==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 26-APR-11 3ROV . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.A.WEISS,Z.L.WAN,E.J.DODSON,M.LIU,B.XU,Q.X.HUA,M.TURKENBURG . 306 12 18 6 12 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 69.6 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 . 21 6.9 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 . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 3 7 0 1 0 0 0 0 0 0 0 0 0 3 3 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 . 5 1 2 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 1 2 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 74 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 167.9 1.4 5.5 23.1 2 2 A I H > + 0 0 10 47,-0.3 4,-3.3 1,-0.2 5,-0.3 0.834 360.0 55.7 -57.8 -32.9 4.2 3.5 21.6 3 3 A V H >>S+ 0 0 8 2,-0.2 4,-2.8 3,-0.2 5,-0.8 0.978 109.5 43.8 -63.3 -55.5 2.3 3.3 18.3 4 4 A E H 45S+ 0 0 123 1,-0.2 4,-0.3 2,-0.2 5,-0.2 0.854 123.7 37.9 -58.9 -35.1 2.0 7.1 18.1 5 5 A Q H <5S+ 0 0 108 -4,-2.4 4,-0.3 3,-0.1 -1,-0.2 0.799 129.0 29.0 -88.3 -30.2 5.7 7.5 19.1 6 6 A a H <5S+ 0 0 8 -4,-3.3 5,-0.4 -5,-0.3 -3,-0.2 0.514 121.0 44.8-111.8 -4.4 7.2 4.6 17.3 7 7 A b T <5S+ 0 0 20 -4,-2.8 -3,-0.2 -5,-0.3 123,-0.1 0.618 111.4 52.1-108.4 -21.6 5.0 4.0 14.2 8 8 A T S > - 0 0 55 -2,-0.4 4,-1.6 1,-0.1 3,-0.8 -0.238 30.8-104.1 -75.7 172.4 15.8 3.4 17.9 13 13 A L H 3> S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.853 124.0 57.3 -65.5 -34.1 16.5 0.4 20.2 14 14 A Y H 34 S+ 0 0 190 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.645 108.1 47.2 -70.7 -16.6 17.5 2.8 22.9 15 15 A Q H X4 S+ 0 0 102 -3,-0.8 3,-0.9 2,-0.1 4,-0.2 0.742 109.3 51.7 -94.2 -29.2 14.1 4.5 22.7 16 16 A L H >< S+ 0 0 7 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.763 94.1 73.0 -75.9 -25.0 12.2 1.2 22.8 17 17 A E T 3< S+ 0 0 65 -4,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.571 84.2 71.2 -65.8 -7.1 14.1 0.3 25.9 18 18 A N T < S+ 0 0 125 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.815 94.5 51.5 -77.3 -31.7 11.9 3.0 27.5 19 19 A Y S < S+ 0 0 67 -3,-1.9 28,-0.9 -4,-0.2 -1,-0.2 0.348 87.5 110.8 -87.3 6.3 9.0 0.6 27.2 20 20 A c B A 46 0A 28 -3,-0.5 26,-0.3 -4,-0.2 25,-0.1 -0.541 360.0 360.0 -82.2 150.0 10.8 -2.2 28.9 21 21 A N 0 0 85 24,-2.8 -1,-0.1 -2,-0.2 23,-0.1 -0.135 360.0 360.0 -65.8 360.0 9.7 -3.4 32.3 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 0 167 0, 0.0 4,-1.3 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0-178.4 -5.8 1.7 10.5 24 2 B V H >> + 0 0 14 196,-0.3 4,-3.1 1,-0.3 3,-0.8 0.902 360.0 58.3 -51.7 -54.3 -4.2 -1.6 9.6 25 3 B N H 3> S+ 0 0 58 1,-0.3 4,-3.1 2,-0.2 -1,-0.3 0.784 105.2 53.3 -50.7 -29.4 -0.6 -0.4 9.4 26 4 B Q H <> S+ 0 0 72 -3,-1.0 4,-1.9 2,-0.2 -1,-0.3 0.897 111.1 45.9 -71.1 -39.2 -1.0 0.7 13.0 27 5 B H H X S+ 0 0 6 -4,-3.1 4,-2.0 -5,-0.3 3,-0.7 0.882 104.2 62.6 -66.0 -36.0 3.4 -1.9 13.1 30 8 B G H 3X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.3 -1,-0.2 0.890 100.7 51.3 -53.9 -43.4 2.1 -2.9 16.6 31 9 B S H 3X S+ 0 0 3 -4,-1.2 4,-1.5 1,-0.2 -1,-0.3 0.783 108.7 52.1 -65.8 -27.0 3.2 -6.4 15.9 32 10 B H H < S+ 0 0 8 -4,-2.4 3,-0.7 1,-0.2 4,-0.5 0.735 74.1 169.0 -68.3 -20.8 13.8 -6.0 27.1 42 20 B X T 3< - 0 0 26 -4,-0.7 3,-0.4 -5,-0.3 -1,-0.2 -0.176 68.1 -4.5 47.9-111.9 15.8 -9.2 27.6 43 21 B E T 3 S+ 0 0 126 1,-0.2 60,-0.8 -3,-0.2 -1,-0.3 0.968 129.0 64.5 -71.3 -53.3 15.4 -10.2 31.2 44 22 B R S < S- 0 0 188 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.652 90.8-159.6 -42.2 -22.5 13.5 -7.2 32.5 45 23 B X - 0 0 1 -4,-0.5 -24,-2.8 -3,-0.4 2,-0.3 -0.068 10.4-108.4 59.8-165.9 10.6 -8.2 30.2 46 24 B F E -AB 20 101A 1 55,-2.0 55,-2.3 -26,-0.3 2,-0.4 -0.968 6.2-126.9-154.1 167.8 8.0 -5.7 29.1 47 25 B F E - B 0 100A 117 -28,-0.9 2,-0.4 -2,-0.3 53,-0.2 -0.936 26.4-165.5-116.1 140.9 4.4 -4.4 29.5 48 26 B Y E + B 0 99A 4 51,-2.6 51,-2.8 -2,-0.4 2,-0.4 -0.957 15.1 168.5-139.5 125.3 2.2 -3.9 26.4 49 27 B T - 0 0 95 -2,-0.4 -47,-0.3 49,-0.2 48,-0.1 -0.967 28.3-131.0-136.6 119.2 -1.1 -2.0 25.9 50 28 B K - 0 0 28 45,-0.4 -23,-0.0 -2,-0.4 -2,-0.0 -0.248 24.4-111.8 -66.8 147.4 -2.6 -1.2 22.5 51 29 B P 0 0 54 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.092 360.0 360.0 -70.8 174.2 -3.9 2.3 21.5 52 30 B T 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.490 360.0 360.0-104.0 360.0 -7.6 3.0 21.0 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 59 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 154.1 5.3 -18.7 33.5 55 2 C I H > + 0 0 3 1,-0.2 4,-4.1 2,-0.2 5,-0.3 0.920 360.0 55.6 -50.8 -47.8 4.0 -18.7 30.0 56 3 C V H >>S+ 0 0 6 46,-0.3 4,-3.1 2,-0.2 5,-0.5 0.954 111.6 39.4 -49.4 -63.7 7.3 -20.1 28.8 57 4 C E H 45S+ 0 0 84 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.911 125.3 39.9 -54.3 -45.6 7.3 -23.2 31.1 58 5 C Q H <5S+ 0 0 83 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.768 127.9 31.2 -76.9 -27.7 3.6 -23.7 30.5 59 6 C d H <5S+ 0 0 4 -4,-4.1 5,-0.4 -5,-0.3 -3,-0.2 0.520 116.4 48.5-113.7 -7.2 3.6 -22.8 26.8 60 7 C e T <5S+ 0 0 9 -4,-3.1 229,-0.6 -5,-0.3 -3,-0.2 0.463 111.1 54.8-107.7 -4.8 6.9 -23.8 25.3 61 8 C T S - 0 0 52 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.136 27.6-108.6 -61.1 160.3 -4.5 -23.2 23.6 66 13 C L H > S+ 0 0 14 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.869 123.4 45.9 -60.8 -35.5 -5.9 -19.8 22.5 67 14 C Y H 4 S+ 0 0 141 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.742 107.8 54.5 -81.1 -24.8 -7.7 -19.6 25.8 68 15 C Q H >4 S+ 0 0 81 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.796 106.9 53.7 -75.7 -27.8 -4.7 -20.8 27.9 69 16 C L H >< S+ 0 0 11 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.770 96.4 67.5 -74.3 -25.6 -2.9 -17.9 26.2 70 17 C E G >< S+ 0 0 57 -4,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.672 82.0 73.6 -68.2 -18.9 -5.7 -15.5 27.4 71 18 C N G < S+ 0 0 122 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.425 96.7 53.1 -75.1 4.2 -4.6 -16.1 31.0 72 19 C Y G < S+ 0 0 27 -3,-1.4 28,-1.5 -17,-0.0 -1,-0.3 0.340 87.5 103.1-116.7 0.9 -1.7 -13.9 30.0 73 20 C f B < C 99 0A 11 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.562 360.0 360.0 -84.4 151.0 -3.8 -11.0 28.6 74 21 C N 0 0 88 24,-2.2 24,-0.2 -2,-0.2 25,-0.1 0.945 360.0 360.0 -67.9 360.0 -4.3 -7.8 30.7 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 0 170 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 105.1 17.5 -21.2 26.6 77 2 D V H 3> + 0 0 6 1,-0.3 4,-4.4 2,-0.2 5,-0.4 0.761 360.0 68.7 -64.0 -21.7 17.1 -20.2 22.9 78 3 D N H 3> S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.959 110.8 31.3 -57.8 -49.2 14.5 -22.9 22.9 79 4 D Q H <> S+ 0 0 36 -3,-0.6 4,-0.8 2,-0.2 -2,-0.2 0.626 119.8 56.3 -82.6 -16.1 12.4 -20.7 25.1 80 5 D H H X S+ 0 0 24 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.933 111.8 40.3 -78.2 -51.0 13.9 -17.6 23.5 81 6 D L H X S+ 0 0 29 -4,-4.4 4,-1.3 1,-0.2 3,-0.3 0.940 118.0 48.7 -60.8 -47.5 12.8 -18.6 20.0 82 7 D e H X S+ 0 0 4 -4,-1.9 4,-1.6 -5,-0.4 -1,-0.2 0.798 106.4 59.0 -62.9 -29.6 9.5 -19.9 21.4 83 8 D G H X S+ 0 0 0 -4,-0.8 4,-2.3 2,-0.2 5,-0.3 0.901 99.0 56.6 -66.4 -41.0 9.2 -16.6 23.2 84 9 D S H X S+ 0 0 26 -4,-1.8 4,-0.9 -3,-0.3 -1,-0.2 0.895 110.9 44.6 -56.3 -42.8 9.3 -14.6 20.0 85 10 D H H X S+ 0 0 16 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.807 110.9 54.5 -73.1 -27.7 6.4 -16.6 18.8 86 11 D L H X S+ 0 0 13 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.848 104.2 52.1 -72.8 -39.5 4.5 -16.3 22.1 87 12 D V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.822 110.4 50.8 -67.9 -30.4 4.6 -12.5 22.2 88 13 D E H X S+ 0 0 25 -4,-0.9 4,-1.7 -5,-0.3 -2,-0.2 0.905 109.3 49.9 -73.4 -42.4 3.2 -12.4 18.7 89 14 D A H X S+ 0 0 6 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.879 109.8 50.2 -64.9 -39.2 0.3 -14.8 19.6 90 15 D L H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.943 106.5 55.9 -64.1 -46.1 -0.7 -12.7 22.7 91 16 D Y H X S+ 0 0 2 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.913 112.4 41.9 -51.1 -48.3 -0.7 -9.5 20.6 92 17 D L H < S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.776 120.0 43.4 -71.8 -28.0 -3.2 -11.0 18.2 93 18 D V H < S+ 0 0 11 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.801 112.1 49.2 -88.3 -33.3 -5.3 -12.7 20.9 94 19 D f H >< S+ 0 0 7 -4,-3.4 3,-1.4 -5,-0.2 -3,-0.1 0.806 76.9 174.8 -78.8 -30.0 -5.5 -9.9 23.5 95 20 D X G >< S- 0 0 37 -4,-1.1 3,-1.5 -5,-0.3 -45,-0.4 -0.327 71.1 -2.2 64.1-129.5 -6.6 -7.0 21.2 96 21 D E G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -47,-0.1 -46,-0.2 0.778 126.6 69.7 -61.4 -34.2 -7.3 -3.8 23.1 97 22 D R G < S- 0 0 112 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.679 88.4-160.8 -61.0 -20.5 -6.7 -5.5 26.5 98 23 D X < - 0 0 0 -3,-1.5 -24,-2.2 -24,-0.2 2,-0.3 -0.036 7.2-114.8 62.8-169.7 -3.0 -5.7 25.8 99 24 D F E -BC 48 73A 0 -51,-2.8 -51,-2.6 -26,-0.3 2,-0.4 -0.950 3.6-122.0-155.1 174.1 -0.7 -8.1 27.6 100 25 D F E -B 47 0A 62 -28,-1.5 2,-0.5 -2,-0.3 -53,-0.2 -0.986 19.2-163.8-126.3 133.3 2.2 -8.7 29.9 101 26 D Y E -B 46 0A 2 -55,-2.3 -55,-2.0 -2,-0.4 2,-0.4 -0.968 5.8-170.9-124.6 123.4 5.4 -10.6 29.1 102 27 D T - 0 0 64 -2,-0.5 -46,-0.3 -57,-0.2 -57,-0.1 -0.878 17.4-150.4-112.2 138.6 7.9 -11.9 31.7 103 28 D K - 0 0 22 -60,-0.8 2,-2.8 -2,-0.4 -2,-0.0 -0.863 15.9-151.6-107.9 96.0 11.3 -13.4 31.2 104 29 D P 0 0 54 0, 0.0 -60,-0.1 0, 0.0 -61,-0.1 -0.274 360.0 360.0 -65.9 58.6 11.7 -15.8 34.3 105 30 D T 0 0 159 -2,-2.8 -3,-0.0 -62,-0.2 0, 0.0 0.106 360.0 360.0 50.6 360.0 15.5 -15.6 34.4 106 !* 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 0.0 107 1 E G > 0 0 63 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-169.1 19.0 -1.1 -4.0 108 2 E I H > + 0 0 17 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.880 360.0 50.5 -74.0 -39.8 16.8 -4.0 -2.9 109 3 E V H > S+ 0 0 9 46,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.920 109.4 51.9 -64.2 -43.5 14.7 -1.9 -0.5 110 4 E E H 4 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.868 119.3 35.5 -61.4 -38.6 14.0 0.7 -3.2 111 5 E Q H >X S+ 0 0 85 -4,-1.3 4,-1.0 1,-0.1 3,-0.5 0.877 123.3 40.2 -84.2 -40.3 12.9 -2.0 -5.7 112 6 E g H 3< S+ 0 0 8 -4,-3.3 5,-0.3 1,-0.2 -2,-0.2 0.488 111.4 55.2 -91.1 -2.2 11.1 -4.4 -3.3 113 7 E h T 3< S+ 0 0 13 -4,-1.5 123,-0.3 -5,-0.2 -1,-0.2 0.305 114.9 36.1-112.1 7.3 9.4 -1.9 -1.1 114 8 E T T <4 S+ 0 0 81 -3,-0.5 2,-0.4 1,-0.4 -2,-0.2 0.496 129.6 29.8-123.3 -29.9 7.6 0.1 -3.8 115 9 E S S < S- 0 0 73 -4,-1.0 -1,-0.4 -5,-0.1 121,-0.2 -0.999 93.8-103.4-136.7 131.0 6.8 -2.9 -5.9 116 10 E I - 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