==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 03-SEP-09 2WS0 . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.M.BRZOZOWSKI,J.JIRACEK,L.ZAKOVA,E.ANTOLIKOVA,C.J.WATSON, . 48 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 62.5 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 . 0 0.0 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 . 1 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 8.3 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 0 2 0 0 0 0 0 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 70 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-164.9 16.7 -4.5 15.5 2 2 A I H >> + 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.5 0.809 360.0 55.4 -59.6 -33.5 14.8 -5.5 12.4 3 3 A V H >>S+ 0 0 87 2,-0.2 5,-2.6 1,-0.2 4,-1.8 0.942 111.3 42.6 -70.2 -46.4 13.0 -2.2 12.1 4 4 A E H 4>S+ 0 0 122 3,-0.2 5,-1.3 1,-0.2 -1,-0.2 0.905 122.4 40.4 -60.8 -43.3 16.1 -0.1 12.1 5 5 A Q H <5S+ 0 0 67 -4,-2.0 -2,-0.2 3,-0.1 -1,-0.2 0.791 130.5 22.1 -77.1 -31.6 17.8 -2.5 9.7 6 6 A a H <5S+ 0 0 0 -4,-2.6 22,-2.4 -5,-0.2 5,-0.4 0.641 131.3 30.4-117.8 -23.2 15.0 -3.3 7.3 7 7 A b T < - 0 0 58 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.354 30.6-104.2 -83.1 173.7 19.8 -7.6 2.5 13 13 A L H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.914 122.2 52.6 -55.6 -46.9 18.5 -11.1 2.3 14 14 A Y H > S+ 0 0 184 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.935 110.7 46.1 -65.3 -40.4 21.2 -12.3 4.5 15 15 A Q H >4 S+ 0 0 61 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.923 111.3 52.0 -63.7 -48.8 20.4 -9.7 7.2 16 16 A L H >< S+ 0 0 7 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.875 103.8 60.9 -49.8 -44.7 16.7 -10.3 7.0 17 17 A E H >< S+ 0 0 84 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.712 89.3 65.2 -64.0 -27.8 17.4 -14.0 7.5 18 18 A N T << S+ 0 0 106 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.443 96.2 62.2 -76.0 10.1 19.0 -13.7 10.8 19 19 A Y T < S+ 0 0 60 -3,-1.7 28,-0.4 -4,-0.1 -1,-0.2 0.397 83.3 100.1-107.7 1.0 15.6 -12.5 12.0 20 20 A c < 0 0 28 -3,-1.5 26,-0.3 1,-0.2 25,-0.1 -0.527 360.0 360.0 -77.8 150.8 14.0 -15.9 11.1 21 21 A N 0 0 148 24,-2.6 -1,-0.2 -2,-0.2 25,-0.2 0.858 360.0 360.0 46.9 360.0 13.3 -18.4 13.9 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 0 227 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-121.5 11.5 3.8 -8.8 24 2 B V - 0 0 113 2,-0.0 2,-0.5 1,-0.0 0, 0.0 -0.777 360.0-104.4-106.4 156.5 10.3 1.2 -6.2 25 3 B N - 0 0 120 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.666 26.6-170.2 -80.5 123.7 10.4 1.4 -2.4 26 4 B Q + 0 0 107 -2,-0.5 -15,-0.3 2,-0.1 2,-0.3 0.294 53.8 104.2 -98.8 8.3 13.1 -0.9 -0.9 27 5 B H - 0 0 68 -17,-0.1 2,-0.6 -19,-0.0 -20,-0.2 -0.645 59.6-150.8 -86.3 146.9 12.1 -0.5 2.7 28 6 B L + 0 0 48 -22,-2.4 2,-0.4 -19,-0.4 -20,-0.1 -0.888 28.2 171.1-119.9 94.6 10.2 -3.4 4.3 29 7 B b >> - 0 0 44 -2,-0.6 3,-1.9 -22,-0.1 4,-0.6 -0.847 44.9 -41.6-111.4 146.4 8.0 -1.9 6.9 30 8 B G H 3> S+ 0 0 53 -2,-0.4 4,-1.5 1,-0.3 3,-0.4 -0.152 130.3 13.0 56.6-118.7 5.2 -3.3 9.1 31 9 B S H 3> S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.801 130.3 53.0 -66.2 -31.7 3.0 -5.6 7.1 32 10 B H H <> S+ 0 0 131 -3,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.776 106.1 55.8 -67.7 -26.4 5.4 -5.8 4.2 33 11 B L H X S+ 0 0 14 -4,-0.6 4,-1.9 -3,-0.4 -2,-0.2 0.894 105.5 51.3 -70.1 -37.3 8.1 -6.8 6.6 34 12 B V H X S+ 0 0 52 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.915 110.6 48.4 -64.9 -44.1 5.8 -9.7 7.8 35 13 B E H X S+ 0 0 108 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.891 108.0 53.6 -63.6 -38.4 5.4 -10.9 4.3 36 14 B A H X S+ 0 0 11 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.893 111.7 46.8 -67.4 -37.4 9.1 -10.7 3.5 37 15 B L H X>S+ 0 0 9 -4,-1.9 4,-3.1 2,-0.2 5,-0.5 0.950 107.4 54.6 -67.4 -53.7 9.7 -12.9 6.5 38 16 B Y H X5S+ 0 0 132 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.876 114.3 45.2 -33.0 -48.7 6.9 -15.4 5.6 39 17 B L H <5S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 120.9 33.5 -73.7 -42.4 8.7 -15.7 2.2 40 18 B V H <5S+ 0 0 38 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.699 115.9 52.9 -94.6 -21.6 12.3 -16.0 3.3 41 19 B c H ><5S+ 0 0 16 -4,-3.1 3,-1.1 -5,-0.2 -3,-0.2 0.859 77.4 162.0 -87.9 -32.9 11.9 -17.9 6.6 42 20 B G G ><< + 0 0 52 -4,-1.0 3,-1.1 -5,-0.5 -1,-0.2 -0.296 61.3 6.4 58.6-122.4 9.8 -20.7 5.2 43 21 B E G 3 S+ 0 0 205 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.852 125.9 55.5 -70.1 -35.6 9.6 -23.9 7.2 44 22 B R G < S- 0 0 204 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.483 96.6-152.2 -86.5 -1.1 11.4 -22.8 10.4 45 23 B G < - 0 0 23 -3,-1.1 -24,-2.6 -7,-0.1 2,-0.3 0.144 3.3-113.4 70.1-175.0 9.1 -19.8 10.9 46 24 B F > - 0 0 16 -26,-0.3 3,-1.0 -25,-0.2 2,-0.3 -0.996 33.1 -64.3-160.3 151.6 9.5 -16.4 12.6 47 25 B F T 3 S+ 0 0 176 -28,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.673 109.8 2.1 -79.3 134.2 8.5 -14.1 15.5 48 26 B X T 3 0 0 90 -2,-0.3 -1,-0.3 0, 0.0 -14,-0.0 -0.826 360.0 360.0-110.7 39.0 5.7 -13.1 15.8 49 27 B T < 0 0 101 -3,-1.0 -2,-0.1 -15,-0.1 -11,-0.0 0.148 360.0 360.0 16.8 360.0 3.9 -14.9 12.9