==== 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 02-JUN-12 4FG3 . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.T.R.LIMA,M.P.FAVERO-RETTO . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 66.7 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 . 12 11.8 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 . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.9 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 2 1 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 . 4 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 35 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-161.5 -17.1 -10.3 -23.5 2 2 A I H >> + 0 0 1 47,-0.4 4,-2.7 1,-0.2 5,-0.6 0.846 360.0 55.0 -57.7 -39.0 -15.5 -7.8 -21.1 3 3 A V H >>S+ 0 0 21 1,-0.2 5,-2.8 2,-0.2 4,-1.4 0.878 110.6 45.8 -62.1 -39.1 -12.4 -7.3 -23.4 4 4 A E H 4>S+ 0 0 88 -3,-0.5 5,-2.2 3,-0.2 -2,-0.2 0.895 118.0 42.1 -72.2 -40.7 -14.7 -6.4 -26.4 5 5 A Q H <5S+ 0 0 94 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.875 132.3 17.8 -72.8 -39.9 -16.9 -4.0 -24.3 6 6 A a H <5S+ 0 0 0 -4,-2.7 22,-2.5 -5,-0.2 5,-0.4 0.737 131.3 34.0-111.6 -30.0 -14.2 -2.3 -22.3 7 7 A b T < - 0 0 15 -2,-0.3 4,-1.2 13,-0.2 3,-0.4 -0.382 39.3 -98.7 -93.9 174.8 -17.9 3.4 -18.1 13 13 A L H > S+ 0 0 62 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.800 122.9 63.0 -63.8 -30.2 -17.6 2.2 -14.5 14 14 A Y H 4 S+ 0 0 142 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.886 102.0 49.2 -59.0 -41.8 -21.3 1.4 -14.6 15 15 A Q H >4 S+ 0 0 60 -3,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.803 104.3 59.7 -69.6 -30.2 -20.6 -1.2 -17.3 16 16 A L H >< S+ 0 0 0 -4,-1.2 3,-1.5 1,-0.2 -1,-0.2 0.741 90.0 71.1 -68.5 -23.8 -17.8 -2.7 -15.1 17 17 A E G >< S+ 0 0 86 -4,-0.9 3,-1.5 -3,-0.5 -1,-0.2 0.763 83.4 72.6 -62.3 -25.2 -20.4 -3.4 -12.3 18 18 A N G < S+ 0 0 114 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.717 94.8 51.4 -60.3 -24.4 -21.8 -6.1 -14.6 19 19 A Y G < S+ 0 0 32 -3,-1.5 28,-2.0 -4,-0.2 -1,-0.3 0.279 83.2 113.6-102.9 9.8 -18.7 -8.3 -13.9 20 20 A c B < B 46 0B 15 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.455 360.0 360.0 -72.4 152.5 -18.9 -8.0 -10.0 21 21 A N 0 0 102 24,-1.8 -1,-0.1 80,-0.2 24,-0.0 -0.357 360.0 360.0 -83.4 360.0 -19.7 -11.2 -8.1 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 0 169 0, 0.0 2,-0.3 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 140.8 -17.8 8.9 -15.2 24 2 B V - 0 0 97 -13,-0.1 2,-0.6 -12,-0.0 -11,-0.2 -0.733 360.0-117.1-112.6 158.4 -16.3 8.5 -18.6 25 3 B N + 0 0 88 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.844 50.4 151.3 -89.5 119.6 -16.0 5.8 -21.3 26 4 B Q B -A 11 0A 98 -15,-1.5 -15,-1.5 -2,-0.6 2,-0.6 -0.914 51.0 -86.1-141.2 169.7 -12.4 4.9 -21.9 27 5 B H - 0 0 117 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.719 40.3-177.1 -81.2 116.3 -10.2 1.9 -23.0 28 6 B L + 0 0 16 -22,-2.5 2,-0.3 -2,-0.6 -20,-0.1 -0.973 12.1 169.7-115.5 117.3 -9.4 -0.4 -20.1 29 7 B b > - 0 0 49 -2,-0.5 3,-1.6 -22,-0.1 4,-0.4 -0.951 43.6 -26.4-131.7 146.3 -7.1 -3.3 -21.1 30 8 B G T 3> S+ 0 0 14 -2,-0.3 4,-1.5 1,-0.3 3,-0.2 -0.298 127.7 0.3 63.2-126.4 -5.2 -6.0 -19.2 31 9 B S H 3> S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.749 132.3 59.3 -69.4 -25.9 -4.1 -5.1 -15.7 32 10 B H H <> S+ 0 0 133 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.854 104.3 50.7 -70.8 -35.1 -5.8 -1.7 -15.9 33 11 B L H > S+ 0 0 0 -4,-0.4 4,-1.8 -3,-0.2 -2,-0.2 0.897 110.8 47.3 -68.0 -42.8 -9.1 -3.4 -16.6 34 12 B V H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.818 110.1 54.0 -69.1 -30.7 -8.7 -5.7 -13.6 35 13 B E H X S+ 0 0 52 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.883 108.3 49.7 -64.3 -41.1 -7.7 -2.7 -11.4 36 14 B A H X S+ 0 0 16 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.859 109.5 51.8 -66.6 -36.7 -10.9 -0.9 -12.6 37 15 B L H X>S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.6 0.906 109.0 49.8 -64.6 -44.3 -12.9 -4.0 -11.6 38 16 B Y H X5S+ 0 0 61 -4,-2.0 4,-1.8 3,-0.2 -2,-0.2 0.920 111.2 49.9 -60.3 -45.8 -11.4 -4.1 -8.2 39 17 B L H <5S+ 0 0 137 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.932 118.4 37.7 -56.3 -50.0 -12.2 -0.4 -7.7 40 18 B V H <5S+ 0 0 35 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.890 132.3 24.6 -71.4 -41.7 -15.8 -0.8 -8.8 41 19 B c H ><5S+ 0 0 6 -4,-3.1 3,-2.2 -5,-0.2 -3,-0.2 0.838 78.6 148.4 -96.9 -42.3 -16.5 -4.3 -7.1 42 20 B G G >< + 0 0 12 -2,-0.6 3,-0.5 49,-0.2 -47,-0.4 -0.738 9.7 169.9-126.5 80.5 -12.9 -13.9 -18.1 50 28 B P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.544 70.6 73.9 -73.1 -6.5 -11.5 -12.5 -21.4 51 29 B K T 3 0 0 168 46,-0.3 46,-0.0 -48,-0.0 45,-0.0 -0.168 360.0 360.0 -93.1 38.2 -12.2 -15.8 -23.2 52 30 B T < 0 0 98 -3,-0.5 -49,-0.2 0, 0.0 -3,-0.0 -0.824 360.0 360.0-134.1 360.0 -15.9 -15.1 -23.3 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 72 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-142.5 -9.8 -17.5 2.3 55 2 C I H > + 0 0 15 47,-0.2 4,-2.4 2,-0.2 5,-0.2 0.921 360.0 54.5 -66.9 -45.2 -7.0 -16.8 -0.2 56 3 C V H > S+ 0 0 17 46,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.877 114.7 40.1 -58.7 -40.1 -7.7 -13.0 -0.4 57 4 C E H > S+ 0 0 46 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.841 112.5 54.8 -80.0 -36.5 -7.4 -12.6 3.3 58 5 C Q H X S+ 0 0 64 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.910 104.4 53.8 -63.4 -45.9 -4.4 -15.0 3.8 59 6 C d H < S+ 0 0 0 -4,-2.4 22,-1.8 1,-0.2 5,-0.3 0.804 119.2 35.4 -57.9 -32.4 -2.2 -13.2 1.2 60 7 C e H < S+ 0 0 43 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.870 122.7 39.8 -92.0 -44.3 -2.8 -9.9 3.1 61 8 C T H < S- 0 0 115 -4,-3.1 -3,-0.2 20,-0.1 -2,-0.2 0.917 138.2 -9.5 -74.8 -45.8 -2.8 -11.0 6.7 62 9 C S S < S- 0 0 62 -4,-2.0 2,-0.3 -5,-0.4 19,-0.1 0.102 100.9 -66.1-117.8-125.8 -0.0 -13.6 6.5 63 10 C I - 0 0 83 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.915 36.7-170.9-132.9 161.4 1.6 -14.8 3.2 64 11 C d B -E 79 0C 3 15,-2.3 15,-4.2 -2,-0.3 2,-0.2 -0.932 18.9-123.5-142.1 166.9 0.6 -16.8 0.2 65 12 C S > - 0 0 26 -2,-0.3 4,-1.2 13,-0.2 3,-0.4 -0.691 24.5-116.8-109.0 163.4 2.5 -18.4 -2.8 66 13 C L H > S+ 0 0 38 11,-0.3 4,-1.1 -2,-0.2 -1,-0.1 0.779 116.8 60.9 -68.1 -26.7 2.0 -17.9 -6.6 67 14 C Y H 4 S+ 0 0 141 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.808 101.7 51.5 -68.6 -32.8 1.1 -21.6 -6.7 68 15 C Q H >4 S+ 0 0 66 -3,-0.4 3,-0.8 1,-0.2 4,-0.2 0.841 106.3 55.0 -69.3 -34.5 -1.9 -20.9 -4.4 69 16 C L H >< S+ 0 0 1 -4,-1.2 3,-1.5 1,-0.2 -2,-0.2 0.772 93.5 70.1 -70.3 -27.2 -3.0 -18.1 -6.7 70 17 C E G >< S+ 0 0 96 -4,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.783 84.7 70.9 -57.3 -30.3 -3.1 -20.5 -9.7 71 18 C N G < S+ 0 0 126 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.727 94.7 53.9 -59.8 -23.9 -6.1 -22.1 -8.1 72 19 C Y G < S+ 0 0 66 -3,-1.5 28,-2.3 -4,-0.2 -1,-0.3 0.372 85.6 102.5 -99.6 4.0 -8.3 -19.1 -8.9 73 20 C f B < D 99 0B 15 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.374 360.0 360.0 -73.0 161.5 -7.5 -18.9 -12.6 74 21 C N 0 0 118 24,-2.1 -1,-0.1 -26,-0.2 -2,-0.1 -0.697 360.0 360.0 -70.5 360.0 -10.0 -20.2 -15.2 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 0 179 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.0 9.3 -18.0 -6.5 77 2 D V - 0 0 111 1,-0.1 -11,-0.3 -12,-0.0 2,-0.0 -0.554 360.0 -93.4 -85.2 155.8 9.3 -16.0 -3.2 78 3 D N - 0 0 107 -2,-0.2 2,-0.4 -13,-0.1 -13,-0.2 -0.349 45.5-124.5 -66.1 152.8 6.3 -16.0 -0.8 79 4 D Q B -E 64 0C 40 -15,-4.2 -15,-2.3 -3,-0.1 2,-0.5 -0.856 22.7-170.6-114.0 133.5 3.8 -13.1 -1.4 80 5 D H + 0 0 131 -2,-0.4 2,-0.4 -17,-0.2 -20,-0.2 -0.936 30.9 164.5-115.7 103.2 2.4 -10.4 0.9 81 6 D L + 0 0 21 -22,-1.8 2,-0.3 -2,-0.5 -20,-0.1 -0.977 14.7 179.5-133.5 121.1 -0.3 -8.9 -1.1 82 7 D e > - 0 0 48 -2,-0.4 3,-1.9 -22,-0.1 4,-0.3 -0.895 53.0 -28.4-120.0 151.5 -3.2 -6.6 -0.1 83 8 D G T >> S+ 0 0 25 -2,-0.3 3,-1.1 1,-0.3 4,-1.0 -0.170 129.1 1.4 53.0-129.3 -6.0 -4.9 -2.0 84 9 D S H 3> S+ 0 0 30 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.673 123.9 69.8 -67.2 -19.0 -5.3 -4.1 -5.7 85 10 D H H <> S+ 0 0 123 -3,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.836 98.0 50.5 -68.1 -32.4 -1.8 -5.7 -5.4 86 11 D L H <> S+ 0 0 2 -3,-1.1 4,-2.5 -4,-0.3 -1,-0.2 0.923 108.6 51.8 -67.4 -44.3 -3.4 -9.1 -5.1 87 12 D V H X S+ 0 0 0 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.858 108.6 51.8 -58.9 -38.6 -5.5 -8.5 -8.2 88 13 D E H X S+ 0 0 53 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.895 109.8 49.0 -62.4 -43.3 -2.3 -7.5 -10.1 89 14 D A H X S+ 0 0 11 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.873 107.9 54.3 -65.0 -39.8 -0.7 -10.7 -9.0 90 15 D L H X S+ 0 0 6 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.898 108.3 49.4 -60.2 -42.6 -3.7 -12.7 -10.1 91 16 D Y H X S+ 0 0 47 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.889 111.0 49.7 -63.5 -40.8 -3.5 -11.1 -13.6 92 17 D L H < S+ 0 0 133 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.894 117.4 40.3 -65.4 -41.2 0.2 -11.9 -13.8 93 18 D V H < S+ 0 0 34 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.917 130.1 26.1 -72.8 -46.2 -0.4 -15.6 -12.8 94 19 D f H >< S+ 0 0 6 -4,-2.9 3,-1.4 -5,-0.2 -3,-0.2 0.845 83.3 172.7 -91.8 -39.0 -3.5 -16.2 -14.8 95 20 D G G >< - 0 0 19 -4,-1.9 3,-0.7 -5,-0.5 -1,-0.2 -0.403 69.2 -11.7 69.4-135.9 -3.2 -13.7 -17.7 96 21 D E G 3 S+ 0 0 86 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.358 122.3 78.4 -85.5 3.4 -5.8 -13.9 -20.5 97 22 D R G < S- 0 0 115 -3,-1.4 -46,-0.3 1,-0.1 -1,-0.2 0.861 100.1-139.3 -64.8 -41.2 -7.0 -17.3 -19.2 98 23 D G < - 0 0 0 -3,-0.7 -24,-2.1 -49,-0.1 2,-0.3 -0.266 19.1-136.5 102.8 170.9 -8.8 -15.1 -16.6 99 24 D F E -CD 48 73B 0 -51,-2.0 -51,-3.1 -26,-0.3 2,-0.5 -0.984 10.5-119.3-158.8 164.0 -9.5 -15.4 -12.9 100 25 D F E -C 47 0B 80 -28,-2.3 2,-0.7 -2,-0.3 -53,-0.2 -0.959 15.8-153.4-111.5 126.4 -12.0 -15.0 -10.1 101 26 D Y E +C 46 0B 11 -55,-3.0 -55,-1.7 -2,-0.5 -80,-0.2 -0.902 23.8 174.9 -96.9 108.1 -11.4 -12.6 -7.3 102 27 D T + 0 0 57 -2,-0.7 -46,-0.4 -57,-0.2 -47,-0.2 -0.697 6.2 159.6-126.6 77.4 -13.4 -14.0 -4.4 103 28 D P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.181 37.3-106.5 -79.2-176.7 -13.0 -12.3 -1.0 104 29 D K 0 0 149 -2,-0.0 -59,-0.1 -50,-0.0 0, 0.0 -0.585 360.0 360.0-108.6 174.8 -15.5 -12.6 1.9 105 30 D T 0 0 155 -2,-0.2 0, 0.0 -61,-0.1 0, 0.0 0.547 360.0 360.0 -5.0 360.0 -18.1 -10.2 3.4