==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 21-FEB-12 4AJZ . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.B.STEENSGAARD,G.SCHLUCKEBIER,H.M.STRAUSS,M.NORRMAN,J.K.THO . 99 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 64.6 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 8.1 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 . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 37.4 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 4 0 0 0 0 0 1 0 0 0 0 0 1 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 . 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 62 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 175.5 -16.8 -10.6 -12.3 2 2 A I H >> + 0 0 2 47,-0.4 4,-3.0 1,-0.2 5,-0.6 0.768 360.0 54.4 -57.3 -34.2 -15.2 -7.8 -10.3 3 3 A V H >>S+ 0 0 30 46,-0.3 5,-2.6 3,-0.2 4,-2.0 0.956 112.4 43.2 -65.7 -48.5 -12.0 -7.7 -12.5 4 4 A E H 4>S+ 0 0 82 3,-0.2 5,-0.8 1,-0.2 -2,-0.2 0.923 122.5 38.8 -65.4 -41.6 -14.1 -7.2 -15.6 5 5 A Q H <5S+ 0 0 89 -4,-2.7 -2,-0.2 3,-0.1 -1,-0.2 0.902 132.6 18.6 -75.3 -43.6 -16.4 -4.6 -14.0 6 6 A a H <5S+ 0 0 0 -4,-3.0 22,-2.2 -5,-0.2 5,-0.5 0.638 128.2 37.6-108.2 -19.4 -13.9 -2.7 -11.8 7 7 A b T < - 0 0 51 -2,-0.4 4,-2.3 13,-0.1 5,-0.2 -0.261 37.3-100.8 -72.8 167.5 -18.9 3.3 -9.2 13 13 A L H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.858 126.7 53.3 -55.8 -37.7 -18.9 3.1 -5.4 14 14 A Y H > S+ 0 0 165 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.912 107.0 49.4 -67.3 -44.2 -22.3 1.3 -5.8 15 15 A Q H >4 S+ 0 0 55 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.890 110.2 52.1 -60.7 -42.0 -21.0 -1.3 -8.2 16 16 A L H >< S+ 0 0 2 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.907 100.4 61.1 -62.2 -38.6 -18.1 -2.0 -5.8 17 17 A E H >< S+ 0 0 74 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.727 85.9 77.0 -61.1 -19.0 -20.5 -2.5 -2.9 18 18 A N T << S+ 0 0 93 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.678 93.0 54.8 -62.1 -19.2 -22.0 -5.5 -5.0 19 19 A Y T < S+ 0 0 36 -3,-2.1 28,-2.0 -4,-0.2 -1,-0.2 0.401 83.8 104.7 -99.8 6.8 -18.8 -7.4 -3.8 20 20 A c B < A 46 0A 14 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.423 360.0 360.0 -73.9 156.7 -19.4 -6.7 -0.0 21 21 A N 0 0 101 24,-2.2 -1,-0.1 78,-0.2 -2,-0.1 -0.494 360.0 360.0 -82.6 360.0 -20.7 -9.7 2.0 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 0 124 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.9 -15.5 8.4 -4.8 24 2 B V - 0 0 82 1,-0.1 2,-0.4 -12,-0.1 -11,-0.0 -0.295 360.0-156.7 -57.1 138.7 -12.7 7.8 -7.2 25 3 B N + 0 0 126 -13,-0.1 2,-0.3 -15,-0.0 -13,-0.1 -0.807 51.5 114.2-115.4 82.6 -13.9 6.7 -10.8 26 4 B Q S S- 0 0 100 -2,-0.4 -15,-0.5 -15,-0.3 2,-0.1 -0.936 76.3 -79.6-144.5 161.7 -10.8 4.9 -11.9 27 5 B H - 0 0 87 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.2 -0.425 45.1-162.1 -64.0 136.9 -9.7 1.4 -12.9 28 6 B L + 0 0 20 -22,-2.2 2,-0.3 -19,-0.5 -19,-0.1 -0.980 16.1 172.0-131.0 117.5 -9.0 -0.5 -9.7 29 7 B b > - 0 0 49 -2,-0.4 3,-1.8 -22,-0.1 4,-0.4 -0.919 39.9 -27.6-135.9 153.2 -6.9 -3.5 -10.0 30 8 B G T 3> S+ 0 0 14 -2,-0.3 4,-2.0 1,-0.3 3,-0.3 -0.196 128.0 4.2 51.2-124.0 -5.2 -6.2 -8.0 31 9 B S H 3> S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.837 133.4 56.1 -64.9 -28.2 -4.1 -5.0 -4.6 32 10 B H H <> S+ 0 0 135 -3,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.888 106.1 50.7 -66.1 -38.6 -5.8 -1.6 -5.1 33 11 B L H > S+ 0 0 0 -4,-0.4 4,-2.3 -3,-0.3 -2,-0.2 0.926 110.1 49.1 -65.0 -45.3 -9.1 -3.2 -5.8 34 12 B V H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.902 111.0 50.9 -63.9 -38.5 -8.9 -5.3 -2.6 35 13 B E H X S+ 0 0 72 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 108.3 52.4 -61.3 -43.8 -8.0 -2.2 -0.6 36 14 B A H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.932 111.1 45.8 -56.4 -48.5 -11.0 -0.3 -2.1 37 15 B L H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.4 0.917 109.3 56.0 -61.7 -38.3 -13.4 -3.2 -1.1 38 16 B Y H X S+ 0 0 17 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.917 114.9 38.6 -59.4 -46.7 -11.9 -3.4 2.4 39 17 B L H < S+ 0 0 110 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.911 120.3 43.9 -65.8 -52.0 -12.6 0.4 2.9 40 18 B V H < S+ 0 0 18 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.888 116.1 45.9 -64.3 -44.3 -16.0 0.5 1.2 41 19 B c H >< S+ 0 0 1 -4,-3.1 3,-1.7 -5,-0.3 4,-0.2 0.773 80.9 171.2 -81.1 -24.1 -17.4 -2.7 2.8 42 20 B G G >< + 0 0 36 -4,-1.2 3,-1.5 -5,-0.4 -1,-0.2 -0.205 67.9 0.3 58.8-137.2 -16.3 -2.0 6.3 43 21 B E G 3 S+ 0 0 149 1,-0.3 59,-0.3 58,-0.1 -1,-0.3 0.713 127.1 67.5 -60.1 -19.6 -17.6 -4.5 9.0 44 22 B R G < S- 0 0 119 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.850 90.9-157.0 -65.9 -36.8 -19.5 -6.4 6.3 45 23 B G < - 0 0 1 -3,-1.5 -24,-2.2 -7,-0.2 2,-0.3 -0.225 8.3-124.4 69.8-169.5 -16.2 -7.6 4.7 46 24 B F E -AB 20 99A 0 53,-1.5 53,-3.6 -26,-0.3 2,-0.4 -0.890 3.4-112.8-158.4 171.5 -16.1 -8.7 1.1 47 25 B F E - B 0 98A 56 -28,-2.0 2,-0.6 -2,-0.3 51,-0.3 -0.998 15.7-161.6-123.9 131.7 -15.2 -11.4 -1.4 48 26 B Y E + B 0 97A 14 49,-3.5 49,-2.4 -2,-0.4 -2,-0.0 -0.943 20.7 163.8-115.4 105.4 -12.4 -11.2 -3.9 49 27 B T - 0 0 72 -2,-0.6 -47,-0.4 47,-0.2 -46,-0.3 -0.867 12.1-177.3-125.6 88.1 -13.0 -13.7 -6.6 50 28 B P 0 0 25 0, 0.0 -2,-0.0 0, 0.0 -48,-0.0 -0.214 360.0 360.0 -75.1 173.5 -10.9 -13.0 -9.7 51 29 B K 0 0 196 -50,-0.0 -49,-0.0 -2,-0.0 0, 0.0 0.820 360.0 360.0 -64.5 360.0 -11.0 -15.1 -12.9 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 63 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-178.9 -11.1 -15.4 12.7 54 2 C I H > + 0 0 7 46,-0.3 4,-3.0 1,-0.2 5,-0.3 0.775 360.0 51.6 -56.3 -36.4 -8.2 -13.9 10.8 55 3 C V H > S+ 0 0 10 46,-0.2 4,-1.9 45,-0.2 -1,-0.2 0.956 112.9 45.3 -67.1 -48.8 -8.2 -10.6 12.8 56 4 C E H 4 S+ 0 0 103 45,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.919 123.3 35.7 -61.6 -45.3 -8.2 -12.5 16.0 57 5 C Q H X S+ 0 0 69 -4,-2.9 4,-1.0 1,-0.1 3,-0.2 0.939 126.5 32.7 -72.6 -49.0 -5.4 -14.9 14.9 58 6 C d H < S+ 0 0 11 -4,-3.0 5,-0.4 -5,-0.2 -3,-0.2 0.492 114.6 53.5-101.0 -4.9 -3.2 -12.7 12.7 59 7 C e T < S+ 0 0 31 -4,-1.9 -1,-0.2 -5,-0.3 -3,-0.1 0.454 110.7 48.1-101.2 -5.1 -3.4 -9.3 14.3 60 8 C T T 4 S+ 0 0 118 -4,-0.4 2,-0.3 1,-0.4 -2,-0.2 0.631 129.0 12.0-101.4 -26.7 -2.4 -10.7 17.7 61 9 C S S < S- 0 0 74 -4,-1.0 -1,-0.4 -5,-0.1 2,-0.2 -0.979 93.3 -89.0-142.8 167.9 0.5 -12.6 16.3 62 10 C I - 0 0 162 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.491 38.6-149.5 -77.9 134.4 2.3 -12.6 13.0 63 11 C d - 0 0 19 -5,-0.4 -1,-0.0 -2,-0.2 -5,-0.0 -0.924 8.5-137.4-108.6 131.9 0.9 -15.0 10.5 64 12 C S > - 0 0 47 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.218 33.7 -99.2 -76.7 169.7 3.2 -16.7 7.9 65 13 C L H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.849 128.3 53.8 -53.8 -37.8 2.2 -17.1 4.2 66 14 C Y H > S+ 0 0 178 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.893 109.0 45.0 -69.8 -43.5 1.3 -20.7 5.2 67 15 C Q H >4 S+ 0 0 87 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.892 114.2 51.6 -63.4 -39.7 -1.0 -19.6 8.1 68 16 C L H >< S+ 0 0 12 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.852 96.6 66.9 -66.1 -35.9 -2.6 -17.0 5.8 69 17 C E H >< S+ 0 0 90 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.768 85.0 72.8 -61.6 -22.2 -3.3 -19.5 3.1 70 18 C N T << S+ 0 0 135 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.850 94.2 55.4 -59.8 -29.5 -5.9 -21.2 5.4 71 19 C Y T < S+ 0 0 56 -3,-1.7 27,-0.5 -4,-0.3 -1,-0.3 0.426 89.3 100.4 -86.8 2.2 -8.1 -18.2 4.7 72 20 C f B < C 97 0A 13 -3,-1.9 25,-0.2 -4,-0.2 24,-0.1 -0.360 360.0 360.0 -74.7 164.1 -8.0 -18.6 0.9 73 21 C N 0 0 85 23,-2.5 24,-0.1 -2,-0.0 -1,-0.1 0.588 360.0 360.0 -73.4 360.0 -10.8 -20.2 -1.2 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 2 D V >> 0 0 144 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 16.3 -7.5 1.9 15.2 76 3 D N H 3> + 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.811 360.0 50.7 -58.9 -30.0 -4.8 -0.8 15.1 77 4 D Q H 3> S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 108.9 52.4 -71.6 -37.3 -7.2 -3.7 14.0 78 5 D H H <> S+ 0 0 101 -3,-0.7 4,-1.2 2,-0.2 -2,-0.2 0.896 113.7 43.5 -59.9 -42.0 -8.4 -1.4 11.2 79 6 D L H X S+ 0 0 94 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.906 112.0 52.7 -72.2 -40.0 -4.8 -0.9 10.1 80 7 D e H X S+ 0 0 23 -4,-2.4 4,-2.4 -5,-0.2 3,-0.3 0.930 104.1 57.4 -59.3 -44.8 -3.9 -4.6 10.5 81 8 D G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 5,-0.2 0.878 99.9 57.8 -59.9 -37.0 -6.8 -5.6 8.3 82 9 D S H X S+ 0 0 26 -4,-1.2 4,-1.7 1,-0.2 -1,-0.3 0.918 110.2 43.4 -57.3 -47.8 -5.6 -3.5 5.4 83 10 D H H X S+ 0 0 121 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.848 111.3 55.4 -64.4 -40.1 -2.3 -5.4 5.4 84 11 D L H X S+ 0 0 12 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.912 106.7 49.1 -58.9 -44.8 -4.1 -8.7 5.9 85 12 D V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.876 111.6 50.0 -65.5 -36.6 -6.2 -8.2 2.8 86 13 D E H X S+ 0 0 90 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.907 111.7 48.2 -65.1 -41.8 -3.1 -7.2 0.7 87 14 D A H X S+ 0 0 27 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.915 110.5 50.8 -66.9 -38.9 -1.3 -10.4 1.9 88 15 D L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.888 105.8 55.6 -63.1 -35.7 -4.3 -12.5 1.1 89 16 D Y H X S+ 0 0 74 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.943 115.3 40.3 -59.2 -49.2 -4.4 -11.0 -2.4 90 17 D L H < S+ 0 0 126 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.934 120.8 40.3 -61.2 -53.8 -0.8 -12.2 -2.7 91 18 D V H < S+ 0 0 35 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.916 119.1 44.5 -68.5 -42.1 -1.0 -15.6 -1.0 92 19 D f H >< S+ 0 0 6 -4,-2.6 3,-2.1 -5,-0.3 -1,-0.2 0.810 76.8 167.0 -77.4 -30.5 -4.4 -16.6 -2.5 93 20 D G G >< S- 0 0 38 -4,-1.5 3,-1.6 -5,-0.4 -1,-0.2 -0.226 73.2 -1.2 53.2-133.9 -3.9 -15.6 -6.1 94 21 D E G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -45,-0.1 -2,-0.1 0.614 124.3 72.5 -61.3 -18.1 -6.6 -17.1 -8.4 95 22 D R G < S- 0 0 116 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.848 86.0-165.2 -65.7 -34.4 -8.2 -18.8 -5.5 96 23 D G < - 0 0 0 -3,-1.6 -23,-2.5 -7,-0.2 2,-0.3 -0.188 4.3-128.4 69.3-167.7 -9.5 -15.6 -4.2 97 24 D F E -BC 48 72A 1 -49,-2.4 -49,-3.5 -25,-0.2 2,-0.4 -0.982 6.8-121.4-170.8 154.3 -10.8 -15.2 -0.7 98 25 D F E -B 47 0A 98 -27,-0.5 2,-0.6 -2,-0.3 -51,-0.2 -0.902 24.3-150.4-100.4 137.5 -13.6 -14.0 1.5 99 26 D Y E +B 46 0A 5 -53,-3.6 -53,-1.5 -2,-0.4 -78,-0.2 -0.963 21.7 170.9-112.3 116.5 -12.6 -11.5 4.1 100 27 D T + 0 0 88 -2,-0.6 -46,-0.3 -55,-0.2 -45,-0.2 -0.873 4.6 164.0-132.3 92.6 -14.8 -11.8 7.1 101 28 D P 0 0 23 0, 0.0 -46,-0.2 0, 0.0 -45,-0.2 0.993 360.0 360.0 -78.8 -84.8 -13.6 -9.6 10.0 102 29 D K 0 0 209 -59,-0.3 -58,-0.1 -47,-0.1 -59,-0.1 0.804 360.0 360.0 -62.2 360.0 -16.0 -9.0 12.9