==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 07-JAN-09 3FQ9 . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.ZHAO,Z.L.WAN,L.WHITTAKER,B.XU,N.PHILLIPS,P.KATSOYANNIS, . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 65.7 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 . 12 11.8 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 . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 2 1 0 1 0 0 0 2 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 . 4 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 X > 0 0 61 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-169.7 -9.7 17.4 12.6 2 2 A I H > + 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.858 360.0 55.2 -58.0 -39.9 -10.5 14.5 10.2 3 3 A V H > S+ 0 0 17 46,-0.4 4,-0.9 47,-0.3 -1,-0.2 0.934 115.3 39.2 -61.7 -43.8 -6.9 13.2 10.2 4 4 A E H >>S+ 0 0 62 46,-0.5 4,-3.4 48,-0.3 5,-0.5 0.919 115.2 52.5 -71.3 -43.9 -6.9 13.0 14.0 5 5 A Q H X5S+ 0 0 62 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.905 106.2 52.5 -58.8 -46.7 -10.5 11.7 14.2 6 6 A a H <5S+ 0 0 0 -4,-2.6 22,-1.7 -5,-0.2 5,-0.3 0.798 120.9 33.5 -62.4 -28.3 -10.0 8.8 11.8 7 7 A b H <5S+ 0 0 44 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.888 124.8 37.4 -94.7 -48.7 -7.0 7.6 13.8 8 8 A X H <5S- 0 0 137 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.773 138.8 -0.2 -75.2 -28.5 -7.7 8.4 17.4 9 9 A S S < - 0 0 22 -2,-0.3 4,-2.0 13,-0.2 3,-0.3 -0.661 23.9-119.3-105.5 161.5 -16.9 7.4 7.8 13 13 A L H > S+ 0 0 36 11,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.803 116.8 59.6 -65.4 -26.9 -16.3 7.5 4.1 14 14 A Y H 4 S+ 0 0 141 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.861 104.8 48.0 -69.4 -34.8 -19.1 10.2 4.0 15 15 A Q H >4 S+ 0 0 70 -3,-0.3 3,-1.1 1,-0.2 -2,-0.2 0.888 109.1 53.7 -71.6 -38.1 -17.0 12.3 6.4 16 16 A L H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.847 95.8 69.7 -63.5 -32.1 -13.9 11.8 4.2 17 17 A E G >< S+ 0 0 87 -4,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.759 84.2 69.4 -57.5 -26.8 -16.0 13.0 1.2 18 18 A N G < S+ 0 0 127 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.616 94.3 58.3 -69.1 -9.5 -16.0 16.6 2.6 19 19 A Y G < S+ 0 0 61 -3,-2.2 28,-2.3 -4,-0.2 -1,-0.3 0.376 81.3 107.3-102.2 4.6 -12.3 16.7 1.9 20 20 A c B < B 46 0B 14 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.411 360.0 360.0 -76.9 159.3 -12.6 16.1 -1.8 21 21 A N 0 0 75 24,-2.1 24,-0.1 80,-0.2 -1,-0.1 -0.064 360.0 360.0 -95.8 360.0 -12.0 19.0 -4.2 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 0 184 0, 0.0 2,-0.1 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0 151.9 -20.2 1.5 3.8 24 2 B V - 0 0 111 1,-0.1 -11,-0.4 -12,-0.0 2,-0.0 -0.482 360.0 -96.3 -88.5 161.1 -18.5 0.4 7.1 25 3 B N - 0 0 108 -2,-0.1 2,-0.4 -13,-0.1 -13,-0.2 -0.289 43.5-127.4 -72.0 165.6 -16.9 2.9 9.5 26 4 B Q B -A 11 0A 41 -15,-2.9 -15,-2.3 2,-0.1 2,-0.5 -0.914 23.9-168.6-127.8 146.6 -13.2 3.4 9.4 27 5 B H + 0 0 127 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.924 32.0 167.3-124.9 98.3 -10.1 3.4 11.6 28 6 B L + 0 0 21 -22,-1.7 2,-0.3 -2,-0.5 -19,-0.1 -0.965 10.3 173.2-126.8 123.8 -7.4 5.0 9.5 29 7 B b > - 0 0 46 -2,-0.5 3,-1.6 -22,-0.1 4,-0.3 -0.877 53.4 -20.6-123.8 154.4 -3.9 6.2 10.6 30 8 B G T >> S- 0 0 29 -2,-0.3 3,-1.4 1,-0.3 4,-0.8 -0.144 128.4 -2.9 52.7-137.5 -1.0 7.5 8.7 31 9 B S H 3> S+ 0 0 32 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.704 124.2 71.6 -60.9 -21.5 -0.7 6.6 5.0 32 10 B H H <> S+ 0 0 124 -3,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.843 94.4 53.8 -66.4 -30.1 -3.9 4.5 5.2 33 11 B L H <> S+ 0 0 1 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.908 106.9 51.3 -68.3 -40.1 -6.0 7.6 5.6 34 12 B V H X S+ 0 0 0 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.881 108.1 52.2 -63.4 -38.0 -4.4 9.0 2.4 35 13 B E H X S+ 0 0 51 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.903 110.2 49.1 -62.7 -42.0 -5.3 5.8 0.6 36 14 B A H X S+ 0 0 11 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.918 109.9 50.0 -64.2 -45.1 -8.9 6.1 1.7 37 15 B L H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.903 109.1 53.1 -60.5 -41.4 -9.1 9.8 0.6 38 16 B Y H X S+ 0 0 41 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.921 111.9 44.9 -60.4 -43.8 -7.7 8.8 -2.8 39 17 B L H < S+ 0 0 137 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 116.6 45.0 -68.0 -39.8 -10.4 6.1 -3.2 40 18 B V H < S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.881 123.4 33.5 -71.8 -38.5 -13.2 8.3 -2.0 41 19 B c H >< S+ 0 0 5 -4,-2.8 3,-1.9 -5,-0.2 4,-0.3 0.755 78.7 170.9 -93.4 -26.6 -12.3 11.3 -4.0 42 20 B G G >< S- 0 0 24 -4,-2.3 3,-1.5 -5,-0.3 -1,-0.1 -0.190 73.0 -8.8 53.5-137.5 -10.8 9.9 -7.2 43 21 B E G 3 S+ 0 0 125 1,-0.3 61,-0.5 60,-0.1 -1,-0.3 0.619 122.6 78.3 -68.5 -13.5 -10.1 12.5 -10.0 44 22 B R G < S- 0 0 131 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.748 95.6-144.3 -65.8 -22.3 -12.0 15.1 -8.0 45 23 B G < - 0 0 0 -3,-1.5 -24,-2.1 -4,-0.3 2,-0.3 -0.090 14.3-135.5 81.1 174.3 -8.8 15.4 -5.9 46 24 B F E -BC 20 101B 0 55,-2.2 55,-2.7 -26,-0.3 2,-0.5 -0.984 8.0-116.7-161.5 169.4 -8.6 16.0 -2.2 47 25 B F E - C 0 100B 73 -28,-2.3 2,-0.8 -2,-0.3 53,-0.2 -0.974 15.0-158.2-119.3 124.2 -6.9 17.9 0.6 48 26 B Y E + C 0 99B 11 51,-2.6 51,-1.9 -2,-0.5 -2,-0.0 -0.911 23.7 169.1 -99.0 108.7 -5.0 16.0 3.3 49 27 B T - 0 0 40 -2,-0.8 -46,-0.4 49,-0.2 3,-0.3 -0.722 12.9-179.0-131.1 86.2 -4.9 18.5 6.3 50 28 B P S S+ 0 0 10 0, 0.0 -46,-0.5 0, 0.0 -47,-0.3 0.927 80.6 37.3 -43.4 -79.7 -3.7 17.1 9.7 51 29 B K 0 0 193 45,-0.5 46,-0.1 -48,-0.1 -2,-0.0 0.718 360.0 360.0 -53.5 -23.5 -3.9 20.0 12.2 52 30 B T 0 0 89 -3,-0.3 -48,-0.3 -51,-0.0 -49,-0.1 0.131 360.0 360.0 -60.8 360.0 -7.2 21.2 10.6 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 X > 0 0 54 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 172.0 -0.0 19.3 -13.9 55 2 C I H > + 0 0 3 47,-0.3 4,-2.5 1,-0.2 5,-0.4 0.832 360.0 56.6 -62.6 -32.2 1.4 16.9 -11.2 56 3 C V H >>S+ 0 0 46 47,-0.2 4,-2.2 3,-0.2 5,-2.0 0.907 108.7 45.0 -67.8 -41.5 0.1 14.0 -13.2 57 4 C E H 4>S+ 0 0 107 3,-0.2 5,-2.7 2,-0.2 -2,-0.2 0.938 119.3 41.2 -66.6 -47.8 2.0 15.0 -16.3 58 5 C Q H <5S+ 0 0 69 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.854 129.4 26.9 -69.6 -37.8 5.2 15.7 -14.4 59 6 C d H <5S+ 0 0 2 -4,-2.5 22,-3.1 -5,-0.2 5,-0.4 0.772 131.5 27.5 -99.4 -31.6 5.1 12.8 -12.1 60 7 C e T <5S+ 0 0 29 -4,-2.2 -3,-0.2 -5,-0.4 22,-0.1 0.886 128.7 31.9 -98.8 -53.1 3.2 10.0 -13.8 61 8 C X T - 0 0 21 -2,-0.3 4,-1.6 13,-0.2 3,-0.2 -0.527 27.3-116.1 -94.2 161.9 11.7 14.3 -8.0 66 13 C L H > S+ 0 0 37 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.821 119.0 59.5 -65.3 -28.0 10.6 14.2 -4.4 67 14 C Y H 4 S+ 0 0 144 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.882 102.7 50.5 -66.4 -38.2 11.7 17.9 -4.3 68 15 C Q H >4 S+ 0 0 69 1,-0.2 3,-1.4 -3,-0.2 -1,-0.2 0.854 104.6 58.4 -67.7 -32.9 9.1 18.6 -7.0 69 16 C L H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.3 -1,-0.2 0.826 92.6 68.3 -65.0 -30.0 6.5 16.8 -4.9 70 17 C E G >< S+ 0 0 79 -4,-1.2 3,-1.4 1,-0.3 -1,-0.3 0.677 81.4 76.2 -63.0 -17.0 7.2 19.3 -2.1 71 18 C N G < S+ 0 0 119 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.677 94.1 52.7 -66.8 -15.0 5.6 21.9 -4.3 72 19 C Y G < S+ 0 0 33 -3,-2.2 28,-1.7 -4,-0.2 -1,-0.3 0.339 83.7 105.8-104.2 5.7 2.3 20.4 -3.3 73 20 C f B < D 99 0B 14 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.449 360.0 360.0 -78.8 160.2 2.7 20.4 0.4 74 21 C N 0 0 107 24,-2.0 -1,-0.1 -2,-0.1 24,-0.1 -0.364 360.0 360.0 -93.6 360.0 0.7 23.0 2.4 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 0 185 0, 0.0 2,-0.3 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 153.3 17.1 10.7 -4.6 77 2 D V - 0 0 109 -13,-0.1 2,-0.2 0, 0.0 -11,-0.2 -0.944 360.0 -96.1-143.8 164.3 16.1 10.1 -8.2 78 3 D N + 0 0 85 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.580 48.4 163.9 -82.0 144.2 13.2 10.8 -10.6 79 4 D Q B -E 64 0C 90 -15,-1.5 -15,-1.8 -2,-0.2 2,-0.5 -0.945 42.6 -88.2-152.5 169.3 10.6 8.1 -11.1 80 5 D H - 0 0 117 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.3 -0.756 41.1-179.5 -87.0 126.3 7.1 7.4 -12.4 81 6 D L + 0 0 16 -22,-3.1 2,-0.3 -2,-0.5 -20,-0.1 -0.972 7.1 171.2-130.5 115.6 4.4 8.0 -9.7 82 7 D e > - 0 0 49 -2,-0.4 3,-1.9 -22,-0.1 4,-0.5 -0.924 45.6 -28.8-128.6 152.4 0.7 7.4 -10.6 83 8 D G T >> S+ 0 0 21 -2,-0.3 4,-1.6 1,-0.3 3,-0.9 -0.151 128.7 1.1 50.1-130.8 -2.6 7.2 -8.8 84 9 D S H 3> S+ 0 0 32 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.760 131.0 61.5 -61.1 -24.5 -2.4 6.0 -5.2 85 10 D H H <> S+ 0 0 125 -3,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.867 102.5 51.3 -69.8 -34.1 1.4 5.7 -5.5 86 11 D L H <> S+ 0 0 1 -3,-0.9 4,-2.2 -4,-0.5 -2,-0.2 0.922 110.5 47.7 -67.6 -43.8 1.6 9.4 -6.2 87 12 D V H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.869 109.2 53.9 -66.1 -34.4 -0.5 10.2 -3.1 88 13 D E H X S+ 0 0 59 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.905 108.9 50.2 -63.6 -39.6 1.7 7.9 -1.0 89 14 D A H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.910 108.9 50.6 -64.3 -42.4 4.7 9.9 -2.2 90 15 D L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.5 0.903 110.3 50.0 -62.3 -41.0 3.0 13.2 -1.3 91 16 D Y H X S+ 0 0 65 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.917 110.5 50.8 -62.4 -43.8 2.3 11.8 2.2 92 17 D L H < S+ 0 0 132 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.918 118.5 36.1 -59.8 -47.1 5.9 10.7 2.5 93 18 D V H < S+ 0 0 31 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.857 129.1 31.3 -78.0 -35.7 7.4 14.1 1.6 94 19 D f H >< S+ 0 0 4 -4,-2.9 3,-2.1 -5,-0.2 4,-0.2 0.824 76.5 155.6 -93.9 -37.3 4.8 16.3 3.2 95 20 D G G >< S+ 0 0 9 -4,-2.2 3,-1.9 -5,-0.5 -1,-0.1 -0.130 74.8 6.6 48.6-130.2 3.6 14.4 6.2 96 21 D E G 3 S+ 0 0 155 1,-0.3 -45,-0.5 -47,-0.1 -1,-0.3 0.658 121.4 70.9 -56.7 -21.2 2.1 16.7 9.0 97 22 D R G < S- 0 0 127 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.827 99.0-142.7 -66.0 -30.2 2.4 19.7 6.7 98 23 D G < - 0 0 0 -3,-1.9 -24,-2.0 -4,-0.2 2,-0.3 -0.159 16.7-147.7 87.1 170.9 -0.5 18.3 4.7 99 24 D F E -CD 48 73B 0 -51,-1.9 -51,-2.6 -26,-0.3 2,-0.4 -0.958 8.0-120.0-162.6 174.7 -0.8 18.4 0.9 100 25 D F E -C 47 0B 56 -28,-1.7 2,-0.5 -2,-0.3 -53,-0.2 -0.986 10.6-159.9-130.9 142.4 -3.3 18.6 -1.9 101 26 D Y E +C 46 0B 6 -55,-2.7 -55,-2.2 -2,-0.4 -80,-0.2 -0.956 22.0 160.1-122.1 107.2 -3.8 16.2 -4.8 102 27 D T > + 0 0 12 -2,-0.5 3,-1.4 -57,-0.2 -47,-0.3 -0.696 7.6 173.0-132.0 80.1 -5.6 17.8 -7.7 103 28 D P T 3 S+ 0 0 15 0, 0.0 -47,-0.2 0, 0.0 -46,-0.1 0.716 76.5 63.8 -59.2 -25.7 -5.0 15.8 -10.9 104 29 D K T 3 0 0 151 -61,-0.5 -60,-0.1 1,-0.2 -61,-0.0 0.769 360.0 360.0 -71.9 -24.4 -7.5 17.8 -12.9 105 30 D T < 0 0 111 -3,-1.4 -1,-0.2 -49,-0.0 0, 0.0 0.965 360.0 360.0 -69.7 360.0 -5.3 20.9 -12.5