==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 02-SEP-09 2WRU . 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) . 3598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 60.9 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 . 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 . 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 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 60 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-160.9 4.2 -16.4 46.3 2 2 A I H >> + 0 0 39 1,-0.2 4,-2.6 2,-0.2 5,-0.6 0.811 360.0 54.0 -57.3 -33.5 5.3 -14.4 49.3 3 3 A V H >>S+ 0 0 86 2,-0.2 5,-2.7 3,-0.2 4,-2.2 0.963 111.5 43.9 -66.9 -48.6 2.0 -12.5 49.6 4 4 A E H 4>S+ 0 0 128 3,-0.2 5,-1.9 1,-0.2 -2,-0.2 0.920 120.4 41.7 -59.6 -44.2 -0.0 -15.6 49.7 5 5 A Q H <5S+ 0 0 68 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.850 130.4 19.6 -72.3 -38.5 2.3 -17.3 52.1 6 6 A a H <5S+ 0 0 1 -4,-2.6 21,-2.8 -5,-0.2 5,-0.4 0.651 131.5 33.8-110.5 -25.3 3.1 -14.6 54.5 7 7 A b T < - 0 0 55 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.464 32.4-103.4 -84.7 169.2 7.5 -19.3 59.3 13 13 A L H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 123.0 54.0 -57.7 -43.2 11.0 -18.0 59.5 14 14 A Y H > S+ 0 0 158 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.911 109.9 46.7 -56.3 -47.5 12.1 -20.9 57.2 15 15 A Q H 4 S+ 0 0 59 2,-0.2 4,-0.3 1,-0.2 3,-0.3 0.921 113.6 48.6 -64.4 -41.7 9.5 -19.9 54.5 16 16 A L H >< S+ 0 0 8 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.916 107.5 53.6 -65.9 -41.8 10.4 -16.3 54.8 17 17 A E H >< S+ 0 0 65 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.771 96.7 66.7 -66.4 -26.4 14.1 -16.8 54.5 18 18 A N T 3< S+ 0 0 109 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.650 97.5 55.9 -71.6 -8.7 13.5 -18.8 51.3 19 19 A Y T < S+ 0 0 71 -3,-2.0 27,-0.4 -4,-0.3 -1,-0.2 0.353 85.2 107.2 -95.7 -1.7 12.4 -15.4 49.8 20 20 A c < 0 0 11 -3,-1.4 25,-0.3 1,-0.2 24,-0.1 -0.523 360.0 360.0 -70.3 151.6 15.7 -13.8 50.6 21 21 A N 0 0 161 23,-2.1 -1,-0.2 -2,-0.2 24,-0.2 0.890 360.0 360.0 48.8 360.0 18.1 -13.0 47.7 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 2 B V 0 0 187 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.9 -1.7 -9.7 67.6 24 3 B N - 0 0 120 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.507 360.0-173.2 -66.3 116.7 -1.7 -9.8 63.8 25 4 B Q + 0 0 134 -2,-0.4 -14,-0.4 2,-0.0 2,-0.2 0.369 53.6 104.3 -94.4 5.0 0.6 -12.6 62.6 26 5 B H - 0 0 70 -16,-0.1 2,-0.5 -18,-0.1 -19,-0.2 -0.602 60.7-149.4 -88.9 143.9 0.3 -11.6 59.0 27 6 B L + 0 0 49 -21,-2.8 2,-0.3 -18,-0.4 -21,-0.1 -0.956 29.6 160.0-118.6 107.9 3.0 -9.8 57.2 28 7 B b >> - 0 0 45 -2,-0.5 3,-1.6 -21,-0.1 4,-0.5 -0.930 48.6 -26.2-132.7 147.2 1.8 -7.5 54.5 29 8 B G H >> S+ 0 0 55 -2,-0.3 4,-1.9 1,-0.3 3,-0.7 -0.099 130.5 3.6 55.0-129.3 3.1 -4.4 52.6 30 9 B S H 3> S+ 0 0 85 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.820 131.8 58.4 -61.3 -31.2 5.7 -2.4 54.6 31 10 B H H <> S+ 0 0 129 -3,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.859 106.0 49.5 -66.1 -35.7 5.6 -5.0 57.4 32 11 B L H < S+ 0 0 5 -4,-2.6 3,-1.9 -5,-0.3 -1,-0.2 0.841 77.0 162.7 -84.5 -33.0 17.6 -11.6 55.3 41 20 B G G >< S+ 0 0 46 -4,-1.5 3,-1.8 -5,-0.5 -1,-0.2 -0.227 71.2 2.2 54.9-129.8 20.2 -9.2 56.7 42 21 B E G 3 S+ 0 0 215 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.627 124.2 72.3 -67.6 -13.8 23.4 -9.0 54.6 43 22 B R G < S- 0 0 117 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.816 89.9-157.7 -68.1 -33.7 21.8 -11.4 52.1 44 23 B G < - 0 0 28 -3,-1.8 -23,-2.1 -7,-0.1 2,-0.3 -0.052 3.1-134.7 70.9-178.8 19.5 -8.7 50.9 45 24 B F - 0 0 29 -25,-0.3 2,-0.5 -24,-0.2 -25,-0.1 -0.988 27.9 -58.6-164.9 154.6 16.2 -9.3 49.1 46 25 B F 0 0 170 -27,-0.4 -10,-0.0 1,-0.3 -2,-0.0 -0.740 360.0 360.0 -78.2 129.3 14.0 -8.2 46.2 47 26 B X 0 0 124 -2,-0.5 -1,-0.3 0, 0.0 -14,-0.0 -0.625 360.0 360.0-120.2 360.0 13.1 -5.4 45.9