==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 13-SEP-95 2TCI . COMPND 2 MOLECULE: THIOCYANATE INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR J.L.WHITTINGHAM,E.J.DODSON,P.C.E.MOODY,G.G.DODSON . 100 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 68.0 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 . 6 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 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 45 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -6.5 -8.5 16.3 13.8 2 2 A I H > + 0 0 14 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.891 360.0 48.2 -70.3 -37.6 -8.6 13.5 11.1 3 3 A V H > S+ 0 0 8 2,-0.2 4,-1.2 47,-0.2 5,-0.3 0.913 118.0 40.5 -67.8 -41.4 -5.6 11.9 12.9 4 4 A E H > S+ 0 0 141 2,-0.2 4,-0.8 1,-0.2 5,-0.3 0.945 120.9 43.9 -68.2 -47.4 -7.4 12.1 16.2 5 5 A Q H < S+ 0 0 66 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.850 124.4 30.2 -66.3 -42.8 -10.8 11.2 14.8 6 6 A a H < S+ 0 0 15 -4,-3.3 5,-0.4 -5,-0.2 -1,-0.2 0.416 110.1 59.8-107.3 6.4 -9.8 8.3 12.6 7 7 A b H < S+ 0 0 44 -4,-1.2 -3,-0.1 -3,-0.2 -2,-0.1 0.763 110.7 37.8 -99.8 -31.6 -6.7 6.7 14.2 8 8 A T S < S+ 0 0 127 -4,-0.8 2,-0.4 -5,-0.3 -2,-0.1 0.871 130.5 24.7 -81.5 -37.7 -8.2 5.7 17.6 9 9 A S S S- 0 0 72 -4,-0.4 -1,-0.3 -5,-0.3 2,-0.2 -0.955 92.9 -94.4-132.5 149.0 -11.5 4.8 16.0 10 10 A I - 0 0 164 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.1 -0.358 33.5-153.4 -65.0 125.6 -12.7 3.7 12.6 11 11 A a - 0 0 21 -5,-0.4 2,-0.1 -2,-0.2 -5,-0.1 -0.835 10.7-134.8-102.9 136.4 -14.0 6.4 10.3 12 12 A S > - 0 0 47 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.360 29.1-107.7 -81.9 172.5 -16.5 5.6 7.5 13 13 A L H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.801 123.6 62.0 -69.9 -25.4 -16.1 6.9 4.0 14 14 A Y H 4 S+ 0 0 166 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.864 106.9 41.2 -65.8 -39.1 -19.0 9.1 5.0 15 15 A Q H >4 S+ 0 0 66 -3,-0.3 3,-0.9 1,-0.2 4,-0.2 0.848 111.9 56.3 -73.1 -37.6 -16.8 10.8 7.7 16 16 A L H >< S+ 0 0 15 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.821 93.1 68.3 -65.8 -32.5 -13.8 10.9 5.5 17 17 A E G >< S+ 0 0 82 -4,-1.6 3,-1.8 1,-0.3 -1,-0.2 0.785 85.9 70.3 -61.4 -25.2 -15.7 12.9 2.8 18 18 A N G < S+ 0 0 119 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.717 96.0 55.3 -63.3 -22.4 -15.7 15.8 5.2 19 19 A Y G < S+ 0 0 63 -3,-2.0 27,-0.5 -4,-0.2 -1,-0.3 0.441 86.2 105.5 -95.8 3.7 -11.9 16.1 4.6 20 20 A c B < A 45 0A 18 -3,-1.8 25,-0.2 -4,-0.2 24,-0.1 -0.280 360.0 360.0 -79.6 167.2 -12.1 16.4 0.8 21 21 A N 0 0 94 23,-2.8 24,-0.1 -2,-0.0 23,-0.1 0.853 360.0 360.0 -74.5 360.0 -11.5 19.6 -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 0 181 0, 0.0 2,-1.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 10.8 -1.0 5.3 18.6 24 3 B N > - 0 0 91 1,-0.2 4,-2.5 -17,-0.1 5,-0.1 -0.684 360.0-178.5 -86.5 96.5 1.6 5.5 15.9 25 4 B Q H > S+ 0 0 106 -2,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.734 77.2 58.4 -65.8 -29.9 0.1 8.5 14.0 26 5 B H H > S+ 0 0 115 2,-0.2 4,-1.1 3,-0.1 -1,-0.2 0.910 110.9 41.1 -71.2 -41.7 2.8 8.4 11.4 27 6 B L H > S+ 0 0 107 2,-0.2 4,-1.0 1,-0.2 3,-0.2 0.905 117.2 50.2 -70.6 -40.5 1.8 4.8 10.4 28 7 B b H >X S+ 0 0 24 -4,-2.5 4,-2.2 1,-0.2 3,-0.6 0.930 105.6 56.3 -61.5 -45.5 -1.8 5.7 10.8 29 8 B G H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.821 98.8 60.8 -56.5 -36.1 -1.4 8.8 8.5 30 9 B S H 3X S+ 0 0 32 -4,-1.1 4,-0.9 -3,-0.2 -1,-0.2 0.875 109.8 42.0 -59.6 -41.2 -0.0 6.6 5.7 31 10 B H H < S+ 0 0 0 -4,-2.6 3,-2.1 -5,-0.2 4,-0.3 0.818 79.8 164.6 -75.8 -29.0 -11.9 12.3 -2.6 41 20 B G G >< S+ 0 0 20 -4,-1.6 3,-1.2 -5,-0.5 -1,-0.2 -0.189 72.5 0.2 49.9-129.8 -11.0 11.2 -6.1 42 21 B E G 3 S+ 0 0 128 1,-0.2 60,-0.5 59,-0.1 -1,-0.3 0.695 125.7 68.2 -66.4 -17.2 -10.9 14.2 -8.4 43 22 B R G < S- 0 0 111 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.775 90.1-163.2 -71.5 -25.6 -11.8 16.7 -5.7 44 23 B G < - 0 0 0 -3,-1.2 -23,-2.8 -4,-0.3 2,-0.3 -0.068 2.6-122.2 68.9-173.0 -8.4 16.1 -4.0 45 24 B F E -AB 20 99A 0 54,-1.9 54,-3.6 -25,-0.2 2,-0.5 -0.993 4.6-121.7-160.4 164.9 -7.5 17.0 -0.5 46 25 B F E - B 0 98A 101 -27,-0.5 2,-0.6 -2,-0.3 52,-0.3 -0.954 26.6-153.8-110.3 128.2 -5.1 18.9 1.7 47 26 B Y E + B 0 97A 6 50,-3.6 50,-1.5 -2,-0.5 25,-0.2 -0.949 17.6 173.3-118.3 117.5 -3.3 16.8 4.2 48 27 B T - 0 0 59 -2,-0.6 2,-2.2 48,-0.2 48,-0.1 -0.965 26.4-148.3-122.5 112.7 -2.2 18.6 7.3 49 28 B P 0 0 51 0, 0.0 47,-0.1 0, 0.0 -2,-0.0 -0.299 360.0 360.0 -76.4 56.4 -0.6 16.4 10.1 50 29 B K 0 0 187 -2,-2.2 -47,-0.2 0, 0.0 -2,-0.0 -0.324 360.0 360.0 -73.5 360.0 -1.9 18.8 12.8 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 35 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 151.5 -0.6 20.1 -12.1 53 2 C I H >> + 0 0 1 47,-0.4 4,-2.9 1,-0.2 5,-0.6 0.818 360.0 56.7 -60.4 -34.2 1.1 17.3 -10.2 54 3 C V H >>S+ 0 0 30 49,-0.3 5,-3.5 46,-0.2 4,-1.8 0.943 109.0 43.7 -65.4 -47.0 -0.5 14.6 -12.4 55 4 C E H 4>S+ 0 0 94 3,-0.2 5,-0.8 4,-0.2 -2,-0.2 0.922 121.5 41.1 -64.2 -44.3 0.9 16.0 -15.7 56 5 C Q H <5S+ 0 0 66 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.890 131.8 17.5 -70.6 -48.2 4.4 16.5 -14.1 57 6 C d H <5S+ 0 0 1 -4,-2.9 22,-2.9 -5,-0.2 5,-0.4 0.661 132.7 32.3-106.1 -19.8 4.8 13.4 -11.9 58 7 C e T < - 0 0 53 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.287 36.3 -99.7 -75.1 171.9 12.4 14.6 -9.4 64 13 C L H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.856 124.8 54.3 -58.9 -40.2 12.3 14.9 -5.7 65 14 C Y H 4 S+ 0 0 200 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.867 106.6 51.7 -64.5 -39.1 12.6 18.7 -6.0 66 15 C Q H >4 S+ 0 0 59 -3,-0.3 3,-0.9 1,-0.2 -2,-0.2 0.871 108.2 51.7 -68.3 -40.0 9.6 18.8 -8.3 67 16 C L H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.804 99.6 62.8 -64.9 -32.7 7.5 16.8 -5.8 68 17 C E G >< S+ 0 0 79 -4,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.605 85.1 76.2 -72.1 -9.9 8.3 19.1 -2.9 69 18 C N G < S+ 0 0 101 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.622 93.0 54.8 -67.1 -19.3 6.6 21.9 -4.8 70 19 C Y G < S+ 0 0 26 -3,-1.6 28,-2.0 -4,-0.1 -1,-0.3 0.318 86.3 101.8-101.7 6.6 3.3 20.2 -3.6 71 20 C f B < C 97 0A 10 -3,-1.3 26,-0.3 26,-0.2 25,-0.1 -0.502 360.0 360.0 -84.4 165.6 4.2 20.3 0.0 72 21 C N 0 0 97 24,-2.3 -1,-0.1 -25,-0.2 24,-0.1 -0.054 360.0 360.0 -84.4 360.0 2.6 22.9 2.2 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 0.000 360.0 360.0 360.0 148.5 14.8 8.8 -4.9 75 2 D V - 0 0 87 1,-0.1 2,-0.6 -12,-0.1 -11,-0.0 -0.184 360.0-148.9 -59.3 148.0 12.9 6.7 -7.4 76 3 D N + 0 0 141 2,-0.1 2,-0.3 -13,-0.1 -1,-0.1 -0.817 56.3 96.4-117.7 81.7 12.9 7.8 -11.0 77 4 D Q S S- 0 0 101 -2,-0.6 -15,-0.5 -15,-0.3 2,-0.4 -0.979 82.3 -70.5-159.5 173.2 9.6 6.7 -12.4 78 5 D H - 0 0 89 -2,-0.3 2,-0.6 -17,-0.1 -20,-0.2 -0.609 45.2-159.5 -72.6 123.9 6.0 7.6 -13.1 79 6 D L + 0 0 13 -22,-2.9 2,-0.3 -2,-0.4 -19,-0.1 -0.943 23.3 161.7-109.3 117.5 4.2 8.1 -9.8 80 7 D e >> - 0 0 46 -2,-0.6 3,-1.5 -22,-0.1 4,-0.8 -0.871 41.0 -9.9-132.9 165.4 0.4 7.8 -10.1 81 8 D G H >> S- 0 0 18 -2,-0.3 4,-1.6 1,-0.3 3,-0.5 -0.110 128.2 -7.1 47.7-129.6 -2.7 7.3 -8.0 82 9 D S H 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.759 132.9 63.7 -68.0 -21.7 -2.1 6.2 -4.4 83 10 D H H <> S+ 0 0 129 -3,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.887 102.2 50.2 -67.0 -38.4 1.7 5.8 -5.1 84 11 D L H < S+ 0 0 6 -4,-2.5 3,-2.0 -5,-0.2 4,-0.3 0.731 81.6 168.6 -80.5 -22.4 6.6 16.4 2.8 93 20 D G G >< + 0 0 33 -4,-1.0 3,-1.7 -5,-0.3 -1,-0.2 -0.139 69.7 3.0 47.9-130.9 6.5 14.8 6.3 94 21 D E G 3 S+ 0 0 190 1,-0.3 -1,-0.3 -46,-0.1 -2,-0.1 0.588 124.6 68.8 -62.7 -11.1 5.3 17.2 8.9 95 22 D R G < S- 0 0 114 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.778 92.7-151.3 -75.5 -28.8 4.6 20.0 6.4 96 23 D G < - 0 0 1 -3,-1.7 -24,-2.3 -4,-0.3 2,-0.3 -0.125 9.6-123.9 75.4 178.4 1.7 18.0 4.9 97 24 D F E -BC 47 71A 1 -50,-1.5 -50,-3.6 -26,-0.3 2,-0.4 -0.888 3.9-117.1-148.0 176.9 0.9 18.4 1.2 98 25 D F E -B 46 0A 53 -28,-2.0 2,-0.6 -2,-0.3 -52,-0.2 -0.994 17.0-161.4-127.7 127.9 -2.0 19.2 -1.1 99 26 D Y E +B 45 0A 12 -54,-3.6 -54,-1.9 -2,-0.4 -2,-0.0 -0.928 22.6 159.1-111.4 107.1 -3.2 16.7 -3.6 100 27 D T > + 0 0 30 -2,-0.6 3,-0.8 -56,-0.2 -47,-0.4 -0.751 11.3 175.6-132.1 86.4 -5.2 18.5 -6.4 101 28 D P T 3 S+ 0 0 27 0, 0.0 -47,-0.1 0, 0.0 -46,-0.1 0.726 78.9 60.9 -65.0 -23.8 -5.4 16.3 -9.5 102 29 D K T 3 0 0 159 -60,-0.5 -59,-0.1 -48,-0.1 -60,-0.0 0.822 360.0 360.0 -73.6 -34.5 -7.6 18.8 -11.3 103 30 D A < 0 0 91 -3,-0.8 -49,-0.3 -49,-0.0 -3,-0.0 -0.018 360.0 360.0 -58.5 360.0 -5.0 21.6 -11.2