==== 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 14-DEC-07 2VJZ . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.WAGNER,J.DIEZ,C.SCHULZE-BRIESE,G.SCHLUCKEBIER . 99 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 63.6 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 . 8 8.1 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 34.3 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 2 0 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 29 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-165.9 -17.1 10.5 36.7 2 2 A I H >> + 0 0 1 47,-0.3 4,-2.7 1,-0.2 5,-0.6 0.854 360.0 51.8 -67.1 -34.4 -15.2 7.8 34.7 3 3 A V H >>S+ 0 0 45 2,-0.2 5,-3.0 1,-0.2 4,-1.8 0.949 112.8 45.5 -66.7 -44.6 -12.1 7.8 36.9 4 4 A E H 4>S+ 0 0 96 3,-0.2 5,-1.0 1,-0.2 -2,-0.2 0.921 121.0 39.2 -62.8 -43.0 -14.1 7.3 40.1 5 5 A Q H <5S+ 0 0 90 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.873 131.8 18.8 -78.6 -41.0 -16.3 4.6 38.5 6 6 A a H <5S+ 0 0 0 -4,-2.7 22,-3.1 -5,-0.2 5,-0.4 0.588 131.6 32.6-111.7 -16.5 -13.8 2.6 36.4 7 7 A b T < - 0 0 52 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.420 36.3-103.9 -74.7 168.4 -18.9 -3.4 34.2 13 13 A L H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.940 125.6 51.9 -58.5 -45.7 -19.0 -3.4 30.4 14 14 A Y H 4 S+ 0 0 167 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.891 109.0 49.8 -57.0 -44.8 -22.5 -1.6 30.7 15 15 A Q H >4 S+ 0 0 81 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.910 109.0 51.6 -63.1 -41.9 -21.0 1.0 33.0 16 16 A L H >< S+ 0 0 1 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.884 101.9 61.7 -61.4 -37.0 -18.1 1.6 30.6 17 17 A E G >< S+ 0 0 69 -4,-2.2 3,-1.5 1,-0.3 -1,-0.3 0.619 83.0 79.1 -67.1 -14.9 -20.6 2.1 27.8 18 18 A N G < S+ 0 0 87 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.633 91.7 54.4 -62.6 -14.2 -22.1 5.1 29.7 19 19 A Y G < S+ 0 0 35 -3,-1.9 28,-2.3 -4,-0.2 -1,-0.2 0.266 86.0 102.3-106.2 6.7 -19.1 7.1 28.3 20 20 A c B < A 46 0A 11 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.552 360.0 360.0 -77.8 156.5 -19.7 6.2 24.6 21 21 A N 0 0 107 24,-2.6 -1,-0.1 -2,-0.2 24,-0.1 -0.228 360.0 360.0 -75.3 360.0 -21.3 8.9 22.5 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 0 123 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.4 -15.0 -8.5 29.3 24 2 B V - 0 0 68 1,-0.1 2,-0.6 -12,-0.1 -11,-0.0 -0.179 360.0-145.3 -57.4 147.4 -12.2 -8.0 31.8 25 3 B N + 0 0 128 -13,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.852 56.2 102.2-115.3 88.4 -13.2 -7.3 35.5 26 4 B Q S S- 0 0 92 -2,-0.6 -15,-0.5 -15,-0.3 2,-0.2 -0.992 78.2 -73.6-162.5 162.8 -10.5 -4.9 36.7 27 5 B H - 0 0 101 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.482 45.1-162.2 -64.1 130.2 -9.5 -1.4 37.5 28 6 B L + 0 0 11 -22,-3.1 2,-0.3 -19,-0.4 -19,-0.1 -0.980 19.7 162.9-120.9 123.8 -9.0 0.5 34.2 29 7 B b >> - 0 0 47 -2,-0.5 3,-1.6 -22,-0.1 4,-0.5 -0.946 41.7 -16.9-139.2 153.0 -7.0 3.6 34.4 30 8 B G H 3> S- 0 0 14 -2,-0.3 4,-1.6 1,-0.3 3,-0.5 -0.238 127.6 -0.9 61.6-135.0 -5.1 6.1 32.3 31 9 B S H 3> S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.814 133.7 58.7 -58.8 -29.7 -4.2 4.9 28.8 32 10 B H H <> S+ 0 0 129 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.908 104.0 50.8 -69.2 -35.9 -5.9 1.5 29.6 33 11 B L H X S+ 0 0 1 -4,-0.5 4,-2.4 -3,-0.5 -1,-0.2 0.937 110.8 47.5 -66.1 -45.6 -9.2 3.1 30.2 34 12 B V H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.907 111.4 51.2 -66.5 -36.3 -9.1 5.1 27.0 35 13 B E H X S+ 0 0 53 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.869 109.5 50.7 -65.2 -40.6 -8.1 2.0 25.0 36 14 B A H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.912 110.9 49.0 -55.4 -51.1 -11.1 0.1 26.6 37 15 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.941 108.1 53.8 -55.1 -46.2 -13.4 3.0 25.6 38 16 B Y H X S+ 0 0 11 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.870 115.9 39.4 -56.7 -45.6 -12.0 2.9 22.1 39 17 B L H < S+ 0 0 115 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.923 119.1 44.4 -67.6 -52.5 -12.8 -0.9 21.8 40 18 B V H < S+ 0 0 20 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.874 116.0 44.7 -67.6 -36.8 -16.1 -0.9 23.6 41 19 B c H >< S+ 0 0 2 -4,-2.7 3,-2.0 -5,-0.3 4,-0.3 0.737 80.0 166.9 -85.5 -22.9 -17.6 2.2 21.9 42 20 B G G >< S+ 0 0 32 -4,-0.8 3,-1.2 -5,-0.3 -1,-0.2 -0.137 70.8 1.4 47.1-129.1 -16.6 1.3 18.4 43 21 B E G 3 S+ 0 0 178 1,-0.3 -1,-0.3 58,-0.1 -2,-0.1 0.717 127.7 66.2 -60.4 -25.6 -18.3 3.5 15.8 44 22 B R G < S- 0 0 106 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.850 91.5-155.8 -64.5 -35.2 -20.1 5.5 18.5 45 23 B G < - 0 0 1 -3,-1.2 -24,-2.6 -4,-0.3 2,-0.3 -0.191 7.8-119.8 75.1-173.6 -16.9 7.0 19.8 46 24 B F E -AB 20 100A 2 54,-2.7 54,-2.8 -26,-0.3 2,-0.4 -0.922 0.1-121.7-155.1 170.3 -16.5 8.2 23.3 47 25 B F E - B 0 99A 50 -28,-2.3 2,-0.6 -2,-0.3 52,-0.2 -0.990 13.8-164.7-126.6 130.9 -15.8 11.1 25.7 48 26 B Y E + B 0 98A 10 50,-3.0 50,-2.2 -2,-0.4 -2,-0.0 -0.914 25.3 155.5-115.6 99.6 -13.0 11.0 28.2 49 27 B T - 0 0 51 -2,-0.6 -47,-0.3 48,-0.2 -46,-0.1 -0.743 25.5-160.2-130.3 79.6 -13.6 13.8 30.6 50 28 B P 0 0 25 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.301 360.0 360.0 -65.2 151.4 -12.0 13.1 33.9 51 29 B K 0 0 179 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 -0.179 360.0 360.0 -55.4 360.0 -13.4 15.1 36.8 52 !* 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 53 1 C G > 0 0 69 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 161.5 -10.2 16.0 11.8 54 2 C I H > + 0 0 18 1,-0.2 4,-3.7 2,-0.2 5,-0.1 0.811 360.0 51.5 -54.2 -39.4 -7.5 14.3 13.7 55 3 C V H > S+ 0 0 16 2,-0.2 4,-1.3 1,-0.2 5,-0.4 0.935 113.3 45.0 -66.0 -44.2 -7.4 11.1 11.6 56 4 C E H 4 S+ 0 0 128 -3,-0.4 4,-0.3 1,-0.2 -2,-0.2 0.883 123.3 37.2 -62.2 -40.8 -7.1 13.2 8.4 57 5 C Q H < S+ 0 0 65 -4,-2.6 4,-0.3 1,-0.1 -2,-0.2 0.897 126.6 31.6 -79.2 -38.5 -4.4 15.4 10.0 58 6 C d H < S+ 0 0 9 -4,-3.7 5,-0.4 -5,-0.2 -3,-0.2 0.267 101.3 67.2-117.1 9.8 -2.5 12.9 12.1 59 7 C e S < S+ 0 0 22 -4,-1.3 -3,-0.1 -5,-0.1 -1,-0.1 0.828 110.5 29.9 -98.7 -37.9 -2.5 9.4 10.5 60 8 C T S S+ 0 0 104 -5,-0.4 2,-0.3 -4,-0.3 -2,-0.1 0.601 129.9 36.5 -97.1 -13.7 -0.4 9.9 7.4 61 9 C S S S- 0 0 68 -4,-0.3 2,-0.5 -5,-0.1 -1,-0.1 -0.946 94.0-102.6-130.2 160.1 1.7 12.7 8.9 62 10 C I - 0 0 161 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.696 26.0-153.5 -86.4 122.6 3.0 13.0 12.5 63 11 C d - 0 0 13 -2,-0.5 2,-0.1 -5,-0.4 -5,-0.0 -0.866 16.6-139.8 -89.1 123.7 1.1 15.5 14.7 64 12 C S >> - 0 0 47 -2,-0.5 4,-2.7 1,-0.1 3,-0.6 -0.339 33.4 -94.7 -68.1 167.7 3.4 16.8 17.4 65 13 C L H 3> S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.876 129.1 57.8 -44.5 -41.7 2.2 17.3 21.0 66 14 C Y H 34 S+ 0 0 181 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.880 109.9 40.1 -66.0 -38.4 1.5 20.9 19.8 67 15 C Q H X4 S+ 0 0 72 -3,-0.6 3,-1.3 1,-0.2 4,-0.3 0.879 110.8 58.1 -77.1 -35.3 -0.8 19.9 17.0 68 16 C L H >< S+ 0 0 13 -4,-2.7 3,-2.2 1,-0.3 4,-0.2 0.843 91.9 71.0 -66.5 -30.5 -2.5 17.1 19.1 69 17 C E G >< S+ 0 0 74 -4,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.750 83.1 70.6 -58.0 -29.9 -3.5 19.8 21.7 70 18 C N G < S+ 0 0 127 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.781 96.0 54.4 -52.5 -30.7 -6.0 21.2 19.2 71 19 C Y G < S+ 0 0 50 -3,-2.2 28,-0.5 -4,-0.3 -1,-0.2 0.460 89.0 101.8 -90.7 0.1 -8.0 18.0 19.7 72 20 C f B < C 98 0A 15 -3,-1.6 26,-0.3 -4,-0.2 25,-0.1 -0.426 360.0 360.0 -77.1 155.8 -8.2 18.4 23.5 73 21 C N 0 0 99 24,-2.8 25,-0.1 -2,-0.1 -1,-0.1 0.550 360.0 360.0 -70.9 360.0 -11.2 19.6 25.4 74 !* 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 75 1 D F 0 0 252 0, 0.0 2,-0.4 0, 0.0 -15,-0.0 0.000 360.0 360.0 360.0 132.6 -2.3 5.0 3.4 76 2 D V - 0 0 76 1,-0.0 2,-0.2 2,-0.0 -16,-0.1 -0.857 360.0 -94.3-116.6 143.7 -2.5 3.7 7.0 77 3 D N > - 0 0 103 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.367 32.6-151.4 -52.5 116.7 -5.1 1.4 8.7 78 4 D Q H > S+ 0 0 92 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.897 92.2 56.1 -65.5 -37.6 -7.5 3.8 10.3 79 5 D H H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.910 111.9 42.4 -63.4 -38.4 -8.4 1.4 13.1 80 6 D L H > S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.912 114.1 51.5 -72.6 -38.7 -4.7 1.0 14.2 81 7 D e H X S+ 0 0 18 -4,-2.6 4,-2.9 1,-0.2 3,-0.2 0.938 108.4 51.4 -61.4 -48.6 -4.1 4.7 13.8 82 8 D G H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.871 105.9 55.5 -54.4 -44.7 -7.1 5.6 16.0 83 9 D S H X S+ 0 0 29 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.887 112.6 42.6 -54.6 -43.9 -5.8 3.2 18.7 84 10 D H H X S+ 0 0 124 -4,-1.7 4,-2.1 -3,-0.2 3,-0.3 0.932 111.7 53.8 -68.0 -45.0 -2.5 5.1 18.8 85 11 D L H X S+ 0 0 5 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.857 104.2 54.3 -64.1 -39.2 -4.1 8.6 18.6 86 12 D V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.878 109.9 48.2 -66.8 -35.8 -6.4 8.0 21.6 87 13 D E H X S+ 0 0 77 -4,-1.1 4,-1.8 -3,-0.3 -2,-0.2 0.904 113.1 47.3 -66.3 -41.6 -3.4 7.0 23.7 88 14 D A H X S+ 0 0 17 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.906 111.2 51.2 -63.0 -45.3 -1.4 10.1 22.5 89 15 D L H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.4 0.867 105.4 57.2 -59.1 -40.9 -4.4 12.3 23.2 90 16 D Y H X S+ 0 0 64 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.943 112.6 40.1 -54.2 -51.1 -4.6 10.8 26.7 91 17 D L H < S+ 0 0 137 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.937 121.2 42.2 -62.5 -49.9 -1.0 12.0 27.4 92 18 D V H < S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.925 120.0 41.0 -67.0 -46.0 -1.3 15.4 25.7 93 19 D f H >< S+ 0 0 6 -4,-3.0 3,-1.8 -5,-0.2 -1,-0.2 0.810 78.9 167.4 -76.6 -30.2 -4.7 16.3 27.0 94 20 D G G >< S- 0 0 32 -4,-1.6 3,-1.3 -5,-0.4 -1,-0.2 -0.226 72.9 -4.1 47.4-129.6 -4.4 15.1 30.6 95 21 D E G 3 S+ 0 0 172 1,-0.3 -1,-0.3 -46,-0.1 -2,-0.1 0.672 124.3 73.9 -71.9 -13.3 -7.2 16.4 32.8 96 22 D R G < S- 0 0 127 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.856 89.0-163.3 -58.7 -35.8 -8.7 18.5 30.0 97 23 D G < - 0 0 0 -3,-1.3 -24,-2.8 -4,-0.2 2,-0.3 -0.173 1.9-128.9 73.1-174.5 -9.9 15.2 28.5 98 24 D F E -BC 48 72A 0 -50,-2.2 -50,-3.0 -26,-0.3 2,-0.4 -0.977 3.7-122.3-166.3 158.0 -11.0 14.8 24.9 99 25 D F E -B 47 0A 106 -28,-0.5 2,-0.4 -2,-0.3 -52,-0.2 -0.885 28.7-174.4-102.5 140.5 -13.8 13.5 22.6 100 26 D Y E +B 46 0A 10 -54,-2.8 -54,-2.7 -2,-0.4 -79,-0.2 -0.991 11.0 170.5-139.0 135.9 -13.1 10.9 20.0 101 27 D T 0 0 81 -2,-0.4 -58,-0.1 -56,-0.3 -57,-0.1 -0.988 360.0 360.0-139.7 131.1 -15.2 9.3 17.2 102 28 D P 0 0 71 0, 0.0 -23,-0.0 0, 0.0 -59,-0.0 0.205 360.0 360.0 -72.6 360.0 -14.0 7.0 14.3