==== 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 29-APR-12 4EX0 . 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 . 100 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 71.0 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 13.0 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 . 14 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 5.0 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 1 1 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 55 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-171.6 -0.7 -19.5 11.9 2 2 A I H >> + 0 0 2 47,-0.3 4,-3.4 1,-0.2 5,-0.6 0.851 360.0 55.7 -52.0 -40.5 0.8 -17.0 9.6 3 3 A V H >>S+ 0 0 30 2,-0.2 5,-2.9 1,-0.2 4,-1.9 0.935 111.6 42.3 -64.3 -45.4 -0.5 -14.1 11.8 4 4 A E H 4>S+ 0 0 90 3,-0.2 5,-2.8 4,-0.2 -2,-0.2 0.929 120.4 43.5 -64.7 -41.1 1.2 -15.5 14.9 5 5 A Q H <5S+ 0 0 90 -4,-2.7 -2,-0.2 3,-0.2 -3,-0.2 0.905 130.4 20.9 -69.1 -42.3 4.4 -16.3 12.9 6 6 A a H <5S+ 0 0 0 -4,-3.4 22,-3.0 -5,-0.2 5,-0.4 0.773 133.1 28.2-108.5 -29.6 4.7 -13.2 10.9 7 7 A b T < -A 25 0A 14 -2,-0.3 4,-1.9 13,-0.2 13,-0.2 -0.347 33.0-108.5 -85.0 167.2 11.6 -14.2 7.3 13 13 A L H > S+ 0 0 54 11,-0.6 4,-1.1 1,-0.2 -1,-0.1 0.861 123.2 57.0 -66.5 -32.6 10.6 -14.0 3.6 14 14 A Y H 4 S+ 0 0 147 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.884 105.1 49.9 -61.4 -41.8 11.6 -17.7 3.4 15 15 A Q H >4 S+ 0 0 62 1,-0.2 3,-2.1 2,-0.2 4,-0.2 0.882 104.2 59.3 -65.3 -39.2 9.0 -18.5 6.2 16 16 A L H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.836 92.7 67.0 -53.6 -32.6 6.4 -16.5 4.3 17 17 A E G >< S+ 0 0 75 -4,-1.1 3,-1.5 -3,-0.3 -1,-0.3 0.689 80.5 79.1 -63.2 -14.7 7.0 -18.9 1.4 18 18 A N G < S+ 0 0 111 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.719 93.6 50.6 -61.1 -22.8 5.5 -21.6 3.7 19 19 A Y G < S+ 0 0 32 -3,-2.0 28,-2.1 -4,-0.2 -1,-0.3 0.288 85.2 107.9-104.9 4.7 2.1 -20.1 2.7 20 20 A c B < B 46 0B 15 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.490 360.0 360.0 -67.3 156.2 2.6 -20.2 -1.0 21 21 A N 0 0 95 24,-2.0 24,-0.1 79,-0.2 -1,-0.1 -0.214 360.0 360.0 -88.1 360.0 0.7 -22.7 -3.0 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 0 183 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 169.9 16.9 -10.8 3.7 24 2 B V - 0 0 96 -13,-0.1 -11,-0.6 2,-0.0 2,-0.4 -0.614 360.0-113.5-124.7-179.5 15.5 -9.9 7.1 25 3 B N E +A 12 0A 83 -2,-0.2 2,-0.3 -13,-0.2 -13,-0.2 -0.997 42.7 154.1-119.4 133.0 12.8 -10.7 9.6 26 4 B Q E -A 11 0A 102 -15,-1.4 -15,-1.5 -2,-0.4 2,-0.6 -0.902 50.1 -84.3-147.0 166.5 10.1 -8.1 10.5 27 5 B H - 0 0 117 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.722 43.1-175.2 -75.6 122.1 6.5 -7.8 11.8 28 6 B L + 0 0 11 -22,-3.0 2,-0.3 -2,-0.6 -20,-0.1 -0.972 11.4 172.0-123.6 114.7 4.2 -8.1 8.8 29 7 B b >> - 0 0 48 -2,-0.5 3,-1.7 -22,-0.1 4,-0.6 -0.891 41.4 -26.6-125.9 150.8 0.6 -7.6 9.7 30 8 B G H >> S+ 0 0 18 -2,-0.3 4,-1.8 1,-0.3 3,-1.1 -0.074 128.8 0.8 54.6-135.9 -2.7 -7.2 7.9 31 9 B S H 3> S+ 0 0 32 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.811 132.6 59.6 -58.9 -29.5 -2.5 -5.9 4.4 32 10 B H H <> S+ 0 0 125 -3,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.846 103.2 53.0 -62.2 -34.8 1.3 -5.7 4.7 33 11 B L H S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 5,-0.6 0.941 109.7 49.0 -55.7 -50.8 2.9 -13.0 0.5 38 16 B Y H X5S+ 0 0 60 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.922 113.2 48.8 -54.2 -45.8 2.1 -11.7 -2.9 39 17 B L H <5S+ 0 0 129 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.928 118.6 36.6 -59.6 -47.8 5.7 -10.6 -3.3 40 18 B V H <5S+ 0 0 25 -4,-2.9 -2,-0.2 1,-0.1 -1,-0.2 0.881 129.2 31.1 -76.0 -40.6 7.2 -13.9 -2.2 41 19 B c H ><5S+ 0 0 3 -4,-3.5 3,-1.9 -5,-0.3 4,-0.2 0.844 77.8 152.3 -88.8 -39.8 4.6 -16.3 -3.8 42 20 B G G >< 0 0 62 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-166.7 -9.6 -16.7 -13.4 54 2 C I H > + 0 0 7 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.880 360.0 53.7 -65.8 -42.2 -10.3 -13.9 -11.0 55 3 C V H > S+ 0 0 14 46,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.928 116.0 38.4 -55.5 -51.7 -6.7 -12.6 -10.9 56 4 C E H >>S+ 0 0 48 1,-0.2 4,-3.1 2,-0.2 5,-0.6 0.936 116.0 52.9 -69.3 -45.5 -6.6 -12.2 -14.7 57 5 C Q H X5S+ 0 0 65 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.902 107.7 49.7 -56.9 -46.9 -10.2 -11.0 -15.0 58 6 C d H <5S+ 0 0 0 -4,-2.9 22,-2.2 -5,-0.2 5,-0.2 0.824 119.4 39.8 -59.8 -32.8 -9.8 -8.2 -12.4 59 7 C e H <5S+ 0 0 42 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.919 123.8 33.1 -86.1 -44.3 -6.7 -7.0 -14.2 60 8 C T H <5S+ 0 0 117 -4,-3.1 2,-0.2 -5,-0.1 -3,-0.2 0.756 138.9 2.6 -87.5 -25.4 -7.6 -7.4 -17.9 61 9 C S S < - 0 0 23 -2,-0.3 4,-2.4 13,-0.2 3,-0.2 -0.667 24.3-118.6-103.0 160.0 -16.8 -6.9 -8.5 65 13 C L H > S+ 0 0 35 11,-0.3 4,-2.0 -2,-0.2 -1,-0.1 0.800 117.4 59.9 -59.9 -30.8 -16.2 -7.2 -4.8 66 14 C Y H > S+ 0 0 137 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.874 105.1 46.1 -71.3 -33.5 -18.9 -9.8 -4.9 67 15 C Q H >4 S+ 0 0 71 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.908 110.9 53.5 -71.0 -39.7 -16.8 -11.9 -7.3 68 16 C L H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.2 4,-0.2 0.885 97.8 66.5 -59.6 -35.3 -13.8 -11.3 -5.1 69 17 C E H >< S+ 0 0 78 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.808 86.1 69.5 -57.4 -31.0 -15.8 -12.6 -2.1 70 18 C N T << S+ 0 0 118 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.686 93.9 58.6 -57.0 -21.4 -15.9 -16.1 -3.7 71 19 C Y T < S+ 0 0 61 -3,-2.4 28,-1.9 -4,-0.3 -1,-0.3 0.441 81.2 106.2 -96.3 -2.6 -12.1 -16.3 -3.0 72 20 C f B < D 98 0B 14 -3,-1.9 26,-0.3 -4,-0.2 25,-0.1 -0.385 360.0 360.0 -68.5 156.5 -12.5 -15.8 0.7 73 21 C N 0 0 88 24,-2.6 -1,-0.1 23,-0.3 -2,-0.1 -0.504 360.0 360.0 -83.0 360.0 -11.9 -18.9 2.9 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 0 184 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.9 -20.0 -1.2 -4.5 76 2 D V - 0 0 107 1,-0.1 -11,-0.3 -12,-0.0 -13,-0.1 -0.704 360.0 -91.3 -99.2 153.2 -18.4 -0.3 -7.9 77 3 D N - 0 0 101 -2,-0.3 2,-0.4 -13,-0.1 -13,-0.2 -0.265 44.9-134.6 -60.2 155.6 -16.6 -2.6 -10.2 78 4 D Q B -E 63 0C 41 -15,-3.4 -15,-2.3 2,-0.1 2,-0.6 -0.900 18.0-160.0-127.4 140.6 -12.9 -2.9 -9.8 79 5 D H + 0 0 125 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.966 32.9 169.8-120.9 108.6 -9.9 -2.9 -12.1 80 6 D L + 0 0 21 -22,-2.2 2,-0.3 -2,-0.6 -19,-0.1 -0.968 12.3 175.7-138.9 116.8 -7.2 -4.5 -10.1 81 7 D e > - 0 0 43 -2,-0.5 3,-1.8 -22,-0.1 4,-0.2 -0.856 52.2 -22.2-117.0 155.9 -3.8 -5.7 -11.0 82 8 D G T >> S- 0 0 27 -2,-0.3 3,-1.7 1,-0.3 4,-0.8 -0.113 129.5 -2.5 54.7-135.2 -0.9 -7.1 -9.2 83 9 D S H 3> S+ 0 0 30 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.717 123.8 73.8 -61.7 -22.7 -0.8 -6.4 -5.5 84 10 D H H <> S+ 0 0 122 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.831 95.0 52.1 -60.4 -27.8 -3.9 -4.3 -5.8 85 11 D L H <> S+ 0 0 2 -3,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.863 107.9 49.8 -73.3 -39.3 -5.9 -7.4 -6.2 86 12 D V H X S+ 0 0 0 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.876 110.2 51.5 -69.8 -35.6 -4.4 -8.9 -3.1 87 13 D E H X S+ 0 0 43 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.906 110.8 48.1 -61.1 -45.4 -5.2 -5.7 -1.2 88 14 D A H X S+ 0 0 11 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.913 111.7 49.3 -67.7 -42.3 -8.8 -5.9 -2.4 89 15 D L H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.907 109.3 52.5 -61.8 -42.0 -9.1 -9.5 -1.4 90 16 D Y H X S+ 0 0 53 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.937 113.0 44.8 -56.3 -47.1 -7.7 -8.7 2.0 91 17 D L H < S+ 0 0 129 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.936 116.5 45.2 -64.1 -47.1 -10.3 -6.0 2.4 92 18 D V H < S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 119.9 37.3 -67.0 -37.1 -13.1 -8.0 1.2 93 19 D f H >< S+ 0 0 4 -4,-2.9 3,-1.9 -5,-0.2 -1,-0.2 0.776 79.3 174.9 -92.3 -27.9 -12.3 -11.2 3.1 94 20 D G G >< S- 0 0 30 -4,-2.1 3,-2.7 -5,-0.3 -1,-0.2 -0.225 70.6 -6.3 57.2-141.8 -11.1 -9.9 6.4 95 21 D E G 3 S+ 0 0 150 1,-0.3 -44,-0.5 -45,-0.1 -1,-0.3 0.576 126.9 72.6 -64.9 -10.1 -10.4 -12.5 9.1 96 22 D R G < S- 0 0 84 -3,-1.9 -1,-0.3 -46,-0.1 -23,-0.3 0.791 91.2-159.7 -68.7 -27.8 -11.8 -15.1 6.8 97 23 D G < - 0 0 0 -3,-2.7 -24,-2.6 -7,-0.2 2,-0.3 -0.065 2.7-133.8 65.0-172.9 -8.7 -14.7 4.7 98 24 D F E -CD 48 72B 0 -50,-1.5 -50,-3.0 -26,-0.3 2,-0.4 -0.935 6.7-109.8-163.9 167.1 -8.5 -15.8 1.1 99 25 D F E -C 47 0B 69 -28,-1.9 2,-0.6 -2,-0.3 -52,-0.2 -0.962 18.7-150.5-116.4 145.8 -6.6 -17.6 -1.5 100 26 D Y E +C 46 0B 10 -54,-3.2 -54,-1.9 -2,-0.4 -79,-0.2 -0.945 22.4 169.3-113.6 117.4 -4.8 -16.0 -4.3 101 27 D T - 0 0 68 -2,-0.6 -46,-0.4 -56,-0.2 -47,-0.2 -0.717 7.7-176.6-133.9 85.7 -4.6 -18.2 -7.3 102 28 D P 0 0 20 0, 0.0 -48,-0.0 0, 0.0 -2,-0.0 -0.388 360.0 360.0 -74.8 157.5 -3.4 -16.5 -10.5 103 29 D K 0 0 198 -50,-0.1 -58,-0.1 -2,-0.1 0, 0.0 -0.418 360.0 360.0 -57.0 360.0 -3.3 -18.4 -13.7