==== 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 27-JUL-12 4GBK . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.T.R.LIMA,M.P.FAVERO-RETTO,L.C.PALMIERI . 101 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 64.4 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 7.9 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 . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 35.6 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 0 0 0 0 0 0 1 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 39 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-153.7 -9.8 -15.6 1.9 2 2 A I H >> + 0 0 5 2,-0.2 4,-3.7 3,-0.2 5,-0.6 0.907 360.0 48.0 -62.3 -40.4 -7.3 -14.2 -0.6 3 3 A V H >>S+ 0 0 18 2,-0.2 4,-1.7 3,-0.2 5,-0.8 0.968 116.2 40.8 -64.0 -51.4 -7.4 -10.9 1.3 4 4 A E H >5S+ 0 0 130 1,-0.2 4,-0.9 3,-0.2 5,-0.2 0.957 124.8 40.7 -59.9 -50.2 -7.0 -12.5 4.7 5 5 A Q H X5S+ 0 0 89 -4,-3.3 4,-0.7 3,-0.1 -2,-0.2 0.803 125.5 30.2 -63.2 -46.1 -4.3 -15.0 3.2 6 6 A a H <5S+ 0 0 12 -4,-3.7 5,-0.5 -5,-0.2 -3,-0.2 0.854 118.4 47.5 -95.4 -38.9 -2.4 -12.7 0.9 7 7 A b H < - 0 0 48 -2,-0.3 4,-0.6 1,-0.1 5,-0.1 -0.199 34.3 -96.0 -86.5-174.4 3.6 -16.2 -4.1 13 13 A L H > S+ 0 0 109 1,-0.2 4,-2.9 2,-0.2 3,-0.5 0.875 126.8 53.3 -70.1 -38.0 2.4 -16.7 -7.7 14 14 A Y H 4 S+ 0 0 193 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.753 110.7 47.1 -69.7 -24.7 1.7 -20.4 -6.9 15 15 A Q H 4 S+ 0 0 105 2,-0.2 4,-0.3 1,-0.1 -1,-0.3 0.589 111.8 50.7 -88.0 -13.9 -0.4 -19.2 -3.9 16 16 A L H >< S+ 0 0 10 -4,-0.6 3,-2.3 -3,-0.5 -2,-0.2 0.859 98.8 66.8 -90.0 -39.4 -2.2 -16.7 -6.0 17 17 A E G >< S+ 0 0 78 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.565 85.7 70.1 -62.1 -10.9 -3.0 -19.3 -8.7 18 18 A N G 3 S+ 0 0 121 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.853 92.5 58.9 -69.0 -34.2 -5.3 -21.1 -6.3 19 19 A Y G < S+ 0 0 61 -3,-2.3 28,-0.7 -4,-0.3 -1,-0.2 0.440 86.6 119.1 -79.6 8.4 -7.7 -18.2 -6.6 20 20 A c B < A 46 0A 21 -3,-0.8 26,-0.3 -4,-0.2 25,-0.1 -0.345 360.0 360.0 -76.4 151.8 -7.9 -18.8 -10.5 21 21 A N 0 0 115 24,-2.6 79,-0.1 79,-0.1 -1,-0.1 -0.466 360.0 360.0 55.5 360.0 -11.0 -19.6 -12.5 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 0 231 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0-114.3 -10.5 -0.3 5.1 24 2 B V H >> + 0 0 98 1,-0.3 4,-3.6 2,-0.2 3,-2.0 0.896 360.0 60.4 -47.7 -54.9 -7.9 1.4 2.9 25 3 B N H 34 S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.2 4,-0.0 0.558 113.5 39.7 -52.6 -13.5 -4.9 -1.0 3.7 26 4 B Q H <> S+ 0 0 102 -3,-1.8 4,-0.5 3,-0.1 -1,-0.3 0.413 115.7 50.1-115.5 -3.8 -7.0 -3.9 2.3 27 5 B H H S+ 0 0 32 -5,-0.5 4,-1.8 2,-0.2 3,-0.4 0.872 104.5 55.8 -67.8 -41.5 -3.9 -4.3 -1.2 30 8 B G H X S+ 0 0 0 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.852 100.3 62.3 -57.3 -36.5 -6.8 -5.7 -3.3 31 9 B S H X S+ 0 0 25 -4,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.903 108.3 41.5 -50.9 -47.5 -5.5 -3.4 -6.1 32 10 B H H X S+ 0 0 127 -4,-0.9 4,-1.3 -3,-0.4 -1,-0.2 0.824 111.1 56.5 -75.1 -34.9 -2.3 -5.3 -6.1 33 11 B L H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.923 105.3 48.9 -60.2 -50.6 -3.9 -8.7 -5.7 34 12 B V H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.817 112.5 47.9 -65.2 -34.9 -6.1 -8.4 -8.8 35 13 B E H X S+ 0 0 60 -4,-1.0 4,-1.2 -5,-0.2 -1,-0.3 0.777 110.0 53.5 -71.6 -30.4 -3.2 -7.3 -11.0 36 14 B A H X S+ 0 0 24 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.886 112.2 46.3 -68.5 -38.6 -1.2 -10.2 -9.5 37 15 B L H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 5,-0.5 0.669 103.5 60.0 -76.9 -28.4 -4.1 -12.5 -10.6 38 16 B Y H X S+ 0 0 52 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.925 110.8 42.6 -58.5 -48.9 -4.5 -11.1 -14.0 39 17 B L H < S+ 0 0 127 -4,-1.2 -2,-0.2 2,-0.2 -3,-0.1 0.975 121.5 39.1 -60.8 -55.7 -1.0 -12.1 -14.8 40 18 B V H < S+ 0 0 28 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.954 122.1 39.1 -60.8 -57.6 -1.1 -15.5 -13.2 41 19 B c H >< S+ 0 0 1 -4,-1.6 3,-1.0 1,-0.2 4,-0.2 0.865 83.6 165.3 -63.8 -39.3 -4.6 -16.6 -14.1 42 20 B G G >< - 0 0 10 -4,-1.5 3,-0.9 -5,-0.5 -1,-0.2 -0.324 68.3 -3.6 59.4-130.4 -4.4 -15.1 -17.7 43 21 B E G 3 S+ 0 0 130 1,-0.2 -1,-0.2 59,-0.1 -2,-0.1 0.893 126.1 69.3 -62.9 -41.9 -7.1 -16.4 -20.0 44 22 B R G < S- 0 0 100 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.806 94.3-160.4 -42.6 -40.1 -8.5 -18.8 -17.4 45 23 B G < - 0 0 1 -3,-0.9 -24,-2.6 -4,-0.2 2,-0.3 -0.156 3.0-119.0 84.3-177.7 -9.6 -15.6 -15.6 46 24 B F E -AB 20 100A 1 54,-2.0 54,-2.2 -26,-0.3 2,-0.5 -0.973 6.4-121.2-154.1 162.0 -10.6 -15.2 -12.0 47 25 B F E - B 0 99A 118 -28,-0.7 2,-0.6 -2,-0.3 52,-0.2 -0.962 23.3-167.4-105.3 123.4 -13.5 -14.3 -9.6 48 26 B Y E + B 0 98A 22 50,-2.6 50,-1.3 -2,-0.5 2,-0.2 -0.693 39.5 109.2-117.2 82.2 -12.7 -11.4 -7.2 49 27 B T + 0 0 48 -2,-0.6 48,-0.1 48,-0.2 47,-0.1 -0.776 25.5 166.8-134.1 179.2 -15.3 -11.1 -4.5 50 28 B D 0 0 105 45,-0.3 47,-0.1 46,-0.3 46,-0.0 0.062 360.0 360.0 164.3 69.7 -15.5 -11.7 -0.8 51 29 B K 0 0 200 45,-0.1 45,-0.1 0, 0.0 -2,-0.0 -0.077 360.0 360.0-140.7 360.0 -18.6 -10.3 0.9 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 47 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 163.6 -16.8 -10.0 -23.9 54 2 C I H >> + 0 0 2 2,-0.2 4,-4.4 3,-0.2 5,-0.6 0.876 360.0 52.1 -53.3 -42.2 -15.3 -7.2 -21.7 55 3 C V H >>S+ 0 0 14 47,-0.7 4,-3.2 1,-0.2 5,-1.3 0.983 114.8 38.2 -66.8 -58.9 -12.1 -7.6 -23.6 56 4 C E H 45S+ 0 0 66 46,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.762 124.9 42.3 -65.8 -28.6 -13.6 -7.3 -27.0 57 5 C Q H <5S+ 0 0 66 -4,-2.4 -2,-0.2 3,-0.1 -1,-0.2 0.913 129.4 22.6 -84.2 -49.0 -16.0 -4.6 -25.8 58 6 C d H <5S+ 0 0 0 -4,-4.4 22,-2.4 -5,-0.2 5,-0.3 0.587 130.3 39.2-101.9 -12.6 -13.8 -2.5 -23.6 59 7 C e T < - 0 0 48 -2,-0.4 4,-4.1 13,-0.1 5,-0.2 -0.316 32.2-102.9 -89.4 170.7 -18.4 3.2 -20.5 65 13 C L H > S+ 0 0 69 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.954 125.4 47.5 -45.3 -59.9 -18.8 3.0 -16.8 66 14 C Y H 4 S+ 0 0 180 1,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.856 117.8 43.6 -55.9 -41.3 -22.3 1.3 -17.3 67 15 C Q H >4 S+ 0 0 68 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.882 112.6 50.8 -70.6 -42.7 -20.7 -1.0 -19.8 68 16 C L H >< S+ 0 0 0 -4,-4.1 3,-0.5 1,-0.2 -2,-0.2 0.719 108.6 55.6 -65.8 -20.0 -17.7 -1.5 -17.5 69 17 C E G >< S+ 0 0 56 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.457 80.2 84.0 -93.4 -7.1 -20.2 -2.4 -14.7 70 18 C N G < S+ 0 0 101 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.669 91.9 55.4 -65.3 -13.0 -22.0 -5.1 -16.6 71 19 C Y G < S+ 0 0 28 -3,-0.5 28,-1.4 -4,-0.2 -1,-0.2 0.054 80.2 105.1-111.4 14.8 -19.1 -7.3 -15.3 72 20 C f B < C 98 0A 8 -3,-1.4 26,-0.3 26,-0.2 18,-0.0 -0.475 360.0 360.0 -84.9 168.9 -19.4 -6.6 -11.5 73 21 C N 0 0 110 24,-1.3 -1,-0.1 -2,-0.1 24,-0.1 -0.374 360.0 360.0 -79.2 360.0 -21.0 -9.4 -9.6 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 0 135 0, 0.0 -10,-0.1 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 145.3 -14.9 8.4 -16.7 76 2 D V - 0 0 56 1,-0.1 2,-0.8 -12,-0.1 -13,-0.1 -0.222 360.0-145.0 -53.8 143.6 -12.2 7.9 -19.5 77 3 D N + 0 0 124 -15,-0.1 2,-0.3 -13,-0.1 -1,-0.1 -0.849 62.5 112.6-106.5 83.2 -13.3 7.3 -23.0 78 4 D Q S S- 0 0 102 -2,-0.8 -15,-0.8 -15,-0.3 2,-0.4 -0.967 76.6 -89.3-148.5 162.1 -10.4 5.0 -23.8 79 5 D H - 0 0 113 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.643 39.1-163.4 -70.7 133.0 -9.4 1.5 -24.6 80 6 D L + 0 0 19 -22,-2.4 2,-0.3 -19,-0.4 -19,-0.1 -0.954 19.0 166.9-120.9 109.6 -8.7 -0.3 -21.3 81 7 D e > - 0 0 52 -2,-0.5 3,-1.9 -22,-0.1 4,-0.3 -0.819 42.3 -13.5-125.2 158.0 -6.7 -3.5 -21.7 82 8 D G T >> S- 0 0 15 -2,-0.3 4,-1.3 1,-0.3 3,-1.1 -0.214 129.4 -2.7 63.3-136.2 -4.9 -6.0 -19.6 83 9 D S H 3> S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.721 128.5 66.6 -65.1 -20.8 -4.2 -5.0 -16.1 84 10 D H H <> S+ 0 0 134 -3,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.730 103.6 47.7 -73.2 -24.0 -5.8 -1.5 -16.8 85 11 D L H <> S+ 0 0 1 -3,-1.1 4,-4.1 -4,-0.3 5,-0.2 0.902 109.3 49.2 -71.1 -54.8 -9.1 -3.3 -17.2 86 12 D V H X S+ 0 0 0 -4,-1.3 4,-3.3 1,-0.3 -2,-0.2 0.913 114.5 47.4 -62.0 -40.6 -8.9 -5.4 -14.1 87 13 D E H X S+ 0 0 26 -4,-2.0 4,-3.1 2,-0.2 -1,-0.3 0.910 111.1 49.6 -67.2 -40.2 -8.0 -2.4 -12.1 88 14 D A H X S+ 0 0 10 -4,-0.9 4,-3.7 2,-0.2 -2,-0.2 0.952 113.4 48.0 -68.5 -42.7 -10.8 -0.4 -13.7 89 15 D L H X S+ 0 0 0 -4,-4.1 4,-2.5 1,-0.2 5,-0.4 0.961 111.2 50.6 -53.6 -50.9 -13.2 -3.2 -12.8 90 16 D Y H X S+ 0 0 10 -4,-3.3 4,-1.8 -5,-0.2 -2,-0.2 0.934 116.0 41.0 -53.1 -49.9 -11.8 -3.3 -9.4 91 17 D L H < S+ 0 0 108 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 117.8 48.3 -68.6 -42.2 -12.3 0.5 -8.9 92 18 D V H < S+ 0 0 18 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.709 117.9 37.3 -71.5 -24.2 -15.6 0.4 -10.6 93 19 D f H >< S+ 0 0 6 -4,-2.5 3,-1.1 -5,-0.2 2,-0.3 0.876 77.9 165.3 -97.2 -47.2 -17.1 -2.5 -8.7 94 20 D G T 3< + 0 0 34 -4,-1.8 3,-0.3 -5,-0.4 -1,-0.1 -0.512 67.8 7.0 79.0-129.5 -15.9 -2.1 -5.2 95 21 D E T 3 S+ 0 0 172 -2,-0.3 -45,-0.3 1,-0.2 -1,-0.3 0.784 127.9 60.8 -60.9 -35.6 -17.5 -4.1 -2.4 96 22 D R S < S- 0 0 111 -3,-1.1 -46,-0.3 1,-0.2 -1,-0.2 0.950 94.0-161.7 -51.1 -55.9 -19.6 -6.0 -4.9 97 23 D G - 0 0 2 -3,-0.3 -24,-1.3 -7,-0.2 2,-0.3 -0.552 3.1-128.4 93.1-159.8 -16.5 -7.4 -6.7 98 24 D F E -BC 48 72A 1 -50,-1.3 -50,-2.6 -26,-0.3 2,-0.3 -0.952 4.6-114.1-170.1 177.5 -16.3 -8.9 -10.1 99 25 D F E -B 47 0A 55 -28,-1.4 2,-0.5 -2,-0.3 -52,-0.2 -0.990 19.5-167.7-139.3 128.2 -15.3 -11.6 -12.6 100 26 D Y E +B 46 0A 4 -54,-2.2 -54,-2.0 -2,-0.3 -79,-0.1 -0.963 14.4 168.6-117.1 133.0 -12.7 -11.3 -15.4 101 27 D T - 0 0 49 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.504 30.6-150.1-115.7 -18.1 -12.5 -13.9 -18.1 102 28 D D + 0 0 11 -58,-0.1 -47,-0.7 -20,-0.1 2,-0.4 -0.624 68.8 13.5 78.8-136.8 -10.2 -12.2 -20.5 103 29 D K 0 0 128 -2,-0.3 0, 0.0 -48,-0.1 0, 0.0 -0.607 360.0 360.0 -74.7 123.8 -10.7 -13.1 -24.1 104 30 D T 0 0 136 -2,-0.4 -48,-0.1 0, 0.0 -2,-0.0 -0.684 360.0 360.0-111.4 360.0 -14.1 -14.9 -24.5