==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 17-NOV-09 3KQ6 . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Z.L.WAN,S.Q.HU,L.WHITTAKER,N.B.PHILLIPS,J.WHITTAKE,F.ISMAIL- . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 64.7 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 . 8 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 3 0 0 0 0 0 1 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 44 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 179.2 37.6 3.2 11.5 2 2 A I H >> + 0 0 2 47,-0.4 4,-3.3 1,-0.2 5,-0.6 0.816 360.0 61.8 -68.6 -31.9 39.8 5.6 9.6 3 3 A V H >>S+ 0 0 32 1,-0.2 5,-2.3 2,-0.2 4,-2.2 0.942 108.8 39.7 -61.9 -46.9 38.2 8.6 11.3 4 4 A H H 4>S+ 0 0 97 46,-0.3 5,-0.9 3,-0.2 -1,-0.2 0.854 120.2 47.0 -73.2 -29.3 39.4 7.5 14.8 5 5 A Q H <5S+ 0 0 83 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.892 130.0 17.5 -77.5 -40.3 42.8 6.4 13.4 6 6 A a H <5S+ 0 0 0 -4,-3.3 22,-3.3 -5,-0.1 5,-0.4 0.601 132.8 36.8-110.2 -16.5 43.6 9.4 11.3 7 7 A b T < - 0 0 59 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.428 37.9-101.4 -77.7 163.4 51.6 8.2 9.1 13 13 A L H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.896 124.8 55.5 -53.7 -41.6 51.5 8.1 5.4 14 14 A Y H > S+ 0 0 160 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.899 107.7 47.4 -58.7 -42.9 51.8 4.3 5.6 15 15 A Q H >4 S+ 0 0 80 -3,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.817 108.4 55.2 -68.9 -30.3 48.8 4.0 7.9 16 16 A L H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.873 100.2 61.3 -69.4 -35.2 46.8 6.3 5.5 17 17 A E H >< S+ 0 0 69 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.699 83.3 79.0 -65.9 -17.5 47.6 3.8 2.7 18 18 A N T << S+ 0 0 92 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.724 91.7 54.5 -62.4 -18.1 45.8 1.1 4.6 19 19 A Y T < S+ 0 0 41 -3,-1.8 28,-2.1 -4,-0.2 -1,-0.3 0.275 85.4 104.0-100.3 11.1 42.6 2.7 3.3 20 20 A c B < A 46 0A 12 -3,-2.1 26,-0.3 26,-0.2 25,-0.1 -0.629 360.0 360.0 -87.6 153.0 43.7 2.5 -0.4 21 21 A N 0 0 103 24,-2.4 24,-0.1 -2,-0.2 -1,-0.1 0.984 360.0 360.0 -69.4 360.0 42.1 -0.1 -2.6 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 0 116 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.1 54.0 13.8 4.4 24 2 B V - 0 0 73 1,-0.1 2,-0.3 -12,-0.1 -11,-0.1 -0.067 360.0-150.8 -49.6 146.4 52.1 16.1 6.8 25 3 B N + 0 0 112 -13,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.601 53.4 106.1-124.0 71.2 51.9 14.9 10.4 26 4 B Q S S- 0 0 100 -2,-0.3 -15,-0.5 -15,-0.2 2,-0.2 -0.906 79.3 -78.5-140.4 166.1 48.6 16.3 11.7 27 5 B H - 0 0 103 -2,-0.3 2,-0.6 -17,-0.1 -20,-0.2 -0.496 44.3-150.7 -66.4 132.4 45.1 15.1 12.5 28 6 B L + 0 0 22 -22,-3.3 2,-0.3 -19,-0.5 -19,-0.1 -0.942 25.3 169.6-112.2 114.4 43.2 14.7 9.3 29 7 B b > - 0 0 49 -2,-0.6 3,-1.9 -22,-0.1 4,-0.3 -0.862 39.5 -15.3-127.3 161.0 39.5 15.2 9.7 30 8 B G T >> S- 0 0 20 -2,-0.3 3,-1.3 1,-0.3 4,-1.0 -0.190 127.9 -8.5 53.7-138.9 36.4 15.6 7.6 31 9 B S H 3> S+ 0 0 43 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.656 130.8 69.4 -63.1 -16.2 36.9 16.4 3.9 32 10 B H H <> S+ 0 0 132 -3,-1.9 4,-1.4 2,-0.2 -1,-0.3 0.841 97.2 49.5 -72.4 -31.6 40.6 16.8 4.7 33 11 B L H <> S+ 0 0 0 -3,-1.3 4,-1.9 -4,-0.3 -1,-0.2 0.844 111.0 51.2 -73.7 -31.7 41.0 13.1 5.4 34 12 B V H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.872 108.9 48.6 -73.2 -37.6 39.2 12.4 2.1 35 13 B E H X S+ 0 0 57 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.855 110.3 53.2 -70.9 -31.6 41.4 14.7 0.0 36 14 B A H X S+ 0 0 11 -4,-1.4 4,-3.1 2,-0.2 5,-0.2 0.917 110.5 46.3 -67.7 -42.4 44.5 13.1 1.7 37 15 B L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.4 0.920 110.4 54.1 -64.4 -42.4 43.2 9.6 0.7 38 16 B Y H X S+ 0 0 12 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.932 116.4 38.1 -55.8 -48.6 42.5 10.9 -2.8 39 17 B L H < S+ 0 0 114 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.981 119.2 45.5 -65.9 -61.0 46.1 12.2 -3.1 40 18 B V H < S+ 0 0 25 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.827 116.7 43.1 -54.0 -41.7 47.8 9.3 -1.4 41 19 B c H >< S+ 0 0 4 -4,-2.8 3,-2.0 -5,-0.2 4,-0.2 0.712 81.9 170.1 -81.9 -23.0 46.0 6.4 -3.0 42 20 B G G >< - 0 0 37 -4,-1.1 3,-1.7 -3,-0.4 -1,-0.2 -0.122 69.8 -2.2 50.0-135.5 46.1 7.9 -6.6 43 21 B E G 3 S+ 0 0 189 1,-0.3 -1,-0.3 60,-0.1 61,-0.2 0.692 124.3 74.2 -60.4 -19.1 45.0 5.5 -9.3 44 22 B R G < S- 0 0 116 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.831 92.1-149.7 -65.1 -29.5 44.5 2.8 -6.6 45 23 B G < - 0 0 0 -3,-1.7 -24,-2.4 -4,-0.2 2,-0.3 -0.132 10.1-127.3 80.0 174.1 41.4 4.5 -5.4 46 24 B F E -AB 20 101A 1 55,-1.9 55,-3.2 -26,-0.3 2,-0.4 -0.939 1.5-123.7-153.2 172.9 40.2 4.3 -1.8 47 25 B F E - B 0 100A 52 -28,-2.1 2,-0.6 -2,-0.3 53,-0.2 -0.993 14.6-165.2-129.7 127.2 37.4 3.5 0.6 48 26 B Y E + B 0 99A 10 51,-3.0 51,-2.5 -2,-0.4 -2,-0.0 -0.912 23.5 153.4-115.4 102.1 36.0 5.9 3.2 49 27 B T + 0 0 38 -2,-0.6 -47,-0.4 49,-0.3 3,-0.4 -0.799 8.9 170.0-132.0 88.3 33.9 4.2 5.8 50 28 B P S S+ 0 0 26 0, 0.0 -46,-0.3 0, 0.0 -47,-0.2 0.933 79.8 35.1 -69.0 -56.7 33.9 6.2 9.1 51 29 B K 0 0 141 45,-0.5 45,-0.1 -50,-0.1 46,-0.0 0.226 360.0 360.0 -83.0 14.3 31.2 4.6 11.3 52 30 B T 0 0 142 -3,-0.4 45,-0.1 44,-0.0 -3,-0.0 0.740 360.0 360.0 19.5 360.0 32.3 1.4 9.7 53 !* 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 54 1 C G > 0 0 50 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 157.1 31.8 5.1 -13.0 55 2 C I H > + 0 0 11 1,-0.2 4,-2.4 47,-0.2 5,-0.2 0.842 360.0 53.6 -61.2 -33.9 31.3 8.2 -10.9 56 3 C V H > S+ 0 0 10 46,-0.3 4,-1.8 48,-0.2 5,-0.3 0.944 108.4 47.8 -67.0 -48.0 34.0 10.0 -12.8 57 4 C H H 4 S+ 0 0 133 48,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.829 120.7 36.7 -64.1 -33.2 32.6 9.3 -16.3 58 5 C Q H X S+ 0 0 71 -4,-1.8 4,-1.6 3,-0.1 3,-0.2 0.925 124.3 37.0 -84.8 -46.3 29.1 10.4 -15.3 59 6 C d H < S+ 0 0 12 -4,-2.4 5,-0.4 -5,-0.2 -3,-0.2 0.552 115.5 50.2 -87.4 -8.8 29.8 13.3 -13.0 60 7 C e T < S+ 0 0 45 -4,-1.8 -1,-0.2 -5,-0.2 -3,-0.1 0.535 112.9 48.1-102.3 -7.7 32.8 14.9 -14.7 61 8 C H T 4 S+ 0 0 159 1,-0.4 2,-0.3 -5,-0.3 -2,-0.2 0.839 128.5 12.3 -92.4 -46.0 31.0 14.9 -18.0 62 9 C S S < S- 0 0 64 -4,-1.6 -1,-0.4 -5,-0.1 2,-0.2 -0.939 93.8 -91.2-131.4 153.0 27.8 16.5 -16.7 63 10 C I - 0 0 160 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.435 37.1-153.9 -67.0 131.3 27.0 18.1 -13.3 64 11 C d - 0 0 18 -5,-0.4 2,-0.1 -2,-0.2 -1,-0.0 -0.937 10.1-140.1-107.7 128.5 25.7 15.7 -10.8 65 12 C S > - 0 0 48 -2,-0.5 4,-2.8 1,-0.1 3,-0.3 -0.338 33.5 -97.3 -80.7 168.7 23.5 17.1 -8.1 66 13 C L H > S+ 0 0 90 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.912 128.3 54.4 -49.8 -43.2 23.7 16.0 -4.4 67 14 C Y H 4 S+ 0 0 175 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.893 109.5 45.3 -60.6 -41.2 20.7 13.7 -5.3 68 15 C Q H >4 S+ 0 0 75 -3,-0.3 3,-1.3 1,-0.2 4,-0.3 0.874 109.9 55.2 -70.0 -36.7 22.6 12.1 -8.2 69 16 C L H >< S+ 0 0 13 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.789 91.4 74.5 -67.1 -25.8 25.8 11.8 -6.1 70 17 C E G >< S+ 0 0 78 -4,-1.6 3,-1.3 1,-0.3 -1,-0.3 0.726 81.5 70.3 -60.3 -21.4 23.9 9.8 -3.5 71 18 C N G < S+ 0 0 112 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.815 93.8 56.1 -66.5 -29.5 23.8 6.8 -5.8 72 19 C Y G < S+ 0 0 66 -3,-1.6 28,-0.6 -4,-0.3 -1,-0.3 0.365 84.9 103.3 -86.2 5.7 27.6 6.3 -5.2 73 20 C f B < C 99 0A 16 -3,-1.3 26,-0.2 26,-0.1 25,-0.1 -0.541 360.0 360.0 -83.9 155.6 27.2 6.1 -1.5 74 21 C N 0 0 111 24,-2.1 25,-0.1 23,-0.2 -1,-0.1 0.806 360.0 360.0 -73.5 360.0 27.5 2.7 0.1 75 !* 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 76 1 D F 0 0 197 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.5 45.0 19.6 -19.1 77 2 D V >> + 0 0 78 1,-0.2 4,-2.2 2,-0.1 3,-0.5 -0.064 360.0 141.8-101.4 35.8 44.2 17.5 -15.9 78 3 D N H 3> S+ 0 0 109 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.788 71.4 48.8 -43.8 -40.3 40.5 18.2 -16.0 79 4 D Q H 3> S+ 0 0 99 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.929 110.8 49.2 -69.0 -45.3 39.6 14.6 -14.9 80 5 D H H <> S+ 0 0 92 -3,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.857 114.1 45.7 -64.3 -36.6 42.1 14.6 -12.0 81 6 D L H X S+ 0 0 78 -4,-2.2 4,-1.4 2,-0.2 3,-0.4 0.937 110.3 52.5 -74.0 -43.9 40.8 17.9 -10.7 82 7 D e H X S+ 0 0 29 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.892 104.2 59.0 -57.3 -39.9 37.1 17.0 -11.1 83 8 D G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.896 99.9 56.4 -56.0 -43.1 37.9 13.8 -9.1 84 9 D S H X S+ 0 0 28 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.2 0.909 110.2 44.1 -56.1 -45.7 39.0 16.0 -6.1 85 10 D H H X S+ 0 0 141 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.914 110.1 57.3 -67.7 -41.1 35.7 17.8 -6.0 86 11 D L H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.941 107.0 45.8 -56.0 -49.9 33.8 14.6 -6.4 87 12 D V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.878 112.1 51.4 -64.4 -34.9 35.3 12.9 -3.4 88 13 D E H X S+ 0 0 44 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.889 111.7 48.5 -66.4 -37.0 34.7 16.0 -1.2 89 14 D A H X S+ 0 0 28 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.873 109.4 51.6 -69.4 -38.7 31.1 16.1 -2.4 90 15 D L H X>S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 5,-0.5 0.891 103.6 59.6 -65.9 -36.4 30.7 12.4 -1.6 91 16 D Y H X5S+ 0 0 64 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.928 113.4 37.5 -54.9 -47.8 32.1 13.1 1.9 92 17 D L H <5S+ 0 0 135 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.901 120.6 44.8 -71.3 -44.2 29.2 15.5 2.5 93 18 D V H <5S+ 0 0 21 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.921 118.3 40.3 -68.8 -45.8 26.5 13.6 0.7 94 19 D f H ><5S+ 0 0 4 -4,-3.1 3,-1.9 -5,-0.2 -3,-0.2 0.831 78.2 166.4 -76.1 -34.7 27.2 10.1 2.1 95 20 D G G ><