==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 27-FEB-04 1SI6 . 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) . 12885.0 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.9 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 1 0 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 0 148 0, 0.0 122,-0.0 0, 0.0 279,-0.0 0.000 360.0 360.0 360.0 142.2 -21.9 17.9 12.9 2 4 X P - 0 0 45 0, 0.0 278,-0.2 0, 0.0 3,-0.1 -0.204 360.0-134.4 -72.4 152.4 -20.2 14.5 13.6 3 5 X A S S+ 0 0 73 1,-0.1 277,-2.4 277,-0.1 2,-0.3 0.921 87.8 7.8 -62.7 -50.6 -20.1 12.8 17.0 4 6 X Q E -A 279 0A 94 275,-0.2 2,-0.3 276,-0.1 275,-0.2 -0.887 58.7-160.3-135.6 159.5 -16.4 12.0 16.6 5 7 X L E -A 278 0A 4 273,-1.9 273,-2.6 -2,-0.3 2,-0.4 -0.964 19.4-129.5-135.0 155.6 -13.3 12.7 14.4 6 8 X S E -A 277 0A 28 -2,-0.3 31,-1.7 271,-0.2 30,-0.6 -0.835 19.0-167.9-109.4 146.5 -10.0 10.9 14.1 7 9 X V E -Ab 276 37A 0 269,-2.4 269,-3.0 -2,-0.4 2,-0.4 -0.999 4.2-166.5-135.8 128.6 -6.6 12.5 14.2 8 10 X H E -Ab 275 38A 6 29,-2.3 31,-2.2 -2,-0.4 2,-0.4 -0.978 9.5-174.9-111.3 139.7 -3.2 11.0 13.3 9 11 X T E -Ab 274 39A 2 265,-2.6 265,-2.6 -2,-0.4 2,-0.4 -0.977 4.1-177.0-130.2 142.7 0.0 12.7 14.3 10 12 X V E -Ab 273 40A 3 29,-2.1 31,-2.6 -2,-0.4 2,-0.4 -0.999 1.4-179.9-137.0 138.0 3.6 11.8 13.5 11 13 X S E +Ab 272 41A 3 261,-1.9 261,-2.3 -2,-0.4 2,-0.3 -0.980 0.3 179.5-134.2 152.5 6.8 13.3 14.6 12 14 X W E - b 0 42A 11 29,-1.7 31,-1.9 -2,-0.4 2,-1.6 -0.941 31.7-143.0-152.0 127.0 10.4 12.6 13.8 13 15 X N E + b 0 43A 15 -2,-0.3 256,-0.4 29,-0.2 31,-0.2 -0.757 40.6 164.2 -84.7 88.4 13.6 14.0 14.8 14 16 X S E > - 0 0 6 -2,-1.6 3,-2.2 29,-1.3 2,-0.4 0.625 16.3-171.5 -93.2 -13.6 14.9 13.3 11.3 15 17 X G E 3 S- b 0 44A 12 28,-1.9 30,-1.8 1,-0.3 -1,-0.2 -0.486 70.6 -11.0 66.0-115.5 18.0 15.6 11.4 16 18 X H T 3 S+ 0 0 164 -2,-0.4 -1,-0.3 28,-0.2 28,-0.1 0.411 104.4 117.7 -95.5 -5.0 19.5 15.7 7.9 17 19 X E < - 0 0 69 -3,-2.2 2,-0.1 1,-0.1 -3,-0.1 -0.314 60.4-125.5 -77.4 149.5 17.4 13.0 6.3 18 20 X R - 0 0 184 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.459 40.0 -82.3 -78.7 160.5 15.0 13.6 3.4 19 21 X A - 0 0 23 35,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.346 54.8-120.7 -55.3 143.4 11.4 12.5 3.4 20 22 X P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.487 8.8-117.0 -96.7 166.4 10.9 8.8 2.6 21 23 X T S S+ 0 0 144 1,-0.2 2,-1.2 -2,-0.2 3,-0.2 0.827 99.7 62.3 -74.0 -39.1 9.0 7.0 -0.2 22 24 X N > + 0 0 74 1,-0.2 4,-0.8 2,-0.1 -1,-0.2 -0.759 55.8 158.6 -92.6 90.1 6.4 5.0 1.8 23 25 X L H > + 0 0 7 -2,-1.2 4,-2.0 2,-0.2 6,-0.2 0.639 61.9 74.1 -85.1 -21.3 4.4 7.8 3.4 24 26 X E H 4>S+ 0 0 74 2,-0.2 5,-3.1 1,-0.2 6,-0.9 0.899 100.0 43.8 -58.9 -42.8 1.4 5.6 4.0 25 27 X E H >45S+ 0 0 34 4,-0.2 3,-1.2 3,-0.2 -1,-0.2 0.937 111.8 54.7 -65.3 -45.3 3.2 3.8 6.8 26 28 X L H 3<5S+ 0 0 9 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.833 115.1 38.9 -55.1 -38.7 4.5 7.1 8.2 27 29 X L T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 246,-0.1 -2,-0.2 0.404 114.2-111.9 -98.2 1.9 1.0 8.6 8.4 28 30 X G T < 5S+ 0 0 0 -3,-1.2 5,-0.2 -4,-0.4 3,-0.2 0.799 82.5 121.5 69.7 37.6 -0.8 5.4 9.6 29 31 X L > < + 0 0 3 -5,-3.1 3,-1.8 -6,-0.2 -4,-0.2 0.419 40.2 98.1-106.1 -2.2 -2.8 5.0 6.3 30 32 X N T 3 S+ 0 0 90 -6,-0.9 -1,-0.1 1,-0.3 -5,-0.1 0.451 81.9 49.4 -72.6 -5.7 -1.4 1.4 5.5 31 33 X S T 3 S- 0 0 86 -3,-0.2 -1,-0.3 -7,-0.2 -2,-0.1 0.064 125.4 -97.4-116.3 21.1 -4.3 -0.5 6.9 32 34 X G < + 0 0 61 -3,-1.8 -2,-0.1 1,-0.2 -3,-0.1 0.528 69.5 154.7 78.7 11.6 -6.8 1.7 5.0 33 35 X E - 0 0 76 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.332 31.7-153.2 -69.0 154.6 -7.8 4.1 7.8 34 36 X T - 0 0 101 -2,-0.0 -28,-0.2 3,-0.0 -1,-0.1 -0.697 13.6-164.7-131.7 75.8 -9.0 7.6 6.8 35 37 X P - 0 0 0 0, 0.0 -28,-0.1 0, 0.0 54,-0.1 -0.316 20.2-137.9 -65.7 147.3 -8.3 10.1 9.5 36 38 X D S S+ 0 0 23 -30,-0.6 53,-2.3 1,-0.2 2,-0.3 0.864 87.9 23.8 -71.0 -33.1 -10.0 13.4 9.5 37 39 X V E -bC 7 88A 0 -31,-1.7 -29,-2.3 51,-0.2 2,-0.4 -0.985 64.5-169.6-135.8 137.9 -6.9 15.4 10.4 38 40 X I E -bC 8 87A 1 49,-2.2 49,-3.1 -2,-0.3 2,-0.4 -1.000 2.6-171.2-127.3 132.6 -3.1 14.6 10.0 39 41 X A E -bC 9 86A 0 -31,-2.2 -29,-2.1 -2,-0.4 2,-0.4 -0.986 2.0-167.5-123.1 136.9 -0.3 16.5 11.5 40 42 X V E -bC 10 85A 17 45,-2.5 45,-2.3 -2,-0.4 2,-0.4 -0.980 6.2-177.2-125.8 121.0 3.4 16.0 10.7 41 43 X A E -bC 11 84A 1 -31,-2.6 -29,-1.7 -2,-0.4 2,-0.3 -0.929 2.0-178.8-120.5 132.8 6.2 17.5 12.8 42 44 X V E -bC 12 83A 36 41,-2.2 41,-2.0 -2,-0.4 2,-0.4 -0.951 11.7-161.6-127.7 149.2 9.9 17.2 12.1 43 45 X Q E +bC 13 82A 24 -31,-1.9 -28,-1.9 -2,-0.3 -29,-1.3 -0.994 40.7 97.5-123.9 141.0 13.0 18.4 13.8 44 46 X G E -b 15 0A 2 37,-2.3 2,-0.4 -2,-0.4 -28,-0.2 -0.861 63.5 -47.9 176.9-142.6 16.3 18.7 12.1 45 47 X F S S- 0 0 109 -30,-1.8 36,-0.2 -2,-0.2 35,-0.1 -0.980 94.2 -6.6-136.4 127.4 18.7 21.0 10.4 46 48 X G > + 0 0 31 34,-1.4 4,-1.5 -2,-0.4 5,-0.4 0.726 68.2 144.1 71.4 33.6 18.4 23.6 7.6 47 49 X F T 4 + 0 0 48 33,-0.9 33,-0.2 32,-0.3 8,-0.1 0.945 66.7 50.8 -65.3 -51.2 14.8 23.2 6.4 48 50 X Q T 4 S+ 0 0 108 31,-1.2 -1,-0.2 1,-0.2 32,-0.1 0.882 118.4 35.9 -63.2 -44.7 13.8 26.8 5.6 49 51 X T T 4 S- 0 0 78 30,-0.1 -1,-0.2 31,-0.0 -2,-0.2 0.901 93.3-157.8 -71.4 -48.2 16.8 27.7 3.4 50 52 X D >< + 0 0 31 -4,-1.5 3,-1.2 30,-0.1 -3,-0.1 0.963 21.3 176.3 68.0 63.4 16.9 24.2 2.0 51 53 X K T 3 S+ 0 0 167 -5,-0.4 -4,-0.1 1,-0.2 -1,-0.1 0.737 83.0 52.1 -66.8 -26.2 20.5 23.7 0.7 52 54 X P T 3 S- 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.449 105.5-131.8 -84.2 0.3 19.8 20.0 -0.3 53 55 X Q < + 0 0 149 -3,-1.2 4,-0.2 1,-0.1 -2,-0.1 0.937 61.9 136.2 46.9 57.5 16.7 21.1 -2.3 54 56 X Q > + 0 0 35 2,-0.1 4,-2.5 -7,-0.1 5,-0.2 0.487 44.4 91.1-105.9 -9.6 14.3 18.6 -0.8 55 57 X G H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.940 86.7 49.1 -44.4 -54.7 11.5 21.1 -0.4 56 58 X P H > S+ 0 0 86 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.899 110.8 48.9 -63.5 -36.3 10.1 20.3 -3.8 57 59 X A H > S+ 0 0 36 -4,-0.2 4,-2.7 2,-0.2 5,-0.3 0.861 109.0 54.7 -66.2 -36.8 10.1 16.6 -3.2 58 60 X C H X S+ 0 0 39 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.972 115.0 38.5 -54.6 -51.7 8.4 17.1 0.1 59 61 X V H X S+ 0 0 76 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.949 117.0 50.2 -69.4 -49.3 5.6 19.0 -1.5 60 62 X K H X S+ 0 0 148 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.941 117.2 39.7 -53.3 -50.5 5.4 16.8 -4.6 61 63 X N H X S+ 0 0 67 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.873 119.1 42.7 -75.0 -41.6 5.3 13.6 -2.6 62 64 X F H X S+ 0 0 23 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.947 116.8 47.9 -68.3 -43.4 3.0 14.6 0.3 63 65 X Q H X S+ 0 0 53 -4,-2.7 4,-2.0 -5,-0.3 5,-0.4 0.879 110.3 53.1 -69.0 -34.9 0.6 16.5 -2.0 64 66 X S H X S+ 0 0 75 -4,-2.2 4,-0.5 -5,-0.4 -1,-0.2 0.888 115.1 38.7 -66.3 -39.1 0.4 13.6 -4.5 65 67 X L H < S+ 0 0 41 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.907 123.8 38.9 -75.8 -39.4 -0.5 10.9 -1.9 66 68 X L H ><>S+ 0 0 0 -4,-2.4 5,-2.1 -5,-0.2 3,-1.2 0.834 103.6 60.4 -90.9 -35.3 -2.9 13.1 0.2 67 69 X T H ><5S+ 0 0 89 -4,-2.0 3,-1.3 -5,-0.3 -1,-0.2 0.902 103.7 54.8 -60.8 -39.2 -4.9 15.3 -2.2 68 70 X S T 3<5S+ 0 0 104 -4,-0.5 -1,-0.2 -5,-0.4 -2,-0.2 0.579 103.5 56.3 -71.8 -8.7 -6.3 12.1 -3.9 69 71 X K T < 5S- 0 0 76 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.432 128.0 -95.4 -95.7 -0.5 -7.6 10.9 -0.4 70 72 X G T < 5S+ 0 0 33 -3,-1.3 20,-2.8 -4,-0.4 21,-0.4 0.550 74.7 147.8 100.9 14.5 -9.5 14.1 0.1 71 73 X Y E < -D 89 0A 11 -5,-2.1 2,-0.5 18,-0.3 -1,-0.3 -0.613 33.3-159.6 -88.6 140.7 -7.0 16.1 2.2 72 74 X T E -D 88 0A 36 16,-3.0 16,-2.9 -2,-0.3 2,-0.9 -0.954 22.0-130.5-105.5 130.2 -6.5 19.9 2.2 73 75 X K E -D 87 0A 77 -2,-0.5 14,-0.3 14,-0.2 3,-0.1 -0.704 22.6-173.5 -78.0 108.6 -3.2 21.2 3.5 74 76 X L E - 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