==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 23-FEB-12 4AKJ . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.B.STEENSGAARD,G.SCHLUCKEBIER,H.M.STRAUSS,M.NORRMAN,J.K.THO . 100 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 64.0 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 8.0 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 43.0 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+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 0 1 1 0 0 0 0 0 0 0 0 0 2 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 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 173.5 17.1 8.7 12.6 2 2 A I H > + 0 0 5 47,-0.4 4,-2.9 1,-0.2 5,-0.2 0.842 360.0 52.6 -65.4 -38.3 13.8 8.8 10.6 3 3 A V H > S+ 0 0 9 46,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.904 112.8 44.4 -67.6 -40.7 12.2 5.9 12.7 4 4 A E H > S+ 0 0 69 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.939 120.8 40.7 -67.9 -42.3 12.9 7.7 16.0 5 5 A Q H X S+ 0 0 61 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.921 126.8 29.9 -70.4 -43.0 11.8 11.1 14.6 6 6 A a H < S+ 0 0 11 -4,-2.9 5,-0.4 -5,-0.2 -3,-0.2 0.478 114.4 52.5-111.7 -3.4 8.8 9.9 12.7 7 7 A b H < S+ 0 0 39 -4,-1.6 -1,-0.2 -5,-0.2 -3,-0.1 0.463 110.1 48.9-103.6 -6.1 7.3 6.8 14.3 8 8 A T H < S+ 0 0 115 -4,-0.5 2,-0.3 1,-0.3 -2,-0.2 0.597 128.7 12.9-104.0 -21.8 7.0 8.4 17.8 9 9 A S S < S- 0 0 78 -4,-0.5 2,-0.3 -5,-0.1 -1,-0.3 -0.975 94.0 -90.7-143.3 161.4 5.3 11.5 16.4 10 10 A I - 0 0 165 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.538 40.5-143.7 -71.9 126.8 3.7 12.4 13.0 11 11 A a - 0 0 15 -5,-0.4 -5,-0.1 -2,-0.3 -1,-0.0 -0.765 10.9-133.2 -93.8 131.2 6.2 14.0 10.6 12 12 A S > - 0 0 47 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.207 29.6-103.4 -69.8 172.1 5.1 16.7 8.3 13 13 A L H > S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.812 124.7 55.7 -65.3 -30.9 5.9 16.6 4.7 14 14 A Y H 4 S+ 0 0 192 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.909 108.7 46.1 -68.6 -40.6 8.5 19.3 5.4 15 15 A Q H >4 S+ 0 0 74 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.814 109.6 54.4 -71.7 -34.4 10.2 17.1 8.1 16 16 A L H >< S+ 0 0 9 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.778 95.4 69.3 -66.7 -28.2 10.2 14.1 5.8 17 17 A E G >< S+ 0 0 74 -4,-1.1 3,-1.8 1,-0.3 -1,-0.2 0.733 80.3 74.8 -68.5 -18.8 12.0 16.1 3.2 18 18 A N G < S+ 0 0 106 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.698 93.6 56.3 -60.1 -18.1 15.1 16.1 5.4 19 19 A Y G < S+ 0 0 34 -3,-1.8 28,-1.4 -4,-0.1 -1,-0.3 0.247 83.7 107.0-104.2 14.0 15.5 12.5 4.4 20 20 A c B < A 46 0A 10 -3,-1.8 26,-0.3 26,-0.2 25,-0.1 -0.563 360.0 360.0 -82.8 155.9 15.6 13.1 0.6 21 21 A N 0 0 100 24,-2.4 -1,-0.1 79,-0.2 23,-0.1 -0.305 360.0 360.0 -66.0 360.0 18.8 12.9 -1.4 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 0 191 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 80.7 7.4 -5.3 18.4 24 2 B V > + 0 0 94 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.405 360.0 95.7 -95.3 0.9 6.4 -5.1 14.8 25 3 B N H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 87.7 44.0 -59.0 -44.0 5.1 -1.5 15.2 26 4 B Q H > S+ 0 0 105 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.881 111.6 54.4 -67.2 -40.3 8.3 0.1 14.1 27 5 B H H > S+ 0 0 96 -4,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.912 112.8 42.2 -58.9 -42.1 8.5 -2.4 11.2 28 6 B L H X S+ 0 0 98 -4,-2.3 4,-1.4 2,-0.2 3,-0.3 0.892 112.0 54.2 -78.1 -37.2 5.0 -1.4 10.0 29 7 B b H X S+ 0 0 34 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.940 104.6 56.0 -55.4 -45.6 5.7 2.3 10.6 30 8 B G H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.805 100.1 58.9 -57.4 -35.5 8.7 2.0 8.4 31 9 B S H X S+ 0 0 35 -4,-0.9 4,-1.4 -3,-0.3 -1,-0.2 0.921 109.2 43.6 -60.7 -46.4 6.7 0.6 5.6 32 10 B H H X S+ 0 0 123 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.838 109.0 58.3 -66.2 -36.3 4.5 3.7 5.6 33 11 B L H X S+ 0 0 13 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.883 105.2 49.6 -60.9 -44.3 7.6 6.0 5.9 34 12 B V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.872 109.9 50.6 -64.6 -37.2 9.2 4.7 2.7 35 13 B E H X S+ 0 0 71 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.900 112.3 47.7 -63.3 -42.2 5.9 5.2 0.8 36 14 B A H X S+ 0 0 29 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.897 111.0 50.5 -66.1 -40.9 5.7 8.8 2.1 37 15 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.4 0.866 104.9 57.6 -69.0 -34.9 9.4 9.5 1.2 38 16 B Y H X S+ 0 0 18 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.925 113.5 40.1 -56.3 -42.3 8.9 8.2 -2.3 39 17 B L H < S+ 0 0 120 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.919 118.6 45.1 -74.2 -48.9 6.2 10.7 -2.8 40 18 B V H < S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.935 116.6 43.7 -57.0 -51.7 7.9 13.7 -1.0 41 19 B c H >< S+ 0 0 5 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.775 80.7 173.4 -81.9 -30.4 11.3 13.2 -2.6 42 20 B G G >< - 0 0 30 -4,-1.3 3,-1.2 -5,-0.4 -1,-0.2 -0.319 68.9 -1.4 69.5-134.2 10.3 12.6 -6.1 43 21 B E G 3 S+ 0 0 182 1,-0.3 -1,-0.3 58,-0.1 -2,-0.1 0.554 127.3 68.5 -72.3 -8.2 13.1 12.4 -8.7 44 22 B R G < S- 0 0 115 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.771 89.6-159.7 -73.2 -32.6 15.7 13.1 -5.9 45 23 B G < - 0 0 0 -3,-1.2 -24,-2.4 -7,-0.2 2,-0.3 -0.153 7.7-116.2 70.6-175.2 15.0 9.8 -4.4 46 24 B F E -AB 20 100A 0 54,-1.5 54,-3.3 -26,-0.3 2,-0.4 -0.928 3.5-114.6-151.7 167.3 15.9 9.1 -0.8 47 25 B F E - B 0 99A 86 -28,-1.4 2,-0.6 -2,-0.3 52,-0.2 -0.951 19.2-164.0-110.5 135.5 17.9 7.1 1.7 48 26 B Y E + B 0 98A 5 50,-3.2 50,-1.9 -2,-0.4 -2,-0.0 -0.950 20.5 160.8-117.4 107.9 16.2 4.7 4.1 49 27 B T - 0 0 71 -2,-0.6 -47,-0.4 48,-0.2 -46,-0.2 -0.860 28.2-152.8-129.1 97.1 18.5 3.8 7.0 50 28 B P 0 0 26 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.404 360.0 360.0 -65.1 121.4 17.0 2.4 10.2 51 29 B K 0 0 216 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.851 360.0 360.0 -59.1 360.0 19.5 3.4 12.8 52 !* 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 53 1 C G > 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 179.3 19.0 1.9 -12.7 54 2 C I H > + 0 0 8 47,-0.4 4,-2.8 1,-0.2 5,-0.2 0.830 360.0 53.2 -65.5 -35.7 16.3 0.1 -10.7 55 3 C V H > S+ 0 0 10 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.893 112.7 43.6 -70.7 -39.5 13.4 1.7 -12.6 56 4 C E H > S+ 0 0 85 2,-0.2 4,-0.6 1,-0.1 -2,-0.2 0.942 120.8 41.5 -69.1 -43.2 14.9 0.5 -16.0 57 5 C Q H < S+ 0 0 66 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.926 126.4 29.9 -67.9 -42.0 15.8 -3.0 -14.6 58 6 C d H < S+ 0 0 11 -4,-2.8 5,-0.4 -5,-0.2 -3,-0.2 0.493 113.9 53.3-112.7 -3.3 12.6 -3.6 -12.6 59 7 C e H < S+ 0 0 39 -4,-1.5 -1,-0.2 -5,-0.2 -3,-0.1 0.505 110.5 47.9-103.6 -6.8 9.8 -1.8 -14.3 60 8 C T S < S+ 0 0 120 -4,-0.6 2,-0.3 1,-0.3 -2,-0.2 0.560 127.4 17.0-105.6 -17.2 10.3 -3.3 -17.7 61 9 C S S S- 0 0 80 -4,-0.5 -1,-0.3 -5,-0.1 2,-0.3 -0.975 93.8 -92.9-141.6 158.2 10.6 -6.9 -16.2 62 10 C I - 0 0 164 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.484 39.7-146.0 -64.9 120.1 9.6 -8.5 -12.9 63 11 C d - 0 0 18 -5,-0.4 -5,-0.1 -2,-0.3 -1,-0.1 -0.795 11.0-136.1 -92.0 131.1 12.6 -8.4 -10.5 64 12 C S > - 0 0 45 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.199 29.2-101.9 -71.7 174.2 12.8 -11.2 -8.1 65 13 C L H > S+ 0 0 109 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.804 124.0 55.5 -64.2 -28.5 13.6 -10.7 -4.5 66 14 C Y H 4 S+ 0 0 188 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.890 107.2 46.7 -71.2 -43.2 17.2 -11.8 -5.2 67 15 C Q H >4 S+ 0 0 81 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.816 110.8 53.6 -67.9 -34.4 17.7 -9.2 -8.0 68 16 C L H >< S+ 0 0 7 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.773 94.6 69.8 -71.3 -25.9 16.2 -6.5 -5.7 69 17 C E G >< S+ 0 0 82 -4,-1.1 3,-1.6 1,-0.3 -1,-0.2 0.737 82.2 73.5 -68.3 -18.7 18.6 -7.4 -3.0 70 18 C N G < S+ 0 0 119 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.702 92.3 57.1 -59.8 -22.5 21.4 -5.9 -5.2 71 19 C Y G < S+ 0 0 42 -3,-1.9 28,-0.6 -4,-0.1 -1,-0.3 0.252 84.2 104.5 -99.6 10.4 20.0 -2.5 -4.3 72 20 C f B < C 98 0A 11 -3,-1.6 26,-0.2 26,-0.2 25,-0.1 -0.542 360.0 360.0 -82.5 160.5 20.3 -2.8 -0.6 73 21 C N 0 0 107 24,-2.3 -1,-0.1 -2,-0.2 24,-0.1 -0.298 360.0 360.0 -67.9 360.0 23.1 -1.1 1.4 74 !* 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 75 1 D F 0 0 194 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 78.7 3.4 8.4 -18.3 76 2 D V > + 0 0 89 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.379 360.0 95.0 -94.5 0.0 2.6 7.7 -14.7 77 3 D N H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 87.9 44.3 -59.8 -45.5 3.4 4.0 -15.1 78 4 D Q H > S+ 0 0 92 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.881 111.7 54.4 -65.2 -39.6 7.0 4.4 -14.0 79 5 D H H > S+ 0 0 96 -4,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.928 113.3 41.2 -59.6 -44.6 5.8 6.6 -11.1 80 6 D L H X S+ 0 0 98 -4,-2.5 4,-1.4 2,-0.2 3,-0.2 0.884 112.9 53.9 -75.0 -37.8 3.4 3.9 -9.9 81 7 D e H X S+ 0 0 32 -4,-2.5 4,-2.1 -5,-0.2 3,-0.3 0.933 104.8 56.4 -57.1 -44.0 5.9 1.1 -10.5 82 8 D G H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.806 100.4 58.1 -59.7 -34.5 8.4 3.0 -8.4 83 9 D S H X S+ 0 0 31 -4,-1.0 4,-1.4 -3,-0.2 -1,-0.2 0.944 109.5 43.6 -60.1 -48.0 6.0 3.0 -5.5 84 10 D H H X S+ 0 0 126 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.841 109.6 58.0 -66.9 -34.5 5.9 -0.8 -5.5 85 11 D L H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.889 104.8 49.3 -62.1 -44.9 9.6 -1.0 -5.9 86 12 D V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.866 110.7 50.6 -66.0 -33.0 10.3 0.9 -2.7 87 13 D E H X S+ 0 0 53 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.885 111.5 48.9 -66.1 -43.3 7.9 -1.3 -0.8 88 14 D A H X S+ 0 0 27 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.910 111.3 49.0 -62.9 -41.7 9.6 -4.3 -2.1 89 15 D L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.4 0.885 104.4 59.0 -69.8 -35.4 13.0 -3.0 -1.2 90 16 D Y H X S+ 0 0 16 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.922 113.2 40.6 -53.5 -41.4 11.9 -2.1 2.3 91 17 D L H < S+ 0 0 125 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.930 118.3 43.4 -75.8 -50.1 11.1 -5.8 2.8 92 18 D V H < S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.900 117.7 44.2 -59.9 -48.3 14.1 -7.4 1.1 93 19 D f H >< S+ 0 0 5 -4,-2.4 3,-1.8 -5,-0.2 -2,-0.2 0.835 80.3 171.3 -81.4 -32.6 16.7 -5.0 2.6 94 20 D G G >< - 0 0 31 -4,-1.3 3,-1.3 -5,-0.4 -1,-0.2 -0.351 69.7 -4.9 67.4-137.2 15.5 -5.0 6.2 95 21 D E G 3 S+ 0 0 181 1,-0.3 -1,-0.3 -46,-0.1 -2,-0.1 0.523 126.3 72.1 -77.0 -3.2 17.8 -3.4 8.7 96 22 D R G < S- 0 0 108 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.786 88.4-163.4 -68.9 -33.9 20.4 -2.8 6.0 97 23 D G < - 0 0 0 -3,-1.3 -24,-2.3 -7,-0.2 2,-0.3 -0.095 2.7-122.8 70.1-175.0 18.2 -0.2 4.4 98 24 D F E -BC 48 72A 1 -50,-1.9 -50,-3.2 -26,-0.2 2,-0.4 -0.983 4.3-119.0-163.2 157.4 18.6 1.1 1.0 99 25 D F E -B 47 0A 99 -28,-0.6 2,-0.5 -2,-0.3 -52,-0.2 -0.871 22.4-155.6-100.0 137.3 19.1 4.1 -1.3 100 26 D Y E +B 46 0A 5 -54,-3.3 -54,-1.5 -2,-0.4 -79,-0.2 -0.961 24.3 162.1-115.5 109.0 16.4 4.9 -3.8 101 27 D T - 0 0 78 -2,-0.5 -47,-0.4 -56,-0.2 -46,-0.2 -0.850 22.2-159.9-130.8 98.9 17.7 6.9 -6.8 102 28 D P 0 0 27 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.429 360.0 360.0 -65.1 151.9 15.8 7.1 -10.0 103 29 D K 0 0 119 -2,-0.1 -49,-0.0 0, 0.0 0, 0.0 0.838 360.0 360.0 -77.4 360.0 18.1 8.0 -13.0