==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 18-JUN-99 1QJ0 . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.TANG,J.L.WHITTINGHAM,C.S.VERMA,L.S.D.CAVES,G.G.DODSON . 100 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 66.0 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 8.0 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 2 1 0 0 0 0 0 1 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 . 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 46 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-148.4 -8.1 16.9 13.1 2 2 A I H > + 0 0 9 46,-0.3 4,-2.2 2,-0.2 5,-0.2 0.769 360.0 57.0 -71.1 -25.7 -8.6 13.8 11.0 3 3 A V H > S+ 0 0 2 45,-0.2 4,-1.7 2,-0.2 5,-0.4 0.952 107.9 44.7 -67.8 -51.2 -5.6 12.2 12.7 4 4 A E H > S+ 0 0 134 1,-0.2 4,-0.6 2,-0.2 5,-0.3 0.907 122.7 39.2 -67.4 -28.8 -7.1 12.5 16.2 5 5 A Q H < S+ 0 0 97 -4,-2.0 4,-0.3 1,-0.1 -1,-0.2 0.786 122.7 36.4 -82.2 -41.6 -10.5 11.3 14.9 6 6 A a H < S+ 0 0 14 -4,-2.2 5,-0.4 -5,-0.2 -3,-0.2 0.644 113.1 55.1 -96.7 7.6 -9.6 8.5 12.4 7 7 A b H < S+ 0 0 29 -4,-1.7 -3,-0.1 -5,-0.2 17,-0.1 0.756 112.5 40.0-103.6 -27.6 -6.7 7.1 14.2 8 8 A T S < S+ 0 0 96 -4,-0.6 2,-0.1 -5,-0.4 -3,-0.1 0.941 129.0 14.5 -79.6 -82.9 -8.4 6.4 17.5 9 9 A S S S- 0 0 68 -5,-0.3 2,-0.4 -4,-0.3 -1,-0.1 -0.409 96.8 -98.7 -77.6 167.9 -11.8 5.1 16.5 10 10 A I - 0 0 157 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.1 -0.725 33.3-146.0 -86.1 140.4 -12.4 4.1 12.9 11 11 A a - 0 0 17 -2,-0.4 2,-0.1 -5,-0.4 -5,-0.1 -0.747 7.8-136.6 -97.1 150.5 -14.1 6.5 10.4 12 12 A S > - 0 0 51 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.272 36.4 -93.6 -86.9 175.2 -16.5 5.6 7.5 13 13 A L H > S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.752 125.9 54.6 -60.7 -33.1 -16.4 6.9 4.0 14 14 A Y H > S+ 0 0 177 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.883 110.5 41.5 -75.9 -37.3 -19.0 9.5 5.0 15 15 A Q H 4 S+ 0 0 83 2,-0.2 3,-0.5 1,-0.2 4,-0.2 0.898 115.6 54.8 -68.7 -36.7 -16.9 10.9 8.0 16 16 A L H >< S+ 0 0 11 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.880 96.9 63.7 -64.0 -30.6 -13.9 10.6 5.6 17 17 A E H >< S+ 0 0 84 -4,-1.5 3,-1.9 1,-0.3 -1,-0.2 0.796 84.6 76.3 -76.7 -11.7 -15.6 12.7 2.9 18 18 A N T 3< S+ 0 0 129 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.754 93.0 53.4 -69.8 -27.8 -15.7 15.6 5.3 19 19 A Y T < S+ 0 0 79 -3,-2.0 27,-0.6 -4,-0.2 -1,-0.3 0.265 87.6 102.9 -87.6 -11.9 -12.0 16.1 4.6 20 20 A c B < A 45 0A 16 -3,-1.9 25,-0.2 25,-0.1 24,-0.1 -0.371 360.0 360.0 -62.9 165.7 -12.3 16.2 0.8 21 21 A N 0 0 93 23,-2.5 24,-0.1 -2,-0.1 -1,-0.1 -0.030 360.0 360.0 -81.4 360.0 -12.1 19.5 -1.2 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 2 B V 0 0 173 0, 0.0 2,-0.8 0, 0.0 -15,-0.1 0.000 360.0 360.0 360.0 -95.9 -1.1 6.4 19.1 24 3 B N > + 0 0 86 1,-0.2 4,-2.3 -17,-0.1 3,-0.3 -0.686 360.0 173.6-114.4 85.3 1.1 5.9 16.0 25 4 B Q H > S+ 0 0 106 -2,-0.8 4,-3.0 1,-0.2 -1,-0.2 0.767 72.2 60.5 -64.8 -41.7 0.2 8.8 13.6 26 5 B Y H > S+ 0 0 160 2,-0.2 4,-1.2 3,-0.2 -1,-0.2 0.922 112.5 37.9 -56.5 -46.4 2.9 8.1 11.0 27 6 B L H > S+ 0 0 98 -3,-0.3 4,-1.1 2,-0.2 3,-0.2 0.922 120.3 48.0 -65.7 -46.6 1.5 4.5 10.2 28 7 B b H >X S+ 0 0 27 -4,-2.3 4,-2.2 1,-0.2 3,-0.5 0.918 107.5 56.7 -59.9 -42.5 -2.1 5.7 10.6 29 8 B G H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.839 100.5 57.5 -57.7 -45.1 -1.4 8.8 8.4 30 9 B S H 3X S+ 0 0 23 -4,-1.2 4,-1.1 -3,-0.2 -1,-0.2 0.857 110.1 43.4 -59.0 -38.1 -0.3 6.6 5.5 31 10 B H H X S+ 0 0 28 -4,-2.8 4,-2.0 1,-0.2 3,-0.6 0.922 110.7 48.7 -64.4 -34.7 -8.4 6.4 2.1 36 15 B L H 3X S+ 0 0 2 -4,-3.5 4,-2.1 1,-0.2 5,-0.5 0.826 104.6 58.0 -68.2 -31.4 -8.8 10.0 1.1 37 16 B Y H 3X S+ 0 0 65 -4,-1.4 4,-0.8 -5,-0.3 -1,-0.2 0.872 110.9 44.1 -64.7 -30.5 -7.4 9.5 -2.4 38 17 B L H << S+ 0 0 132 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.949 120.6 35.9 -77.4 -53.5 -10.2 6.9 -3.0 39 18 B V H < S+ 0 0 37 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.921 120.6 46.5 -77.2 -31.2 -13.2 8.7 -1.6 40 19 B c H >< S+ 0 0 2 -4,-2.1 3,-0.9 -5,-0.3 4,-0.4 0.896 78.4 158.1 -78.5 -24.1 -12.2 12.3 -2.7 41 20 B G G >< S+ 0 0 28 -4,-0.8 3,-1.6 -5,-0.5 61,-0.1 -0.068 71.9 4.8 49.4-124.9 -11.2 11.3 -6.3 42 21 B E G 3 S+ 0 0 127 1,-0.3 60,-0.6 59,-0.1 -1,-0.2 0.928 127.3 64.6 -69.0 -27.0 -11.3 14.3 -8.7 43 22 B R G < S- 0 0 111 -3,-0.9 -1,-0.3 58,-0.1 -2,-0.2 0.719 89.2-166.0 -66.9 -27.6 -12.1 16.7 -5.7 44 23 B G < - 0 0 0 -3,-1.6 -23,-2.5 -4,-0.4 2,-0.3 0.093 6.0-127.0 54.9-176.3 -8.6 16.0 -4.1 45 24 B F E -AB 20 99A 0 54,-1.3 54,-2.7 -25,-0.2 2,-0.4 -0.939 4.6-115.5-150.6 172.2 -7.8 17.0 -0.5 46 25 B F E - B 0 98A 106 -27,-0.6 2,-0.6 -2,-0.3 52,-0.2 -0.900 24.4-151.4-105.6 143.8 -5.4 18.8 1.7 47 26 B Y E + B 0 97A 9 50,-2.8 50,-1.4 -2,-0.4 25,-0.1 -0.952 22.9 165.0-122.5 112.8 -3.5 16.8 4.3 48 27 B T - 0 0 72 -2,-0.6 -46,-0.3 48,-0.2 -45,-0.2 -0.916 19.5-174.7-127.4 107.2 -2.5 18.6 7.5 49 28 B P 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -46,-0.1 0.740 360.0 360.0 -72.0 -11.7 -1.4 16.7 10.5 50 29 B K 0 0 152 44,-0.3 44,-0.0 45,-0.1 46,-0.0 -0.158 360.0 360.0 43.8 360.0 -1.2 19.9 12.7 51 !* 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 52 1 C G > 0 0 59 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 122.6 -0.7 20.2 -12.3 53 2 C I H > + 0 0 2 47,-0.6 4,-1.8 2,-0.2 5,-0.4 0.903 360.0 45.9 -70.8 -44.6 0.5 17.3 -10.2 54 3 C V H >>S+ 0 0 32 46,-0.3 4,-2.9 1,-0.2 5,-1.8 0.925 114.4 51.8 -59.2 -45.7 -0.8 14.4 -12.4 55 4 C E H 45S+ 0 0 74 1,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.867 115.2 40.3 -59.5 -37.6 0.7 16.2 -15.3 56 5 C Q H <5S+ 0 0 61 -4,-1.8 -1,-0.2 3,-0.1 -2,-0.2 0.665 131.8 18.9 -83.9 -35.5 4.1 16.6 -13.7 57 6 C d H <5S+ 0 0 0 -4,-1.8 22,-3.0 -5,-0.2 5,-0.3 0.633 125.1 43.2-114.9 -13.3 4.6 13.3 -12.0 58 7 C e T <5S+ 0 0 30 -4,-2.9 -3,-0.2 -5,-0.4 -4,-0.1 0.819 127.5 23.0-102.5 -41.7 2.1 10.7 -13.6 59 8 C T S > - 0 0 54 -2,-0.3 4,-1.8 13,-0.1 3,-1.0 -0.516 39.6 -91.8 -83.6 175.3 12.3 14.6 -9.2 64 13 C L H 3> S+ 0 0 77 1,-0.3 4,-1.6 2,-0.2 3,-0.4 0.891 126.7 53.5 -49.9 -39.6 12.3 15.0 -5.4 65 14 C Y H 34 S+ 0 0 165 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.762 107.2 52.0 -73.1 -29.0 12.5 18.9 -5.8 66 15 C Q H <4 S+ 0 0 62 -3,-1.0 3,-0.3 2,-0.2 -1,-0.3 0.774 108.7 48.6 -80.0 -27.7 9.4 18.8 -8.0 67 16 C L H >< S+ 0 0 0 -4,-1.8 3,-2.0 -3,-0.4 -2,-0.2 0.829 101.7 65.5 -81.0 -22.3 7.3 16.8 -5.5 68 17 C E G >< S+ 0 0 82 -4,-1.6 3,-1.8 1,-0.3 -1,-0.2 0.747 85.0 73.3 -69.8 -14.5 8.4 19.2 -2.8 69 18 C N G 3 S+ 0 0 90 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.701 94.0 54.8 -70.4 -9.8 6.4 21.9 -4.6 70 19 C Y G < S+ 0 0 22 -3,-2.0 28,-2.2 -4,-0.1 -1,-0.3 0.433 83.4 104.6-104.4 3.0 3.2 20.2 -3.4 71 20 C f B < C 97 0A 9 -3,-1.8 26,-0.3 26,-0.2 25,-0.1 -0.160 360.0 360.0 -75.8 167.7 4.1 20.2 0.2 72 21 C N 0 0 103 24,-1.7 -1,-0.1 20,-0.1 -2,-0.1 -0.678 360.0 360.0 -83.4 360.0 2.2 22.9 2.3 73 !* 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 74 1 D F 0 0 125 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.6 14.7 9.1 -4.8 75 2 D V - 0 0 74 1,-0.1 2,-0.5 -12,-0.1 -11,-0.1 -0.240 360.0-140.2 -60.6 153.7 13.2 6.9 -7.5 76 3 D N + 0 0 133 -13,-0.1 2,-0.3 -15,-0.0 -1,-0.1 -0.794 59.3 108.8-111.0 69.4 13.0 7.9 -11.2 77 4 D Q S S- 0 0 119 -2,-0.5 2,-0.5 -15,-0.3 -15,-0.5 -0.906 75.9 -84.5-148.8 167.3 9.6 6.7 -12.2 78 5 D Y - 0 0 146 -2,-0.3 2,-0.6 -17,-0.1 -20,-0.2 -0.685 43.0-157.8 -67.1 117.8 6.0 7.6 -13.2 79 6 D L + 0 0 18 -22,-3.0 2,-0.3 -2,-0.5 -19,-0.1 -0.847 23.0 159.7-109.4 122.4 4.1 8.1 -10.0 80 7 D e >> - 0 0 41 -2,-0.6 3,-1.4 -22,-0.1 4,-0.9 -0.898 42.2 -6.6-138.8 166.5 0.3 7.8 -10.2 81 8 D G H 3> S- 0 0 22 -2,-0.3 4,-1.5 1,-0.3 3,-0.4 -0.112 128.5 -12.0 47.7-133.7 -2.9 7.1 -8.2 82 9 D S H 3> S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.787 132.2 67.2 -75.5 -17.2 -2.1 6.2 -4.6 83 10 D H H <> S+ 0 0 136 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.953 102.0 47.1 -66.0 -42.9 1.6 5.7 -5.4 84 11 D L H X S+ 0 0 1 -4,-0.9 4,-2.3 -3,-0.4 -2,-0.2 0.953 112.3 50.5 -63.4 -40.1 1.9 9.5 -6.0 85 12 D V H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.881 109.2 49.6 -66.3 -38.4 0.0 10.3 -2.8 86 13 D E H X S+ 0 0 52 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.935 108.2 54.2 -69.9 -28.6 2.1 8.1 -0.7 87 14 D A H X S+ 0 0 12 -4,-2.1 4,-3.4 1,-0.3 5,-0.3 0.944 110.3 48.1 -66.1 -42.1 5.3 9.7 -2.2 88 15 D L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.804 109.1 51.1 -59.7 -54.3 3.9 13.0 -1.2 89 16 D Y H X S+ 0 0 28 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.886 114.8 45.8 -45.9 -48.9 3.0 11.8 2.3 90 17 D L H < S+ 0 0 117 -4,-2.8 -2,-0.2 1,-0.2 3,-0.2 0.937 116.9 40.7 -63.4 -52.8 6.6 10.5 2.7 91 18 D V H < S+ 0 0 22 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.770 113.7 51.0 -76.8 -19.7 8.5 13.5 1.3 92 19 D f H >X S+ 0 0 2 -4,-1.7 3,-2.1 -5,-0.3 4,-0.7 0.660 80.7 178.8 -96.8 -12.3 6.4 16.4 2.9 93 20 D G G >< - 0 0 43 -4,-0.7 3,-1.6 1,-0.3 -1,-0.2 -0.069 66.1 -8.5 60.1-153.4 6.6 15.0 6.3 94 21 D E G 34 S+ 0 0 183 1,-0.3 -44,-0.3 -46,-0.1 -1,-0.3 0.711 125.3 74.8 -67.9 -5.0 4.9 17.1 9.0 95 22 D R G <4 S- 0 0 119 -3,-2.1 -1,-0.3 -46,-0.1 -2,-0.2 0.890 88.2-156.7 -70.0 -30.9 4.3 19.9 6.5 96 23 D G << - 0 0 1 -3,-1.6 -24,-1.7 -4,-0.7 2,-0.3 -0.350 9.3-131.0 75.7-173.2 1.5 17.8 4.9 97 24 D F E -BC 47 71A 0 -50,-1.4 -50,-2.8 -26,-0.3 2,-0.4 -0.953 3.1-106.3-160.9 179.8 0.6 18.5 1.3 98 25 D F E -B 46 0A 53 -28,-2.2 2,-0.5 -2,-0.3 -52,-0.2 -0.969 18.0-164.3-127.8 150.6 -2.1 19.2 -1.2 99 26 D Y E +B 45 0A 11 -54,-2.7 -54,-1.3 -2,-0.4 -2,-0.0 -0.986 18.3 161.0-134.1 109.8 -3.4 16.9 -3.9 100 27 D T + 0 0 61 -2,-0.5 -47,-0.6 -56,-0.2 -46,-0.3 -0.864 4.6 170.0-130.9 87.9 -5.5 18.4 -6.6 101 28 D P + 0 0 16 0, 0.0 -46,-0.1 0, 0.0 -47,-0.1 0.687 34.6 119.5 -77.7 -15.9 -5.5 16.0 -9.5 102 29 D K 0 0 136 -60,-0.6 -49,-0.1 -61,-0.1 -48,-0.1 -0.075 360.0 360.0 -63.8 151.7 -8.1 17.6 -11.7 103 30 D T 0 0 179 -51,-0.1 -1,-0.0 -49,-0.1 -49,-0.0 0.130 360.0 360.0 -42.6 360.0 -7.1 18.8 -15.2