==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RADIATION DAMAGE 18-MAR-05 2BN3 . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.H.NANAO,R.B.RAVELLI . 51 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 60.8 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 3.9 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.9 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 32 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-160.2 13.6 45.8 30.8 2 2 A I H > + 0 0 0 47,-0.5 4,-2.5 1,-0.2 5,-0.5 0.809 360.0 54.4 -59.8 -36.9 16.7 43.7 30.0 3 3 A V H >>S+ 0 0 35 46,-0.3 5,-2.8 2,-0.2 4,-2.2 0.947 110.1 45.6 -64.4 -46.2 19.0 46.7 30.0 4 4 A E H 45S+ 0 0 89 -3,-0.3 5,-0.2 3,-0.2 -2,-0.2 0.895 121.4 40.2 -59.9 -40.7 18.0 47.8 33.5 5 5 A Q H <5S+ 0 0 82 -4,-2.1 -2,-0.2 3,-0.1 -1,-0.2 0.760 130.5 20.8 -83.2 -27.8 18.2 44.2 34.8 6 6 A a H <>S+ 0 0 0 -4,-2.5 22,-3.3 -5,-0.2 5,-0.6 0.636 131.5 30.9-118.8 -21.1 21.3 43.0 33.1 7 7 A b T <5S+ 0 0 31 -4,-2.2 -3,-0.2 -5,-0.5 -4,-0.1 0.798 126.9 35.6-104.2 -55.1 23.4 46.0 32.1 8 8 A T T - 0 0 29 13,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.980 28.2-121.5-146.5 157.3 21.1 36.4 36.1 13 13 A L H > S+ 0 0 81 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.919 113.8 58.4 -66.1 -40.2 20.3 33.2 34.2 14 14 A Y H > S+ 0 0 181 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.903 112.7 38.9 -53.3 -48.8 16.8 33.3 35.4 15 15 A Q H >4 S+ 0 0 55 2,-0.2 3,-0.9 1,-0.2 4,-0.3 0.904 111.7 56.4 -71.9 -41.6 16.3 36.7 33.8 16 16 A L H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.912 103.2 56.1 -56.7 -42.9 18.3 36.0 30.7 17 17 A E H >< S+ 0 0 84 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.717 90.4 73.1 -68.4 -17.4 16.1 33.0 29.9 18 18 A N T << S+ 0 0 98 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.628 96.7 51.9 -67.5 -11.6 13.0 35.1 30.0 19 19 A Y T < S+ 0 0 40 -3,-2.0 28,-2.2 -4,-0.3 -1,-0.2 0.383 85.0 104.5-106.2 0.5 14.2 36.5 26.7 20 20 A c B < A 46 0A 13 -3,-1.3 26,-0.3 26,-0.2 25,-0.1 -0.551 360.0 360.0 -74.4 146.0 14.7 33.2 25.0 21 21 A N 0 0 145 24,-2.1 -1,-0.1 -2,-0.2 24,-0.1 -0.340 360.0 360.0 -67.0 360.0 12.0 32.3 22.4 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 1 B F 0 0 139 0, 0.0 3,-0.2 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 -18.1 29.6 34.7 32.1 24 2 B V + 0 0 8 1,-0.2 2,-1.7 12,-0.1 -13,-0.2 0.776 360.0 73.7 -89.7 -31.0 26.0 35.4 33.0 25 3 B N S S+ 0 0 123 -15,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.413 88.5 67.7 -92.7 60.7 26.3 36.7 36.6 26 4 B Q S S- 0 0 100 -2,-1.7 -15,-2.4 -3,-0.2 2,-0.5 -0.912 99.1 -64.9-156.6 175.7 27.8 40.1 35.8 27 5 B H - 0 0 105 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.685 53.1-171.8 -74.6 127.5 26.9 43.4 34.2 28 6 B L + 0 0 9 -22,-3.3 2,-0.3 -2,-0.5 -19,-0.1 -0.978 8.6 170.9-129.0 115.8 26.3 42.6 30.5 29 7 B b > - 0 0 54 -2,-0.5 3,-1.9 -22,-0.1 4,-0.2 -0.934 47.0 -26.0-128.2 148.6 25.8 45.5 28.1 30 8 B G T >> S+ 0 0 37 -2,-0.3 4,-2.3 1,-0.3 3,-0.8 -0.230 130.6 2.7 58.7-133.2 25.6 45.8 24.3 31 9 B S H 3> S+ 0 0 86 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.797 131.7 60.6 -59.8 -26.4 27.3 43.1 22.3 32 10 B H H <> S+ 0 0 126 -3,-1.9 4,-1.4 2,-0.2 -1,-0.3 0.877 108.2 43.4 -67.1 -38.3 28.2 41.4 25.6 33 11 B L H <> S+ 0 0 0 -3,-0.8 4,-2.4 -4,-0.2 -2,-0.2 0.906 112.7 51.1 -70.8 -48.3 24.5 41.0 26.5 34 12 B V H X S+ 0 0 50 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 109.6 52.1 -56.4 -40.1 23.6 39.9 23.0 35 13 B E H X S+ 0 0 126 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.852 108.3 49.8 -66.3 -38.3 26.4 37.3 23.2 36 14 B A H X S+ 0 0 2 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.908 110.7 50.5 -66.8 -44.1 25.1 35.9 26.5 37 15 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.920 109.3 51.9 -58.1 -45.0 21.6 35.6 25.1 38 16 B Y H X S+ 0 0 152 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.944 114.0 41.8 -58.8 -47.3 22.9 33.8 22.1 39 17 B L H < S+ 0 0 99 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.905 119.3 42.9 -69.4 -40.2 24.8 31.3 24.2 40 18 B V H < S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.922 117.4 43.9 -70.3 -44.6 22.1 30.7 26.8 41 19 B c H >< S+ 0 0 1 -4,-2.7 3,-1.8 -5,-0.3 4,-0.3 0.743 82.7 170.6 -79.1 -26.5 19.2 30.5 24.5 42 20 B G G >< - 0 0 43 -4,-1.6 3,-1.7 -5,-0.3 -1,-0.2 -0.146 68.6 -0.2 56.0-133.8 20.8 28.3 21.8 43 21 B E G 3 S+ 0 0 207 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.627 126.9 68.5 -68.4 -13.7 18.5 27.0 19.1 44 22 B R G < S- 0 0 105 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.852 89.9-158.0 -63.4 -33.1 15.6 28.8 20.8 45 23 B G < - 0 0 23 -3,-1.7 -24,-2.1 -4,-0.3 2,-0.3 -0.278 7.3-127.3 62.3-170.6 17.0 32.2 19.8 46 24 B F B -A 20 0A 56 -26,-0.3 2,-0.4 -3,-0.1 -26,-0.2 -0.943 4.2-110.1-159.5 168.7 15.9 35.2 21.7 47 25 B F - 0 0 85 -28,-2.2 2,-0.6 -2,-0.3 -2,-0.0 -0.977 18.3-159.5-118.5 134.0 14.6 38.7 21.6 48 26 B Y + 0 0 82 -2,-0.4 -14,-0.0 -46,-0.0 -2,-0.0 -0.956 18.5 169.0-115.0 105.0 16.8 41.7 22.5 49 27 B T > + 0 0 48 -2,-0.6 3,-0.6 1,-0.1 -47,-0.5 -0.815 7.0 167.3-120.8 79.8 14.5 44.7 23.4 50 28 B P T 3 S+ 0 0 42 0, 0.0 -47,-0.2 0, 0.0 -1,-0.1 0.774 79.0 49.7 -72.5 -20.0 16.6 47.4 24.9 51 29 B K T 3 0 0 200 1,-0.1 -2,-0.0 -48,-0.1 0, 0.0 0.586 360.0 360.0 -83.8 -18.0 13.8 50.1 24.7 52 30 B A < 0 0 90 -3,-0.6 -1,-0.1 0, 0.0 0, 0.0 0.759 360.0 360.0 -99.2 360.0 11.2 47.8 26.4