==== 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 ANTIBIOTIC 24-JUN-10 3NNO . COMPND 2 MOLECULE: PEPTIDOGLYCAN RECOGNITION PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMELUS DROMEDARIUS; . AUTHOR D.DUBE,P.SHARMA,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 684 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.5 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 . 4 0.6 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 . 32 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.3 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 6 0 0 2 1 1 0 0 0 0 0 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 0 4 4 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 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 . 0 0 0 0 0 4 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 E 0 0 216 0, 0.0 133,-0.1 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0-108.1 45.0 37.1 -41.3 2 2 A D - 0 0 128 131,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.851 360.0-147.7 -95.4 111.2 45.2 33.5 -43.0 3 3 A P + 0 0 122 0, 0.0 -1,-0.1 0, 0.0 131,-0.0 0.636 53.7 124.0 -51.6 -31.4 44.9 33.7 -46.9 4 4 A P - 0 0 102 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.127 59.5-133.5 -42.1 109.3 43.0 30.3 -47.6 5 5 A A - 0 0 84 1,-0.1 2,-0.3 129,-0.0 128,-0.0 -0.095 24.2-154.5 -67.2 164.8 39.9 31.4 -49.6 6 6 A a + 0 0 44 295,-0.0 3,-0.4 172,-0.0 292,-0.1 -0.971 33.1 8.3-150.1 152.5 36.3 30.1 -48.9 7 7 A G S S- 0 0 13 -2,-0.3 2,-0.5 1,-0.2 291,-0.1 0.239 71.6 -94.1 66.8 165.1 32.8 29.3 -50.1 8 8 A S + 0 0 18 115,-0.1 73,-1.0 290,-0.1 2,-0.4 -0.693 57.2 173.4-115.6 75.4 31.4 29.5 -53.6 9 9 A I E -a 81 0A 32 -2,-0.5 73,-0.2 -3,-0.4 71,-0.0 -0.708 32.6-132.8 -90.5 127.7 30.0 33.0 -53.5 10 10 A V E -a 82 0A 4 71,-3.3 73,-2.5 -2,-0.4 5,-0.1 -0.757 31.7-130.3 -79.8 117.0 28.7 34.6 -56.6 11 11 A P >> - 0 0 39 0, 0.0 3,-1.0 0, 0.0 4,-1.0 -0.294 17.6-109.2 -70.6 153.6 30.3 38.1 -56.7 12 12 A R H >>>S+ 0 0 45 1,-0.3 5,-1.7 2,-0.2 4,-0.9 0.861 117.4 57.3 -50.0 -46.8 28.2 41.3 -57.2 13 13 A R H >45S+ 0 0 198 1,-0.2 3,-0.8 3,-0.2 -1,-0.3 0.884 101.9 59.1 -54.3 -37.8 29.6 41.9 -60.7 14 14 A E H <45S+ 0 0 42 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 109.0 40.1 -66.3 -35.0 28.3 38.4 -61.7 15 15 A W H <<5S- 0 0 2 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.462 116.0-114.0 -95.3 4.3 24.6 39.1 -60.9 16 16 A R T <<5 - 0 0 199 -4,-0.9 2,-0.2 -3,-0.8 -3,-0.2 0.920 48.6-179.0 72.3 50.8 24.9 42.6 -62.3 17 17 A A < - 0 0 23 -5,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.562 29.8-111.9 -83.9 144.5 24.3 44.6 -59.2 18 18 A L - 0 0 69 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.311 51.2 -82.6 -58.1 155.1 24.2 48.3 -59.0 19 19 A A - 0 0 75 1,-0.1 2,-0.2 49,-0.1 -1,-0.1 -0.302 45.3-115.5 -60.9 143.9 27.2 49.9 -57.2 20 20 A S - 0 0 40 1,-0.1 48,-0.2 -3,-0.1 -1,-0.1 -0.540 23.9-174.4 -78.7 148.6 27.0 50.1 -53.4 21 21 A E + 0 0 118 46,-1.5 47,-0.1 -2,-0.2 -1,-0.1 0.316 47.3 122.4-115.7 -1.9 26.9 53.5 -51.7 22 22 A b + 0 0 14 45,-0.3 -2,-0.1 1,-0.1 69,-0.0 -0.391 30.0 170.6 -68.2 137.4 27.2 52.0 -48.2 23 23 A R + 0 0 201 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.624 39.1 104.1-119.7 -20.8 30.2 53.3 -46.2 24 24 A E - 0 0 120 66,-0.1 66,-1.5 1,-0.1 2,-0.2 -0.428 57.0-146.6 -71.3 134.2 29.8 52.0 -42.6 25 25 A R B -G 89 0B 188 64,-0.2 2,-0.4 -2,-0.2 64,-0.2 -0.588 7.1-130.0 -97.6 161.3 32.0 49.1 -41.6 26 26 A L - 0 0 11 62,-2.3 2,-0.4 -2,-0.2 75,-0.1 -0.910 29.9-111.8-110.1 136.5 31.2 46.2 -39.2 27 27 A T - 0 0 124 73,-0.5 61,-0.0 -2,-0.4 0, 0.0 -0.576 46.6-102.6 -76.4 124.4 33.7 45.4 -36.4 28 28 A R S S+ 0 0 105 -2,-0.4 108,-0.1 1,-0.1 109,-0.1 -0.693 99.4 44.1 -89.3 142.1 35.4 42.1 -37.0 29 29 A P S S- 0 0 60 0, 0.0 108,-0.3 0, 0.0 2,-0.2 0.602 81.1-153.8 -83.8 151.1 34.8 39.5 -35.6 30 30 A V E -b 137 0A 4 106,-3.2 108,-2.3 1,-0.1 72,-0.1 -0.609 6.6-160.9 -87.4 144.1 31.0 39.6 -35.7 31 31 A R E + 0 0 5 70,-0.8 111,-2.8 -2,-0.2 2,-0.4 0.717 63.3 55.9 -98.5 -29.3 29.1 37.7 -33.0 32 32 A Y E -bc 142 102A 5 69,-1.2 71,-2.9 109,-0.2 2,-0.5 -0.890 51.2-164.7-117.9 141.3 25.5 37.3 -34.4 33 33 A V E -bc 143 103A 0 109,-3.5 111,-3.3 -2,-0.4 2,-0.6 -0.985 13.0-161.0-113.6 122.2 24.0 35.8 -37.6 34 34 A V E -bc 144 104A 0 69,-3.9 71,-1.5 -2,-0.5 2,-0.5 -0.908 6.2-153.7-107.8 120.3 20.4 36.8 -38.2 35 35 A V E +bc 145 105A 0 109,-2.7 111,-1.8 -2,-0.6 2,-0.3 -0.790 23.3 160.8 -97.5 127.0 18.5 34.5 -40.6 36 36 A S E - c 0 106A 1 69,-1.8 71,-2.9 -2,-0.5 2,-0.4 -0.810 31.5-123.4-132.0 167.6 15.6 36.0 -42.6 37 37 A H E - c 0 107A 16 -2,-0.3 71,-0.2 69,-0.2 73,-0.1 -0.911 14.0-135.2-113.4 152.9 13.6 35.2 -45.7 38 38 A T - 0 0 25 69,-2.9 72,-0.2 -2,-0.4 70,-0.1 0.771 24.1-148.8 -66.2 -30.3 13.0 37.4 -48.6 39 39 A A + 0 0 59 70,-3.1 71,-0.3 68,-0.3 2,-0.1 0.696 66.1 102.3 57.1 18.6 9.2 36.7 -48.7 40 40 A G S S- 0 0 34 69,-0.5 -1,-0.2 1,-0.3 70,-0.1 -0.292 82.8 -42.1-108.4-160.2 9.6 37.2 -52.5 41 41 A S - 0 0 79 68,-0.2 -1,-0.3 -2,-0.1 2,-0.2 -0.258 54.6-132.0 -65.9 151.3 9.8 34.8 -55.5 42 42 A H - 0 0 90 -3,-0.1 2,-0.3 67,-0.1 67,-0.2 -0.626 18.4-163.5 -96.4 165.7 11.9 31.7 -55.3 43 43 A c - 0 0 5 65,-0.5 34,-1.0 -2,-0.2 65,-0.1 -0.988 15.3-171.9-143.3 147.8 14.4 30.6 -58.0 44 44 A D + 0 0 84 -2,-0.3 175,-0.3 32,-0.1 -1,-0.0 0.223 65.2 63.4-130.6 21.1 16.1 27.3 -58.7 45 45 A T S > S- 0 0 27 172,-0.1 4,-2.5 173,-0.1 3,-0.3 -0.996 81.9-117.8-141.0 143.6 18.7 28.0 -61.4 46 46 A P H > S+ 0 0 5 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.778 117.9 53.7 -48.1 -26.4 21.8 30.2 -61.4 47 47 A A H > S+ 0 0 73 169,-0.2 4,-1.3 2,-0.2 5,-0.1 0.943 111.2 40.3 -75.6 -48.7 20.0 32.1 -64.2 48 48 A S H > S+ 0 0 42 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.782 115.3 52.2 -75.9 -26.4 16.8 32.8 -62.4 49 49 A c H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.825 102.5 55.8 -79.9 -35.6 18.5 33.6 -59.0 50 50 A A H X S+ 0 0 23 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.927 110.7 50.1 -57.4 -42.8 20.9 36.2 -60.4 51 51 A Q H X S+ 0 0 96 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.949 109.0 49.2 -54.5 -57.0 17.7 37.7 -61.6 52 52 A Q H X S+ 0 0 27 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.887 105.7 56.5 -54.8 -46.7 16.1 37.5 -58.1 53 53 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.921 106.7 52.9 -48.1 -48.9 19.1 39.0 -56.4 54 54 A Q H X S+ 0 0 56 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.869 107.7 47.5 -58.6 -45.2 18.7 42.0 -58.8 55 55 A N H X S+ 0 0 72 -4,-1.6 4,-3.4 2,-0.2 -1,-0.2 0.880 111.5 50.9 -67.4 -38.5 15.0 42.7 -58.0 56 56 A V H X S+ 0 0 16 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.950 117.6 39.0 -63.7 -46.8 15.5 42.5 -54.3 57 57 A Q H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 5,-0.4 0.907 115.4 53.7 -66.3 -43.5 18.4 45.0 -54.5 58 58 A S H X>S+ 0 0 50 -4,-3.1 4,-2.3 -5,-0.3 5,-0.6 0.971 110.3 46.4 -54.2 -52.4 16.6 47.0 -57.1 59 59 A Y H X>S+ 0 0 120 -4,-3.4 5,-1.3 1,-0.2 4,-0.7 0.815 115.0 48.6 -62.8 -29.6 13.6 47.2 -54.7 60 60 A H H <5S+ 0 0 14 -4,-1.6 6,-2.3 3,-0.2 -1,-0.2 0.868 121.8 31.2 -76.3 -40.9 15.9 48.1 -51.8 61 61 A V H X5S+ 0 0 36 -4,-3.2 4,-0.8 4,-0.2 -3,-0.2 0.957 125.4 39.9 -82.5 -56.2 17.9 50.8 -53.6 62 62 A R H <5S+ 0 0 172 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.840 131.5 21.2 -62.9 -41.2 15.3 52.3 -56.0 63 63 A N T < - 0 0 1 4,-2.5 3,-1.8 -2,-0.4 47,-0.1 -0.719 29.4-133.1-105.3 158.7 19.4 30.5 -53.6 77 77 A E T 3 S+ 0 0 10 -34,-1.0 42,-0.1 1,-0.3 43,-0.1 0.382 109.0 83.6 -83.0 -5.5 17.4 27.3 -54.0 78 78 A D T 3 S- 0 0 0 2,-0.2 -1,-0.3 -33,-0.1 3,-0.1 0.773 113.1-121.1 -50.6 -32.8 20.0 27.5 -56.6 79 79 A G S < S+ 0 0 4 -3,-1.8 2,-0.3 1,-0.4 -2,-0.1 0.460 77.5 113.3 80.8 8.5 22.3 26.1 -54.0 80 80 A L - 0 0 6 172,-0.0 -4,-2.5 -71,-0.0 2,-0.5 -0.824 64.3-129.3-113.3 155.9 24.5 29.2 -54.4 81 81 A V E -aD 9 75A 7 -73,-1.0 -71,-3.3 -2,-0.3 2,-0.5 -0.874 18.9-150.4 -99.2 129.0 25.4 32.2 -52.1 82 82 A Y E -aD 10 74A 3 -8,-3.2 -8,-2.2 -2,-0.5 2,-0.5 -0.865 19.3-123.1 -99.8 128.3 24.9 35.7 -53.6 83 83 A E E + D 0 73A 61 -73,-2.5 -10,-0.2 -2,-0.5 -11,-0.1 -0.638 39.9 164.2 -75.2 119.1 27.2 38.3 -52.3 84 84 A G S S- 0 0 1 -12,-1.9 -12,-0.3 -2,-0.5 -11,-0.2 0.433 74.1 -23.8 -98.2-119.0 25.2 41.2 -50.8 85 85 A R S > S- 0 0 25 -14,-2.6 4,-0.8 1,-0.2 3,-0.3 0.661 96.0-146.0 -71.8 -12.2 26.9 43.8 -48.6 86 86 A G T 4 - 0 0 6 -14,-1.9 -1,-0.2 1,-0.2 3,-0.1 -0.190 34.6 -50.8 78.6-170.5 29.5 41.1 -47.8 87 87 A W T 4 S+ 0 0 29 1,-0.2 -1,-0.2 -3,-0.1 -57,-0.1 0.736 129.7 46.2 -75.9 -24.9 31.4 40.4 -44.6 88 88 A N T 4 S+ 0 0 65 -3,-0.3 -62,-2.3 -16,-0.1 2,-0.4 0.704 93.2 77.4 -99.8 -23.1 32.7 43.9 -44.0 89 89 A I B < S-G 25 0B 32 -4,-0.8 -64,-0.2 -64,-0.2 2,-0.1 -0.782 80.0-113.2 -98.6 133.7 29.7 46.4 -44.5 90 90 A K - 0 0 52 -66,-1.5 -66,-0.1 -2,-0.4 13,-0.1 -0.341 36.9-143.9 -58.5 132.1 26.9 47.0 -42.0 91 91 A G - 0 0 1 11,-0.4 -20,-0.2 8,-0.4 -21,-0.1 -0.079 13.5-134.3 -88.6-171.1 23.5 45.7 -43.3 92 92 A A + 0 0 23 -22,-2.4 -22,-0.1 12,-0.1 -21,-0.1 -0.604 68.9 106.0-141.8 74.0 19.9 46.9 -42.9 93 93 A H S S+ 0 0 13 2,-0.2 -22,-0.1 -2,-0.1 -1,-0.0 0.508 79.6 25.9-136.7 -14.3 18.1 43.8 -42.1 94 94 A A S S- 0 0 1 1,-0.3 4,-0.4 8,-0.1 3,-0.2 0.201 105.2 -87.6-147.5 24.2 17.0 43.7 -38.4 95 95 A G >> - 0 0 17 1,-0.2 4,-2.9 3,-0.1 3,-0.5 -0.050 52.9 -72.1 85.1 164.4 16.7 47.3 -37.0 96 96 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.735 126.9 59.2 -74.9 -23.8 19.3 49.5 -35.4 97 97 A T T 34 S+ 0 0 90 -3,-0.2 -2,-0.1 1,-0.1 4,-0.0 0.861 121.8 27.0 -69.6 -29.5 19.7 47.6 -32.2 98 98 A W T X4 S+ 0 0 24 -3,-0.5 3,-0.8 -4,-0.4 4,-0.4 0.678 104.2 74.1-107.6 -23.7 20.7 44.6 -34.2 99 99 A N G >< S+ 0 0 16 -4,-2.9 3,-1.5 1,-0.2 -8,-0.4 0.968 93.2 52.5 -54.6 -56.9 22.3 45.8 -37.5 100 100 A P G 3 S+ 0 0 57 0, 0.0 -73,-0.5 0, 0.0 -1,-0.2 0.599 115.9 40.8 -59.7 -10.6 25.7 47.1 -36.1 101 101 A I G < S+ 0 0 30 -3,-0.8 -69,-1.2 -75,-0.1 -70,-0.8 0.330 108.9 49.5-124.8 8.9 26.4 43.8 -34.4 102 102 A S E < -c 32 0A 0 -3,-1.5 2,-0.4 -4,-0.4 -11,-0.4 -0.945 66.8-117.8-147.7 160.6 25.4 40.9 -36.8 103 103 A I E -c 33 0A 0 -71,-2.9 -69,-3.9 -2,-0.3 2,-0.6 -0.877 26.5-151.7 -98.3 132.5 25.4 39.4 -40.2 104 104 A G E -c 34 0A 0 -2,-0.4 -32,-2.6 -71,-0.2 -31,-1.3 -0.945 14.4-179.0-107.7 114.1 22.1 39.1 -42.0 105 105 A I E -ce 35 73A 0 -71,-1.5 -69,-1.8 -2,-0.6 2,-0.4 -0.964 12.1-160.2-109.1 126.8 21.8 36.2 -44.5 106 106 A S E -ce 36 74A 0 -33,-2.7 -31,-1.8 -2,-0.5 2,-0.4 -0.910 13.1-135.6-112.6 136.6 18.5 36.0 -46.2 107 107 A F E -ce 37 75A 1 -71,-2.9 -69,-2.9 -2,-0.4 2,-1.0 -0.735 27.7-121.3 -84.2 137.3 17.0 33.1 -48.0 108 108 A M S S+ 0 0 0 -33,-2.3 -65,-0.5 -2,-0.4 2,-0.3 -0.704 77.2 31.2 -86.7 101.5 15.4 34.0 -51.3 109 109 A G S S- 0 0 0 -2,-1.0 -70,-3.1 -67,-0.2 -69,-0.5 -0.934 94.1 -67.5 149.6-167.3 11.7 33.0 -51.2 110 110 A N - 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