==== 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 4GBL . 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) . 6507.0 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 . 10 9.9 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 . 3 3.0 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 . 36 35.6 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 1 0 0 0 0 0 1 0 0 1 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 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 51 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-155.2 -10.4 -15.7 1.4 2 2 A I H >> + 0 0 6 2,-0.2 4,-3.5 1,-0.2 5,-0.5 0.926 360.0 56.3 -66.8 -46.8 -7.6 -14.3 -0.7 3 3 A V H >>S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 5,-0.5 0.928 109.9 44.6 -54.6 -49.2 -7.5 -10.9 1.1 4 4 A E H >5S+ 0 0 124 1,-0.2 4,-0.6 2,-0.2 5,-0.3 0.876 122.4 39.1 -59.4 -38.2 -7.0 -12.5 4.6 5 5 A Q H <5S+ 0 0 77 -4,-1.3 4,-0.3 3,-0.1 -2,-0.2 0.712 126.0 31.6 -88.5 -29.6 -4.3 -14.9 3.1 6 6 A a H <5S+ 0 0 11 -4,-3.5 5,-0.4 2,-0.1 -3,-0.2 0.613 118.6 49.4-106.1 -17.9 -2.4 -12.6 0.6 7 7 A b H < - 0 0 54 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.505 34.5 -97.7 -92.7 169.7 3.6 -16.4 -4.1 13 13 A L H > S+ 0 0 108 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.846 125.4 58.3 -53.6 -31.5 2.3 -16.6 -7.7 14 14 A Y H 4 S+ 0 0 191 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.899 107.3 42.9 -71.7 -48.6 1.6 -20.3 -6.9 15 15 A Q H >4 S+ 0 0 98 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.819 111.0 56.1 -60.3 -37.3 -0.7 -19.6 -4.0 16 16 A L H >< S+ 0 0 12 -4,-1.9 3,-1.7 1,-0.3 -2,-0.2 0.810 95.5 67.3 -69.8 -25.8 -2.4 -16.9 -6.0 17 17 A E T 3< S+ 0 0 84 -4,-1.3 3,-0.4 1,-0.3 -1,-0.3 0.378 84.7 73.4 -79.3 3.3 -3.1 -19.4 -8.7 18 18 A N T < S+ 0 0 123 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.642 91.5 55.1 -80.3 -23.0 -5.4 -21.1 -6.3 19 19 A Y S < S+ 0 0 72 -3,-1.7 28,-0.7 -4,-0.2 2,-0.3 0.185 89.5 123.5 -97.6 19.0 -8.0 -18.3 -6.7 20 20 A c B A 46 0A 27 -3,-0.4 26,-0.2 26,-0.1 -3,-0.0 -0.610 360.0 360.0 -90.0 137.1 -8.1 -18.8 -10.5 21 21 A N 0 0 113 24,-1.7 79,-0.1 -2,-0.3 -1,-0.1 -0.805 360.0 360.0 116.1 360.0 -10.9 -19.5 -12.9 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 0 242 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 19.8 -10.9 0.7 5.3 24 2 B V G >>> + 0 0 95 1,-0.2 4,-3.0 2,-0.2 3,-2.2 0.816 360.0 62.5 -60.3 -55.6 -8.0 1.5 2.9 25 3 B N G 345S+ 0 0 134 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 0.512 109.9 44.8 -59.4 -10.6 -5.1 -1.0 3.5 26 4 B Q G <>5S+ 0 0 132 -3,-1.0 4,-0.7 3,-0.1 -1,-0.3 0.493 117.6 44.8 -99.8 -15.0 -7.3 -3.9 2.3 27 5 B H H <>5S+ 0 0 90 -3,-2.2 4,-1.2 -4,-0.5 -2,-0.2 0.887 115.7 44.4 -87.0 -57.0 -8.7 -1.9 -0.7 28 6 B L H X5S+ 0 0 106 -4,-3.0 4,-0.7 1,-0.2 3,-0.2 0.849 114.5 53.9 -49.5 -38.9 -5.2 -0.6 -1.7 29 7 B b H >>X S+ 0 0 14 -4,-1.7 4,-2.4 2,-0.2 3,-0.5 0.926 111.5 48.7 -64.2 -51.7 -4.0 -8.7 -5.8 34 12 B V H 3X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.3 3,-0.2 0.968 111.8 51.8 -58.6 -47.6 -6.4 -8.2 -8.6 35 13 B E H 3X S+ 0 0 64 -4,-1.3 4,-0.6 1,-0.2 -1,-0.3 0.793 110.6 47.1 -53.6 -37.4 -3.6 -7.0 -10.8 36 14 B A H S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.7 0.941 101.1 59.9 -50.5 -53.1 -4.3 -12.6 -10.6 38 16 B Y H X5S+ 0 0 48 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.834 110.0 40.6 -44.7 -40.3 -4.6 -11.1 -14.1 39 17 B L H <5S+ 0 0 131 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.917 118.2 45.7 -75.7 -46.6 -0.9 -12.1 -14.9 40 18 B V H <5S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.826 124.7 28.6 -69.8 -37.4 -1.1 -15.5 -13.3 41 19 B c H ><5S+ 0 0 8 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.755 80.1 168.2 -93.6 -30.7 -4.4 -16.7 -14.6 42 20 B G G >< 0 0 46 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 161.8 -17.3 -10.2 -23.8 54 2 C I H > + 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.826 360.0 44.4 -35.9 -48.8 -15.8 -7.5 -21.5 55 3 C V H >>S+ 0 0 13 47,-0.6 4,-1.8 2,-0.2 5,-1.3 0.913 112.0 48.2 -77.6 -46.2 -12.6 -7.6 -23.5 56 4 C E H 45S+ 0 0 63 1,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.767 121.3 39.5 -66.0 -28.0 -14.0 -7.6 -27.0 57 5 C Q H <5S+ 0 0 67 -4,-2.1 -2,-0.2 3,-0.1 -1,-0.2 0.876 126.8 29.9 -88.2 -43.3 -16.3 -4.7 -26.1 58 6 C d H <5S+ 0 0 0 -4,-2.9 22,-3.2 -5,-0.3 5,-0.3 0.282 127.7 34.3-107.7 1.2 -14.0 -2.5 -23.8 59 7 C e T <5S+ 0 0 25 -4,-1.8 -3,-0.2 20,-0.2 -4,-0.1 0.643 125.9 34.9-116.5 -52.4 -10.5 -3.2 -25.3 60 8 C T S - 0 0 47 -2,-0.4 4,-0.7 1,-0.1 5,-0.1 -0.325 34.9-109.3 -74.4 163.1 -19.0 3.4 -20.9 65 13 C L H >> S+ 0 0 73 2,-0.2 3,-1.2 1,-0.2 4,-1.1 0.940 123.9 51.6 -46.8 -48.6 -19.0 3.2 -17.2 66 14 C Y H 3> S+ 0 0 174 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.850 106.4 51.4 -63.7 -40.1 -22.5 1.5 -17.7 67 15 C Q H 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.624 109.3 53.7 -71.4 -18.8 -21.2 -1.0 -20.1 68 16 C L H X< S+ 0 0 0 -3,-1.2 3,-1.0 -4,-0.7 -1,-0.2 0.675 98.6 60.1 -89.1 -25.6 -18.5 -1.8 -17.6 69 17 C E H >< S+ 0 0 61 -4,-1.1 3,-1.8 -3,-0.4 -2,-0.2 0.618 84.6 78.3 -83.7 -10.5 -20.8 -2.5 -14.6 70 18 C N T 3< S+ 0 0 104 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.780 91.7 56.3 -61.2 -25.1 -22.5 -5.3 -16.5 71 19 C Y T < S+ 0 0 28 -3,-1.0 28,-1.0 -4,-0.1 -1,-0.3 0.078 86.7 100.0 -97.0 12.9 -19.4 -7.2 -15.5 72 20 C f B < C 98 0A 10 -3,-1.8 26,-0.3 26,-0.2 18,-0.0 -0.399 360.0 360.0 -86.6 178.0 -19.9 -6.6 -11.8 73 21 C N 0 0 108 24,-0.7 -1,-0.1 -2,-0.1 24,-0.1 -0.318 360.0 360.0 -88.1 360.0 -21.4 -9.4 -9.6 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 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 -15.3 8.5 -16.6 76 2 D V - 0 0 61 1,-0.1 2,-0.7 -12,-0.1 -13,-0.1 -0.133 360.0-141.5 -62.6 150.9 -12.7 8.1 -19.4 77 3 D N + 0 0 136 -15,-0.1 2,-0.3 -13,-0.1 -1,-0.1 -0.907 59.0 121.8-110.2 92.0 -13.4 7.3 -23.1 78 4 D Q S S- 0 0 105 -2,-0.7 -15,-0.8 -15,-0.3 2,-0.2 -0.990 72.2 -99.2-149.3 148.1 -10.5 5.0 -23.7 79 5 D H B -D 62 0B 113 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.569 40.6-156.0 -56.5 133.7 -9.7 1.5 -24.8 80 6 D L + 0 0 14 -22,-3.2 2,-0.3 -19,-0.5 -19,-0.2 -0.996 19.9 176.0-115.0 129.3 -9.1 -0.3 -21.6 81 7 D e >> - 0 0 53 -2,-0.5 3,-1.2 -22,-0.1 4,-0.5 -0.941 38.5 -27.1-135.3 156.5 -7.0 -3.4 -22.0 82 8 D G H >> S- 0 0 16 -2,-0.3 4,-1.3 1,-0.3 3,-1.2 -0.074 127.3 -0.1 53.9-130.0 -5.3 -6.1 -20.0 83 9 D S H 3> S+ 0 0 42 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.870 129.0 64.6 -61.6 -38.3 -4.5 -5.2 -16.5 84 10 D H H <> S+ 0 0 141 -3,-1.2 4,-0.9 1,-0.2 -1,-0.3 0.734 102.5 50.8 -57.7 -20.7 -5.9 -1.7 -17.0 85 11 D L H < S+ 0 0 7 -4,-2.4 3,-1.3 1,-0.2 2,-0.4 0.796 78.9 172.6-100.9 -35.3 -17.7 -2.5 -8.9 94 20 D G T 3< S+ 0 0 32 -4,-1.3 -1,-0.2 -5,-0.5 3,-0.2 -0.473 72.5 2.5 67.3-116.8 -16.3 -1.8 -5.5 95 21 D E T 3 S+ 0 0 192 -2,-0.4 -45,-0.4 1,-0.2 -1,-0.3 0.829 124.0 66.1 -82.5 -33.2 -17.9 -4.1 -3.0 96 22 D R S < S- 0 0 125 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.930 92.5-159.6 -41.6 -47.3 -20.1 -6.1 -5.4 97 23 D G - 0 0 3 -3,-0.2 -24,-0.7 -7,-0.2 2,-0.3 -0.675 6.5-129.5 89.5-150.5 -16.7 -7.4 -6.8 98 24 D F E -BC 48 72A 1 -50,-2.0 -50,-1.8 -2,-0.3 2,-0.3 -0.933 2.6-113.3-176.8-169.3 -16.6 -8.9 -10.4 99 25 D F E -B 47 0A 54 -28,-1.0 2,-0.5 -2,-0.3 -52,-0.2 -0.923 17.3-164.5-158.9 116.1 -15.6 -11.6 -12.8 100 26 D Y E +B 46 0A 4 -54,-1.6 -54,-2.6 -2,-0.3 -79,-0.2 -0.951 12.3 174.6-113.7 128.8 -13.0 -11.5 -15.6 101 27 D T - 0 0 54 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.354 30.2-149.1-102.9 -9.1 -13.0 -14.2 -18.3 102 28 D D + 0 0 4 -56,-0.1 -47,-0.6 -20,-0.1 -1,-0.3 -0.487 69.2 11.2 61.4-130.6 -10.3 -12.5 -20.4 103 29 D K 0 0 107 -2,-0.2 -49,-0.0 -48,-0.1 -3,-0.0 -0.638 360.0 360.0 -85.9 135.8 -11.0 -13.4 -24.1 104 30 D T 0 0 132 -2,-0.3 -2,-0.0 -51,-0.0 -48,-0.0 -0.817 360.0 360.0-111.3 360.0 -14.3 -15.0 -24.8