==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 24-APR-08 3CXA . COMPND 2 MOLECULE: PEPTIDOGLYCAN RECOGNITION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMELUS DROMEDARIUS; . AUTHOR K.BALAJI,P.SHARMA,N.SINGH,M.SINHA,A.BHUSHAN,P.KAUR,S.SHARMA, . 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) . 443 64.8 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 . 38 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 23.5 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 3 0 1 3 0 0 0 0 0 0 0 0 3 5 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 0 232 0, 0.0 133,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.7 91.6 35.7 39.3 2 2 A D + 0 0 126 132,-0.1 133,-0.1 1,-0.0 0, 0.0 -0.244 360.0 135.4 -95.1 43.4 89.3 33.0 40.6 3 3 A P + 0 0 78 0, 0.0 131,-0.2 0, 0.0 3,-0.2 -0.694 23.0 179.8 -95.4 95.2 86.8 31.7 37.9 4 4 A P - 0 0 94 0, 0.0 2,-0.2 0, 0.0 301,-0.1 0.874 69.7 -38.8 -52.9 -45.8 86.8 27.8 38.2 5 5 A A - 0 0 8 124,-0.1 128,-0.2 125,-0.1 129,-0.1 -0.805 63.1-168.6 179.9 142.9 84.2 27.4 35.4 6 6 A a - 0 0 35 -2,-0.2 2,-0.3 -3,-0.2 125,-0.1 0.678 23.1-100.0-108.7-100.9 81.0 29.4 34.4 7 7 A G - 0 0 15 123,-0.1 2,-0.7 172,-0.1 -1,-0.1 -0.883 34.5 -84.8 173.4 161.4 78.1 28.8 32.1 8 8 A S + 0 0 25 -2,-0.3 73,-0.8 243,-0.1 2,-0.4 -0.771 43.8 178.3 -93.7 113.1 76.9 29.8 28.6 9 9 A I E -a 81 0A 31 -2,-0.7 73,-0.2 71,-0.1 -2,-0.1 -0.919 31.8-120.8-117.0 135.8 75.0 33.0 28.4 10 10 A V E -a 82 0A 6 71,-3.2 73,-2.4 -2,-0.4 5,-0.1 -0.648 36.1-130.3 -75.8 116.5 73.5 34.7 25.3 11 11 A P >> - 0 0 45 0, 0.0 4,-1.1 0, 0.0 3,-0.5 -0.221 16.4-112.9 -65.5 157.0 75.2 38.1 25.0 12 12 A R T 34>S+ 0 0 40 1,-0.2 5,-2.3 2,-0.2 3,-0.5 0.884 115.1 58.6 -57.1 -42.0 73.1 41.3 24.4 13 13 A R T >45S+ 0 0 234 1,-0.2 3,-0.6 3,-0.2 -1,-0.2 0.861 103.7 52.9 -55.0 -39.5 74.5 41.8 20.9 14 14 A E T <45S+ 0 0 62 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.772 112.1 41.2 -75.1 -31.3 73.2 38.4 19.9 15 15 A W T 3<5S- 0 0 1 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.254 116.5-117.9 -95.9 15.2 69.5 38.9 21.0 16 16 A R T < 5 - 0 0 197 -3,-0.6 -3,-0.2 -4,-0.3 2,-0.1 0.861 45.6-176.4 53.4 50.8 69.9 42.4 19.6 17 17 A A < - 0 0 23 -5,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.416 27.0-110.6 -77.2 147.4 69.3 44.4 22.7 18 18 A L - 0 0 68 1,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.294 51.1 -79.0 -69.6 160.3 69.2 48.2 22.8 19 19 A A - 0 0 89 1,-0.1 2,-0.3 49,-0.1 -1,-0.2 -0.392 48.7-119.5 -64.5 133.2 72.1 50.0 24.5 20 20 A S - 0 0 50 1,-0.1 48,-0.2 -2,-0.1 -1,-0.1 -0.559 19.7-165.4 -75.7 137.4 71.9 50.0 28.2 21 21 A E + 0 0 171 46,-2.8 2,-0.3 -2,-0.3 47,-0.2 0.083 49.7 117.8-107.9 22.4 71.7 53.5 29.8 22 22 A b + 0 0 21 45,-0.3 -2,-0.1 1,-0.1 69,-0.0 -0.675 28.2 165.8 -95.4 147.0 72.4 52.3 33.4 23 23 A R + 0 0 223 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.539 41.3 109.1-129.3 -21.3 75.4 53.3 35.5 24 24 A E - 0 0 123 66,-0.1 66,-2.1 1,-0.1 2,-0.3 -0.454 56.6-148.8 -65.4 124.9 74.6 52.2 39.1 25 25 A R B -G 89 0B 177 -2,-0.3 2,-0.4 64,-0.2 64,-0.3 -0.737 10.1-126.4 -99.9 143.9 76.8 49.3 40.2 26 26 A L - 0 0 9 62,-2.3 2,-0.2 -2,-0.3 75,-0.1 -0.707 35.4-113.3 -81.3 127.8 75.8 46.5 42.6 27 27 A T - 0 0 115 73,-0.4 -1,-0.1 -2,-0.4 62,-0.0 -0.475 51.0 -86.5 -68.2 135.8 78.4 46.1 45.3 28 28 A R S S+ 0 0 104 -2,-0.2 2,-0.2 2,-0.1 108,-0.1 -0.729 98.9 31.2 -96.3 135.4 80.2 42.8 45.0 29 29 A P S S- 0 0 59 0, 0.0 2,-0.4 0, 0.0 108,-0.2 0.552 77.6-146.3 -79.4-179.7 79.6 40.0 46.0 30 30 A V E -b 137 0A 5 106,-1.7 108,-1.9 -2,-0.2 111,-0.2 -0.901 12.6-166.1-117.0 143.5 75.9 39.8 46.2 31 31 A R E + 0 0 12 70,-0.7 111,-3.2 -2,-0.4 2,-0.4 0.720 65.5 58.6 -99.2 -28.0 73.9 37.8 48.9 32 32 A Y E -bc 142 102A 8 69,-1.4 71,-2.8 109,-0.2 2,-0.5 -0.870 51.5-170.0-116.9 142.4 70.4 37.6 47.5 33 33 A V E -bc 143 103A 0 109,-2.6 111,-3.2 -2,-0.4 2,-0.5 -0.987 12.0-157.0-126.4 123.2 68.8 36.2 44.3 34 34 A V E -bc 144 104A 1 69,-2.8 71,-1.5 -2,-0.5 2,-0.4 -0.853 4.0-155.2-104.3 125.2 65.2 36.9 43.5 35 35 A V E +bc 145 105A 0 109,-2.6 111,-1.5 -2,-0.5 112,-0.3 -0.834 27.3 148.6-101.0 134.4 63.3 34.6 41.2 36 36 A S E - c 0 106A 3 69,-1.2 71,-2.1 -2,-0.4 2,-0.3 -0.912 36.8-122.6-150.0 172.3 60.3 36.0 39.3 37 37 A H E - c 0 107A 13 117,-1.1 71,-0.2 -2,-0.3 73,-0.1 -0.890 16.3-130.9-122.5 159.6 58.5 35.5 36.0 38 38 A T - 0 0 27 69,-1.9 72,-0.2 71,-0.4 70,-0.1 0.590 32.7-139.9 -82.3 -10.6 57.8 38.0 33.2 39 39 A A + 0 0 57 70,-1.6 71,-0.3 68,-0.3 2,-0.1 0.780 67.7 105.1 54.5 29.6 54.2 36.9 33.2 40 40 A G S S- 0 0 37 1,-0.2 70,-1.0 12,-0.0 2,-0.2 -0.237 79.4 -42.9-115.7-154.0 54.3 37.2 29.4 41 41 A S - 0 0 81 68,-0.2 -1,-0.2 -2,-0.1 2,-0.1 -0.533 53.3-135.0 -81.2 142.4 54.5 34.8 26.5 42 42 A H - 0 0 86 -2,-0.2 2,-0.3 68,-0.1 67,-0.1 -0.357 17.2-162.0 -88.3 173.0 56.8 31.7 26.6 43 43 A c - 0 0 7 65,-0.4 34,-0.9 -2,-0.1 65,-0.1 -0.984 18.7-169.3-154.2 151.8 59.2 30.5 23.8 44 44 A D + 0 0 86 -2,-0.3 175,-0.2 33,-0.1 -1,-0.1 0.426 66.6 76.4-122.3 -6.4 61.0 27.3 23.0 45 45 A T S > S- 0 0 31 172,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.866 77.4-129.5-111.1 147.8 63.3 28.2 20.2 46 46 A P H > S+ 0 0 4 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.806 111.5 54.1 -58.6 -26.5 66.5 30.1 20.6 47 47 A A H > S+ 0 0 67 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.919 111.1 39.9 -74.4 -48.3 65.1 32.4 17.8 48 48 A S H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.818 113.5 55.2 -73.3 -30.5 61.7 33.2 19.4 49 49 A c H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.801 102.3 56.2 -72.1 -30.7 63.2 33.6 22.8 50 50 A A H X S+ 0 0 19 -4,-1.0 4,-1.3 -5,-0.3 -1,-0.2 0.852 111.3 45.5 -68.0 -32.1 65.7 36.2 21.5 51 51 A Q H X S+ 0 0 126 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.910 109.6 53.8 -73.5 -44.0 62.6 38.1 20.3 52 52 A Q H X S+ 0 0 34 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.798 104.6 56.7 -60.4 -26.7 60.9 37.6 23.6 53 53 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.941 105.5 49.5 -68.5 -46.4 63.9 39.1 25.2 54 54 A Q H X S+ 0 0 62 -4,-1.3 4,-2.8 1,-0.2 -2,-0.2 0.870 107.4 55.3 -60.8 -38.9 63.6 42.2 23.1 55 55 A N H X S+ 0 0 76 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.927 108.3 46.2 -61.1 -49.9 59.9 42.7 24.0 56 56 A V H X S+ 0 0 17 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.932 116.5 46.0 -60.9 -43.7 60.4 42.6 27.7 57 57 A Q H X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.886 112.3 49.9 -66.9 -38.3 63.4 45.1 27.4 58 58 A S H X>S+ 0 0 43 -4,-2.8 4,-2.5 1,-0.2 5,-0.6 0.856 108.3 51.9 -70.8 -33.4 61.5 47.4 25.1 59 59 A Y H X>S+ 0 0 122 -4,-2.2 5,-1.1 1,-0.2 4,-0.8 0.851 113.1 47.1 -69.1 -32.2 58.5 47.6 27.3 60 60 A H H <5S+ 0 0 12 -4,-1.5 6,-2.6 -5,-0.2 -2,-0.2 0.796 121.8 34.4 -78.0 -29.8 60.8 48.5 30.1 61 61 A V H X5S+ 0 0 36 -4,-1.7 4,-0.6 4,-0.2 -2,-0.2 0.923 126.2 33.3 -89.9 -54.1 62.7 51.1 28.2 62 62 A R H <5S+ 0 0 177 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.704 132.1 27.1 -80.0 -20.4 60.1 52.7 25.9 63 63 A N T < - 0 0 0 4,-2.3 3,-1.4 -2,-0.5 47,-0.1 -0.558 28.6-127.2 -95.9 160.1 64.2 30.9 28.4 77 77 A E T 3 S+ 0 0 7 -34,-0.9 43,-0.1 1,-0.3 42,-0.1 0.428 106.3 76.3 -79.5 2.7 62.4 27.6 27.9 78 78 A D T 3 S- 0 0 0 2,-0.2 -1,-0.3 -33,-0.2 -34,-0.1 0.483 119.4-110.0 -86.0 -5.0 64.9 26.9 25.1 79 79 A G S < S+ 0 0 4 -3,-1.4 2,-0.4 1,-0.3 -2,-0.2 0.672 79.3 121.6 85.9 20.2 67.2 26.2 28.0 80 80 A L - 0 0 10 -4,-0.1 -4,-2.3 172,-0.0 2,-0.5 -0.928 58.2-132.1-122.6 140.9 69.4 29.3 27.5 81 81 A V E -aD 9 75A 6 -73,-0.8 -71,-3.2 -2,-0.4 2,-0.4 -0.746 21.3-152.3 -88.3 129.5 70.2 32.3 29.8 82 82 A Y E -aD 10 74A 3 -8,-3.6 -8,-3.0 -2,-0.5 2,-0.4 -0.849 18.3-118.7-104.3 136.3 69.8 35.6 28.2 83 83 A E E + D 0 73A 62 -73,-2.4 -10,-0.2 -2,-0.4 -68,-0.1 -0.608 41.2 158.9 -78.6 126.4 71.9 38.5 29.4 84 84 A G S S- 0 0 0 -12,-2.0 -12,-0.3 -2,-0.4 -11,-0.2 0.463 75.9 -23.7-108.1-109.9 70.1 41.5 30.8 85 85 A R S S- 0 0 27 -14,-1.6 4,-0.5 1,-0.2 3,-0.4 0.745 93.4-148.7 -80.1 -21.8 71.8 44.0 33.2 86 86 A G - 0 0 5 -14,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.319 34.9 -49.3 89.1-171.9 74.4 41.3 34.2 87 87 A W S S+ 0 0 28 1,-0.2 -1,-0.2 -2,-0.1 -14,-0.0 0.612 128.8 48.8 -76.9 -16.8 76.3 40.6 37.4 88 88 A N S S+ 0 0 57 -3,-0.4 -62,-2.3 -16,-0.1 2,-0.3 0.706 94.3 71.5-100.8 -22.3 77.6 44.2 37.8 89 89 A I B S-G 25 0B 32 -4,-0.5 -64,-0.2 -64,-0.3 2,-0.1 -0.769 74.9-119.6-105.3 144.4 74.6 46.6 37.4 90 90 A K - 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