==== 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 2WRV . 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) . 3683.0 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 . 2 4.3 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 . 15 32.6 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 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 . 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 61 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-154.6 -15.3 3.0 -15.3 2 2 A I H >> + 0 0 36 1,-0.2 4,-2.9 2,-0.2 5,-0.7 0.859 360.0 53.7 -65.5 -35.4 -14.2 4.9 -12.3 3 3 A V H >>S+ 0 0 87 2,-0.2 5,-2.7 1,-0.2 4,-1.5 0.948 112.5 43.2 -67.4 -47.0 -17.5 6.9 -12.0 4 4 A E H 4>S+ 0 0 131 3,-0.2 5,-2.3 1,-0.2 -2,-0.2 0.956 121.3 42.1 -58.8 -46.1 -19.6 3.7 -12.0 5 5 A Q H <5S+ 0 0 67 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.834 130.3 18.8 -70.2 -35.5 -17.2 2.0 -9.6 6 6 A a H <5S+ 0 0 1 -4,-2.9 21,-2.9 -5,-0.2 5,-0.3 0.643 132.9 31.5-114.9 -26.6 -16.4 4.8 -7.1 7 7 A b T < - 0 0 58 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.277 32.6-102.7 -85.4 176.4 -12.1 -0.2 -2.3 13 13 A L H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.915 123.2 54.2 -62.3 -43.7 -8.6 1.2 -2.2 14 14 A Y H > S+ 0 0 170 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.897 110.2 45.0 -59.4 -47.9 -7.4 -1.6 -4.5 15 15 A Q H >4 S+ 0 0 62 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.889 113.3 51.6 -61.9 -43.8 -10.1 -0.7 -7.1 16 16 A L H >< S+ 0 0 7 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.944 104.0 54.9 -61.6 -45.2 -9.3 3.0 -6.8 17 17 A E H >< S+ 0 0 64 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.602 93.3 73.3 -67.1 -13.1 -5.4 2.5 -7.3 18 18 A N T << S+ 0 0 112 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.646 92.4 55.4 -73.4 -11.1 -6.3 0.8 -10.5 19 19 A Y T < S+ 0 0 68 -3,-2.4 27,-0.5 -4,-0.3 2,-0.2 0.246 85.0 109.5-104.9 8.8 -7.2 4.2 -11.9 20 20 A c B < A 45 0A 11 -3,-1.0 25,-0.3 1,-0.2 24,-0.1 -0.618 360.0 360.0 -76.3 148.5 -3.8 5.6 -11.0 21 21 A N 0 0 165 23,-2.3 -1,-0.2 -2,-0.2 24,-0.2 0.866 360.0 360.0 48.3 360.0 -1.4 6.3 -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 0 181 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.9 -20.8 9.0 6.1 24 3 B N - 0 0 117 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.738 360.0-173.8 -67.5 120.8 -21.1 9.3 2.3 25 4 B Q + 0 0 124 -2,-0.6 -14,-0.4 -18,-0.1 2,-0.3 0.348 50.2 105.7-102.4 7.0 -18.7 6.6 1.0 26 5 B H - 0 0 67 -16,-0.1 2,-0.6 -18,-0.0 -19,-0.2 -0.638 58.3-152.3 -87.8 146.0 -19.1 7.7 -2.6 27 6 B L + 0 0 51 -21,-2.9 2,-0.3 -18,-0.4 -21,-0.1 -0.956 28.4 160.2-121.6 107.2 -16.3 9.6 -4.3 28 7 B b > - 0 0 48 -2,-0.6 3,-1.5 -21,-0.1 4,-0.3 -0.974 50.3 -27.4-131.5 144.5 -17.6 11.8 -7.1 29 8 B G T 3> S+ 0 0 56 -2,-0.3 4,-2.3 1,-0.3 3,-0.2 -0.293 131.1 6.5 59.4-120.6 -16.2 14.9 -8.9 30 9 B S H 3> S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.807 132.5 55.0 -73.2 -25.5 -13.7 16.9 -6.8 31 10 B H H <> S+ 0 0 126 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.849 108.2 48.8 -70.9 -33.1 -13.8 14.3 -4.0 32 11 B L H > S+ 0 0 14 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.917 111.0 50.9 -67.8 -44.2 -12.8 11.6 -6.6 33 12 B V H X S+ 0 0 65 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 112.1 46.8 -52.5 -50.3 -10.1 13.9 -7.8 34 13 B E H X S+ 0 0 109 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.902 108.9 54.1 -62.7 -41.2 -8.8 14.4 -4.2 35 14 B A H X S+ 0 0 11 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.847 110.1 47.9 -60.5 -39.6 -8.9 10.6 -3.5 36 15 B L H X>S+ 0 0 9 -4,-1.8 4,-2.7 2,-0.2 5,-0.5 0.945 108.3 52.9 -69.0 -50.9 -6.8 10.0 -6.5 37 16 B Y H X5S+ 0 0 159 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.934 115.2 45.2 -37.4 -59.2 -4.2 12.7 -5.6 38 17 B L H <5S+ 0 0 124 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.926 121.0 32.2 -48.4 -64.2 -4.0 11.0 -2.2 39 18 B V H <5S+ 0 0 32 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.782 118.7 50.4 -81.4 -25.7 -3.7 7.4 -3.1 40 19 B c H ><5S+ 0 0 4 -4,-2.7 3,-1.1 -5,-0.2 4,-0.3 0.774 78.8 165.5 -87.2 -26.7 -1.8 7.7 -6.4 41 20 B G G ><< - 0 0 48 -4,-1.3 3,-1.0 -5,-0.5 -1,-0.2 -0.227 67.9 -1.3 53.3-124.4 0.9 9.9 -5.0 42 21 B E G 3 S+ 0 0 203 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.824 124.9 69.0 -75.9 -35.2 3.9 10.2 -7.2 43 22 B R G < S- 0 0 128 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.790 93.0-156.9 -37.1 -45.0 2.5 7.8 -9.9 44 23 B G < - 0 0 25 -3,-1.0 -23,-2.3 -4,-0.3 2,-0.3 -0.094 2.0-124.2 76.5-178.2 -0.1 10.5 -10.7 45 24 B F B -A 20 0A 30 -25,-0.3 2,-0.4 -24,-0.2 -25,-0.1 -0.994 30.0 -60.7-160.4 153.7 -3.4 10.0 -12.4 46 25 B F 0 0 159 -27,-0.5 -2,-0.0 1,-0.3 -10,-0.0 -0.745 360.0 360.0 -83.5 131.1 -5.6 11.0 -15.3 47 26 B X 0 0 210 -2,-0.4 -1,-0.3 0, 0.0 -14,-0.0 -0.302 360.0 360.0-118.3 360.0 -6.4 13.8 -15.6