==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 11-MAR-09 3GKY . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.LIU,Z.L.WAN,Y.C.CHU,H.ALDDIN,B KLAPROTH,M.A.WEISS . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6530.0 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 . 6 5.9 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 0 4 0 0 0 0 0 1 0 0 0 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 43 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 163.8 -0.5 64.7 -11.5 2 2 A I H > + 0 0 2 50,-0.3 4,-2.8 47,-0.2 5,-0.4 0.756 360.0 58.9 -64.7 -25.4 1.5 62.0 -9.7 3 3 A V H >>S+ 0 0 21 49,-1.4 4,-3.4 46,-0.4 5,-2.3 0.985 107.8 40.4 -68.6 -59.2 -0.1 59.2 -11.8 4 4 A E H 45S+ 0 0 95 1,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.841 123.5 45.2 -58.0 -30.9 0.9 60.4 -15.3 5 5 A Q H <5S+ 0 0 54 -4,-1.5 -2,-0.2 3,-0.1 -1,-0.2 0.853 129.9 18.2 -82.3 -37.8 4.3 61.3 -13.7 6 6 A a H <5S+ 0 0 0 -4,-2.8 22,-2.7 -5,-0.2 5,-0.4 0.636 134.2 33.2-110.4 -20.2 4.9 58.1 -11.6 7 7 A b T <5S+ 0 0 24 -4,-3.4 -3,-0.2 -5,-0.4 -4,-0.1 0.798 125.4 37.5-102.4 -45.2 2.6 55.5 -13.1 8 8 A H S - 0 0 57 -2,-0.3 4,-2.5 13,-0.1 5,-0.2 -0.495 33.9-102.4 -96.8 167.8 12.3 59.3 -8.6 13 13 A L H > S+ 0 0 67 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.872 125.5 53.4 -53.4 -40.1 12.0 59.5 -4.8 14 14 A Y H > S+ 0 0 189 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.886 107.7 49.3 -63.1 -41.9 12.3 63.3 -5.2 15 15 A Q H >4 S+ 0 0 62 -3,-0.2 3,-1.0 1,-0.2 -2,-0.2 0.895 110.1 50.2 -66.1 -41.4 9.4 63.4 -7.7 16 16 A V H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.900 105.5 59.5 -62.3 -38.2 7.2 61.3 -5.5 17 17 A E H >< S+ 0 0 68 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.625 85.8 75.1 -66.5 -16.0 8.0 63.8 -2.6 18 18 A N T << S+ 0 0 114 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.613 92.6 57.8 -71.1 -10.3 6.6 66.7 -4.6 19 19 A Y T < S+ 0 0 30 -3,-1.6 28,-1.7 -4,-0.2 -1,-0.3 0.212 81.2 110.6-106.0 14.1 3.2 65.4 -3.7 20 20 A c B < A 46 0A 6 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.413 360.0 360.0 -81.3 164.7 3.6 65.4 0.1 21 21 A N 0 0 111 24,-3.0 -1,-0.1 80,-0.2 25,-0.1 -0.459 360.0 360.0 -67.2 360.0 1.7 67.9 2.2 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 0 113 0, 0.0 -10,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.3 14.7 54.0 -4.9 24 2 B V - 0 0 78 1,-0.1 2,-0.1 -12,-0.0 -13,-0.1 -0.200 360.0-152.2 -53.2 144.4 12.9 51.7 -7.4 25 3 B N + 0 0 122 -15,-0.1 2,-0.3 -13,-0.1 -1,-0.1 -0.491 60.5 97.1-117.3 56.8 13.2 52.9 -10.9 26 4 B Q S S- 0 0 135 -15,-0.2 -15,-0.5 -2,-0.1 2,-0.3 -0.853 84.1 -69.2-137.9 173.3 9.9 51.3 -12.1 27 5 B H - 0 0 112 -2,-0.3 2,-0.6 -17,-0.1 -20,-0.2 -0.481 41.8-160.6 -68.4 126.8 6.3 52.2 -12.8 28 6 B L + 0 0 25 -22,-2.7 2,-0.3 -19,-0.4 -19,-0.1 -0.945 23.0 164.4-113.1 112.3 4.4 52.9 -9.5 29 7 B b > - 0 0 43 -2,-0.6 3,-1.7 -22,-0.1 4,-0.4 -0.856 39.7 -15.0-129.3 164.2 0.6 52.5 -10.0 30 8 B G T >> S- 0 0 20 -2,-0.3 4,-1.6 1,-0.3 3,-1.2 -0.143 127.2 -4.3 50.5-135.1 -2.6 52.2 -8.0 31 9 B S H 3> S+ 0 0 40 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.732 131.2 65.3 -61.8 -22.7 -2.2 51.2 -4.4 32 10 B H H <> S+ 0 0 132 -3,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.836 101.7 47.4 -69.1 -33.1 1.5 50.9 -4.9 33 11 B L H <> S+ 0 0 1 -3,-1.2 4,-2.6 -4,-0.4 -2,-0.2 0.885 111.0 51.8 -73.7 -40.8 1.8 54.6 -5.6 34 12 B V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.904 110.4 47.9 -63.3 -40.5 -0.2 55.4 -2.6 35 13 B E H X S+ 0 0 48 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.931 110.5 51.8 -66.5 -42.3 2.0 53.2 -0.4 36 14 B A H X S+ 0 0 16 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.920 111.6 47.7 -58.6 -41.4 5.1 54.8 -1.9 37 15 B L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.919 110.1 52.5 -63.0 -44.5 3.5 58.2 -1.0 38 16 B Y H X S+ 0 0 14 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.912 116.2 38.7 -57.1 -47.3 2.7 57.1 2.5 39 17 B L H < S+ 0 0 93 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.898 118.0 46.7 -74.0 -43.7 6.2 55.9 3.2 40 18 B V H < S+ 0 0 24 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.937 117.1 42.8 -66.2 -45.0 8.1 58.7 1.4 41 19 B c H >< S+ 0 0 3 -4,-2.6 3,-1.9 -5,-0.3 -1,-0.2 0.799 81.5 166.1 -73.2 -30.8 6.0 61.5 3.0 42 20 B G G >< S- 0 0 36 -4,-1.4 3,-1.9 -5,-0.3 -1,-0.2 -0.180 70.4 -1.7 54.0-135.8 5.8 60.2 6.5 43 21 B E G 3 S+ 0 0 189 1,-0.3 61,-0.3 59,-0.1 -1,-0.3 0.700 125.3 73.1 -60.6 -19.7 4.6 62.7 9.2 44 22 B R G < S- 0 0 117 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.780 93.4-151.4 -66.8 -25.9 4.4 65.3 6.4 45 23 B G < - 0 0 0 -3,-1.9 -24,-3.0 -7,-0.2 2,-0.3 0.009 8.2-125.1 74.0 170.9 1.3 63.5 5.1 46 24 B F E -AB 20 101A 1 55,-1.5 55,-2.6 -26,-0.3 2,-0.4 -0.882 1.6-126.6-147.2 176.8 0.3 63.6 1.4 47 25 B F E - B 0 100A 61 -28,-1.7 2,-0.4 -2,-0.3 53,-0.2 -0.996 22.0-166.8-130.8 134.5 -2.4 64.3 -1.1 48 26 B Y E + B 0 99A 11 51,-2.9 51,-2.6 -2,-0.4 3,-0.0 -0.978 14.3 166.3-131.5 125.0 -3.6 61.9 -3.6 49 27 B T - 0 0 55 -2,-0.4 -46,-0.4 49,-0.3 3,-0.4 -0.975 18.2-165.7-134.6 115.5 -5.8 62.5 -6.7 50 28 B P S S+ 0 0 37 0, 0.0 2,-0.7 0, 0.0 46,-0.1 0.654 78.9 85.2 -74.8 -14.7 -6.1 59.8 -9.3 51 29 B K 0 0 178 45,-0.3 45,-0.1 -48,-0.0 -3,-0.0 -0.040 360.0 360.0 -78.7 35.3 -7.6 62.4 -11.7 52 30 B A 0 0 50 -2,-0.7 -49,-1.4 -3,-0.4 -50,-0.3 -0.845 360.0 360.0 178.1 360.0 -4.1 63.5 -12.7 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 48 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 176.1 -8.4 62.3 11.9 55 2 C I H > + 0 0 9 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.844 360.0 53.3 -63.0 -35.5 -8.8 58.8 10.3 56 3 C V H > S+ 0 0 9 1,-0.2 4,-2.0 47,-0.2 5,-0.5 0.961 104.3 56.6 -63.7 -48.3 -5.8 57.4 12.4 57 4 C E H 4 S+ 0 0 129 46,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.790 121.7 26.2 -51.8 -34.9 -7.4 58.7 15.6 58 5 C Q H X S+ 0 0 68 -4,-1.2 4,-1.1 -3,-0.1 -1,-0.2 0.818 124.5 43.6-101.0 -35.1 -10.6 56.7 14.9 59 6 C d H < S+ 0 0 10 -4,-3.1 5,-0.4 -5,-0.2 -3,-0.2 0.554 107.2 55.0 -94.7 -7.7 -9.7 53.8 12.7 60 7 C e T < S+ 0 0 5 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.1 0.784 114.9 37.7 -94.1 -25.0 -6.4 52.5 14.3 61 8 C H T 4 S+ 0 0 100 -5,-0.5 2,-0.3 1,-0.2 -2,-0.2 0.878 129.1 29.2 -86.5 -44.5 -7.9 52.0 17.8 62 9 C S S < S- 0 0 82 -4,-1.1 2,-0.3 -5,-0.1 -1,-0.2 -0.841 93.9-100.2-116.8 153.2 -11.2 50.8 16.5 63 10 C I - 0 0 158 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.547 36.3-155.6 -74.7 131.0 -12.1 48.9 13.3 64 11 C d - 0 0 23 -5,-0.4 -5,-0.0 -2,-0.3 -1,-0.0 -0.914 6.7-139.2-112.1 134.2 -13.6 51.0 10.6 65 12 C S > - 0 0 47 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.258 38.4 -99.5 -76.9 171.3 -15.8 49.8 7.8 66 13 C L H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.855 126.3 60.4 -61.4 -30.7 -15.3 51.2 4.3 67 14 C Y H > S+ 0 0 182 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.899 105.5 45.2 -61.9 -43.4 -18.2 53.5 5.0 68 15 C Q H 4 S+ 0 0 67 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.850 113.4 50.5 -69.6 -33.0 -16.3 55.0 8.0 69 16 C V H >< S+ 0 0 4 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.886 102.7 60.9 -70.1 -38.7 -13.2 55.3 5.9 70 17 C E H >< S+ 0 0 81 -4,-2.6 3,-2.3 1,-0.3 -1,-0.2 0.793 87.8 72.7 -59.4 -28.8 -15.1 57.0 3.2 71 18 C N T 3< S+ 0 0 120 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.836 95.4 54.6 -56.5 -28.2 -16.0 59.8 5.6 72 19 C Y T < S+ 0 0 71 -3,-1.8 28,-0.5 -4,-0.4 -1,-0.3 0.372 83.8 109.9 -88.2 4.4 -12.4 60.9 5.2 73 20 C f < 0 0 18 -3,-2.3 26,-0.2 26,-0.1 25,-0.1 -0.316 360.0 360.0 -73.8 165.0 -12.4 61.2 1.4 74 21 C N 0 0 119 24,-1.9 -1,-0.1 23,-0.1 23,-0.0 -0.451 360.0 360.0 -94.4 360.0 -12.2 64.6 -0.3 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 0 197 0, 0.0 2,-0.3 0, 0.0 -15,-0.1 0.000 360.0 360.0 360.0 150.2 -4.7 50.7 19.7 77 2 D V - 0 0 93 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.880 360.0 -52.5-156.6-178.0 -2.0 49.2 17.4 78 3 D N > - 0 0 88 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.603 51.1-153.5 -69.5 114.8 1.2 50.3 15.8 79 4 D Q H > S+ 0 0 94 -2,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.817 88.7 57.8 -60.9 -34.9 0.0 53.5 14.1 80 5 D H H > S+ 0 0 105 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.954 112.0 39.5 -63.4 -49.8 2.6 53.3 11.4 81 6 D L H >> S+ 0 0 107 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.953 115.4 52.4 -65.3 -47.3 1.5 49.8 10.2 82 7 D e H >X S+ 0 0 23 -4,-2.6 4,-2.2 1,-0.2 3,-0.7 0.934 104.7 57.2 -52.6 -48.0 -2.2 50.7 10.6 83 8 D G H 3X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 -1,-0.2 0.848 99.3 58.7 -52.0 -39.5 -1.7 53.8 8.5 84 9 D S H S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.5 0.887 109.0 52.6 -63.8 -40.4 -8.8 55.3 1.2 91 16 D Y H X5S+ 0 0 78 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.937 114.0 43.3 -60.6 -46.3 -7.4 54.5 -2.3 92 17 D L H <5S+ 0 0 121 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.919 122.6 34.9 -66.4 -46.6 -10.0 51.9 -2.8 93 18 D V H <5S+ 0 0 32 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.867 116.7 48.6 -82.2 -37.3 -13.0 53.8 -1.4 94 19 D f H ><5S+ 0 0 6 -4,-2.6 3,-1.7 -5,-0.3 2,-0.3 0.866 77.4 167.1 -73.1 -36.4 -12.4 57.4 -2.5 95 20 D G G ><< - 0 0 32 -4,-1.2 3,-0.9 -5,-0.5 -1,-0.2 -0.410 69.0 -0.3 64.8-122.8 -11.5 56.5 -6.1 96 21 D E G 3 S+ 0 0 166 -2,-0.3 -45,-0.3 1,-0.2 -1,-0.3 0.495 121.6 74.5 -80.2 -4.9 -11.4 59.6 -8.3 97 22 D R G < S- 0 0 137 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.683 88.0-157.0 -80.9 -16.4 -12.3 61.9 -5.5 98 23 D G < - 0 0 1 -3,-0.9 -24,-1.9 -7,-0.1 2,-0.3 0.005 5.6-134.8 63.9 179.8 -8.8 61.6 -4.1 99 24 D F E -B 48 0A 4 -51,-2.6 -51,-2.9 -26,-0.2 2,-0.4 -0.989 6.3-119.5-166.3 163.1 -8.0 62.2 -0.5 100 25 D F E -B 47 0A 109 -28,-0.5 2,-0.6 -2,-0.3 -53,-0.2 -0.883 18.0-155.4-109.9 141.9 -5.6 63.9 2.0 101 26 D Y E +B 46 0A 7 -55,-2.6 -55,-1.5 -2,-0.4 -80,-0.2 -0.946 23.3 163.0-120.4 106.9 -3.8 61.8 4.5 102 27 D T > - 0 0 64 -2,-0.6 3,-0.6 -57,-0.2 -46,-0.2 -0.854 18.2-168.9-128.8 95.1 -2.9 63.9 7.5 103 28 D P T 3 S+ 0 0 42 0, 0.0 2,-0.6 0, 0.0 -46,-0.3 0.929 84.2 19.2 -44.6 -65.8 -1.9 61.9 10.6 104 29 D K T 3 0 0 180 -61,-0.3 -61,-0.0 1,-0.2 0, 0.0 -0.778 360.0 360.0-116.0 87.2 -1.9 64.7 13.2 105 30 D A < 0 0 139 -2,-0.6 -1,-0.2 -3,-0.6 0, 0.0 0.962 360.0 360.0 -51.6 360.0 -3.9 67.7 11.8