==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 14-DEC-07 2VK0 . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.WAGNER,J.DIEZ,C.SCHULZE-BRIESE,G.SCHLUCKEBIER . 97 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 64.9 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 10.3 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 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.1 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 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 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 48 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 125.5 -17.5 10.3 11.1 2 2 A I H >> + 0 0 3 45,-0.4 4,-2.9 1,-0.2 5,-0.5 0.830 360.0 58.3 -62.5 -34.4 -15.8 7.5 9.1 3 3 A V H >>S+ 0 0 29 44,-0.3 5,-3.2 1,-0.2 4,-2.2 0.928 108.3 43.4 -63.5 -47.4 -12.9 7.4 11.5 4 4 A E H 45S+ 0 0 122 3,-0.2 -1,-0.2 4,-0.2 -2,-0.2 0.778 118.9 46.5 -71.0 -27.1 -15.0 6.5 14.5 5 5 A Q H <5S+ 0 0 56 -4,-1.5 -2,-0.2 3,-0.1 -1,-0.2 0.904 133.1 10.2 -74.3 -45.3 -17.1 4.0 12.4 6 6 A a H <5S+ 0 0 0 -4,-2.9 20,-2.7 -5,-0.1 5,-0.3 0.615 132.7 36.2-121.9 -18.9 -14.2 2.2 10.7 7 7 A b T < - 0 0 39 -2,-0.3 4,-1.4 11,-0.2 3,-0.3 -0.440 31.9-106.3 -97.5 170.7 -18.6 -3.1 6.9 13 13 A L H > S+ 0 0 90 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.783 122.8 53.1 -67.5 -28.8 -18.2 -2.5 3.2 14 14 A Y H 4 S+ 0 0 182 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.735 105.9 54.1 -75.1 -25.1 -21.8 -1.2 3.1 15 15 A Q H >4 S+ 0 0 58 -3,-0.3 3,-0.6 1,-0.2 -2,-0.2 0.805 105.2 53.7 -74.5 -32.8 -20.9 1.2 5.9 16 16 A L H >< S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.761 96.6 67.4 -69.5 -28.1 -18.0 2.5 3.7 17 17 A E G >< S+ 0 0 77 -4,-0.8 3,-2.0 1,-0.2 -1,-0.2 0.767 82.6 75.2 -61.9 -28.3 -20.6 3.1 0.9 18 18 A N G < S+ 0 0 106 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.732 94.5 52.1 -54.7 -24.4 -22.1 5.9 3.1 19 19 A Y G < S+ 0 0 28 -3,-1.4 26,-2.0 -4,-0.2 -1,-0.3 0.271 84.2 106.9-103.3 9.8 -19.0 8.1 2.2 20 20 A c B < B 44 0B 10 -3,-2.0 24,-0.3 24,-0.2 23,-0.1 -0.588 360.0 360.0 -79.0 150.7 -19.3 7.7 -1.6 21 21 A N 0 0 100 22,-1.9 -1,-0.1 76,-0.2 -2,-0.1 -0.542 360.0 360.0 -80.3 360.0 -20.5 10.7 -3.6 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 3 B N 0 0 131 0, 0.0 2,-0.3 0, 0.0 -11,-0.2 0.000 360.0 360.0 360.0 -36.5 -16.0 -6.6 8.9 24 4 B Q B -A 11 0A 109 -13,-1.7 -13,-1.6 2,-0.1 2,-0.6 -0.913 360.0-141.6-159.4 132.3 -12.8 -4.5 8.9 25 5 B H + 0 0 128 -2,-0.3 2,-0.4 -15,-0.2 -18,-0.2 -0.818 39.1 171.1 -80.4 112.6 -10.5 -2.2 11.1 26 6 B L + 0 0 12 -20,-2.7 2,-0.3 -2,-0.6 -17,-0.1 -0.990 7.9 170.8-136.8 121.4 -9.1 0.4 8.6 27 7 B b >> - 0 0 43 -2,-0.4 3,-1.5 -20,-0.1 4,-0.5 -0.942 49.1 -19.9-131.9 154.9 -7.2 3.6 9.3 28 8 B G H 3> S+ 0 0 12 -2,-0.3 4,-1.5 1,-0.3 5,-0.1 -0.294 126.7 0.8 63.0-123.3 -5.3 6.3 7.3 29 9 B S H 3> S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.725 131.9 57.3 -74.6 -24.7 -4.2 5.3 3.8 30 10 B H H <> S+ 0 0 120 -3,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.886 105.3 50.4 -72.3 -40.8 -5.8 1.8 4.0 31 11 B L H X S+ 0 0 0 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.914 111.3 49.4 -58.3 -46.2 -9.2 3.3 4.8 32 12 B V H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.880 109.8 49.7 -63.2 -43.1 -8.9 5.6 1.8 33 13 B E H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.858 110.3 52.4 -63.4 -36.7 -7.9 2.7 -0.6 34 14 B A H X S+ 0 0 16 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.905 108.7 49.4 -63.6 -43.4 -10.9 0.8 0.8 35 15 B L H X>S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.5 0.895 109.3 52.5 -62.7 -42.1 -13.1 3.8 -0.1 36 16 B Y H X5S+ 0 0 57 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.913 111.2 47.3 -58.4 -45.7 -11.7 3.9 -3.6 37 17 B L H <5S+ 0 0 133 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.907 117.8 40.2 -63.0 -45.4 -12.4 0.2 -4.1 38 18 B V H <5S+ 0 0 39 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.865 127.6 31.2 -75.8 -38.1 -16.0 0.4 -2.8 39 19 B c H ><5S+ 0 0 2 -4,-2.7 3,-1.8 -5,-0.2 2,-0.3 0.910 79.9 153.6 -86.7 -50.5 -17.0 3.7 -4.4 40 20 B G G >< 0 0 74 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 150.9 -9.7 16.8 -14.5 53 2 C I H > + 0 0 15 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.874 360.0 52.4 -62.0 -42.4 -7.0 16.1 -11.9 54 3 C V H > S+ 0 0 17 44,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.894 118.1 38.2 -63.0 -39.8 -7.7 12.3 -11.6 55 4 C E H > S+ 0 0 39 2,-0.2 4,-3.2 1,-0.1 5,-0.3 0.860 115.8 54.2 -76.6 -39.0 -7.4 12.0 -15.4 56 5 C Q H X S+ 0 0 74 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.905 107.4 49.3 -60.9 -46.2 -4.6 14.5 -15.6 57 6 C d H < S+ 0 0 0 -4,-3.2 20,-0.7 1,-0.2 19,-0.4 0.822 120.5 36.9 -63.6 -32.8 -2.5 12.6 -13.0 58 7 C e H < S+ 0 0 50 -4,-0.9 18,-0.3 -5,-0.2 -2,-0.2 0.823 123.2 40.3 -89.7 -36.6 -3.0 9.3 -14.8 59 8 C T H < S- 0 0 118 -4,-3.2 -3,-0.2 18,-0.1 2,-0.2 0.837 131.1 -8.5 -81.1 -36.6 -2.9 10.6 -18.4 60 9 C S S < S- 0 0 55 -4,-2.5 16,-0.2 -5,-0.3 2,-0.1 -0.602 99.8 -35.5-142.2-159.8 -0.0 13.1 -17.9 61 10 C I - 0 0 134 -2,-0.2 2,-0.4 15,-0.1 -1,-0.1 -0.400 47.2-174.0 -75.3 145.3 2.2 14.7 -15.2 62 11 C d - 0 0 35 -5,-0.2 2,-0.3 -2,-0.1 15,-0.1 -0.997 9.7-154.8-137.8 134.2 0.9 15.7 -11.7 63 12 C S > - 0 0 45 -2,-0.4 4,-1.5 1,-0.1 3,-0.3 -0.775 27.4-124.2-101.2 152.6 2.6 17.6 -8.9 64 13 C L H > S+ 0 0 89 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.784 114.1 62.4 -63.1 -27.7 1.7 17.2 -5.2 65 14 C Y H 4 S+ 0 0 192 2,-0.2 3,-0.4 1,-0.2 4,-0.3 0.891 102.9 47.5 -62.1 -43.1 1.2 20.9 -5.3 66 15 C Q H >4 S+ 0 0 87 -3,-0.3 3,-1.0 1,-0.2 -2,-0.2 0.837 109.3 54.6 -65.9 -34.7 -1.6 20.5 -7.9 67 16 C L H >< S+ 0 0 1 -4,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.698 91.0 74.6 -71.6 -20.1 -3.1 17.7 -5.7 68 17 C E G >< S+ 0 0 87 -4,-0.9 3,-1.3 -3,-0.4 -1,-0.2 0.703 80.4 72.7 -66.9 -20.2 -3.2 20.1 -2.7 69 18 C N G < S+ 0 0 134 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.740 91.5 57.9 -62.8 -23.9 -6.2 21.8 -4.4 70 19 C Y G < S+ 0 0 83 -3,-1.5 26,-1.8 -4,-0.2 -1,-0.2 0.333 80.8 107.7 -96.8 7.6 -8.4 18.8 -3.5 71 20 C f B < D 95 0B 19 -3,-1.3 24,-0.3 24,-0.2 23,-0.1 -0.549 360.0 360.0 -77.4 149.3 -7.8 18.9 0.3 72 21 C N 0 0 95 22,-2.1 -1,-0.1 -26,-0.2 22,-0.0 -0.350 360.0 360.0 -82.4 360.0 -10.7 20.1 2.5 73 !* 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 74 3 D N 0 0 222 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.9 3.9 3.3 -18.3 75 4 D Q - 0 0 85 1,-0.2 -17,-0.1 -14,-0.0 -16,-0.1 -0.292 360.0 -96.8-136.8-131.5 3.1 6.3 -16.1 76 5 D H S S+ 0 0 143 -19,-0.4 2,-1.4 -18,-0.3 -1,-0.2 0.496 79.6 22.6-127.2-107.4 2.5 7.7 -12.6 77 6 D L + 0 0 38 -20,-0.7 2,-0.4 4,-0.1 -1,-0.1 -0.589 69.7 154.2 -86.6 90.0 -0.5 8.4 -10.2 78 7 D e > - 0 0 42 -2,-1.4 3,-1.7 -20,-0.1 2,-0.2 -0.947 57.3 -43.9-119.0 135.3 -3.3 6.2 -11.4 79 8 D G T >> S+ 0 0 17 -2,-0.4 4,-1.3 1,-0.3 3,-0.7 -0.284 131.9 20.4 57.8-113.8 -6.3 4.8 -9.5 80 9 D S H 3> S+ 0 0 35 1,-0.2 4,-1.2 -2,-0.2 -1,-0.3 0.817 125.0 55.7 -56.6 -36.7 -5.2 3.5 -6.1 81 10 D H H <> S+ 0 0 107 -3,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.797 100.9 58.5 -71.6 -29.7 -2.0 5.6 -6.1 82 11 D L H <> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.949 106.9 45.8 -62.7 -49.5 -3.8 8.8 -6.7 83 12 D V H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.760 111.1 54.0 -69.8 -26.0 -5.9 8.5 -3.5 84 13 D E H X S+ 0 0 70 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.841 109.0 48.2 -70.6 -38.2 -2.7 7.5 -1.5 85 14 D A H X S+ 0 0 12 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.848 110.0 53.1 -69.6 -35.7 -1.0 10.7 -2.7 86 15 D L H X>S+ 0 0 4 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.908 107.7 50.1 -64.2 -44.3 -4.0 12.7 -1.7 87 16 D Y H X5S+ 0 0 71 -4,-1.7 4,-1.2 3,-0.2 -2,-0.2 0.907 112.4 48.0 -60.5 -43.5 -4.0 11.3 1.8 88 17 D L H <5S+ 0 0 132 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.960 117.2 40.8 -59.9 -53.6 -0.2 12.1 2.1 89 18 D V H <5S+ 0 0 27 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.878 131.7 24.4 -63.8 -41.4 -0.7 15.7 0.8 90 19 D f H ><5S+ 0 0 9 -4,-2.9 3,-1.4 -5,-0.2 2,-0.4 0.921 79.2 155.6 -94.5 -56.3 -3.9 16.4 2.7 91 20 D G G ><