==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INSULIN 08-MAR-04 1UZ9 . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.L.WHITTINGHAM,I.JONASSEN,S.HAVELUND,S.M.ROBERTS, . 50 3 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 66.0 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 4.0 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 . 2 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 42.0 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+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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 47 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-169.9 23.5 33.9 29.9 2 2 A I H > + 0 0 4 47,-0.6 4,-2.2 2,-0.2 5,-0.2 0.785 360.0 52.3 -71.8 -31.3 22.4 30.8 28.2 3 3 A V H > S+ 0 0 13 47,-1.1 4,-2.0 46,-0.3 5,-0.3 0.965 114.4 42.9 -71.1 -48.8 24.7 28.3 30.0 4 4 A E H 4 S+ 0 0 163 46,-0.5 4,-0.4 1,-0.2 5,-0.3 0.906 120.0 45.4 -56.8 -42.1 23.6 29.6 33.5 5 5 A Q H < S+ 0 0 90 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.854 126.8 22.5 -70.0 -38.5 19.9 29.7 32.3 6 6 A a H < S+ 0 0 13 -4,-2.2 5,-0.4 -5,-0.2 -2,-0.2 0.407 107.5 67.8-121.5 -1.6 19.7 26.3 30.5 7 7 A b S < S+ 0 0 35 -4,-2.0 -3,-0.1 -5,-0.2 3,-0.1 0.602 110.1 31.1-102.4 -10.0 22.4 23.9 31.8 8 8 A T S S+ 0 0 136 1,-0.5 2,-0.3 -4,-0.4 -2,-0.1 0.769 129.5 30.5-105.1 -53.3 21.1 23.4 35.4 9 9 A S S S- 0 0 74 -5,-0.3 -1,-0.5 -4,-0.3 2,-0.1 -0.839 98.7-102.4-100.7 149.3 17.3 23.8 34.8 10 10 A I - 0 0 162 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.412 30.2-144.6 -74.4 141.8 15.9 22.7 31.5 11 11 A a - 0 0 21 -5,-0.4 2,-0.1 -2,-0.1 -5,-0.1 -0.851 11.1-129.0-107.5 140.6 14.9 25.3 28.8 12 12 A S > - 0 0 56 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.451 27.2-112.5 -76.1 159.3 12.0 25.1 26.4 13 13 A L H > S+ 0 0 111 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.850 120.7 60.2 -59.8 -29.1 12.4 25.6 22.7 14 14 A Y H 4 S+ 0 0 176 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.921 103.7 48.4 -66.2 -43.9 10.4 28.8 23.3 15 15 A Q H >4 S+ 0 0 61 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.825 106.4 57.6 -60.2 -37.7 13.0 30.1 25.7 16 16 A L H >< S+ 0 0 8 -4,-1.7 3,-2.0 1,-0.2 4,-0.3 0.823 89.5 73.7 -66.6 -28.6 15.8 29.2 23.2 17 17 A E G >< S+ 0 0 74 -4,-1.3 3,-1.4 -3,-0.4 -1,-0.2 0.745 80.6 73.9 -56.0 -22.8 14.1 31.4 20.6 18 18 A N G < S+ 0 0 114 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.775 93.2 53.6 -60.0 -27.0 15.4 34.5 22.5 19 19 A Y G < S+ 0 0 64 -3,-2.0 28,-2.0 -4,-0.2 -1,-0.3 0.507 83.0 109.7 -91.8 -2.1 18.9 33.8 21.3 20 20 A c B < A 46 0A 17 -3,-1.4 26,-0.3 -4,-0.3 25,-0.1 -0.403 360.0 360.0 -68.7 148.4 17.9 33.7 17.6 21 21 A N 0 0 137 24,-2.0 25,-0.2 23,-0.1 -1,-0.1 0.711 360.0 360.0 -73.1 360.0 19.1 36.7 15.6 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 0 209 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -18.9 33.1 22.8 33.8 24 2 B V H > + 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 360.0 52.2 -60.3 -44.5 32.8 19.5 31.8 25 3 B N H > S+ 0 0 133 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 109.8 48.9 -61.5 -37.2 29.0 19.3 32.3 26 4 B Q H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.872 109.7 52.6 -69.3 -38.5 28.6 22.8 31.0 27 5 B H H X S+ 0 0 137 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.934 111.4 45.9 -60.1 -46.3 30.8 22.0 28.0 28 6 B L H X S+ 0 0 93 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.934 113.7 49.3 -63.8 -45.5 28.6 19.0 27.2 29 7 B b H X S+ 0 0 29 -4,-2.5 4,-2.2 -5,-0.2 3,-0.4 0.934 106.4 56.2 -59.3 -45.1 25.4 21.0 27.7 30 8 B G H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.864 101.0 58.0 -57.0 -39.6 26.6 23.8 25.5 31 9 B S H X S+ 0 0 69 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.926 110.7 42.8 -56.6 -44.6 27.2 21.4 22.6 32 10 B H H X S+ 0 0 141 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.838 109.5 57.8 -70.9 -33.8 23.5 20.4 22.8 33 11 B L H X S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 107.0 48.0 -62.4 -44.5 22.3 24.1 23.2 34 12 B V H X S+ 0 0 47 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 109.9 51.7 -69.1 -35.1 24.0 25.1 19.9 35 13 B E H X S+ 0 0 110 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.921 112.2 46.9 -65.7 -38.2 22.5 22.1 18.1 36 14 B A H X S+ 0 0 25 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.905 110.4 51.6 -68.4 -43.3 19.0 23.1 19.4 37 15 B L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.894 105.6 57.2 -60.7 -39.3 19.5 26.8 18.5 38 16 B Y H X S+ 0 0 152 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.934 114.5 37.1 -56.9 -47.2 20.5 25.8 15.0 39 17 B L H < S+ 0 0 124 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.914 118.8 47.5 -72.3 -43.8 17.2 24.0 14.5 40 18 B V H < S+ 0 0 31 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.884 115.6 44.2 -64.4 -42.0 14.9 26.4 16.4 41 19 B c H >< S+ 0 0 2 -4,-2.6 3,-1.9 -5,-0.2 4,-0.3 0.697 80.0 170.8 -86.4 -21.5 16.3 29.5 14.7 42 20 B G G >< + 0 0 48 -4,-1.1 3,-1.6 -5,-0.3 -1,-0.2 -0.112 69.8 1.7 55.3-136.4 16.4 28.3 11.1 43 21 B E G 3 S+ 0 0 204 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.711 127.1 65.9 -56.1 -24.2 17.2 31.0 8.5 44 22 B R G < S- 0 0 113 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.795 87.9-159.4 -67.8 -29.8 17.6 33.7 11.3 45 23 B G < - 0 0 26 -3,-1.6 -24,-2.0 -4,-0.3 2,-0.3 -0.250 11.1-112.3 67.0-170.1 20.7 32.1 12.8 46 24 B F B -A 20 0A 59 -26,-0.3 2,-0.6 -25,-0.2 -26,-0.2 -0.979 2.3-120.4-156.4 166.1 21.7 32.9 16.3 47 25 B F - 0 0 141 -28,-2.0 2,-0.6 -2,-0.3 -2,-0.0 -0.971 29.7-165.7-116.5 111.0 24.3 34.5 18.6 48 26 B Y + 0 0 85 -2,-0.6 -2,-0.0 -46,-0.0 -28,-0.0 -0.904 19.3 156.0 -98.7 123.6 25.9 32.0 21.0 49 27 B T 0 0 58 -2,-0.6 -47,-0.6 1,-0.1 -46,-0.3 -0.982 360.0 360.0-140.8 132.8 27.8 33.3 24.0 50 28 B P 0 0 72 0, 0.0 -47,-1.1 0, 0.0 -46,-0.5 0.777 360.0 360.0 -63.5 360.0 28.3 31.2 27.2 51 ! 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 52 1029 B X 0 0 357 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 360.0 27.5 34.2 29.3