==== 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 4F51 . 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) . 5977.0 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 33 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-165.4 -0.6 -19.9 28.8 2 2 A I H >> + 0 0 2 47,-0.3 4,-2.9 1,-0.2 5,-0.5 0.831 360.0 53.5 -50.7 -39.5 0.8 -17.2 26.5 3 3 A V H >>S+ 0 0 31 1,-0.2 5,-2.9 2,-0.2 4,-1.9 0.929 112.9 42.6 -68.0 -43.4 -0.5 -14.3 28.7 4 4 A E H 4>S+ 0 0 85 -3,-0.3 5,-2.4 3,-0.2 -2,-0.2 0.929 119.4 44.4 -65.4 -42.8 1.2 -15.8 31.8 5 5 A Q H <5S+ 0 0 88 -4,-2.9 -2,-0.2 3,-0.2 -3,-0.2 0.907 130.1 19.4 -68.7 -40.4 4.4 -16.6 29.8 6 6 A a H <5S+ 0 0 0 -4,-2.9 22,-3.0 -5,-0.2 5,-0.5 0.671 132.7 29.3-112.4 -25.5 4.8 -13.3 27.8 7 7 A b T < -A 25 0A 17 -2,-0.3 4,-2.1 13,-0.2 13,-0.2 -0.434 34.2-106.5 -86.3 167.5 11.6 -14.3 24.1 13 13 A L H > S+ 0 0 64 11,-0.7 4,-1.0 1,-0.2 -1,-0.1 0.889 122.5 57.4 -59.5 -37.8 10.8 -14.3 20.4 14 14 A Y H >4 S+ 0 0 148 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.897 105.1 48.9 -59.1 -43.6 11.7 -18.0 20.4 15 15 A Q H >4 S+ 0 0 58 1,-0.2 3,-2.2 2,-0.2 4,-0.2 0.893 103.8 60.4 -66.1 -36.4 9.1 -18.7 23.0 16 16 A L H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.794 91.4 68.9 -58.1 -27.2 6.5 -16.8 21.1 17 17 A E G X< S+ 0 0 75 -4,-1.0 3,-1.5 -3,-0.7 -1,-0.3 0.675 80.0 79.4 -65.6 -15.8 7.1 -19.3 18.2 18 18 A N G < S+ 0 0 109 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.749 91.9 50.5 -57.7 -22.0 5.4 -21.8 20.5 19 19 A Y G < S+ 0 0 35 -3,-1.8 28,-2.0 -4,-0.2 -1,-0.2 0.260 85.2 110.8-107.3 10.0 2.1 -20.3 19.5 20 20 A c B < B 46 0B 18 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.510 360.0 360.0 -76.7 153.8 2.6 -20.5 15.8 21 21 A N 0 0 115 24,-2.2 -1,-0.1 80,-0.2 24,-0.1 -0.223 360.0 360.0 -82.8 360.0 0.6 -22.9 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 0 189 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0-144.3 17.3 -11.1 20.6 24 2 B V - 0 0 96 -13,-0.1 -11,-0.7 2,-0.0 2,-0.4 -0.781 360.0-125.0-126.0 173.6 15.6 -10.0 23.9 25 3 B N E +A 12 0A 88 -2,-0.2 2,-0.2 -13,-0.2 -13,-0.2 -0.997 41.1 153.3-112.7 124.2 13.0 -10.9 26.5 26 4 B Q E -A 11 0A 116 -15,-1.3 -15,-1.6 -2,-0.4 2,-0.5 -0.813 50.4 -87.1-133.9 172.5 10.3 -8.2 27.3 27 5 B H - 0 0 120 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.824 42.0-173.6 -81.7 129.2 6.6 -8.0 28.6 28 6 B L + 0 0 12 -22,-3.0 2,-0.3 -2,-0.5 -20,-0.1 -0.981 11.3 171.1-128.6 113.4 4.3 -8.3 25.6 29 7 B b > - 0 0 49 -2,-0.5 3,-1.5 -22,-0.1 4,-0.5 -0.916 41.9 -25.7-128.7 147.0 0.6 -7.7 26.5 30 8 B G T >> S+ 0 0 18 -2,-0.3 4,-1.9 1,-0.3 3,-0.8 -0.157 127.7 0.5 59.8-135.4 -2.7 -7.3 24.7 31 9 B S H 3> S+ 0 0 32 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.827 133.6 58.5 -61.1 -31.2 -2.5 -6.0 21.2 32 10 B H H <> S+ 0 0 130 -3,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.834 103.4 53.1 -64.0 -34.8 1.3 -5.8 21.5 33 11 B L H <> S+ 0 0 1 -3,-0.8 4,-2.6 -4,-0.5 -2,-0.2 0.928 111.3 44.3 -65.8 -45.8 1.4 -9.5 22.2 34 12 B V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.852 110.2 55.6 -72.8 -28.3 -0.6 -10.4 19.1 35 13 B E H X S+ 0 0 57 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.895 109.2 48.4 -65.3 -37.0 1.5 -7.9 17.0 36 14 B A H X S+ 0 0 16 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.927 109.7 51.0 -67.8 -44.0 4.5 -9.9 18.2 37 15 B L H X>S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.6 0.923 109.5 51.2 -55.9 -43.0 2.9 -13.2 17.3 38 16 B Y H X5S+ 0 0 63 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.944 112.0 47.3 -60.2 -45.3 2.1 -11.8 13.8 39 17 B L H <5S+ 0 0 140 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.926 118.7 39.3 -58.2 -49.2 5.8 -10.8 13.5 40 18 B V H <5S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.891 128.3 28.8 -71.8 -43.3 7.2 -14.1 14.7 41 19 B c H ><5S+ 0 0 4 -4,-3.0 3,-2.0 -5,-0.2 4,-0.2 0.816 77.1 154.7 -93.6 -41.6 4.7 -16.5 12.9 42 20 B G G >< + 0 0 30 -2,-0.6 3,-1.2 49,-0.2 -47,-0.3 -0.709 10.3 174.5-134.1 76.6 -5.7 -18.1 23.3 50 28 B P T 3 S+ 0 0 24 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.764 79.2 62.7 -63.2 -24.0 -5.6 -16.1 26.5 51 29 B K T 3 0 0 170 45,-0.4 46,-0.1 1,-0.3 47,-0.0 0.662 360.0 360.0 -72.1 -34.4 -7.9 -18.5 28.5 52 30 B T < 0 0 106 -3,-1.2 -1,-0.3 0, 0.0 -4,-0.0 -0.603 360.0 360.0 146.9 360.0 -5.1 -20.7 27.8 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,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-168.8 -9.5 -16.9 3.2 55 2 C I H > + 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.845 360.0 56.9 -61.6 -38.8 -10.3 -14.1 5.6 56 3 C V H > S+ 0 0 16 46,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.945 115.3 37.4 -61.1 -47.2 -6.8 -12.8 5.7 57 4 C E H > S+ 0 0 48 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.909 114.7 54.2 -71.4 -44.7 -6.8 -12.4 1.9 58 5 C Q H X S+ 0 0 62 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.908 106.5 51.2 -55.2 -46.3 -10.4 -11.2 1.7 59 6 C d H < S+ 0 0 0 -4,-2.7 22,-1.8 1,-0.2 -1,-0.2 0.814 118.6 39.0 -63.3 -30.8 -9.9 -8.3 4.2 60 7 C e H < S+ 0 0 43 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.895 122.2 36.0 -90.2 -43.5 -6.9 -7.1 2.3 61 8 C T H < S- 0 0 119 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.783 138.5 -1.4 -82.7 -29.6 -7.8 -7.5 -1.4 62 9 C S S < S- 0 0 58 -4,-2.0 2,-0.3 -5,-0.5 -3,-0.1 0.059 98.8 -76.2-124.0-121.0 -11.4 -6.6 -0.9 63 10 C I - 0 0 86 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.946 35.2-166.6-142.0 166.4 -13.3 -5.7 2.3 64 11 C d B -E 79 0C 1 15,-2.1 15,-3.3 -2,-0.3 2,-0.2 -0.976 16.5-122.5-151.4 160.3 -14.6 -7.6 5.2 65 12 C S > - 0 0 21 -2,-0.3 4,-2.1 13,-0.2 3,-0.2 -0.644 24.8-117.5-104.4 159.9 -17.0 -7.1 8.2 66 13 C L H > S+ 0 0 37 11,-0.3 4,-2.0 1,-0.2 5,-0.1 0.794 117.5 59.9 -61.5 -30.0 -16.4 -7.3 11.9 67 14 C Y H 4 S+ 0 0 138 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.876 105.0 46.3 -68.2 -37.6 -19.1 -10.1 11.8 68 15 C Q H >4 S+ 0 0 74 -3,-0.2 3,-1.2 1,-0.2 -2,-0.2 0.908 111.5 52.6 -67.3 -42.9 -17.0 -12.1 9.4 69 16 C L H >< S+ 0 0 0 -4,-2.1 3,-2.8 1,-0.3 4,-0.3 0.889 97.8 66.4 -58.8 -36.3 -13.9 -11.5 11.6 70 17 C E G >< S+ 0 0 80 -4,-2.0 3,-1.4 1,-0.3 -1,-0.3 0.755 86.1 70.8 -61.6 -23.9 -15.9 -12.8 14.6 71 18 C N G < S+ 0 0 118 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.654 92.5 58.5 -64.0 -16.8 -16.0 -16.2 13.0 72 19 C Y G < S+ 0 0 56 -3,-2.8 28,-2.0 -4,-0.2 -1,-0.2 0.420 81.1 108.5 -97.8 -2.1 -12.2 -16.5 13.8 73 20 C f B < D 99 0B 16 -3,-1.4 26,-0.3 -4,-0.3 25,-0.1 -0.397 360.0 360.0 -66.5 156.0 -12.6 -16.0 17.5 74 21 C N 0 0 109 24,-2.0 -1,-0.1 -26,-0.2 -2,-0.1 -0.376 360.0 360.0 -78.1 360.0 -12.0 -19.1 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 0 189 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 157.5 -20.3 -1.2 12.2 77 2 D V - 0 0 109 1,-0.1 -11,-0.3 -13,-0.0 2,-0.1 -0.735 360.0 -93.0-105.4 157.5 -18.6 -0.5 8.9 78 3 D N - 0 0 104 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.353 43.8-136.1 -68.3 157.1 -16.8 -2.7 6.5 79 4 D Q B -E 64 0C 42 -15,-3.3 -15,-2.1 -2,-0.1 2,-0.5 -0.857 18.5-160.0-125.7 141.1 -13.1 -3.0 6.8 80 5 D H + 0 0 125 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.957 33.2 169.5-120.3 108.6 -10.1 -3.0 4.5 81 6 D L + 0 0 21 -22,-1.8 2,-0.3 -2,-0.5 -19,-0.1 -0.975 11.2 174.5-135.1 121.1 -7.3 -4.6 6.6 82 7 D e > - 0 0 47 -2,-0.5 3,-1.8 -22,-0.1 4,-0.2 -0.872 52.2 -20.6-123.9 154.8 -3.9 -5.8 5.6 83 8 D G T >> S- 0 0 31 -2,-0.3 3,-1.6 1,-0.3 4,-0.9 -0.137 129.0 -2.4 57.7-136.1 -1.0 -7.2 7.4 84 9 D S H 3> S+ 0 0 31 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.723 124.0 72.1 -61.9 -23.0 -0.8 -6.5 11.1 85 10 D H H <> S+ 0 0 124 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.815 93.9 55.3 -63.7 -30.3 -4.0 -4.4 10.9 86 11 D L H <> S+ 0 0 1 -3,-1.6 4,-2.8 -4,-0.2 -1,-0.2 0.929 107.0 49.1 -65.7 -44.5 -6.0 -7.6 10.5 87 12 D V H X S+ 0 0 0 -4,-0.9 4,-2.2 1,-0.2 -2,-0.2 0.878 109.4 52.4 -60.8 -40.3 -4.5 -9.0 13.7 88 13 D E H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.901 110.5 48.7 -58.4 -45.7 -5.4 -5.8 15.6 89 14 D A H X S+ 0 0 10 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.929 110.6 49.3 -64.4 -47.1 -8.9 -6.0 14.3 90 15 D L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.895 109.5 53.5 -57.0 -42.7 -9.2 -9.7 15.4 91 16 D Y H X S+ 0 0 57 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.936 112.6 43.2 -55.6 -47.1 -7.8 -8.8 18.8 92 17 D L H < S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.933 116.9 46.6 -67.7 -44.1 -10.5 -6.1 19.3 93 18 D V H < S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 119.9 36.9 -66.9 -39.8 -13.3 -8.2 18.0 94 19 D f H >< S+ 0 0 3 -4,-2.5 3,-2.0 -5,-0.2 4,-0.2 0.734 78.7 172.5 -93.5 -24.8 -12.5 -11.4 19.9 95 20 D G G >< S- 0 0 31 -4,-2.1 3,-1.7 -5,-0.3 -1,-0.2 -0.206 71.6 -3.8 54.3-134.1 -11.3 -10.0 23.3 96 21 D E G 3 S+ 0 0 152 1,-0.3 -45,-0.4 -46,-0.1 -1,-0.3 0.653 125.7 71.2 -68.8 -14.4 -10.7 -12.6 25.9 97 22 D R G < S- 0 0 105 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.806 91.6-155.7 -67.0 -27.0 -12.0 -15.4 23.6 98 23 D G < - 0 0 0 -3,-1.7 -24,-2.0 -4,-0.2 2,-0.3 -0.194 6.0-131.5 68.9-172.9 -8.8 -15.0 21.6 99 24 D F E -CD 48 73B 0 -51,-1.7 -51,-2.9 -26,-0.3 2,-0.4 -0.975 6.1-109.3-164.2 166.8 -8.7 -16.0 17.9 100 25 D F E -C 47 0B 69 -28,-2.0 2,-0.7 -2,-0.3 -53,-0.2 -0.960 18.8-153.7-117.6 137.8 -6.8 -17.9 15.3 101 26 D Y E +C 46 0B 11 -55,-2.9 -55,-2.0 -2,-0.4 -80,-0.2 -0.911 21.6 168.7-109.1 113.4 -4.9 -16.2 12.5 102 27 D T - 0 0 58 -2,-0.7 -46,-0.4 -57,-0.2 -47,-0.2 -0.736 8.5-175.5-134.5 86.6 -4.6 -18.4 9.4 103 28 D P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.280 37.3 -92.2 -69.9 159.3 -3.3 -16.8 6.2 104 29 D K 0 0 141 -50,-0.1 -59,-0.1 -59,-0.0 0, 0.0 -0.541 360.0 360.0 -66.5 145.0 -3.2 -18.7 2.9 105 30 D T 0 0 141 -2,-0.2 0, 0.0 -3,-0.1 0, 0.0 0.245 360.0 360.0 46.3 360.0 0.0 -20.5 2.1