57.8 139.8 7.3 32.0 20.1 88 3 B A + 0 0 8 18,-0.1 2,-0.3 38,-0.1 40,-0.2 -0.204 55.4 171.8 -54.3 139.0 7.8 29.4 17.3 89 4 B E E +G 127 0C 57 38,-1.8 38,-1.8 -3,-0.1 37,-1.4 -0.985 13.5 177.6-154.4 141.3 11.1 27.5 17.6 90 5 B V E -GH 125 105C 0 15,-2.4 15,-3.3 -2,-0.3 2,-0.5 -0.997 14.2-153.1-145.7 142.2 12.7 24.6 15.8 91 6 B I E -GH 124 104C 27 33,-2.5 33,-2.6 -2,-0.3 2,-0.4 -0.978 12.4-161.9-118.9 127.9 16.1 22.9 16.2 92 7 B V E -GH 123 103C 0 11,-2.1 11,-1.8 -2,-0.5 2,-0.4 -0.853 6.6-156.1-109.4 145.5 17.6 21.0 13.2 93 8 B Y E -GH 122 102C 22 29,-2.6 28,-2.8 -2,-0.4 29,-1.3 -0.944 21.3-138.7-127.9 147.5 20.4 18.5 13.5 94 9 B E E S+ 0 0 57 7,-2.5 6,-0.2 5,-0.4 2,-0.2 0.901 88.0 40.6 -65.3 -45.5 23.0 17.1 11.2 95 10 B H E >> S- H 0 99C 92 4,-3.0 4,-0.9 6,-0.2 3,-0.5 -0.678 93.7 -94.2-107.9 162.1 22.7 13.5 12.3 96 11 B V G >4 S+ 0 0 75 1,-0.2 3,-0.7 -2,-0.2 56,-0.2 -0.254 110.7 36.8 -63.0 161.0 19.8 11.2 13.1 97 12 B N G 34 S- 0 0 116 54,-2.9 -1,-0.2 24,-0.2 54,-0.1 0.837 136.2 -69.5 59.7 34.0 19.0 11.1 16.8 98 13 B F G <4 S+ 0 0 52 -3,-0.5 -1,-0.2 53,-0.3 -2,-0.2 0.810 93.9 144.6 57.3 39.5 19.8 14.7 17.2 99 14 B G E << +H 95 0C 25 -4,-0.9 -4,-3.0 -3,-0.7 -5,-0.4 -0.475 36.6 19.1-102.8 174.2 23.6 14.4 16.6 100 15 B G E S+ 0 0 47 -6,-0.2 2,-0.1 -2,-0.2 0, 0.0 -0.257 108.2 2.3 71.6-157.3 26.2 16.5 15.0 101 16 B K E S- 0 0 75 14,-0.1 -7,-2.5 -8,-0.1 2,-0.3 -0.373 71.5-169.4 -64.2 139.6 25.9 20.2 14.2 102 17 B S E -H 93 0C 57 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.2 -0.922 14.3-158.5-132.8 159.3 22.7 21.8 15.3 103 18 B F E -H 92 0C 48 -11,-1.8 -11,-2.1 -2,-0.3 2,-0.7 -0.984 10.4-148.1-141.3 126.8 20.9 25.1 14.8 104 19 B D E -H 91 0C 79 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.853 23.9-166.4 -95.8 111.4 18.3 26.7 17.0 105 20 B A E +H 90 0C 0 -15,-3.3 -15,-2.4 -2,-0.7 3,-0.1 -0.869 31.3 159.4-108.4 131.5 15.9 28.6 14.8 106 21 B T S S+ 0 0 89 -2,-0.5 2,-0.3 -17,-0.2 -1,-0.1 0.231 74.4 44.3-123.7 5.6 13.3 31.2 15.9 107 22 B S S S- 0 0 67 -17,-0.1 -17,-0.1 60,-0.0 -1,-0.0 -0.930 101.8 -69.7-144.1 164.8 13.1 32.9 12.6 108 23 B D - 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