==== 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 01-MAY-12 4EYP . 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) . 5931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 65.7 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 . 3 2.9 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 . 31 30.4 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 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 33 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-163.2 17.6 -9.5 -12.3 2 2 A I H > + 0 0 1 47,-0.3 4,-2.6 1,-0.2 5,-0.5 0.825 360.0 52.4 -56.2 -36.4 14.5 -9.3 -10.1 3 3 A V H >>S+ 0 0 30 2,-0.2 5,-2.8 1,-0.2 4,-2.0 0.910 112.4 45.5 -69.0 -40.3 12.6 -6.8 -12.3 4 4 A E H 4>S+ 0 0 85 -3,-0.4 5,-2.0 3,-0.2 -2,-0.2 0.920 118.2 43.1 -67.1 -42.0 13.1 -9.0 -15.3 5 5 A Q H <5S+ 0 0 90 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.863 130.3 20.6 -70.4 -40.8 12.1 -12.2 -13.4 6 6 A a H <5S+ 0 0 0 -4,-2.6 22,-3.2 -5,-0.2 5,-0.4 0.671 131.5 30.1-110.0 -26.6 9.1 -10.8 -11.5 7 7 A b T <5S+ 0 0 29 -4,-2.0 -3,-0.2 -5,-0.5 -4,-0.1 0.818 127.9 32.9 -97.5 -55.9 7.8 -7.7 -13.1 8 8 A T T -A 25 0A 16 -2,-0.3 4,-2.0 13,-0.2 3,-0.2 -0.467 35.5-107.1 -88.0 167.2 6.6 -17.4 -7.7 13 13 A L H > S+ 0 0 45 11,-0.6 4,-1.2 1,-0.2 -1,-0.1 0.872 122.0 57.8 -66.6 -32.2 7.1 -16.5 -4.0 14 14 A Y H 4 S+ 0 0 141 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.857 104.3 50.4 -62.5 -39.4 9.9 -19.1 -3.9 15 15 A Q H >4 S+ 0 0 60 1,-0.2 3,-1.8 -3,-0.2 4,-0.2 0.893 104.6 58.1 -62.9 -41.5 11.7 -17.2 -6.7 16 16 A L H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.832 94.1 67.1 -56.0 -30.3 11.3 -14.0 -4.7 17 17 A E G >< S+ 0 0 73 -4,-1.2 3,-1.6 1,-0.3 -1,-0.3 0.681 81.8 77.9 -64.7 -18.5 13.2 -15.8 -1.8 18 18 A N G < S+ 0 0 109 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.726 91.4 52.4 -59.3 -22.1 16.2 -15.7 -4.1 19 19 A Y G < S+ 0 0 34 -3,-1.9 28,-2.0 -4,-0.2 -1,-0.2 0.242 85.7 108.9-103.9 11.8 16.6 -12.0 -3.2 20 20 A c B < B 46 0B 18 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.523 360.0 360.0 -78.0 155.6 16.5 -12.5 0.6 21 21 A N 0 0 125 24,-2.0 -1,-0.1 80,-0.2 24,-0.1 -0.263 360.0 360.0 -90.1 360.0 19.6 -12.1 2.7 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 0 191 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 176.1 0.9 -20.4 -4.1 24 2 B V - 0 0 93 -13,-0.1 -11,-0.6 2,-0.0 2,-0.4 -0.771 360.0-117.4-136.5 171.1 0.9 -18.7 -7.5 25 3 B N E +A 12 0A 95 -2,-0.2 2,-0.3 -13,-0.2 -13,-0.2 -0.989 44.4 151.9-114.6 134.6 3.1 -16.9 -10.1 26 4 B Q E -A 11 0A 84 -15,-1.8 -15,-1.9 -2,-0.4 2,-0.6 -0.897 49.3 -84.1-151.1 169.7 2.2 -13.3 -10.9 27 5 B H - 0 0 118 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.781 41.1-176.0 -84.4 124.1 3.6 -9.9 -12.2 28 6 B L + 0 0 16 -22,-3.2 2,-0.3 -2,-0.6 -20,-0.1 -0.977 10.9 170.3-124.6 115.5 5.1 -7.9 -9.3 29 7 B b >> - 0 0 49 -2,-0.5 3,-1.4 -22,-0.1 4,-0.5 -0.905 41.3 -21.1-130.1 150.0 6.3 -4.4 -10.1 30 8 B G H >> S- 0 0 19 -2,-0.3 4,-1.6 1,-0.3 3,-0.6 -0.173 126.8 -3.6 60.5-136.2 7.5 -1.3 -8.4 31 9 B S H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.822 132.8 62.2 -63.3 -27.7 6.6 -0.8 -4.8 32 10 B H H <> S+ 0 0 128 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.870 100.4 53.6 -64.0 -36.6 4.5 -4.0 -5.0 33 11 B L H S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.5 0.924 108.4 52.2 -61.3 -43.9 10.0 -9.2 -0.9 38 16 B Y H X5S+ 0 0 64 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.938 112.2 46.9 -55.4 -47.1 9.3 -7.8 2.6 39 17 B L H <5S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.912 117.8 40.0 -59.3 -49.2 6.6 -10.4 3.0 40 18 B V H <5S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.818 127.6 30.7 -72.7 -36.2 8.6 -13.3 1.8 41 19 B c H ><5S+ 0 0 3 -4,-2.8 3,-2.0 -5,-0.2 4,-0.3 0.776 76.5 157.6 -94.5 -42.1 12.0 -12.4 3.5 42 20 B G G >< + 0 0 29 -2,-0.5 3,-1.4 49,-0.2 -47,-0.3 -0.764 11.7 175.3-133.7 79.6 18.7 -4.1 -7.0 50 28 B P T 3 S+ 0 0 23 0, 0.0 -47,-0.1 0, 0.0 -46,-0.1 0.782 79.7 63.4 -60.2 -30.9 16.9 -3.3 -10.3 51 29 B K T 3 0 0 145 45,-0.5 46,-0.1 1,-0.2 47,-0.0 0.668 360.0 360.0 -66.9 -21.8 20.1 -2.5 -12.2 52 30 B T < 0 0 103 -3,-1.4 -1,-0.2 0, 0.0 -4,-0.0 -0.509 360.0 360.0 135.9 360.0 20.7 -6.2 -11.5 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,-2.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-167.4 19.4 -0.1 13.3 55 2 C I H > + 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.816 360.0 55.9 -62.7 -35.3 17.4 1.9 10.8 56 3 C V H > S+ 0 0 19 46,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.908 115.8 37.5 -65.4 -42.0 14.4 -0.5 10.7 57 4 C E H > S+ 0 0 51 -3,-0.3 4,-3.2 2,-0.2 3,-0.5 0.908 114.6 54.9 -75.9 -44.0 14.0 -0.3 14.5 58 5 C Q H X S+ 0 0 68 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.900 106.7 50.5 -54.5 -46.9 14.8 3.4 14.7 59 6 C d H < S+ 0 0 0 -4,-2.5 22,-2.0 -5,-0.2 -1,-0.2 0.804 119.2 38.0 -66.4 -28.1 12.1 4.4 12.2 60 7 C e H < S+ 0 0 45 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.859 123.5 35.7 -91.4 -42.7 9.5 2.4 14.1 61 8 C T H < S- 0 0 115 -4,-3.2 -3,-0.2 20,-0.1 -2,-0.2 0.768 138.6 -1.3 -83.0 -30.2 10.4 2.9 17.8 62 9 C S S < S- 0 0 78 -4,-2.0 2,-0.3 -5,-0.5 -3,-0.1 0.050 98.2 -76.1-122.2-123.2 11.4 6.6 17.3 63 10 C I - 0 0 86 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.939 34.7-164.8-141.0 164.4 11.6 8.6 14.1 64 11 C d B -E 79 0C 1 15,-1.9 15,-3.0 -2,-0.3 2,-0.2 -0.973 15.7-124.4-147.5 157.2 13.9 8.8 11.1 65 12 C S > - 0 0 20 -2,-0.3 4,-2.0 13,-0.2 3,-0.3 -0.668 24.5-118.4-100.5 159.7 14.6 11.2 8.3 66 13 C L H > S+ 0 0 35 11,-0.4 4,-1.8 -2,-0.2 -1,-0.1 0.771 116.9 59.9 -61.3 -27.4 14.6 10.6 4.5 67 14 C Y H 4 S+ 0 0 136 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.858 104.9 47.5 -71.9 -36.7 18.2 11.6 4.6 68 15 C Q H >4 S+ 0 0 75 -3,-0.3 3,-1.1 1,-0.2 4,-0.2 0.895 110.8 51.9 -66.7 -43.4 19.0 8.7 7.0 69 16 C L H >< S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.870 97.7 67.6 -59.7 -37.6 17.0 6.4 4.7 70 17 C E G >< S+ 0 0 83 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.773 86.9 69.4 -56.0 -26.0 19.1 7.6 1.7 71 18 C N G < S+ 0 0 122 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.678 91.9 58.9 -68.5 -15.3 22.0 5.8 3.3 72 19 C Y G < S+ 0 0 60 -3,-2.4 28,-1.9 -4,-0.2 -1,-0.2 0.388 79.6 108.4 -96.9 0.7 20.5 2.4 2.6 73 20 C f B < D 99 0B 15 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.454 360.0 360.0 -67.4 152.1 20.3 2.9 -1.2 74 21 C N 0 0 112 24,-1.8 -1,-0.1 23,-0.2 24,-0.0 -0.314 360.0 360.0 -74.5 360.0 22.8 0.8 -3.2 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 0.000 360.0 360.0 360.0 156.3 11.2 17.1 4.2 77 2 D V - 0 0 107 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.664 360.0 -94.5-104.1 158.9 9.7 16.0 7.5 78 3 D N - 0 0 102 -2,-0.2 2,-0.3 -13,-0.1 -13,-0.2 -0.364 43.7-134.3 -72.4 161.0 10.7 13.3 9.9 79 4 D Q B -E 64 0C 44 -15,-3.0 -15,-1.9 -2,-0.1 2,-0.5 -0.854 19.4-157.9-125.9 144.5 9.1 9.9 9.6 80 5 D H + 0 0 129 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.2 -0.962 33.5 170.8-121.7 106.5 7.5 7.2 11.8 81 6 D L + 0 0 21 -22,-2.0 2,-0.3 -2,-0.5 -19,-0.1 -0.970 10.0 172.7-132.4 121.8 7.7 4.0 9.7 82 7 D e > - 0 0 49 -2,-0.4 3,-1.8 -22,-0.1 4,-0.3 -0.864 52.5 -19.8-124.7 152.6 6.9 0.5 10.7 83 8 D G T >> S- 0 0 29 -2,-0.3 3,-1.3 1,-0.3 4,-0.9 -0.117 129.1 -4.2 58.8-136.1 6.7 -2.7 8.9 84 9 D S H 3> S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.698 123.6 74.4 -63.5 -20.0 6.1 -2.5 5.2 85 10 D H H <> S+ 0 0 122 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.836 93.6 53.0 -64.6 -30.9 5.8 1.3 5.4 86 11 D L H <> S+ 0 0 2 -3,-1.3 4,-2.6 -4,-0.3 -1,-0.2 0.921 107.7 50.7 -67.9 -43.1 9.6 1.5 5.9 87 12 D V H X S+ 0 0 0 -4,-0.9 4,-2.0 1,-0.2 -2,-0.2 0.882 108.3 52.0 -63.6 -36.8 10.1 -0.5 2.7 88 13 D E H X S+ 0 0 44 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.895 110.0 49.6 -62.5 -42.6 7.8 1.7 0.7 89 14 D A H X S+ 0 0 11 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.921 109.9 50.1 -66.6 -44.2 9.8 4.8 1.9 90 15 D L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.901 108.8 53.4 -57.8 -41.7 13.1 3.2 1.0 91 16 D Y H X S+ 0 0 57 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.947 112.4 43.6 -60.4 -44.3 11.6 2.4 -2.5 92 17 D L H < S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.846 115.6 48.1 -71.7 -35.7 10.6 6.0 -3.0 93 18 D V H < S+ 0 0 31 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.861 119.8 35.6 -70.5 -37.2 13.9 7.4 -1.7 94 19 D f H >< S+ 0 0 4 -4,-2.3 3,-2.1 -5,-0.2 4,-0.3 0.718 77.8 171.0 -96.7 -26.3 16.2 5.2 -3.7 95 20 D G G >< S+ 0 0 35 -4,-2.0 3,-1.5 -5,-0.3 -1,-0.2 -0.192 72.9 0.4 55.8-129.8 14.4 4.7 -7.0 96 21 D E G 3 S+ 0 0 151 1,-0.3 -45,-0.5 -46,-0.1 -1,-0.3 0.677 126.9 67.1 -71.3 -15.8 16.5 3.0 -9.7 97 22 D R G < S- 0 0 86 -3,-2.1 -1,-0.3 1,-0.1 -23,-0.2 0.778 90.9-158.2 -70.8 -28.5 19.4 2.6 -7.3 98 23 D G < - 0 0 0 -3,-1.5 -24,-1.8 -4,-0.3 2,-0.3 -0.167 4.1-127.6 69.8-172.4 17.5 0.2 -5.1 99 24 D F E -CD 48 73B 1 -51,-1.5 -51,-2.8 -26,-0.3 2,-0.4 -0.962 5.3-111.3-160.5 168.6 18.3 -0.5 -1.5 100 25 D F E -C 47 0B 70 -28,-1.9 2,-0.6 -2,-0.3 -53,-0.2 -0.964 19.1-154.2-119.1 141.8 18.9 -3.1 1.1 101 26 D Y E +C 46 0B 11 -55,-2.9 -55,-2.0 -2,-0.4 -80,-0.2 -0.953 20.4 170.0-116.5 116.1 16.5 -3.9 4.0 102 27 D T - 0 0 69 -2,-0.6 -46,-0.4 -57,-0.2 -47,-0.1 -0.777 8.6-173.5-138.6 86.0 18.3 -5.3 7.0 103 28 D P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -48,-0.1 -0.260 36.8 -91.0 -68.0 161.9 16.3 -5.6 10.3 104 29 D K 0 0 141 -50,-0.1 -59,-0.1 1,-0.0 0, 0.0 -0.508 360.0 360.0 -66.7 149.5 17.8 -6.6 13.6 105 30 D T 0 0 158 -2,-0.2 -1,-0.0 -3,-0.1 0, 0.0 -0.242 360.0 360.0 47.0 360.0 17.8 -10.3 14.4