==== 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 06-MAY-12 4F1F . 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 . 101 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 68.3 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 12.9 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 1 1 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 35 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-154.6 17.4 9.7 28.8 2 2 A I H > + 0 0 3 1,-0.2 4,-3.4 2,-0.2 5,-0.5 0.818 360.0 50.1 -43.4 -44.2 14.4 9.3 26.4 3 3 A V H >>S+ 0 0 28 2,-0.2 5,-2.5 3,-0.2 4,-2.0 0.938 115.6 41.1 -69.9 -45.4 12.6 6.8 28.6 4 4 A E H 4>S+ 0 0 80 3,-0.2 5,-2.1 4,-0.2 -2,-0.2 0.927 120.7 44.6 -66.9 -43.0 12.9 9.0 31.7 5 5 A Q H <5S+ 0 0 91 -4,-3.5 -2,-0.2 3,-0.1 -3,-0.2 0.929 129.9 20.1 -64.6 -42.6 12.1 12.1 29.7 6 6 A a H <5S+ 0 0 0 -4,-3.4 22,-3.5 -5,-0.2 5,-0.5 0.639 133.5 27.1-110.5 -19.8 9.1 10.8 27.7 7 7 A b T <5S+ 0 0 27 -4,-2.0 -3,-0.2 -5,-0.5 22,-0.1 0.818 127.1 35.1-107.2 -57.9 7.7 7.7 29.4 8 8 A T T -A 25 0A 24 -2,-0.3 4,-2.1 13,-0.2 13,-0.2 -0.406 34.0-109.1 -81.0 165.9 6.5 17.5 24.0 13 13 A L H > S+ 0 0 59 11,-0.7 4,-1.2 1,-0.2 -1,-0.1 0.878 123.0 57.4 -60.0 -40.2 6.8 16.6 20.2 14 14 A Y H 4 S+ 0 0 151 2,-0.2 4,-0.3 1,-0.2 3,-0.3 0.877 103.9 49.8 -55.5 -44.6 9.6 19.2 20.2 15 15 A Q H >4 S+ 0 0 59 1,-0.2 3,-2.7 2,-0.2 -2,-0.2 0.942 104.9 60.2 -60.2 -42.0 11.6 17.3 23.0 16 16 A L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.798 91.1 67.5 -54.2 -31.5 11.2 14.2 20.9 17 17 A E G >< S+ 0 0 75 -4,-1.2 3,-1.5 -3,-0.3 -1,-0.3 0.734 80.7 78.4 -65.8 -13.4 13.1 15.9 18.1 18 18 A N G < S+ 0 0 114 -3,-2.7 -1,-0.3 -4,-0.3 -2,-0.2 0.702 92.9 52.3 -64.2 -18.4 16.2 15.7 20.3 19 19 A Y G < S+ 0 0 35 -3,-1.9 28,-1.9 -4,-0.2 -1,-0.2 0.259 84.3 106.8-101.1 4.7 16.5 12.0 19.3 20 20 A c B < B 46 0B 17 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.520 360.0 360.0 -73.6 160.2 16.4 12.4 15.6 21 21 A N 0 0 99 24,-2.4 -1,-0.1 80,-0.2 24,-0.1 -0.270 360.0 360.0 -88.3 360.0 19.5 12.0 13.6 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 0 180 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0-121.8 1.0 20.4 20.5 24 2 B V - 0 0 92 -13,-0.1 -11,-0.7 2,-0.0 2,-0.3 -0.795 360.0-116.2-138.2-173.4 0.9 18.6 23.9 25 3 B N E +A 12 0A 80 -2,-0.2 2,-0.2 -13,-0.2 -13,-0.2 -0.986 40.4 157.2-121.2 126.3 2.9 16.6 26.4 26 4 B Q E -A 11 0A 115 -15,-1.1 -15,-1.5 -2,-0.3 2,-0.6 -0.826 49.9 -86.7-131.9 175.2 1.8 12.9 27.1 27 5 B H - 0 0 119 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.2 -0.826 44.1-172.7 -83.8 123.3 3.5 9.7 28.5 28 6 B L + 0 0 11 -22,-3.5 2,-0.4 -2,-0.6 -20,-0.1 -0.977 9.8 171.4-122.7 115.5 5.0 7.9 25.5 29 7 B b >> - 0 0 45 -2,-0.5 3,-0.9 -22,-0.1 4,-0.6 -0.963 45.7 -36.2-131.0 140.3 6.4 4.4 26.3 30 8 B G H >> S+ 0 0 15 -2,-0.4 3,-2.6 1,-0.3 4,-1.8 -0.012 128.3 6.2 44.9-147.5 7.8 1.6 24.2 31 9 B S H 3> S+ 0 0 35 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.800 134.6 53.8 -25.2 -59.2 6.1 1.0 20.8 32 10 B H H <> S+ 0 0 133 -3,-0.9 4,-1.6 1,-0.2 -1,-0.3 0.881 110.6 47.1 -47.8 -44.2 4.1 4.2 21.4 33 11 B L H S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.5 0.912 110.0 53.2 -57.7 -41.4 9.9 9.2 17.1 38 16 B Y H X5S+ 0 0 57 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.934 112.7 45.9 -59.2 -45.3 9.1 7.8 13.7 39 17 B L H <5S+ 0 0 134 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.930 117.2 40.1 -61.3 -52.0 6.5 10.5 13.3 40 18 B V H <5S+ 0 0 27 -4,-3.3 -1,-0.2 1,-0.1 -2,-0.2 0.829 129.0 28.2 -71.1 -33.3 8.5 13.4 14.4 41 19 B c H ><5S+ 0 0 5 -4,-2.5 3,-2.1 -5,-0.3 4,-0.3 0.784 77.2 152.3-102.2 -39.8 11.9 12.5 12.7 42 20 B G G >< + 0 0 29 -2,-0.6 3,-1.7 49,-0.2 -47,-0.2 -0.667 9.1 172.3-132.0 68.6 18.5 4.1 23.2 50 28 B P T 3 S+ 0 0 24 0, 0.0 -46,-0.1 0, 0.0 -1,-0.1 0.737 79.4 63.4 -58.1 -25.4 16.6 3.2 26.4 51 29 B K T 3 0 0 172 45,-0.4 46,-0.1 1,-0.3 47,-0.0 0.754 360.0 360.0 -67.3 -32.6 19.9 2.3 28.4 52 30 B T < 0 0 103 -3,-1.7 -1,-0.3 0, 0.0 -4,-0.0 -0.768 360.0 360.0 142.3 360.0 20.5 6.0 27.7 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 63 0, 0.0 4,-3.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-166.6 19.5 0.1 3.0 55 2 C I H > + 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.833 360.0 57.1 -61.4 -41.4 17.4 -1.9 5.4 56 3 C V H > S+ 0 0 19 46,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.927 115.9 36.9 -58.6 -47.4 14.6 0.6 5.5 57 4 C E H >>S+ 0 0 47 2,-0.2 4,-3.2 1,-0.2 5,-0.6 0.936 114.0 55.1 -76.6 -43.2 14.2 0.4 1.7 58 5 C Q H X5S+ 0 0 61 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.918 105.6 51.6 -56.1 -41.4 14.9 -3.3 1.4 59 6 C d H <5S+ 0 0 0 -4,-2.5 22,-1.8 1,-0.2 -1,-0.2 0.806 118.5 39.1 -66.1 -31.2 12.2 -4.4 3.9 60 7 C e H <5S+ 0 0 46 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.888 122.9 35.9 -83.3 -46.3 9.6 -2.3 2.0 61 8 C T H <5S- 0 0 118 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.792 138.1 -3.0 -82.9 -30.8 10.5 -2.9 -1.6 62 9 C S S < - 0 0 22 -2,-0.3 4,-2.1 13,-0.2 5,-0.1 -0.684 23.5-121.3-103.2 158.0 14.6 -11.1 7.9 66 13 C L H > S+ 0 0 38 11,-0.4 4,-2.0 -2,-0.2 5,-0.1 0.842 116.2 58.6 -60.9 -27.1 14.5 -10.5 11.7 67 14 C Y H 4 S+ 0 0 139 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.859 105.9 46.3 -73.6 -37.5 18.2 -11.5 11.6 68 15 C Q H >4 S+ 0 0 74 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.863 111.5 53.7 -70.1 -35.7 19.0 -8.7 9.2 69 16 C L H >< S+ 0 0 0 -4,-2.1 3,-2.7 1,-0.2 4,-0.3 0.884 97.0 66.1 -58.6 -36.8 16.9 -6.4 11.5 70 17 C E G >< S+ 0 0 81 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.726 85.0 71.7 -64.9 -23.1 18.9 -7.4 14.4 71 18 C N G < S+ 0 0 120 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.654 92.4 58.5 -63.2 -16.5 22.0 -5.7 12.9 72 19 C Y G < S+ 0 0 59 -3,-2.7 28,-1.8 -4,-0.1 -1,-0.2 0.443 80.8 110.2 -97.1 -0.5 20.4 -2.3 13.6 73 20 C f B < D 99 0B 15 -3,-1.4 26,-0.3 -4,-0.3 25,-0.1 -0.370 360.0 360.0 -64.7 154.4 20.1 -2.9 17.4 74 21 C N 0 0 91 24,-2.3 -1,-0.1 -26,-0.2 24,-0.1 -0.305 360.0 360.0 -75.9 360.0 22.4 -0.9 19.7 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 0 180 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 157.6 11.1 -16.9 12.0 77 2 D V - 0 0 107 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.730 360.0 -89.1-115.0 162.3 9.8 -15.9 8.6 78 3 D N - 0 0 101 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.341 43.8-138.7 -73.2 163.5 10.7 -13.2 6.2 79 4 D Q B -E 64 0C 40 -15,-3.1 -15,-2.3 -2,-0.1 2,-0.5 -0.883 18.5-157.9-134.6 142.5 9.0 -9.8 6.5 80 5 D H + 0 0 126 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.2 -0.967 33.6 169.4-120.8 106.3 7.6 -7.2 4.2 81 6 D L + 0 0 23 -22,-1.8 2,-0.3 -2,-0.5 -20,-0.1 -0.969 11.0 171.6-134.5 121.4 7.6 -3.9 6.2 82 7 D e > - 0 0 46 -2,-0.4 3,-1.8 -22,-0.1 4,-0.3 -0.832 52.8 -16.1-121.8 154.3 7.0 -0.4 5.2 83 8 D G T >> S- 0 0 31 -2,-0.3 3,-1.4 1,-0.3 4,-0.8 -0.145 128.2 -5.3 63.9-142.9 6.7 2.8 7.1 84 9 D S H 3> S+ 0 0 30 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.676 124.1 73.4 -59.3 -22.3 6.0 2.7 10.8 85 10 D H H <> S+ 0 0 120 -3,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.873 93.3 55.1 -68.0 -27.1 5.7 -1.2 10.6 86 11 D L H <> S+ 0 0 1 -3,-1.4 4,-2.3 -4,-0.3 -1,-0.2 0.928 107.5 48.9 -67.0 -45.5 9.5 -1.3 10.2 87 12 D V H X S+ 0 0 0 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.899 109.2 53.4 -62.2 -39.5 10.0 0.7 13.4 88 13 D E H X S+ 0 0 50 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.918 109.6 47.8 -57.3 -47.3 7.6 -1.7 15.2 89 14 D A H X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.897 110.7 50.5 -59.4 -45.5 9.6 -4.7 14.1 90 15 D L H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.885 108.7 54.1 -58.4 -41.1 12.9 -3.1 15.1 91 16 D Y H X S+ 0 0 60 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.908 112.5 42.3 -57.3 -45.2 11.3 -2.4 18.5 92 17 D L H < S+ 0 0 132 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.946 117.4 47.2 -71.8 -46.8 10.3 -6.1 19.0 93 18 D V H < S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.863 118.8 36.7 -65.5 -42.6 13.6 -7.4 17.7 94 19 D f H >< S+ 0 0 3 -4,-2.9 3,-1.8 -5,-0.2 -1,-0.2 0.743 80.0 174.5 -87.4 -27.9 16.0 -5.2 19.7 95 20 D G G >< S- 0 0 31 -4,-1.8 3,-2.2 -5,-0.3 -1,-0.2 -0.212 70.1 -5.1 61.5-140.2 14.2 -4.8 23.1 96 21 D E G 3 S+ 0 0 156 1,-0.3 -45,-0.4 -46,-0.1 -1,-0.3 0.638 125.6 72.3 -65.9 -15.9 16.1 -3.0 25.8 97 22 D R G < S- 0 0 109 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.746 91.1-156.1 -65.6 -28.0 19.1 -2.7 23.5 98 23 D G < - 0 0 0 -3,-2.2 -24,-2.3 -7,-0.2 2,-0.3 -0.116 5.7-134.4 69.8-172.9 17.2 -0.1 21.4 99 24 D F E -CD 48 73B 0 -51,-1.8 -51,-2.8 -26,-0.3 2,-0.4 -0.957 6.5-108.2-163.0 171.7 18.1 0.5 17.8 100 25 D F E -C 47 0B 72 -28,-1.8 2,-0.7 -2,-0.3 -53,-0.2 -0.974 19.0-153.2-121.6 138.3 18.8 3.1 15.1 101 26 D Y E +C 46 0B 12 -55,-3.3 -55,-1.8 -2,-0.4 -80,-0.2 -0.910 21.4 170.4-111.2 114.7 16.4 3.8 12.3 102 27 D T - 0 0 55 -2,-0.7 -46,-0.3 -57,-0.2 -47,-0.1 -0.665 7.4-175.6-132.9 83.6 18.2 5.2 9.3 103 28 D P 0 0 26 0, 0.0 -48,-0.0 0, 0.0 -2,-0.0 -0.276 360.0 360.0 -73.9 157.2 16.3 5.5 6.0 104 29 D K 0 0 197 -50,-0.1 -59,-0.1 -59,-0.0 0, 0.0 -0.441 360.0 360.0 -56.6 360.0 17.9 6.6 2.7