==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAY-10 3N6Z . COMPND 2 MOLECULE: PUTATIVE IMMUNOGLOBULIN A1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES OVATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 339 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 127 37.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 1 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 RESIDUES PER ALPHA HELIX . 0 8 11 4 0 2 1 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 29 A D 0 0 203 0, 0.0 12,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 132.1 50.3 43.7 42.8 2 30 A S - 0 0 36 1,-0.1 35,-0.1 5,-0.1 13,-0.0 -0.338 360.0-156.3 -64.7 141.3 46.5 43.6 43.6 3 31 A Y S S+ 0 0 90 3,-0.1 2,-0.2 33,-0.1 -1,-0.1 0.486 81.1 63.1 -84.9 -10.3 43.9 44.6 41.0 4 32 A T S S- 0 0 14 2,-0.4 -2,-0.1 29,-0.1 29,-0.0 -0.528 100.8-100.0-103.9 177.6 41.5 45.3 43.9 5 33 A R S S+ 0 0 189 -2,-0.2 28,-0.0 1,-0.0 -3,-0.0 0.510 84.7 115.4 -77.5 -5.6 41.6 47.9 46.8 6 34 A V 0 0 29 1,-0.2 -2,-0.4 27,-0.1 -3,-0.1 -0.978 360.0 360.0-112.6 123.5 42.9 45.1 49.2 7 35 A P 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.427 360.0 360.0 -79.1 360.0 45.6 45.5 50.4 8 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 9 50 A G > 0 0 101 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 144.3 54.2 38.7 53.4 10 51 A D H > + 0 0 92 1,-0.2 4,-1.4 2,-0.2 6,-0.2 -0.137 360.0 32.9 -64.6 156.1 51.4 36.4 54.6 11 52 A G H >>S- 0 0 0 8,-1.6 5,-1.9 1,-0.2 4,-1.2 0.855 138.4 -62.9 65.2 33.5 48.2 36.3 52.6 12 53 A A H >45S- 0 0 37 7,-0.7 3,-0.7 -3,-0.4 -2,-0.2 0.945 106.6 -44.4 53.5 50.2 50.1 36.9 49.4 13 54 A G H 3<5S- 0 0 49 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 118.5 -43.1 67.9 31.1 51.2 40.3 50.6 14 55 A G H 3<5S+ 0 0 25 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.490 104.8 117.7 95.8 0.6 47.8 41.2 52.0 15 56 A L T <<5S+ 0 0 17 -4,-1.2 2,-0.3 -3,-0.7 22,-0.2 0.767 88.4 26.5 -63.4 -25.2 45.5 40.1 49.2 16 57 A F S S- 0 0 61 25,-0.1 4,-1.7 23,-0.1 -1,-0.1 -0.935 82.5 -91.4-157.2 176.3 35.3 40.0 52.5 32 73 A A H > S+ 0 0 15 25,-0.3 4,-1.7 -2,-0.3 5,-0.1 0.758 118.8 59.9 -73.0 -24.4 34.4 40.4 48.8 33 74 A T H 4 S+ 0 0 6 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.943 108.6 46.0 -67.9 -42.1 37.5 42.3 47.9 34 75 A Q H >4 S+ 0 0 15 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.881 107.9 55.6 -63.9 -40.6 39.5 39.3 49.0 35 76 A I H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.3 4,-0.3 0.882 103.3 56.8 -62.4 -31.1 37.3 36.9 47.1 36 77 A R T 3< S+ 0 0 29 -4,-1.7 3,-0.3 1,-0.2 -1,-0.3 0.621 97.9 63.4 -73.4 -10.6 38.0 39.0 44.0 37 78 A N T X> S+ 0 0 0 -3,-1.3 3,-0.9 -4,-0.4 4,-0.6 0.546 76.4 89.8 -87.0 -8.2 41.8 38.4 44.6 38 79 A X H X> S+ 0 0 0 -3,-1.2 3,-1.5 -4,-0.4 4,-0.6 0.900 82.7 55.5 -54.4 -46.1 41.4 34.6 44.1 39 80 A R H >4 S+ 0 0 82 -4,-0.3 3,-0.6 -3,-0.3 -1,-0.3 0.820 101.3 59.0 -59.4 -27.9 42.0 34.9 40.4 40 81 A S H <4 S+ 0 0 61 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.632 108.7 42.8 -76.3 -17.1 45.4 36.7 41.0 41 82 A V H << S+ 0 0 15 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.330 80.4 121.4-118.2 6.6 46.9 33.8 43.0 42 83 A L << - 0 0 18 -4,-0.6 2,-0.4 -3,-0.6 5,-0.1 -0.349 49.6-149.1 -63.2 150.2 45.8 30.7 40.9 43 84 A K > - 0 0 101 3,-0.5 3,-0.7 33,-0.3 33,-0.5 -0.992 15.2-152.5-132.6 124.2 48.7 28.6 39.7 44 85 A S T 3 S+ 0 0 87 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.767 97.2 51.1 -64.1 -26.6 48.8 26.6 36.4 45 86 A G T 3 S+ 0 0 72 1,-0.2 2,-0.3 30,-0.1 -1,-0.2 0.572 116.7 17.7 -90.4 -13.6 51.3 24.1 37.9 46 87 A X S < S- 0 0 112 -3,-0.7 -3,-0.5 30,-0.1 -1,-0.2 -0.990 81.8 -90.3-156.7 156.3 49.5 23.1 41.2 47 88 A K - 0 0 54 -2,-0.3 2,-0.4 28,-0.1 30,-0.2 -0.387 38.6-147.3 -64.3 135.5 46.2 23.2 43.2 48 89 A V E - c 0 77A 5 28,-2.0 30,-2.4 -2,-0.1 2,-0.4 -0.920 8.4-138.9-114.2 137.7 45.7 26.3 45.2 49 90 A Y E + c 0 78A 47 -28,-2.0 -22,-2.7 -2,-0.4 2,-0.3 -0.836 21.4 176.7-105.1 133.6 43.7 26.2 48.5 50 91 A F E -bc 27 79A 1 28,-2.7 30,-2.2 -2,-0.4 2,-0.3 -0.957 5.4-173.0-133.1 150.8 41.2 28.8 49.7 51 92 A Q E -bc 28 80A 44 -24,-2.9 -22,-2.7 -2,-0.3 2,-0.4 -0.999 21.9-128.8-144.3 139.4 39.0 29.0 52.8 52 93 A L E -b 29 0A 0 28,-2.1 -22,-0.2 -2,-0.3 3,-0.1 -0.776 17.5-177.9 -83.9 135.9 36.2 31.4 53.8 53 94 A G S S+ 0 0 28 -24,-2.7 2,-0.3 -2,-0.4 -23,-0.2 0.323 73.0 11.9-108.7 3.0 36.6 32.9 57.3 54 95 A A S S- 0 0 26 -25,-0.6 -1,-0.2 27,-0.1 30,-0.1 -0.958 94.7 -77.4-162.8 164.0 33.3 34.8 57.2 55 96 A D - 0 0 80 -2,-0.3 2,-0.5 29,-0.1 31,-0.2 -0.457 48.6-142.7 -64.6 148.2 30.1 35.1 55.1 56 97 A I E -d 86 0A 1 29,-2.7 31,-3.1 -2,-0.1 2,-0.7 -0.977 10.6-160.8-123.3 120.2 30.9 37.0 51.9 57 98 A D E -d 87 0A 85 -2,-0.5 -25,-0.3 29,-0.2 31,-0.2 -0.914 4.0-172.4-105.7 113.9 28.4 39.5 50.4 58 99 A X > + 0 0 4 29,-3.1 3,-2.0 -2,-0.7 32,-0.2 0.173 30.8 145.1 -91.7 17.2 29.2 40.1 46.7 59 100 A A T 3 + 0 0 60 1,-0.3 3,-0.1 28,-0.2 30,-0.1 -0.261 69.5 21.0 -54.8 139.0 26.6 42.9 46.2 60 101 A G T 3 S+ 0 0 72 1,-0.2 2,-0.7 28,-0.1 -1,-0.3 0.420 88.5 130.7 81.2 -0.3 27.9 45.6 43.9 61 102 A I < + 0 0 22 -3,-2.0 29,-0.3 27,-0.3 -1,-0.2 -0.812 19.1 161.0 -92.4 115.3 30.5 43.3 42.3 62 103 A D + 0 0 148 -2,-0.7 -1,-0.1 1,-0.1 -3,-0.0 0.415 57.6 72.8-107.5 -9.2 30.3 43.5 38.5 63 104 A D + 0 0 55 28,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.234 60.5 129.0-103.3 15.2 33.7 42.2 37.4 64 105 A W + 0 0 10 26,-0.3 2,-0.3 -3,-0.1 29,-0.3 -0.563 23.9 170.6 -74.0 131.8 33.5 38.5 38.1 65 106 A Q - 0 0 100 -2,-0.4 29,-0.1 26,-0.1 31,-0.1 -0.950 51.4 -79.9-125.5 152.7 34.5 36.1 35.4 66 107 A S > - 0 0 15 29,-0.4 3,-0.6 27,-0.4 4,-0.3 -0.109 36.2-127.2 -56.2 144.7 34.8 32.4 36.3 67 108 A L T 3 S+ 0 0 12 32,-2.0 34,-0.2 1,-0.2 33,-0.2 0.863 100.3 11.7 -61.8 -40.3 38.0 31.4 38.0 68 109 A N T 3 S+ 0 0 1 32,-2.5 -1,-0.2 28,-0.1 33,-0.2 -0.005 93.1 108.7-131.4 28.7 39.0 28.5 35.7 69 110 A G < + 0 0 0 -3,-0.6 2,-0.2 26,-0.2 -2,-0.1 0.605 67.4 66.4 -84.1 -11.2 36.6 28.9 32.7 70 111 A S S > S+ 0 0 71 -4,-0.3 3,-2.0 -3,-0.1 32,-0.1 -0.486 90.3 7.0-108.3 175.5 39.1 30.0 30.1 71 112 A G T 3 S- 0 0 63 1,-0.2 -3,-0.0 -2,-0.2 0, 0.0 -0.234 125.3 -29.1 59.6-143.3 42.1 28.7 28.3 72 113 A D T 3 S- 0 0 126 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.010 87.9-109.5 -92.9 20.2 42.8 25.0 28.9 73 114 A F < + 0 0 49 -3,-2.0 -2,-0.1 1,-0.1 -5,-0.1 0.885 58.0 166.3 57.3 49.3 41.3 25.2 32.4 74 115 A P + 0 0 25 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.554 37.2 95.3 -79.0 -8.9 44.7 24.9 34.0 75 116 A Y - 0 0 75 27,-0.1 29,-0.4 -7,-0.1 2,-0.3 -0.768 54.4-162.3 -97.7 110.3 43.9 26.0 37.6 76 117 A E - 0 0 22 -2,-0.8 -28,-2.0 -33,-0.5 2,-0.4 -0.614 16.0-164.1 -83.1 144.2 43.1 23.3 40.2 77 118 A I E -ce 48 105A 0 27,-2.4 29,-1.7 -2,-0.3 2,-0.5 -0.986 24.3-164.7-139.1 135.1 41.3 24.6 43.3 78 119 A D E -ce 49 106A 14 -30,-2.4 -28,-2.7 -2,-0.4 2,-0.5 -0.993 23.4-178.8-112.9 118.4 40.5 23.4 46.8 79 120 A F E -ce 50 107A 0 27,-2.8 29,-2.3 -2,-0.5 2,-0.5 -0.980 12.0-177.7-125.9 122.1 37.8 25.6 48.3 80 121 A D E -ce 51 108A 19 -30,-2.2 -28,-2.1 -2,-0.5 29,-0.2 -0.963 10.0-171.1-119.3 112.8 36.4 25.2 51.8 81 122 A G E > - 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