==== 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 11-MAY-12 4F4T . 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) . 5863.0 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 . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 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 31 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-159.9 -0.6 19.9 -18.1 2 2 A I H >> + 0 0 2 47,-0.3 4,-2.9 1,-0.2 5,-0.5 0.832 360.0 53.0 -51.8 -41.9 0.8 17.2 -15.8 3 3 A V H >>S+ 0 0 30 1,-0.2 5,-2.8 2,-0.2 4,-1.8 0.929 113.3 43.7 -64.5 -40.1 -0.5 14.3 -18.1 4 4 A E H 4>S+ 0 0 86 -3,-0.3 5,-2.4 3,-0.2 -2,-0.2 0.927 118.9 43.3 -68.1 -42.6 1.3 15.8 -21.1 5 5 A Q H <5S+ 0 0 93 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.902 130.4 19.7 -69.5 -41.4 4.5 16.6 -19.2 6 6 A a H <5S+ 0 0 0 -4,-2.9 22,-3.3 -5,-0.2 5,-0.5 0.673 131.8 29.9-112.7 -24.8 4.8 13.3 -17.2 7 7 A b T < -A 25 0A 16 -2,-0.3 4,-1.9 13,-0.2 13,-0.2 -0.428 33.4-108.4 -88.6 167.5 11.7 14.3 -13.4 13 13 A L H > S+ 0 0 61 11,-0.7 4,-1.0 1,-0.2 -1,-0.1 0.870 122.2 57.7 -61.4 -36.6 10.9 14.2 -9.7 14 14 A Y H 4 S+ 0 0 145 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.883 104.0 49.7 -59.1 -43.7 11.8 17.9 -9.6 15 15 A Q H >4 S+ 0 0 59 1,-0.2 3,-2.0 2,-0.2 4,-0.2 0.867 102.8 62.1 -64.3 -36.5 9.2 18.7 -12.3 16 16 A L H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.820 90.1 68.0 -56.9 -29.1 6.6 16.8 -10.3 17 17 A E G >< S+ 0 0 76 -4,-1.0 3,-1.6 -3,-0.5 -1,-0.3 0.691 80.1 80.2 -65.4 -15.1 7.1 19.3 -7.5 18 18 A N G < S+ 0 0 112 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.757 92.5 50.1 -58.3 -22.6 5.5 21.8 -9.8 19 19 A Y G < S+ 0 0 35 -3,-1.9 28,-2.0 -4,-0.2 -1,-0.2 0.264 85.6 109.9-106.6 10.5 2.1 20.3 -8.8 20 20 A c B < B 46 0B 18 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.526 360.0 360.0 -75.6 152.9 2.6 20.5 -5.0 21 21 A N 0 0 97 24,-1.8 24,-0.1 80,-0.2 -1,-0.1 -0.176 360.0 360.0 -85.6 360.0 0.6 22.9 -2.9 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 0 185 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0-149.9 17.3 11.2 -9.9 24 2 B V - 0 0 95 -13,-0.1 -11,-0.7 2,-0.0 2,-0.4 -0.877 360.0-125.6-133.3 171.0 15.7 10.1 -13.2 25 3 B N E +A 12 0A 87 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.988 40.1 153.5-113.7 124.6 13.0 10.9 -15.8 26 4 B Q E -A 11 0A 110 -15,-1.3 -15,-1.5 -2,-0.4 2,-0.6 -0.833 49.9 -86.5-138.2 171.9 10.3 8.2 -16.6 27 5 B H - 0 0 124 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.795 43.1-174.2 -82.6 125.3 6.7 7.9 -17.9 28 6 B L + 0 0 11 -22,-3.3 2,-0.4 -2,-0.6 -20,-0.1 -0.973 10.0 170.8-125.4 116.9 4.3 8.3 -15.0 29 7 B b > - 0 0 49 -2,-0.5 3,-1.6 -22,-0.1 4,-0.4 -0.929 42.0 -26.8-131.0 146.9 0.6 7.7 -15.8 30 8 B G T >> S- 0 0 18 -2,-0.4 4,-2.0 1,-0.3 3,-0.5 -0.216 127.4 -0.0 60.8-136.0 -2.7 7.3 -13.9 31 9 B S H 3> S+ 0 0 29 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.814 133.5 59.1 -62.5 -28.4 -2.5 6.0 -10.4 32 10 B H H <> S+ 0 0 130 -3,-1.6 4,-1.8 2,-0.2 -1,-0.3 0.870 104.0 51.5 -65.5 -37.5 1.3 5.8 -10.8 33 11 B L H <> S+ 0 0 0 -3,-0.5 4,-2.5 -4,-0.4 -2,-0.2 0.926 111.6 45.4 -63.2 -45.5 1.5 9.5 -11.5 34 12 B V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.866 109.4 55.4 -71.4 -30.5 -0.6 10.3 -8.3 35 13 B E H X S+ 0 0 59 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.906 109.6 48.3 -62.3 -38.7 1.6 7.9 -6.3 36 14 B A H X S+ 0 0 16 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.910 109.6 51.2 -69.0 -41.4 4.6 9.9 -7.5 37 15 B L H X>S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.6 0.934 109.8 50.6 -57.4 -44.7 2.9 13.2 -6.6 38 16 B Y H X5S+ 0 0 62 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.933 112.4 47.2 -59.9 -45.2 2.2 11.8 -3.1 39 17 B L H <5S+ 0 0 137 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.939 118.8 39.3 -58.7 -48.5 5.9 10.7 -2.7 40 18 B V H <5S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.836 128.9 28.5 -73.5 -37.7 7.2 14.1 -3.9 41 19 B c H ><5S+ 0 0 5 -4,-3.0 3,-2.2 -5,-0.2 -3,-0.2 0.824 76.9 153.2 -96.0 -42.4 4.7 16.4 -2.2 42 20 B G G >< + 0 0 27 -2,-0.6 3,-1.5 49,-0.2 -47,-0.3 -0.715 9.5 173.4-132.3 77.9 -5.8 18.1 -12.6 50 28 B P T 3 S+ 0 0 22 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.770 78.5 64.2 -65.0 -23.9 -5.5 16.1 -15.8 51 29 B K T 3 0 0 166 45,-0.5 46,-0.1 1,-0.3 47,-0.0 0.686 360.0 360.0 -71.5 -23.7 -7.9 18.3 -17.8 52 30 B T < 0 0 114 -3,-1.5 -1,-0.3 0, 0.0 -4,-0.0 -0.578 360.0 360.0 138.4 360.0 -5.1 20.8 -17.1 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 61 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-169.4 -9.6 16.9 7.6 55 2 C I H > + 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.858 360.0 56.0 -58.3 -41.2 -10.4 14.1 5.2 56 3 C V H > S+ 0 0 17 46,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.936 114.8 38.4 -58.3 -47.5 -6.9 12.9 5.1 57 4 C E H > S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.908 114.6 54.1 -71.4 -43.0 -6.8 12.4 8.8 58 5 C Q H X S+ 0 0 58 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.918 106.2 51.0 -55.9 -46.7 -10.4 11.2 9.1 59 6 C d H < S+ 0 0 0 -4,-2.7 22,-2.0 1,-0.2 5,-0.2 0.813 119.0 39.0 -64.5 -30.1 -9.9 8.3 6.6 60 7 C e H < S+ 0 0 43 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.865 121.9 36.5 -89.0 -41.7 -6.9 7.2 8.4 61 8 C T H < S- 0 0 119 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.790 138.2 -3.4 -86.1 -30.1 -7.8 7.6 12.1 62 9 C S S < S- 0 0 61 -4,-2.2 2,-0.3 -5,-0.5 -3,-0.1 0.088 99.1 -72.5-122.7-117.9 -11.4 6.6 11.7 63 10 C I - 0 0 85 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.959 35.4-165.8-142.4 163.1 -13.3 5.8 8.5 64 11 C d B -E 79 0C 1 15,-2.2 15,-3.1 -2,-0.3 2,-0.2 -0.979 15.5-125.4-147.3 160.1 -14.6 7.6 5.5 65 12 C S > - 0 0 21 -2,-0.3 4,-1.9 13,-0.2 3,-0.3 -0.646 25.4-117.1-104.0 162.9 -17.0 7.0 2.6 66 13 C L H > S+ 0 0 37 11,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.800 117.2 59.3 -64.2 -26.2 -16.5 7.3 -1.2 67 14 C Y H 4 S+ 0 0 138 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.851 104.6 47.3 -73.0 -35.5 -19.1 10.0 -1.0 68 15 C Q H >4 S+ 0 0 74 -3,-0.3 3,-1.2 1,-0.2 -2,-0.2 0.889 111.2 53.0 -68.1 -41.4 -17.0 12.1 1.4 69 16 C L H >< S+ 0 0 0 -4,-1.9 3,-2.5 1,-0.2 -2,-0.2 0.884 96.7 66.6 -60.3 -34.8 -14.0 11.5 -0.9 70 17 C E G >< S+ 0 0 80 -4,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.726 85.7 71.7 -64.1 -21.3 -15.9 12.8 -3.9 71 18 C N G < S+ 0 0 118 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.648 92.3 58.1 -66.1 -17.6 -16.0 16.3 -2.3 72 19 C Y G < S+ 0 0 59 -3,-2.5 28,-2.0 -4,-0.2 -1,-0.3 0.389 81.6 108.4 -96.1 -0.3 -12.2 16.5 -3.1 73 20 C f B < D 99 0B 16 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.422 360.0 360.0 -69.5 153.3 -12.6 16.1 -6.8 74 21 C N 0 0 88 24,-1.9 -1,-0.1 -26,-0.2 -2,-0.1 -0.414 360.0 360.0 -75.4 360.0 -12.1 19.1 -9.1 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 0 187 0, 0.0 2,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 156.6 -20.3 1.2 -1.5 77 2 D V - 0 0 110 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.680 360.0 -94.2-103.5 156.5 -18.6 0.4 1.8 78 3 D N - 0 0 103 -2,-0.2 2,-0.3 -13,-0.1 -13,-0.2 -0.345 44.3-135.5 -66.3 157.0 -16.8 2.7 4.3 79 4 D Q B -E 64 0C 44 -15,-3.1 -15,-2.2 -2,-0.1 2,-0.5 -0.881 18.7-158.5-124.7 143.8 -13.1 3.0 4.0 80 5 D H + 0 0 128 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.951 32.9 170.9-121.7 108.1 -10.1 3.0 6.2 81 6 D L + 0 0 20 -22,-2.0 2,-0.3 -2,-0.5 -19,-0.1 -0.967 11.3 174.0-133.2 120.1 -7.3 4.7 4.2 82 7 D e > - 0 0 46 -2,-0.5 3,-1.8 -22,-0.1 4,-0.2 -0.882 52.8 -22.6-121.9 153.5 -3.9 5.8 5.2 83 8 D G T >> S- 0 0 32 -2,-0.3 3,-1.4 1,-0.3 4,-0.8 -0.151 128.8 -1.5 57.2-134.4 -0.9 7.2 3.4 84 9 D S H 3> S+ 0 0 32 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.713 123.5 72.8 -62.4 -23.6 -0.8 6.5 -0.3 85 10 D H H <> S+ 0 0 123 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.844 93.3 54.3 -65.5 -31.4 -4.0 4.4 -0.1 86 11 D L H <> S+ 0 0 1 -3,-1.4 4,-2.6 -4,-0.2 -1,-0.2 0.912 107.7 49.9 -62.5 -44.6 -6.0 7.6 0.3 87 12 D V H X S+ 0 0 0 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.879 108.7 52.6 -62.4 -38.5 -4.5 9.0 -2.9 88 13 D E H X S+ 0 0 47 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.900 110.5 48.1 -60.4 -43.4 -5.3 5.8 -4.7 89 14 D A H X S+ 0 0 12 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.910 110.3 50.5 -65.9 -44.0 -8.9 6.0 -3.6 90 15 D L H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.914 108.7 53.7 -58.5 -42.1 -9.2 9.7 -4.6 91 16 D Y H X S+ 0 0 58 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.925 112.6 42.9 -57.6 -44.7 -7.8 8.7 -8.0 92 17 D L H < S+ 0 0 133 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.898 116.8 47.1 -71.3 -41.2 -10.5 6.0 -8.5 93 18 D V H < S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 120.4 35.2 -67.2 -40.8 -13.3 8.2 -7.2 94 19 D f H >< S+ 0 0 5 -4,-2.7 3,-2.0 -5,-0.2 -2,-0.2 0.764 79.1 172.1 -92.8 -28.5 -12.5 11.3 -9.2 95 20 D G G >< S- 0 0 30 -4,-2.0 3,-1.8 -5,-0.3 -1,-0.2 -0.226 72.5 -3.9 57.1-133.3 -11.2 9.9 -12.5 96 21 D E G 3 S+ 0 0 144 1,-0.3 -45,-0.5 -46,-0.1 -1,-0.3 0.638 124.8 73.0 -70.2 -13.0 -10.6 12.5 -15.2 97 22 D R G < S- 0 0 106 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.787 91.8-154.3 -64.9 -29.6 -12.0 15.3 -12.9 98 23 D G < - 0 0 0 -3,-1.8 -24,-1.9 -7,-0.2 2,-0.3 -0.160 6.9-132.9 73.0-175.1 -8.8 15.0 -10.9 99 24 D F E -CD 48 73B 0 -51,-1.9 -51,-3.1 -26,-0.3 2,-0.4 -0.967 5.9-110.7-163.9 167.7 -8.6 16.0 -7.2 100 25 D F E -C 47 0B 68 -28,-2.0 2,-0.6 -2,-0.3 -53,-0.2 -0.970 18.4-153.8-117.2 134.2 -6.8 17.9 -4.5 101 26 D Y E +C 46 0B 12 -55,-2.9 -55,-2.1 -2,-0.4 -80,-0.2 -0.927 21.6 169.0-106.5 114.8 -4.9 16.2 -1.7 102 27 D T - 0 0 59 -2,-0.6 -46,-0.4 -57,-0.2 -47,-0.1 -0.732 7.7-176.9-134.7 83.0 -4.6 18.4 1.3 103 28 D P 0 0 26 0, 0.0 -48,-0.0 0, 0.0 -2,-0.0 -0.328 360.0 360.0 -71.7 159.0 -3.4 16.9 4.5 104 29 D K 0 0 200 -50,-0.1 -59,-0.1 -2,-0.0 0, 0.0 -0.467 360.0 360.0 -64.9 360.0 -3.2 18.7 7.8