==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 03-SEP-09 2WS4 . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.M.BRZOZOWSKI,J.JIRACEK,L.ZAKOVA,E.ANTOLIKOVA,C.J.WATSON, . 46 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 65.2 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 . 2 4.3 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 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 8.7 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 . 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 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 78 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-170.8 -3.2 -2.6 -5.9 2 2 A I H >> + 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.6 0.835 360.0 55.0 -66.6 -34.9 -5.4 -5.1 -7.7 3 3 A V H >>S+ 0 0 82 2,-0.2 5,-2.8 1,-0.2 4,-1.6 0.945 110.8 43.5 -67.9 -46.8 -3.2 -8.1 -6.8 4 4 A E H 4>S+ 0 0 108 3,-0.2 5,-2.0 1,-0.2 -1,-0.2 0.925 120.3 44.5 -59.7 -41.1 -3.3 -7.5 -3.1 5 5 A Q H <5S+ 0 0 68 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.870 131.0 16.0 -73.7 -34.1 -7.0 -6.8 -3.3 6 6 A a H <5S+ 0 0 0 -4,-2.7 21,-2.8 4,-0.2 5,-0.4 0.645 133.7 34.8-118.6 -26.1 -8.2 -9.7 -5.7 7 7 A b T < - 0 0 57 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.339 33.0-101.7 -84.3 170.5 -16.2 -8.7 -5.0 13 13 A L H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.922 124.6 52.4 -57.3 -42.0 -17.6 -8.0 -8.5 14 14 A Y H > S+ 0 0 167 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.879 110.2 47.3 -65.0 -41.0 -18.0 -4.3 -7.5 15 15 A Q H >4 S+ 0 0 55 2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.935 111.6 50.3 -64.7 -46.1 -14.4 -4.1 -6.4 16 16 A L H >< S+ 0 0 8 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.918 106.4 55.5 -58.6 -47.7 -13.2 -5.8 -9.6 17 17 A E H >< S+ 0 0 87 -4,-2.7 3,-1.2 1,-0.3 -1,-0.3 0.653 91.6 73.8 -57.7 -20.6 -15.3 -3.4 -11.7 18 18 A N T << S+ 0 0 84 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.717 93.7 54.3 -62.2 -22.5 -13.5 -0.4 -10.0 19 19 A Y T < S+ 0 0 33 -3,-1.8 27,-1.9 -4,-0.4 -1,-0.2 0.343 91.0 115.7 -96.6 4.5 -10.4 -1.3 -12.1 20 20 A c B < A 45 0A 28 -3,-1.2 25,-0.3 25,-0.2 24,-0.1 -0.385 360.0 360.0 -73.4 151.7 -12.2 -1.2 -15.4 21 21 A N 0 0 148 23,-1.9 23,-0.2 22,-0.3 24,-0.1 0.277 360.0 360.0 132.6 360.0 -12.0 1.0 -18.4 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 2 B V 0 0 181 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.1 -14.2 -23.0 -4.6 24 3 B N - 0 0 119 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.593 360.0-179.4 -71.7 113.3 -11.1 -20.8 -5.0 25 4 B Q + 0 0 130 -2,-0.6 -14,-0.4 2,-0.1 2,-0.2 0.386 46.9 105.7 -90.7 -3.7 -12.3 -17.2 -5.0 26 5 B H - 0 0 67 -16,-0.1 2,-0.5 -18,-0.1 -19,-0.2 -0.548 57.9-151.4 -78.5 148.0 -8.9 -15.6 -5.4 27 6 B L + 0 0 41 -21,-2.8 2,-0.3 -18,-0.4 -21,-0.1 -0.959 27.0 159.7-129.1 107.6 -8.1 -14.2 -8.9 28 7 B b >> - 0 0 49 -2,-0.5 3,-1.4 -21,-0.1 4,-0.6 -0.926 48.8 -22.8-128.6 148.4 -4.4 -14.2 -9.8 29 8 B G H >> S+ 0 0 54 -2,-0.3 4,-1.9 1,-0.3 3,-0.6 -0.181 129.8 1.3 65.2-135.3 -2.4 -14.0 -13.0 30 9 B S H 3> S+ 0 0 72 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.816 132.2 58.6 -59.3 -31.0 -4.2 -15.0 -16.1 31 10 B H H <> S+ 0 0 116 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.821 106.8 48.1 -70.6 -31.4 -7.5 -15.7 -14.1 32 11 B L H S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.921 111.5 49.3 -63.0 -43.5 -11.3 -8.3 -15.8 37 16 B Y H X5S+ 0 0 145 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.905 113.4 47.7 -63.7 -37.0 -11.9 -9.0 -19.5 38 17 B L H <5S+ 0 0 146 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.950 121.0 34.7 -67.9 -55.0 -15.2 -10.7 -18.6 39 18 B V H <5S+ 0 0 38 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.925 124.5 39.1 -70.9 -33.2 -16.5 -8.1 -16.4 40 19 B c H <5S+ 0 0 20 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.754 90.2 171.4 -88.5 -24.9 -15.2 -4.9 -18.0 41 20 B G ><< + 0 0 24 -4,-1.3 3,-1.1 -5,-0.5 -1,-0.2 -0.126 47.7 19.4 60.0-149.2 -15.8 -6.3 -21.5 42 21 B E T 3 S+ 0 0 151 1,-0.3 -21,-0.0 -4,-0.1 0, 0.0 -0.289 132.3 31.4 -40.1 131.4 -15.5 -4.2 -24.6 43 22 B R T 3 S- 0 0 206 -22,-0.1 -22,-0.3 2,-0.0 -1,-0.3 0.791 101.0-162.1 72.9 24.2 -13.3 -1.3 -23.7 44 23 B G < - 0 0 12 -3,-1.1 -23,-1.9 -23,-0.2 2,-0.2 0.682 16.8 -63.6 -1.7-132.6 -11.6 -3.6 -21.2 45 24 B F B -A 20 0A 70 -25,-0.3 -25,-0.2 -24,-0.1 -1,-0.1 -0.777 20.4-125.3-141.9 179.2 -9.5 -2.4 -18.3 46 25 B F 0 0 102 -27,-1.9 -25,-0.0 -2,-0.2 0, 0.0 -0.882 360.0 360.0-128.9 150.0 -6.6 -0.6 -16.7 47 26 B P 0 0 139 0, 0.0 -1,-0.2 0, 0.0 -45,-0.1 0.988 360.0 360.0 -55.3 360.0 -4.1 -2.2 -14.2