==== 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 14-JUL-09 3IAJ . COMPND 2 MOLECULE: BETA AND GAMMA CRYSTALLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BEIJERINCKII; . AUTHOR P.ARAVIND,R.SANKARANARAYANAN . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 62.1 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 . 30 34.5 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 2.3 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 . 1 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 . 6 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 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 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 . 1 0 2 0 3 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 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 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 K 0 0 182 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.3 57.6 -12.7 22.7 2 2 A A - 0 0 23 17,-0.1 2,-0.4 2,-0.0 17,-0.2 -0.984 360.0 -85.6-170.0 166.7 58.3 -10.2 20.0 3 3 A V E -A 18 0A 0 15,-2.2 15,-2.9 -2,-0.3 2,-0.5 -0.685 39.4-157.3 -84.1 135.7 57.9 -6.6 18.8 4 4 A T E -AB 17 42A 21 38,-1.8 38,-2.2 -2,-0.4 2,-0.4 -0.973 1.3-157.9-119.8 123.4 54.7 -6.0 16.9 5 5 A F E -AB 16 41A 0 11,-3.0 11,-2.1 -2,-0.5 2,-0.4 -0.796 11.0-156.3 -98.1 140.6 54.4 -3.1 14.5 6 6 A Y E -AB 15 40A 29 34,-3.3 33,-2.4 -2,-0.4 34,-1.4 -0.917 19.4-142.1-121.8 147.9 50.9 -1.8 13.6 7 7 A E E S+ 0 0 69 7,-2.7 2,-0.2 -2,-0.4 6,-0.2 0.868 83.2 41.2 -71.1 -40.8 49.6 0.1 10.6 8 8 A D E >> S-A 12 0A 77 4,-3.3 4,-1.1 6,-0.2 3,-0.6 -0.679 95.6 -80.3-113.4 166.4 47.2 2.4 12.5 9 9 A I G >4 S+ 0 0 97 1,-0.2 3,-0.5 -2,-0.2 61,-0.2 -0.187 111.2 22.1 -58.4 150.5 47.1 4.4 15.7 10 10 A N G 34 S- 0 0 108 59,-3.5 -1,-0.2 1,-0.2 60,-0.1 0.867 136.8 -59.5 57.2 42.8 46.4 2.5 19.0 11 11 A Y G <4 S+ 0 0 57 -3,-0.6 -1,-0.2 57,-0.3 -2,-0.2 0.825 97.7 145.7 59.5 37.8 47.5 -0.9 17.5 12 12 A G E << +A 8 0A 25 -4,-1.1 -4,-3.3 -3,-0.5 -5,-0.3 -0.567 38.2 16.3-102.5 168.1 44.9 -0.9 14.7 13 13 A G E S- 0 0 52 -6,-0.2 2,-0.0 -2,-0.2 0, 0.0 -0.288 108.0 -2.8 75.3-159.3 45.0 -2.2 11.2 14 14 A A E - 0 0 53 -8,-0.1 -7,-2.7 -2,-0.0 2,-0.3 -0.329 68.9-164.8 -67.0 148.9 47.5 -4.7 9.8 15 15 A S E -A 6 0A 62 -9,-0.2 2,-0.3 -8,-0.1 -9,-0.2 -0.953 13.7-168.2-137.0 156.6 50.3 -5.8 12.0 16 16 A V E -A 5 0A 25 -11,-2.1 -11,-3.0 -2,-0.3 2,-0.4 -0.974 12.1-147.8-147.0 128.6 53.7 -7.6 11.8 17 17 A S E -A 4 0A 69 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.3 -0.774 15.4-172.3-100.9 142.7 55.8 -9.1 14.5 18 18 A L E -A 3 0A 17 -15,-2.9 -15,-2.2 -2,-0.4 3,-0.1 -0.981 17.1-135.1-135.9 146.9 59.6 -9.2 14.4 19 19 A Q - 0 0 104 -2,-0.3 65,-0.1 1,-0.2 -17,-0.1 -0.374 55.4 -61.8 -87.5 170.8 62.3 -10.8 16.5 20 20 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.205 86.4 98.8 -54.0 144.3 65.5 -8.9 17.6 21 21 A G E S-D 84 0B 22 63,-1.6 63,-3.2 -3,-0.1 2,-0.6 -0.939 73.5 -83.4 160.1 179.4 67.7 -7.8 14.7 22 22 A N E -D 83 0B 83 -2,-0.3 2,-0.5 61,-0.2 61,-0.2 -0.919 45.3-168.0-119.0 103.3 68.7 -5.0 12.3 23 23 A Y E -D 82 0B 44 59,-2.8 59,-2.4 -2,-0.6 34,-0.2 -0.819 6.7-156.3-103.4 127.9 66.2 -4.7 9.4 24 24 A T > - 0 0 25 -2,-0.5 4,-2.3 57,-0.2 5,-0.2 -0.330 40.1 -94.8 -86.0 174.0 66.7 -2.7 6.3 25 25 A L H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 126.2 51.9 -56.4 -47.3 63.8 -1.4 4.1 26 26 A S H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 111.1 47.0 -57.1 -44.7 64.1 -4.4 1.8 27 27 A Q H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.847 110.3 52.1 -68.8 -34.2 63.9 -6.8 4.7 28 28 A L H <>S+ 0 0 1 -4,-2.3 5,-3.0 52,-0.2 -2,-0.2 0.938 110.0 49.9 -66.2 -45.0 60.9 -5.0 6.2 29 29 A N H ><5S+ 0 0 76 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.912 108.2 52.3 -58.4 -44.5 59.1 -5.2 2.9 30 30 A T H 3<5S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.867 106.3 54.3 -59.9 -36.5 59.9 -8.9 2.7 31 31 A A T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.290 128.2-103.5 -80.3 10.1 58.3 -9.3 6.1 32 32 A K T < 5S+ 0 0 173 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.732 80.3 133.7 75.1 25.0 55.3 -7.6 4.7 33 33 A I < - 0 0 1 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.926 45.6-146.6-108.6 111.7 55.9 -4.2 6.3 34 34 A P - 0 0 57 0, 0.0 3,-0.3 0, 0.0 4,-0.3 -0.223 26.0 -94.9 -70.4 164.7 55.5 -1.3 3.7 35 35 A N S S+ 0 0 59 1,-0.2 45,-0.2 2,-0.1 44,-0.1 -0.503 104.3 12.0 -79.8 152.2 57.6 1.9 3.8 36 36 A D S S+ 0 0 80 43,-1.1 -1,-0.2 -2,-0.2 42,-0.1 0.944 101.5 103.0 42.6 75.9 56.2 4.9 5.6 37 37 A W + 0 0 26 -3,-0.3 2,-0.3 42,-0.2 -2,-0.1 0.431 37.8 107.7-153.7 -30.9 53.4 2.9 7.3 38 38 A M + 0 0 2 -4,-0.3 39,-1.9 41,-0.2 40,-0.5 -0.476 25.9 157.9 -70.0 123.8 54.2 2.2 10.9 39 39 A T + 0 0 7 -33,-2.4 32,-2.3 1,-0.4 2,-0.3 0.649 63.7 8.8-115.8 -28.6 52.1 4.2 13.4 40 40 A S E -B 6 0A 0 -34,-1.4 -34,-3.3 30,-0.2 -1,-0.4 -0.983 59.5-174.0-152.1 160.9 52.2 2.2 16.6 41 41 A L E -BC 5 68A 0 27,-2.0 27,-3.5 -2,-0.3 2,-0.4 -0.996 21.6-130.1-158.5 153.2 54.0 -0.8 18.2 42 42 A K E -B 4 0A 79 -38,-2.2 -38,-1.8 -2,-0.3 25,-0.1 -0.890 24.6-165.6-107.0 134.4 54.1 -3.1 21.2 43 43 A V - 0 0 8 -2,-0.4 24,-0.4 -40,-0.2 -40,-0.1 -0.975 20.8-121.8-127.0 124.8 57.5 -3.7 22.9 44 44 A P > - 0 0 21 0, 0.0 3,-2.0 0, 0.0 2,-0.1 -0.273 45.2 -93.1 -59.1 145.1 58.4 -6.4 25.4 45 45 A S T 3 S+ 0 0 107 1,-0.3 21,-0.1 3,-0.0 3,-0.1 -0.398 114.4 26.1 -62.3 131.6 59.7 -5.0 28.7 46 46 A G T 3 S+ 0 0 54 19,-0.4 -1,-0.3 1,-0.4 2,-0.2 0.265 100.0 109.8 99.1 -12.1 63.5 -4.8 28.6 47 47 A W < - 0 0 18 -3,-2.0 -1,-0.4 40,-0.3 2,-0.4 -0.560 54.7-147.6 -94.5 160.9 63.6 -4.5 24.8 48 48 A T E -E 85 0B 32 37,-2.0 37,-2.6 -2,-0.2 2,-0.5 -0.994 5.4-162.1-131.3 136.4 64.7 -1.5 22.8 49 49 A V E -EF 84 64B 0 15,-2.4 15,-2.3 -2,-0.4 2,-0.7 -0.952 1.2-168.0-123.7 115.2 63.4 -0.4 19.4 50 50 A D E -EF 83 63B 17 33,-3.0 33,-2.5 -2,-0.5 2,-0.5 -0.881 8.2-165.7-104.2 108.5 65.3 2.1 17.3 51 51 A V E -EF 82 62B 0 11,-3.2 11,-2.9 -2,-0.7 2,-0.4 -0.818 7.0-156.4 -95.4 125.7 63.1 3.3 14.3 52 52 A Y E -EF 81 61B 24 29,-2.8 28,-2.6 -2,-0.5 29,-1.2 -0.852 17.4-144.5-107.6 140.4 65.1 5.1 11.6 53 53 A E E S+ 0 0 59 7,-2.4 2,-0.2 -2,-0.4 6,-0.2 0.806 85.6 38.9 -68.8 -31.7 63.6 7.6 9.2 54 54 A N E > S- F 0 58B 70 4,-2.1 4,-0.6 6,-0.2 3,-0.5 -0.634 96.9 -81.4-115.6 175.5 65.9 6.5 6.3 55 55 A D T 4 S+ 0 0 53 1,-0.2 3,-0.3 -2,-0.2 26,-0.2 -0.273 104.8 28.3 -73.3 161.3 67.3 3.2 5.1 56 56 A N T 4 S- 0 0 97 24,-0.2 -1,-0.2 1,-0.2 -32,-0.1 0.859 130.6 -65.1 56.3 40.9 70.3 1.4 6.6 57 57 A F T 4 S+ 0 0 49 -3,-0.5 2,-0.3 -34,-0.2 -1,-0.2 0.904 103.2 119.5 51.5 53.5 69.7 2.9 10.0 58 58 A T E < +F 54 0B 78 -4,-0.6 -4,-2.1 -3,-0.3 -1,-0.2 -0.796 39.1 47.2-133.8 177.7 70.3 6.5 9.2 59 59 A G E S- 0 0 40 -2,-0.3 2,-0.0 -6,-0.2 0, 0.0 -0.312 107.2 -8.2 79.9-171.5 68.3 9.7 9.3 60 60 A T E S- 0 0 68 -8,-0.1 -7,-2.4 1,-0.1 2,-0.5 -0.300 70.0-147.9 -59.8 136.3 66.3 10.7 12.4 61 61 A K E -F 52 0B 106 -9,-0.2 2,-0.5 -8,-0.1 -9,-0.2 -0.933 11.1-168.3-115.5 119.7 66.2 8.0 15.0 62 62 A W E -F 51 0B 39 -11,-2.9 -11,-3.2 -2,-0.5 2,-0.4 -0.896 12.5-152.0-105.6 131.0 63.2 7.5 17.3 63 63 A T E -F 50 0B 71 -2,-0.5 2,-0.4 -13,-0.2 -13,-0.2 -0.849 12.4-175.9-108.9 137.4 63.6 5.1 20.3 64 64 A Y E +F 49 0B 27 -15,-2.3 -15,-2.4 -2,-0.4 3,-0.1 -0.996 17.1 168.4-134.4 133.1 60.9 3.1 22.0 65 65 A T + 0 0 83 -2,-0.4 -19,-0.4 -17,-0.2 2,-0.3 0.222 69.9 32.3-124.3 11.2 61.1 0.8 25.1 66 66 A S S S- 0 0 71 -21,-0.1 -25,-0.1 -17,-0.1 -1,-0.1 -0.974 103.8 -56.2-159.1 164.3 57.4 0.2 25.9 67 67 A D - 0 0 88 -24,-0.4 -25,-0.3 -2,-0.3 -2,-0.1 -0.152 52.2-162.6 -47.7 136.0 54.0 -0.2 24.1 68 68 A T B -C 41 0A 17 -27,-3.5 -27,-2.0 1,-0.1 -57,-0.3 -0.914 20.8-175.0-132.0 105.9 53.4 2.9 22.0 69 69 A P S S+ 0 0 57 0, 0.0 -59,-3.5 0, 0.0 2,-0.3 0.654 87.9 21.8 -71.3 -14.4 49.8 3.6 20.7 70 70 A W - 0 0 104 -61,-0.2 -30,-0.2 -29,-0.1 3,-0.1 -0.842 64.0-157.0-157.5 113.6 51.3 6.6 18.7 71 71 A V - 0 0 10 -32,-2.3 4,-0.2 -2,-0.3 -31,-0.1 0.641 59.4 -95.1 -67.2 -14.7 54.9 6.9 17.7 72 72 A G > - 0 0 21 -33,-0.3 4,-1.8 1,-0.1 -1,-0.2 -0.235 33.1 -81.4 114.7 154.8 54.5 10.7 17.4 73 73 A N T 4 S+ 0 0 132 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.902 127.3 42.9 -58.1 -45.8 53.8 13.2 14.7 74 74 A D T 4 S+ 0 0 110 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.898 119.2 43.5 -68.6 -41.2 57.3 13.4 13.3 75 75 A A T >4 S+ 0 0 2 -4,-0.2 3,-1.3 -36,-0.1 4,-0.4 0.621 85.5 116.8 -80.9 -14.5 57.9 9.6 13.5 76 76 A N T 3< S- 0 0 32 -4,-1.8 -37,-0.2 1,-0.3 -38,-0.1 -0.305 90.1 -6.1 -61.8 133.8 54.5 8.6 12.1 77 77 A D T 3 S+ 0 0 66 -39,-1.9 -1,-0.3 1,-0.1 -38,-0.1 0.865 109.4 101.9 51.8 40.6 54.6 6.7 8.8 78 78 A K < + 0 0 72 -3,-1.3 -2,-0.1 -40,-0.5 -1,-0.1 0.533 34.1 126.1-126.8 -11.8 58.4 7.2 8.5 79 79 A M + 0 0 4 -4,-0.4 -43,-1.1 -41,-0.3 -42,-0.2 -0.308 16.3 154.9 -55.4 121.1 60.0 3.9 9.5 80 80 A T S S+ 0 0 14 -28,-2.6 2,-0.3 1,-0.5 -24,-0.2 0.542 70.4 7.4-119.7 -24.5 62.3 2.9 6.7 81 81 A S E - E 0 52B 0 -29,-1.2 -29,-2.8 -26,-0.2 -1,-0.5 -0.962 69.6-167.1-153.1 158.6 64.8 0.7 8.8 82 82 A V E -DE 23 51B 0 -59,-2.4 -59,-2.8 -2,-0.3 2,-0.5 -0.977 15.6-149.2-158.9 140.1 64.8 -0.5 12.4 83 83 A K E -DE 22 50B 52 -33,-2.5 -33,-3.0 -2,-0.3 2,-0.4 -0.931 16.4-166.2-110.9 132.3 67.0 -2.1 15.0 84 84 A I E -DE 21 49B 3 -63,-3.2 -63,-1.6 -2,-0.5 2,-0.4 -0.972 5.1-173.7-121.2 127.3 65.5 -4.3 17.7 85 85 A Y E - E 0 48B 86 -37,-2.6 -37,-2.0 -2,-0.4 -2,-0.0 -0.933 30.1-149.0-122.8 144.5 67.3 -5.4 20.8 86 86 A S 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 -39,-0.0 0.277 360.0 360.0 -87.8 11.0 66.3 -7.9 23.6 87 87 A T 0 0 131 -39,-0.2 -40,-0.3 0, 0.0 -1,-0.3 -0.366 360.0 360.0-128.1 360.0 68.4 -5.5 25.8