==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 04-OCT-10 3P2X . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Q.X.HUA,Z.L.WAN,K.HUANG,S.Q.HU,N.F.PHILLIP,W.H.JIA,J.WHITTIN . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 64.7 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 . 8 7.8 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 . 4 3.9 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 . 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 2 1 0 1 0 0 0 1 0 0 0 0 0 1 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 . 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 67 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 122.7 -0.8 -19.3 11.6 2 2 A I H >> + 0 0 3 47,-0.4 4,-2.6 2,-0.2 5,-0.7 0.869 360.0 54.3 -76.4 -37.9 0.9 -16.9 9.2 3 3 A V H 4>S+ 0 0 21 1,-0.2 5,-0.5 3,-0.2 4,-0.4 0.753 112.5 46.4 -65.4 -23.8 -0.5 -13.9 11.1 4 4 A E H 45S+ 0 0 74 3,-0.2 5,-0.5 2,-0.1 -1,-0.2 0.798 117.0 39.6 -90.0 -32.7 1.1 -15.4 14.2 5 5 A Q H <5S+ 0 0 97 -4,-1.5 -2,-0.2 3,-0.2 -3,-0.2 0.776 132.9 20.9 -87.7 -27.4 4.5 -16.2 12.8 6 6 A a T <5S+ 0 0 1 -4,-2.6 22,-1.9 -5,-0.1 5,-0.3 0.702 127.2 41.2-114.4 -26.3 4.9 -13.0 10.6 7 7 A b T - 0 0 54 -2,-0.6 4,-2.4 1,-0.1 5,-0.3 -0.248 38.5 -98.5 -62.5 161.1 13.0 -14.6 7.9 13 13 A L H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.904 127.6 53.2 -48.5 -43.8 12.7 -14.7 4.2 14 14 A Y H > S+ 0 0 167 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.945 106.5 48.8 -57.3 -55.3 12.7 -18.6 4.5 15 15 A Q H >4 S+ 0 0 69 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.868 111.6 51.6 -53.9 -38.8 9.8 -18.7 7.0 16 16 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -1,-0.3 0.891 101.7 60.9 -67.5 -36.5 7.9 -16.4 4.7 17 17 A E H >< S+ 0 0 66 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.653 83.6 79.5 -66.1 -13.7 8.6 -18.8 1.8 18 18 A N T << S+ 0 0 95 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.580 90.6 56.2 -70.0 -6.5 6.8 -21.6 3.6 19 19 A Y T < S+ 0 0 42 -3,-1.8 28,-2.0 -4,-0.1 -1,-0.3 0.269 82.5 101.0-109.3 10.1 3.6 -19.9 2.4 20 20 A c B < A 46 0A 5 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.497 360.0 360.0 -84.9 165.2 4.3 -19.9 -1.3 21 21 A N 0 0 102 24,-1.3 -1,-0.1 80,-0.2 25,-0.1 -0.517 360.0 360.0 -75.3 360.0 2.6 -22.6 -3.4 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 0 123 0, 0.0 -10,-0.1 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 153.6 15.1 -8.9 3.3 24 2 B V - 0 0 71 1,-0.1 -11,-0.1 -12,-0.1 -13,-0.0 -0.071 360.0-150.2 -59.0 159.2 13.5 -6.9 6.1 25 3 B N + 0 0 128 -13,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.467 61.8 103.1-125.8 52.5 13.6 -7.9 9.8 26 4 B Q S S- 0 0 113 -15,-0.2 2,-0.6 -17,-0.0 -15,-0.5 -0.804 79.8 -82.7-131.1 174.0 10.3 -6.3 10.8 27 5 B H - 0 0 105 -2,-0.3 2,-0.6 -17,-0.1 -20,-0.2 -0.696 38.4-156.6 -83.9 120.9 6.7 -7.3 11.5 28 6 B L + 0 0 15 -22,-1.9 2,-0.3 -2,-0.6 -19,-0.1 -0.878 18.2 177.3-102.1 116.5 4.6 -7.8 8.4 29 7 B b > - 0 0 47 -2,-0.6 3,-1.9 -22,-0.1 4,-0.2 -0.941 43.0 -40.8-125.9 145.9 0.8 -7.4 9.0 30 8 B X T >> S+ 0 0 24 -2,-0.3 4,-2.3 1,-0.3 3,-2.1 -0.118 129.1 12.0 44.5-128.8 -2.3 -7.5 6.8 31 9 B S H 3> S+ 0 0 35 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.797 132.9 52.3 -45.2 -36.1 -1.9 -5.7 3.5 32 10 B H H <> S+ 0 0 136 -3,-1.9 4,-1.2 2,-0.2 -1,-0.3 0.758 109.0 49.6 -75.4 -23.8 1.9 -5.5 4.1 33 11 B L H <> S+ 0 0 0 -3,-2.1 4,-2.2 -4,-0.2 -2,-0.2 0.888 110.4 50.1 -78.9 -42.0 2.1 -9.2 4.7 34 12 B V H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.887 111.7 47.3 -62.7 -42.4 0.1 -10.0 1.5 35 13 B E H X S+ 0 0 77 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.882 109.3 55.1 -67.4 -37.2 2.4 -7.8 -0.6 36 14 B A H X S+ 0 0 10 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.915 110.1 45.8 -61.5 -43.4 5.5 -9.4 1.0 37 15 B L H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.945 110.3 53.7 -63.9 -47.9 4.2 -12.8 0.0 38 16 B Y H X S+ 0 0 16 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.940 114.8 41.7 -50.4 -51.3 3.4 -11.6 -3.5 39 17 B L H >< S+ 0 0 114 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.972 116.7 45.7 -61.4 -60.3 6.9 -10.3 -3.8 40 18 B V H 3< S+ 0 0 18 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.852 113.2 50.0 -53.9 -39.7 8.7 -13.3 -2.2 41 19 B c H >< S+ 0 0 3 -4,-3.2 3,-2.0 -5,-0.2 4,-0.3 0.672 74.9 176.9 -80.9 -19.2 6.8 -16.0 -4.1 42 20 B G G X< S- 0 0 28 -4,-1.2 3,-1.4 -3,-0.7 -1,-0.2 -0.198 71.9 -6.8 53.8-138.8 7.0 -14.9 -7.7 43 21 B E G 3 S+ 0 0 165 1,-0.3 -1,-0.3 59,-0.1 61,-0.1 0.609 124.1 75.6 -65.3 -14.6 5.4 -17.3 -10.2 44 22 B R G < S- 0 0 106 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.842 86.4-158.6 -67.2 -29.9 4.8 -19.8 -7.4 45 23 B G < - 0 0 0 -3,-1.4 -24,-1.3 -4,-0.3 2,-0.3 -0.373 9.7-134.3 76.6-167.2 1.9 -17.7 -6.2 46 24 B F E -AB 20 101A 0 55,-1.8 55,-3.3 -26,-0.3 2,-0.4 -0.964 1.3-110.8-169.8 179.2 1.0 -18.2 -2.6 47 25 B F E - B 0 100A 48 -28,-2.0 2,-0.5 -2,-0.3 53,-0.2 -0.990 15.9-164.6-132.9 139.3 -1.8 -18.7 -0.1 48 26 B Y E + B 0 99A 8 51,-2.4 51,-2.2 -2,-0.4 -2,-0.0 -0.971 19.6 158.1-124.6 113.4 -3.0 -16.4 2.6 49 27 B T - 0 0 45 -2,-0.5 -47,-0.4 49,-0.2 -46,-0.2 -0.719 22.3-160.6-139.2 85.8 -5.3 -17.9 5.3 50 28 B P + 0 0 25 0, 0.0 -2,-0.0 0, 0.0 48,-0.0 -0.436 22.6 159.7 -67.2 136.4 -5.3 -15.9 8.5 51 29 B K 0 0 167 -2,-0.1 45,-0.0 47,-0.0 0, 0.0 -0.018 360.0 360.0-150.0 34.1 -6.6 -17.9 11.5 52 30 B T 0 0 140 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.967 360.0 360.0 -58.9 360.0 -5.3 -16.1 14.6 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 36 0, 0.0 4,-3.1 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0-177.5 -7.6 -17.2 -14.5 55 2 C I H 3> + 0 0 15 1,-0.3 4,-3.7 2,-0.2 5,-0.4 0.890 360.0 51.5 -47.0 -46.8 -8.2 -14.3 -12.2 56 3 C V H 3> S+ 0 0 3 46,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.857 112.1 46.9 -60.8 -36.3 -5.2 -12.5 -13.8 57 4 C E H <> S+ 0 0 88 -3,-0.8 4,-0.5 2,-0.2 -2,-0.2 0.940 122.9 33.9 -70.8 -46.8 -6.6 -13.2 -17.2 58 5 C Q H X S+ 0 0 87 -4,-3.1 4,-0.7 1,-0.1 3,-0.3 0.965 127.0 35.2 -71.4 -55.5 -10.1 -12.0 -16.3 59 6 C d H < S+ 0 0 13 -4,-3.7 5,-0.2 -5,-0.2 -3,-0.2 0.518 113.0 53.8 -85.8 -5.7 -9.3 -9.2 -13.8 60 7 C e H < S+ 0 0 31 -4,-1.1 -1,-0.2 -5,-0.4 -3,-0.1 0.645 109.8 44.7-101.0 -16.9 -6.1 -7.7 -15.2 61 8 C T H < S+ 0 0 106 -4,-0.5 2,-0.3 1,-0.3 -2,-0.2 0.621 128.0 17.5 -97.0 -16.7 -7.3 -6.9 -18.7 62 9 C S S < S- 0 0 70 -4,-0.7 -1,-0.3 -5,-0.1 0, 0.0 -0.963 96.2 -82.1-157.8 138.1 -10.6 -5.5 -17.6 63 10 C I - 0 0 163 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 0.070 35.4-161.1 -41.4 140.9 -12.1 -4.2 -14.3 64 11 C d - 0 0 22 -5,-0.2 -1,-0.1 -4,-0.0 -5,-0.0 -0.988 11.3-141.8-129.6 117.9 -13.4 -6.6 -11.7 65 12 C S > - 0 0 50 -2,-0.4 4,-1.0 1,-0.1 3,-0.2 -0.192 34.2-100.1 -70.4 171.0 -15.7 -5.3 -8.9 66 13 C L H >> S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 3,-0.8 0.916 123.9 57.4 -58.7 -42.5 -15.4 -6.7 -5.4 67 14 C Y H 34 S+ 0 0 181 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.876 104.9 48.3 -56.2 -44.0 -18.4 -9.0 -6.2 68 15 C Q H 34 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.675 110.2 56.2 -70.5 -18.6 -16.7 -10.6 -9.2 69 16 C L H X< S+ 0 0 10 -4,-1.0 3,-2.0 -3,-0.8 -2,-0.2 0.760 89.9 68.6 -84.4 -28.9 -13.6 -11.1 -6.9 70 17 C E G >< S+ 0 0 79 -4,-1.5 3,-1.5 -3,-0.3 -1,-0.2 0.731 86.1 73.3 -62.9 -19.4 -15.4 -13.0 -4.2 71 18 C N G 3 S+ 0 0 119 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.781 95.2 51.5 -64.4 -26.2 -15.6 -15.8 -6.7 72 19 C Y G < S+ 0 0 61 -3,-2.0 28,-0.5 -4,-0.1 -1,-0.3 0.298 88.6 106.4 -95.2 8.0 -11.9 -16.3 -6.2 73 20 C f B < C 99 0A 18 -3,-1.5 26,-0.2 1,-0.1 25,-0.1 -0.361 360.0 360.0 -82.2 168.7 -12.0 -16.6 -2.4 74 21 C N 0 0 126 24,-2.3 -1,-0.1 23,-0.1 24,-0.1 -0.274 360.0 360.0 -75.8 360.0 -11.6 -19.8 -0.5 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 3,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-179.6 5.9 -3.2 -19.7 77 2 D V >> + 0 0 75 1,-0.2 4,-2.4 2,-0.1 3,-1.2 -0.109 360.0 136.0-112.7 34.2 5.0 -5.0 -16.5 78 3 D N H 3> S+ 0 0 106 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.872 75.1 52.2 -46.7 -44.1 1.4 -4.0 -16.3 79 4 D Q H 3> S+ 0 0 106 -3,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.804 109.0 49.1 -66.0 -30.3 0.5 -7.6 -15.4 80 5 D H H <> S+ 0 0 114 -3,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.854 115.5 43.1 -77.9 -34.1 3.1 -7.6 -12.6 81 6 D L H X S+ 0 0 83 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.854 112.8 53.4 -77.3 -36.0 1.8 -4.3 -11.2 82 7 D e H X S+ 0 0 30 -4,-3.0 4,-2.7 -5,-0.3 -2,-0.2 0.914 102.0 60.7 -63.0 -41.7 -1.8 -5.5 -11.7 83 8 D X H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.913 100.8 53.0 -48.1 -51.9 -0.9 -8.7 -9.7 84 9 D S H X S+ 0 0 25 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.891 111.6 44.7 -51.1 -53.4 -0.1 -6.6 -6.6 85 10 D H H X S+ 0 0 124 -4,-1.3 4,-2.3 2,-0.2 3,-0.3 0.938 110.1 56.4 -58.2 -51.5 -3.4 -4.8 -6.6 86 11 D L H X S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.927 108.9 44.2 -49.2 -54.7 -5.4 -8.0 -7.3 87 12 D V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.826 110.9 54.1 -65.2 -29.2 -4.0 -9.8 -4.2 88 13 D E H X S+ 0 0 79 -4,-1.5 4,-1.6 -3,-0.3 -1,-0.2 0.883 110.7 48.9 -69.6 -35.0 -4.5 -6.7 -2.0 89 14 D A H X S+ 0 0 27 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.922 109.7 50.0 -68.1 -44.7 -8.1 -6.7 -3.2 90 15 D L H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.858 106.9 55.8 -62.9 -36.5 -8.6 -10.4 -2.5 91 16 D Y H X S+ 0 0 61 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.926 113.9 40.4 -59.8 -44.9 -7.2 -10.0 1.0 92 17 D L H < S+ 0 0 113 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.927 119.1 45.0 -70.4 -47.0 -9.8 -7.3 1.6 93 18 D V H < S+ 0 0 20 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.895 120.2 37.9 -65.3 -43.9 -12.7 -9.1 -0.1 94 19 D f H >< S+ 0 0 5 -4,-2.9 3,-2.2 -5,-0.2 2,-0.2 0.858 77.1 165.2 -79.0 -37.6 -12.1 -12.6 1.4 95 20 D G G >< S+ 0 0 32 -4,-1.6 3,-1.3 -5,-0.4 -1,-0.2 -0.370 75.9 5.2 59.7-121.6 -11.1 -11.6 4.9 96 21 D E G 3 S+ 0 0 185 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.587 122.0 72.5 -70.9 -11.2 -11.2 -14.7 7.0 97 22 D R G < S- 0 0 99 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.702 88.3-159.8 -77.8 -17.1 -12.0 -16.9 4.1 98 23 D G < - 0 0 0 -3,-1.3 -24,-2.3 -7,-0.2 2,-0.3 0.110 4.0-135.2 60.9 175.5 -8.4 -16.5 2.9 99 24 D F E -BC 48 73A 0 -51,-2.2 -51,-2.4 -26,-0.2 2,-0.5 -0.972 6.8-120.6-159.5 171.0 -7.4 -17.2 -0.7 100 25 D F E -B 47 0A 97 -28,-0.5 2,-0.7 -2,-0.3 -53,-0.2 -0.987 17.4-156.8-122.3 123.6 -4.9 -18.8 -3.1 101 26 D Y E +B 46 0A 17 -55,-3.3 -55,-1.8 -2,-0.5 -80,-0.2 -0.894 22.2 165.7-102.5 113.6 -3.1 -16.7 -5.6 102 27 D T - 0 0 62 -2,-0.7 -46,-0.2 -57,-0.2 -47,-0.2 -0.925 31.9-155.7-131.8 107.7 -1.9 -18.9 -8.6 103 28 D P S S+ 0 0 42 0, 0.0 2,-0.4 0, 0.0 -59,-0.1 0.502 83.4 67.5 -59.1 1.4 -0.7 -17.3 -11.8 104 29 D K 0 0 177 1,-0.1 -2,-0.0 -60,-0.1 0, 0.0 -0.980 360.0 360.0-128.2 138.7 -1.7 -20.6 -13.4 105 30 D T 0 0 170 -2,-0.4 -1,-0.1 -51,-0.1 -50,-0.0 0.830 360.0 360.0-108.9 360.0 -5.2 -22.1 -13.9