==== 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 29-APR-12 4EX1 . 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 . 99 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 69.7 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 . 11 11.1 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 5.1 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 . 2 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 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 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 56 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-164.9 -16.6 10.3 23.5 2 2 A I H >> + 0 0 2 46,-0.3 4,-3.1 1,-0.2 5,-0.5 0.864 360.0 53.8 -53.3 -41.5 -15.1 7.8 21.2 3 3 A V H >>S+ 0 0 30 45,-0.2 5,-3.0 2,-0.2 4,-2.0 0.938 113.6 41.8 -63.8 -41.4 -12.0 7.5 23.5 4 4 A E H 4>S+ 0 0 89 3,-0.2 5,-2.5 -3,-0.2 -2,-0.2 0.935 119.6 44.7 -68.9 -41.6 -14.1 6.7 26.5 5 5 A Q H <5S+ 0 0 89 -4,-3.1 -2,-0.2 3,-0.2 -3,-0.2 0.910 130.3 18.9 -68.0 -40.6 -16.4 4.4 24.6 6 6 A a H <5S+ 0 0 0 -4,-3.1 21,-3.6 -5,-0.2 5,-0.5 0.677 132.6 28.9-113.3 -23.1 -13.8 2.5 22.6 7 7 A b T < -A 24 0A 16 -2,-0.3 4,-2.4 12,-0.2 12,-0.2 -0.437 35.0-105.5 -84.8 166.2 -18.1 -3.0 19.0 13 13 A L H > S+ 0 0 52 10,-0.7 4,-1.1 1,-0.2 -1,-0.1 0.870 124.0 56.9 -56.0 -37.7 -17.5 -2.3 15.3 14 14 A Y H 4 S+ 0 0 140 2,-0.2 3,-0.5 1,-0.2 4,-0.3 0.889 104.7 49.1 -62.5 -41.3 -21.1 -1.2 15.3 15 15 A Q H >4 S+ 0 0 56 1,-0.2 3,-2.3 2,-0.2 4,-0.2 0.906 104.5 60.4 -66.8 -38.3 -20.5 1.4 18.0 16 16 A L H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.829 92.1 67.1 -53.2 -30.0 -17.5 2.6 16.0 17 17 A E G >< S+ 0 0 75 -4,-1.1 3,-1.7 -3,-0.5 -1,-0.3 0.706 80.4 79.9 -66.1 -14.7 -19.9 3.4 13.2 18 18 A N G < S+ 0 0 109 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.738 91.8 51.7 -61.1 -16.9 -21.3 6.0 15.4 19 19 A Y G < 0 0 32 -3,-2.0 27,-2.2 -4,-0.2 -1,-0.3 0.286 360.0 360.0-111.3 10.8 -18.4 8.2 14.4 20 20 A c < 0 0 42 -3,-1.7 25,-0.3 25,-0.2 24,-0.1 -0.492 360.0 360.0 -76.8 360.0 -18.7 7.9 10.7 21 !* 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 22 1 B F 0 0 188 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 0.000 360.0 360.0 360.0-158.8 -18.0 -9.3 15.5 23 2 B V - 0 0 98 -12,-0.1 -10,-0.7 2,-0.0 2,-0.5 -0.857 360.0-120.9-135.1 170.3 -16.3 -8.4 18.9 24 3 B N E +A 12 0A 85 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.2 -0.987 41.7 154.2-108.9 127.0 -15.7 -5.6 21.4 25 4 B Q E -A 11 0A 102 -14,-1.2 -14,-1.4 -2,-0.5 2,-0.6 -0.813 51.0 -85.2-136.5 173.5 -12.0 -4.8 22.2 26 5 B H - 0 0 115 -2,-0.2 2,-0.6 -16,-0.2 -19,-0.3 -0.803 42.6-171.9 -82.9 126.9 -10.0 -1.7 23.4 27 6 B L + 0 0 7 -21,-3.6 2,-0.4 -2,-0.6 -19,-0.1 -0.966 12.4 172.6-123.9 114.1 -9.2 0.4 20.5 28 7 B b > - 0 0 47 -2,-0.6 3,-1.7 -21,-0.1 4,-0.4 -0.931 40.9 -30.1-127.9 145.3 -6.9 3.2 21.3 29 8 B G T >> S+ 0 0 17 -2,-0.4 4,-2.2 1,-0.3 3,-0.8 -0.170 127.2 2.0 61.0-136.0 -4.9 5.9 19.5 30 9 B S H 3> S+ 0 0 30 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.830 133.4 58.4 -59.2 -29.0 -3.8 5.1 16.0 31 10 B H H <> S+ 0 0 127 -3,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.858 103.3 52.3 -68.8 -33.3 -5.6 1.8 16.3 32 11 B L H <> S+ 0 0 0 -3,-0.8 4,-2.8 -4,-0.4 -2,-0.2 0.945 111.3 45.6 -67.0 -43.9 -8.9 3.5 17.0 33 12 B V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.869 110.3 54.2 -71.3 -29.3 -8.5 5.7 14.0 34 13 B E H X S+ 0 0 53 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.912 109.3 49.1 -66.3 -37.5 -7.5 2.6 11.9 35 14 B A H X S+ 0 0 13 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.935 110.4 50.2 -67.0 -43.3 -10.7 0.9 13.1 36 15 B L H X>S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.6 0.940 109.8 51.1 -57.7 -42.8 -12.8 4.0 12.2 37 16 B Y H X5S+ 0 0 62 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.939 112.9 46.6 -61.2 -42.8 -11.2 4.0 8.8 38 17 B L H <5S+ 0 0 127 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.939 118.6 39.8 -64.1 -47.2 -12.1 0.4 8.4 39 18 B V H <5S+ 0 0 20 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.751 128.6 27.9 -77.0 -29.6 -15.6 0.8 9.6 40 19 B c H ><5S+ 0 0 4 -4,-2.9 3,-2.0 -5,-0.2 4,-0.3 0.735 78.2 158.5 -99.5 -39.7 -16.5 4.1 7.9 41 20 B G G >< 0 0 60 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-164.8 -9.7 16.5 -1.7 53 2 C I H > + 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.844 360.0 56.2 -64.8 -37.6 -6.9 15.7 0.7 54 3 C V H > S+ 0 0 16 46,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.917 115.8 37.7 -61.5 -43.4 -7.6 12.0 0.8 55 4 C E H >>S+ 0 0 44 -3,-0.2 4,-3.3 2,-0.2 5,-0.5 0.922 114.9 53.6 -74.8 -44.4 -7.2 11.9 -3.0 56 5 C Q H X5S+ 0 0 63 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.901 107.1 50.0 -58.4 -44.5 -4.4 14.3 -3.2 57 6 C d H <5S+ 0 0 0 -4,-2.8 22,-2.5 1,-0.2 5,-0.3 0.801 119.3 40.0 -65.2 -28.5 -2.1 12.6 -0.7 58 7 C e H <5S+ 0 0 42 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.876 123.8 33.2 -88.4 -42.7 -2.7 9.3 -2.5 59 8 C T H <5S+ 0 0 112 -4,-3.3 -3,-0.2 20,-0.1 -2,-0.2 0.778 138.9 1.7 -85.5 -27.3 -2.6 10.3 -6.2 60 9 C S S < - 0 0 21 -2,-0.3 4,-2.2 13,-0.2 3,-0.1 -0.665 24.6-116.4-108.0 163.5 2.4 17.9 3.2 64 13 C L H > S+ 0 0 34 11,-0.4 4,-2.0 1,-0.2 5,-0.1 0.804 117.9 59.3 -64.6 -28.2 1.9 17.6 6.9 65 14 C Y H > S+ 0 0 135 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.880 105.5 46.9 -69.7 -36.5 0.9 21.3 6.8 66 15 C Q H >4 S+ 0 0 72 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.897 111.0 53.0 -66.9 -41.9 -1.9 20.5 4.4 67 16 C L H >< S+ 0 0 0 -4,-2.2 3,-2.7 1,-0.2 -2,-0.2 0.886 97.4 65.9 -56.8 -37.0 -2.9 17.6 6.7 68 17 C E H >< S+ 0 0 76 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.774 85.8 72.0 -65.6 -21.4 -3.0 19.9 9.7 69 18 C N T << S+ 0 0 118 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.649 92.2 58.3 -64.5 -13.6 -6.0 21.6 8.0 70 19 C Y T < S+ 0 0 61 -3,-2.7 28,-2.0 -4,-0.2 -1,-0.3 0.383 81.0 108.8 -98.7 1.1 -8.1 18.6 8.8 71 20 C f B < C 97 0B 16 -3,-1.9 26,-0.3 26,-0.2 25,-0.1 -0.464 360.0 360.0 -70.9 153.9 -7.5 18.7 12.5 72 21 C N 0 0 91 24,-2.0 -1,-0.1 -25,-0.2 -2,-0.1 -0.341 360.0 360.0 -72.1 360.0 -10.4 19.7 14.6 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 0 187 0, 0.0 2,-0.3 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 152.5 9.0 17.9 7.3 75 2 D V - 0 0 108 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.703 360.0 -92.1-103.8 158.0 8.9 16.1 3.9 76 3 D N - 0 0 102 -2,-0.3 2,-0.4 -13,-0.1 -13,-0.2 -0.357 44.7-134.6 -68.3 158.7 6.0 15.7 1.5 77 4 D Q B -D 62 0C 42 -15,-3.4 -15,-2.1 -2,-0.1 2,-0.6 -0.860 18.3-158.7-124.6 142.8 4.0 12.6 1.9 78 5 D H + 0 0 125 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.965 33.4 170.5-120.0 107.8 2.5 10.0 -0.4 79 6 D L + 0 0 19 -22,-2.5 2,-0.3 -2,-0.6 -19,-0.1 -0.961 11.0 175.5-135.2 119.7 -0.3 8.5 1.7 80 7 D e > - 0 0 44 -2,-0.5 3,-2.1 -22,-0.1 4,-0.3 -0.844 52.2 -22.7-118.1 154.4 -3.0 6.1 0.6 81 8 D G T >> S- 0 0 28 -2,-0.3 3,-1.5 1,-0.3 4,-0.9 -0.109 129.2 -2.2 58.0-134.2 -5.7 4.4 2.4 82 9 D S H 3> S+ 0 0 30 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.698 123.6 72.8 -66.7 -19.0 -5.2 3.9 6.1 83 10 D H H <> S+ 0 0 116 -3,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.833 93.9 54.3 -66.9 -26.6 -1.7 5.6 5.9 84 11 D L H <> S+ 0 0 0 -3,-1.5 4,-2.8 -4,-0.3 -1,-0.2 0.915 107.7 49.4 -70.3 -41.1 -3.5 8.9 5.5 85 12 D V H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.895 109.2 51.7 -65.3 -38.8 -5.4 8.3 8.6 86 13 D E H X S+ 0 0 44 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.907 110.9 49.0 -60.6 -43.8 -2.3 7.4 10.5 87 14 D A H X S+ 0 0 10 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.926 110.2 49.3 -65.3 -43.5 -0.7 10.6 9.4 88 15 D L H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.909 109.9 53.3 -60.2 -42.4 -3.7 12.7 10.3 89 16 D Y H X S+ 0 0 55 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.939 112.5 43.0 -54.7 -46.0 -3.7 11.0 13.7 90 17 D L H < S+ 0 0 130 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 117.5 47.3 -71.6 -38.5 0.0 11.9 14.2 91 18 D V H < S+ 0 0 29 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.888 120.4 34.4 -68.6 -40.4 -0.5 15.4 12.9 92 19 D f H >< S+ 0 0 3 -4,-2.8 3,-2.2 -5,-0.2 -2,-0.2 0.766 79.3 170.9 -92.6 -27.3 -3.6 16.3 14.9 93 20 D G G >< S- 0 0 31 -4,-2.3 3,-2.0 -5,-0.3 -1,-0.2 -0.215 72.8 -0.4 54.0-130.6 -3.0 14.5 18.1 94 21 D E G 3 S+ 0 0 146 1,-0.3 -44,-0.4 -45,-0.1 -1,-0.3 0.681 126.8 68.0 -68.5 -15.0 -5.5 15.4 20.8 95 22 D R G < S- 0 0 82 -3,-2.2 -1,-0.3 1,-0.1 -23,-0.2 0.796 91.4-158.6 -68.6 -26.4 -7.2 17.8 18.4 96 23 D G < - 0 0 0 -3,-2.0 -24,-2.0 -7,-0.2 2,-0.3 -0.130 5.3-133.0 66.7-166.9 -8.4 14.8 16.4 97 24 D F E -BC 47 71B 0 -50,-1.5 -50,-3.2 -26,-0.3 2,-0.4 -0.953 6.6-106.1-166.9 171.2 -9.4 15.3 12.9 98 25 D F E -B 46 0B 74 -28,-2.0 2,-0.6 -2,-0.3 -52,-0.2 -0.966 20.0-151.9-120.8 141.4 -12.0 14.6 10.3 99 26 D Y E +B 45 0B 9 -54,-3.3 -54,-2.1 -2,-0.4 -14,-0.0 -0.942 21.8 169.2-113.8 114.2 -11.4 12.1 7.5 100 27 D T - 0 0 81 -2,-0.6 -46,-0.4 -56,-0.2 -47,-0.2 -0.751 8.9-173.9-134.5 85.7 -13.5 13.0 4.4 101 28 D P 0 0 20 0, 0.0 -48,-0.1 0, 0.0 -2,-0.0 -0.272 360.0 360.0 -66.6 157.1 -12.7 11.1 1.2 102 29 D K 0 0 193 -50,-0.1 -58,-0.1 -58,-0.0 0, 0.0 -0.488 360.0 360.0 -59.8 360.0 -14.4 12.0 -2.0