==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 29-APR-12 4EWZ . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.FAVERO-RETTO,L.C.PALMIERI,L.M.T.R.LIMA . 100 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 66.0 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 . 13 13.0 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 . 5 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 30.0 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 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 . 3 1 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 . 1 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 54 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-177.1 17.1 9.1 0.7 2 2 A I H > + 0 0 3 47,-0.3 4,-3.5 1,-0.2 5,-0.4 0.834 360.0 53.5 -49.7 -38.5 14.3 9.3 -1.8 3 3 A V H >>S+ 0 0 31 2,-0.2 5,-3.0 3,-0.2 4,-2.1 0.897 113.2 41.8 -69.2 -42.3 12.3 6.7 0.3 4 4 A E H 4>S+ 0 0 88 3,-0.2 5,-2.8 4,-0.2 -2,-0.2 0.936 120.9 44.4 -66.6 -44.7 12.7 8.8 3.5 5 5 A Q H <5S+ 0 0 89 -4,-3.3 -2,-0.2 3,-0.2 -3,-0.2 0.973 130.7 19.3 -64.6 -48.8 12.0 12.0 1.5 6 6 A a H <5S+ 0 0 0 -4,-3.5 22,-3.4 -5,-0.2 5,-0.4 0.701 133.6 27.8-106.2 -24.8 9.1 10.6 -0.5 7 7 A b T <5S+ 0 0 29 -4,-2.1 -3,-0.2 -5,-0.4 22,-0.1 0.831 127.5 36.6-102.0 -52.9 7.6 7.6 1.2 8 8 A T T -A 25 0A 17 -2,-0.3 4,-2.2 13,-0.2 13,-0.2 -0.419 31.7-108.5 -86.2 167.2 6.5 17.1 -4.1 13 13 A L H > S+ 0 0 42 11,-0.7 4,-1.4 1,-0.2 -1,-0.1 0.900 124.1 56.3 -57.1 -40.3 6.8 16.3 -7.8 14 14 A Y H 4 S+ 0 0 141 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.902 105.8 49.5 -60.4 -40.0 9.5 19.0 -7.9 15 15 A Q H >4 S+ 0 0 63 1,-0.2 3,-2.3 2,-0.2 4,-0.3 0.904 103.7 60.7 -67.0 -39.9 11.4 17.1 -5.2 16 16 A L H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.819 91.8 67.1 -57.6 -30.4 11.0 13.9 -7.1 17 17 A E G >< S+ 0 0 74 -4,-1.4 3,-1.5 -3,-0.4 -1,-0.3 0.671 80.2 79.2 -59.0 -17.2 13.0 15.6 -10.0 18 18 A N G < S+ 0 0 105 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.731 92.8 52.2 -60.1 -22.6 16.0 15.5 -7.7 19 19 A Y G < S+ 0 0 36 -3,-1.7 28,-2.1 -4,-0.3 -1,-0.3 0.314 85.5 106.0-102.6 4.9 16.3 11.8 -8.7 20 20 A c B < B 46 0B 17 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.476 360.0 360.0 -71.0 159.1 16.2 12.3 -12.4 21 21 A N 0 0 97 24,-2.4 -1,-0.1 79,-0.2 -2,-0.1 -0.482 360.0 360.0 -88.8 360.0 19.3 11.9 -14.4 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 0 184 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0-162.3 1.0 20.6 -7.5 24 2 B V - 0 0 92 -13,-0.1 -11,-0.7 2,-0.0 2,-0.4 -0.644 360.0-123.6-123.1 173.3 0.8 18.4 -4.2 25 3 B N E +A 12 0A 84 -2,-0.2 2,-0.2 -13,-0.2 -13,-0.2 -0.942 37.9 158.3-123.0 115.7 2.7 16.3 -1.7 26 4 B Q E -A 11 0A 84 -15,-0.9 -15,-1.3 -2,-0.4 2,-0.6 -0.632 48.7 -91.9-120.9 172.7 1.7 12.7 -1.1 27 5 B H - 0 0 116 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.823 41.7-170.7 -87.0 128.2 3.4 9.5 0.3 28 6 B L + 0 0 15 -22,-3.4 2,-0.4 -2,-0.6 -20,-0.1 -0.969 12.6 169.7-125.6 110.7 4.9 7.7 -2.6 29 7 B b > - 0 0 49 -2,-0.5 3,-1.7 -22,-0.1 4,-0.5 -0.920 42.4 -24.9-122.5 149.5 6.2 4.3 -1.8 30 8 B G T >> S- 0 0 19 -2,-0.4 4,-1.9 1,-0.3 3,-0.8 -0.157 127.4 -0.5 65.2-138.5 7.5 1.3 -3.6 31 9 B S H 3> S+ 0 0 29 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.758 132.5 61.1 -58.9 -26.9 6.4 0.8 -7.1 32 10 B H H <> S+ 0 0 125 -3,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.858 102.3 51.1 -71.0 -35.7 4.3 4.0 -6.8 33 11 B L H <> S+ 0 0 0 -3,-0.8 4,-2.9 -4,-0.5 -2,-0.2 0.966 111.6 46.3 -59.7 -49.3 7.5 6.0 -6.1 34 12 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 -2,-0.2 0.879 110.2 54.4 -69.6 -31.1 9.2 4.6 -9.2 35 13 B E H X S+ 0 0 54 -4,-2.1 4,-2.3 2,-0.2 -1,-0.3 0.921 109.6 47.6 -62.8 -42.9 6.0 5.2 -11.2 36 14 B A H X S+ 0 0 13 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.911 111.0 50.5 -62.4 -47.8 6.1 8.9 -10.1 37 15 B L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.5 0.906 109.5 51.4 -53.8 -44.5 9.9 9.1 -10.9 38 16 B Y H X S+ 0 0 61 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.933 113.3 46.9 -59.2 -45.3 9.1 7.7 -14.4 39 17 B L H < S+ 0 0 137 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.932 117.8 39.0 -62.2 -48.0 6.4 10.3 -14.7 40 18 B V H < S+ 0 0 28 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.948 129.7 28.2 -70.5 -47.1 8.5 13.2 -13.6 41 19 B c H >< S+ 0 0 4 -4,-2.9 3,-2.0 -5,-0.2 4,-0.2 0.780 77.3 152.0 -87.8 -39.8 11.7 12.3 -15.3 42 20 B G G >< S+ 0 0 19 -4,-2.4 3,-2.1 -5,-0.5 -1,-0.2 -0.055 75.0 15.4 40.6-124.1 10.7 10.3 -18.3 43 21 B E G 3 S+ 0 0 174 1,-0.3 -1,-0.3 58,-0.1 -2,-0.1 0.672 123.5 62.1 -40.9 -34.5 13.3 10.6 -21.1 44 22 B R G < S- 0 0 109 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.842 100.5-147.3 -64.7 -32.9 15.9 12.0 -18.7 45 23 B G < - 0 0 0 -3,-2.1 -24,-2.4 -4,-0.2 2,-0.3 -0.154 11.2-138.3 82.3 174.2 15.7 8.7 -16.8 46 24 B F E -BC 20 100B 0 54,-1.5 54,-3.0 -26,-0.3 2,-0.4 -0.959 6.7-119.4-156.9 170.8 16.2 8.4 -13.1 47 25 B F E - C 0 99B 71 -28,-2.1 2,-0.6 -2,-0.3 52,-0.2 -0.976 12.2-160.1-121.6 139.1 17.8 6.4 -10.4 48 26 B Y E + C 0 98B 11 50,-3.1 50,-1.7 -2,-0.4 25,-0.2 -0.970 22.9 164.7-115.4 109.1 15.8 4.7 -7.7 49 27 B T + 0 0 58 -2,-0.6 -47,-0.3 48,-0.2 -46,-0.2 -0.700 11.4 174.8-137.7 78.8 18.3 4.0 -4.9 50 28 B P 0 0 23 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.744 360.0 360.0 -59.4 -31.5 16.5 3.2 -1.6 51 29 B K 0 0 176 44,-0.5 45,-0.1 45,-0.2 46,-0.1 0.791 360.0 360.0 -67.9 360.0 19.7 2.3 0.3 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 61 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-174.1 19.1 0.2 -24.9 54 2 C I H > + 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.861 360.0 53.3 -65.1 -38.5 17.1 -1.9 -22.5 55 3 C V H > S+ 0 0 14 46,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.913 115.4 39.7 -62.8 -45.6 14.2 0.5 -22.4 56 4 C E H > S+ 0 0 49 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.923 115.7 52.5 -72.9 -39.7 13.9 0.4 -26.2 57 5 C Q H X S+ 0 0 62 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.862 108.1 49.1 -64.3 -41.6 14.6 -3.4 -26.4 58 6 C d H < S+ 0 0 0 -4,-2.5 22,-2.2 -5,-0.2 -1,-0.2 0.813 119.3 39.7 -65.8 -34.5 12.0 -4.4 -23.9 59 7 C e H < S+ 0 0 42 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.1 0.928 124.3 33.7 -84.1 -51.3 9.4 -2.3 -25.6 60 8 C T H < S+ 0 0 108 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.741 139.0 1.1 -75.2 -25.7 10.2 -2.9 -29.3 61 9 C S S < S- 0 0 71 -4,-1.8 2,-0.3 -5,-0.5 19,-0.1 -0.022 98.6 -79.7-127.0-123.0 11.3 -6.5 -28.9 62 10 C I - 0 0 82 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.941 35.9-167.0-145.2 167.2 11.4 -8.5 -25.7 63 11 C d B -E 78 0C 1 15,-2.3 15,-3.4 -2,-0.3 2,-0.3 -0.978 16.1-118.3-153.7 167.5 13.7 -8.8 -22.8 64 12 C S > - 0 0 22 -2,-0.3 4,-2.3 13,-0.2 13,-0.1 -0.691 22.4-123.9-111.9 156.2 14.4 -10.9 -19.8 65 13 C L H > S+ 0 0 34 11,-0.4 4,-2.2 -2,-0.3 5,-0.1 0.838 117.5 60.0 -61.3 -33.4 14.3 -10.3 -16.1 66 14 C Y H 4 S+ 0 0 133 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.916 107.0 43.7 -63.4 -42.8 17.9 -11.5 -16.3 67 15 C Q H >4 S+ 0 0 72 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.878 111.6 54.9 -62.0 -37.1 18.7 -8.5 -18.7 68 16 C L H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.3 -2,-0.2 0.872 97.3 66.1 -67.4 -30.7 16.6 -6.2 -16.5 69 17 C E G >< S+ 0 0 76 -4,-2.2 3,-1.8 1,-0.3 -1,-0.3 0.780 85.3 70.2 -63.4 -23.8 18.8 -7.3 -13.5 70 18 C N G < S+ 0 0 119 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.669 93.9 57.9 -68.2 -15.4 21.8 -5.7 -15.1 71 19 C Y G < S+ 0 0 61 -3,-2.3 28,-2.1 -4,-0.2 -1,-0.3 0.353 82.0 108.2 -97.4 3.1 20.2 -2.3 -14.3 72 20 C f B < D 98 0B 15 -3,-1.8 26,-0.3 26,-0.2 25,-0.1 -0.445 360.0 360.0 -71.9 159.5 19.9 -2.9 -10.7 73 21 C N 0 0 86 24,-2.3 -1,-0.1 -25,-0.2 24,-0.1 -0.386 360.0 360.0 -84.6 360.0 22.2 -1.0 -8.4 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 0 184 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 154.2 11.0 -16.7 -15.8 76 2 D V - 0 0 111 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.685 360.0 -92.1-102.3 161.2 9.5 -15.7 -19.2 77 3 D N - 0 0 106 -2,-0.2 2,-0.4 -13,-0.1 -13,-0.2 -0.342 45.1-138.8 -69.5 152.9 10.6 -13.1 -21.7 78 4 D Q B -E 63 0C 38 -15,-3.4 -15,-2.3 -2,-0.1 2,-0.6 -0.912 18.5-158.7-128.5 142.0 8.9 -9.7 -21.3 79 5 D H + 0 0 124 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.975 32.4 169.4-122.4 110.8 7.5 -7.1 -23.5 80 6 D L + 0 0 21 -22,-2.2 2,-0.3 -2,-0.6 -19,-0.1 -0.974 12.2 177.3-140.7 112.8 7.5 -4.0 -21.5 81 7 D e > - 0 0 44 -2,-0.5 3,-2.1 -22,-0.1 4,-0.2 -0.881 52.6 -23.6-112.7 158.8 6.9 -0.5 -22.5 82 8 D G T >> S- 0 0 25 -2,-0.3 3,-1.3 1,-0.3 4,-1.1 -0.098 129.1 -0.5 50.1-131.5 6.7 2.7 -20.7 83 9 D S H 3> S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.720 122.6 73.2 -61.4 -19.1 6.0 2.5 -17.0 84 10 D H H <> S+ 0 0 122 -3,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.864 95.9 52.1 -67.4 -28.9 5.7 -1.3 -17.2 85 11 D L H <> S+ 0 0 1 -3,-1.3 4,-3.0 2,-0.2 5,-0.2 0.926 107.4 50.0 -70.7 -45.1 9.4 -1.4 -17.6 86 12 D V H X S+ 0 0 0 -4,-1.1 4,-2.7 1,-0.2 -2,-0.2 0.919 111.3 50.9 -61.3 -37.8 10.0 0.7 -14.5 87 13 D E H X S+ 0 0 46 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.915 110.8 47.0 -60.9 -47.4 7.6 -1.6 -12.7 88 14 D A H X S+ 0 0 12 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.915 112.6 50.5 -62.7 -44.0 9.5 -4.8 -13.8 89 15 D L H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.941 108.9 52.0 -60.0 -47.0 12.8 -3.1 -12.8 90 16 D Y H X S+ 0 0 51 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.941 113.6 43.5 -52.5 -49.3 11.4 -2.3 -9.4 91 17 D L H < S+ 0 0 132 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 117.0 46.6 -66.1 -40.9 10.3 -5.9 -8.9 92 18 D V H < S+ 0 0 31 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.892 122.0 33.5 -70.9 -36.4 13.5 -7.4 -10.2 93 19 D f H >< S+ 0 0 5 -4,-3.0 3,-1.9 -5,-0.2 -2,-0.2 0.798 79.4 167.3 -94.2 -32.4 15.8 -5.1 -8.3 94 20 D G G >< S+ 0 0 28 -4,-2.6 3,-2.1 -5,-0.4 -1,-0.2 -0.253 72.1 2.7 56.3-132.4 14.0 -4.5 -5.0 95 21 D E G 3 S+ 0 0 143 1,-0.3 -44,-0.5 -45,-0.1 -1,-0.3 0.605 127.6 66.2 -62.3 -18.6 16.1 -2.9 -2.2 96 22 D R G < S- 0 0 72 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.845 92.9-159.4 -68.4 -29.7 19.0 -2.6 -4.7 97 23 D G < - 0 0 0 -3,-2.1 -24,-2.3 -7,-0.2 2,-0.3 -0.193 3.4-130.4 65.6-169.6 17.1 -0.2 -6.7 98 24 D F E -CD 48 72B 0 -50,-1.7 -50,-3.1 -26,-0.3 2,-0.4 -0.952 5.8-110.0-160.9 168.8 17.9 0.5 -10.3 99 25 D F E -C 47 0B 64 -28,-2.1 2,-0.6 -2,-0.3 -52,-0.2 -0.980 18.0-153.3-119.1 140.7 18.5 3.0 -12.9 100 26 D Y E +C 46 0B 10 -54,-3.0 -54,-1.5 -2,-0.4 -79,-0.2 -0.942 22.2 170.7-108.5 116.8 16.1 3.7 -15.7 101 27 D T - 0 0 65 -2,-0.6 -46,-0.4 -56,-0.2 -47,-0.2 -0.689 6.2-178.3-137.8 87.3 18.0 5.1 -18.7 102 28 D P 0 0 21 0, 0.0 -48,-0.0 0, 0.0 -2,-0.0 -0.357 360.0 360.0 -73.0 155.8 16.1 5.4 -21.9 103 29 D K 0 0 200 -2,-0.1 -58,-0.1 -50,-0.1 0, 0.0 -0.450 360.0 360.0 -58.0 360.0 17.6 6.5 -25.1