==== 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 04-MAY-12 4F0N . 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 . 101 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 67.3 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 12.9 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 30.7 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 1 2 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 35 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-171.3 -0.7 19.9 -11.5 2 2 A I H > + 0 0 2 47,-0.3 4,-2.9 1,-0.2 5,-0.4 0.820 360.0 52.8 -53.4 -37.9 0.7 17.2 -9.1 3 3 A V H >>S+ 0 0 31 2,-0.2 5,-2.6 3,-0.2 4,-1.8 0.891 112.8 43.6 -71.5 -39.5 -0.4 14.3 -11.3 4 4 A E H 4>S+ 0 0 88 -3,-0.3 5,-2.1 3,-0.2 -2,-0.2 0.919 119.3 43.6 -70.5 -41.2 1.2 15.7 -14.4 5 5 A Q H <5S+ 0 0 94 -4,-2.7 -2,-0.2 3,-0.2 -3,-0.2 0.944 130.4 21.0 -68.0 -44.3 4.4 16.6 -12.5 6 6 A a H <5S+ 0 0 0 -4,-2.9 22,-3.3 -5,-0.2 5,-0.5 0.732 132.1 28.3-108.1 -26.9 4.7 13.4 -10.5 7 7 A b T <5S+ 0 0 29 -4,-1.8 -3,-0.2 -5,-0.4 22,-0.1 0.840 127.9 34.5 -97.9 -51.3 2.8 10.6 -12.2 8 8 A T T -A 25 0A 13 -2,-0.3 4,-2.3 13,-0.2 13,-0.2 -0.429 33.7-108.5 -81.8 163.7 11.7 14.5 -6.8 13 13 A L H > S+ 0 0 60 11,-0.6 4,-1.0 1,-0.2 -1,-0.1 0.868 122.9 58.0 -57.5 -36.7 10.8 14.3 -3.1 14 14 A Y H >4 S+ 0 0 142 2,-0.2 3,-0.9 1,-0.2 4,-0.3 0.928 104.9 48.1 -58.2 -47.2 11.7 18.0 -3.1 15 15 A Q H >4 S+ 0 0 60 1,-0.3 3,-2.4 2,-0.2 4,-0.2 0.922 104.8 60.6 -63.0 -39.8 9.1 18.8 -5.8 16 16 A L H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.3 0.798 92.7 66.8 -53.7 -29.3 6.6 16.7 -3.8 17 17 A E G X< S+ 0 0 80 -4,-1.0 3,-1.6 -3,-0.9 -1,-0.3 0.675 79.9 80.1 -66.8 -17.5 7.1 19.3 -0.9 18 18 A N G < S+ 0 0 113 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.698 91.9 52.0 -57.9 -19.2 5.5 21.9 -3.2 19 19 A Y G < S+ 0 0 35 -3,-1.5 28,-2.1 -4,-0.2 -1,-0.2 0.285 83.6 108.2-110.3 8.7 2.1 20.4 -2.1 20 20 A c B < B 46 0B 15 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.451 360.0 360.0 -73.5 156.0 2.6 20.5 1.6 21 21 A N 0 0 101 24,-2.3 -1,-0.1 80,-0.2 24,-0.1 -0.408 360.0 360.0 -87.2 360.0 0.6 23.0 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 1 B F 0 0 194 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 174.8 17.1 10.9 -3.1 24 2 B V - 0 0 93 -13,-0.1 -11,-0.6 2,-0.0 2,-0.4 -0.679 360.0-113.0-131.5 174.9 15.7 10.2 -6.6 25 3 B N E +A 12 0A 84 -2,-0.2 2,-0.2 -13,-0.2 -13,-0.2 -0.977 45.7 150.1-116.9 118.7 13.0 11.0 -9.3 26 4 B Q E -A 11 0A 109 -15,-1.2 -15,-1.6 -2,-0.4 2,-0.5 -0.792 51.7 -82.9-133.0 171.1 10.4 8.3 -10.1 27 5 B H - 0 0 111 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.704 41.7-173.6 -76.7 126.3 6.7 8.0 -11.3 28 6 B L + 0 0 11 -22,-3.3 2,-0.3 -2,-0.5 -20,-0.1 -0.962 13.0 166.2-126.3 113.5 4.3 8.4 -8.3 29 7 B b > - 0 0 48 -2,-0.5 3,-1.3 -22,-0.1 4,-0.3 -0.929 42.0 -20.8-129.6 150.2 0.6 7.8 -9.2 30 8 B G T >> S- 0 0 20 -2,-0.3 4,-1.9 1,-0.3 3,-0.8 -0.180 126.1 -2.9 61.8-140.6 -2.6 7.2 -7.3 31 9 B S H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.852 134.0 60.4 -53.2 -33.9 -2.6 6.0 -3.8 32 10 B H H <> S+ 0 0 128 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.855 102.6 50.1 -66.3 -36.9 1.2 5.8 -4.1 33 11 B L H <> S+ 0 0 1 -3,-0.8 4,-2.8 -4,-0.3 -1,-0.2 0.944 111.4 47.8 -63.3 -47.7 1.5 9.6 -4.8 34 12 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.878 109.5 55.4 -63.7 -31.0 -0.7 10.4 -1.7 35 13 B E H X S+ 0 0 58 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.893 108.7 46.3 -65.4 -40.4 1.5 8.0 0.3 36 14 B A H X S+ 0 0 14 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.904 109.0 55.1 -69.5 -40.1 4.6 9.9 -0.7 37 15 B L H X>S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.5 0.943 109.2 48.5 -55.6 -45.9 2.8 13.3 0.1 38 16 B Y H X5S+ 0 0 65 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.945 111.7 50.8 -59.0 -47.9 2.2 11.9 3.6 39 17 B L H <5S+ 0 0 143 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.918 118.9 34.2 -54.1 -50.7 5.9 10.8 3.9 40 18 B V H <5S+ 0 0 29 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.873 128.8 32.7 -79.6 -37.6 7.3 14.2 2.9 41 19 B c H ><5S+ 0 0 2 -4,-2.8 3,-2.0 -5,-0.3 -3,-0.2 0.849 76.9 151.5 -89.3 -39.5 4.7 16.6 4.4 42 20 B G G >< + 0 0 23 -2,-0.6 3,-1.8 49,-0.2 -47,-0.3 -0.720 11.7 172.7-131.2 82.9 -5.8 18.1 -6.1 50 28 B P T 3 S+ 0 0 25 0, 0.0 -46,-0.2 0, 0.0 -47,-0.2 0.835 80.5 65.0 -57.0 -34.8 -5.5 16.1 -9.4 51 29 B K T 3 0 0 149 45,-0.5 46,-0.1 1,-0.2 47,-0.0 0.725 360.0 360.0 -61.4 -21.4 -7.9 18.5 -11.0 52 30 B T < 0 0 99 -3,-1.8 -1,-0.2 0, 0.0 -4,-0.0 0.880 360.0 360.0 -77.3 360.0 -5.3 21.2 -10.5 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 65 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-162.9 -9.7 16.9 14.2 55 2 C I H > + 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.824 360.0 55.8 -68.4 -34.7 -10.4 14.1 11.8 56 3 C V H > S+ 0 0 17 46,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.845 115.0 38.2 -68.0 -34.0 -6.8 12.8 11.8 57 4 C E H > S+ 0 0 52 -3,-0.3 4,-3.2 2,-0.2 3,-0.5 0.923 114.6 54.2 -82.1 -44.7 -6.8 12.3 15.6 58 5 C Q H X S+ 0 0 60 -4,-2.9 4,-1.9 1,-0.3 -2,-0.2 0.874 108.4 48.3 -58.5 -43.9 -10.5 11.1 15.8 59 6 C d H < S+ 0 0 0 -4,-2.3 22,-2.1 1,-0.2 -1,-0.3 0.808 119.0 41.2 -68.5 -28.9 -10.0 8.3 13.2 60 7 C e H < S+ 0 0 45 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.909 122.7 34.3 -85.1 -42.6 -6.8 7.2 15.1 61 8 C T H < S- 0 0 119 -4,-3.2 -3,-0.2 20,-0.1 -2,-0.2 0.700 138.5 -2.5 -89.8 -29.1 -7.9 7.5 18.8 62 9 C S S < S- 0 0 65 -4,-1.9 2,-0.3 -5,-0.4 19,-0.1 -0.088 98.8 -76.5-124.5-121.8 -11.6 6.5 18.3 63 10 C I - 0 0 76 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.886 34.9-163.9-139.7 171.2 -13.4 5.7 15.0 64 11 C d B -E 79 0C 0 15,-1.7 15,-3.0 -2,-0.3 2,-0.2 -0.979 17.0-120.3-155.2 157.5 -14.7 7.7 12.1 65 12 C S > - 0 0 23 -2,-0.3 4,-2.2 13,-0.2 13,-0.1 -0.656 23.1-120.7 -99.9 158.6 -17.1 7.1 9.2 66 13 C L H > S+ 0 0 36 11,-0.4 4,-2.0 -2,-0.2 -1,-0.1 0.838 117.7 59.8 -59.8 -33.0 -16.4 7.3 5.4 67 14 C Y H > S+ 0 0 137 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.884 105.2 46.2 -65.5 -37.5 -19.2 10.0 5.5 68 15 C Q H >4 S+ 0 0 73 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.888 111.4 54.4 -67.5 -40.7 -17.1 12.1 8.0 69 16 C L H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.889 96.2 65.9 -56.3 -40.1 -14.1 11.5 5.7 70 17 C E H >< S+ 0 0 82 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.736 86.2 70.9 -61.3 -24.9 -16.0 12.8 2.6 71 18 C N T << S+ 0 0 121 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.611 91.8 59.1 -64.8 -15.4 -16.1 16.3 4.2 72 19 C Y T < S+ 0 0 61 -3,-2.2 28,-2.1 -4,-0.2 -1,-0.3 0.327 81.3 109.3 -98.3 3.7 -12.3 16.6 3.5 73 20 C f B < D 99 0B 17 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.533 360.0 360.0 -70.4 149.4 -12.7 16.2 -0.2 74 21 C N 0 0 92 24,-1.5 -1,-0.1 -26,-0.2 -2,-0.1 -0.347 360.0 360.0 -73.5 360.0 -12.1 19.2 -2.3 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 0 191 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 157.0 -20.4 1.2 5.1 77 2 D V - 0 0 110 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.714 360.0 -94.1-101.9 156.4 -18.6 0.3 8.4 78 3 D N - 0 0 104 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.357 44.6-131.5 -67.3 157.5 -16.9 2.6 10.9 79 4 D Q B -E 64 0C 43 -15,-3.0 -15,-1.7 -2,-0.1 2,-0.5 -0.870 20.3-162.8-127.7 140.0 -13.2 3.0 10.6 80 5 D H + 0 0 133 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.2 -0.960 32.3 167.2-122.7 106.7 -10.1 2.9 12.8 81 6 D L + 0 0 21 -22,-2.1 2,-0.3 -2,-0.5 -19,-0.1 -0.975 13.1 176.8-138.5 117.3 -7.3 4.5 10.8 82 7 D e > - 0 0 47 -2,-0.4 3,-1.8 -22,-0.1 4,-0.3 -0.853 54.3 -25.4-117.8 151.2 -3.9 5.8 11.9 83 8 D G T >> S+ 0 0 28 -2,-0.3 3,-1.4 1,-0.3 4,-0.9 -0.094 128.5 1.9 57.4-132.1 -1.1 7.3 9.9 84 9 D S H 3> S+ 0 0 32 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.698 122.6 70.5 -64.7 -21.8 -0.9 6.5 6.2 85 10 D H H <> S+ 0 0 121 -3,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.800 94.9 55.4 -67.5 -26.8 -4.1 4.4 6.4 86 11 D L H <> S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.3 -1,-0.2 0.942 107.6 47.9 -68.2 -46.6 -6.1 7.6 6.9 87 12 D V H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.870 110.1 52.5 -61.6 -37.4 -4.6 9.1 3.6 88 13 D E H X S+ 0 0 46 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.912 110.4 48.6 -60.8 -44.0 -5.4 5.8 1.7 89 14 D A H X S+ 0 0 13 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.949 111.3 48.6 -66.0 -44.4 -9.0 6.0 2.9 90 15 D L H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.900 110.0 53.6 -61.9 -42.5 -9.3 9.7 1.9 91 16 D Y H X S+ 0 0 57 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.942 112.8 42.3 -51.7 -52.6 -7.8 8.8 -1.5 92 17 D L H < S+ 0 0 136 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.850 118.0 46.9 -66.6 -36.4 -10.5 6.1 -2.1 93 18 D V H < S+ 0 0 35 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.861 120.3 35.2 -75.4 -35.5 -13.3 8.2 -0.7 94 19 D f H >< S+ 0 0 4 -4,-2.6 3,-1.9 -5,-0.2 -2,-0.2 0.766 80.3 168.4 -95.9 -28.9 -12.6 11.4 -2.6 95 20 D G G >< S+ 0 0 32 -4,-2.4 3,-1.7 -5,-0.3 -1,-0.2 -0.223 70.5 3.8 57.1-129.2 -11.2 10.0 -5.9 96 21 D E G 3 S+ 0 0 159 1,-0.3 -45,-0.5 -46,-0.1 -1,-0.3 0.676 126.1 66.4 -68.3 -14.7 -10.9 12.6 -8.7 97 22 D R G < S- 0 0 83 -3,-1.9 -1,-0.3 1,-0.1 -23,-0.2 0.769 92.1-154.2 -71.9 -24.1 -11.9 15.4 -6.3 98 23 D G < - 0 0 0 -3,-1.7 -24,-1.5 -7,-0.2 2,-0.3 -0.185 7.2-128.0 66.0-170.1 -8.8 15.0 -4.2 99 24 D F E -CD 48 73B 1 -51,-1.6 -51,-2.8 -26,-0.3 2,-0.4 -0.958 5.7-111.8-163.5 167.4 -8.7 16.0 -0.6 100 25 D F E -C 47 0B 68 -28,-2.1 2,-0.6 -2,-0.3 -53,-0.2 -0.976 19.7-152.5-118.5 137.1 -6.8 17.9 2.1 101 26 D Y E +C 46 0B 10 -55,-3.1 -55,-2.0 -2,-0.4 -80,-0.2 -0.928 21.4 170.3-112.3 114.5 -4.9 16.2 4.9 102 27 D T + 0 0 54 -2,-0.6 -46,-0.3 -57,-0.2 -47,-0.2 -0.704 5.3 179.7-135.2 80.4 -4.7 18.4 8.0 103 28 D P 0 0 27 0, 0.0 -48,-0.0 0, 0.0 -2,-0.0 -0.237 360.0 360.0 -71.1 164.1 -3.4 16.9 11.3 104 29 D K 0 0 201 -50,-0.1 -59,-0.1 -59,-0.0 0, 0.0 -0.483 360.0 360.0 -65.8 360.0 -3.0 18.8 14.6