==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 13-SEP-95 3MTH . COMPND 2 MOLECULE: METHYLPARABEN INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR J.L.WHITTINGHAM,E.J.DODSON,P.C.E.MOODY,G.G.DODSON . 100 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 8.0 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 . 0 0.0 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 . 5 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 2 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 63 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.2 -8.3 16.6 13.2 2 2 A I H > + 0 0 16 2,-0.2 4,-2.7 1,-0.1 5,-0.3 0.841 360.0 66.2 -70.7 -31.2 -8.5 13.5 10.9 3 3 A V H >>S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.5 0.980 103.8 38.7 -50.4 -71.7 -5.7 11.9 13.0 4 4 A E H >5S+ 0 0 110 1,-0.2 4,-0.8 3,-0.2 5,-0.3 0.817 123.0 41.9 -51.3 -36.6 -7.5 11.5 16.3 5 5 A Q H <5S+ 0 0 101 -4,-1.0 4,-0.4 3,-0.2 -1,-0.2 0.779 121.3 35.5 -84.6 -35.0 -10.9 10.5 14.8 6 6 A a H <5S+ 0 0 13 -4,-2.7 5,-0.4 -3,-0.3 -2,-0.2 0.562 120.9 45.9-104.5 -3.3 -9.8 8.1 12.0 7 7 A b H <5S+ 0 0 24 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.839 116.9 38.4-102.1 -45.9 -6.9 6.5 13.8 8 8 A T S < - 0 0 46 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.354 30.4-102.9 -80.4 171.6 -16.5 5.4 7.3 13 13 A L H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.817 124.5 58.2 -60.4 -33.1 -16.3 6.8 3.7 14 14 A Y H 4 S+ 0 0 165 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.867 108.1 43.4 -67.7 -39.4 -19.0 9.2 4.8 15 15 A Q H >4 S+ 0 0 90 -3,-0.3 3,-1.2 1,-0.2 4,-0.3 0.886 112.3 53.6 -73.0 -40.4 -16.8 10.6 7.6 16 16 A L H >< S+ 0 0 14 -4,-2.5 3,-1.6 1,-0.2 4,-0.3 0.807 95.1 68.2 -66.3 -29.9 -13.7 10.7 5.3 17 17 A E G >< S+ 0 0 72 -4,-1.6 3,-1.0 1,-0.3 -1,-0.2 0.736 86.2 70.6 -61.0 -22.9 -15.6 12.8 2.7 18 18 A N G < S+ 0 0 125 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.745 95.5 53.8 -65.8 -25.5 -15.6 15.7 5.2 19 19 A Y G < S+ 0 0 80 -3,-1.6 27,-0.6 -4,-0.3 -1,-0.2 0.478 89.0 101.9 -90.5 -0.5 -11.8 16.1 4.7 20 20 A c B < A 45 0A 16 -3,-1.0 25,-0.2 -4,-0.3 24,-0.1 -0.304 360.0 360.0 -78.0 166.0 -12.0 16.3 0.8 21 21 A N 0 0 87 23,-2.6 24,-0.1 22,-0.1 23,-0.1 0.681 360.0 360.0 -86.6 360.0 -11.7 19.6 -1.1 22 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 2 B V 0 0 150 0, 0.0 2,-0.4 0, 0.0 -15,-0.1 0.000 360.0 360.0 360.0 154.0 -1.6 4.0 18.3 24 3 B N > - 0 0 92 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.466 360.0-167.0 -66.4 121.1 1.1 5.2 15.8 25 4 B Q H > S+ 0 0 71 -2,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.757 85.4 53.7 -77.3 -28.2 -0.2 8.3 14.0 26 5 B H H > S+ 0 0 92 2,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.875 112.9 42.6 -74.8 -38.2 2.5 8.3 11.3 27 6 B L H > S+ 0 0 115 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.926 118.5 46.7 -71.5 -42.6 1.8 4.7 10.4 28 7 B b H >X S+ 0 0 19 -4,-1.7 4,-2.4 1,-0.2 3,-0.8 0.932 106.2 58.4 -62.7 -44.0 -1.9 5.5 10.6 29 8 B G H 3X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.852 99.6 59.5 -54.4 -37.2 -1.3 8.7 8.5 30 9 B S H 3X S+ 0 0 37 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.861 109.2 43.1 -61.5 -33.4 0.1 6.5 5.7 31 10 B H H < S+ 0 0 4 -4,-2.6 3,-1.8 -5,-0.2 4,-0.2 0.824 79.8 165.3 -72.9 -30.2 -11.9 12.3 -2.6 41 20 B G G >< S- 0 0 27 -4,-1.6 3,-1.4 -5,-0.5 -1,-0.2 -0.244 73.0 -0.0 54.9-132.5 -10.9 11.2 -6.1 42 21 B E G 3 S+ 0 0 152 1,-0.2 60,-0.4 59,-0.1 -1,-0.3 0.743 124.8 69.7 -60.1 -26.6 -10.7 14.2 -8.4 43 22 B R G < S- 0 0 122 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.717 88.9-161.1 -67.3 -19.4 -11.7 16.7 -5.7 44 23 B G < - 0 0 0 -3,-1.4 -23,-2.6 -4,-0.2 2,-0.3 0.012 0.6-129.5 62.3-173.6 -8.3 16.2 -4.0 45 24 B F E -AB 20 99A 0 54,-1.8 54,-3.5 -25,-0.2 2,-0.4 -0.981 6.6-118.4-163.9 165.8 -7.5 17.0 -0.5 46 25 B F E - B 0 98A 107 -27,-0.6 2,-0.5 -2,-0.3 52,-0.2 -0.953 24.8-161.8-114.9 133.2 -5.0 18.8 1.8 47 26 B Y E + B 0 97A 3 50,-3.1 50,-1.9 -2,-0.4 25,-0.2 -0.963 12.3 175.0-124.4 114.4 -3.2 16.6 4.3 48 27 B T - 0 0 82 -2,-0.5 48,-0.2 48,-0.2 47,-0.1 -0.979 15.4-161.8-121.7 113.5 -1.5 18.4 7.2 49 28 B P 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -46,-0.1 0.930 360.0 360.0 -60.9 -48.6 -0.0 16.0 9.7 50 29 B K 0 0 167 44,-0.8 -2,-0.1 -47,-0.0 -47,-0.1 -0.115 360.0 360.0 -46.0 360.0 0.2 18.5 12.6 51 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 52 1 C G > 0 0 31 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 167.4 -0.5 20.1 -12.0 53 2 C I H >> + 0 0 1 47,-0.5 4,-2.9 1,-0.2 5,-0.8 0.889 360.0 55.1 -67.0 -37.4 0.9 17.2 -10.0 54 3 C V H >>S+ 0 0 36 46,-0.2 5,-3.6 1,-0.2 4,-1.6 0.960 110.8 42.8 -62.5 -47.9 -0.6 14.6 -12.3 55 4 C E H 4>S+ 0 0 124 3,-0.2 5,-0.6 4,-0.2 -1,-0.2 0.884 120.5 43.1 -67.1 -35.8 1.0 15.9 -15.5 56 5 C Q H <5S+ 0 0 63 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.878 132.5 13.8 -76.6 -43.3 4.4 16.5 -13.9 57 6 C d H <5S+ 0 0 0 -4,-2.9 22,-3.3 -5,-0.2 5,-0.4 0.589 133.8 35.6-113.3 -16.4 4.8 13.4 -11.8 58 7 C e T < - 0 0 39 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.466 32.8-109.3 -84.6 165.6 12.4 14.7 -9.6 64 13 C L H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.890 121.3 55.1 -63.7 -37.6 12.4 14.8 -5.8 65 14 C Y H 4 S+ 0 0 204 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.869 109.5 45.4 -62.1 -39.5 12.8 18.6 -6.0 66 15 C Q H >4 S+ 0 0 65 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.859 109.5 55.3 -74.9 -32.6 9.7 18.9 -8.2 67 16 C L H >< S+ 0 0 1 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.846 99.5 61.9 -67.9 -32.7 7.7 16.6 -5.9 68 17 C E G >< S+ 0 0 71 -4,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.615 84.5 76.6 -74.1 -6.6 8.5 18.9 -3.0 69 18 C N G < S+ 0 0 106 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.744 91.2 56.3 -71.6 -22.5 6.7 21.8 -4.7 70 19 C Y G < S+ 0 0 29 -3,-1.5 28,-2.3 -4,-0.2 -1,-0.2 0.308 85.4 105.7 -97.1 14.4 3.4 20.1 -3.6 71 20 C f B < C 97 0A 7 -3,-1.0 26,-0.3 26,-0.2 25,-0.1 -0.627 360.0 360.0 -88.3 154.2 4.3 20.1 0.1 72 21 C N 0 0 88 24,-3.0 -1,-0.1 -2,-0.2 24,-0.1 -0.302 360.0 360.0 -73.6 360.0 2.6 22.5 2.4 73 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 1 D F 0 0 121 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.4 14.8 8.8 -4.9 75 2 D V - 0 0 76 1,-0.1 2,-0.7 -12,-0.1 -13,-0.1 -0.207 360.0-147.5 -62.8 147.8 12.9 6.7 -7.5 76 3 D N + 0 0 127 -15,-0.1 2,-0.3 -13,-0.1 -13,-0.1 -0.867 53.3 107.7-113.1 87.2 12.7 8.0 -11.0 77 4 D Q S S- 0 0 84 -2,-0.7 -15,-0.7 -15,-0.4 2,-0.6 -0.979 78.8 -76.9-157.5 171.4 9.3 6.8 -12.3 78 5 D H - 0 0 106 -2,-0.3 2,-0.6 -17,-0.2 -20,-0.3 -0.652 48.3-163.7 -72.2 116.0 5.8 7.7 -13.2 79 6 D L + 0 0 9 -22,-3.3 2,-0.3 -2,-0.6 -19,-0.1 -0.956 19.3 164.5-108.5 116.3 4.1 8.1 -9.8 80 7 D e >> - 0 0 47 -2,-0.6 3,-1.7 -22,-0.1 4,-0.6 -0.920 41.2 -16.0-132.2 162.4 0.3 8.0 -10.0 81 8 D G H 3> S- 0 0 16 -2,-0.3 4,-1.8 1,-0.3 3,-0.5 -0.144 128.4 -2.1 51.6-129.9 -2.7 7.6 -7.8 82 9 D S H 3> S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.771 133.0 60.0 -65.6 -25.0 -2.1 6.1 -4.4 83 10 D H H <> S+ 0 0 125 -3,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.865 105.1 50.2 -70.3 -36.5 1.6 5.8 -5.2 84 11 D L H X S+ 0 0 0 -4,-0.6 4,-2.4 -3,-0.5 -2,-0.2 0.922 110.5 47.4 -67.5 -44.4 1.8 9.5 -5.7 85 12 D V H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.874 111.4 51.8 -67.3 -35.1 0.1 10.4 -2.4 86 13 D E H X S+ 0 0 44 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.877 109.9 48.2 -67.0 -39.5 2.4 8.0 -0.5 87 14 D A H X S+ 0 0 10 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.906 113.8 48.3 -65.3 -41.2 5.5 9.6 -2.1 88 15 D L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.913 108.0 54.6 -64.3 -43.9 4.0 13.0 -1.1 89 16 D Y H X S+ 0 0 11 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.922 115.1 40.0 -52.9 -51.2 3.3 11.6 2.4 90 17 D L H < S+ 0 0 126 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.898 117.8 42.8 -67.3 -46.4 7.0 10.6 2.8 91 18 D V H < S+ 0 0 25 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.915 116.8 46.4 -75.9 -34.3 8.8 13.6 1.2 92 19 D f H >< S+ 0 0 6 -4,-2.4 3,-1.7 -5,-0.3 4,-0.4 0.755 82.4 171.9 -77.4 -24.9 6.7 16.3 2.8 93 20 D G G >< - 0 0 22 -4,-1.2 3,-0.7 -5,-0.3 -1,-0.2 -0.286 67.2 -4.9 54.8-133.5 6.8 14.8 6.3 94 21 D E G 3 S+ 0 0 143 1,-0.2 -44,-0.8 -45,-0.1 -1,-0.3 0.668 126.3 68.1 -70.4 -18.3 5.3 17.1 8.9 95 22 D R G < S- 0 0 125 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.873 93.5-155.7 -67.2 -34.0 4.6 20.0 6.5 96 23 D G < - 0 0 0 -3,-0.7 -24,-3.0 -4,-0.4 2,-0.3 -0.339 6.7-115.8 84.9-176.9 2.0 17.8 4.9 97 24 D F E -BC 47 71A 1 -50,-1.9 -50,-3.1 -26,-0.3 2,-0.5 -0.916 5.2-116.6-149.7 173.5 0.9 18.4 1.3 98 25 D F E -B 46 0A 54 -28,-2.3 2,-0.6 -2,-0.3 -52,-0.2 -0.972 17.3-161.8-124.6 132.1 -1.8 19.3 -1.1 99 26 D Y E +B 45 0A 11 -54,-3.5 -54,-1.8 -2,-0.5 -14,-0.0 -0.896 23.5 156.5-114.5 103.3 -3.2 16.8 -3.6 100 27 D T > + 0 0 35 -2,-0.6 3,-0.6 -56,-0.2 -47,-0.5 -0.791 10.5 174.6-129.9 87.2 -5.1 18.6 -6.4 101 28 D P T 3 S+ 0 0 22 0, 0.0 -46,-0.1 0, 0.0 -1,-0.1 0.586 75.2 65.9 -68.3 -16.9 -5.2 16.5 -9.5 102 29 D K T 3 0 0 152 -60,-0.4 -59,-0.1 -48,-0.1 -60,-0.0 0.840 360.0 360.0 -74.8 -35.2 -7.5 18.9 -11.3 103 30 D A < 0 0 84 -3,-0.6 -49,-0.1 -49,-0.0 0, 0.0 0.148 360.0 360.0 -55.5 360.0 -4.9 21.7 -11.4