==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 04-OCT-06 2IMQ . COMPND 2 MOLECULE: SALIVARY NITROPHORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CIMEX LECTULARIUS; . AUTHOR A.WEICHSEL,W.R.MONTFORT . 280 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 0 2 3 1 1 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 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 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 3 X P 0 0 141 0, 0.0 91,-0.0 0, 0.0 122,-0.0 0.000 360.0 360.0 360.0 103.8 -21.4 17.6 13.1 2 4 X P - 0 0 45 0, 0.0 278,-0.1 0, 0.0 3,-0.1 -0.255 360.0-124.9 -69.9 161.6 -20.1 14.0 13.6 3 5 X A S S+ 0 0 75 1,-0.2 277,-2.4 277,-0.1 2,-0.3 0.866 89.5 15.2 -72.1 -39.8 -20.0 12.6 17.1 4 6 X Q E -A 279 0A 90 275,-0.2 2,-0.3 276,-0.1 275,-0.2 -0.939 59.7-161.9-135.4 159.2 -16.2 11.7 16.8 5 7 X L E -A 278 0A 4 273,-2.1 273,-3.2 -2,-0.3 2,-0.4 -0.963 17.0-131.9-134.3 156.2 -13.2 12.4 14.7 6 8 X S E -A 277 0A 29 -2,-0.3 31,-1.8 271,-0.2 30,-0.8 -0.856 17.8-168.2-109.7 144.3 -9.9 10.6 14.3 7 9 X V E -Ab 276 37A 0 269,-2.3 269,-3.0 -2,-0.4 2,-0.4 -0.997 4.9-164.9-131.9 130.6 -6.5 12.3 14.4 8 10 X H E -Ab 275 38A 7 29,-2.4 31,-2.3 -2,-0.4 2,-0.4 -0.975 10.7-174.6-110.6 135.2 -3.1 10.8 13.4 9 11 X T E -Ab 274 39A 2 265,-2.6 265,-2.7 -2,-0.4 2,-0.4 -0.975 4.2-177.6-123.4 145.1 0.1 12.6 14.4 10 12 X V E -Ab 273 40A 3 29,-2.2 31,-2.7 -2,-0.4 2,-0.4 -0.995 0.9-179.6-136.8 137.7 3.6 11.8 13.6 11 13 X S E -Ab 272 41A 3 261,-1.9 261,-2.5 -2,-0.4 2,-0.3 -0.980 0.7-179.4-133.2 155.8 6.8 13.3 14.6 12 14 X W E - b 0 42A 11 29,-1.9 31,-1.8 -2,-0.4 2,-1.6 -0.946 29.9-143.3-152.7 123.6 10.4 12.7 13.8 13 15 X N E + b 0 43A 15 -2,-0.3 256,-0.4 29,-0.2 31,-0.2 -0.739 40.0 165.6 -81.5 90.3 13.6 14.2 14.9 14 16 X S E > - 0 0 7 -2,-1.6 3,-2.2 29,-1.4 30,-0.2 0.584 17.1-167.9 -94.9 -12.7 14.9 13.7 11.4 15 17 X G E 3 S- b 0 44A 14 28,-2.0 30,-1.8 1,-0.3 -1,-0.2 -0.439 71.2 -16.0 69.2-126.5 18.0 15.9 11.5 16 18 X H T 3 S+ 0 0 158 -2,-0.2 -1,-0.3 28,-0.2 2,-0.2 0.328 105.0 124.1 -94.3 6.7 19.5 16.4 8.0 17 19 X E < - 0 0 60 -3,-2.2 -3,-0.1 1,-0.1 28,-0.1 -0.461 59.9-125.2 -76.0 135.7 17.5 13.5 6.5 18 20 X R - 0 0 178 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.322 40.2 -85.5 -64.8 153.3 15.2 14.1 3.6 19 21 X A - 0 0 27 35,-0.1 -1,-0.1 1,-0.1 4,-0.1 -0.364 49.0-113.6 -56.4 140.7 11.6 13.0 3.8 20 22 X P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.266 11.1-136.2 -69.4 163.8 11.1 9.4 2.9 21 23 X T S S+ 0 0 116 1,-0.1 2,-0.9 2,-0.0 -2,-0.1 0.679 91.0 76.1 -97.1 -20.7 9.1 8.6 -0.3 22 24 X N + 0 0 84 1,-0.2 4,-0.4 2,-0.1 -1,-0.1 -0.800 57.6 155.2 -92.3 99.2 7.1 5.8 1.4 23 25 X L > + 0 0 8 -2,-0.9 4,-1.9 2,-0.2 6,-0.2 0.623 47.6 78.5-110.2 -20.1 4.6 7.9 3.4 24 26 X E H >>S+ 0 0 76 1,-0.2 5,-3.0 2,-0.2 6,-0.7 0.926 100.1 45.0 -58.6 -45.0 1.5 5.8 3.9 25 27 X E H >45S+ 0 0 42 4,-0.2 3,-1.2 1,-0.2 -1,-0.2 0.922 109.7 55.6 -63.3 -44.1 3.2 3.9 6.7 26 28 X L H 345S+ 0 0 8 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 113.3 41.9 -56.0 -36.3 4.6 7.1 8.3 27 29 X L H 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.433 115.6-110.8 -98.5 2.9 1.1 8.6 8.5 28 30 X G T <<5S+ 0 0 0 -3,-1.2 5,-0.3 -4,-0.5 -3,-0.2 0.809 84.8 118.3 76.5 30.2 -0.7 5.4 9.6 29 31 X L > < + 0 0 4 -5,-3.0 3,-1.7 -6,-0.2 -4,-0.2 0.445 41.4 93.6-105.4 -6.8 -2.6 5.0 6.3 30 32 X N T 3 S+ 0 0 92 -6,-0.7 -1,-0.1 1,-0.3 -5,-0.1 0.438 83.4 51.6 -76.8 -3.2 -1.2 1.6 5.3 31 33 X S T 3 S- 0 0 84 -3,-0.2 -1,-0.3 -7,-0.2 -2,-0.1 0.178 124.2 -96.4-114.2 15.0 -4.0 -0.5 6.8 32 34 X G S < S+ 0 0 62 -3,-1.7 -2,-0.1 1,-0.3 -3,-0.1 0.466 71.8 149.7 90.3 7.4 -6.7 1.5 5.1 33 35 X E - 0 0 80 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.409 33.2-155.9 -74.0 155.0 -7.6 3.9 7.9 34 36 X T - 0 0 105 -2,-0.1 -28,-0.2 55,-0.0 -1,-0.1 -0.691 14.1-165.7-132.0 71.0 -8.9 7.4 6.8 35 37 X P - 0 0 0 0, 0.0 -28,-0.2 0, 0.0 3,-0.1 -0.252 20.9-135.9 -66.6 151.9 -8.3 9.8 9.7 36 38 X D S S+ 0 0 22 -30,-0.8 53,-2.5 1,-0.2 2,-0.4 0.869 88.0 25.9 -71.5 -36.5 -10.0 13.2 9.7 37 39 X V E -bC 7 88A 0 -31,-1.8 -29,-2.4 51,-0.2 2,-0.4 -0.980 64.1-171.0-131.5 138.2 -6.9 15.2 10.7 38 40 X I E -bC 8 87A 1 49,-2.5 49,-3.2 -2,-0.4 2,-0.4 -1.000 2.7-171.2-129.6 132.2 -3.2 14.4 10.2 39 41 X A E -bC 9 86A 0 -31,-2.3 -29,-2.2 -2,-0.4 2,-0.4 -0.987 2.0-167.6-123.6 136.1 -0.4 16.4 11.7 40 42 X V E -bC 10 85A 15 45,-2.6 45,-2.3 -2,-0.4 2,-0.4 -0.991 6.5-178.0-123.5 121.9 3.3 16.0 10.8 41 43 X A E -bC 11 84A 1 -31,-2.7 -29,-1.9 -2,-0.4 2,-0.3 -0.967 1.8-178.5-123.5 136.1 6.1 17.5 12.9 42 44 X V E -bC 12 83A 37 41,-2.5 41,-2.1 -2,-0.4 2,-0.4 -0.945 12.0-160.0-130.3 151.3 9.8 17.3 12.2 43 45 X Q E +bC 13 82A 22 -31,-1.8 -28,-2.0 -2,-0.3 -29,-1.4 -0.996 41.4 96.2-126.1 140.6 12.9 18.6 13.9 44 46 X G E -b 15 0A 1 37,-2.5 2,-0.4 -2,-0.4 -28,-0.2 -0.848 61.4 -56.4 178.2-144.0 16.2 19.0 12.2 45 47 X F S S+ 0 0 83 -30,-1.8 36,-0.2 -2,-0.3 35,-0.1 -0.994 92.0 5.2-140.0 135.9 18.5 21.4 10.4 46 48 X G > + 0 0 23 34,-0.7 4,-2.5 -2,-0.4 5,-0.4 0.626 68.5 140.6 78.3 18.3 18.4 23.7 7.5 47 49 X F T 4 S+ 0 0 46 33,-1.7 33,-0.2 2,-0.2 8,-0.1 0.910 73.7 40.6 -58.6 -49.0 14.7 23.4 6.5 48 50 X Q T 4 S+ 0 0 108 31,-0.5 -1,-0.2 1,-0.2 32,-0.1 0.951 119.2 43.6 -69.5 -54.2 14.1 27.1 5.7 49 51 X T T 4 S- 0 0 96 1,-0.1 -2,-0.2 31,-0.0 -1,-0.2 0.950 89.9-167.9 -51.4 -48.9 17.4 27.8 3.9 50 52 X D >< + 0 0 25 -4,-2.5 3,-1.6 30,-0.1 5,-0.1 0.897 18.1 169.1 55.9 51.7 16.8 24.4 2.2 51 53 X K T 3 S+ 0 0 190 -5,-0.4 -4,-0.1 1,-0.3 -1,-0.1 0.869 76.4 55.9 -56.1 -41.0 20.3 24.0 0.7 52 54 X P T 3 S- 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.638 104.0-134.5 -64.3 -12.5 19.6 20.4 -0.2 53 55 X Q < + 0 0 130 -3,-1.6 4,-0.2 1,-0.1 -2,-0.1 0.973 60.9 136.8 48.9 60.8 16.5 21.6 -2.2 54 56 X Q > + 0 0 40 -7,-0.1 4,-2.1 2,-0.1 3,-0.3 0.540 44.2 86.9-107.3 -17.2 14.3 18.9 -0.7 55 57 X G H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.927 85.1 56.1 -43.5 -55.8 11.4 21.2 -0.1 56 58 X P H > S+ 0 0 80 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.879 108.2 46.5 -49.6 -43.2 10.1 20.6 -3.7 57 59 X A H > S+ 0 0 39 -3,-0.3 4,-2.8 -4,-0.2 5,-0.3 0.858 109.2 55.4 -70.5 -34.3 9.9 16.7 -3.2 58 60 X C H X S+ 0 0 34 -4,-2.1 4,-2.5 2,-0.2 5,-0.4 0.964 111.6 43.3 -59.2 -50.9 8.2 17.1 0.1 59 61 X V H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 5,-0.4 0.958 115.8 48.4 -62.8 -48.5 5.5 19.1 -1.4 60 62 X K H X S+ 0 0 142 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.941 117.0 39.7 -57.4 -49.7 5.1 16.9 -4.5 61 63 X N H X S+ 0 0 53 -4,-2.8 4,-1.9 2,-0.2 5,-0.2 0.887 118.2 44.6 -76.1 -39.2 5.0 13.6 -2.6 62 64 X F H X S+ 0 0 21 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.952 117.5 45.6 -66.2 -44.6 2.9 14.6 0.3 63 65 X Q H X S+ 0 0 53 -4,-2.4 4,-2.2 -5,-0.4 5,-0.4 0.924 110.8 54.6 -69.2 -40.3 0.4 16.5 -1.9 64 66 X S H X S+ 0 0 78 -4,-2.7 4,-0.8 -5,-0.4 -1,-0.2 0.927 115.8 37.3 -52.4 -50.1 0.3 13.6 -4.4 65 67 X L H X S+ 0 0 32 -4,-1.9 4,-0.6 -5,-0.1 -2,-0.2 0.926 121.9 41.8 -71.6 -42.8 -0.6 11.0 -1.7 66 68 X L H <>S+ 0 0 2 -4,-2.7 5,-2.2 -5,-0.2 3,-0.5 0.849 105.6 57.4 -84.6 -33.4 -3.0 13.1 0.4 67 69 X T H ><5S+ 0 0 90 -4,-2.2 3,-1.8 -5,-0.3 -1,-0.2 0.931 103.9 55.3 -61.8 -44.1 -5.0 15.1 -2.2 68 70 X S H 3<5S+ 0 0 99 -4,-0.8 -1,-0.2 -5,-0.4 -2,-0.2 0.779 106.5 53.1 -56.5 -28.4 -6.2 11.8 -3.8 69 71 X K T 3<5S- 0 0 81 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.413 125.6 -99.7 -91.1 0.0 -7.5 10.8 -0.3 70 72 X G T < 5S+ 0 0 35 -3,-1.8 20,-2.9 -4,-0.3 21,-0.4 0.546 72.2 143.7 97.0 13.3 -9.5 13.9 0.2 71 73 X Y E < -D 89 0A 12 -5,-2.2 2,-0.4 18,-0.3 -1,-0.3 -0.599 35.9-155.5 -88.7 147.1 -7.2 16.0 2.4 72 74 X T E -D 88 0A 41 16,-3.1 16,-2.5 -2,-0.3 2,-0.7 -0.965 22.6-126.7-109.5 135.4 -6.7 19.7 2.4 73 75 X K E -D 87 0A 79 -2,-0.4 14,-0.3 14,-0.2 3,-0.2 -0.707 23.4-172.9 -80.2 109.3 -3.3 21.1 3.7 74 76 X L E - 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