==== 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 06-MAY-12 4F1G . 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) . 5904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 68.3 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 . 16 15.8 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 . 3 3.0 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 31 0, 0.0 4,-2.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-162.5 -0.6 19.9 -28.4 2 2 A I H > + 0 0 1 47,-0.3 4,-3.0 1,-0.2 5,-0.5 0.823 360.0 53.4 -52.3 -39.0 0.7 17.2 -26.1 3 3 A V H >>S+ 0 0 32 2,-0.2 5,-2.5 1,-0.2 4,-2.0 0.900 111.9 42.8 -65.4 -43.4 -0.4 14.4 -28.5 4 4 A E H 4>S+ 0 0 83 -3,-0.5 5,-2.4 3,-0.2 -2,-0.2 0.924 119.4 44.1 -67.3 -43.9 1.3 15.8 -31.5 5 5 A Q H <5S+ 0 0 88 -4,-2.7 -2,-0.2 3,-0.2 -3,-0.2 0.907 130.3 20.9 -67.4 -42.2 4.5 16.7 -29.5 6 6 A a H <5S+ 0 0 0 -4,-3.0 22,-3.5 -5,-0.2 5,-0.5 0.664 132.1 27.3-108.1 -28.5 4.8 13.4 -27.5 7 7 A b T <5S+ 0 0 29 -4,-2.0 -3,-0.2 -5,-0.5 22,-0.1 0.833 127.8 34.1 -99.7 -56.7 2.8 10.6 -29.2 8 8 A T T -A 25 0A 19 -2,-0.3 4,-2.3 13,-0.2 13,-0.2 -0.466 35.2-104.8 -85.8 167.3 11.7 14.4 -23.8 13 13 A L H > S+ 0 0 63 11,-0.8 4,-0.9 1,-0.2 12,-0.1 0.870 122.7 56.5 -59.3 -35.9 10.9 14.3 -20.1 14 14 A Y H >4 S+ 0 0 146 2,-0.2 3,-0.6 1,-0.2 4,-0.3 0.874 104.2 50.7 -62.7 -42.2 11.6 18.1 -20.0 15 15 A Q H >4 S+ 0 0 59 1,-0.2 3,-2.4 2,-0.2 4,-0.3 0.920 104.4 59.6 -63.0 -40.9 9.1 18.8 -22.8 16 16 A L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.795 92.2 66.5 -53.4 -30.4 6.6 16.8 -20.8 17 17 A E G X< S+ 0 0 76 -4,-0.9 3,-1.6 -3,-0.6 -1,-0.3 0.667 81.2 80.0 -64.3 -14.8 7.1 19.3 -17.9 18 18 A N G < S+ 0 0 109 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.744 92.1 51.0 -62.5 -19.3 5.5 21.9 -20.2 19 19 A Y G < S+ 0 0 34 -3,-1.6 28,-2.1 -4,-0.3 -1,-0.2 0.279 85.6 109.4-104.2 8.9 2.1 20.4 -19.2 20 20 A c B < B 46 0B 17 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.513 360.0 360.0 -74.0 153.3 2.6 20.5 -15.4 21 21 A N 0 0 98 24,-2.1 -1,-0.1 80,-0.2 24,-0.1 -0.131 360.0 360.0 -84.4 360.0 0.6 23.0 -13.4 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 0 193 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0-151.8 17.4 11.4 -20.4 24 2 B V - 0 0 100 -13,-0.1 -11,-0.8 2,-0.0 2,-0.4 -0.747 360.0-125.8-121.0 170.7 15.8 10.1 -23.6 25 3 B N E +A 12 0A 87 -2,-0.2 -13,-0.2 -13,-0.2 2,-0.2 -0.995 38.8 158.6-108.3 124.9 13.0 11.0 -26.2 26 4 B Q E -A 11 0A 116 -15,-1.4 -15,-1.7 -2,-0.4 2,-0.5 -0.795 48.6 -88.2-132.5 174.3 10.3 8.3 -26.9 27 5 B H - 0 0 123 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.818 43.2-173.6 -82.4 125.9 6.7 8.0 -28.3 28 6 B L + 0 0 11 -22,-3.5 2,-0.4 -2,-0.5 -20,-0.1 -0.980 12.3 168.7-125.3 115.3 4.3 8.3 -25.3 29 7 B b > - 0 0 48 -2,-0.5 3,-1.6 -22,-0.1 4,-0.3 -0.941 41.3 -22.0-134.0 145.9 0.6 7.7 -26.2 30 8 B G T >> S- 0 0 20 -2,-0.4 4,-1.8 1,-0.3 3,-0.8 -0.187 127.6 -2.9 66.0-138.8 -2.6 7.2 -24.4 31 9 B S H 3> S+ 0 0 31 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.816 133.2 61.6 -61.2 -27.0 -2.5 6.0 -20.9 32 10 B H H <> S+ 0 0 129 -3,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.850 101.4 53.1 -66.9 -34.3 1.3 5.8 -21.2 33 11 B L H <> S+ 0 0 1 -3,-0.8 4,-2.4 -4,-0.3 -2,-0.2 0.932 110.5 45.1 -65.8 -42.9 1.4 9.6 -21.9 34 12 B V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.877 109.5 55.6 -77.5 -30.7 -0.6 10.4 -18.8 35 13 B E H X S+ 0 0 58 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.902 109.2 48.6 -58.8 -38.3 1.5 8.0 -16.7 36 14 B A H X S+ 0 0 16 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.931 110.2 50.2 -66.6 -42.6 4.6 9.9 -17.8 37 15 B L H X>S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.6 0.918 110.1 51.7 -59.2 -44.5 3.0 13.3 -17.0 38 16 B Y H X5S+ 0 0 63 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.941 112.8 45.6 -55.2 -49.0 2.1 11.9 -13.5 39 17 B L H <5S+ 0 0 142 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.943 119.2 39.8 -56.9 -51.1 5.8 10.8 -13.1 40 18 B V H <5S+ 0 0 26 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.875 126.8 31.7 -69.2 -42.8 7.2 14.1 -14.3 41 19 B c H ><5S+ 0 0 4 -4,-3.3 3,-2.1 -5,-0.2 4,-0.2 0.808 76.1 157.3 -89.3 -42.6 4.7 16.5 -12.6 42 20 B G G >< + 0 0 27 -2,-0.6 3,-1.2 49,-0.2 -47,-0.3 -0.726 11.5 174.3-134.3 83.0 -5.8 18.1 -23.1 50 28 B P T 3 S+ 0 0 22 0, 0.0 -47,-0.2 0, 0.0 -46,-0.1 0.789 79.7 61.9 -67.5 -24.5 -5.6 16.2 -26.3 51 29 B K T 3 0 0 172 45,-0.5 46,-0.1 1,-0.2 47,-0.0 0.687 360.0 360.0 -75.5 -25.4 -7.9 18.5 -28.3 52 30 B T < 0 0 105 -3,-1.2 -1,-0.2 0, 0.0 -4,-0.0 -0.467 360.0 360.0 151.2 360.0 -5.1 20.9 -27.5 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 64 0, 0.0 4,-2.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-170.3 -9.6 16.9 -2.8 55 2 C I H > + 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.841 360.0 56.8 -60.7 -39.1 -10.3 14.0 -5.3 56 3 C V H > S+ 0 0 17 46,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.903 115.9 36.4 -58.7 -47.8 -6.8 12.8 -5.4 57 4 C E H > S+ 0 0 50 -3,-0.2 4,-3.3 2,-0.2 5,-0.5 0.864 114.5 55.7 -74.5 -38.5 -6.8 12.3 -1.6 58 5 C Q H X S+ 0 0 62 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 106.2 49.9 -59.9 -46.7 -10.4 11.1 -1.3 59 6 C d H < S+ 0 0 0 -4,-2.7 22,-2.1 1,-0.2 5,-0.2 0.800 119.4 39.1 -66.7 -28.7 -10.0 8.3 -3.8 60 7 C e H < S+ 0 0 43 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.876 121.9 36.7 -88.9 -43.3 -6.9 7.1 -2.0 61 8 C T H < S- 0 0 118 -4,-3.3 -3,-0.2 20,-0.1 -2,-0.2 0.811 139.3 -4.4 -81.8 -29.7 -7.8 7.6 1.8 62 9 C S S < S- 0 0 59 -4,-2.2 2,-0.3 -5,-0.5 -3,-0.1 0.081 99.1 -71.2-125.7-117.8 -11.4 6.6 1.3 63 10 C I - 0 0 84 17,-0.1 2,-0.3 -2,-0.0 17,-0.2 -0.952 35.4-167.2-141.4 165.0 -13.3 5.7 -1.9 64 11 C d B -E 79 0C 1 15,-2.0 15,-3.1 -2,-0.3 2,-0.2 -0.978 16.3-123.7-147.9 159.7 -14.6 7.6 -4.9 65 12 C S > - 0 0 21 -2,-0.3 4,-2.0 13,-0.2 5,-0.1 -0.625 24.3-118.3-102.7 160.5 -17.0 7.0 -7.8 66 13 C L H > S+ 0 0 38 11,-0.4 4,-1.8 1,-0.2 5,-0.1 0.809 117.6 57.7 -58.9 -33.7 -16.5 7.3 -11.6 67 14 C Y H > S+ 0 0 139 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.880 106.0 47.5 -67.4 -38.1 -19.2 10.0 -11.5 68 15 C Q H >4 S+ 0 0 76 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.897 111.7 51.3 -67.2 -43.2 -17.1 12.1 -9.0 69 16 C L H >< S+ 0 0 0 -4,-2.0 3,-2.5 1,-0.3 -2,-0.2 0.863 98.1 66.3 -59.5 -36.7 -14.0 11.5 -11.3 70 17 C E H >< S+ 0 0 82 -4,-1.8 3,-1.5 1,-0.3 -1,-0.3 0.757 86.0 72.1 -61.8 -23.2 -16.0 12.7 -14.3 71 18 C N T << S+ 0 0 118 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.674 91.9 57.5 -61.7 -18.0 -16.1 16.1 -12.7 72 19 C Y T < S+ 0 0 60 -3,-2.5 28,-1.9 -4,-0.2 -1,-0.2 0.389 80.7 109.6 -98.2 1.1 -12.3 16.5 -13.5 73 20 C f B < D 99 0B 16 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.443 360.0 360.0 -66.4 152.4 -12.7 16.0 -17.2 74 21 C N 0 0 89 24,-2.2 -1,-0.1 -26,-0.2 -2,-0.1 -0.365 360.0 360.0 -74.6 360.0 -12.1 19.1 -19.4 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 0 184 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 154.4 -20.3 1.1 -11.9 77 2 D V - 0 0 110 1,-0.1 -11,-0.4 -12,-0.0 2,-0.0 -0.723 360.0 -92.2-108.1 157.3 -18.7 0.4 -8.5 78 3 D N - 0 0 103 -2,-0.3 2,-0.4 -13,-0.1 -13,-0.2 -0.287 44.8-136.0 -68.6 158.2 -16.9 2.7 -6.1 79 4 D Q B -E 64 0C 45 -15,-3.1 -15,-2.0 2,-0.1 2,-0.5 -0.892 18.4-157.4-125.1 147.8 -13.1 2.9 -6.4 80 5 D H + 0 0 125 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.952 33.3 170.0-123.1 105.8 -10.1 2.9 -4.2 81 6 D L + 0 0 21 -22,-2.1 2,-0.3 -2,-0.5 -20,-0.1 -0.946 11.7 173.5-131.0 124.8 -7.4 4.6 -6.2 82 7 D e > - 0 0 48 -2,-0.5 3,-1.8 -22,-0.1 4,-0.2 -0.851 51.9 -19.9-125.6 157.8 -3.9 5.8 -5.3 83 8 D G T >> S- 0 0 31 -2,-0.3 3,-1.2 1,-0.3 4,-0.8 -0.143 128.8 -3.5 55.5-136.3 -1.0 7.2 -7.1 84 9 D S H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.727 123.6 74.3 -60.4 -23.6 -0.8 6.5 -10.8 85 10 D H H <> S+ 0 0 124 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.862 93.5 53.9 -62.9 -32.5 -4.0 4.4 -10.5 86 11 D L H <> S+ 0 0 1 -3,-1.2 4,-2.7 -4,-0.2 -1,-0.2 0.904 107.3 49.9 -62.7 -43.3 -6.0 7.5 -10.2 87 12 D V H X S+ 0 0 0 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.899 109.3 51.4 -62.9 -40.3 -4.5 9.0 -13.4 88 13 D E H X S+ 0 0 48 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.889 111.3 48.4 -59.3 -44.7 -5.3 5.7 -15.3 89 14 D A H X S+ 0 0 12 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.936 111.0 49.6 -66.5 -44.8 -9.0 6.0 -14.0 90 15 D L H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.902 109.0 53.6 -57.9 -42.0 -9.2 9.6 -15.1 91 16 D Y H X S+ 0 0 56 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.939 112.0 44.5 -57.5 -43.7 -7.8 8.7 -18.5 92 17 D L H < S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.909 115.9 46.7 -68.8 -43.0 -10.5 6.0 -19.0 93 18 D V H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.840 119.5 37.1 -67.9 -39.6 -13.3 8.2 -17.7 94 19 D f H >< S+ 0 0 3 -4,-2.6 3,-2.0 -5,-0.2 -1,-0.2 0.718 77.3 173.4 -92.5 -25.3 -12.5 11.3 -19.7 95 20 D G G >< S- 0 0 33 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.2 -0.190 73.1 -5.0 53.1-132.0 -11.3 10.0 -23.1 96 21 D E G 3 S+ 0 0 147 1,-0.3 -45,-0.5 -47,-0.1 -1,-0.3 0.617 126.5 71.4 -73.1 -10.6 -10.6 12.7 -25.7 97 22 D R G < S- 0 0 110 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.819 90.6-159.0 -69.3 -26.9 -12.0 15.3 -23.3 98 23 D G < - 0 0 0 -3,-1.7 -24,-2.2 -7,-0.2 2,-0.3 -0.109 4.6-131.3 67.4-174.2 -8.8 14.9 -21.2 99 24 D F E -CD 48 73B 0 -51,-1.4 -51,-3.0 -26,-0.3 2,-0.4 -0.961 5.9-107.7-160.2 171.8 -8.7 16.0 -17.6 100 25 D F E -C 47 0B 70 -28,-1.9 2,-0.6 -2,-0.3 -53,-0.2 -0.950 19.6-154.4-116.3 139.3 -6.8 17.9 -14.9 101 26 D Y E +C 46 0B 10 -55,-3.0 -55,-1.9 -2,-0.4 -80,-0.2 -0.940 21.2 168.2-114.1 116.6 -4.9 16.2 -12.1 102 27 D T - 0 0 58 -2,-0.6 -46,-0.3 -57,-0.2 -47,-0.2 -0.721 9.7-173.3-138.0 86.8 -4.6 18.4 -9.1 103 28 D P 0 0 28 0, 0.0 -48,-0.0 0, 0.0 -2,-0.0 -0.246 360.0 360.0 -69.3 158.9 -3.3 16.9 -5.8 104 29 D K 0 0 198 -50,-0.1 -59,-0.1 -59,-0.0 0, 0.0 -0.466 360.0 360.0 -62.7 360.0 -3.3 18.8 -2.5