==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR 29-OCT-04 1XW7 . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Z.L.WAN,K.HUANG,B.XU,Y.C.CHU,S.Q.HU,P.G.KATSOYANNIS,M.A.WEIS . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 67.6 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 . 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 . 1 1.0 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 . 12 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 42.2 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+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 1 2 0 1 0 0 0 0 0 0 0 0 0 2 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 28 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-172.3 35.3 -9.9 41.9 2 2 A I H > + 0 0 5 47,-0.4 4,-2.5 1,-0.2 5,-0.2 0.783 360.0 58.4 -61.8 -29.3 34.6 -13.6 42.7 3 3 A L H > S+ 0 0 14 2,-0.2 4,-1.4 1,-0.2 5,-0.3 0.925 110.1 40.9 -69.1 -44.2 38.4 -14.3 42.8 4 4 A E H > S+ 0 0 56 -3,-0.2 4,-0.8 1,-0.2 5,-0.2 0.928 121.0 44.3 -68.9 -43.6 39.1 -11.8 45.6 5 5 A Q H X S+ 0 0 84 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.855 124.5 29.5 -69.7 -37.5 35.9 -12.7 47.5 6 6 A a H < S+ 0 0 12 -4,-2.5 5,-0.4 -5,-0.2 -1,-0.2 0.498 117.7 50.0-110.2 -2.3 36.0 -16.5 47.2 7 7 A b H < S+ 0 0 38 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.615 106.2 56.8-104.6 -18.2 39.7 -17.4 47.1 8 8 A T H < S- 0 0 123 -4,-0.8 2,-0.3 -5,-0.3 -2,-0.1 0.927 130.4 -8.1 -74.6 -46.3 40.7 -15.3 50.1 9 9 A S S < S- 0 0 86 -4,-0.6 -1,-0.3 -5,-0.2 2,-0.2 -0.890 96.4 -72.3-142.5 167.9 38.2 -17.2 52.3 10 10 A I - 0 0 152 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.417 38.2-144.2 -72.4 136.1 35.5 -19.8 51.6 11 11 A a - 0 0 15 -5,-0.4 2,-0.1 -2,-0.2 -5,-0.1 -0.814 17.8-131.5 -96.8 138.7 32.3 -18.7 49.8 12 12 A S > - 0 0 49 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.309 27.5-104.1 -80.5 170.9 29.1 -20.5 50.9 13 13 A L H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.854 125.4 54.9 -63.5 -32.3 26.6 -22.0 48.5 14 14 A Y H > S+ 0 0 187 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.894 108.3 46.7 -69.0 -39.1 24.4 -19.0 49.2 15 15 A Q H >4 S+ 0 0 79 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.908 113.0 49.3 -68.5 -40.0 27.2 -16.6 48.3 16 16 A L H >< S+ 0 0 10 -4,-2.6 3,-2.6 1,-0.2 4,-0.4 0.885 100.8 65.9 -64.1 -38.9 28.0 -18.6 45.1 17 17 A E H >< S+ 0 0 83 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.839 91.5 62.5 -50.4 -38.6 24.3 -18.5 44.2 18 18 A N T << S+ 0 0 143 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.508 98.4 56.6 -70.0 -2.6 24.5 -14.8 43.8 19 19 A Y T < S+ 0 0 65 -3,-2.6 28,-0.7 -4,-0.1 -1,-0.3 0.474 90.3 97.2-101.9 -9.7 27.0 -15.4 40.9 20 20 A c B < A 46 0A 18 -3,-1.7 26,-0.2 -4,-0.4 25,-0.1 -0.416 360.0 360.0 -78.4 155.8 24.5 -17.5 39.1 21 21 A N 0 0 97 24,-2.0 25,-0.1 -2,-0.1 -1,-0.1 0.575 360.0 360.0 -81.4 360.0 22.2 -16.3 36.3 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 0 201 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.2 52.7 -19.9 43.4 24 2 B V > + 0 0 75 1,-0.2 4,-2.4 2,-0.1 3,-0.3 -0.247 360.0 144.0-112.0 43.3 49.5 -20.0 41.4 25 3 B N H > S+ 0 0 110 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.888 73.2 48.0 -45.3 -53.5 46.9 -20.0 44.3 26 4 B Q H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.848 111.3 49.0 -60.3 -41.3 44.4 -17.8 42.4 27 5 B H H > S+ 0 0 93 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.889 115.0 44.2 -67.8 -40.0 44.5 -19.8 39.2 28 6 B L H X S+ 0 0 77 -4,-2.4 4,-1.3 2,-0.2 3,-0.4 0.920 113.7 50.7 -70.5 -44.0 44.1 -23.1 41.0 29 7 B b H X S+ 0 0 32 -4,-2.9 4,-2.0 -5,-0.3 3,-0.5 0.936 105.0 57.2 -57.7 -48.8 41.3 -21.7 43.2 30 8 B G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.800 99.9 59.0 -53.1 -33.6 39.4 -20.3 40.2 31 9 B S H X S+ 0 0 26 -4,-1.0 4,-1.3 -3,-0.4 -1,-0.3 0.943 108.9 43.9 -62.5 -46.4 39.3 -23.8 38.6 32 10 B H H X S+ 0 0 141 -4,-1.3 4,-1.7 -3,-0.5 -2,-0.2 0.834 109.2 59.3 -67.6 -33.5 37.4 -25.1 41.7 33 11 B L H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.944 105.9 45.0 -60.4 -50.7 35.2 -22.0 41.7 34 12 B V H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.817 110.9 54.7 -66.5 -27.5 33.8 -22.5 38.2 35 13 B E H X S+ 0 0 74 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.2 0.858 110.4 47.0 -71.7 -34.1 33.2 -26.2 39.0 36 14 B A H X S+ 0 0 28 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.912 112.2 49.0 -72.8 -41.2 31.2 -25.1 42.0 37 15 B L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.924 107.5 55.5 -62.7 -43.2 29.3 -22.5 40.0 38 16 B Y H X S+ 0 0 14 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.910 114.0 41.8 -54.4 -40.9 28.6 -25.2 37.4 39 17 B L H < S+ 0 0 113 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.924 120.7 38.8 -73.2 -47.6 27.1 -27.3 40.2 40 18 B V H < S+ 0 0 33 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.872 118.0 46.8 -73.0 -39.9 25.2 -24.6 42.0 41 19 B c H >< S+ 0 0 1 -4,-3.1 3,-1.5 -5,-0.3 4,-0.4 0.707 81.6 171.1 -78.6 -22.4 23.9 -22.7 39.0 42 20 B G G >< - 0 0 36 -4,-0.9 3,-1.4 -5,-0.4 -1,-0.2 -0.095 65.3 -4.7 52.4-138.4 22.7 -25.7 37.0 43 21 B E G 3 S+ 0 0 151 1,-0.3 -1,-0.2 59,-0.1 61,-0.2 0.696 126.2 70.5 -61.3 -21.2 20.7 -25.1 33.8 44 22 B R G < S- 0 0 117 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.812 90.0-159.2 -67.6 -29.6 20.6 -21.4 34.5 45 23 B G < - 0 0 0 -3,-1.4 -24,-2.0 -4,-0.4 2,-0.3 -0.235 2.0-125.9 78.0-173.1 24.3 -21.1 33.7 46 24 B F E -AB 20 101A 1 55,-2.1 55,-2.7 -26,-0.2 2,-0.4 -0.985 5.9-117.1-167.6 162.1 26.6 -18.3 34.9 47 25 B F E - B 0 100A 107 -28,-0.7 2,-0.6 -2,-0.3 53,-0.2 -0.897 21.2-156.7-108.1 139.9 29.1 -15.7 33.7 48 26 B Y E + B 0 99A 8 51,-3.0 51,-0.9 -2,-0.4 26,-0.2 -0.955 21.9 163.2-119.9 108.9 32.7 -15.9 35.0 49 27 B T - 0 0 43 -2,-0.6 2,-2.7 49,-0.2 -47,-0.4 -0.824 29.4-151.0-128.4 92.2 34.5 -12.6 34.9 50 28 B P + 0 0 34 0, 0.0 2,-0.5 0, 0.0 48,-0.0 -0.340 40.2 155.4 -63.7 77.4 37.6 -12.5 37.0 51 29 B K 0 0 137 -2,-2.7 -47,-0.1 1,-0.1 -2,-0.1 -0.938 360.0 360.0-115.3 116.1 37.3 -8.7 37.7 52 30 B T 0 0 167 -2,-0.5 -50,-0.1 -51,-0.1 -1,-0.1 0.243 360.0 360.0 -46.3 360.0 38.9 -7.2 40.8 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 35 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 178.5 24.3 -24.4 22.7 55 2 C I H > + 0 0 4 47,-0.3 4,-1.9 1,-0.2 5,-0.2 0.783 360.0 54.6 -63.3 -27.9 27.7 -25.3 23.8 56 3 C L H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.861 107.8 49.5 -73.9 -35.0 26.4 -28.7 25.0 57 4 C E H 4 S+ 0 0 105 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.825 119.2 37.4 -72.8 -31.0 25.0 -29.4 21.5 58 5 C Q H < S+ 0 0 82 -4,-1.7 4,-0.2 3,-0.1 -2,-0.2 0.719 130.3 26.5 -93.2 -23.1 28.3 -28.5 19.8 59 6 C d H < S+ 0 0 11 -4,-1.9 5,-0.4 -5,-0.2 -3,-0.2 0.455 112.0 59.3-121.5 -1.0 30.8 -29.9 22.3 60 7 C e S < S+ 0 0 39 -4,-1.6 3,-0.1 -5,-0.2 -3,-0.1 0.325 110.4 41.7-109.4 8.8 29.1 -32.7 24.2 61 8 C T S S+ 0 0 115 1,-0.6 2,-0.3 -4,-0.1 -2,-0.1 0.651 130.2 16.1-115.3 -41.0 28.4 -34.8 21.1 62 9 C S S S- 0 0 83 -4,-0.2 -1,-0.6 -5,-0.1 2,-0.3 -0.978 95.7 -97.0-134.4 142.7 31.7 -34.3 19.3 63 10 C I - 0 0 156 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.451 36.2-141.3 -68.8 126.0 34.9 -33.0 20.9 64 11 C d - 0 0 12 -5,-0.4 -5,-0.1 -2,-0.3 -1,-0.1 -0.622 14.6-121.8 -87.6 143.7 35.5 -29.2 20.3 65 12 C S > - 0 0 48 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.312 28.7-107.7 -75.5 165.2 38.9 -27.8 19.7 66 13 C L H > S+ 0 0 106 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.775 124.4 54.4 -65.7 -22.6 40.4 -25.2 22.0 67 14 C Y H 4 S+ 0 0 168 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.817 106.5 49.4 -78.8 -31.6 39.8 -22.8 19.2 68 15 C Q H >4 S+ 0 0 76 -3,-0.2 3,-0.8 1,-0.2 -2,-0.2 0.822 108.9 53.2 -75.2 -30.2 36.1 -23.8 19.0 69 16 C L H >< S+ 0 0 7 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.775 92.0 75.9 -73.8 -25.0 35.8 -23.3 22.7 70 17 C E G >< S+ 0 0 70 -4,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.702 78.5 72.3 -59.7 -21.7 37.2 -19.8 22.4 71 18 C N G < S+ 0 0 116 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.518 93.1 57.3 -72.7 -2.8 33.9 -18.5 21.0 72 19 C Y G < S+ 0 0 34 -3,-2.0 28,-2.0 2,-0.1 -1,-0.3 0.411 82.1 104.8-105.5 -2.1 32.5 -18.9 24.5 73 20 C f B < C 99 0A 10 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.388 360.0 360.0 -72.0 157.9 35.0 -16.6 26.1 74 21 C N 0 0 104 24,-2.5 -1,-0.1 -26,-0.2 -2,-0.1 -0.489 360.0 360.0 -73.2 360.0 33.7 -13.2 27.0 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 0 240 0, 0.0 2,-0.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 135.7 23.1 -41.7 32.4 77 2 D V > + 0 0 90 1,-0.2 4,-2.1 2,-0.1 3,-0.3 -0.228 360.0 137.7 -86.5 45.4 23.8 -38.1 33.3 78 3 D N H > + 0 0 107 -2,-0.9 4,-3.2 1,-0.2 -1,-0.2 0.874 67.3 54.4 -59.9 -41.7 26.5 -37.9 30.6 79 4 D Q H > S+ 0 0 124 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.852 109.8 49.5 -60.7 -35.6 25.4 -34.4 29.5 80 5 D H H > S+ 0 0 89 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.914 112.8 45.6 -68.8 -45.2 25.9 -33.3 33.1 81 6 D L H X S+ 0 0 81 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.888 111.8 53.2 -66.6 -38.8 29.3 -34.8 33.4 82 7 D e H >X S+ 0 0 29 -4,-3.2 4,-2.1 1,-0.2 3,-1.0 0.964 103.8 55.3 -61.6 -50.9 30.3 -33.4 30.0 83 8 D G H 3X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.851 101.6 58.6 -50.2 -38.7 29.3 -29.9 31.0 84 9 D S H 3X S+ 0 0 25 -4,-1.4 4,-1.3 1,-0.2 -1,-0.3 0.886 108.8 44.4 -60.4 -37.6 31.6 -30.1 34.1 85 10 D H H < S+ 0 0 2 -4,-3.0 3,-2.0 -5,-0.3 4,-0.3 0.666 79.1 173.6 -71.5 -18.2 39.6 -18.1 28.2 95 20 D G G >< - 0 0 42 -4,-0.9 3,-1.4 -3,-0.3 -1,-0.2 -0.133 69.2 -3.8 48.8-133.5 42.1 -16.9 30.7 96 21 D E G 3 S+ 0 0 191 1,-0.3 -1,-0.3 -47,-0.1 -2,-0.1 0.680 126.8 71.3 -64.2 -18.5 41.6 -13.3 31.9 97 22 D R G < S- 0 0 114 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.797 88.4-157.5 -69.0 -28.1 38.7 -13.0 29.5 98 23 D G < - 0 0 1 -3,-1.4 -24,-2.5 -4,-0.3 2,-0.3 -0.065 11.4-117.2 69.6 176.8 36.5 -15.3 31.6 99 24 D F E -BC 48 73A 0 -51,-0.9 -51,-3.0 -26,-0.3 2,-0.5 -0.831 3.5-118.9-143.5 179.2 33.6 -17.0 29.8 100 25 D F E -B 47 0A 55 -28,-2.0 2,-0.7 -2,-0.3 -53,-0.2 -0.994 17.0-164.3-128.5 122.9 29.9 -17.4 29.7 101 26 D Y E +B 46 0A 7 -55,-2.7 -55,-2.1 -2,-0.5 -2,-0.0 -0.911 23.1 156.6-109.4 103.7 28.3 -20.8 30.3 102 27 D T > - 0 0 41 -2,-0.7 3,-0.6 -57,-0.2 -47,-0.3 -0.701 16.5-177.9-131.2 80.5 24.8 -20.7 29.1 103 28 D P T 3 S+ 0 0 12 0, 0.0 -47,-0.1 0, 0.0 -46,-0.1 0.465 79.8 54.4 -55.9 -5.2 23.6 -24.3 28.3 104 29 D K T 3 0 0 153 -61,-0.2 -3,-0.0 -60,-0.1 -61,-0.0 -0.402 360.0 360.0-132.6 60.4 20.3 -23.0 27.2 105 30 D T < 0 0 144 -3,-0.6 -3,-0.0 -2,-0.0 0, 0.0 -0.540 360.0 360.0 -89.9 360.0 20.8 -20.3 24.5