==== 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 27-JUL-12 4GBI . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.T.R.LIMA,M.P.FAVERO-RETTO,L.C.PALMIERI . 101 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 71.3 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 . 8 7.9 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 . 5 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 38.6 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 0 3 0 1 0 0 0 1 0 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 50 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-147.2 19.0 0.8 -14.3 2 2 A I H > + 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.5 0.856 360.0 47.3 -54.6 -39.1 16.3 -0.5 -11.9 3 3 A V H > S+ 0 0 23 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.968 114.0 42.3 -77.4 -50.2 13.5 1.1 -13.8 4 4 A E H > S+ 0 0 122 1,-0.2 4,-0.6 2,-0.2 5,-0.3 0.971 124.3 42.0 -51.9 -49.8 14.3 0.1 -17.3 5 5 A Q H X S+ 0 0 75 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.781 125.7 28.9 -70.8 -35.9 15.2 -3.4 -15.9 6 6 A a H < S+ 0 0 12 -4,-3.0 5,-0.4 -5,-0.2 -3,-0.2 0.671 116.2 54.7-106.4 -24.9 12.3 -3.9 -13.4 7 7 A b H < S+ 0 0 37 -4,-2.2 -2,-0.2 -5,-0.5 -3,-0.1 0.490 115.5 40.9 -82.8 -6.5 9.5 -1.9 -14.9 8 8 A T H < S+ 0 0 107 -4,-0.6 2,-0.2 1,-0.4 -2,-0.2 0.814 128.7 20.2 -97.5 -56.2 9.8 -3.8 -18.3 9 9 A S S < S- 0 0 76 -4,-0.8 2,-0.5 -5,-0.3 -1,-0.4 -0.688 97.6 -93.0-109.6 163.7 10.4 -7.4 -16.9 10 10 A I - 0 0 152 -2,-0.2 2,-0.4 -3,-0.1 -3,-0.1 -0.704 34.5-148.6 -82.8 123.0 9.5 -8.6 -13.4 11 11 A a - 0 0 19 -2,-0.5 2,-0.2 -5,-0.4 -5,-0.0 -0.725 13.8-142.8 -80.9 133.9 12.4 -8.3 -11.0 12 12 A S > - 0 0 51 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.488 34.3 -94.7 -84.6 172.1 12.3 -11.1 -8.4 13 13 A L H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.858 127.2 58.1 -51.8 -36.4 13.3 -10.3 -4.8 14 14 A Y H > S+ 0 0 184 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.963 107.7 43.3 -66.7 -48.2 16.7 -11.5 -5.7 15 15 A Q H >4 S+ 0 0 100 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.847 112.5 54.0 -63.4 -36.3 17.2 -9.0 -8.6 16 16 A L H >< S+ 0 0 10 -4,-2.0 3,-1.9 1,-0.2 -1,-0.3 0.825 96.8 65.7 -67.2 -32.5 15.8 -6.3 -6.5 17 17 A E H >< S+ 0 0 78 -4,-1.9 3,-1.5 -3,-0.5 -1,-0.2 0.722 86.5 73.9 -65.0 -23.8 18.3 -7.0 -3.7 18 18 A N T << S+ 0 0 129 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.743 90.1 56.0 -53.7 -35.9 21.0 -5.9 -6.1 19 19 A Y T < S+ 0 0 76 -3,-1.9 28,-0.5 -4,-0.3 -1,-0.3 0.034 87.8 111.3 -95.0 27.6 20.0 -2.3 -5.7 20 20 A c B < A 46 0A 22 -3,-1.5 26,-0.2 26,-0.1 25,-0.0 -0.437 360.0 360.0 -88.1 170.0 20.4 -2.3 -1.8 21 21 A N 0 0 129 24,-3.0 -2,-0.1 -2,-0.1 -3,-0.0 -0.435 360.0 360.0 58.1 360.0 22.9 -0.5 0.4 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 0 240 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 23.9 4.7 9.8 -17.4 24 2 B V H 3>> + 0 0 80 1,-0.2 4,-4.9 2,-0.2 5,-0.6 0.840 360.0 69.2 -63.2 -44.9 2.8 7.5 -15.0 25 3 B N H 345S+ 0 0 124 1,-0.3 -1,-0.2 2,-0.3 4,-0.0 0.556 111.3 37.4 -68.0 -11.6 3.4 3.9 -15.9 26 4 B Q H <>5S+ 0 0 119 -3,-0.9 4,-2.0 3,-0.1 -1,-0.3 0.658 119.9 49.4 -96.3 -30.4 7.0 4.2 -14.8 27 5 B H H X5S+ 0 0 88 -4,-1.1 4,-1.0 2,-0.2 -2,-0.3 0.779 115.3 42.6 -69.6 -36.0 5.9 6.5 -11.9 28 6 B L H X5S+ 0 0 98 -4,-4.9 4,-0.9 2,-0.2 -3,-0.2 0.777 114.9 52.8 -76.9 -34.1 3.2 4.1 -10.8 29 7 B b H >>X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.3 3,-1.2 0.899 95.3 69.0 -62.3 -42.0 8.3 2.9 -9.2 31 9 B S H 3X S+ 0 0 28 -4,-1.0 4,-1.7 1,-0.3 -1,-0.3 0.929 105.2 43.0 -33.4 -52.7 5.7 3.1 -6.4 32 10 B H H X S+ 0 0 1 -4,-1.6 3,-1.5 -5,-0.2 4,-0.8 0.651 78.4 173.8 -79.9 -7.6 16.6 -4.2 1.9 42 20 B G T 3< - 0 0 33 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.1 -0.195 69.7 -13.7 47.9-113.0 15.5 -4.3 5.5 43 21 B E T 34 S+ 0 0 134 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.690 121.5 78.1 -97.3 -22.6 17.9 -2.3 7.5 44 22 B R T <4 S- 0 0 111 -3,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.834 88.0-150.6 -55.9 -37.1 20.8 -1.8 5.0 45 23 B G < - 0 0 2 -4,-0.8 -24,-3.0 -8,-0.1 2,-0.3 -0.187 5.9-124.7 91.5 171.4 18.7 0.9 3.2 46 24 B F E -AB 20 100A 3 54,-2.4 54,-3.2 -26,-0.2 2,-0.4 -0.950 4.5-126.9-147.7 167.9 18.7 2.0 -0.4 47 25 B F E - B 0 99A 121 -28,-0.5 2,-0.5 -2,-0.3 52,-0.2 -0.923 18.4-160.4-104.5 138.9 19.1 4.9 -2.7 48 26 B Y E + B 0 98A 30 50,-2.9 50,-3.2 -2,-0.4 2,-0.3 -0.922 41.8 109.4-120.5 108.9 16.3 5.6 -5.1 49 27 B T + 0 0 50 -2,-0.5 2,-0.3 48,-0.2 48,-0.1 -0.973 30.3 175.8-162.3 159.8 17.5 7.8 -8.0 50 28 B D 0 0 102 45,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.959 360.0 360.0-158.1 159.7 18.3 7.8 -11.7 51 29 B K 0 0 263 -2,-0.3 44,-0.0 0, 0.0 -2,-0.0 0.238 360.0 360.0 88.7 360.0 19.3 10.3 -14.3 52 !* 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 53 1 C G > 0 0 46 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 133.2 17.0 9.5 11.4 54 2 C I H > + 0 0 0 48,-0.3 4,-2.2 2,-0.2 5,-0.2 0.833 360.0 50.2 -64.5 -35.7 14.0 9.9 9.1 55 3 C V H >>S+ 0 0 17 47,-0.4 4,-2.3 1,-0.2 5,-1.8 0.912 112.9 43.3 -68.5 -45.2 12.5 7.0 11.0 56 4 C E H 45S+ 0 0 65 3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.594 121.4 41.7 -78.4 -15.0 13.2 8.5 14.4 57 5 C Q H <5S+ 0 0 61 -4,-1.2 -2,-0.2 3,-0.1 -1,-0.2 0.714 129.6 25.2-100.0 -24.3 12.0 11.9 13.2 58 6 C d H <5S+ 0 0 0 -4,-2.2 22,-2.9 -5,-0.2 5,-0.3 0.440 130.9 33.2-122.9 -4.3 8.9 10.7 11.1 59 7 C e T <5S+ 0 0 25 -4,-2.3 -3,-0.2 20,-0.2 -4,-0.1 0.680 126.7 34.5-114.5 -52.2 7.9 7.4 12.7 60 8 C T S - 0 0 43 -2,-0.4 4,-1.4 13,-0.1 5,-0.1 -0.443 34.2-105.0 -83.6 168.9 6.2 17.9 8.4 65 13 C L H >> S+ 0 0 73 2,-0.2 3,-2.0 1,-0.2 4,-1.4 0.993 122.7 48.2 -55.3 -67.0 6.5 18.0 4.6 66 14 C Y H >> S+ 0 0 182 1,-0.3 3,-1.7 2,-0.2 4,-1.3 0.925 108.2 57.5 -35.1 -55.0 9.7 20.2 4.8 67 15 C Q H 34 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.794 105.7 49.8 -58.4 -34.6 11.0 17.8 7.3 68 16 C L H X< S+ 0 0 0 -3,-2.0 3,-1.6 -4,-1.4 -1,-0.3 0.792 100.7 61.2 -65.5 -37.2 10.6 15.0 4.8 69 17 C E H X< S+ 0 0 56 -3,-1.7 3,-2.6 -4,-1.4 -2,-0.2 0.692 82.7 81.1 -71.4 -18.8 12.4 16.8 2.0 70 18 C N T 3< S+ 0 0 108 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.806 92.0 53.5 -48.5 -28.9 15.5 16.8 4.1 71 19 C Y T < S+ 0 0 31 -3,-1.6 28,-1.4 -4,-0.2 -1,-0.3 0.225 82.9 108.0-101.2 15.9 15.8 13.3 2.9 72 20 C f B < C 98 0A 8 -3,-2.6 26,-0.3 26,-0.2 18,-0.0 -0.460 360.0 360.0 -81.5 166.7 15.6 13.9 -0.9 73 21 C N 0 0 102 24,-1.6 -1,-0.1 -25,-0.2 24,-0.1 -0.308 360.0 360.0 -69.3 360.0 18.8 13.5 -3.0 74 !* 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 75 1 D F 0 0 132 0, 0.0 2,-0.1 0, 0.0 -10,-0.0 0.000 360.0 360.0 360.0 151.8 0.1 17.4 4.3 76 2 D V - 0 0 53 1,-0.1 2,-1.0 -12,-0.1 -13,-0.2 -0.350 360.0-151.9 -60.5 129.2 -0.6 14.6 7.0 77 3 D N + 0 0 136 -2,-0.1 2,-0.3 -15,-0.1 -1,-0.1 -0.719 64.1 111.1 -91.3 73.4 0.2 15.3 10.6 78 4 D Q S S- 0 0 111 -2,-1.0 -15,-0.8 -15,-0.4 2,-0.5 -0.981 77.9 -97.7-147.1 153.6 0.8 11.6 11.2 79 5 D H - 0 0 103 -2,-0.3 2,-0.7 -17,-0.2 -20,-0.2 -0.659 32.1-151.4 -68.5 121.9 3.6 9.1 11.9 80 6 D L + 0 0 23 -22,-2.9 -22,-0.1 -2,-0.5 -20,-0.1 -0.866 22.2 176.9-100.2 107.8 4.8 7.6 8.6 81 7 D e - 0 0 77 -2,-0.7 2,-0.2 -22,-0.1 -1,-0.1 0.270 45.7 -27.8-106.0 8.6 6.0 4.2 9.7 82 8 D G S >> S+ 0 0 8 20,-0.0 4,-2.0 -23,-0.0 3,-0.6 -0.544 123.2 5.5-176.8-120.0 7.2 1.8 6.9 83 9 D S H 3> S+ 0 0 39 1,-0.3 4,-4.0 2,-0.2 5,-0.2 0.862 130.4 60.6 -59.4 -33.9 6.4 1.3 3.3 84 10 D H H 3> S+ 0 0 124 2,-0.2 4,-2.5 3,-0.2 -1,-0.3 0.826 100.4 51.9 -60.1 -35.8 4.4 4.4 4.0 85 11 D L H <> S+ 0 0 2 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.998 115.9 40.6 -63.4 -57.9 7.6 6.2 4.9 86 12 D V H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 -2,-0.2 0.943 114.0 51.6 -54.3 -62.1 9.1 5.2 1.6 87 13 D E H X S+ 0 0 35 -4,-4.0 4,-2.1 2,-0.2 5,-0.3 0.926 110.1 50.7 -38.9 -57.7 6.1 5.8 -0.4 88 14 D A H >X S+ 0 0 16 -4,-2.5 4,-2.9 1,-0.2 3,-0.9 0.966 111.2 47.0 -46.0 -65.3 5.8 9.3 1.1 89 15 D L H 3X>S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.3 5,-0.6 0.897 105.9 61.7 -42.3 -49.2 9.4 10.0 0.3 90 16 D Y H 3X5S+ 0 0 13 -4,-3.4 4,-2.1 1,-0.2 -1,-0.3 0.893 115.2 31.0 -45.3 -50.4 8.7 8.7 -3.2 91 17 D L H <<5S+ 0 0 108 -4,-2.1 -1,-0.2 -3,-0.9 -2,-0.2 0.780 116.9 55.2 -85.3 -33.2 6.1 11.4 -3.9 92 18 D V H <5S+ 0 0 32 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.930 121.0 31.8 -61.3 -43.3 7.5 14.2 -1.8 93 19 D f H ><5S+ 0 0 7 -4,-3.4 3,-1.2 -5,-0.3 -2,-0.2 0.912 83.1 159.0 -86.6 -45.7 10.8 13.9 -3.7 94 20 D G G ><