==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 13-JUN-12 4FKA . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.PRUGOVECKI,I.PULIC,M.TOTH,D.MATKOVIC-CALOGOVIC . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6142.0 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 . 10 9.8 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 . 17 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 2 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 . 3 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 60 0, 0.0 4,-2.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-163.8 -9.6 17.0 13.1 2 2 A I H > + 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.846 360.0 54.8 -60.8 -37.9 -10.4 14.2 10.7 3 3 A V H > S+ 0 0 16 46,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.942 114.9 39.7 -64.7 -42.1 -6.9 12.8 10.6 4 4 A E H > S+ 0 0 50 -3,-0.2 4,-2.9 2,-0.2 3,-0.4 0.904 114.4 53.5 -72.3 -43.4 -6.8 12.4 14.3 5 5 A Q H X S+ 0 0 62 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.907 106.9 50.7 -56.2 -51.5 -10.4 11.2 14.6 6 6 A a H < S+ 0 0 0 -4,-2.5 22,-2.0 -5,-0.2 5,-0.2 0.812 117.6 40.6 -61.2 -29.5 -10.0 8.4 12.1 7 7 A b H < S+ 0 0 43 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.857 123.1 34.5 -89.0 -41.1 -6.9 7.2 13.9 8 8 A T H < S+ 0 0 121 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.759 137.6 1.2 -87.3 -21.8 -7.9 7.5 17.6 9 9 A S S < S- 0 0 71 -4,-2.3 2,-0.3 -5,-0.4 19,-0.1 -0.023 98.1 -76.1-127.3-128.9 -11.5 6.7 17.1 10 10 A I - 0 0 86 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.948 35.8-166.6-137.0 163.2 -13.4 5.8 14.0 11 11 A a B -A 26 0A 1 15,-2.2 15,-2.7 -2,-0.3 2,-0.2 -0.978 16.1-123.2-146.3 160.0 -14.7 7.7 11.0 12 12 A S > - 0 0 21 -2,-0.3 4,-2.1 13,-0.2 5,-0.1 -0.659 24.1-119.0-100.7 160.7 -17.0 7.2 8.1 13 13 A L H > S+ 0 0 35 11,-0.4 4,-1.7 -2,-0.2 -1,-0.1 0.819 117.2 58.9 -63.9 -28.6 -16.5 7.4 4.3 14 14 A Y H > S+ 0 0 142 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.865 104.6 48.6 -70.3 -38.7 -19.1 10.2 4.4 15 15 A Q H >4 S+ 0 0 75 1,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.931 110.0 52.6 -64.2 -41.6 -17.1 12.2 6.8 16 16 A L H >< S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.3 -2,-0.2 0.851 96.6 67.7 -60.1 -34.9 -14.0 11.6 4.6 17 17 A E H >< S+ 0 0 80 -4,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.749 84.3 71.9 -61.7 -24.7 -15.9 12.9 1.6 18 18 A N T << S+ 0 0 128 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.639 93.6 57.0 -63.2 -14.9 -16.0 16.4 3.2 19 19 A Y T < S+ 0 0 83 -3,-2.4 28,-2.2 -4,-0.2 -1,-0.3 0.364 82.0 108.3 -97.0 -1.4 -12.2 16.6 2.4 20 20 A c B < B 46 0B 18 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.477 360.0 360.0 -68.8 152.0 -12.6 16.0 -1.4 21 21 A N 0 0 111 24,-1.9 25,-0.2 23,-0.3 -1,-0.1 0.160 360.0 360.0 -85.7 360.0 -12.1 19.0 -3.7 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,-0.2 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0 152.7 -20.3 1.3 4.0 24 2 B V - 0 0 107 1,-0.1 -11,-0.4 -12,-0.1 2,-0.1 -0.500 360.0 -99.4 -92.4 157.7 -18.6 0.4 7.2 25 3 B N - 0 0 102 -2,-0.2 2,-0.3 -13,-0.1 -13,-0.2 -0.329 42.0-132.9 -71.5 163.5 -16.9 2.7 9.6 26 4 B Q B -A 11 0A 43 -15,-2.7 -15,-2.2 -2,-0.1 2,-0.5 -0.912 21.0-160.6-128.9 142.1 -13.1 3.0 9.5 27 5 B H + 0 0 125 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.2 -0.975 34.7 169.9-121.2 107.2 -10.1 3.0 11.8 28 6 B L + 0 0 19 -22,-2.0 2,-0.3 -2,-0.5 -19,-0.1 -0.975 11.0 174.6-133.8 120.4 -7.4 4.7 9.7 29 7 B b > - 0 0 46 -2,-0.4 3,-1.8 -22,-0.1 4,-0.3 -0.876 52.7 -23.3-120.1 153.8 -4.0 5.9 10.7 30 8 B G T >> S- 0 0 28 -2,-0.3 3,-1.1 1,-0.3 4,-0.9 -0.214 128.7 -1.8 53.0-136.3 -1.1 7.3 8.8 31 9 B S H 3> S+ 0 0 30 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.689 123.6 72.2 -65.0 -20.1 -0.9 6.5 5.1 32 10 B H H <> S+ 0 0 126 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.865 94.1 54.7 -64.3 -32.6 -4.0 4.4 5.3 33 11 B L H <> S+ 0 0 1 -3,-1.1 4,-2.5 -4,-0.3 -1,-0.2 0.914 107.2 49.1 -66.0 -41.6 -6.1 7.5 5.7 34 12 B V H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.891 107.8 54.1 -71.1 -30.3 -4.7 9.0 2.6 35 13 B E H X S+ 0 0 50 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.902 110.3 48.3 -57.9 -43.2 -5.4 5.8 0.7 36 14 B A H X S+ 0 0 11 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.921 110.2 50.2 -65.0 -44.7 -9.0 6.0 1.9 37 15 B L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.900 109.1 53.3 -58.2 -43.4 -9.2 9.7 0.8 38 16 B Y H X S+ 0 0 63 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.930 112.1 43.9 -57.1 -48.4 -7.9 8.7 -2.6 39 17 B L H < S+ 0 0 133 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.888 116.4 45.8 -64.0 -46.7 -10.5 6.1 -3.0 40 18 B V H < S+ 0 0 31 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.912 121.7 35.6 -62.2 -44.2 -13.4 8.2 -1.8 41 19 B c H >< S+ 0 0 4 -4,-2.7 3,-2.1 -5,-0.2 -2,-0.2 0.786 79.0 168.7 -89.2 -30.9 -12.5 11.3 -3.7 42 20 B G G >< S- 0 0 30 -4,-2.2 3,-2.4 -5,-0.4 -1,-0.2 -0.173 73.2 -2.3 57.9-136.8 -11.2 9.9 -6.9 43 21 B E G 3 S+ 0 0 150 1,-0.3 61,-0.4 60,-0.1 -1,-0.3 0.657 124.0 73.8 -66.7 -10.6 -10.8 12.5 -9.7 44 22 B R G < S- 0 0 84 -3,-2.1 -1,-0.3 1,-0.1 -23,-0.3 0.756 92.8-150.5 -71.4 -22.2 -12.2 15.2 -7.4 45 23 B G < - 0 0 0 -3,-2.4 -24,-1.9 -7,-0.2 2,-0.3 -0.047 9.0-132.6 71.8 179.2 -8.9 15.2 -5.4 46 24 B F E -BC 20 101B 0 55,-2.1 55,-2.9 -26,-0.3 2,-0.4 -0.985 6.2-115.4-160.7 169.3 -8.6 16.0 -1.8 47 25 B F E - C 0 100B 74 -28,-2.2 2,-0.6 -2,-0.3 53,-0.2 -0.963 17.7-157.5-116.5 133.5 -6.8 17.8 1.0 48 26 B Y E + C 0 99B 10 51,-2.9 51,-1.8 -2,-0.4 26,-0.2 -0.950 21.3 168.5-108.2 112.7 -4.9 16.0 3.7 49 27 B T - 0 0 82 -2,-0.6 -46,-0.4 49,-0.2 -47,-0.1 -0.708 9.9-173.8-139.4 86.7 -4.6 18.3 6.8 50 28 B P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.346 37.3 -95.9 -62.9 156.4 -3.3 16.9 10.0 51 29 B K 0 0 137 -50,-0.1 47,-0.1 -2,-0.1 0, 0.0 -0.458 360.0 360.0 -66.4 144.2 -3.3 18.9 13.1 52 30 B T 0 0 178 -2,-0.2 -1,-0.0 -3,-0.1 45,-0.0 -0.654 360.0 360.0-103.4 360.0 0.1 20.5 13.9 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 36 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 157.7 -0.6 20.2 -12.1 55 2 C I H 3> + 0 0 2 1,-0.2 4,-2.9 47,-0.2 5,-0.5 0.700 360.0 56.9 -58.4 -34.0 0.8 17.2 -10.4 56 3 C V H 3>>S+ 0 0 27 49,-0.3 5,-3.0 1,-0.2 4,-2.0 0.946 111.6 44.1 -68.6 -40.5 -0.4 14.3 -12.7 57 4 C E H <4>S+ 0 0 98 -3,-0.5 5,-1.9 1,-0.2 -1,-0.2 0.897 120.4 42.4 -66.6 -43.7 1.2 15.7 -15.8 58 5 C Q H <5S+ 0 0 96 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.857 131.7 18.6 -66.8 -44.7 4.4 16.6 -13.8 59 6 C d H <5S+ 0 0 2 -4,-2.9 22,-2.5 -5,-0.2 5,-0.4 0.645 132.3 30.0-110.8 -26.0 4.7 13.4 -11.8 60 7 C e T <5S+ 0 0 25 -4,-2.0 -3,-0.2 -5,-0.5 -4,-0.1 0.811 127.6 34.0-101.8 -53.6 2.7 10.6 -13.4 61 8 C T T - 0 0 26 -2,-0.3 4,-1.9 13,-0.1 5,-0.1 -0.468 33.6-108.1 -85.9 163.6 11.7 14.3 -8.0 66 13 C L H > S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.849 122.6 58.4 -59.0 -38.1 10.8 14.1 -4.3 67 14 C Y H >4 S+ 0 0 187 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.911 104.0 49.6 -58.1 -40.0 11.8 17.7 -4.1 68 15 C Q H >4 S+ 0 0 84 1,-0.2 3,-2.0 2,-0.2 -2,-0.2 0.877 102.2 62.2 -68.7 -32.8 9.3 18.6 -6.8 69 16 C L H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.804 89.6 70.1 -60.0 -30.6 6.6 16.7 -4.9 70 17 C E G X< S+ 0 0 79 -4,-1.0 3,-1.5 -3,-0.6 -1,-0.3 0.686 78.1 79.5 -64.8 -11.8 7.1 19.1 -2.0 71 18 C N G < S+ 0 0 113 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.689 91.6 52.9 -60.3 -21.1 5.5 21.7 -4.3 72 19 C Y G < S+ 0 0 33 -3,-2.0 28,-1.9 -4,-0.2 -1,-0.2 0.298 85.7 106.7-103.6 7.3 2.2 20.2 -3.3 73 20 C f B < D 99 0B 14 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.527 360.0 360.0 -76.5 154.3 2.6 20.4 0.5 74 21 C N 0 0 106 24,-2.1 -1,-0.1 -26,-0.2 24,-0.1 -0.272 360.0 360.0 -86.4 360.0 0.7 22.9 2.5 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 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.2 16.7 9.5 -16.9 77 2 D V + 0 0 97 2,-0.1 2,-0.1 -14,-0.0 -13,-0.0 0.916 360.0 58.1 -86.9 -60.9 16.6 9.4 -13.1 78 3 D N - 0 0 59 1,-0.1 2,-0.2 -15,-0.1 -13,-0.1 -0.350 66.2-129.1 -87.6 165.8 13.2 9.4 -11.6 79 4 D Q - 0 0 151 -15,-0.2 -15,-0.7 -2,-0.1 2,-0.3 -0.543 30.2 -95.2-102.6 168.7 10.1 7.1 -11.9 80 5 D H - 0 0 106 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.630 31.9-159.8 -81.9 143.9 6.5 7.8 -12.6 81 6 D L + 0 0 45 -22,-2.5 2,-0.3 -19,-0.3 -20,-0.1 -0.982 18.2 173.6-129.6 117.1 4.2 8.1 -9.6 82 7 D e > - 0 0 51 -2,-0.5 3,-1.8 -22,-0.1 4,-0.4 -0.938 41.6 -27.8-129.4 144.8 0.5 7.6 -10.3 83 8 D G T >> S+ 0 0 15 -2,-0.3 4,-2.2 1,-0.3 3,-0.5 -0.150 128.3 0.6 61.0-130.1 -2.8 7.4 -8.4 84 9 D S H 3> S+ 0 0 31 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.816 132.4 59.6 -73.3 -19.2 -2.5 6.1 -5.0 85 10 D H H <> S+ 0 0 129 -3,-1.8 4,-1.9 2,-0.2 -1,-0.3 0.876 105.5 51.0 -66.4 -36.1 1.3 5.7 -5.4 86 11 D L H <> S+ 0 0 0 -3,-0.5 4,-2.3 -4,-0.4 -2,-0.2 0.931 110.8 47.1 -64.6 -46.1 1.5 9.5 -6.0 87 12 D V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.871 108.8 54.4 -68.5 -32.5 -0.6 10.2 -2.9 88 13 D E H X S+ 0 0 60 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.901 109.1 49.8 -61.0 -40.9 1.6 7.9 -0.8 89 14 D A H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.909 109.2 50.7 -65.4 -40.0 4.6 9.8 -2.1 90 15 D L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.5 0.921 109.9 50.9 -62.1 -42.5 2.9 13.1 -1.1 91 16 D Y H X S+ 0 0 67 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 110.6 50.0 -60.2 -45.4 2.2 11.7 2.3 92 17 D L H < S+ 0 0 128 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.928 118.1 36.9 -59.7 -47.1 5.9 10.7 2.7 93 18 D V H < S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.851 129.0 30.6 -80.1 -30.5 7.3 14.1 1.7 94 19 D f H >< S+ 0 0 3 -4,-2.6 3,-2.4 -5,-0.2 4,-0.2 0.802 75.8 153.6 -99.4 -37.1 4.7 16.4 3.3 95 20 D G G >< S+ 0 0 14 -4,-2.3 3,-2.3 -5,-0.5 -1,-0.1 -0.082 76.7 9.3 43.9-127.7 3.5 14.4 6.4 96 21 D E G 3 S+ 0 0 134 1,-0.3 -1,-0.3 -47,-0.1 3,-0.1 0.690 121.4 69.5 -60.2 -16.3 2.3 16.8 9.2 97 22 D R G < S- 0 0 119 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.748 99.4-143.0 -68.9 -22.5 2.5 19.8 6.8 98 23 D G < - 0 0 0 -3,-2.3 -24,-2.1 -4,-0.2 2,-0.3 -0.055 15.6-143.7 77.7 171.7 -0.4 18.3 4.9 99 24 D F E -CD 48 73B 0 -51,-1.8 -51,-2.9 -26,-0.3 2,-0.4 -0.975 7.5-121.5-158.3 171.1 -0.9 18.4 1.2 100 25 D F E -C 47 0B 54 -28,-1.9 2,-0.6 -2,-0.3 -53,-0.2 -0.987 10.4-161.8-124.0 139.5 -3.4 18.7 -1.6 101 26 D Y E +C 46 0B 12 -55,-2.9 -55,-2.1 -2,-0.4 -80,-0.2 -0.965 22.5 161.5-115.8 103.4 -4.0 16.2 -4.4 102 27 D T > + 0 0 14 -2,-0.6 3,-1.8 -57,-0.2 -47,-0.2 -0.700 8.8 173.5-129.0 79.1 -5.8 17.9 -7.2 103 28 D P T 3 S+ 0 0 24 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.744 77.3 59.5 -61.5 -29.0 -5.4 15.9 -10.4 104 29 D K T 3 0 0 145 -61,-0.4 -60,-0.1 -48,-0.1 -61,-0.0 0.685 360.0 360.0 -74.8 -16.7 -7.8 18.0 -12.4 105 30 D T < 0 0 122 -3,-1.8 -49,-0.3 0, 0.0 -3,-0.1 -0.517 360.0 360.0 -70.6 360.0 -5.6 21.1 -11.8