==== 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 19-SEP-02 1MSO . COMPND 2 MOLECULE: INSULIN A-CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR G.D.SMITH,W.A.PANGBORN,R.H.BLESSING . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6160.0 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 . 10 9.8 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.9 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 2 0 0 0 0 0 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 . 3 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 61 0, 0.0 4,-3.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-170.2 -9.4 16.9 12.9 2 2 A I H > + 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 360.0 57.3 -62.0 -35.9 -10.3 14.1 10.6 3 3 A V H > S+ 0 0 18 46,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.921 113.6 38.9 -62.6 -42.2 -6.7 12.8 10.5 4 4 A E H >> S+ 0 0 50 -3,-0.2 4,-3.1 2,-0.2 3,-0.6 0.915 113.9 53.8 -74.1 -42.8 -6.7 12.4 14.3 5 5 A Q H 3X S+ 0 0 61 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.911 105.8 52.6 -58.7 -46.2 -10.3 11.1 14.6 6 6 A a H 3< S+ 0 0 0 -4,-2.3 22,-1.9 -5,-0.2 5,-0.2 0.808 117.5 38.9 -60.2 -28.7 -9.9 8.4 12.1 7 7 A b H << S+ 0 0 43 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.860 122.4 36.7 -91.2 -41.9 -6.9 7.1 13.9 8 8 A T H < S+ 0 0 121 -4,-3.1 -3,-0.2 20,-0.1 -2,-0.2 0.778 137.6 1.3 -85.2 -24.6 -7.9 7.5 17.6 9 9 A S S < S- 0 0 70 -4,-2.3 2,-0.3 -5,-0.4 19,-0.1 -0.006 98.4 -80.6-125.9-129.3 -11.5 6.6 17.1 10 10 A I - 0 0 83 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.937 36.2-163.4-139.0 164.9 -13.2 5.6 13.8 11 11 A a B -A 26 0A 2 15,-2.1 15,-3.0 -2,-0.3 2,-0.2 -0.973 15.3-121.9-148.5 157.7 -14.6 7.6 10.9 12 12 A S > - 0 0 20 -2,-0.3 4,-2.0 13,-0.2 3,-0.2 -0.640 24.0-118.5 -99.9 162.5 -16.9 7.0 8.0 13 13 A L H > S+ 0 0 44 11,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.794 117.2 58.8 -66.6 -26.5 -16.3 7.3 4.3 14 14 A Y H > S+ 0 0 140 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.865 104.3 49.1 -70.8 -37.7 -19.0 10.0 4.3 15 15 A Q H >4 S+ 0 0 75 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.898 110.3 52.5 -64.3 -41.0 -16.9 12.0 6.8 16 16 A L H >< S+ 0 0 0 -4,-2.0 3,-2.5 1,-0.2 -2,-0.2 0.858 96.0 68.5 -62.0 -36.3 -13.9 11.6 4.5 17 17 A E H >< S+ 0 0 74 -4,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.758 84.1 71.2 -57.1 -23.1 -15.8 12.8 1.6 18 18 A N T << S+ 0 0 125 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.651 93.1 57.7 -68.6 -12.5 -15.9 16.3 3.1 19 19 A Y T < S+ 0 0 82 -3,-2.5 28,-2.0 -4,-0.2 -1,-0.3 0.390 81.7 108.2 -96.8 1.0 -12.1 16.5 2.3 20 20 A c B < B 46 0B 21 -3,-1.7 26,-0.3 26,-0.2 25,-0.1 -0.453 360.0 360.0 -72.7 152.1 -12.6 16.0 -1.4 21 21 A N 0 0 101 24,-1.9 -1,-0.1 80,-0.2 -2,-0.1 -0.389 360.0 360.0 -75.5 360.0 -12.0 19.0 -3.6 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 0 185 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 159.7 -20.3 1.2 3.8 24 2 B V - 0 0 101 1,-0.1 -11,-0.4 -13,-0.0 2,-0.1 -0.759 360.0 -99.6-114.6 161.8 -18.7 0.5 7.1 25 3 B N - 0 0 95 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.425 42.4-152.8 -74.9 154.6 -16.8 2.7 9.5 26 4 B Q B -A 11 0A 92 -15,-3.0 -15,-2.1 -2,-0.1 2,-0.6 -0.978 19.7-139.3-137.2 155.2 -13.0 2.4 9.4 27 5 B H + 0 0 117 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.937 35.6 177.0-110.3 108.4 -10.0 2.9 11.7 28 6 B L + 0 0 16 -22,-1.9 2,-0.3 -2,-0.6 -19,-0.1 -0.964 8.6 171.2-130.9 118.0 -7.3 4.6 9.6 29 7 B b > - 0 0 44 -2,-0.5 3,-1.8 -22,-0.1 4,-0.3 -0.851 52.7 -19.8-120.5 154.2 -3.9 5.8 10.7 30 8 B G T >> S- 0 0 29 -2,-0.3 3,-1.4 1,-0.3 4,-0.8 -0.145 128.5 -3.9 56.2-136.2 -1.0 7.2 8.7 31 9 B S H 3> S+ 0 0 31 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.698 123.3 73.6 -67.2 -18.1 -0.8 6.5 5.1 32 10 B H H <> S+ 0 0 126 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.844 93.9 53.5 -65.4 -30.2 -3.9 4.3 5.3 33 11 B L H <> S+ 0 0 1 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.913 106.5 51.9 -67.5 -39.0 -6.0 7.5 5.7 34 12 B V H X S+ 0 0 0 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.891 108.3 51.5 -61.7 -42.0 -4.4 8.9 2.5 35 13 B E H X S+ 0 0 52 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.897 110.0 49.7 -61.5 -42.8 -5.3 5.7 0.6 36 14 B A H X S+ 0 0 14 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.912 109.9 49.9 -65.1 -44.5 -8.9 6.0 1.8 37 15 B L H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.908 108.1 55.0 -58.6 -40.9 -9.2 9.6 0.7 38 16 B Y H X S+ 0 0 59 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.933 112.4 42.1 -58.8 -45.6 -7.8 8.7 -2.6 39 17 B L H < S+ 0 0 131 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.910 115.8 47.4 -69.0 -43.5 -10.5 6.1 -3.2 40 18 B V H < S+ 0 0 32 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 119.9 37.3 -64.8 -41.8 -13.4 8.1 -1.8 41 19 B c H >< S+ 0 0 3 -4,-2.6 3,-2.1 -5,-0.2 4,-0.2 0.756 79.7 171.5 -86.9 -26.0 -12.6 11.2 -3.8 42 20 B G G >< S- 0 0 32 -4,-1.9 3,-2.1 -5,-0.3 -1,-0.2 -0.174 71.7 -2.6 54.2-137.3 -11.4 9.9 -7.0 43 21 B E G 3 S+ 0 0 166 1,-0.3 61,-0.4 60,-0.1 -1,-0.3 0.639 124.6 73.1 -64.5 -12.5 -10.8 12.5 -9.7 44 22 B R G < S- 0 0 103 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.826 90.8-154.5 -68.9 -28.7 -12.1 15.2 -7.4 45 23 B G < - 0 0 0 -3,-2.1 -24,-1.9 -7,-0.2 2,-0.3 -0.206 7.2-133.0 75.2-177.4 -8.8 14.9 -5.4 46 24 B F E -BC 20 101B 0 55,-1.9 55,-3.0 -26,-0.3 2,-0.4 -0.975 6.8-110.5-163.2 171.3 -8.6 15.9 -1.8 47 25 B F E - C 0 100B 81 -28,-2.0 2,-0.6 -2,-0.3 53,-0.2 -0.953 19.6-154.7-115.9 135.6 -6.7 17.8 0.9 48 26 B Y E + C 0 99B 10 51,-2.9 51,-1.9 -2,-0.4 26,-0.2 -0.954 22.0 169.8-109.4 113.5 -4.8 16.0 3.6 49 27 B T - 0 0 77 -2,-0.6 -46,-0.4 49,-0.2 -47,-0.2 -0.732 8.7-175.7-135.7 87.7 -4.5 18.2 6.7 50 28 B P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.336 38.0 -96.1 -72.3 160.9 -3.3 16.8 9.9 51 29 B K 0 0 139 -50,-0.1 47,-0.1 -2,-0.0 0, 0.0 -0.497 360.0 360.0 -71.6 148.9 -3.1 18.8 13.1 52 30 B T 0 0 170 -2,-0.2 45,-0.0 -3,-0.1 -1,-0.0 -0.715 360.0 360.0-111.7 360.0 0.2 20.4 13.8 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 32 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-171.4 -0.9 19.7 -12.6 55 2 C I H >> + 0 0 1 47,-0.3 4,-3.1 1,-0.2 5,-0.6 0.840 360.0 55.8 -54.2 -36.3 0.8 17.1 -10.4 56 3 C V H >>S+ 0 0 28 49,-0.3 5,-2.8 46,-0.2 4,-1.9 0.948 109.5 45.4 -66.8 -42.3 -0.5 14.2 -12.6 57 4 C E H 4>S+ 0 0 95 3,-0.2 5,-2.0 -3,-0.2 -1,-0.2 0.917 119.4 41.8 -67.3 -39.2 1.1 15.7 -15.7 58 5 C Q H <5S+ 0 0 70 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.950 130.0 21.0 -72.4 -45.1 4.4 16.4 -13.9 59 6 C d H <5S+ 0 0 0 -4,-3.1 22,-2.8 -5,-0.2 5,-0.4 0.674 131.7 29.8-103.1 -21.5 4.8 13.3 -11.8 60 7 C e T < - 0 0 24 -2,-0.3 4,-1.8 13,-0.1 5,-0.1 -0.434 35.6-107.9 -86.4 168.0 11.8 14.2 -8.2 66 13 C L H > S+ 0 0 92 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.829 122.7 59.0 -66.0 -27.3 10.8 14.1 -4.5 67 14 C Y H 4 S+ 0 0 185 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.887 103.9 49.3 -65.7 -41.5 11.8 17.7 -4.4 68 15 C Q H >4 S+ 0 0 71 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.876 103.3 61.5 -65.4 -33.1 9.3 18.6 -7.0 69 16 C L H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.3 -1,-0.2 0.800 90.2 69.6 -61.5 -27.3 6.7 16.6 -5.1 70 17 C E G >< S+ 0 0 77 -4,-1.0 3,-1.5 -3,-0.4 -1,-0.3 0.700 79.3 78.2 -66.0 -15.3 7.2 19.1 -2.2 71 18 C N G < S+ 0 0 104 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.707 92.2 52.8 -62.1 -20.0 5.6 21.7 -4.4 72 19 C Y G < S+ 0 0 29 -3,-2.1 28,-2.0 -4,-0.2 -1,-0.3 0.296 85.5 105.6-102.3 6.5 2.2 20.1 -3.5 73 20 C f B < D 99 0B 12 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.546 360.0 360.0 -78.9 153.9 2.7 20.3 0.2 74 21 C N 0 0 97 24,-2.1 -1,-0.1 -2,-0.2 24,-0.1 -0.183 360.0 360.0 -90.2 360.0 0.8 22.8 2.3 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 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.1 20.0 8.9 -11.5 77 2 D V - 0 0 121 1,-0.0 2,-0.1 -12,-0.0 -13,-0.0 -0.846 360.0-110.4-114.5 152.6 16.6 9.5 -13.2 78 3 D N - 0 0 70 -2,-0.3 2,-0.2 1,-0.1 -13,-0.1 -0.290 20.8-134.0 -82.8 162.0 13.2 9.5 -11.7 79 4 D Q - 0 0 135 -15,-0.3 -15,-0.8 -2,-0.1 2,-0.3 -0.501 29.7 -92.6-103.7 174.6 10.2 7.2 -12.0 80 5 D H - 0 0 112 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.710 32.2-162.9 -90.3 140.5 6.5 7.7 -12.7 81 6 D L + 0 0 41 -22,-2.8 2,-0.3 -2,-0.3 -20,-0.1 -0.973 18.3 172.4-127.7 115.4 4.2 8.0 -9.7 82 7 D e > - 0 0 48 -2,-0.5 3,-1.7 -22,-0.1 4,-0.3 -0.930 41.2 -28.0-129.6 148.0 0.6 7.6 -10.4 83 8 D G T >> S+ 0 0 16 -2,-0.3 4,-1.9 1,-0.3 3,-0.6 -0.228 127.5 2.2 59.6-131.5 -2.7 7.3 -8.5 84 9 D S H 3> S+ 0 0 30 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.810 132.8 58.6 -63.2 -27.0 -2.4 5.9 -5.0 85 10 D H H <> S+ 0 0 127 -3,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.875 103.7 52.4 -67.6 -34.5 1.3 5.7 -5.4 86 11 D L H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.3 -2,-0.2 0.919 110.9 45.3 -66.6 -46.3 1.5 9.4 -6.1 87 12 D V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.847 109.1 56.5 -71.0 -27.3 -0.5 10.3 -2.9 88 13 D E H X S+ 0 0 59 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.920 109.2 47.9 -62.2 -41.3 1.6 7.8 -0.9 89 14 D A H X S+ 0 0 13 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.906 110.1 50.5 -66.3 -37.6 4.6 9.8 -2.1 90 15 D L H X>S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.5 0.923 109.7 51.4 -64.7 -43.3 2.9 13.1 -1.2 91 16 D Y H X5S+ 0 0 66 -4,-2.6 4,-2.4 3,-0.2 -2,-0.2 0.938 112.2 47.2 -58.2 -44.5 2.2 11.7 2.3 92 17 D L H <5S+ 0 0 131 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.936 118.2 39.0 -63.6 -46.4 5.9 10.7 2.7 93 18 D V H <5S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.856 128.9 29.2 -74.0 -34.1 7.3 14.0 1.5 94 19 D f H ><5S+ 0 0 5 -4,-2.9 3,-2.3 -5,-0.2 4,-0.2 0.806 75.6 154.0 -98.4 -38.8 4.8 16.3 3.2 95 20 D G G >< + 0 0 16 -2,-0.6 3,-1.2 -57,-0.2 -47,-0.3 -0.781 10.4 174.8-129.8 84.4 -5.8 17.8 -7.3 103 28 D P T 3 S+ 0 0 26 0, 0.0 -46,-0.2 0, 0.0 -1,-0.1 0.762 76.9 61.6 -62.7 -24.4 -5.6 15.8 -10.5 104 29 D K T 3 0 0 183 -61,-0.4 -60,-0.1 -60,-0.1 -59,-0.0 0.679 360.0 360.0 -77.6 -15.5 -7.9 18.1 -12.4 105 30 D T < 0 0 118 -3,-1.2 -49,-0.3 0, 0.0 -3,-0.0 -0.394 360.0 360.0 -69.7 360.0 -5.6 21.0 -12.0