==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 14-SEP-11 3TT8 . COMPND 2 MOLECULE: INSULIN A-CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.PRUGOVECKI,D.MATKOVIC-CALOGOVIC . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 62.7 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 . 2 2.0 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 . 31 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 66 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-164.8 -9.6 17.0 13.1 2 2 A I H > + 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 360.0 55.5 -62.6 -35.4 -10.4 14.2 10.6 3 3 A V H > S+ 0 0 16 46,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.944 115.0 38.9 -67.0 -41.5 -6.8 12.9 10.6 4 4 A E H > S+ 0 0 48 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.924 114.6 53.8 -71.9 -41.8 -6.8 12.5 14.3 5 5 A Q H X S+ 0 0 65 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.911 106.4 50.5 -58.0 -49.4 -10.4 11.3 14.6 6 6 A a H < S+ 0 0 0 -4,-2.4 22,-2.0 -5,-0.2 5,-0.2 0.813 118.4 40.9 -63.5 -27.8 -10.0 8.4 12.1 7 7 A b H < S+ 0 0 42 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.873 122.2 34.7 -88.3 -43.6 -6.9 7.2 14.0 8 8 A T H < S- 0 0 121 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.780 138.3 -0.8 -85.3 -25.9 -7.8 7.6 17.6 9 9 A S S < S- 0 0 72 -4,-2.2 2,-0.3 -5,-0.4 19,-0.1 -0.009 98.2 -73.5-125.1-123.9 -11.5 6.7 17.2 10 10 A I - 0 0 86 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.946 35.9-167.8-138.7 162.1 -13.4 5.8 14.0 11 11 A a B -A 26 0A 1 15,-2.1 15,-2.8 -2,-0.3 2,-0.2 -0.973 16.4-124.7-145.8 159.5 -14.6 7.7 11.0 12 12 A S > - 0 0 21 -2,-0.3 4,-2.1 13,-0.2 5,-0.2 -0.653 24.3-118.2-102.2 161.6 -17.0 7.1 8.1 13 13 A L H > S+ 0 0 37 11,-0.4 4,-1.6 -2,-0.2 -1,-0.1 0.819 117.3 59.2 -63.4 -29.0 -16.4 7.4 4.3 14 14 A Y H > S+ 0 0 142 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.869 105.2 48.4 -69.0 -39.1 -19.1 10.1 4.3 15 15 A Q H >4 S+ 0 0 74 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.927 109.6 52.9 -64.4 -40.9 -17.0 12.1 6.8 16 16 A L H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 4,-0.2 0.849 96.4 68.3 -62.6 -32.9 -14.0 11.6 4.6 17 17 A E H >< S+ 0 0 79 -4,-1.6 3,-1.9 1,-0.3 -1,-0.3 0.810 83.0 72.3 -62.6 -24.5 -15.9 12.9 1.6 18 18 A N T << S+ 0 0 129 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.659 93.8 57.3 -60.7 -17.9 -15.9 16.4 3.2 19 19 A Y T < S+ 0 0 69 -3,-2.3 28,-2.1 -4,-0.2 -1,-0.3 0.397 81.1 108.1 -96.4 -0.0 -12.2 16.6 2.3 20 20 A c B < B 46 0B 18 -3,-1.9 26,-0.3 26,-0.2 25,-0.1 -0.423 360.0 360.0 -69.0 150.9 -12.6 16.1 -1.4 21 21 A N 0 0 110 24,-2.1 25,-0.2 80,-0.2 -1,-0.1 0.018 360.0 360.0 -87.5 360.0 -12.1 19.0 -3.7 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 0 184 0, 0.0 2,-0.2 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0 158.3 -20.3 1.3 4.0 24 2 B V - 0 0 109 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.567 360.0 -96.4-101.6 156.6 -18.6 0.5 7.2 25 3 B N - 0 0 103 -2,-0.2 2,-0.3 -13,-0.1 -13,-0.2 -0.340 42.0-132.7 -69.4 163.1 -16.8 2.7 9.7 26 4 B Q B -A 11 0A 43 -15,-2.8 -15,-2.1 -2,-0.1 2,-0.5 -0.884 21.3-163.1-127.4 139.1 -13.1 3.1 9.5 27 5 B H + 0 0 129 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.2 -0.972 34.1 169.2-121.5 107.3 -10.0 3.1 11.8 28 6 B L + 0 0 18 -22,-2.0 2,-0.3 -2,-0.5 -19,-0.1 -0.978 10.9 173.3-131.5 118.4 -7.3 4.7 9.7 29 7 B b > - 0 0 46 -2,-0.4 3,-1.8 -22,-0.1 4,-0.4 -0.846 53.2 -21.5-118.1 155.0 -3.9 5.9 10.8 30 8 B G T >> S- 0 0 28 -2,-0.3 3,-1.1 1,-0.3 4,-0.9 -0.138 129.0 -2.8 52.7-137.6 -1.0 7.3 8.8 31 9 B S H 3> S+ 0 0 31 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.699 123.3 73.6 -64.5 -21.7 -0.8 6.5 5.1 32 10 B H H <> S+ 0 0 129 -3,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.851 94.4 52.1 -61.8 -34.3 -4.0 4.4 5.4 33 11 B L H <> S+ 0 0 1 -3,-1.1 4,-2.5 -4,-0.4 -1,-0.2 0.918 106.6 52.9 -70.5 -36.0 -6.1 7.5 5.7 34 12 B V H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.889 108.0 51.3 -62.5 -37.1 -4.5 9.0 2.6 35 13 B E H X S+ 0 0 51 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.901 109.8 50.3 -63.7 -40.9 -5.4 5.8 0.7 36 14 B A H X S+ 0 0 11 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.927 109.9 49.4 -64.4 -45.0 -8.9 6.0 1.9 37 15 B L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.900 109.0 53.7 -57.0 -43.8 -9.2 9.7 0.8 38 16 B Y H X S+ 0 0 60 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.931 112.2 44.0 -57.4 -48.1 -7.8 8.8 -2.6 39 17 B L H < S+ 0 0 133 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.7 46.0 -64.1 -45.6 -10.5 6.1 -3.0 40 18 B V H < S+ 0 0 31 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.894 122.4 34.8 -63.3 -43.6 -13.4 8.2 -1.8 41 19 B c H >< S+ 0 0 4 -4,-2.7 3,-2.2 -5,-0.2 -2,-0.2 0.806 77.8 168.5 -90.5 -28.8 -12.5 11.3 -3.8 42 20 B G G >< S- 0 0 30 -4,-2.3 3,-2.3 -5,-0.4 -1,-0.2 -0.202 74.0 -1.9 55.4-133.6 -11.1 9.9 -7.0 43 21 B E G 3 S+ 0 0 143 1,-0.3 61,-0.4 60,-0.1 -1,-0.3 0.623 123.1 74.1 -69.2 -12.0 -10.7 12.6 -9.6 44 22 B R G < S- 0 0 81 -3,-2.2 -1,-0.3 1,-0.1 -23,-0.2 0.744 93.0-150.9 -65.4 -26.1 -12.1 15.2 -7.4 45 23 B G < - 0 0 0 -3,-2.3 -24,-2.1 -7,-0.2 2,-0.3 -0.102 9.4-132.3 70.9 177.4 -8.9 15.2 -5.4 46 24 B F E -BC 20 101B 0 55,-1.9 55,-2.8 -26,-0.3 2,-0.4 -0.981 6.2-114.1-160.1 168.1 -8.6 16.0 -1.8 47 25 B F E - C 0 100B 69 -28,-2.1 2,-0.6 -2,-0.3 53,-0.2 -0.968 17.0-155.2-115.3 130.1 -6.9 17.9 1.0 48 26 B Y E + C 0 99B 10 51,-2.9 51,-1.8 -2,-0.4 26,-0.2 -0.945 21.6 172.6-102.4 112.9 -4.9 16.1 3.7 49 27 B T - 0 0 60 -2,-0.6 -46,-0.4 49,-0.2 -47,-0.2 -0.706 5.3-178.4-132.1 74.3 -4.9 18.4 6.7 50 28 B P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.390 36.7-100.2 -64.4 157.5 -3.4 16.9 10.0 51 29 B K 0 0 148 1,-0.1 47,-0.1 -2,-0.1 0, 0.0 -0.412 360.0 360.0 -69.3 143.0 -3.2 18.9 13.2 52 30 B T 0 0 153 -2,-0.1 -1,-0.1 -3,-0.1 44,-0.0 0.534 360.0 360.0-113.1 360.0 0.2 20.4 13.9 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 31 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-171.9 -0.7 19.8 -12.6 55 2 C I H > + 0 0 3 47,-0.3 4,-2.7 1,-0.2 5,-0.5 0.801 360.0 52.8 -51.8 -39.0 0.8 17.2 -10.4 56 3 C V H >>S+ 0 0 27 49,-0.3 5,-3.1 1,-0.2 4,-2.1 0.945 111.4 45.6 -70.5 -39.5 -0.4 14.3 -12.7 57 4 C E H 4>S+ 0 0 88 3,-0.2 5,-2.0 1,-0.2 -1,-0.2 0.914 119.4 41.6 -62.4 -44.7 1.2 15.8 -15.7 58 5 C Q H <5S+ 0 0 99 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.868 131.4 18.7 -70.5 -40.6 4.5 16.6 -13.8 59 6 C d H <5S+ 0 0 1 -4,-2.7 22,-2.7 -5,-0.2 5,-0.4 0.652 131.5 31.3-112.9 -27.4 4.8 13.3 -11.8 60 7 C e T <5S+ 0 0 26 -4,-2.1 -3,-0.2 -5,-0.5 -4,-0.1 0.789 129.2 31.5-101.5 -55.9 2.7 10.5 -13.4 61 8 C T T - 0 0 25 -2,-0.3 4,-1.9 13,-0.1 5,-0.1 -0.446 34.7-109.1 -88.1 163.9 11.8 14.2 -8.0 66 13 C L H > S+ 0 0 87 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.870 122.0 58.5 -63.0 -31.9 10.8 14.1 -4.3 67 14 C Y H 4 S+ 0 0 189 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.913 103.9 50.3 -63.9 -36.7 11.8 17.7 -4.1 68 15 C Q H >4 S+ 0 0 84 1,-0.2 3,-2.1 2,-0.2 -2,-0.2 0.888 102.7 61.1 -67.3 -33.0 9.3 18.5 -6.8 69 16 C L H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.812 89.7 70.4 -61.0 -29.7 6.6 16.7 -4.8 70 17 C E G >< S+ 0 0 77 -4,-1.1 3,-1.5 -3,-0.5 -1,-0.3 0.688 78.8 78.3 -63.5 -16.5 7.2 19.2 -2.0 71 18 C N G < S+ 0 0 112 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.684 91.7 53.9 -60.4 -19.1 5.5 21.8 -4.3 72 19 C Y G < S+ 0 0 37 -3,-2.0 28,-2.0 -4,-0.2 -1,-0.2 0.285 85.5 107.3-104.6 8.1 2.2 20.2 -3.3 73 20 C f B < D 99 0B 14 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.517 360.0 360.0 -77.0 153.5 2.6 20.4 0.5 74 21 C N 0 0 106 24,-2.1 -1,-0.1 -26,-0.2 24,-0.1 -0.323 360.0 360.0 -78.3 360.0 0.7 22.9 2.5 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 0 251 0, 0.0 -12,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.5 16.6 12.0 -15.9 77 2 D V + 0 0 130 2,-0.1 2,-0.1 0, 0.0 -13,-0.0 0.365 360.0 106.0-162.5 -11.7 16.5 9.1 -13.3 78 3 D N - 0 0 73 1,-0.1 2,-0.2 -15,-0.0 -13,-0.1 -0.479 58.1-128.7 -77.5 158.0 13.1 9.3 -11.5 79 4 D Q - 0 0 141 -15,-0.2 -15,-0.9 -2,-0.1 2,-0.3 -0.444 27.7 -91.1 -99.5 173.3 10.1 7.1 -12.0 80 5 D H - 0 0 86 -17,-0.2 2,-0.4 -2,-0.2 -20,-0.3 -0.638 32.6-161.2 -80.6 142.0 6.5 7.8 -12.6 81 6 D L + 0 0 43 -22,-2.7 2,-0.3 -19,-0.3 -20,-0.1 -0.978 19.0 170.3-129.0 117.9 4.2 8.1 -9.6 82 7 D e > - 0 0 48 -2,-0.4 3,-1.8 -22,-0.1 4,-0.4 -0.941 42.8 -27.8-130.4 147.8 0.5 7.7 -10.3 83 8 D G T >> S+ 0 0 15 -2,-0.3 4,-2.2 1,-0.3 3,-0.5 -0.188 127.9 3.3 59.9-133.6 -2.7 7.4 -8.4 84 9 D S H 3> S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.825 133.6 56.8 -57.5 -32.0 -2.4 5.8 -5.0 85 10 D H H <> S+ 0 0 128 -3,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.873 105.0 51.5 -68.5 -35.3 1.3 5.7 -5.4 86 11 D L H <> S+ 0 0 0 -3,-0.5 4,-2.3 -4,-0.4 -2,-0.2 0.930 111.7 46.0 -65.1 -45.3 1.5 9.5 -6.0 87 12 D V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.875 108.7 55.5 -74.7 -26.9 -0.5 10.3 -2.9 88 13 D E H X S+ 0 0 59 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.912 109.4 48.6 -62.6 -40.2 1.6 7.8 -0.8 89 14 D A H X S+ 0 0 11 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.905 109.2 51.6 -65.2 -40.6 4.6 9.8 -2.0 90 15 D L H X>S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.5 0.913 110.1 50.1 -61.2 -42.2 3.0 13.1 -1.1 91 16 D Y H X5S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.928 110.6 49.6 -60.6 -45.6 2.3 11.7 2.4 92 17 D L H <5S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.926 118.6 37.6 -59.9 -44.9 5.9 10.7 2.7 93 18 D V H <5S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.842 129.8 28.5 -76.4 -37.3 7.3 14.1 1.6 94 19 D f H ><5S+ 0 0 6 -4,-2.7 3,-2.5 -5,-0.2 4,-0.2 0.794 76.4 153.6 -97.7 -38.0 4.8 16.4 3.3 95 20 D G G >< + 0 0 13 -2,-0.6 3,-1.5 -57,-0.2 -47,-0.3 -0.707 8.9 172.7-129.9 78.2 -5.7 17.9 -7.2 103 28 D P T 3 S+ 0 0 22 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.747 76.4 61.4 -64.6 -22.1 -5.3 15.9 -10.4 104 29 D K T 3 0 0 132 -61,-0.4 -60,-0.1 -60,-0.1 -61,-0.0 0.703 360.0 360.0 -76.5 -17.5 -7.7 18.0 -12.4 105 30 D T < 0 0 125 -3,-1.5 -49,-0.3 0, 0.0 -3,-0.1 -0.512 360.0 360.0 -69.8 360.0 -5.5 21.0 -11.9