==== 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 4F1D . 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) . 5916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 69.3 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 . 5 5.0 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 . 30 29.7 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 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 33 0, 0.0 4,-2.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-160.1 17.6 9.5 28.7 2 2 A I H > + 0 0 1 47,-0.4 4,-3.0 1,-0.2 5,-0.5 0.831 360.0 53.3 -53.4 -38.5 14.5 9.3 26.4 3 3 A V H >>S+ 0 0 33 46,-0.2 5,-2.6 47,-0.2 4,-2.1 0.934 112.9 42.0 -66.9 -42.7 12.7 6.8 28.8 4 4 A E H 4>S+ 0 0 83 -3,-0.3 5,-2.3 3,-0.2 -2,-0.2 0.919 119.3 45.2 -69.4 -40.4 13.0 9.0 31.8 5 5 A Q H <5S+ 0 0 91 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.924 130.1 19.2 -68.6 -41.2 12.2 12.2 29.8 6 6 A a H <5S+ 0 0 0 -4,-3.0 22,-3.5 -5,-0.2 5,-0.5 0.654 132.5 28.8-110.9 -23.9 9.2 10.8 27.9 7 7 A b T <5S+ 0 0 27 -4,-2.1 -3,-0.2 -5,-0.5 -4,-0.1 0.816 127.4 34.2-101.0 -55.6 7.8 7.7 29.5 8 8 A T T -A 25 0A 20 -2,-0.3 4,-2.1 13,-0.2 13,-0.2 -0.439 34.0-107.5 -84.1 164.3 6.6 17.4 24.1 13 13 A L H > S+ 0 0 61 11,-0.8 4,-0.9 1,-0.2 -1,-0.1 0.879 122.3 57.4 -59.3 -37.2 7.0 16.5 20.4 14 14 A Y H >4 S+ 0 0 150 2,-0.2 3,-0.6 1,-0.2 4,-0.3 0.876 104.5 49.3 -59.3 -42.6 9.7 19.1 20.3 15 15 A Q H >4 S+ 0 0 56 1,-0.2 3,-2.3 2,-0.2 4,-0.2 0.888 104.1 61.0 -64.8 -38.7 11.7 17.3 23.1 16 16 A L H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.787 90.4 67.8 -55.7 -26.8 11.3 14.1 21.1 17 17 A E G X< S+ 0 0 76 -4,-0.9 3,-1.7 -3,-0.6 -1,-0.3 0.675 80.8 80.5 -66.9 -14.6 13.2 15.8 18.2 18 18 A N G < S+ 0 0 111 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.760 91.8 50.2 -59.0 -21.0 16.2 15.6 20.6 19 19 A Y G < S+ 0 0 35 -3,-1.6 28,-2.0 -4,-0.2 -1,-0.2 0.253 86.1 108.3-104.8 9.0 16.6 12.0 19.5 20 20 A c B < B 46 0B 18 -3,-1.7 26,-0.3 26,-0.2 25,-0.1 -0.526 360.0 360.0 -76.6 158.8 16.4 12.4 15.8 21 21 A N 0 0 97 24,-2.2 24,-0.1 80,-0.2 -1,-0.1 -0.197 360.0 360.0 -84.6 360.0 19.5 12.0 13.7 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 0 188 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0-147.7 1.2 20.7 20.7 24 2 B V - 0 0 93 -13,-0.1 -11,-0.8 2,-0.0 2,-0.4 -0.785 360.0-127.3-125.9 173.4 0.9 18.7 23.9 25 3 B N E +A 12 0A 85 -2,-0.2 2,-0.2 -13,-0.2 -13,-0.2 -0.999 38.8 154.3-116.4 126.1 3.0 16.7 26.5 26 4 B Q E -A 11 0A 119 -15,-1.1 -15,-1.5 -2,-0.4 2,-0.6 -0.767 51.2 -85.1-132.9 173.9 1.9 13.0 27.4 27 5 B H - 0 0 122 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.828 43.1-172.1 -83.8 127.1 3.6 9.8 28.7 28 6 B L + 0 0 12 -22,-3.5 2,-0.3 -2,-0.6 -20,-0.1 -0.975 13.2 168.7-122.6 112.1 5.1 7.9 25.7 29 7 B b > - 0 0 48 -2,-0.5 3,-1.5 -22,-0.1 4,-0.4 -0.944 41.8 -23.3-129.7 147.5 6.4 4.4 26.5 30 8 B G T >> S- 0 0 19 -2,-0.3 4,-1.9 1,-0.3 3,-0.7 -0.162 127.7 -1.9 64.5-138.6 7.6 1.3 24.7 31 9 B S H 3> S+ 0 0 28 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.825 133.3 60.5 -60.8 -27.6 6.5 0.8 21.2 32 10 B H H <> S+ 0 0 133 -3,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.845 102.4 52.9 -66.1 -35.0 4.4 4.0 21.5 33 11 B L H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 -2,-0.2 0.932 111.5 44.7 -64.5 -46.3 7.6 6.0 22.2 34 12 B V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.867 109.5 55.2 -73.4 -30.5 9.3 4.7 19.1 35 13 B E H X S+ 0 0 55 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.898 109.8 48.7 -62.9 -36.1 6.1 5.3 17.0 36 14 B A H X S+ 0 0 16 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.927 109.7 50.4 -67.6 -41.6 6.3 8.9 18.2 37 15 B L H X>S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.6 0.918 109.8 51.6 -60.0 -44.3 10.0 9.2 17.3 38 16 B Y H X5S+ 0 0 62 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.936 112.2 47.2 -58.4 -45.5 9.2 7.8 13.8 39 17 B L H <5S+ 0 0 135 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.950 118.6 38.6 -59.1 -48.2 6.5 10.4 13.5 40 18 B V H <5S+ 0 0 25 -4,-2.9 -2,-0.2 1,-0.1 -1,-0.2 0.885 127.9 30.7 -73.2 -41.0 8.6 13.3 14.6 41 19 B c H ><5S+ 0 0 5 -4,-3.1 3,-2.2 -5,-0.2 4,-0.2 0.805 77.4 154.9 -90.7 -42.5 12.0 12.4 12.9 42 20 B G G >< + 0 0 33 -2,-0.9 3,-1.7 49,-0.2 -47,-0.4 -0.791 10.9 174.0-119.2 87.8 18.6 4.1 23.4 50 28 B P T 3 S+ 0 0 20 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.866 80.8 63.3 -58.7 -38.6 16.6 3.2 26.5 51 29 B K T 3 0 0 161 45,-0.5 46,-0.1 1,-0.2 -2,-0.0 0.637 360.0 360.0 -62.0 -13.0 19.8 2.5 28.4 52 30 B T < 0 0 122 -3,-1.7 -1,-0.2 0, 0.0 -50,-0.1 -0.785 360.0 360.0 92.1 360.0 20.6 6.2 27.9 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 63 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-168.7 19.4 0.2 3.1 55 2 C I H > + 0 0 9 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.848 360.0 57.2 -57.7 -39.9 17.4 -1.9 5.6 56 3 C V H > S+ 0 0 17 46,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.935 116.0 36.3 -57.9 -47.6 14.5 0.6 5.7 57 4 C E H > S+ 0 0 51 2,-0.2 4,-3.2 1,-0.2 5,-0.5 0.903 114.2 55.7 -74.6 -41.3 14.1 0.3 2.0 58 5 C Q H X S+ 0 0 63 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.929 106.3 50.4 -56.0 -46.0 14.9 -3.4 1.6 59 6 C d H < S+ 0 0 0 -4,-2.6 22,-2.0 1,-0.2 -1,-0.2 0.802 118.8 39.9 -67.5 -26.9 12.2 -4.5 4.2 60 7 C e H < S+ 0 0 44 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.900 121.8 35.4 -90.1 -43.2 9.6 -2.4 2.3 61 8 C T H < S- 0 0 119 -4,-3.2 -3,-0.2 20,-0.1 -2,-0.2 0.773 138.8 -2.7 -82.8 -29.1 10.4 -3.0 -1.4 62 9 C S S < S- 0 0 61 -4,-2.1 2,-0.3 -5,-0.5 -3,-0.1 0.059 98.9 -72.2-124.5-119.4 11.4 -6.6 -1.0 63 10 C I - 0 0 88 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.945 35.1-167.3-141.9 162.8 11.7 -8.7 2.3 64 11 C d B -E 79 0C 1 15,-2.1 15,-3.1 -2,-0.3 2,-0.2 -0.978 16.5-123.4-147.1 158.9 13.9 -8.9 5.2 65 12 C S > - 0 0 20 -2,-0.3 4,-2.2 13,-0.2 3,-0.2 -0.662 24.3-118.2-101.1 162.4 14.6 -11.2 8.1 66 13 C L H > S+ 0 0 37 11,-0.4 4,-1.8 -2,-0.2 -1,-0.1 0.815 117.6 58.0 -61.3 -31.3 14.6 -10.7 11.9 67 14 C Y H 4 S+ 0 0 140 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.864 105.9 47.3 -70.5 -36.1 18.3 -11.6 11.8 68 15 C Q H >4 S+ 0 0 77 1,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.911 111.1 52.2 -68.5 -41.4 19.0 -8.7 9.4 69 16 C L H >< S+ 0 0 0 -4,-2.2 3,-2.5 1,-0.3 4,-0.2 0.884 98.1 66.8 -60.6 -35.3 16.9 -6.4 11.6 70 17 C E G >< S+ 0 0 84 -4,-1.8 3,-1.4 1,-0.3 -1,-0.3 0.742 85.2 71.3 -62.4 -22.4 19.0 -7.4 14.6 71 18 C N G < S+ 0 0 121 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.619 92.0 58.9 -65.5 -17.3 22.1 -5.8 13.1 72 19 C Y G < S+ 0 0 58 -3,-2.5 28,-1.9 -4,-0.2 -1,-0.2 0.428 80.5 107.9 -97.1 -0.0 20.4 -2.4 13.8 73 20 C f B < D 99 0B 16 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.428 360.0 360.0 -64.3 151.3 20.2 -2.9 17.6 74 21 C N 0 0 88 24,-1.8 -1,-0.1 -26,-0.2 -2,-0.1 -0.415 360.0 360.0 -74.9 360.0 22.6 -0.9 19.7 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 0 188 0, 0.0 2,-0.3 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 154.1 11.2 -17.0 12.2 77 2 D V - 0 0 108 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.708 360.0 -94.2-107.7 157.0 9.7 -15.9 8.9 78 3 D N - 0 0 103 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.329 44.0-135.9 -70.4 157.9 10.7 -13.3 6.5 79 4 D Q B -E 64 0C 44 -15,-3.1 -15,-2.1 2,-0.1 2,-0.5 -0.877 19.1-158.7-125.1 145.9 9.1 -9.9 6.8 80 5 D H + 0 0 128 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.944 33.1 170.5-123.8 106.3 7.6 -7.3 4.5 81 6 D L + 0 0 21 -22,-2.0 2,-0.3 -2,-0.5 -19,-0.1 -0.956 10.5 173.4-132.2 122.5 7.7 -4.1 6.5 82 7 D e > - 0 0 48 -2,-0.5 3,-1.9 -22,-0.1 4,-0.2 -0.870 51.8 -19.5-124.4 157.9 7.0 -0.5 5.6 83 8 D G T >> S- 0 0 31 -2,-0.3 3,-1.4 1,-0.3 4,-0.8 -0.161 128.9 -3.9 56.7-134.1 6.7 2.7 7.4 84 9 D S H 3> S+ 0 0 31 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.718 123.4 73.9 -64.6 -21.5 6.1 2.6 11.1 85 10 D H H <> S+ 0 0 120 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.836 92.9 55.9 -64.5 -28.3 5.8 -1.3 10.9 86 11 D L H <> S+ 0 0 1 -3,-1.4 4,-2.5 -4,-0.2 -1,-0.2 0.921 106.6 48.7 -65.9 -43.9 9.6 -1.4 10.5 87 12 D V H X S+ 0 0 0 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.891 109.2 52.8 -63.6 -37.4 10.0 0.6 13.7 88 13 D E H X S+ 0 0 47 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.902 110.8 48.2 -61.3 -43.2 7.6 -1.8 15.6 89 14 D A H X S+ 0 0 11 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.909 110.7 49.4 -67.6 -44.3 9.7 -4.7 14.4 90 15 D L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.905 108.8 54.7 -57.5 -41.9 13.0 -3.2 15.4 91 16 D Y H X S+ 0 0 58 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.924 112.3 42.0 -54.1 -47.8 11.4 -2.4 18.8 92 17 D L H < S+ 0 0 134 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.909 116.3 49.1 -69.9 -42.8 10.5 -6.1 19.3 93 18 D V H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 117.6 37.4 -64.4 -43.0 13.7 -7.4 18.0 94 19 D f H >< S+ 0 0 3 -4,-2.6 3,-2.1 -5,-0.2 4,-0.2 0.709 78.7 176.6 -91.4 -22.9 16.1 -5.2 20.0 95 20 D G G >< S- 0 0 34 -4,-1.8 3,-1.6 -5,-0.3 -1,-0.2 -0.228 71.5 -7.7 58.6-138.3 14.4 -4.9 23.4 96 21 D E G 3 S+ 0 0 153 1,-0.3 -45,-0.5 -46,-0.1 -1,-0.3 0.629 125.6 74.0 -71.8 -10.1 16.3 -3.0 26.0 97 22 D R G < S- 0 0 109 -3,-2.1 -1,-0.3 1,-0.1 -23,-0.2 0.787 90.0-155.8 -68.6 -26.9 19.3 -2.7 23.7 98 23 D G < - 0 0 0 -3,-1.6 -24,-1.8 -4,-0.2 2,-0.3 -0.142 5.9-133.8 73.1-173.1 17.4 -0.1 21.6 99 24 D F E -CD 48 73B 1 -51,-1.5 -51,-2.7 -26,-0.3 2,-0.4 -0.972 6.2-108.9-163.9 171.1 18.2 0.5 17.9 100 25 D F E -C 47 0B 71 -28,-1.9 2,-0.6 -2,-0.3 -53,-0.2 -0.967 17.7-153.7-120.0 140.3 18.8 3.0 15.3 101 26 D Y E +C 46 0B 12 -55,-2.9 -55,-1.9 -2,-0.4 -80,-0.2 -0.917 21.4 168.6-111.8 115.8 16.4 3.9 12.5 102 27 D T - 0 0 55 -2,-0.6 -46,-0.4 -57,-0.2 -47,-0.2 -0.756 7.3-178.0-136.4 86.5 18.2 5.2 9.4 103 28 D P 0 0 27 0, 0.0 -48,-0.0 0, 0.0 -2,-0.0 -0.279 360.0 360.0 -70.5 158.5 16.3 5.5 6.2 104 29 D K 0 0 198 -50,-0.1 -59,-0.1 -2,-0.0 -60,-0.0 -0.641 360.0 360.0 -58.8 360.0 17.8 6.8 2.8