==== 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 04-MAY-12 4F0O . 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 . 101 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 67.3 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 12.9 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 30.7 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 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 35 0, 0.0 4,-2.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-159.3 17.3 9.6 29.1 2 2 A I H >> + 0 0 3 47,-0.3 4,-2.8 1,-0.2 5,-0.5 0.842 360.0 50.5 -49.1 -46.0 14.3 9.3 26.6 3 3 A V H >>S+ 0 0 29 2,-0.2 5,-2.4 3,-0.2 4,-2.0 0.941 115.0 43.8 -61.8 -41.1 12.5 6.8 28.9 4 4 A E H 4>S+ 0 0 84 -3,-0.3 5,-2.3 3,-0.2 -2,-0.2 0.942 118.6 43.2 -68.7 -43.7 12.9 9.1 31.8 5 5 A Q H <5S+ 0 0 92 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.897 130.4 20.1 -66.5 -41.8 11.9 12.2 29.9 6 6 A a H <5S+ 0 0 0 -4,-2.8 22,-3.3 -5,-0.2 5,-0.5 0.662 130.9 29.4-113.0 -23.1 9.0 10.8 27.9 7 7 A b T < -A 25 0A 18 -2,-0.3 4,-2.1 13,-0.2 13,-0.2 -0.414 32.7-110.0 -89.0 164.1 6.5 17.3 24.1 13 13 A L H > S+ 0 0 53 11,-0.7 4,-1.2 1,-0.2 -1,-0.1 0.863 122.3 56.2 -59.2 -35.3 6.7 16.5 20.4 14 14 A Y H 4 S+ 0 0 141 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.889 104.1 50.8 -62.5 -44.8 9.5 19.1 20.4 15 15 A Q H >4 S+ 0 0 60 1,-0.2 3,-2.0 2,-0.2 -2,-0.2 0.908 103.7 59.8 -60.8 -39.5 11.4 17.3 23.1 16 16 A L H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 -1,-0.2 0.850 91.0 69.0 -57.4 -31.3 11.1 14.1 21.0 17 17 A E G >< S+ 0 0 75 -4,-1.2 3,-1.6 -3,-0.3 -1,-0.3 0.731 80.0 79.1 -60.7 -17.2 13.0 15.8 18.2 18 18 A N G < S+ 0 0 114 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.712 92.2 51.8 -60.7 -20.1 16.1 15.7 20.5 19 19 A Y G < S+ 0 0 35 -3,-2.3 28,-2.0 -4,-0.2 -1,-0.3 0.309 84.0 109.9-104.8 8.0 16.4 12.0 19.4 20 20 A c B < B 46 0B 17 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.476 360.0 360.0 -73.4 155.0 16.3 12.5 15.7 21 21 A N 0 0 98 24,-1.9 24,-0.1 80,-0.2 -1,-0.1 -0.234 360.0 360.0 -81.4 360.0 19.5 12.0 13.7 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 0 186 0, 0.0 2,-0.3 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0-135.4 1.2 20.7 20.7 24 2 B V - 0 0 93 -13,-0.1 -11,-0.7 2,-0.0 2,-0.4 -0.897 360.0-126.3-135.4 172.8 0.9 18.6 23.9 25 3 B N E +A 12 0A 84 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.997 40.7 155.7-112.4 124.4 2.9 16.7 26.6 26 4 B Q E -A 11 0A 108 -15,-1.5 -15,-1.6 -2,-0.4 2,-0.5 -0.844 48.6 -87.4-136.8 171.6 1.8 13.1 27.3 27 5 B H - 0 0 121 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.2 -0.793 42.8-175.1 -80.5 126.7 3.3 9.7 28.6 28 6 B L + 0 0 10 -22,-3.3 2,-0.4 -2,-0.5 -20,-0.1 -0.970 8.2 173.1-128.5 113.4 4.9 7.8 25.7 29 7 B b > - 0 0 50 -2,-0.5 3,-1.7 -22,-0.1 4,-0.5 -0.925 43.0 -33.9-125.6 143.4 6.2 4.3 26.5 30 8 B G T 3> S+ 0 0 16 -2,-0.4 4,-2.2 1,-0.3 3,-0.4 -0.144 127.4 4.6 60.5-132.0 7.7 1.4 24.6 31 9 B S H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.835 133.2 56.6 -63.7 -25.7 6.3 0.8 21.2 32 10 B H H <> S+ 0 0 132 -3,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.891 105.1 52.0 -70.0 -36.8 4.2 4.0 21.5 33 11 B L H > S+ 0 0 0 -4,-0.5 4,-2.5 -3,-0.4 -2,-0.2 0.940 111.2 46.5 -61.2 -48.7 7.4 6.0 22.2 34 12 B V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.874 108.8 54.7 -67.9 -33.1 9.1 4.6 19.1 35 13 B E H X S+ 0 0 59 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.909 109.8 48.6 -61.3 -38.5 5.9 5.3 17.0 36 14 B A H X S+ 0 0 16 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.907 109.6 50.9 -69.5 -41.7 6.1 8.9 18.2 37 15 B L H X>S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.6 0.927 110.7 49.7 -60.1 -42.0 9.9 9.2 17.3 38 16 B Y H X5S+ 0 0 63 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.930 112.1 48.8 -63.3 -44.4 9.1 7.8 13.8 39 17 B L H <5S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.933 118.0 38.8 -57.2 -47.4 6.3 10.4 13.5 40 18 B V H <5S+ 0 0 22 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.800 129.5 28.1 -76.0 -32.6 8.5 13.3 14.6 41 19 B c H ><5S+ 0 0 5 -4,-2.6 3,-2.1 -5,-0.2 4,-0.2 0.781 76.8 154.1-101.6 -43.0 11.8 12.3 12.9 42 20 B G G >< + 0 0 28 -2,-0.6 3,-1.4 49,-0.2 -47,-0.3 -0.681 9.3 172.7-134.5 73.5 18.4 4.0 23.4 50 28 B P T 3 S+ 0 0 22 0, 0.0 -47,-0.2 0, 0.0 -46,-0.1 0.727 77.8 65.2 -61.2 -21.8 16.4 3.3 26.6 51 29 B K T 3 0 0 162 45,-0.4 46,-0.1 1,-0.3 47,-0.0 0.741 360.0 360.0 -71.7 -29.7 19.6 2.3 28.6 52 30 B T < 0 0 109 -3,-1.4 -1,-0.3 0, 0.0 -4,-0.0 -0.680 360.0 360.0 138.5 360.0 20.4 5.9 27.9 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 65 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-172.3 19.6 0.1 3.2 55 2 C I H > + 0 0 9 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.851 360.0 56.1 -55.4 -43.3 17.5 -1.9 5.6 56 3 C V H > S+ 0 0 17 46,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.956 115.8 37.7 -57.0 -52.3 14.7 0.6 5.7 57 4 C E H > S+ 0 0 47 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.896 114.7 54.2 -67.2 -44.2 14.3 0.4 2.0 58 5 C Q H X S+ 0 0 62 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.900 106.3 51.3 -56.7 -46.7 15.0 -3.4 1.6 59 6 C d H < S+ 0 0 0 -4,-2.6 22,-2.0 1,-0.2 5,-0.2 0.827 118.5 39.7 -60.4 -32.9 12.3 -4.4 4.2 60 7 C e H < S+ 0 0 43 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.887 121.8 35.9 -87.0 -46.1 9.8 -2.3 2.2 61 8 C T H < S- 0 0 119 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.801 138.3 -4.1 -83.4 -30.8 10.6 -2.9 -1.4 62 9 C S S < S- 0 0 62 -4,-2.1 2,-0.3 -5,-0.4 19,-0.1 0.063 98.9 -70.6-122.5-116.9 11.6 -6.5 -1.0 63 10 C I - 0 0 89 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.940 35.8-169.4-140.3 166.0 11.8 -8.6 2.2 64 11 C d B -E 79 0C 1 15,-2.1 15,-3.0 -2,-0.3 2,-0.2 -0.972 17.1-125.3-152.1 160.3 14.0 -8.8 5.2 65 12 C S > - 0 0 21 -2,-0.3 4,-1.8 13,-0.2 3,-0.2 -0.675 25.5-115.4-106.6 164.9 14.6 -11.1 8.2 66 13 C L H > S+ 0 0 36 11,-0.4 4,-2.2 -2,-0.2 5,-0.1 0.824 118.0 59.2 -64.5 -26.4 14.5 -10.5 11.9 67 14 C Y H > S+ 0 0 138 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.880 104.7 47.2 -75.2 -36.3 18.2 -11.5 11.9 68 15 C Q H >4 S+ 0 0 73 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.873 111.7 52.4 -65.3 -39.3 19.0 -8.7 9.4 69 16 C L H >< S+ 0 0 0 -4,-1.8 3,-2.7 1,-0.2 -2,-0.2 0.892 96.5 67.1 -62.7 -37.5 17.0 -6.3 11.7 70 17 C E H >< S+ 0 0 81 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.755 86.2 71.4 -58.3 -22.9 19.0 -7.4 14.7 71 18 C N T << S+ 0 0 120 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.668 92.4 57.8 -67.2 -15.9 22.0 -5.7 13.1 72 19 C Y T < S+ 0 0 59 -3,-2.7 28,-2.2 -4,-0.2 -1,-0.3 0.375 81.8 109.2 -99.1 2.8 20.4 -2.3 13.9 73 20 C f B < D 99 0B 16 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.455 360.0 360.0 -71.8 154.1 20.2 -2.9 17.6 74 21 C N 0 0 87 24,-2.0 -1,-0.1 -26,-0.2 -2,-0.1 -0.397 360.0 360.0 -75.6 360.0 22.4 -0.9 19.9 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 0 181 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 160.6 11.2 -16.9 12.2 77 2 D V - 0 0 108 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.682 360.0 -92.5-107.5 161.4 9.7 -15.9 8.9 78 3 D N - 0 0 104 -2,-0.2 2,-0.4 -13,-0.1 -13,-0.2 -0.332 43.2-136.3 -73.9 157.9 10.7 -13.2 6.4 79 4 D Q B -E 64 0C 42 -15,-3.0 -15,-2.1 -2,-0.1 2,-0.5 -0.901 19.2-160.9-126.7 139.1 9.2 -9.8 6.7 80 5 D H + 0 0 128 -2,-0.4 2,-0.4 -17,-0.2 -20,-0.2 -0.964 33.1 169.8-117.3 109.2 7.7 -7.2 4.4 81 6 D L + 0 0 21 -22,-2.0 2,-0.3 -2,-0.5 -20,-0.1 -0.961 12.1 175.3-135.2 118.2 7.8 -3.9 6.4 82 7 D e > - 0 0 45 -2,-0.4 3,-1.8 -22,-0.1 4,-0.4 -0.820 53.3 -25.8-119.6 154.6 7.1 -0.3 5.4 83 8 D G T >> S+ 0 0 29 -2,-0.3 3,-1.2 1,-0.3 4,-1.0 -0.062 128.9 0.6 49.4-129.2 6.9 2.9 7.4 84 9 D S H 3> S+ 0 0 32 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.737 124.4 69.5 -64.0 -24.7 6.0 2.6 11.0 85 10 D H H <> S+ 0 0 123 -3,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.837 96.3 54.0 -65.0 -31.0 5.7 -1.2 10.8 86 11 D L H <> S+ 0 0 1 -3,-1.2 4,-2.5 -4,-0.4 -1,-0.2 0.892 107.4 50.3 -66.7 -44.1 9.5 -1.4 10.4 87 12 D V H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.868 108.2 52.5 -63.9 -36.4 10.0 0.6 13.5 88 13 D E H X S+ 0 0 49 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.916 109.9 49.3 -61.0 -43.2 7.6 -1.7 15.4 89 14 D A H X S+ 0 0 12 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.911 109.7 50.0 -64.8 -44.1 9.7 -4.7 14.3 90 15 D L H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.914 109.5 53.0 -58.9 -43.8 13.0 -3.1 15.3 91 16 D Y H X S+ 0 0 57 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.925 112.5 43.5 -55.8 -45.6 11.4 -2.3 18.7 92 17 D L H < S+ 0 0 135 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.908 116.7 46.7 -70.3 -43.2 10.4 -6.0 19.2 93 18 D V H < S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 121.3 33.9 -65.8 -39.7 13.6 -7.4 17.9 94 19 D f H >< S+ 0 0 5 -4,-2.6 3,-2.0 -5,-0.2 -2,-0.2 0.765 79.9 170.9 -93.9 -29.8 16.0 -5.1 19.9 95 20 D G G >< S- 0 0 31 -4,-2.2 3,-2.0 -5,-0.3 -1,-0.2 -0.204 71.9 -2.3 54.3-131.1 14.0 -4.6 23.2 96 21 D E G 3 S+ 0 0 149 1,-0.3 -45,-0.4 -46,-0.1 -1,-0.3 0.626 124.0 72.6 -69.9 -14.2 16.0 -2.9 25.9 97 22 D R G < S- 0 0 105 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.785 93.3-151.8 -64.7 -28.2 19.1 -2.8 23.7 98 23 D G < - 0 0 0 -3,-2.0 -24,-2.0 -7,-0.2 2,-0.3 -0.145 8.4-135.1 71.5-175.3 17.4 -0.1 21.7 99 24 D F E -CD 48 73B 0 -51,-1.9 -51,-3.0 -26,-0.3 2,-0.4 -0.967 6.7-111.7-162.4 169.0 18.1 0.5 18.0 100 25 D F E -C 47 0B 70 -28,-2.2 2,-0.7 -2,-0.3 -53,-0.2 -0.972 17.0-154.0-119.5 135.5 18.8 3.1 15.3 101 26 D Y E +C 46 0B 11 -55,-2.9 -55,-1.9 -2,-0.4 -80,-0.2 -0.922 22.0 170.1-107.1 112.6 16.4 3.8 12.5 102 27 D T - 0 0 55 -2,-0.7 -46,-0.3 -57,-0.2 -47,-0.1 -0.709 6.6-178.1-132.8 82.6 18.3 5.1 9.5 103 28 D P 0 0 25 0, 0.0 -48,-0.0 0, 0.0 -2,-0.0 -0.279 360.0 360.0 -70.6 161.0 16.4 5.5 6.2 104 29 D K 0 0 195 -50,-0.1 -59,-0.1 -2,-0.0 0, 0.0 -0.521 360.0 360.0 -69.6 360.0 18.0 6.7 3.0