==== 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 19-MAY-10 3N2Z . COMPND 2 MOLECULE: LYSOSOMAL PRO-X CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.M.SOISSON,S.B.PATEL,K.J.LUMB,S.SHARMA . 442 2 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.3 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 1 0 2 1 3 0 0 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 46 B K 0 0 179 0, 0.0 2,-0.3 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0-120.8 56.7 19.3 92.3 2 47 B N + 0 0 139 2,-0.0 30,-0.3 0, 0.0 2,-0.2 -0.874 360.0 176.4-122.1 152.0 54.0 21.1 94.4 3 48 B Y - 0 0 70 -2,-0.3 2,-0.4 27,-0.1 27,-0.2 -0.800 30.1-107.4-136.2 173.9 52.6 24.6 94.7 4 49 B S E -A 29 0A 58 25,-2.0 25,-1.9 -2,-0.2 2,-0.6 -0.927 24.4-134.8-113.4 132.4 49.8 26.6 96.5 5 50 B V E +A 28 0A 64 -2,-0.4 2,-0.3 23,-0.2 23,-0.2 -0.804 35.9 176.8 -89.5 119.2 46.7 28.0 94.6 6 51 B L E -A 27 0A 65 21,-3.3 21,-2.8 -2,-0.6 2,-0.3 -0.857 20.7-148.0-126.2 160.0 46.1 31.6 95.7 7 52 B Y E -A 26 0A 105 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.962 6.6-167.4-129.8 143.9 43.8 34.5 94.8 8 53 B F E -A 25 0A 28 17,-1.9 17,-2.7 -2,-0.3 2,-0.3 -0.997 26.1-120.3-136.2 127.2 44.2 38.3 94.8 9 54 B Q E -A 24 0A 116 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.516 38.1-175.8 -68.2 122.8 41.5 41.0 94.6 10 55 B Q E -A 23 0A 5 13,-3.1 13,-1.3 -2,-0.3 2,-0.1 -0.945 29.6-111.7-125.6 146.0 42.1 43.2 91.5 11 56 B K E -A 22 0A 120 -2,-0.3 11,-0.2 11,-0.2 3,-0.2 -0.454 21.5-140.2 -70.0 142.9 40.4 46.3 90.1 12 57 B V S S+ 0 0 1 9,-2.6 2,-0.5 1,-0.2 -1,-0.1 0.930 92.4 37.7 -71.7 -42.6 38.5 45.5 86.9 13 58 B D + 0 0 27 8,-0.4 -1,-0.2 6,-0.2 3,-0.2 -0.935 54.1 169.2-115.8 116.9 39.7 48.8 85.4 14 59 B H S S+ 0 0 40 -2,-0.5 -1,-0.1 -3,-0.2 -2,-0.1 0.677 83.6 54.4 -92.7 -20.3 43.2 50.2 86.1 15 60 B F S S+ 0 0 118 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.334 108.9 45.4 -96.6 6.8 42.8 52.9 83.4 16 61 B G - 0 0 21 -3,-0.2 -3,-0.1 3,-0.1 -1,-0.0 -0.997 54.7-152.8-152.7 151.0 39.5 54.5 84.6 17 62 B F S S+ 0 0 199 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 0.623 83.0 79.0 -98.7 -15.2 37.8 55.7 87.8 18 63 B N S S+ 0 0 162 2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.849 89.1 57.9 -61.0 -43.0 34.1 55.2 86.8 19 64 B T + 0 0 35 1,-0.1 -6,-0.2 2,-0.1 -3,-0.1 -0.778 53.0 172.4 -93.1 136.9 34.1 51.4 87.4 20 65 B V + 0 0 123 -2,-0.4 -1,-0.1 -8,-0.1 -2,-0.1 0.248 35.2 131.3-122.8 4.6 35.0 50.2 90.9 21 66 B K - 0 0 129 -10,-0.1 -9,-2.6 1,-0.1 -8,-0.4 -0.282 39.2-159.4 -61.8 140.5 34.2 46.5 90.4 22 67 B T E -A 11 0A 59 -11,-0.2 2,-0.3 -10,-0.1 -11,-0.2 -0.599 10.9-173.0-115.3 177.3 36.8 43.9 91.5 23 68 B F E -A 10 0A 10 -13,-1.3 -13,-3.1 -2,-0.2 2,-0.6 -0.944 31.1-103.6-164.3 156.2 37.6 40.2 90.7 24 69 B N E -A 9 0A 83 -2,-0.3 2,-0.4 60,-0.3 -15,-0.2 -0.837 27.7-155.3 -97.1 119.8 40.0 37.5 92.0 25 70 B Q E -A 8 0A 0 -17,-2.7 -17,-1.9 -2,-0.6 2,-0.3 -0.790 18.7-130.5 -90.1 130.8 43.0 36.8 89.9 26 71 B R E +A 7 0A 3 -2,-0.4 50,-2.5 -19,-0.2 2,-0.3 -0.617 33.1 168.2 -85.2 144.2 44.4 33.3 90.4 27 72 B Y E -AB 6 75A 11 -21,-2.8 -21,-3.3 -2,-0.3 2,-0.4 -0.978 23.1-135.9-152.4 154.8 48.1 32.8 91.0 28 73 B L E -AB 5 74A 1 46,-2.2 46,-2.2 -2,-0.3 2,-0.4 -0.945 9.8-160.0-120.8 142.9 50.4 30.0 92.1 29 74 B V E -AB 4 73A 8 -25,-1.9 -25,-2.0 -2,-0.4 2,-0.5 -0.980 8.2-175.8-125.2 126.4 53.3 30.0 94.6 30 75 B A E + B 0 72A 7 42,-2.2 42,-2.9 -2,-0.4 -27,-0.1 -0.987 12.0 168.8-117.2 111.5 56.2 27.4 94.9 31 76 B D > + 0 0 100 -2,-0.5 3,-1.6 40,-0.2 -1,-0.1 0.568 36.9 108.5-105.5 -11.7 58.4 28.2 97.9 32 77 B K T 3 S+ 0 0 117 -30,-0.3 40,-0.1 1,-0.2 38,-0.1 -0.453 90.1 23.1 -64.0 140.2 60.7 25.2 98.4 33 78 B Y T 3 S+ 0 0 83 1,-0.3 2,-0.4 36,-0.1 -1,-0.2 0.065 94.6 124.3 85.4 -19.3 64.3 26.3 97.3 34 79 B W < - 0 0 31 -3,-1.6 2,-0.6 36,-0.2 -1,-0.3 -0.585 49.9-154.9 -74.4 126.2 63.4 30.0 98.0 35 80 B K > - 0 0 108 34,-0.9 4,-1.3 -2,-0.4 36,-0.1 -0.921 16.9-163.5-109.6 114.7 65.8 31.6 100.4 36 81 B K T 4 S+ 0 0 115 -2,-0.6 2,-1.4 1,-0.2 -1,-0.1 0.745 84.0 85.0 -55.9 -26.5 64.4 34.6 102.4 37 82 B N T 4 S- 0 0 113 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 -0.567 126.9 -44.5 -81.8 66.1 68.2 35.0 102.9 38 83 B G T 4 S+ 0 0 36 -2,-1.4 -1,-0.2 84,-0.2 -2,-0.2 0.836 100.7 134.9 71.7 39.8 69.1 37.0 99.7 39 84 B G < - 0 0 1 -4,-1.3 2,-0.3 83,-0.1 31,-0.2 0.326 42.3-117.3 -91.1-144.4 67.1 34.9 97.1 40 85 B S E -c 70 0A 0 29,-1.4 31,-2.1 86,-0.2 2,-0.5 -0.969 7.5-120.6-157.8 168.4 64.8 35.9 94.1 41 86 B I E -cd 71 128A 4 86,-2.4 88,-2.9 -2,-0.3 2,-0.7 -0.987 14.4-159.1-122.6 120.9 61.3 35.7 92.6 42 87 B L E -cd 72 129A 0 29,-2.8 31,-3.0 -2,-0.5 2,-0.6 -0.911 18.5-166.4 -99.9 105.2 60.7 34.0 89.2 43 88 B F E -cd 73 130A 0 86,-2.8 88,-2.4 -2,-0.7 2,-0.7 -0.874 11.7-151.3-103.0 111.0 57.4 35.5 88.0 44 89 B Y E -cd 74 131A 5 29,-3.3 31,-2.0 -2,-0.6 2,-1.4 -0.699 13.0-142.8 -82.2 113.0 55.6 33.9 85.0 45 90 B T E -c 75 0A 0 86,-1.7 95,-0.2 -2,-0.7 88,-0.2 -0.646 31.1-128.2 -77.9 93.2 53.5 36.5 83.2 46 91 B G - 0 0 0 29,-1.5 2,-0.1 -2,-1.4 32,-0.1 -0.015 29.4-168.4 -46.5 139.8 50.5 34.4 82.3 47 92 B N - 0 0 2 30,-0.1 2,-2.7 3,-0.1 30,-0.5 -0.353 45.2 -32.6-118.0-163.5 49.1 34.2 78.8 48 93 B E S S+ 0 0 55 -2,-0.1 2,-0.3 28,-0.1 263,-0.1 -0.215 109.7 35.8 -55.6 58.1 46.1 32.9 76.7 49 94 B G S S- 0 0 15 -2,-2.7 28,-0.4 28,-0.1 2,-0.2 -0.982 100.5 -38.1 175.9-179.7 45.1 29.9 78.8 50 95 B D >> - 0 0 65 -2,-0.3 4,-1.2 1,-0.1 3,-0.6 -0.455 46.5-137.1 -63.0 127.0 44.7 28.1 82.3 51 96 B I H 3> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.815 103.8 60.2 -56.8 -34.2 47.7 29.1 84.6 52 97 B I H 3> S+ 0 0 44 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.906 100.8 55.3 -60.0 -42.3 48.0 25.4 85.8 53 98 B W H <> S+ 0 0 113 -3,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.906 110.8 43.9 -55.9 -46.4 48.7 24.4 82.1 54 99 B F H X S+ 0 0 22 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.773 115.0 49.9 -69.1 -29.1 51.6 26.9 82.0 55 100 B C H < S+ 0 0 2 -4,-1.7 -2,-0.2 2,-0.2 3,-0.2 0.932 110.1 49.4 -71.7 -50.0 52.8 25.8 85.5 56 101 B N H < S+ 0 0 107 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.722 120.4 37.8 -60.1 -30.4 52.7 22.1 84.4 57 102 B N H < S+ 0 0 35 -4,-1.2 2,-1.5 -5,-0.2 356,-0.2 0.614 89.0 84.3-107.3 -12.5 54.7 22.8 81.3 58 103 B T >X + 0 0 3 -4,-1.5 3,-1.2 -3,-0.2 4,-0.7 -0.531 50.1 161.8 -90.3 68.8 57.3 25.5 82.1 59 104 B G H >> + 0 0 4 -2,-1.5 4,-2.5 352,-0.3 3,-0.6 0.859 62.6 69.1 -53.6 -44.7 59.9 22.9 83.4 60 105 B F H 3> S+ 0 0 6 351,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.786 95.1 57.2 -47.2 -36.5 62.9 25.2 83.1 61 106 B M H <> S+ 0 0 0 -3,-1.2 4,-0.6 350,-0.4 3,-0.4 0.942 112.1 38.5 -64.6 -46.0 61.4 27.3 86.0 62 107 B W H << S+ 0 0 61 -4,-0.7 4,-0.5 -3,-0.6 3,-0.4 0.837 115.0 56.5 -69.5 -34.8 61.3 24.3 88.4 63 108 B D H < S+ 0 0 62 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.672 114.9 36.9 -68.1 -25.0 64.7 23.1 87.0 64 109 B V H X S+ 0 0 10 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.2 0.393 90.9 94.8-110.1 -3.4 66.4 26.5 87.8 65 110 B A H X>S+ 0 0 4 -4,-0.6 5,-2.0 -3,-0.4 4,-0.5 0.921 87.3 44.3 -55.4 -55.1 64.6 27.2 91.1 66 111 B E H >45S+ 0 0 129 -4,-0.5 3,-1.1 3,-0.2 -1,-0.2 0.924 113.3 51.5 -57.7 -50.8 67.3 25.7 93.5 67 112 B E H 345S+ 0 0 117 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.804 119.4 35.1 -56.6 -36.9 70.2 27.4 91.5 68 113 B L H 3<5S- 0 0 7 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.378 105.9-130.8 -99.5 3.3 68.6 30.8 91.7 69 114 B K T <<5 + 0 0 98 -3,-1.1 -29,-1.4 -4,-0.5 -34,-0.9 0.956 54.3 166.1 40.4 65.4 67.2 30.1 95.2 70 115 B A E < - c 0 40A 0 -5,-2.0 2,-0.4 -31,-0.2 -29,-0.2 -0.843 50.0-134.5-121.5 155.3 63.9 31.3 94.0 71 116 B M E - c 0 41A 3 -31,-2.1 -29,-2.8 -2,-0.3 2,-0.5 -0.781 32.3-136.3 -93.7 138.1 60.2 31.4 94.8 72 117 B L E -Bc 30 42A 2 -42,-2.9 -42,-2.2 -2,-0.4 2,-0.4 -0.899 20.3-173.1-104.1 128.0 58.1 30.6 91.7 73 118 B V E -Bc 29 43A 0 -31,-3.0 -29,-3.3 -2,-0.5 2,-0.5 -0.985 6.8-170.5-120.6 128.8 55.1 32.7 91.0 74 119 B F E -Bc 28 44A 1 -46,-2.2 -46,-2.2 -2,-0.4 2,-0.6 -0.961 11.4-164.3-118.7 105.6 52.6 31.8 88.2 75 120 B A E -Bc 27 45A 0 -31,-2.0 -29,-1.5 -2,-0.5 -48,-0.2 -0.853 14.6-131.9 -98.3 122.7 50.1 34.7 87.6 76 121 B E - 0 0 0 -50,-2.5 2,-0.3 -2,-0.6 -26,-0.1 -0.419 20.8-118.8 -71.0 142.2 47.0 34.0 85.6 77 122 B H > - 0 0 1 -30,-0.5 3,-1.5 -28,-0.4 6,-0.3 -0.654 37.4-100.7 -81.5 133.6 46.0 36.4 82.8 78 123 B R T 3 S+ 0 0 0 -2,-0.3 6,-0.2 1,-0.2 3,-0.1 -0.253 109.3 27.7 -53.0 140.3 42.6 38.1 83.3 79 124 B Y T 3 S+ 0 0 1 4,-2.8 2,-0.3 1,-0.2 -1,-0.2 0.380 107.3 93.2 81.0 5.0 39.7 36.4 81.2 80 125 B Y S X S- 0 0 4 -3,-1.5 3,-1.9 3,-0.4 -1,-0.2 -0.926 88.8 -15.9-128.2 148.9 41.5 33.0 81.3 81 126 B G T 3 S- 0 0 34 -2,-0.3 -31,-0.1 1,-0.2 3,-0.0 -0.432 127.6 -26.7 64.9-126.6 41.2 30.1 83.6 82 127 B E T 3 S+ 0 0 104 -2,-0.2 2,-0.8 1,-0.1 -1,-0.2 0.186 115.7 97.5-100.9 5.0 39.4 31.1 86.8 83 128 B S < + 0 0 0 -3,-1.9 -4,-2.8 -6,-0.3 -3,-0.4 -0.404 49.0 148.6 -96.9 55.9 40.5 34.8 86.6 84 129 B L > - 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