==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 01-MAY-12 4EY1 . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.FAVERO-RETTO,L.C.PALMIERI,L.M.T.R.LIMA . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 67.6 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 . 13 12.7 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 . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.9 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 2 0 1 0 0 0 2 0 0 0 0 0 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 . 3 1 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 . 1 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 34 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-165.0 17.4 9.2 0.3 2 2 A I H >> + 0 0 0 47,-0.4 4,-3.1 1,-0.2 5,-0.6 0.837 360.0 53.4 -55.2 -37.1 14.3 9.2 -1.9 3 3 A V H >>S+ 0 0 30 1,-0.2 5,-3.1 2,-0.2 4,-1.8 0.926 111.8 44.5 -71.3 -40.8 12.4 6.7 0.3 4 4 A E H 4>S+ 0 0 81 3,-0.2 5,-2.2 -3,-0.2 -1,-0.2 0.929 118.5 44.6 -66.3 -41.5 12.9 8.8 3.3 5 5 A Q H <5S+ 0 0 88 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.899 130.1 18.4 -67.2 -41.1 12.0 11.9 1.4 6 6 A a H <5S+ 0 0 0 -4,-3.1 22,-3.4 -5,-0.2 5,-0.4 0.693 131.6 31.5-114.1 -27.3 9.0 10.7 -0.5 7 7 A b T < -A 25 0A 15 -2,-0.4 4,-2.3 13,-0.2 13,-0.2 -0.474 35.7-105.9 -87.4 168.8 6.5 17.1 -4.1 13 13 A L H > S+ 0 0 55 11,-0.8 4,-1.2 1,-0.2 -1,-0.1 0.862 122.6 56.4 -61.9 -37.2 6.9 16.3 -7.7 14 14 A Y H 4 S+ 0 0 139 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.867 105.1 50.1 -58.3 -41.3 9.7 18.8 -7.8 15 15 A Q H >4 S+ 0 0 59 1,-0.2 3,-2.2 2,-0.2 4,-0.3 0.920 105.3 58.3 -65.5 -37.6 11.5 17.0 -5.1 16 16 A L H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.865 94.7 65.8 -55.4 -32.2 11.0 13.8 -7.1 17 17 A E G >< S+ 0 0 71 -4,-1.2 3,-1.6 1,-0.3 -1,-0.3 0.659 81.6 79.2 -66.0 -15.5 12.9 15.5 -9.9 18 18 A N G < S+ 0 0 106 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.738 91.4 51.8 -59.8 -18.3 15.9 15.4 -7.7 19 19 A Y G < S+ 0 0 32 -3,-2.1 28,-2.1 -4,-0.3 -1,-0.2 0.260 85.7 107.4-108.5 12.4 16.3 11.8 -8.6 20 20 A c B < B 46 0B 17 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.557 360.0 360.0 -81.0 155.2 16.2 12.3 -12.4 21 21 A N 0 0 118 24,-2.2 -1,-0.1 80,-0.2 24,-0.1 -0.246 360.0 360.0 -85.9 360.0 19.3 11.9 -14.3 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 1 B F 0 0 190 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 174.3 0.9 20.0 -7.7 24 2 B V - 0 0 92 -13,-0.1 -11,-0.8 2,-0.0 2,-0.5 -0.743 360.0-119.6-129.0 169.0 0.9 18.3 -4.3 25 3 B N E +A 12 0A 91 -2,-0.2 2,-0.3 -13,-0.2 -13,-0.2 -0.989 46.0 154.2-107.5 125.7 3.0 16.6 -1.7 26 4 B Q E -A 11 0A 94 -15,-1.7 -15,-2.0 -2,-0.5 2,-0.6 -0.851 48.8 -88.6-138.6 171.2 2.1 13.0 -1.0 27 5 B H - 0 0 115 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.794 40.8-176.4 -81.1 127.0 3.6 9.7 0.2 28 6 B L + 0 0 9 -22,-3.4 2,-0.4 -2,-0.6 -20,-0.1 -0.971 10.6 171.8-128.5 116.8 5.0 7.8 -2.6 29 7 B b > - 0 0 48 -2,-0.5 3,-1.7 -22,-0.1 4,-0.4 -0.920 40.9 -23.8-131.0 144.8 6.2 4.3 -1.8 30 8 B G T >> S- 0 0 18 -2,-0.4 4,-2.0 1,-0.3 3,-0.8 -0.205 127.2 -2.0 66.1-139.3 7.5 1.3 -3.5 31 9 B S H 3> S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.829 133.2 60.5 -62.9 -28.1 6.5 0.8 -7.0 32 10 B H H <> S+ 0 0 120 -3,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.860 102.5 53.0 -65.5 -32.1 4.4 3.9 -6.8 33 11 B L H <> S+ 0 0 0 -3,-0.8 4,-2.7 -4,-0.4 -2,-0.2 0.961 110.9 44.5 -67.0 -44.3 7.5 5.9 -6.1 34 12 B V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.866 111.2 54.1 -70.2 -31.5 9.3 4.5 -9.1 35 13 B E H X S+ 0 0 71 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.874 109.4 49.0 -65.1 -36.6 6.2 5.1 -11.2 36 14 B A H X S+ 0 0 15 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.901 109.5 51.4 -69.8 -42.4 6.2 8.7 -10.0 37 15 B L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.5 0.928 108.9 51.4 -58.1 -42.7 9.9 9.0 -10.9 38 16 B Y H X S+ 0 0 62 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.933 112.4 47.3 -57.5 -45.7 9.1 7.7 -14.3 39 17 B L H < S+ 0 0 137 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.935 117.7 39.9 -59.4 -48.9 6.4 10.3 -14.7 40 18 B V H < S+ 0 0 24 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.862 128.5 28.7 -73.6 -37.5 8.5 13.1 -13.5 41 19 B c H >< S+ 0 0 4 -4,-3.1 3,-2.1 -5,-0.2 4,-0.3 0.772 76.4 156.4 -95.8 -40.5 11.8 12.2 -15.2 42 20 B G G >< S+ 0 0 19 -4,-2.6 3,-2.1 -5,-0.5 -1,-0.1 -0.082 75.7 9.7 49.0-122.4 10.7 10.3 -18.3 43 21 B E G 3 S+ 0 0 146 1,-0.3 -1,-0.3 59,-0.1 3,-0.1 0.645 122.0 67.1 -67.1 -20.7 13.4 10.5 -21.0 44 22 B R G < S- 0 0 112 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.804 99.1-147.3 -60.7 -30.6 15.9 12.0 -18.6 45 23 B G < - 0 0 0 -3,-2.1 -24,-2.2 -4,-0.3 2,-0.3 -0.171 12.0-139.7 76.3 177.3 15.8 8.7 -16.8 46 24 B F E -BC 20 101B 0 55,-2.0 55,-2.8 -26,-0.3 2,-0.4 -0.963 5.9-120.6-162.7 169.0 16.3 8.4 -13.1 47 25 B F E - C 0 100B 59 -28,-2.1 2,-0.6 -2,-0.3 53,-0.2 -0.997 11.8-159.7-122.7 141.1 17.9 6.4 -10.4 48 26 B Y E + C 0 99B 12 51,-3.2 51,-1.8 -2,-0.4 26,-0.2 -0.961 21.3 165.9-118.2 109.4 16.0 4.7 -7.6 49 27 B T > + 0 0 29 -2,-0.6 3,-1.3 49,-0.2 -47,-0.4 -0.791 10.7 175.0-130.8 82.7 18.4 4.1 -4.8 50 28 B P T 3 S+ 0 0 23 0, 0.0 -46,-0.2 0, 0.0 -47,-0.1 0.805 79.1 61.1 -65.5 -26.3 16.6 3.2 -1.6 51 29 B K T 3 0 0 137 45,-0.5 46,-0.1 1,-0.2 47,-0.0 0.689 360.0 360.0 -70.8 -18.8 19.8 2.4 0.3 52 30 B T < 0 0 124 -3,-1.3 -1,-0.2 0, 0.0 -50,-0.1 -0.592 360.0 360.0 90.0 360.0 20.9 6.0 -0.3 53 !* 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 54 1 C G > 0 0 61 0, 0.0 4,-3.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-166.0 19.2 0.1 -24.8 55 2 C I H > + 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.844 360.0 56.0 -58.2 -38.7 17.1 -1.9 -22.4 56 3 C V H > S+ 0 0 16 46,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.903 116.6 37.0 -64.3 -41.8 14.2 0.6 -22.3 57 4 C E H >>>S+ 0 0 50 -3,-0.2 4,-3.3 2,-0.2 5,-0.6 0.919 114.5 55.3 -71.8 -45.7 13.9 0.3 -26.0 58 5 C Q H 3X5S+ 0 0 63 -4,-3.4 4,-1.9 1,-0.3 -2,-0.2 0.912 107.3 49.1 -56.1 -45.3 14.6 -3.4 -26.2 59 6 C d H 3<5S+ 0 0 0 -4,-2.6 22,-2.1 1,-0.2 -1,-0.3 0.800 118.7 39.5 -68.6 -25.8 12.0 -4.4 -23.8 60 7 C e H <<5S+ 0 0 41 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.868 123.8 33.3 -91.5 -40.1 9.4 -2.3 -25.5 61 8 C T H <5S+ 0 0 121 -4,-3.3 -3,-0.2 20,-0.1 -2,-0.2 0.708 139.5 2.2 -90.6 -24.1 10.1 -2.8 -29.3 62 9 C S S < - 0 0 20 -2,-0.3 4,-2.4 13,-0.2 3,-0.2 -0.638 24.3-117.2-102.3 161.1 14.4 -11.0 -19.9 66 13 C L H > S+ 0 0 32 11,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.824 118.3 58.8 -59.2 -30.0 14.3 -10.5 -16.1 67 14 C Y H > S+ 0 0 135 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.859 104.5 47.9 -70.7 -38.0 17.9 -11.4 -16.3 68 15 C Q H >4 S+ 0 0 73 1,-0.2 3,-1.1 -3,-0.2 4,-0.2 0.925 111.4 51.9 -65.0 -39.1 18.7 -8.6 -18.6 69 16 C L H >< S+ 0 0 0 -4,-2.4 3,-2.8 1,-0.3 -2,-0.2 0.891 97.2 66.7 -61.5 -36.2 16.7 -6.3 -16.4 70 17 C E H >< S+ 0 0 80 -4,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.771 87.2 70.1 -62.7 -21.5 18.7 -7.4 -13.4 71 18 C N T << S+ 0 0 119 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.671 92.2 59.4 -66.6 -16.7 21.7 -5.8 -15.0 72 19 C Y T < S+ 0 0 60 -3,-2.8 28,-2.0 -4,-0.2 -1,-0.3 0.410 79.8 107.7 -96.7 1.8 20.2 -2.4 -14.3 73 20 C f B < D 99 0B 13 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.459 360.0 360.0 -71.8 154.3 20.0 -2.8 -10.5 74 21 C N 0 0 109 24,-1.8 -1,-0.1 23,-0.2 24,-0.1 -0.278 360.0 360.0 -73.3 360.0 22.3 -0.8 -8.5 75 !* 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 76 1 D F 0 0 185 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 157.9 11.0 -16.8 -15.8 77 2 D V - 0 0 110 1,-0.1 -11,-0.4 -13,-0.0 2,-0.1 -0.745 360.0 -94.1-105.9 155.2 9.5 -15.7 -19.1 78 3 D N - 0 0 100 -2,-0.3 2,-0.4 -13,-0.1 -13,-0.2 -0.359 44.2-134.5 -66.2 157.5 10.6 -13.1 -21.5 79 4 D Q B -E 64 0C 42 -15,-3.0 -15,-2.2 -2,-0.1 2,-0.6 -0.894 19.4-160.1-124.8 142.2 9.0 -9.7 -21.2 80 5 D H + 0 0 129 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.960 34.0 167.5-121.4 106.4 7.4 -7.2 -23.4 81 6 D L + 0 0 21 -22,-2.1 2,-0.3 -2,-0.6 -19,-0.1 -0.972 10.8 174.0-134.6 124.0 7.5 -4.0 -21.3 82 7 D e > - 0 0 46 -2,-0.5 3,-2.0 -22,-0.1 4,-0.3 -0.861 52.3 -16.1-124.7 156.0 6.9 -0.5 -22.4 83 8 D G T >> S- 0 0 29 -2,-0.3 3,-1.3 1,-0.3 4,-0.9 -0.144 129.8 -5.9 60.5-136.9 6.6 2.7 -20.6 84 9 D S H 3> S+ 0 0 27 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.693 123.6 75.1 -65.8 -19.6 6.1 2.5 -16.9 85 10 D H H <> S+ 0 0 123 -3,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.860 94.2 52.8 -63.2 -30.2 5.7 -1.3 -17.1 86 11 D L H <> S+ 0 0 2 -3,-1.3 4,-2.8 -4,-0.3 -1,-0.2 0.915 107.3 50.4 -69.2 -42.1 9.4 -1.5 -17.5 87 12 D V H X S+ 0 0 0 -4,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.891 109.2 50.7 -60.9 -38.6 10.0 0.6 -14.4 88 13 D E H X S+ 0 0 42 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.867 110.8 50.1 -66.1 -37.7 7.7 -1.6 -12.4 89 14 D A H X S+ 0 0 13 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.915 110.5 49.1 -66.9 -44.8 9.6 -4.7 -13.7 90 15 D L H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.909 110.0 52.3 -56.4 -45.5 12.9 -3.1 -12.7 91 16 D Y H X S+ 0 0 53 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.932 112.7 44.3 -55.8 -45.4 11.4 -2.3 -9.3 92 17 D L H < S+ 0 0 132 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.6 46.5 -67.1 -38.7 10.4 -6.0 -8.8 93 18 D V H < S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 119.2 37.3 -71.8 -36.4 13.6 -7.3 -10.1 94 19 D f H >< S+ 0 0 3 -4,-2.5 3,-2.4 -5,-0.2 4,-0.3 0.708 78.3 171.9 -97.9 -20.6 16.0 -5.1 -8.1 95 20 D G G >< S- 0 0 34 -4,-1.9 3,-1.8 -5,-0.3 -1,-0.2 -0.128 72.1 -0.9 53.3-131.8 14.2 -4.8 -4.9 96 21 D E G 3 S+ 0 0 145 1,-0.3 -45,-0.5 -46,-0.1 -1,-0.3 0.690 126.4 68.6 -69.3 -13.8 16.2 -3.0 -2.3 97 22 D R G < S- 0 0 83 -3,-2.4 -1,-0.3 1,-0.1 -23,-0.2 0.815 90.4-157.2 -71.6 -25.9 19.1 -2.6 -4.6 98 23 D G < - 0 0 0 -3,-1.8 -24,-1.8 -4,-0.3 2,-0.3 -0.213 6.3-133.1 68.4-169.7 17.1 -0.1 -6.6 99 24 D F E -CD 48 73B 0 -51,-1.8 -51,-3.2 -26,-0.3 2,-0.4 -0.965 6.4-107.3-166.8 168.6 18.0 0.5 -10.2 100 25 D F E -C 47 0B 67 -28,-2.0 2,-0.6 -2,-0.3 -53,-0.2 -0.978 19.5-151.9-118.5 142.5 18.6 3.1 -12.9 101 26 D Y E +C 46 0B 10 -55,-2.8 -55,-2.0 -2,-0.4 -80,-0.2 -0.933 20.6 172.2-114.8 119.7 16.3 3.8 -15.7 102 27 D T - 0 0 70 -2,-0.6 -46,-0.4 -57,-0.2 -47,-0.1 -0.764 6.8-174.9-138.1 82.9 18.0 5.1 -18.7 103 28 D P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -48,-0.0 -0.359 37.2 -91.7 -69.9 160.6 16.0 5.5 -21.9 104 29 D K 0 0 131 -50,-0.1 -59,-0.1 -2,-0.1 0, 0.0 -0.436 360.0 360.0 -61.9 149.1 17.6 6.5 -25.1 105 30 D T 0 0 155 -2,-0.1 -1,-0.0 -3,-0.1 0, 0.0 -0.371 360.0 360.0 58.3 360.0 17.7 10.2 -26.0