==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 02-JAN-11 3Q6K . COMPND 2 MOLECULE: 43.2 KDA SALIVARY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LUTZOMYIA LONGIPALPIS; . AUTHOR J.F.ANDERSEN,X.XU,B.W.CHANG,N.COLLIN,J.G.VALENZUELA,J.M.RIBE . 761 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 238 31.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.1 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 . 77 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 6 18 10 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 . 2 0 12 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 A 0 0 83 0, 0.0 2,-0.1 0, 0.0 370,-0.1 0.000 360.0 360.0 360.0 -27.1 49.5 -3.0 -39.9 2 2 A D - 0 0 130 316,-0.0 2,-0.4 368,-0.0 364,-0.3 -0.461 360.0-160.4 -64.3 147.0 52.3 -0.5 -40.8 3 3 A T - 0 0 55 -2,-0.1 2,-0.3 362,-0.1 362,-0.2 -0.973 16.5-166.1-131.1 150.1 51.8 3.0 -39.5 4 4 A Q E +A 364 0A 79 360,-1.9 360,-3.2 -2,-0.4 2,-0.3 -0.913 39.4 97.7-118.8 156.6 53.1 6.4 -40.3 5 5 A G E -A 363 0A 12 -2,-0.3 2,-0.3 358,-0.2 358,-0.2 -0.971 57.4 -57.2 159.2-169.3 52.6 9.3 -38.0 6 6 A Y E -A 362 0A 1 356,-1.3 356,-2.7 -2,-0.3 2,-0.3 -0.702 25.4-170.7-110.9 155.8 53.7 11.7 -35.2 7 7 A K E -A 361 0A 83 63,-2.7 2,-0.4 -2,-0.3 354,-0.2 -0.980 7.6-171.6-141.4 129.5 54.9 11.4 -31.6 8 8 A W E -A 360 0A 6 352,-2.9 352,-2.0 -2,-0.3 351,-0.2 -0.969 25.5-168.7-128.2 129.0 55.5 14.3 -29.1 9 9 A K S S+ 0 0 144 -2,-0.4 2,-0.3 1,-0.3 350,-0.3 0.891 95.4 2.5 -62.3 -43.5 57.0 14.4 -25.6 10 10 A Q S S- 0 0 71 -3,-0.1 2,-1.0 349,-0.1 -1,-0.3 -0.988 78.9-116.2-145.3 148.9 55.5 17.9 -25.5 11 11 A L - 0 0 0 12,-0.8 2,-0.3 15,-0.5 15,-0.1 -0.764 40.2-172.4 -90.2 100.4 53.4 19.9 -27.8 12 12 A L - 0 0 71 -2,-1.0 62,-3.1 60,-0.2 2,-0.4 -0.699 13.2-133.1 -95.6 148.9 55.7 22.8 -28.8 13 13 A Y B > -d 74 0B 11 -2,-0.3 3,-0.6 60,-0.2 2,-0.3 -0.833 9.6-126.8-106.8 141.8 54.5 25.8 -30.8 14 14 A N T 3 S+ 0 0 57 60,-3.2 62,-0.2 -2,-0.4 3,-0.1 -0.629 91.4 8.4 -76.8 137.9 56.1 27.5 -33.7 15 15 A N T 3 S+ 0 0 139 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.883 93.2 121.2 57.8 46.0 56.5 31.3 -33.3 16 16 A V S < S- 0 0 29 -3,-0.6 -1,-0.2 5,-0.0 -3,-0.1 -0.983 75.8 -99.7-134.9 124.5 55.5 31.6 -29.7 17 17 A T > - 0 0 107 -2,-0.4 3,-1.8 1,-0.1 4,-0.1 -0.152 42.7-113.8 -43.8 120.7 58.1 33.1 -27.3 18 18 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.407 100.8 25.7 -57.2 135.9 59.8 30.2 -25.5 19 19 A G T 3 S+ 0 0 78 2,-0.5 -2,-0.1 -3,-0.1 3,-0.1 0.273 89.2 103.2 95.9 -8.1 59.0 30.3 -21.8 20 20 A S S < S+ 0 0 60 -3,-1.8 2,-0.3 1,-0.1 -3,-0.1 0.280 91.9 21.1 -89.9 8.7 55.7 32.1 -22.2 21 21 A Y S S- 0 0 20 -4,-0.1 -2,-0.5 -5,-0.1 29,-0.1 -0.924 84.0-110.6-162.9 154.0 53.9 28.8 -21.6 22 22 A N > - 0 0 70 27,-0.4 3,-1.8 -2,-0.3 4,-0.4 -0.828 21.0-149.9 -90.8 118.1 54.7 25.4 -20.0 23 23 A P G > S+ 0 0 30 0, 0.0 -12,-0.8 0, 0.0 3,-0.6 0.728 94.9 62.5 -64.0 -19.9 54.9 22.8 -22.8 24 24 A D G 3 S+ 0 0 90 1,-0.2 -2,-0.0 -14,-0.1 0, 0.0 0.741 98.0 58.8 -73.8 -19.2 53.7 20.0 -20.4 25 25 A N G < S+ 0 0 28 -3,-1.8 2,-1.1 24,-0.1 23,-0.4 0.539 79.3 96.0 -83.7 -9.1 50.4 21.9 -20.0 26 26 A M < + 0 0 0 -3,-0.6 2,-0.7 -4,-0.4 -15,-0.5 -0.711 57.3 177.5 -84.3 99.5 49.6 21.8 -23.7 27 27 A I - 0 0 4 -2,-1.1 2,-0.3 18,-0.4 20,-0.1 -0.890 17.5-154.3-113.8 110.6 47.3 18.7 -23.8 28 28 A S + 0 0 1 -2,-0.7 16,-0.2 16,-0.2 3,-0.1 -0.631 15.8 175.7 -85.3 136.8 45.8 17.6 -27.1 29 29 A T + 0 0 13 14,-1.7 2,-0.3 -2,-0.3 -1,-0.1 0.502 63.4 9.2-115.5 -10.7 42.6 15.7 -26.8 30 30 A A E -E 43 0C 0 13,-0.9 13,-2.6 298,-0.1 2,-0.3 -0.996 53.8-164.3-166.8 159.7 41.7 15.3 -30.5 31 31 A F E -E 42 0C 0 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.893 6.1-158.7-140.1 175.4 42.7 15.8 -34.1 32 32 A A E -E 41 0C 4 9,-1.9 9,-3.0 -2,-0.3 2,-0.5 -0.882 13.0-150.2-156.0 130.0 41.3 15.9 -37.6 33 33 A Y E -E 40 0C 20 -2,-0.3 2,-0.8 7,-0.2 300,-0.3 -0.900 3.0-153.8-103.9 130.7 43.2 15.3 -40.8 34 34 A D E >> -E 39 0C 2 5,-3.2 5,-1.8 -2,-0.5 4,-0.7 -0.914 10.8-170.9 -98.4 105.7 42.3 16.9 -44.1 35 35 A A T >45S+ 0 0 8 -2,-0.8 3,-0.7 1,-0.2 -1,-0.2 0.923 80.9 51.5 -70.6 -42.2 43.6 14.5 -46.7 36 36 A E T 345S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.874 118.9 37.5 -59.1 -38.8 43.0 16.8 -49.8 37 37 A G T 345S- 0 0 22 2,-0.1 -1,-0.2 24,-0.0 -2,-0.2 0.469 102.2-128.4 -93.2 -2.8 44.9 19.7 -48.1 38 38 A E T <<5 + 0 0 69 -3,-0.7 22,-1.9 -4,-0.7 23,-0.6 0.882 62.6 141.8 48.0 45.2 47.6 17.7 -46.4 39 39 A K E < -EF 34 59C 33 -5,-1.8 -5,-3.2 20,-0.2 2,-0.5 -0.929 41.2-156.0-119.9 139.1 46.6 19.5 -43.1 40 40 A L E -EF 33 58C 0 18,-2.8 18,-2.5 -2,-0.4 2,-0.4 -0.945 7.2-162.6-113.9 130.1 46.4 18.3 -39.6 41 41 A F E -EF 32 57C 0 -9,-3.0 -9,-1.9 -2,-0.5 2,-0.4 -0.931 5.9-166.5-112.5 135.5 44.3 20.0 -37.0 42 42 A L E -EF 31 56C 1 14,-2.8 14,-2.6 -2,-0.4 2,-0.6 -0.980 15.6-139.1-125.7 130.7 44.8 19.5 -33.3 43 43 A A E +EF 30 55C 0 -13,-2.6 -14,-1.7 -2,-0.4 -13,-0.9 -0.806 21.9 175.0 -84.8 122.8 42.5 20.4 -30.4 44 44 A V - 0 0 0 10,-2.7 45,-0.2 -2,-0.6 -16,-0.2 -0.852 22.6-150.4-123.8 88.8 44.4 21.8 -27.4 45 45 A P > - 0 0 3 0, 0.0 2,-2.4 0, 0.0 3,-0.5 -0.221 23.2-113.1 -62.5 151.2 41.7 22.9 -24.9 46 46 A R T 3 S+ 0 0 0 1,-0.2 63,-2.5 61,-0.2 64,-0.3 -0.424 72.0 131.8 -85.5 69.3 42.4 25.7 -22.6 47 47 A K T 3 S+ 0 0 49 -2,-2.4 -1,-0.2 -22,-0.2 -21,-0.1 0.817 71.3 31.2 -86.8 -37.0 42.3 23.4 -19.6 48 48 A L S X S- 0 0 36 -3,-0.5 3,-0.6 -23,-0.4 62,-0.1 -0.768 103.9 -75.4-122.1 163.7 45.6 24.7 -18.2 49 49 A P T 3 S+ 0 0 8 0, 0.0 -27,-0.4 0, 0.0 65,-0.1 -0.254 98.7 19.4 -70.6 150.0 47.1 28.2 -18.4 50 50 A R T 3 + 0 0 99 63,-0.3 3,-0.1 1,-0.2 64,-0.1 0.688 61.7 165.6 80.1 29.6 48.8 29.9 -21.4 51 51 A V < - 0 0 0 -3,-0.6 -1,-0.2 1,-0.2 3,-0.2 -0.664 20.5-162.5 -75.7 113.3 47.6 27.8 -24.4 52 52 A P S S+ 0 0 18 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.852 75.4 16.4 -68.9 -36.9 48.5 30.1 -27.3 53 53 A Y - 0 0 34 1,-0.1 3,-0.1 -3,-0.1 31,-0.1 -0.956 54.3-171.6-142.6 119.5 46.3 28.4 -29.9 54 54 A T S S+ 0 0 3 29,-0.4 -10,-2.7 -2,-0.4 2,-0.6 0.773 90.5 47.8 -81.8 -30.1 43.4 26.0 -29.0 55 55 A L E S+F 43 0C 1 -12,-0.2 22,-0.9 31,-0.1 2,-0.3 -0.965 83.7 179.4-104.9 113.2 42.9 25.1 -32.6 56 56 A A E -FG 42 76C 0 -14,-2.6 -14,-2.8 -2,-0.6 2,-0.3 -0.883 10.8-157.3-118.8 147.1 46.4 24.3 -33.9 57 57 A E E -FG 41 75C 11 18,-2.4 18,-2.0 -2,-0.3 2,-0.4 -0.925 7.4-168.3-122.9 149.2 47.5 23.2 -37.4 58 58 A V E -F 40 0C 3 -18,-2.5 -18,-2.8 -2,-0.3 2,-0.7 -0.999 24.0-130.3-129.1 138.7 50.4 21.3 -38.9 59 59 A D E > -F 39 0C 72 -2,-0.4 4,-0.6 -20,-0.2 3,-0.2 -0.775 20.0-171.1 -78.9 113.6 51.4 20.9 -42.6 60 60 A T H > + 0 0 1 -22,-1.9 4,-1.4 -2,-0.7 -21,-0.1 0.416 63.2 93.3 -87.8 -2.4 52.0 17.2 -43.1 61 61 A K H 4 S+ 0 0 120 -23,-0.6 -1,-0.2 2,-0.2 -22,-0.1 0.967 97.0 29.4 -55.4 -63.8 53.4 17.6 -46.6 62 62 A N H 4 S+ 0 0 112 -3,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.989 130.1 37.8 -50.0 -62.5 57.0 17.7 -45.5 63 63 A S H >< S+ 0 0 13 -4,-0.6 3,-2.9 2,-0.1 6,-0.3 0.835 76.7 101.7 -76.1 -54.7 56.7 15.6 -42.3 64 64 A L T 3< S- 0 0 24 -4,-1.4 3,-0.1 1,-0.3 6,-0.1 -0.067 105.3 -5.0 -49.4 126.4 54.3 12.6 -42.6 65 65 A G T 3 S+ 0 0 33 1,-0.2 2,-0.6 -60,-0.1 -1,-0.3 0.387 101.1 127.6 74.2 -2.3 56.3 9.4 -43.0 66 66 A V X - 0 0 64 -3,-2.9 3,-1.9 3,-0.2 -1,-0.2 -0.784 65.2-118.1 -93.5 120.9 59.6 11.3 -43.3 67 67 A K T 3 S+ 0 0 197 -2,-0.6 -1,-0.0 1,-0.2 -3,-0.0 -0.345 97.9 23.4 -59.8 127.6 62.3 10.0 -41.0 68 68 A G T 3 S+ 0 0 70 -2,-0.1 3,-0.3 0, 0.0 -1,-0.2 0.091 103.2 84.1 104.8 -19.0 63.4 12.8 -38.5 69 69 A K < + 0 0 107 -3,-1.9 -3,-0.2 -6,-0.3 -2,-0.1 -0.208 47.0 123.7-108.6 39.7 60.2 14.8 -38.7 70 70 A H S S+ 0 0 75 1,-0.2 -63,-2.7 -64,-0.1 -1,-0.2 0.624 72.4 47.3 -76.7 -14.1 58.1 12.9 -36.1 71 71 A S S S- 0 0 73 -3,-0.3 -1,-0.2 -65,-0.2 -59,-0.1 -0.573 74.6-173.2-127.9 70.3 57.4 15.9 -33.8 72 72 A P - 0 0 17 0, 0.0 -60,-0.2 0, 0.0 2,-0.2 -0.261 30.1-109.1 -63.1 149.7 56.2 18.9 -35.9 73 73 A L - 0 0 75 -62,-0.1 2,-0.3 1,-0.1 -60,-0.2 -0.504 34.6-113.5 -73.1 146.8 55.8 22.2 -34.2 74 74 A L B -d 13 0B 0 -62,-3.1 -60,-3.2 -2,-0.2 2,-0.3 -0.654 33.6-159.7 -83.6 140.5 52.2 23.4 -33.7 75 75 A N E -G 57 0C 52 -18,-2.0 -18,-2.4 -2,-0.3 3,-0.1 -0.805 26.9 -90.9-114.2 159.6 51.1 26.5 -35.7 76 76 A K E -G 56 0C 69 -2,-0.3 2,-0.2 -62,-0.2 -20,-0.2 -0.337 57.9 -91.2 -53.8 141.5 48.2 29.0 -35.3 77 77 A F > - 0 0 0 -22,-0.9 3,-2.4 1,-0.1 -1,-0.1 -0.456 33.3-130.2 -57.7 129.7 45.1 28.0 -37.3 78 78 A S T 3 S+ 0 0 54 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.746 107.1 59.4 -61.8 -24.5 45.5 29.5 -40.7 79 79 A G T 3 S+ 0 0 26 57,-0.1 2,-0.3 54,-0.0 -1,-0.3 0.255 99.1 79.5 -82.9 11.6 41.9 30.9 -40.4 80 80 A H < - 0 0 11 -3,-2.4 -4,-0.0 1,-0.1 54,-0.0 -0.907 51.3-171.3-124.0 152.2 42.9 32.9 -37.3 81 81 A K S S+ 0 0 180 -2,-0.3 -1,-0.1 -5,-0.0 -5,-0.1 0.850 86.3 6.4 -98.9 -54.1 44.8 36.1 -36.5 82 82 A T S S- 0 0 79 -6,-0.0 -2,-0.1 0, 0.0 -6,-0.0 0.826 89.9-112.3-104.1 -40.2 45.3 36.2 -32.7 83 83 A G S S+ 0 0 3 -30,-0.1 -29,-0.4 -6,-0.0 3,-0.3 0.305 96.3 95.8 111.3 -3.1 44.2 32.9 -31.2 84 84 A K + 0 0 101 1,-0.2 3,-0.1 -31,-0.1 -31,-0.1 0.314 55.5 90.2 -97.8 5.9 41.3 34.5 -29.3 85 85 A E S S+ 0 0 54 1,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.722 97.4 33.7 -77.0 -21.7 38.8 33.6 -32.1 86 86 A L S S- 0 0 1 -3,-0.3 -32,-0.3 1,-0.2 -1,-0.2 -0.992 71.1-162.4-128.8 137.7 38.1 30.3 -30.3 87 87 A T S S- 0 0 6 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.958 70.5 -18.0 -83.8 -61.1 38.3 30.2 -26.5 88 88 A S - 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