==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 07-MAR-05 1Z24 . COMPND 2 MOLECULE: INSECTICYANIN A FORM; . SOURCE 2 ORGANISM_SCIENTIFIC: MANDUCA SEXTA; . AUTHOR H.M.HOLDEN,W.R.RYPNIEWSKI,J.H.LAW,I.RAYMENT . 189 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 36.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 23 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 10.1 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+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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 5 1 0 1 0 1 1 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 0 0 0 0 0 0 0 1 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 G 0 0 93 0, 0.0 3,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 158.1 11.9 28.8 64.3 2 2 A D - 0 0 39 1,-0.1 2,-0.5 31,-0.1 33,-0.1 -0.366 360.0 -97.7 -70.9 159.4 14.8 31.1 64.9 3 3 A I E -A 130 0A 26 127,-0.5 127,-2.1 31,-0.5 2,-0.4 -0.653 45.0-176.1 -82.9 123.3 18.2 29.5 65.4 4 4 A F E -A 129 0A 68 -2,-0.5 125,-0.3 125,-0.3 123,-0.0 -0.882 8.7-174.1-118.6 150.5 19.2 29.2 69.1 5 5 A Y E -A 128 0A 77 123,-3.0 123,-3.1 -2,-0.4 2,-0.0 -0.959 35.2 -91.9-136.7 154.2 22.3 27.9 70.6 6 6 A P E S+A 127 0A 114 0, 0.0 121,-0.3 0, 0.0 120,-0.1 -0.318 79.4 12.2 -71.9 152.0 23.1 27.4 74.3 7 7 A G S S- 0 0 28 119,-2.6 115,-0.2 118,-0.2 -2,-0.2 -0.270 98.4 -29.8 87.5-174.3 24.6 29.9 76.5 8 8 A Y S S- 0 0 171 1,-0.1 120,-0.2 113,-0.1 112,-0.0 -0.337 77.6 -82.8 -77.1 162.4 25.4 33.6 76.4 9 9 A a - 0 0 44 118,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.392 55.4-111.3 -63.2 146.8 26.1 35.3 73.1 10 10 A P - 0 0 53 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.244 35.9 -86.2 -77.8 167.0 29.7 35.0 72.1 11 11 A D + 0 0 153 -2,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.474 57.9 165.3 -70.8 141.5 32.2 37.7 72.1 12 12 A V - 0 0 23 -2,-0.2 -3,-0.0 -3,-0.1 94,-0.0 -0.985 25.6-154.5-156.4 144.7 32.2 39.5 68.7 13 13 A K - 0 0 107 -2,-0.3 3,-0.1 93,-0.0 -2,-0.0 -0.989 18.9-140.3-127.4 122.9 33.5 42.8 67.5 14 14 A P - 0 0 2 0, 0.0 92,-0.3 0, 0.0 73,-0.1 -0.068 44.3 -55.3 -73.4 177.2 31.9 44.6 64.6 15 15 A V - 0 0 25 90,-3.9 71,-2.4 71,-0.3 3,-0.4 -0.180 55.3-127.3 -57.1 142.8 33.6 46.4 61.7 16 16 A N S S+ 0 0 84 69,-0.2 69,-0.2 1,-0.2 68,-0.1 -0.547 81.8 21.0 -90.2 155.4 36.1 49.2 62.5 17 17 A D S S- 0 0 133 66,-0.4 -1,-0.2 -2,-0.2 68,-0.2 0.908 82.2-161.3 58.6 40.6 36.1 52.7 61.2 18 18 A F - 0 0 23 66,-2.7 2,-0.6 -3,-0.4 -1,-0.2 -0.333 8.4-157.3 -60.4 134.2 32.5 52.6 60.3 19 19 A D > - 0 0 78 1,-0.1 4,-2.1 -2,-0.1 3,-0.2 -0.878 8.8-173.8-115.9 98.1 31.4 55.2 57.7 20 20 A L H > S+ 0 0 17 -2,-0.6 4,-1.6 1,-0.2 -1,-0.1 0.868 84.2 52.1 -61.0 -36.8 27.7 55.9 57.9 21 21 A S H 4 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.2 29,-0.1 0.877 111.3 47.5 -70.8 -30.4 27.5 58.1 54.9 22 22 A A H 4 S+ 0 0 27 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 111.0 53.6 -75.4 -28.6 29.3 55.6 52.8 23 23 A F H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.0 -1,-0.2 0.782 83.8 108.7 -76.0 -24.9 26.9 53.0 54.2 24 24 A A < + 0 0 23 -4,-1.6 2,-0.3 -5,-0.2 25,-0.2 -0.070 49.3 75.1 -51.7 148.0 23.8 54.8 53.2 25 25 A G E S-B 48 0A 25 23,-2.5 23,-2.6 2,-0.1 2,-0.7 -0.906 85.6 -44.4 141.6-170.0 21.8 53.5 50.4 26 26 A A E -B 47 0A 38 -2,-0.3 2,-0.6 21,-0.3 21,-0.3 -0.827 50.5-163.1-101.8 113.5 19.4 50.7 49.4 27 27 A W E -B 46 0A 1 19,-3.7 19,-3.1 -2,-0.7 2,-0.4 -0.856 5.9-150.4-104.1 128.0 20.4 47.3 50.7 28 28 A H E -BC 45 136A 22 108,-3.0 108,-2.2 -2,-0.6 2,-1.3 -0.734 17.9-129.3 -92.3 136.7 18.9 44.1 49.3 29 29 A E E + C 0 135A 6 15,-2.6 15,-0.3 -2,-0.4 106,-0.2 -0.728 29.5 176.3 -87.6 94.4 18.6 41.2 51.6 30 30 A I E - 0 0 24 104,-2.1 138,-2.7 -2,-1.3 2,-0.3 0.889 68.9 -16.9 -66.1 -39.4 20.2 38.5 49.4 31 31 A A E -DC 167 134A 4 103,-1.3 103,-3.2 136,-0.3 2,-0.3 -0.992 63.7-173.4-160.7 161.4 19.9 36.0 52.2 32 32 A K E -DC 166 133A 8 134,-2.0 134,-2.7 -2,-0.3 101,-0.2 -0.959 33.1-104.2-152.4 166.8 19.3 35.8 55.9 33 33 A L - 0 0 2 99,-2.3 99,-0.2 -2,-0.3 132,-0.1 -0.627 69.6 -73.4 -85.3 153.5 19.2 33.4 58.8 34 34 A P + 0 0 21 0, 0.0 -31,-0.5 0, 0.0 2,-0.3 -0.226 56.7 178.4 -53.6 135.3 15.6 32.7 59.8 35 35 A L >> - 0 0 24 1,-0.1 3,-2.3 -33,-0.1 4,-1.1 -0.905 25.9-140.4-142.9 106.9 13.9 35.6 61.6 36 36 A E G >4 S+ 0 0 127 -2,-0.3 3,-1.1 1,-0.3 4,-0.4 0.853 95.9 53.9 -37.4 -51.1 10.3 35.3 62.6 37 37 A N G 34 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.632 121.7 28.5 -65.2 -17.6 9.1 38.8 61.8 38 38 A E G X4 S+ 0 0 19 -3,-2.3 3,-0.9 1,-0.1 -1,-0.3 0.373 81.1 107.8-128.8 10.8 10.4 38.6 58.3 39 39 A N T << S+ 0 0 65 -4,-1.1 -2,-0.1 -3,-1.1 -3,-0.1 0.849 85.5 46.3 -54.9 -33.9 10.3 35.1 57.2 40 40 A Q T 3 S+ 0 0 154 -4,-0.4 -1,-0.2 -3,-0.1 2,-0.1 0.597 90.6 96.0 -87.3 -14.5 7.3 35.7 54.8 41 41 A G < - 0 0 2 -3,-0.9 2,-0.3 22,-0.1 3,-0.2 -0.398 52.3-168.1 -77.0 150.5 8.4 38.9 53.1 42 42 A K E + E 0 62A 102 20,-1.4 20,-2.5 1,-0.2 3,-0.2 -0.854 66.0 36.8-131.7 169.8 10.2 38.8 49.7 43 43 A b E S- 0 0 11 126,-1.9 2,-0.4 -2,-0.3 -1,-0.2 0.869 83.4-172.5 53.7 39.5 12.0 41.4 47.7 44 44 A T E + 0 0 15 -15,-0.3 -15,-2.6 -3,-0.2 2,-0.4 -0.547 10.9 169.4 -71.9 121.9 13.2 42.6 51.1 45 45 A I E -BE 28 60A 38 15,-2.4 15,-2.1 -2,-0.4 2,-0.5 -0.993 23.1-157.5-138.1 137.2 15.1 45.9 51.0 46 46 A A E -BE 27 59A 13 -19,-3.1 -19,-3.7 -2,-0.4 2,-0.5 -0.954 13.4-163.4-112.1 123.8 16.3 48.2 53.7 47 47 A E E -BE 26 58A 80 11,-2.9 11,-2.5 -2,-0.5 2,-0.5 -0.952 3.3-169.0-116.4 122.6 17.0 51.8 52.6 48 48 A Y E -BE 25 57A 14 -23,-2.6 -23,-2.5 -2,-0.5 2,-0.4 -0.928 2.1-167.5-111.1 129.6 19.1 54.1 54.8 49 49 A K E - E 0 56A 133 7,-1.8 7,-2.1 -2,-0.5 2,-0.4 -0.926 5.1-161.2-115.8 136.4 19.2 57.8 54.0 50 50 A Y E + E 0 55A 91 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.964 21.1 178.6-125.7 140.3 21.8 60.2 55.6 51 51 A D - 0 0 133 3,-2.5 -1,-0.1 -2,-0.4 4,-0.1 0.794 56.1-107.2 -99.9 -41.0 21.8 63.9 56.0 52 52 A G S S+ 0 0 48 2,-0.2 3,-0.1 -32,-0.0 -31,-0.1 -0.074 119.5 35.6 128.7 -16.5 25.1 64.3 57.9 53 53 A K S S+ 0 0 206 1,-0.3 2,-0.4 0, 0.0 -3,-0.0 0.495 121.8 43.2-129.6 -32.7 23.1 65.1 60.9 54 54 A K - 0 0 121 21,-0.0 -3,-2.5 19,-0.0 2,-0.4 -0.972 56.0-172.6-133.8 139.7 20.2 62.9 60.4 55 55 A A E -EF 50 74A 9 19,-0.6 19,-2.2 -2,-0.4 2,-0.3 -0.942 8.7-178.6-123.2 140.8 19.6 59.4 59.3 56 56 A S E -EF 49 73A 41 -7,-2.1 -7,-1.8 -2,-0.4 2,-0.4 -0.894 14.5-137.4-133.8 164.5 16.4 57.6 58.6 57 57 A V E -EF 48 72A 5 15,-3.0 15,-2.1 -2,-0.3 2,-0.5 -0.965 11.1-173.8-129.4 144.0 15.2 54.2 57.6 58 58 A Y E -EF 47 71A 64 -11,-2.5 -11,-2.9 -2,-0.4 2,-0.4 -0.952 15.5-176.9-131.7 110.1 12.7 52.9 55.1 59 59 A N E +EF 46 70A 32 11,-2.8 11,-2.2 -2,-0.5 2,-0.3 -0.899 8.6 165.9-112.1 141.0 12.2 49.1 55.2 60 60 A S E +EF 45 69A 17 -15,-2.1 -15,-2.4 -2,-0.4 2,-0.3 -0.997 13.5 162.8-153.6 158.1 10.0 47.1 53.0 61 61 A F E - F 0 68A 28 7,-2.1 7,-2.0 -2,-0.3 2,-0.5 -0.945 32.7-110.1-158.6 171.4 9.0 43.8 51.7 62 62 A V E +EF 42 67A 9 -20,-2.5 -20,-1.4 -2,-0.3 2,-0.4 -0.951 24.6 176.6-121.1 129.9 6.2 42.2 49.9 63 63 A S E > S- F 0 66A 13 3,-2.7 3,-2.2 -2,-0.5 -22,-0.1 -0.996 75.4 -25.3-130.4 120.2 3.7 39.7 51.2 64 64 A N T 3 S- 0 0 148 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.810 127.7 -42.7 42.4 53.5 0.9 38.5 48.9 65 65 A G T 3 S+ 0 0 27 111,-0.3 113,-2.1 1,-0.2 114,-1.9 0.437 116.5 112.5 80.6 -1.2 0.8 41.5 46.7 66 66 A V E < -Fg 63 179A 33 -3,-2.2 -3,-2.7 111,-0.2 2,-1.0 -0.902 59.3-144.5-112.9 134.6 1.1 43.9 49.5 67 67 A K E -Fg 62 180A 35 112,-3.4 114,-2.2 -2,-0.5 2,-0.4 -0.818 19.2-166.5 -97.0 108.8 4.0 46.0 50.1 68 68 A E E +Fg 61 181A 49 -7,-2.0 -7,-2.1 -2,-1.0 2,-0.3 -0.735 12.6 175.9 -95.4 138.1 4.6 46.4 53.8 69 69 A Y E -Fg 60 182A 47 112,-2.5 114,-3.5 -2,-0.4 115,-0.7 -0.911 22.2-153.9-140.5 167.4 6.9 49.0 55.1 70 70 A M E -F 59 0A 37 -11,-2.2 -11,-2.8 -2,-0.3 2,-0.4 -0.999 7.7-158.4-140.3 137.4 8.3 50.7 58.1 71 71 A E E +F 58 0A 111 -2,-0.4 22,-0.5 -13,-0.2 2,-0.3 -0.954 29.8 137.4-117.3 133.1 9.7 54.1 58.6 72 72 A G E -F 57 0A 12 -15,-2.1 -15,-3.0 -2,-0.4 2,-0.3 -0.900 46.2 -82.4-157.1-172.4 12.1 55.0 61.4 73 73 A D E -FH 56 91A 71 18,-2.1 18,-2.4 -2,-0.3 2,-0.4 -0.690 30.9-155.9-102.8 154.8 15.1 56.8 62.6 74 74 A L E +FH 55 90A 7 -19,-2.2 -19,-0.6 -2,-0.3 2,-0.3 -0.993 18.3 160.5-132.7 138.3 18.6 55.6 62.4 75 75 A E E - H 0 89A 107 14,-2.5 14,-3.7 -2,-0.4 2,-0.2 -0.994 43.8 -94.1-153.5 156.5 21.6 56.5 64.6 76 76 A I E - H 0 88A 35 -2,-0.3 12,-0.3 12,-0.2 5,-0.1 -0.489 55.5 -97.8 -71.2 139.7 25.0 55.2 65.5 77 77 A A > - 0 0 4 10,-2.5 4,-1.1 -2,-0.2 3,-0.1 -0.264 29.8-120.1 -58.7 139.4 25.0 53.1 68.6 78 78 A P T 4 S+ 0 0 92 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.831 114.5 45.2 -49.7 -44.6 26.0 55.1 71.7 79 79 A D T >> S+ 0 0 73 1,-0.2 4,-1.4 2,-0.2 3,-1.2 0.877 109.4 56.5 -70.8 -35.5 28.9 52.8 72.5 80 80 A A H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.619 90.9 73.6 -68.3 -14.7 30.0 52.8 68.8 81 81 A K H 3< S+ 0 0 101 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.908 105.5 36.4 -67.0 -33.9 30.2 56.6 68.9 82 82 A Y H <4 S+ 0 0 196 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.815 124.8 38.3 -84.5 -36.7 33.3 56.2 70.9 83 83 A T H < S- 0 0 64 -4,-1.4 -66,-0.4 2,-0.1 -3,-0.2 0.698 94.5-135.9 -90.5 -19.5 34.8 53.1 69.3 84 84 A K < + 0 0 115 -4,-2.2 -66,-2.7 1,-0.2 -3,-0.1 0.692 54.3 147.2 73.0 16.5 33.8 54.1 65.7 85 85 A Q - 0 0 33 -68,-0.2 2,-1.5 -69,-0.2 -69,-0.2 -0.336 60.5 -92.7 -81.4 164.8 32.6 50.5 65.2 86 86 A G S S+ 0 0 0 -71,-2.4 19,-3.3 19,-0.4 2,-0.3 -0.600 74.9 123.1 -88.3 93.9 29.7 49.4 62.9 87 87 A K B +I 104 0A 20 -2,-1.5 -10,-2.5 17,-0.2 2,-0.3 -0.964 32.0 175.4-149.1 125.5 26.8 49.3 65.2 88 88 A Y E -H 76 0A 1 15,-1.6 2,-0.4 -2,-0.3 -12,-0.2 -0.922 22.4-133.2-136.5 161.7 23.6 51.2 64.7 89 89 A V E -H 75 0A 19 -14,-3.7 -14,-2.5 -2,-0.3 2,-0.5 -0.956 10.0-163.9-119.8 136.2 20.1 51.6 66.1 90 90 A M E -HJ 74 101A 13 11,-2.4 11,-3.0 -2,-0.4 2,-0.6 -0.976 11.3-160.4-116.7 123.0 16.8 51.7 64.2 91 91 A T E +HJ 73 100A 27 -18,-2.4 -18,-2.1 -2,-0.5 2,-0.3 -0.946 12.4 175.7-116.2 126.2 13.9 53.1 66.1 92 92 A F E - 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