==== 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 02-SEP-09 2WRW . 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) . 3624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 56.5 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 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 6.5 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 1 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 . 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 69 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-171.5 -3.4 15.6 15.5 2 2 A I H >> + 0 0 40 2,-0.2 4,-2.1 1,-0.2 5,-0.5 0.818 360.0 54.7 -62.8 -32.5 -5.1 14.3 12.4 3 3 A V H >>S+ 0 0 87 2,-0.2 5,-2.5 3,-0.2 4,-1.6 0.941 111.0 43.0 -69.3 -45.6 -7.0 17.6 12.1 4 4 A E H 4>S+ 0 0 136 3,-0.2 5,-1.4 1,-0.2 -2,-0.2 0.926 121.1 42.1 -64.5 -40.5 -3.8 19.7 12.1 5 5 A Q H <5S+ 0 0 72 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.803 130.1 20.2 -74.6 -34.5 -2.0 17.3 9.8 6 6 A a H <5S+ 0 0 0 -4,-2.1 21,-2.6 -5,-0.2 5,-0.4 0.651 131.9 31.9-115.1 -26.1 -4.8 16.6 7.2 7 7 A b T < - 0 0 57 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.449 29.3-105.5 -91.5 169.2 -0.1 12.1 2.5 13 13 A L H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 123.4 53.4 -53.2 -45.2 -1.5 8.6 2.1 14 14 A Y H > S+ 0 0 171 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.939 111.1 46.0 -61.6 -44.4 1.3 7.4 4.4 15 15 A Q H 4 S+ 0 0 56 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 114.2 46.7 -63.9 -44.2 0.4 10.0 7.1 16 16 A L H >< S+ 0 0 9 -4,-2.5 3,-2.4 1,-0.2 4,-0.2 0.929 107.1 56.4 -66.9 -44.6 -3.3 9.3 6.9 17 17 A E H >< S+ 0 0 57 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.775 96.5 66.4 -60.5 -27.8 -2.9 5.5 7.0 18 18 A N T 3< S+ 0 0 109 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.397 93.8 59.7 -71.2 2.8 -1.0 6.0 10.3 19 19 A Y T < S+ 0 0 73 -3,-2.4 27,-0.4 -17,-0.0 -1,-0.2 0.428 83.9 110.2-103.5 -2.7 -4.2 7.2 11.8 20 20 A c < 0 0 12 -3,-1.5 25,-0.2 -4,-0.2 24,-0.0 -0.338 360.0 360.0 -71.5 153.6 -5.9 3.9 11.0 21 21 A N 0 0 159 23,-1.6 -1,-0.2 -2,-0.0 24,-0.2 0.906 360.0 360.0 47.8 360.0 -6.8 1.5 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 2 B V 0 0 193 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.4 -9.3 21.6 -6.0 24 3 B N - 0 0 119 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.691 360.0-179.1 -86.3 122.3 -9.2 21.2 -2.2 25 4 B Q + 0 0 132 -2,-0.5 -14,-0.4 -18,-0.1 2,-0.2 0.368 55.0 103.5 -98.8 3.1 -6.4 19.1 -0.9 26 5 B H - 0 0 66 -16,-0.1 2,-0.5 -18,-0.1 -19,-0.2 -0.563 60.0-153.4 -81.5 146.8 -7.6 19.6 2.6 27 6 B L + 0 0 51 -21,-2.6 2,-0.3 -18,-0.4 -19,-0.1 -0.897 31.7 155.6-121.5 97.9 -9.5 16.7 4.3 28 7 B b > - 0 0 43 -2,-0.5 3,-1.5 -21,-0.1 2,-0.3 -0.925 49.0 -20.3-125.0 148.6 -11.8 18.1 6.9 29 8 B G T 3> S+ 0 0 59 -2,-0.3 4,-1.6 1,-0.3 3,-0.1 -0.401 130.6 1.5 67.7-122.2 -15.0 16.9 8.6 30 9 B S H 3> S+ 0 0 87 -2,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.755 131.6 60.6 -75.7 -23.9 -17.0 14.3 6.7 31 10 B H H <> S+ 0 0 120 -3,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.840 104.5 47.8 -72.5 -32.4 -14.3 14.2 4.0 32 11 B L H > S+ 0 0 15 2,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.934 109.9 52.9 -67.6 -50.6 -11.6 13.1 6.5 33 12 B V H X S+ 0 0 56 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.907 113.6 43.6 -48.8 -51.4 -13.9 10.4 7.9 34 13 B E H X S+ 0 0 109 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.856 106.5 58.6 -63.3 -39.1 -14.4 9.1 4.4 35 14 B A H X S+ 0 0 9 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.880 112.4 44.5 -60.1 -31.5 -10.7 9.4 3.5 36 15 B L H X S+ 0 0 13 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.822 107.4 54.0 -81.7 -33.3 -10.3 7.1 6.5 37 16 B Y H X S+ 0 0 144 -4,-1.8 4,-0.6 -5,-0.2 -2,-0.2 0.839 114.9 47.1 -66.1 -31.5 -13.1 4.7 5.6 38 17 B L H < S+ 0 0 126 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.943 120.2 30.7 -71.0 -56.0 -11.3 4.4 2.2 39 18 B V H < S+ 0 0 31 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.708 115.0 58.6 -84.3 -20.4 -7.6 3.9 3.2 40 19 B c H >< S+ 0 0 2 -4,-1.7 3,-1.3 -5,-0.2 4,-0.4 0.692 74.3 160.6 -89.1 -21.7 -8.2 2.0 6.4 41 20 B G G >< + 0 0 50 -4,-0.6 3,-1.3 1,-0.2 -1,-0.2 0.019 68.7 2.0 50.0-134.6 -10.2 -0.9 4.9 42 21 B E G 3 S+ 0 0 208 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.784 125.9 69.2 -54.2 -34.6 -10.4 -4.1 7.0 43 22 B R G < S- 0 0 131 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.710 89.3-153.3 -53.0 -38.8 -8.4 -2.4 9.8 44 23 B G < - 0 0 33 -3,-1.3 -23,-1.6 -4,-0.4 2,-0.3 -0.136 5.3-123.8 74.9-177.6 -11.1 0.1 10.8 45 24 B F - 0 0 31 -25,-0.2 2,-0.2 -24,-0.2 -25,-0.1 -0.973 21.9 -98.1-153.6 153.3 -10.4 3.4 12.4 46 25 B F 0 0 171 -27,-0.4 -2,-0.0 -2,-0.3 -27,-0.0 -0.523 360.0 360.0 -66.2 135.2 -11.4 5.2 15.6 47 26 B X 0 0 119 -2,-0.2 -1,-0.2 0, 0.0 -14,-0.0 0.798 360.0 360.0 96.0 360.0 -14.3 7.6 15.0