==== 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 28-APR-12 4EWW . 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 . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 66.7 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 . 13 12.7 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 4.9 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 . 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 33 0, 0.0 4,-3.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-153.6 17.3 -9.6 -17.9 2 2 A I H > + 0 0 1 47,-0.2 4,-3.2 1,-0.2 5,-0.4 0.835 360.0 52.1 -54.1 -42.3 14.3 -9.3 -15.6 3 3 A V H >>S+ 0 0 30 2,-0.2 5,-2.9 3,-0.2 4,-1.9 0.894 115.7 42.0 -64.3 -44.1 12.4 -6.7 -17.7 4 4 A E H 4>S+ 0 0 83 -3,-0.3 5,-2.7 3,-0.2 -2,-0.2 0.937 120.4 42.5 -63.4 -54.2 12.8 -8.9 -20.8 5 5 A Q H <5S+ 0 0 83 -4,-3.1 -2,-0.2 3,-0.2 -3,-0.2 0.888 131.0 23.5 -53.6 -42.3 12.0 -12.1 -18.9 6 6 A a H <5S+ 0 0 0 -4,-3.2 22,-4.5 -5,-0.3 5,-0.5 0.724 133.2 21.3-110.5 -25.5 9.1 -10.6 -16.9 7 7 A b T <5S+ 0 0 27 -4,-1.9 -3,-0.2 -5,-0.4 22,-0.2 0.792 128.4 36.8-107.8 -58.9 7.6 -7.6 -18.6 8 8 A T T -A 25 0A 24 -2,-0.3 4,-2.1 13,-0.2 13,-0.2 -0.384 32.4-110.4 -83.5 164.6 6.6 -17.2 -13.3 13 13 A L H > S+ 0 0 55 11,-0.7 4,-0.9 1,-0.2 -1,-0.1 0.882 121.3 56.2 -60.2 -41.9 6.9 -16.4 -9.6 14 14 A Y H 4 S+ 0 0 154 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.880 105.9 50.3 -60.7 -41.1 9.7 -19.0 -9.4 15 15 A Q H >4 S+ 0 0 55 1,-0.2 3,-2.4 2,-0.2 4,-0.3 0.913 102.7 60.4 -60.1 -48.1 11.6 -17.0 -12.1 16 16 A L H >< S+ 0 0 2 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.757 93.7 65.4 -52.8 -24.8 11.1 -13.8 -10.2 17 17 A E G >< S+ 0 0 68 -4,-0.9 3,-2.5 -3,-0.4 -1,-0.3 0.784 81.0 79.0 -65.4 -25.5 13.1 -15.5 -7.4 18 18 A N G < S+ 0 0 102 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.775 93.7 51.3 -49.0 -27.7 16.0 -15.5 -9.8 19 19 A Y G < S+ 0 0 29 -3,-1.2 28,-1.9 -4,-0.3 -1,-0.3 0.386 84.3 110.1-101.9 3.9 16.3 -11.8 -8.7 20 20 A c B < B 46 0B 15 -3,-2.5 26,-0.3 26,-0.2 25,-0.1 -0.448 360.0 360.0 -66.1 145.7 16.3 -12.4 -4.9 21 21 A N 0 0 113 24,-2.1 -1,-0.1 80,-0.2 23,-0.0 -0.383 360.0 360.0 -75.1 360.0 19.5 -11.7 -3.1 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 0 195 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0-147.1 1.0 -20.7 -10.1 24 2 B V - 0 0 85 -13,-0.1 -11,-0.7 2,-0.0 2,-0.4 -0.754 360.0-124.0-128.8 168.6 1.0 -18.5 -13.3 25 3 B N E +A 12 0A 89 -2,-0.2 2,-0.2 -13,-0.2 -13,-0.2 -0.987 37.9 163.1-113.8 119.4 3.0 -16.4 -15.7 26 4 B Q E -A 11 0A 109 -15,-1.1 -15,-1.5 -2,-0.4 2,-0.6 -0.761 46.7 -89.7-117.9 171.5 1.8 -12.8 -16.3 27 5 B H - 0 0 119 -2,-0.2 2,-0.6 -17,-0.2 -20,-0.3 -0.740 42.3-169.2 -79.9 121.2 3.4 -9.6 -17.7 28 6 B L + 0 0 10 -22,-4.5 2,-0.4 -2,-0.6 -20,-0.1 -0.907 11.7 173.0-123.7 108.7 5.1 -7.8 -14.9 29 7 B b > - 0 0 53 -2,-0.6 3,-1.4 -22,-0.2 4,-0.3 -0.894 43.4 -38.5-121.0 139.4 6.3 -4.3 -15.7 30 8 B G T 3> S+ 0 0 17 -2,-0.4 4,-1.6 1,-0.3 3,-0.5 -0.236 126.2 6.3 63.1-126.4 7.8 -1.4 -13.9 31 9 B S H 3> S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.825 132.4 55.8 -64.3 -33.3 6.4 -0.7 -10.4 32 10 B H H <> S+ 0 0 128 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.818 103.2 55.5 -62.1 -37.5 4.4 -3.9 -10.6 33 11 B L H > S+ 0 0 0 -3,-0.5 4,-2.6 -4,-0.3 -2,-0.2 0.958 110.0 44.4 -58.3 -52.2 7.5 -5.9 -11.3 34 12 B V H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.756 110.1 56.3 -67.7 -28.4 9.2 -4.6 -8.1 35 13 B E H X S+ 0 0 61 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.956 110.3 45.5 -59.2 -52.3 5.9 -5.3 -6.2 36 14 B A H X S+ 0 0 18 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.881 111.5 50.4 -61.4 -45.8 6.1 -8.9 -7.3 37 15 B L H X>S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.7 0.874 109.8 52.9 -56.3 -40.1 9.8 -9.1 -6.5 38 16 B Y H X5S+ 0 0 57 -4,-1.7 4,-1.5 3,-0.2 -2,-0.2 0.900 111.9 45.0 -61.2 -47.3 8.9 -7.7 -3.1 39 17 B L H <5S+ 0 0 140 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.917 119.6 39.7 -58.3 -60.0 6.3 -10.4 -2.6 40 18 B V H <5S+ 0 0 31 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.927 128.8 28.7 -59.3 -47.6 8.5 -13.3 -3.8 41 19 B c H ><5S+ 0 0 5 -4,-2.9 3,-2.0 -5,-0.2 2,-0.3 0.901 78.5 151.9 -87.7 -43.2 11.8 -12.2 -2.2 42 20 B G G >< + 0 0 31 -2,-0.7 3,-1.8 49,-0.2 -47,-0.2 -0.612 11.9 172.8-126.7 73.8 18.4 -4.1 -12.5 50 28 B P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 0.641 81.2 61.3 -54.9 -23.8 16.5 -3.0 -15.6 51 29 B K T 3 0 0 168 45,-0.3 46,-0.1 46,-0.2 47,-0.1 0.769 360.0 360.0 -74.3 -30.9 19.8 -2.4 -17.5 52 30 B T < 0 0 103 -3,-1.8 -1,-0.2 -48,-0.0 -50,-0.1 -0.695 360.0 360.0 112.3 360.0 20.3 -6.1 -16.9 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 52 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-158.9 19.0 -0.0 7.6 55 2 C I H > + 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.871 360.0 54.0 -51.3 -45.9 17.1 2.0 5.0 56 3 C V H > S+ 0 0 18 46,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.937 116.2 35.1 -55.6 -57.0 14.2 -0.5 5.1 57 4 C E H > S+ 0 0 45 1,-0.2 4,-4.5 2,-0.2 5,-0.4 0.917 115.5 57.3 -68.3 -44.2 13.7 -0.3 8.8 58 5 C Q H X S+ 0 0 58 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.897 106.9 46.4 -59.4 -47.4 14.6 3.4 9.0 59 6 C d H < S+ 0 0 0 -4,-2.9 22,-0.8 -5,-0.2 -1,-0.2 0.892 121.7 39.7 -55.3 -40.0 11.9 4.5 6.5 60 7 C e H < S+ 0 0 45 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.880 122.6 37.3 -84.5 -35.9 9.4 2.4 8.3 61 8 C T H < S- 0 0 119 -4,-4.5 -3,-0.2 20,-0.1 -2,-0.2 0.849 138.3 -8.7 -85.2 -40.0 10.4 3.0 12.0 62 9 C S S < S- 0 0 63 -4,-2.0 2,-0.3 -5,-0.4 19,-0.1 0.086 103.7 -56.6-115.8-117.1 11.2 6.7 11.6 63 10 C I - 0 0 82 17,-0.1 2,-0.4 -2,-0.1 17,-0.2 -0.888 36.4-151.0-140.4 177.4 11.5 8.7 8.4 64 11 C d B -E 79 0C 0 15,-1.9 15,-3.6 -2,-0.3 2,-0.3 -0.999 8.9-139.1-158.6 116.4 13.3 8.6 5.2 65 12 C S >> - 0 0 21 -2,-0.4 4,-2.0 13,-0.2 3,-0.8 -0.702 23.3-127.7 -85.2 144.3 14.5 11.1 2.6 66 13 C L H 3> S+ 0 0 31 11,-0.5 4,-1.3 -2,-0.3 -1,-0.1 0.840 113.5 60.4 -52.6 -30.2 14.2 10.5 -1.1 67 14 C Y H 34 S+ 0 0 138 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.820 102.4 48.6 -71.1 -37.3 18.0 11.4 -1.1 68 15 C Q H X4 S+ 0 0 65 -3,-0.8 3,-1.4 2,-0.2 -1,-0.2 0.886 109.9 52.5 -63.1 -46.8 18.8 8.5 1.3 69 16 C L H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.803 97.7 67.6 -55.9 -32.8 16.8 6.1 -1.0 70 17 C E G >< S+ 0 0 86 -4,-1.3 3,-0.9 1,-0.3 -1,-0.3 0.716 86.2 68.1 -68.3 -18.9 18.9 7.4 -3.9 71 18 C N G < S+ 0 0 115 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.642 95.2 59.3 -66.7 -12.9 21.9 5.7 -2.3 72 19 C Y G < S+ 0 0 54 -3,-2.0 28,-2.0 -4,-0.2 -1,-0.2 0.436 78.2 107.3-106.1 -1.0 20.1 2.4 -3.1 73 20 C f B < D 99 0B 15 -3,-0.9 26,-0.3 26,-0.2 25,-0.1 -0.537 360.0 360.0 -66.1 142.5 20.0 2.9 -6.9 74 21 C N 0 0 107 24,-2.0 23,-0.1 -26,-0.3 -1,-0.1 -0.352 360.0 360.0 -69.2 360.0 22.3 0.8 -8.8 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 0 185 0, 0.0 2,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 147.3 11.0 16.9 -1.6 77 2 D V - 0 0 114 1,-0.1 -11,-0.5 -12,-0.0 2,-0.1 -0.663 360.0 -91.9-104.2 161.9 9.6 15.9 1.8 78 3 D N - 0 0 94 -2,-0.2 2,-0.3 -13,-0.1 -13,-0.2 -0.342 43.7-134.7 -74.4 157.2 10.6 13.1 4.1 79 4 D Q B -E 64 0C 44 -15,-3.6 -15,-1.9 -2,-0.1 2,-0.5 -0.799 18.1-156.0-122.1 151.1 8.9 9.8 3.8 80 5 D H + 0 0 120 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.931 33.4 174.0-122.8 104.9 7.5 7.2 6.1 81 6 D L + 0 0 19 -22,-0.8 2,-0.4 -2,-0.5 -20,-0.1 -0.942 9.8 175.1-131.3 120.2 7.6 4.0 4.0 82 7 D e > - 0 0 44 -2,-0.5 3,-1.5 -23,-0.1 4,-0.1 -0.912 52.3 -22.5-125.7 145.8 6.8 0.5 5.0 83 8 D G T >> S- 0 0 28 -2,-0.4 3,-1.8 1,-0.3 4,-0.8 -0.284 128.7 -4.9 60.7-139.7 6.7 -2.8 3.1 84 9 D S H 3> S+ 0 0 26 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.651 123.8 74.3 -61.6 -21.1 6.2 -2.6 -0.7 85 10 D H H <> S+ 0 0 116 -3,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.763 94.3 54.1 -63.3 -29.0 5.8 1.3 -0.4 86 11 D L H <> S+ 0 0 1 -3,-1.8 4,-3.4 2,-0.2 -1,-0.2 0.964 108.1 46.5 -65.0 -52.1 9.5 1.4 0.1 87 12 D V H X S+ 0 0 0 -4,-0.8 4,-3.1 1,-0.2 -2,-0.2 0.869 111.5 54.3 -58.6 -42.1 10.1 -0.6 -3.1 88 13 D E H X S+ 0 0 41 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.917 110.7 43.8 -44.1 -57.8 7.7 1.7 -4.8 89 14 D A H X S+ 0 0 10 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.947 113.8 51.5 -62.7 -48.3 9.6 4.8 -3.6 90 15 D L H X S+ 0 0 1 -4,-3.4 4,-2.8 2,-0.2 5,-0.4 0.936 108.7 51.2 -51.3 -50.3 12.8 3.1 -4.6 91 16 D Y H X S+ 0 0 65 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.941 113.5 45.1 -50.7 -56.2 11.4 2.3 -8.1 92 17 D L H < S+ 0 0 128 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.938 116.4 45.2 -45.8 -56.8 10.4 6.0 -8.5 93 18 D V H < S+ 0 0 30 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.885 123.2 32.7 -65.0 -38.3 13.7 7.3 -7.2 94 19 D f H >< S+ 0 0 2 -4,-2.8 3,-1.5 -5,-0.2 4,-0.3 0.793 77.7 161.6 -96.1 -32.0 16.0 5.0 -9.2 95 20 D G G >< S+ 0 0 28 -4,-2.8 3,-0.9 -5,-0.4 -1,-0.2 -0.255 72.4 11.1 51.5-113.9 14.0 4.5 -12.4 96 21 D E G 3 S+ 0 0 135 1,-0.3 -45,-0.3 -46,-0.1 -1,-0.3 0.830 129.3 53.8 -71.5 -35.5 16.3 3.1 -15.1 97 22 D R G < S- 0 0 81 -3,-1.5 -1,-0.3 1,-0.2 -46,-0.2 0.749 94.7-160.7 -62.3 -27.2 19.3 2.3 -12.8 98 23 D G < - 0 0 0 -3,-0.9 -24,-2.0 -4,-0.3 2,-0.3 -0.217 7.7-124.4 60.7-160.8 17.0 0.3 -10.6 99 24 D F E -CD 48 73B 0 -51,-1.2 -51,-3.8 -26,-0.3 2,-0.5 -0.910 8.5-100.9-163.9 171.4 18.1 -0.5 -7.1 100 25 D F E -C 47 0B 66 -28,-2.0 2,-0.7 -2,-0.3 -53,-0.2 -0.985 23.7-153.6-116.3 127.5 18.8 -3.1 -4.5 101 26 D Y E +C 46 0B 10 -55,-2.8 -55,-1.7 -2,-0.5 -80,-0.2 -0.897 23.4 170.9 -96.3 112.5 16.2 -3.7 -1.8 102 27 D T - 0 0 55 -2,-0.7 -46,-0.4 -57,-0.2 -47,-0.2 -0.768 7.2-177.3-133.0 90.0 18.0 -5.0 1.1 103 28 D P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.286 37.4 -98.4 -71.9 164.5 16.1 -5.4 4.5 104 29 D K 0 0 141 -50,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.562 360.0 360.0 -70.0 150.5 17.7 -6.6 7.8 105 30 D T 0 0 139 -2,-0.2 0, 0.0 -3,-0.1 0, 0.0 0.196 360.0 360.0 19.8 360.0 16.9 -10.3 8.3