==== 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 17-MAY-12 4F8F . 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) . 5920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 66.7 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 . 16 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 2 1 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 35 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-162.2 -16.9 -10.5 -23.2 2 2 A I H > + 0 0 1 47,-0.3 4,-3.0 1,-0.2 5,-0.5 0.857 360.0 52.3 -56.0 -40.9 -15.3 -8.0 -20.9 3 3 A V H >>S+ 0 0 30 2,-0.2 5,-2.8 1,-0.2 4,-2.0 0.922 112.8 44.6 -64.9 -42.2 -12.2 -7.5 -23.1 4 4 A E H 4>S+ 0 0 88 3,-0.2 5,-2.2 4,-0.2 -2,-0.2 0.926 119.3 42.6 -66.4 -42.9 -14.3 -6.9 -26.1 5 5 A Q H <5S+ 0 0 93 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.897 130.4 21.1 -68.9 -41.1 -16.6 -4.5 -24.2 6 6 A a H <5S+ 0 0 0 -4,-3.0 22,-3.1 -5,-0.2 5,-0.4 0.691 132.3 28.1-111.3 -25.5 -14.0 -2.6 -22.2 7 7 A b T <5S+ 0 0 30 -4,-2.0 -3,-0.2 -5,-0.5 22,-0.1 0.816 128.1 34.7-100.9 -53.7 -10.6 -2.9 -23.9 8 8 A T T -A 25 0A 14 -2,-0.3 4,-2.0 13,-0.2 13,-0.2 -0.426 33.6-107.7 -87.1 165.4 -18.3 2.9 -18.5 13 13 A L H > S+ 0 0 51 11,-0.7 4,-1.0 1,-0.2 -1,-0.1 0.861 123.0 56.1 -58.1 -36.5 -17.7 2.3 -14.8 14 14 A Y H >4 S+ 0 0 144 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.895 104.9 50.8 -63.0 -42.7 -21.4 1.2 -14.6 15 15 A Q H >4 S+ 0 0 58 1,-0.2 3,-2.3 2,-0.2 4,-0.2 0.907 103.0 60.4 -60.9 -41.5 -20.8 -1.4 -17.4 16 16 A L H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.805 91.0 68.8 -55.9 -29.5 -17.8 -2.7 -15.4 17 17 A E G X< S+ 0 0 77 -4,-1.0 3,-1.5 -3,-0.5 -1,-0.3 0.674 79.2 79.8 -64.7 -15.1 -20.2 -3.5 -12.6 18 18 A N G < S+ 0 0 112 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.745 92.2 51.8 -58.7 -23.1 -21.7 -6.2 -14.9 19 19 A Y G < S+ 0 0 34 -3,-1.9 28,-2.0 -4,-0.2 -1,-0.2 0.285 85.3 107.2-104.6 9.0 -18.7 -8.3 -13.8 20 20 A c B < B 46 0B 17 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.498 360.0 360.0 -76.4 155.6 -19.0 -8.0 -10.1 21 21 A N 0 0 100 24,-2.0 -1,-0.1 80,-0.2 24,-0.1 -0.254 360.0 360.0 -88.0 360.0 -20.3 -10.9 -8.0 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 0 183 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0-175.6 -18.1 9.3 -14.9 24 2 B V - 0 0 92 -13,-0.1 -11,-0.7 2,-0.0 2,-0.4 -0.820 360.0-116.3-138.2 172.6 -16.7 8.4 -18.3 25 3 B N E +A 12 0A 87 -2,-0.2 2,-0.3 -13,-0.2 -13,-0.2 -0.985 43.7 152.7-115.0 128.5 -16.1 5.7 -20.9 26 4 B Q E -A 11 0A 82 -15,-1.5 -15,-1.7 -2,-0.4 2,-0.5 -0.871 49.9 -87.5-145.0 167.4 -12.5 4.7 -21.7 27 5 B H - 0 0 117 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.781 42.2-175.9 -82.0 124.8 -10.3 1.8 -23.0 28 6 B L + 0 0 16 -22,-3.1 2,-0.3 -2,-0.5 -20,-0.1 -0.979 9.8 172.7-127.3 115.5 -9.3 -0.4 -20.0 29 7 B b > - 0 0 48 -2,-0.5 3,-1.6 -22,-0.1 4,-0.4 -0.925 41.7 -28.0-129.8 145.3 -7.0 -3.3 -20.9 30 8 B G T >> S+ 0 0 17 -2,-0.3 4,-1.9 1,-0.3 3,-0.6 -0.214 127.3 1.3 60.2-133.5 -5.0 -6.0 -19.0 31 9 B S H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.820 133.4 58.5 -61.0 -29.7 -3.9 -5.1 -15.5 32 10 B H H <> S+ 0 0 130 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.851 103.6 52.1 -68.3 -34.2 -5.7 -1.8 -15.9 33 11 B L H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.4 -2,-0.2 0.938 111.2 45.9 -65.3 -46.8 -9.0 -3.5 -16.5 34 12 B V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.863 109.5 55.3 -68.1 -32.0 -8.6 -5.7 -13.4 35 13 B E H X S+ 0 0 56 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.911 108.9 48.5 -61.7 -40.8 -7.6 -2.6 -11.4 36 14 B A H X S+ 0 0 15 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.920 109.6 51.8 -67.6 -42.5 -10.9 -0.9 -12.5 37 15 B L H X>S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.5 0.925 109.4 50.4 -57.6 -43.8 -12.9 -4.1 -11.6 38 16 B Y H X5S+ 0 0 66 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.938 112.1 48.8 -59.1 -44.1 -11.4 -4.1 -8.1 39 17 B L H <5S+ 0 0 137 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.9 37.3 -61.0 -49.1 -12.2 -0.4 -7.8 40 18 B V H <5S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.812 128.1 31.8 -76.7 -35.8 -15.8 -0.8 -8.9 41 19 B c H ><5S+ 0 0 3 -4,-3.0 3,-2.0 -5,-0.2 4,-0.2 0.815 76.5 153.8 -94.2 -39.5 -16.7 -4.2 -7.3 42 20 B G G >< + 0 0 30 -2,-0.6 3,-1.2 49,-0.2 -47,-0.3 -0.727 9.4 173.0-131.1 74.2 -12.9 -14.1 -17.7 50 28 B P T 3 S+ 0 0 23 0, 0.0 -47,-0.1 0, 0.0 -46,-0.1 0.742 79.0 61.3 -58.9 -28.1 -11.2 -12.9 -20.9 51 29 B K T 3 0 0 153 45,-0.4 46,-0.1 1,-0.3 47,-0.0 0.682 360.0 360.0 -72.3 -24.4 -12.1 -16.1 -22.9 52 30 B T < 0 0 102 -3,-1.2 -1,-0.3 0, 0.0 -4,-0.0 -0.599 360.0 360.0 135.6 360.0 -15.5 -15.0 -22.2 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,-2.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-166.2 -9.9 -16.7 2.6 55 2 C I H > + 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.861 360.0 55.6 -60.3 -39.0 -7.0 -16.1 0.1 56 3 C V H > S+ 0 0 18 46,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.891 115.2 38.6 -62.3 -39.4 -7.7 -12.3 0.0 57 4 C E H > S+ 0 0 50 -3,-0.3 4,-3.1 2,-0.2 5,-0.4 0.908 114.3 54.0 -77.6 -44.2 -7.3 -12.1 3.8 58 5 C Q H X S+ 0 0 67 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.904 106.7 50.7 -55.2 -47.3 -4.4 -14.6 4.1 59 6 C d H < S+ 0 0 0 -4,-2.5 22,-2.1 1,-0.2 5,-0.2 0.791 118.9 39.1 -63.6 -30.5 -2.2 -12.8 1.5 60 7 C e H < S+ 0 0 46 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.868 122.6 36.0 -89.0 -43.6 -2.7 -9.5 3.4 61 8 C T H < S- 0 0 111 -4,-3.1 -3,-0.2 20,-0.1 -2,-0.2 0.783 139.0 -3.3 -81.4 -29.9 -2.6 -10.5 7.1 62 9 C S S < S- 0 0 72 -4,-2.2 2,-0.3 -5,-0.4 -3,-0.1 0.082 98.5 -74.9-126.3-121.9 0.0 -13.2 6.6 63 10 C I - 0 0 85 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.956 34.8-166.2-143.0 166.7 1.7 -14.4 3.4 64 11 C d B -E 79 0C 0 15,-2.0 15,-3.2 -2,-0.3 2,-0.2 -0.973 16.7-123.1-151.0 158.4 0.7 -16.6 0.4 65 12 C S > - 0 0 21 -2,-0.3 4,-2.0 13,-0.2 3,-0.2 -0.647 25.1-117.8-102.9 161.7 2.4 -18.3 -2.5 66 13 C L H > S+ 0 0 38 11,-0.3 4,-1.9 -2,-0.2 -1,-0.1 0.805 117.6 60.2 -64.5 -28.5 1.9 -18.0 -6.2 67 14 C Y H 4 S+ 0 0 139 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.864 104.7 47.0 -67.5 -38.9 0.9 -21.6 -6.1 68 15 C Q H >4 S+ 0 0 74 -3,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.893 111.2 52.7 -64.7 -42.6 -1.9 -20.8 -3.7 69 16 C L H >< S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.883 96.4 67.5 -60.4 -36.5 -3.0 -17.9 -5.9 70 17 C E G >< S+ 0 0 81 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.748 85.6 71.3 -59.7 -23.4 -3.1 -20.3 -9.0 71 18 C N G < S+ 0 0 119 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.601 92.0 58.7 -67.8 -12.5 -6.1 -22.0 -7.4 72 19 C Y G < S+ 0 0 64 -3,-2.4 28,-2.0 -4,-0.2 -1,-0.3 0.376 80.6 108.2-100.6 1.3 -8.2 -18.9 -8.1 73 20 C f B < D 99 0B 16 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.459 360.0 360.0 -71.1 154.2 -7.6 -19.0 -11.9 74 21 C N 0 0 91 24,-1.9 -1,-0.1 -26,-0.2 -2,-0.1 -0.361 360.0 360.0 -77.2 360.0 -10.6 -20.1 -14.0 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 0 188 0, 0.0 2,-0.3 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 156.4 9.1 -18.2 -6.6 77 2 D V - 0 0 110 1,-0.1 -11,-0.3 -12,-0.0 2,-0.1 -0.695 360.0 -95.4-102.1 155.5 9.0 -16.4 -3.2 78 3 D N - 0 0 104 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.350 44.3-133.3 -66.9 156.9 6.1 -16.0 -0.8 79 4 D Q B -E 64 0C 45 -15,-3.2 -15,-2.0 2,-0.1 2,-0.5 -0.867 19.5-160.2-124.2 142.9 4.0 -12.9 -1.1 80 5 D H + 0 0 129 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.2 -0.962 33.2 169.2-121.4 106.5 2.5 -10.2 1.2 81 6 D L + 0 0 19 -22,-2.1 2,-0.3 -2,-0.5 -19,-0.1 -0.975 11.9 175.4-134.8 119.4 -0.3 -8.7 -0.8 82 7 D e > - 0 0 47 -2,-0.4 3,-1.8 -22,-0.1 4,-0.2 -0.867 53.0 -24.3-118.9 154.0 -3.0 -6.3 0.2 83 8 D G T >> S- 0 0 28 -2,-0.3 3,-1.5 1,-0.3 4,-0.8 -0.130 128.8 -0.0 54.5-132.8 -5.8 -4.5 -1.7 84 9 D S H 3> S+ 0 0 33 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.710 123.1 71.8 -62.5 -23.5 -5.2 -4.0 -5.4 85 10 D H H <> S+ 0 0 120 -3,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.808 94.2 54.5 -65.9 -28.5 -1.8 -5.7 -5.2 86 11 D L H <> S+ 0 0 0 -3,-1.5 4,-2.6 -4,-0.2 -1,-0.2 0.913 107.2 49.9 -67.8 -43.1 -3.5 -9.0 -4.8 87 12 D V H X S+ 0 0 0 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.892 109.2 51.7 -63.9 -39.1 -5.5 -8.4 -7.9 88 13 D E H X S+ 0 0 49 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 110.3 49.1 -60.4 -44.2 -2.3 -7.5 -9.9 89 14 D A H X S+ 0 0 12 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.921 110.5 49.8 -64.0 -44.1 -0.7 -10.8 -8.7 90 15 D L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.911 108.9 53.7 -59.7 -43.2 -3.8 -12.9 -9.7 91 16 D Y H X S+ 0 0 57 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.924 112.5 43.1 -54.6 -46.8 -3.7 -11.2 -13.1 92 17 D L H < S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.857 116.8 47.0 -71.7 -36.9 0.0 -12.1 -13.6 93 18 D V H < S+ 0 0 32 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.889 120.8 34.6 -69.4 -41.1 -0.4 -15.7 -12.3 94 19 D f H >< S+ 0 0 4 -4,-2.7 3,-2.0 -5,-0.2 -2,-0.2 0.755 79.1 169.9 -93.7 -27.6 -3.6 -16.6 -14.3 95 20 D G G >< S+ 0 0 33 -4,-2.0 3,-1.7 -5,-0.3 -1,-0.2 -0.220 72.1 0.2 54.2-129.1 -3.0 -14.7 -17.6 96 21 D E G 3 S+ 0 0 152 1,-0.3 -45,-0.4 -47,-0.1 -1,-0.3 0.656 125.7 68.9 -71.1 -15.4 -5.5 -15.7 -20.3 97 22 D R G < S- 0 0 88 -3,-2.0 -1,-0.3 1,-0.1 -23,-0.2 0.783 92.3-155.9 -66.6 -27.7 -7.3 -18.1 -18.0 98 23 D G < - 0 0 0 -3,-1.7 -24,-1.9 -7,-0.2 2,-0.3 -0.154 6.1-131.0 68.2-171.2 -8.6 -15.2 -15.9 99 24 D F E -CD 48 73B 0 -51,-1.7 -51,-3.1 -26,-0.3 2,-0.4 -0.956 5.6-109.7-164.7 167.2 -9.5 -15.5 -12.3 100 25 D F E -C 47 0B 71 -28,-2.0 2,-0.6 -2,-0.3 -53,-0.2 -0.971 18.7-153.4-118.3 138.0 -12.1 -14.8 -9.6 101 26 D Y E +C 46 0B 12 -55,-3.0 -55,-1.9 -2,-0.4 -80,-0.2 -0.937 21.5 169.5-110.4 112.5 -11.6 -12.3 -6.8 102 27 D T - 0 0 72 -2,-0.6 -46,-0.3 -57,-0.2 -47,-0.1 -0.759 8.6-174.4-133.2 84.8 -13.6 -13.2 -3.7 103 28 D P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 -48,-0.0 -0.309 36.9 -91.4 -71.5 162.6 -12.9 -11.4 -0.5 104 29 D K 0 0 140 -50,-0.1 -59,-0.1 -2,-0.0 0, 0.0 -0.371 360.0 360.0 -71.4 150.8 -14.6 -12.3 2.8 105 30 D T 0 0 154 -2,-0.1 0, 0.0 -61,-0.0 0, 0.0 0.243 360.0 360.0 19.3 360.0 -17.9 -10.6 3.8