==== 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 06-MAY-12 4F1B . 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 . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 67.6 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 . 13 12.7 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 . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 15.7 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 . 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 36 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-166.3 -16.9 10.5 18.3 2 2 A I H >> + 0 0 1 47,-0.3 4,-2.9 1,-0.2 5,-0.5 0.835 360.0 53.6 -50.6 -39.4 -15.3 7.9 16.0 3 3 A V H >>S+ 0 0 31 2,-0.2 5,-2.6 1,-0.2 4,-1.9 0.930 111.6 43.8 -67.2 -43.1 -12.2 7.5 18.3 4 4 A E H 4>S+ 0 0 85 -3,-0.3 5,-2.1 3,-0.2 -2,-0.2 0.941 119.5 44.0 -65.1 -41.5 -14.3 6.8 21.4 5 5 A Q H <5S+ 0 0 91 -4,-2.7 -2,-0.2 3,-0.2 -3,-0.2 0.907 130.4 18.8 -71.4 -42.0 -16.6 4.4 19.4 6 6 A a H <5S+ 0 0 0 -4,-2.9 22,-3.4 -5,-0.2 5,-0.5 0.657 131.9 30.4-110.1 -25.5 -13.9 2.5 17.4 7 7 A b T < -A 25 0A 17 -2,-0.3 4,-2.2 13,-0.2 13,-0.2 -0.441 32.7-109.7 -87.5 162.3 -18.3 -2.9 13.6 13 13 A L H > S+ 0 0 64 11,-0.8 4,-0.9 1,-0.2 -1,-0.1 0.883 122.1 57.6 -58.9 -33.7 -17.7 -2.3 9.9 14 14 A Y H >4 S+ 0 0 141 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.892 104.5 49.2 -62.7 -43.1 -21.4 -1.2 9.9 15 15 A Q H >4 S+ 0 0 62 1,-0.2 3,-2.3 2,-0.2 4,-0.2 0.896 103.1 61.3 -65.5 -40.2 -20.8 1.4 12.5 16 16 A L H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.774 90.4 69.2 -53.1 -29.7 -17.8 2.7 10.6 17 17 A E G X< S+ 0 0 77 -4,-0.9 3,-1.5 -3,-0.7 -1,-0.3 0.696 80.2 78.5 -61.3 -17.7 -20.3 3.5 7.8 18 18 A N G < S+ 0 0 109 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.747 91.9 51.9 -58.5 -26.1 -21.6 6.2 10.1 19 19 A Y G < S+ 0 0 36 -3,-1.7 28,-2.1 -4,-0.2 -1,-0.2 0.279 85.3 107.5 -99.0 5.4 -18.7 8.3 9.0 20 20 A c B < B 46 0B 18 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.504 360.0 360.0 -74.6 154.0 -19.0 8.0 5.2 21 21 A N 0 0 116 24,-2.0 -1,-0.1 80,-0.2 24,-0.1 -0.267 360.0 360.0 -85.9 360.0 -20.2 10.9 3.2 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 0 187 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0-148.3 -18.6 -9.3 10.2 24 2 B V - 0 0 99 -13,-0.1 -11,-0.8 2,-0.0 2,-0.4 -0.872 360.0-131.5-126.1 173.4 -16.6 -8.5 13.4 25 3 B N E +A 12 0A 86 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.996 38.4 153.7-114.8 126.0 -16.0 -5.7 16.0 26 4 B Q E -A 11 0A 113 -15,-1.5 -15,-1.6 -2,-0.4 2,-0.6 -0.853 50.4 -85.6-142.2 167.6 -12.4 -4.8 16.9 27 5 B H - 0 0 122 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.784 43.0-174.5 -78.4 125.3 -10.3 -1.8 18.2 28 6 B L + 0 0 11 -22,-3.4 2,-0.3 -2,-0.6 -20,-0.1 -0.984 10.7 170.5-125.9 116.2 -9.3 0.4 15.2 29 7 B b > - 0 0 47 -2,-0.5 3,-1.5 -22,-0.1 4,-0.5 -0.942 42.5 -26.1-130.9 145.3 -7.0 3.3 16.1 30 8 B G T >> S- 0 0 17 -2,-0.3 4,-1.9 1,-0.3 3,-0.7 -0.173 127.8 -0.1 58.4-136.3 -5.0 6.0 14.2 31 9 B S H 3> S+ 0 0 32 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.832 132.9 60.0 -61.5 -28.7 -3.9 5.1 10.7 32 10 B H H <> S+ 0 0 133 -3,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.866 103.9 51.1 -62.1 -39.3 -5.7 1.7 11.1 33 11 B L H <> S+ 0 0 1 -3,-0.7 4,-2.7 -4,-0.5 -2,-0.2 0.943 111.3 45.9 -62.5 -48.2 -9.0 3.6 11.7 34 12 B V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.882 110.1 54.3 -71.5 -30.8 -8.6 5.7 8.6 35 13 B E H X S+ 0 0 57 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.915 109.4 48.9 -63.9 -39.3 -7.6 2.6 6.5 36 14 B A H X S+ 0 0 14 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.909 109.9 50.8 -65.0 -43.3 -10.9 1.0 7.7 37 15 B L H X>S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.6 0.932 109.1 51.5 -57.3 -47.4 -12.9 4.1 6.8 38 16 B Y H X5S+ 0 0 65 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.932 111.6 48.2 -53.0 -48.9 -11.3 4.0 3.3 39 17 B L H <5S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.929 118.7 37.4 -58.0 -48.2 -12.3 0.3 2.9 40 18 B V H <5S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.900 128.6 30.7 -78.6 -40.0 -15.9 0.7 4.0 41 19 B c H ><5S+ 0 0 4 -4,-3.2 3,-2.2 -5,-0.3 4,-0.2 0.844 77.8 151.9 -88.6 -39.6 -16.7 4.1 2.5 42 20 B G G >< + 0 0 30 -2,-0.6 3,-1.1 49,-0.2 -47,-0.3 -0.731 9.0 173.1-128.5 78.7 -12.8 14.1 12.9 50 28 B P T 3 S+ 0 0 21 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.792 77.7 64.6 -61.8 -28.7 -11.2 12.9 16.1 51 29 B K T 3 0 0 171 45,-0.5 46,-0.1 1,-0.3 47,-0.0 0.728 360.0 360.0 -68.0 -28.9 -12.0 16.1 18.0 52 30 B T < 0 0 101 -3,-1.1 -1,-0.3 -48,-0.0 -50,-0.0 -0.817 360.0 360.0 133.7 360.0 -15.3 14.8 17.4 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 62 0, 0.0 4,-2.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-167.3 -9.8 16.7 -7.4 55 2 C I H > + 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.838 360.0 55.5 -56.0 -39.2 -7.1 16.0 -4.9 56 3 C V H > S+ 0 0 18 46,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.921 115.7 37.9 -63.6 -43.8 -7.7 12.3 -4.8 57 4 C E H > S+ 0 0 48 -3,-0.2 4,-3.0 2,-0.2 5,-0.5 0.902 114.1 54.2 -74.8 -41.4 -7.3 12.0 -8.6 58 5 C Q H X S+ 0 0 61 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.913 105.7 52.4 -59.8 -47.2 -4.5 14.6 -8.9 59 6 C d H < S+ 0 0 0 -4,-2.5 22,-1.9 1,-0.2 -1,-0.2 0.800 118.7 37.9 -58.1 -32.7 -2.2 12.8 -6.3 60 7 C e H < S+ 0 0 42 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.861 121.2 38.3 -88.5 -42.9 -2.7 9.5 -8.2 61 8 C T H < S- 0 0 116 -4,-3.0 -3,-0.2 20,-0.1 -2,-0.2 0.814 138.6 -5.6 -82.0 -30.9 -2.6 10.5 -11.9 62 9 C S S < S- 0 0 63 -4,-1.9 2,-0.3 -5,-0.5 19,-0.1 0.065 98.6 -68.8-128.8-120.0 0.0 13.1 -11.4 63 10 C I - 0 0 86 17,-0.1 2,-0.3 -2,-0.0 17,-0.2 -0.956 35.5-167.2-140.5 163.3 1.7 14.4 -8.2 64 11 C d B -E 79 0C 0 15,-2.0 15,-2.9 -2,-0.3 2,-0.2 -0.982 16.4-123.8-146.3 159.5 0.7 16.5 -5.3 65 12 C S > - 0 0 22 -2,-0.3 4,-2.1 13,-0.2 3,-0.2 -0.622 23.6-119.7-102.9 159.0 2.3 18.3 -2.4 66 13 C L H > S+ 0 0 40 11,-0.4 4,-1.8 -2,-0.2 -1,-0.1 0.829 117.5 58.1 -60.6 -28.6 1.9 18.0 1.4 67 14 C Y H 4 S+ 0 0 137 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.855 105.2 48.1 -73.4 -34.4 0.8 21.6 1.3 68 15 C Q H >4 S+ 0 0 73 -3,-0.2 3,-1.2 1,-0.2 -2,-0.2 0.911 111.5 51.2 -65.0 -44.4 -2.0 20.8 -1.1 69 16 C L H >< S+ 0 0 0 -4,-2.1 3,-2.6 1,-0.3 4,-0.2 0.890 97.4 67.1 -59.5 -38.4 -3.0 17.9 1.2 70 17 C E G >< S+ 0 0 83 -4,-1.8 3,-1.4 1,-0.3 -1,-0.3 0.723 86.4 71.0 -59.6 -27.0 -3.0 20.2 4.2 71 18 C N G < S+ 0 0 119 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.624 92.1 58.0 -60.7 -17.4 -6.0 22.0 2.6 72 19 C Y G < S+ 0 0 59 -3,-2.6 28,-1.8 -4,-0.2 -1,-0.2 0.389 80.6 109.5 -98.6 -0.1 -8.2 18.9 3.3 73 20 C f B < D 99 0B 15 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.424 360.0 360.0 -67.2 153.3 -7.6 19.0 7.1 74 21 C N 0 0 111 24,-2.0 -1,-0.1 23,-0.2 -2,-0.0 -0.348 360.0 360.0 -74.3 360.0 -10.5 20.0 9.3 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 0 190 0, 0.0 2,-0.3 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 159.1 9.1 18.2 1.8 77 2 D V - 0 0 111 1,-0.1 -11,-0.4 -12,-0.0 2,-0.0 -0.706 360.0 -93.4-110.1 154.7 8.9 16.4 -1.5 78 3 D N - 0 0 104 -2,-0.3 2,-0.4 -13,-0.1 -13,-0.2 -0.281 44.1-136.3 -68.7 154.5 6.1 15.9 -4.1 79 4 D Q B -E 64 0C 43 -15,-2.9 -15,-2.0 2,-0.1 2,-0.5 -0.901 19.8-159.9-122.2 144.3 4.0 12.9 -3.7 80 5 D H + 0 0 125 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.950 33.0 170.9-122.3 103.8 2.5 10.2 -6.0 81 6 D L + 0 0 21 -22,-1.9 2,-0.3 -2,-0.5 -20,-0.1 -0.969 11.2 174.8-130.7 119.6 -0.4 8.7 -3.9 82 7 D e > - 0 0 47 -2,-0.5 3,-1.8 -22,-0.1 4,-0.3 -0.860 52.5 -24.2-120.1 155.5 -3.1 6.3 -4.9 83 8 D G T >> S- 0 0 29 -2,-0.3 3,-1.3 1,-0.3 4,-0.8 -0.097 129.5 -1.3 51.9-131.0 -5.8 4.5 -3.0 84 9 D S H 3> S+ 0 0 31 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.733 123.3 73.1 -62.9 -23.0 -5.2 4.0 0.6 85 10 D H H <> S+ 0 0 121 -3,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.822 94.3 53.7 -62.3 -32.3 -1.8 5.6 0.3 86 11 D L H <> S+ 0 0 1 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.904 107.3 50.3 -67.6 -44.0 -3.5 9.0 -0.1 87 12 D V H X S+ 0 0 0 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.880 108.7 52.3 -62.7 -37.1 -5.5 8.4 3.2 88 13 D E H X S+ 0 0 49 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.905 109.4 49.6 -61.9 -42.9 -2.4 7.5 5.0 89 14 D A H X S+ 0 0 12 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.917 110.6 50.0 -65.2 -47.9 -0.7 10.8 3.9 90 15 D L H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.924 108.0 53.7 -53.7 -46.1 -3.8 12.8 5.0 91 16 D Y H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.946 112.8 43.0 -52.8 -46.7 -3.7 11.1 8.3 92 17 D L H < S+ 0 0 136 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.894 117.0 46.7 -69.4 -42.5 0.0 12.1 8.8 93 18 D V H < S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 120.1 35.6 -67.6 -45.4 -0.4 15.7 7.5 94 19 D f H >< S+ 0 0 3 -4,-2.8 3,-1.9 -5,-0.2 -2,-0.2 0.728 79.7 172.5 -90.6 -27.1 -3.6 16.6 9.4 95 20 D G G >< S- 0 0 30 -4,-2.0 3,-1.8 -5,-0.4 -1,-0.2 -0.204 71.0 -2.8 60.5-133.7 -3.0 14.8 12.7 96 21 D E G 3 S+ 0 0 154 1,-0.3 -45,-0.5 -46,-0.1 -1,-0.3 0.637 126.2 70.9 -69.4 -15.6 -5.6 15.6 15.4 97 22 D R G < S- 0 0 106 -3,-1.9 -1,-0.3 1,-0.1 -23,-0.2 0.764 91.5-157.3 -65.0 -29.8 -7.3 18.0 13.1 98 23 D G < - 0 0 0 -3,-1.8 -24,-2.0 -7,-0.2 2,-0.3 -0.119 5.1-132.3 66.0-169.9 -8.5 15.1 11.0 99 24 D F E -CD 48 73B 0 -51,-1.7 -51,-2.7 -26,-0.3 2,-0.4 -0.971 6.2-108.3-166.5 168.3 -9.5 15.5 7.4 100 25 D F E -C 47 0B 71 -28,-1.8 2,-0.6 -2,-0.3 -53,-0.2 -0.973 18.2-154.3-120.7 135.4 -12.1 14.8 4.8 101 26 D Y E +C 46 0B 12 -55,-2.7 -55,-2.0 -2,-0.4 -80,-0.2 -0.921 21.5 168.9-109.0 114.3 -11.6 12.3 2.0 102 27 D T - 0 0 55 -2,-0.6 -46,-0.3 -57,-0.2 -47,-0.1 -0.743 8.5-175.4-135.8 83.7 -13.7 13.2 -1.1 103 28 D P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.250 35.9 -93.1 -69.7 160.3 -12.9 11.4 -4.3 104 29 D K 0 0 143 -50,-0.1 -59,-0.1 -59,-0.0 0, 0.0 -0.565 360.0 360.0 -66.8 148.3 -14.6 12.1 -7.6 105 30 D T 0 0 144 -2,-0.2 0, 0.0 -61,-0.1 0, 0.0 -0.060 360.0 360.0 37.9 360.0 -17.7 10.1 -8.5