==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 03-SEP-07 2JUU . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.HUANG,S.CHAN,Q.HUA,Y.CHU,R.WANG,B.KLAPROTH,W.JIA, . 51 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 58.8 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 . 4 7.8 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 . 3 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 5.9 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 0 1 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 . 2 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 58 0, 0.0 4,-0.7 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 144.3 0.3 -9.3 -5.4 2 2 A I H > + 0 0 5 47,-0.4 4,-0.9 2,-0.2 5,-0.2 0.810 360.0 58.2 -98.8 -36.9 0.2 -5.8 -4.0 3 3 A X H > S+ 0 0 18 46,-0.8 4,-1.6 1,-0.2 5,-0.4 0.623 107.4 53.9 -69.3 -6.2 1.2 -6.5 -0.4 4 4 A E H >>S+ 0 0 69 3,-0.2 5,-1.6 2,-0.2 4,-1.4 0.874 97.7 57.7 -93.0 -45.7 4.4 -8.0 -1.9 5 5 A Q H <5S+ 0 0 92 -4,-0.7 -2,-0.2 3,-0.2 -1,-0.1 0.765 122.6 31.9 -56.2 -18.5 5.5 -5.0 -4.0 6 6 A a H <5S+ 0 0 0 -4,-0.9 22,-0.7 21,-0.1 5,-0.3 0.806 134.6 26.2-105.2 -46.9 5.5 -3.2 -0.6 7 7 A b H <5S+ 0 0 58 -4,-1.6 -3,-0.2 20,-0.3 -2,-0.2 0.881 134.1 36.5 -85.7 -39.2 6.4 -6.0 1.9 8 8 A T T <5S+ 0 0 114 -4,-1.4 -3,-0.2 -5,-0.4 2,-0.2 0.649 140.1 3.0 -85.1 -13.9 8.4 -8.1 -0.6 9 9 A S S - 0 0 34 -2,-0.3 4,-2.2 13,-0.2 5,-0.4 -0.500 50.4 -82.0-109.9-177.3 5.8 4.8 -1.4 13 13 A L T 4 S+ 0 0 82 1,-0.2 4,-0.3 2,-0.2 -1,-0.0 0.683 131.7 49.6 -60.2 -12.8 2.7 7.1 -1.0 14 14 A Y T > S+ 0 0 159 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.868 107.1 49.9 -93.4 -43.7 2.2 6.7 -4.7 15 15 A Q T 4 S+ 0 0 65 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.923 119.1 38.5 -63.1 -41.6 2.4 2.9 -5.0 16 16 A L T >X S+ 0 0 1 -4,-2.2 3,-1.1 1,-0.2 4,-0.8 0.809 114.2 54.9 -81.4 -24.7 -0.1 2.4 -2.2 17 17 A E T 34 S+ 0 0 82 -5,-0.4 3,-0.2 -4,-0.3 -2,-0.2 0.799 99.1 62.5 -76.5 -22.4 -2.2 5.3 -3.3 18 18 A N T 3< S+ 0 0 113 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.525 103.0 52.5 -76.9 -1.2 -2.4 3.6 -6.7 19 19 A Y T <4 S+ 0 0 74 -3,-1.1 28,-1.1 -5,-0.1 2,-0.4 0.671 85.5 92.0-105.5 -22.6 -4.2 0.8 -4.9 20 20 A c B < B 46 0B 16 -4,-0.8 26,-0.3 -3,-0.2 25,-0.1 -0.577 360.0 360.0 -73.9 124.2 -6.8 2.9 -3.2 21 21 A N 0 0 149 24,-2.1 25,-0.2 -2,-0.4 24,-0.2 0.503 360.0 360.0 -80.8 360.0 -9.9 3.0 -5.5 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 0 225 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 0.000 360.0 360.0 360.0 113.9 9.0 9.9 4.8 24 2 B V - 0 0 112 1,-0.1 0, 0.0 -12,-0.1 0, 0.0 -0.824 360.0 -65.4-125.0 166.3 10.7 8.0 2.0 25 3 B N + 0 0 91 -2,-0.3 2,-0.3 -15,-0.1 -13,-0.2 -0.126 69.2 155.7 -46.4 144.5 9.8 4.8 0.1 26 4 B Q B -A 11 0A 116 -15,-1.4 -15,-2.7 -3,-0.1 2,-0.4 -0.897 43.0 -81.1-158.0-173.3 9.8 1.8 2.5 27 5 B H + 0 0 123 -2,-0.3 2,-0.3 -17,-0.2 -20,-0.3 -0.830 46.0 159.8-104.5 141.1 8.5 -1.7 3.1 28 6 B L - 0 0 27 -22,-0.7 2,-0.3 -2,-0.4 -21,-0.2 -0.898 17.2-163.6-161.7 127.9 5.0 -2.3 4.6 29 7 B b >> - 0 0 52 -2,-0.3 4,-1.8 -23,-0.2 3,-0.6 -0.881 56.3 -56.9-116.7 149.6 2.6 -5.3 4.5 30 8 B G H 3>>S+ 0 0 6 -2,-0.3 4,-4.3 2,-0.2 5,-0.6 0.222 132.7 43.9 20.8 -86.4 -1.2 -5.4 5.3 31 9 B S H 3>5S+ 0 0 105 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.929 133.9 18.1 -42.7 -84.0 -1.0 -4.0 8.8 32 10 B D H <>5S+ 0 0 116 -3,-0.6 4,-1.5 1,-0.2 -1,-0.3 0.660 124.4 67.1 -66.9 -9.8 1.4 -1.1 8.2 33 11 B L H X5S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.949 102.6 39.0 -77.7 -48.5 0.6 -1.5 4.5 34 12 B V H X5S+ 0 0 29 -4,-4.3 4,-3.7 -3,-0.3 -2,-0.2 0.845 109.7 63.3 -72.2 -25.4 -3.1 -0.4 4.7 35 13 B E H XS+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-1.8 0.878 110.8 55.4 -52.5 -35.5 -2.8 3.0 2.0 38 16 B Y H <5S+ 0 0 132 -4,-3.7 5,-0.2 3,-0.2 -2,-0.2 0.997 111.0 38.3 -63.3 -64.6 -4.9 4.7 4.6 39 17 B L H <5S+ 0 0 137 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.969 117.4 51.2 -53.3 -56.3 -2.9 8.0 4.8 40 18 B V H <5S- 0 0 24 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.960 146.8 -17.5 -45.9 -59.4 -2.3 8.1 1.0 41 19 B c T <5S+ 0 0 27 -4,-2.3 2,-1.9 -5,-0.4 -3,-0.2 0.737 79.0 155.0-113.4 -66.5 -6.0 7.6 0.4 42 20 B G S >