==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 10-FEB-06 2CEU . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.WHITTINGHAM,Y.ZHANG,L.ZAKOVA,E.J.DODSON,J.P.TURKENBURG, . 90 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 65.6 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 . 4 4.4 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 . 4 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.4 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 0 4 0 0 0 0 0 1 1 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 60 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-156.1 24.9 26.2 22.4 2 2 A I H > + 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.848 360.0 51.4 -65.4 -34.4 23.0 23.8 20.3 3 3 A V H >>S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-2.1 0.950 112.1 46.8 -71.8 -42.2 25.3 20.8 20.8 4 4 A E H 4>S+ 0 0 134 3,-0.2 5,-2.1 1,-0.2 -2,-0.2 0.925 118.9 43.1 -58.8 -43.7 25.1 21.3 24.6 5 5 A Q H <5S+ 0 0 57 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.837 129.7 21.5 -72.2 -35.8 21.3 21.6 24.4 6 6 A a H <5S+ 0 0 1 -4,-2.6 21,-3.3 4,-0.2 5,-0.4 0.630 131.2 33.4-110.2 -23.9 20.6 18.8 21.9 7 7 A b T <5S+ 0 0 28 -4,-2.4 -3,-0.2 -5,-0.4 21,-0.1 0.841 127.8 32.1-102.8 -54.5 23.5 16.4 22.0 8 8 A T T - 0 0 45 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.455 32.0-100.9 -99.9 168.9 12.7 20.0 21.9 13 13 A L H > S+ 0 0 16 72,-0.6 4,-2.3 1,-0.2 5,-0.2 0.886 122.4 55.7 -51.6 -44.1 11.4 21.1 18.5 14 14 A Y H > S+ 0 0 160 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.884 105.3 51.5 -64.7 -37.1 11.0 24.6 19.8 15 15 A Q H >4 S+ 0 0 57 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.924 110.0 48.5 -65.1 -42.8 14.7 24.7 20.8 16 16 A L H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.893 104.4 60.5 -62.5 -37.8 15.7 23.5 17.3 17 17 A E H >< S+ 0 0 85 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.772 91.7 69.1 -61.0 -25.3 13.5 26.1 15.7 18 18 A N T << S+ 0 0 112 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.635 99.5 49.1 -65.9 -14.2 15.5 28.8 17.5 19 19 A Y T < S+ 0 0 49 -3,-2.1 27,-2.1 -4,-0.2 -1,-0.2 0.271 84.4 117.1-112.1 9.5 18.5 28.0 15.2 20 20 A c B < A 45 0A 20 -3,-1.4 25,-0.3 25,-0.2 24,-0.1 -0.534 360.0 360.0 -78.1 143.8 16.7 28.1 11.9 21 21 A N 0 0 120 23,-2.1 23,-0.1 -2,-0.2 -1,-0.1 -0.162 360.0 360.0 -72.0 360.0 17.6 30.6 9.2 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 95 0, 0.0 2,-0.8 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 131.4 14.4 5.8 22.6 24 3 B N - 0 0 114 1,-0.1 57,-0.1 2,-0.0 0, 0.0 -0.735 360.0-178.7 -80.0 112.7 17.7 7.7 22.3 25 4 B Q + 0 0 76 -2,-0.8 -14,-0.4 2,-0.0 2,-0.2 0.353 41.6 112.2 -97.6 8.8 16.6 11.3 22.2 26 5 B H - 0 0 69 -16,-0.1 2,-0.5 -18,-0.1 -19,-0.3 -0.581 52.1-154.8 -82.7 145.9 20.1 12.8 21.8 27 6 B L + 0 0 10 -21,-3.3 2,-0.3 -18,-0.4 -21,-0.1 -0.943 23.9 163.0-127.1 108.7 21.0 14.5 18.5 28 7 B b >> - 0 0 49 -2,-0.5 3,-1.8 -21,-0.1 4,-0.5 -0.906 49.5 -29.1-126.7 145.9 24.6 14.7 17.7 29 8 B G H >> S+ 0 0 55 -2,-0.3 4,-2.1 1,-0.3 3,-0.7 -0.143 131.1 5.1 56.8-129.7 26.7 15.3 14.5 30 9 B S H 3> S+ 0 0 80 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.801 131.3 58.5 -61.2 -30.8 24.9 14.2 11.4 31 10 B H H <> S+ 0 0 91 -3,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.866 107.6 46.9 -66.9 -35.0 21.7 13.4 13.4 32 11 B L H < - 0 0 32 -4,-1.7 3,-1.0 -5,-0.4 -1,-0.2 -0.498 53.8 -38.1 91.2-169.9 13.5 23.2 5.7 42 21 B E T 3 S+ 0 0 185 1,-0.3 -1,-0.2 -2,-0.2 3,-0.2 0.853 128.2 68.1 -65.0 -43.1 16.2 23.9 3.0 43 22 B R T 3 S- 0 0 157 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.855 89.4-175.2 -37.8 -38.1 17.2 27.4 4.2 44 23 B G < - 0 0 0 -3,-1.0 -23,-2.1 -7,-0.2 2,-0.2 -0.549 17.4 -80.8 71.5-128.2 18.5 25.4 7.0 45 24 B F B A 20 0A 45 -25,-0.3 -25,-0.2 -2,-0.3 -28,-0.0 -0.781 360.0 360.0-169.1 174.1 20.0 27.2 9.9 46 25 B F 0 0 165 -27,-2.1 -25,-0.0 -2,-0.2 -2,-0.0 -0.714 360.0 360.0-128.1 360.0 23.0 29.0 11.5 47 !* 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 48 1 C G > 0 0 58 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-154.8 2.9 4.2 4.9 49 2 C I H > + 0 0 33 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.846 360.0 51.1 -66.2 -34.0 5.3 6.1 7.1 50 3 C V H >>S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 5,-2.1 0.948 112.4 46.8 -72.2 -41.8 8.3 3.8 6.6 51 4 C E H 4>S+ 0 0 127 3,-0.2 5,-2.1 1,-0.2 -2,-0.2 0.925 118.5 43.4 -59.9 -43.0 7.8 4.0 2.8 52 5 C Q H <5S+ 0 0 59 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.852 129.8 21.2 -72.8 -35.9 7.5 7.8 3.0 53 6 C d H <5S+ 0 0 1 -4,-2.6 21,-3.2 4,-0.2 5,-0.4 0.639 131.4 33.3-110.3 -23.4 10.3 8.5 5.5 54 7 C e T <5S+ 0 0 27 -4,-2.5 -3,-0.2 -5,-0.4 21,-0.1 0.838 127.6 32.1-103.3 -54.9 12.7 5.5 5.4 55 8 C T T - 0 0 44 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.430 31.6-102.4 -99.4 168.3 9.1 16.4 5.5 60 13 C L H > S+ 0 0 14 -22,-0.5 4,-2.2 1,-0.2 5,-0.1 0.883 122.3 55.5 -53.9 -41.8 8.1 17.7 8.9 61 14 C Y H > S+ 0 0 160 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.884 105.3 51.7 -66.9 -35.8 4.5 18.1 7.6 62 15 C Q H >4 S+ 0 0 54 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.915 110.0 48.3 -65.3 -42.3 4.4 14.4 6.7 63 16 C L H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.890 104.6 60.2 -63.7 -37.1 5.6 13.3 10.1 64 17 C E H >< S+ 0 0 84 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.770 91.8 69.2 -63.0 -25.0 3.0 15.6 11.7 65 18 C N T << S+ 0 0 117 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.623 99.9 49.0 -64.1 -15.5 0.3 13.6 9.9 66 19 C Y T < S+ 0 0 49 -3,-2.1 27,-2.1 -4,-0.2 -1,-0.2 0.262 85.0 115.9-112.6 9.9 1.1 10.6 12.2 67 20 C f B < B 92 0B 19 -3,-1.3 25,-0.3 25,-0.2 24,-0.1 -0.530 360.0 360.0 -78.3 145.5 1.0 12.4 15.5 68 21 C N 0 0 117 23,-2.2 23,-0.1 -2,-0.2 -1,-0.1 -0.208 360.0 360.0 -73.3 360.0 -1.6 11.6 18.2 69 !* 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 70 2 D V 0 0 99 0, 0.0 2,-0.8 0, 0.0 -39,-0.0 0.000 360.0 360.0 360.0 139.5 23.3 14.7 4.8 71 3 D N - 0 0 111 1,-0.1 -37,-0.1 -41,-0.1 0, 0.0 -0.764 360.0-177.5 -82.7 112.1 21.4 11.4 5.1 72 4 D Q + 0 0 80 -2,-0.8 -14,-0.4 2,-0.0 2,-0.2 0.373 41.9 112.4 -94.9 8.7 17.8 12.5 5.2 73 5 D H - 0 0 70 -16,-0.1 2,-0.6 -18,-0.1 -19,-0.2 -0.576 51.7-155.2 -83.5 144.7 16.2 9.0 5.6 74 6 D L + 0 0 11 -21,-3.2 2,-0.3 -18,-0.4 -19,-0.1 -0.941 24.4 162.5-125.4 106.1 14.5 8.1 8.9 75 7 D e > - 0 0 50 -2,-0.6 3,-1.9 -21,-0.1 4,-0.5 -0.910 49.7 -29.3-125.9 145.2 14.4 4.4 9.7 76 8 D G T >> S+ 0 0 55 -2,-0.3 4,-2.1 1,-0.3 3,-0.6 -0.163 131.2 5.1 58.6-129.2 13.8 2.4 12.9 77 9 D S H 3> S+ 0 0 79 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.791 131.3 58.6 -62.7 -30.1 14.8 4.2 16.0 78 10 D H H <> S+ 0 0 87 -3,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.865 107.3 47.1 -68.0 -35.4 15.7 7.4 14.0 79 11 D L H <> S+ 0 0 10 -3,-0.6 4,-2.2 -4,-0.5 -2,-0.2 0.899 111.2 51.0 -69.0 -40.1 12.1 7.5 12.8 80 12 D V H X S+ 0 0 55 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.958 111.0 48.4 -65.3 -44.0 10.8 7.0 16.2 81 13 D E H X S+ 0 0 16 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.918 110.3 52.0 -58.4 -44.9 13.0 9.8 17.6 82 14 D A H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.877 110.4 48.7 -58.4 -41.1 11.9 12.1 14.8 83 15 D L H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.924 111.1 48.3 -67.2 -42.0 8.3 11.3 15.7 84 16 D Y H X S+ 0 0 89 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.889 114.3 49.7 -65.0 -35.0 8.8 12.0 19.4 85 17 D L H < S+ 0 0 17 -4,-2.5 -72,-0.6 -5,-0.3 -2,-0.2 0.957 118.0 36.0 -64.8 -50.9 10.6 15.3 18.3 86 18 D V H < S+ 0 0 10 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.869 128.6 33.3 -71.8 -40.9 7.9 16.5 16.0 87 19 D f H < S- 0 0 7 -4,-2.8 3,-0.2 1,-0.2 -3,-0.2 0.748 96.8-136.3 -93.2 -30.5 4.8 15.3 18.0 88 20 D G >< - 0 0 33 -4,-1.8 3,-1.0 -5,-0.4 -1,-0.2 -0.517 52.6 -40.5 93.9-171.8 5.8 15.5 21.7 89 21 D E T 3 S+ 0 0 182 1,-0.3 -1,-0.2 -2,-0.2 3,-0.2 0.853 128.1 68.6 -66.1 -41.2 5.2 12.9 24.4 90 22 D R T 3 S- 0 0 156 -3,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.869 89.9-175.7 -39.1 -39.2 1.7 12.0 23.3 91 23 D G < - 0 0 1 -3,-1.0 -23,-2.2 -7,-0.2 2,-0.2 -0.560 16.0 -80.4 73.8-130.6 3.6 10.6 20.4 92 24 D F B B 67 0B 44 -25,-0.3 -25,-0.2 -2,-0.3 -28,-0.0 -0.788 360.0 360.0-168.8 172.2 1.9 9.1 17.5 93 25 D F 0 0 167 -27,-2.1 -25,-0.0 -2,-0.2 -2,-0.0 -0.697 360.0 360.0-126.2 360.0 0.1 6.1 15.9