==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 03-MAY-11 3RTO . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR A.S.SOARES,M.A.ENGEL,R.STEARNS,S.DATWANI,J.OLECHNO,R.ELLSON, . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 66.7 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 . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 15.7 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 G > 0 0 71 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-165.1 -9.9 17.3 9.9 2 2 A I H > + 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.864 360.0 52.5 -61.0 -44.2 -10.4 14.4 7.4 3 3 A V H > S+ 0 0 17 46,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.948 116.0 42.0 -58.6 -45.5 -6.9 13.1 7.5 4 4 A E H >>S+ 0 0 48 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.943 115.1 48.6 -67.3 -57.2 -7.1 12.9 11.3 5 5 A Q H X5S+ 0 0 73 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.865 108.9 51.4 -45.6 -50.8 -10.6 11.5 11.6 6 6 A a H <5S+ 0 0 0 -4,-2.4 22,-2.0 1,-0.2 5,-0.3 0.776 120.5 36.6 -64.9 -31.6 -10.1 8.6 9.0 7 7 A b H <5S+ 0 0 41 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.873 125.0 33.7 -88.8 -48.9 -7.0 7.5 10.8 8 8 A T H <5S+ 0 0 126 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.842 138.5 5.9 -82.2 -27.2 -7.8 8.1 14.5 9 9 A S S <> - 0 0 23 -2,-0.3 4,-1.8 13,-0.2 3,-0.5 -0.685 26.3-116.1-113.5 160.7 -16.8 7.0 4.8 13 13 A L H 3> S+ 0 0 44 11,-0.4 4,-1.3 1,-0.3 -1,-0.1 0.843 118.6 59.1 -63.1 -29.8 -16.3 7.3 1.1 14 14 A Y H 34 S+ 0 0 136 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.864 103.6 49.9 -68.5 -33.8 -19.1 9.9 1.2 15 15 A Q H X4 S+ 0 0 68 -3,-0.5 3,-1.6 1,-0.2 -2,-0.2 0.884 107.0 56.9 -64.2 -36.5 -17.0 12.0 3.7 16 16 A L H >< S+ 0 0 0 -4,-1.8 3,-2.4 1,-0.3 4,-0.2 0.828 91.5 69.9 -67.0 -29.2 -14.0 11.7 1.4 17 17 A E G >< S+ 0 0 96 -4,-1.3 3,-1.2 1,-0.3 -1,-0.3 0.715 81.9 74.7 -61.9 -18.1 -16.0 13.1 -1.5 18 18 A N G < S+ 0 0 129 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.691 93.4 54.7 -66.2 -13.1 -15.9 16.5 0.4 19 19 A Y G < S+ 0 0 68 -3,-2.4 28,-2.1 -4,-0.2 -1,-0.2 0.410 82.4 107.3-104.9 -0.0 -12.2 16.7 -0.8 20 20 A c B < B 46 0B 18 -3,-1.2 26,-0.3 26,-0.2 25,-0.1 -0.392 360.0 360.0 -72.4 157.9 -12.6 16.3 -4.5 21 21 A N 0 0 93 24,-2.1 -1,-0.1 80,-0.2 24,-0.1 -0.192 360.0 360.0 -92.6 360.0 -12.2 19.2 -6.9 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 0 186 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 149.2 -20.4 1.4 1.1 24 2 B V - 0 0 112 1,-0.1 -11,-0.4 -13,-0.0 -13,-0.1 -0.766 360.0 -87.1-113.4 157.5 -18.8 0.6 4.5 25 3 B N - 0 0 106 -2,-0.3 2,-0.4 -13,-0.1 -13,-0.2 -0.315 45.7-142.3 -63.3 153.1 -16.8 2.8 7.1 26 4 B Q B -A 11 0A 44 -15,-2.7 -15,-2.1 2,-0.1 2,-0.7 -0.960 18.4-153.0-129.0 131.4 -13.0 2.9 6.5 27 5 B H + 0 0 119 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.904 34.3 174.4-100.4 108.0 -10.0 3.0 8.8 28 6 B L + 0 0 19 -22,-2.0 2,-0.4 -2,-0.7 -20,-0.1 -0.925 7.8 172.0-128.2 114.3 -7.5 4.9 6.5 29 7 B b > - 0 0 41 -2,-0.5 3,-1.8 -22,-0.1 4,-0.3 -0.863 50.3 -28.2-119.6 144.7 -4.0 5.9 7.6 30 8 B G T >> S+ 0 0 27 -2,-0.4 4,-1.2 1,-0.3 3,-1.0 -0.168 127.7 0.2 66.1-138.4 -1.1 7.4 5.7 31 9 B S H 3> S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.702 125.7 69.3 -60.1 -21.2 -0.8 6.5 2.0 32 10 B H H <> S+ 0 0 111 -3,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.865 96.8 52.2 -66.8 -33.4 -4.0 4.4 2.2 33 11 B L H <> S+ 0 0 1 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.2 0.916 108.0 50.8 -70.0 -40.0 -6.0 7.5 2.7 34 12 B V H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.883 108.0 52.7 -66.5 -35.1 -4.5 9.1 -0.4 35 13 B E H X S+ 0 0 75 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.888 109.2 50.7 -63.0 -39.3 -5.3 5.9 -2.5 36 14 B A H X S+ 0 0 11 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.917 108.7 50.2 -68.3 -40.1 -8.9 6.2 -1.3 37 15 B L H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 5,-0.5 0.901 109.4 51.7 -59.2 -46.4 -9.1 9.8 -2.4 38 16 B Y H X S+ 0 0 57 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.909 112.1 47.1 -56.0 -45.4 -7.7 9.0 -5.8 39 17 B L H < S+ 0 0 143 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.910 116.9 42.5 -65.1 -46.1 -10.4 6.2 -6.1 40 18 B V H < S+ 0 0 39 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.887 126.2 29.3 -66.0 -41.4 -13.2 8.5 -5.0 41 19 B c H >< S+ 0 0 9 -4,-2.8 3,-1.7 -5,-0.2 -3,-0.2 0.817 78.0 161.5 -96.8 -37.1 -12.3 11.6 -6.9 42 20 B G G >< S+ 0 0 13 -4,-2.2 3,-2.4 -5,-0.5 -1,-0.1 -0.235 73.6 2.6 56.1-134.7 -10.5 10.4 -10.1 43 21 B E G 3 S+ 0 0 158 1,-0.3 61,-0.3 59,-0.1 -1,-0.2 0.667 124.1 70.9 -58.4 -23.8 -10.3 12.9 -12.9 44 22 B R G < S- 0 0 139 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.768 97.8-146.8 -64.2 -26.7 -12.0 15.4 -10.8 45 23 B G < - 0 0 0 -3,-2.4 -24,-2.1 -7,-0.1 2,-0.3 -0.057 10.9-135.4 74.1-180.0 -8.8 15.7 -8.6 46 24 B F E -BC 20 101B 0 55,-2.1 55,-2.7 -26,-0.3 2,-0.4 -0.990 7.9-119.1-164.1 160.7 -8.5 16.3 -4.9 47 25 B F E - C 0 100B 78 -28,-2.1 2,-0.6 -2,-0.3 53,-0.2 -0.942 16.2-157.6-109.6 136.6 -6.7 18.2 -2.2 48 26 B Y E + C 0 99B 10 51,-3.2 51,-1.8 -2,-0.4 26,-0.2 -0.933 24.1 166.5-110.6 109.1 -4.8 16.3 0.5 49 27 B T - 0 0 65 -2,-0.6 -46,-0.3 49,-0.2 2,-0.2 -0.764 14.5-169.6-132.5 86.8 -4.6 18.7 3.5 50 28 B P - 0 0 23 0, 0.0 -2,-0.0 0, 0.0 -48,-0.0 -0.535 29.6-116.4 -69.3 138.9 -3.5 17.3 6.9 51 29 B K 0 0 145 -2,-0.2 47,-0.0 1,-0.1 0, 0.0 -0.166 360.0 360.0 -38.5 165.8 -3.8 19.5 9.9 52 30 B A 0 0 128 45,-0.0 -1,-0.1 0, 0.0 45,-0.0 0.546 360.0 360.0 13.5 360.0 -0.3 20.2 11.3 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 32 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-155.7 0.0 19.8 -16.1 55 2 C I H > + 0 0 3 47,-0.3 4,-2.8 1,-0.2 5,-0.4 0.822 360.0 51.1 -50.4 -44.2 1.2 17.0 -13.8 56 3 C V H >>S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 5,-1.9 0.959 112.8 46.5 -62.3 -48.8 -0.1 14.1 -15.9 57 4 C E H 4>S+ 0 0 95 1,-0.2 5,-1.9 3,-0.2 -2,-0.2 0.909 119.6 40.2 -60.9 -44.9 1.6 15.4 -19.0 58 5 C Q H <5S+ 0 0 71 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.878 129.3 25.4 -68.3 -38.8 4.9 16.0 -17.1 59 6 C d H <5S+ 0 0 0 -4,-2.8 22,-3.6 -5,-0.2 5,-0.4 0.669 130.4 31.2-110.0 -23.2 5.0 12.9 -15.0 60 7 C e T <5S+ 0 0 34 -4,-2.9 -3,-0.2 -5,-0.4 -4,-0.1 0.817 127.2 31.1-104.6 -52.4 3.0 10.3 -16.8 61 8 C T T - 0 0 21 -2,-0.3 4,-1.8 13,-0.2 3,-0.3 -0.532 32.1-109.6 -93.6 164.0 11.9 14.2 -11.2 66 13 C L H > S+ 0 0 43 11,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.901 120.4 59.8 -61.2 -33.3 11.0 14.3 -7.5 67 14 C Y H 4 S+ 0 0 146 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.898 102.3 49.9 -60.0 -40.5 11.9 17.9 -7.6 68 15 C Q H >4 S+ 0 0 59 -3,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.894 105.4 59.3 -64.6 -37.9 9.2 18.6 -10.2 69 16 C L H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.3 -1,-0.2 0.829 91.8 67.9 -59.7 -32.8 6.7 16.8 -7.9 70 17 C E G >< S+ 0 0 77 -4,-1.6 3,-1.4 1,-0.3 -1,-0.3 0.660 81.9 76.7 -57.6 -16.5 7.4 19.2 -5.1 71 18 C N G < S+ 0 0 107 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.663 92.5 53.8 -68.7 -16.3 5.7 21.9 -7.3 72 19 C Y G < S+ 0 0 33 -3,-2.1 28,-2.1 -4,-0.2 -1,-0.3 0.320 81.0 110.9-104.0 9.3 2.4 20.3 -6.3 73 20 C f B < D 99 0B 15 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.491 360.0 360.0 -76.8 148.7 2.9 20.4 -2.5 74 21 C N 0 0 107 24,-1.9 -1,-0.1 -26,-0.2 -2,-0.1 -0.479 360.0 360.0 -76.0 360.0 0.6 22.9 -0.7 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 0 181 0, 0.0 2,-0.3 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 158.3 17.0 11.1 -7.4 77 2 D V - 0 0 101 -13,-0.1 2,-0.5 0, 0.0 -11,-0.4 -0.839 360.0-105.5-122.8 156.7 15.9 9.7 -10.8 78 3 D N - 0 0 91 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.769 43.3-174.5 -78.4 123.5 13.2 10.6 -13.4 79 4 D Q B -E 64 0C 68 -15,-2.1 -15,-1.8 -2,-0.5 2,-0.7 -0.855 33.5-120.1-124.1 154.6 10.2 8.1 -13.4 80 5 D H - 0 0 124 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.842 42.1-175.3 -81.1 119.8 7.0 7.5 -15.5 81 6 D L + 0 0 19 -22,-3.6 2,-0.4 -2,-0.7 -20,-0.1 -0.957 5.7 172.0-128.6 116.0 4.3 8.0 -12.8 82 7 D e > - 0 0 49 -2,-0.5 3,-1.8 -22,-0.1 4,-0.2 -0.911 42.0 -26.6-130.7 151.6 0.7 7.4 -13.5 83 8 D G T >> S- 0 0 23 -2,-0.4 4,-1.4 1,-0.3 3,-0.9 -0.180 127.9 -1.4 54.9-129.1 -2.6 7.1 -11.9 84 9 D S H 3> S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.815 130.3 64.5 -65.9 -26.1 -2.5 6.1 -8.3 85 10 D H H <> S+ 0 0 128 -3,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.867 99.5 52.8 -60.8 -34.4 1.3 5.8 -8.5 86 11 D L H <> S+ 0 0 1 -3,-0.9 4,-2.2 -4,-0.2 -1,-0.2 0.934 109.0 49.1 -66.6 -45.2 1.5 9.5 -9.1 87 12 D V H X S+ 0 0 1 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.898 109.0 51.9 -64.1 -37.1 -0.5 10.2 -6.0 88 13 D E H X S+ 0 0 44 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.876 109.7 51.5 -61.4 -39.6 1.7 7.9 -3.8 89 14 D A H X S+ 0 0 14 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.939 109.0 49.2 -63.7 -44.3 4.7 9.8 -5.1 90 15 D L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.5 0.914 109.9 52.1 -60.6 -41.0 3.1 13.1 -4.1 91 16 D Y H X S+ 0 0 54 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.927 112.6 44.9 -60.8 -44.7 2.3 11.8 -0.7 92 17 D L H < S+ 0 0 141 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 119.0 41.3 -65.7 -42.4 6.0 10.6 -0.2 93 18 D V H < S+ 0 0 29 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.893 128.0 28.8 -73.1 -41.1 7.4 13.9 -1.5 94 19 D f H >< S+ 0 0 4 -4,-3.0 3,-1.9 -5,-0.2 -3,-0.2 0.849 77.7 150.9 -94.8 -40.4 5.0 16.3 0.2 95 20 D G G >< S+ 0 0 21 -4,-2.3 3,-1.7 -5,-0.5 -1,-0.1 -0.168 74.4 15.1 47.8-119.5 3.8 14.5 3.4 96 21 D E G 3 S+ 0 0 162 1,-0.3 -1,-0.3 -47,-0.1 3,-0.1 0.750 123.3 62.2 -61.7 -28.4 2.9 16.9 6.2 97 22 D R G < S- 0 0 119 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.771 99.5-144.9 -66.0 -27.5 2.7 19.9 3.8 98 23 D G < - 0 0 0 -3,-1.7 -24,-1.9 -4,-0.2 2,-0.3 -0.188 12.7-135.3 79.7 177.1 -0.1 18.2 1.9 99 24 D F E -CD 48 73B 0 -51,-1.8 -51,-3.2 -26,-0.3 2,-0.4 -0.968 4.4-121.1-158.4 166.0 -0.6 18.4 -1.9 100 25 D F E -C 47 0B 51 -28,-2.1 2,-0.5 -2,-0.3 -53,-0.2 -0.982 12.0-160.6-121.4 140.6 -3.1 18.9 -4.6 101 26 D Y E +C 46 0B 10 -55,-2.7 -55,-2.1 -2,-0.4 -80,-0.2 -0.959 23.0 161.3-113.5 108.0 -3.8 16.5 -7.4 102 27 D T > + 0 0 24 -2,-0.5 3,-0.9 -57,-0.2 -47,-0.3 -0.767 12.7 174.2-132.8 82.7 -5.5 18.3 -10.3 103 28 D P T 3 S+ 0 0 27 0, 0.0 -46,-0.1 0, 0.0 -1,-0.1 0.652 78.7 62.1 -73.3 -11.8 -5.2 16.4 -13.6 104 29 D K T 3 0 0 163 -61,-0.3 -60,-0.1 -60,-0.1 -59,-0.0 0.808 360.0 360.0 -71.8 -31.9 -7.5 19.0 -15.4 105 30 D A < 0 0 102 -3,-0.9 -50,-0.1 0, 0.0 -3,-0.0 -0.245 360.0 360.0 -65.2 360.0 -5.0 21.7 -14.8