==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 14-OCT-88 3INS . COMPND 2 MOLECULE: INSULIN (CHAIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR A.WLODAWER,H.SAVAGE . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6128.0 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 . 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 G > 0 0 65 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-145.8 -9.9 17.1 13.2 2 2 A I H > + 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.845 360.0 55.9 -63.4 -39.9 -10.5 14.2 10.7 3 3 A V H > S+ 0 0 18 46,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.894 116.3 37.4 -56.5 -50.6 -7.0 12.9 10.6 4 4 A E H >>S+ 0 0 50 -3,-0.3 4,-4.5 2,-0.2 5,-0.5 0.908 115.4 53.7 -68.5 -45.5 -6.9 12.5 14.3 5 5 A Q H X5S+ 0 0 65 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.928 107.7 49.9 -54.7 -50.7 -10.5 11.3 14.6 6 6 A a H <5S+ 0 0 0 -4,-2.8 22,-1.8 1,-0.2 5,-0.2 0.880 121.0 36.1 -59.4 -36.8 -10.1 8.5 12.0 7 7 A b H <5S+ 0 0 44 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.904 122.8 39.5 -84.8 -43.2 -7.0 7.3 13.8 8 8 A T H <5S- 0 0 122 -4,-4.5 -3,-0.2 20,-0.1 -2,-0.2 0.812 137.5 -2.4 -76.9 -35.6 -7.8 7.8 17.5 9 9 A S S < - 0 0 22 -2,-0.3 4,-1.7 13,-0.2 3,-0.5 -0.751 24.2-118.1-112.8 154.5 -17.0 7.0 8.0 13 13 A L H > S+ 0 0 45 11,-0.4 4,-1.5 -2,-0.3 -1,-0.1 0.772 115.6 62.1 -57.0 -36.4 -16.5 7.5 4.3 14 14 A Y H 4 S+ 0 0 138 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.868 104.0 47.2 -62.1 -34.4 -19.3 10.0 4.4 15 15 A Q H >4 S+ 0 0 86 -3,-0.5 3,-1.5 1,-0.2 4,-0.2 0.844 107.2 57.7 -69.9 -37.8 -17.2 12.2 6.7 16 16 A L H >< S+ 0 0 0 -4,-1.7 3,-2.3 1,-0.3 4,-0.2 0.856 93.7 68.4 -61.0 -33.8 -14.1 11.7 4.4 17 17 A E G >< S+ 0 0 77 -4,-1.5 3,-1.3 1,-0.3 -1,-0.3 0.735 83.2 71.4 -61.9 -19.7 -16.2 13.2 1.6 18 18 A N G < S+ 0 0 138 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.698 95.5 55.4 -68.4 -14.1 -16.1 16.5 3.4 19 19 A Y G < S+ 0 0 66 -3,-2.3 28,-1.4 -4,-0.2 -1,-0.2 0.378 82.7 105.8 -93.5 -8.1 -12.3 16.7 2.4 20 20 A c B < B 46 0B 11 -3,-1.3 26,-0.3 -4,-0.2 25,-0.1 -0.485 360.0 360.0 -72.4 161.0 -12.8 16.3 -1.3 21 21 A N 0 0 101 24,-2.9 -1,-0.1 80,-0.2 -2,-0.1 -0.420 360.0 360.0 -76.1 360.0 -12.3 19.3 -3.6 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 0 185 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 163.2 -20.2 1.3 4.1 24 2 B V - 0 0 101 -13,-0.0 -11,-0.4 1,-0.0 2,-0.1 -0.786 360.0 -95.8-118.5 164.0 -18.8 0.5 7.5 25 3 B N - 0 0 123 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.494 45.1-156.2 -78.1 151.4 -16.9 2.8 9.9 26 4 B Q B -A 11 0A 107 -15,-3.0 -15,-2.1 -2,-0.1 2,-0.6 -0.931 20.9-135.2-134.9 159.0 -13.1 2.5 9.7 27 5 B H - 0 0 116 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.973 34.2-178.9-116.4 116.3 -10.1 3.1 11.8 28 6 B L + 0 0 11 -22,-1.8 2,-0.3 -2,-0.6 -19,-0.1 -0.975 6.4 175.6-129.5 118.4 -7.5 4.8 9.6 29 7 B b > - 0 0 43 -2,-0.5 3,-1.7 -22,-0.1 4,-0.3 -0.842 50.0 -28.0-122.3 153.8 -4.0 5.8 10.6 30 8 B G T >> S- 0 0 30 -2,-0.3 3,-1.5 1,-0.3 4,-0.9 -0.050 127.8 -1.1 47.6-127.7 -1.0 7.3 8.7 31 9 B S H 3> S+ 0 0 30 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.771 124.3 72.0 -64.3 -25.2 -0.8 6.5 5.0 32 10 B H H <> S+ 0 0 129 -3,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.852 94.5 52.6 -64.9 -27.9 -3.9 4.4 5.2 33 11 B L H <> S+ 0 0 2 -3,-1.5 4,-1.9 -4,-0.3 -1,-0.2 0.878 107.0 52.2 -70.2 -41.3 -6.1 7.5 5.6 34 12 B V H X S+ 0 0 0 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.824 107.5 52.9 -65.4 -35.3 -4.6 9.1 2.4 35 13 B E H X S+ 0 0 50 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.928 110.0 47.9 -60.9 -49.8 -5.4 5.9 0.5 36 14 B A H X S+ 0 0 14 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.915 111.6 49.5 -55.3 -50.6 -9.1 6.1 1.7 37 15 B L H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 5,-0.5 0.869 109.1 53.3 -58.0 -44.5 -9.3 9.9 0.7 38 16 B Y H X S+ 0 0 58 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.909 112.3 44.8 -59.7 -43.3 -7.9 9.0 -2.7 39 17 B L H < S+ 0 0 131 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.928 117.5 43.7 -66.5 -48.1 -10.6 6.3 -3.2 40 18 B V H < S+ 0 0 36 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.894 124.8 31.2 -65.3 -48.4 -13.4 8.5 -1.9 41 19 B c H >< S+ 0 0 6 -4,-2.8 3,-2.3 -5,-0.2 4,-0.2 0.735 79.2 163.9 -90.8 -32.7 -12.5 11.7 -3.8 42 20 B G G >< S+ 0 0 22 -4,-1.8 3,-2.1 -5,-0.5 -1,-0.1 -0.170 72.9 0.3 54.8-136.7 -10.8 10.4 -6.9 43 21 B E G 3 S+ 0 0 158 1,-0.3 61,-0.3 59,-0.1 -1,-0.3 0.559 123.2 73.5 -64.7 -12.7 -10.5 13.0 -9.7 44 22 B R G < S- 0 0 136 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.816 95.9-147.4 -71.1 -32.7 -12.1 15.6 -7.5 45 23 B G < - 0 0 0 -3,-2.1 -24,-2.9 -4,-0.2 2,-0.3 -0.020 10.3-132.2 83.4 167.5 -8.8 15.7 -5.4 46 24 B F E -BC 20 101B 0 55,-1.5 55,-2.6 -26,-0.3 2,-0.4 -0.936 6.7-121.5-148.7 172.0 -8.5 16.3 -1.7 47 25 B F E - C 0 100B 83 -28,-1.4 2,-0.6 -2,-0.3 53,-0.2 -0.966 18.0-156.6-120.5 132.4 -6.8 18.3 1.1 48 26 B Y E + C 0 99B 11 51,-2.6 51,-1.4 -2,-0.4 26,-0.2 -0.977 20.5 172.9-113.3 110.8 -5.0 16.3 3.7 49 27 B T - 0 0 68 -2,-0.6 -46,-0.4 49,-0.2 -47,-0.1 -0.757 6.0-176.9-132.3 89.8 -4.8 18.6 6.8 50 28 B P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -48,-0.0 -0.250 36.6 -95.1 -72.8 165.8 -3.4 17.0 9.9 51 29 B K 0 0 149 -50,-0.1 47,-0.1 1,-0.1 0, 0.0 -0.614 360.0 360.0 -84.4 144.7 -3.2 18.9 13.2 52 30 B A 0 0 138 -2,-0.3 -1,-0.1 45,-0.1 45,-0.1 -0.577 360.0 360.0 -73.2 360.0 0.1 20.6 14.1 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 31 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-157.8 -0.7 20.0 -12.5 55 2 C I H > + 0 0 1 47,-0.4 4,-2.4 1,-0.2 5,-0.5 0.753 360.0 57.6 -66.0 -30.5 0.9 17.3 -10.4 56 3 C V H >>S+ 0 0 31 49,-0.3 5,-2.6 46,-0.2 4,-1.8 0.922 106.6 47.9 -64.9 -42.4 -0.3 14.5 -12.6 57 4 C E H 4>S+ 0 0 96 -3,-0.3 5,-2.7 3,-0.2 -1,-0.2 0.889 117.2 44.2 -59.9 -42.1 1.4 15.9 -15.7 58 5 C Q H <5S+ 0 0 64 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.820 126.9 22.0 -77.3 -39.3 4.6 16.4 -13.8 59 6 C d H <5S+ 0 0 0 -4,-2.4 22,-2.9 -5,-0.1 5,-0.4 0.702 132.9 27.9-109.4 -19.8 5.0 13.1 -11.8 60 7 C e T <5S+ 0 0 27 -4,-1.8 -3,-0.2 -5,-0.5 22,-0.1 0.822 127.6 34.8-105.6 -55.0 2.9 10.5 -13.6 61 8 C T T - 0 0 16 -2,-0.3 4,-1.8 13,-0.2 3,-0.3 -0.514 30.8-112.6 -89.0 164.8 11.7 14.5 -8.0 66 13 C L H > S+ 0 0 38 11,-0.4 4,-1.5 1,-0.3 -1,-0.1 0.802 121.6 60.9 -67.4 -26.3 10.7 14.4 -4.3 67 14 C Y H 4 S+ 0 0 146 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.883 103.7 48.8 -66.0 -43.4 11.8 18.0 -4.3 68 15 C Q H >4 S+ 0 0 73 -3,-0.3 3,-1.7 1,-0.2 4,-0.3 0.873 105.7 57.0 -63.4 -42.4 9.2 18.7 -6.9 69 16 C L H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.850 93.6 68.7 -58.4 -35.0 6.5 16.9 -4.8 70 17 C E G >< S+ 0 0 67 -4,-1.5 3,-1.2 1,-0.3 -1,-0.3 0.658 81.1 76.1 -59.5 -16.1 7.3 19.2 -1.9 71 18 C N G < S+ 0 0 136 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.716 92.9 53.9 -65.1 -18.8 5.7 22.0 -4.0 72 19 C Y G < S+ 0 0 31 -3,-2.0 28,-1.8 -4,-0.3 -1,-0.2 0.372 81.6 106.4 -98.6 3.2 2.3 20.4 -3.0 73 20 C f B < D 99 0B 8 -3,-1.2 26,-0.3 26,-0.2 25,-0.1 -0.535 360.0 360.0 -76.9 146.1 2.8 20.5 0.8 74 21 C N 0 0 88 24,-1.3 -1,-0.1 23,-0.2 23,-0.1 -0.316 360.0 360.0 -80.2 360.0 0.7 23.2 2.6 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 0 177 0, 0.0 2,-0.3 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 163.9 16.9 11.3 -4.3 77 2 D V - 0 0 96 -13,-0.1 2,-0.4 0, 0.0 -11,-0.4 -0.821 360.0-118.1-119.3 162.3 15.8 9.7 -7.5 78 3 D N + 0 0 109 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.776 43.8 167.0 -88.3 138.9 13.4 10.7 -10.3 79 4 D Q B -E 64 0C 99 -15,-1.9 -15,-1.6 -2,-0.4 2,-0.7 -0.976 43.5-107.1-152.0 160.7 10.4 8.4 -10.8 80 5 D H - 0 0 122 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.875 40.2-176.6 -88.5 117.7 7.0 7.9 -12.5 81 6 D L + 0 0 21 -22,-2.9 2,-0.3 -2,-0.7 -20,-0.1 -0.962 8.7 167.4-123.3 113.0 4.3 8.2 -9.6 82 7 D e > - 0 0 49 -2,-0.5 3,-1.7 -22,-0.1 4,-0.3 -0.928 42.8 -18.3-129.3 153.4 0.7 7.6 -10.5 83 8 D G T >> S- 0 0 24 -2,-0.3 4,-1.3 1,-0.3 3,-0.7 -0.274 127.1 -5.3 58.3-131.9 -2.6 7.1 -8.8 84 9 D S H 3> S+ 0 0 34 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.790 131.2 64.1 -66.2 -23.8 -2.5 6.0 -5.3 85 10 D H H <> S+ 0 0 130 -3,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.834 99.0 55.5 -69.0 -32.4 1.3 5.8 -5.4 86 11 D L H <> S+ 0 0 0 -3,-0.7 4,-1.6 -4,-0.3 -1,-0.2 0.918 108.7 45.2 -67.8 -44.1 1.4 9.5 -6.0 87 12 D V H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.808 109.2 55.0 -71.6 -27.2 -0.5 10.3 -2.9 88 13 D E H X S+ 0 0 56 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.868 108.8 50.1 -68.5 -36.9 1.5 7.9 -0.7 89 14 D A H X S+ 0 0 13 -4,-1.5 4,-2.3 -5,-0.2 5,-0.2 0.921 109.4 50.9 -65.3 -36.2 4.6 9.8 -2.0 90 15 D L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.4 0.921 108.8 51.2 -65.8 -43.9 3.0 13.1 -1.0 91 16 D Y H X S+ 0 0 61 -4,-2.1 4,-2.9 3,-0.2 -2,-0.2 0.944 111.8 48.1 -58.1 -49.4 2.2 11.8 2.4 92 17 D L H < S+ 0 0 142 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.898 118.7 37.9 -58.0 -52.3 5.9 10.7 2.8 93 18 D V H < S+ 0 0 34 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.846 128.8 31.5 -69.3 -36.8 7.4 14.1 1.6 94 19 D f H >< S+ 0 0 6 -4,-2.4 3,-1.9 -5,-0.2 -3,-0.2 0.882 77.3 151.8 -94.4 -44.2 4.8 16.4 3.3 95 20 D G G >< S+ 0 0 22 -4,-2.9 3,-1.5 -5,-0.4 -1,-0.1 -0.098 73.7 12.4 48.6-118.7 3.8 14.5 6.4 96 21 D E G 3 S+ 0 0 157 1,-0.3 -1,-0.3 -47,-0.1 3,-0.1 0.718 122.4 64.3 -67.0 -18.8 2.7 16.9 9.2 97 22 D R G < S- 0 0 146 -3,-1.9 -1,-0.3 1,-0.1 -23,-0.2 0.737 98.8-143.6 -77.7 -21.6 2.5 19.9 6.9 98 23 D G < - 0 0 0 -3,-1.5 -24,-1.3 -7,-0.2 2,-0.2 -0.201 12.5-134.9 79.2 175.1 -0.3 18.3 4.9 99 24 D F E -CD 48 73B 0 -51,-1.4 -51,-2.6 -26,-0.3 2,-0.4 -0.908 5.1-121.5-160.4 166.8 -0.7 18.6 1.2 100 25 D F E -C 47 0B 54 -28,-1.8 2,-0.5 -2,-0.2 -53,-0.2 -0.977 13.1-159.4-124.6 140.3 -3.3 19.2 -1.6 101 26 D Y E +C 46 0B 12 -55,-2.6 -55,-1.5 -2,-0.4 -80,-0.2 -0.974 20.7 167.1-117.0 98.8 -4.0 16.7 -4.4 102 27 D T > + 0 0 22 -2,-0.5 3,-1.4 -57,-0.2 -47,-0.4 -0.826 11.1 175.4-124.0 84.1 -5.6 18.6 -7.2 103 28 D P T 3 S+ 0 0 28 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.769 80.2 58.7 -59.8 -29.7 -5.6 16.5 -10.5 104 29 D K T 3 0 0 164 -61,-0.3 -60,-0.0 -60,-0.1 -59,-0.0 0.558 360.0 360.0 -74.4 -16.8 -7.6 19.2 -12.4 105 30 D A < 0 0 96 -3,-1.4 -49,-0.3 0, 0.0 -3,-0.0 -0.414 360.0 360.0 -74.3 360.0 -5.0 21.8 -11.8