==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 02-SEP-09 2WRX . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.M.BRZOZOWSKI,J.JIRACEK,L.ZAKOVA,E.ANTOLIKOVA,C.J.WATSON, . 96 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 66.7 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 . 0 0.0 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 . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 7.3 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 0 2 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 . 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 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 10 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-157.2 7.0 24.2 15.6 2 2 A I H >> + 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.6 0.793 360.0 55.7 -64.2 -31.9 4.9 23.1 12.7 3 3 A V H >>S+ 0 0 34 2,-0.2 5,-2.6 3,-0.2 4,-2.3 0.977 110.5 42.1 -67.4 -46.3 2.9 26.4 12.6 4 4 A E H 4>S+ 0 0 104 67,-2.4 5,-1.8 3,-0.2 -2,-0.2 0.916 122.3 42.8 -64.1 -39.5 6.0 28.7 12.3 5 5 A Q H <5S+ 0 0 67 -4,-2.6 -1,-0.2 66,-0.2 -2,-0.2 0.856 129.8 19.9 -75.3 -36.6 7.5 26.3 9.8 6 6 A a H <5S+ 0 0 0 -4,-2.7 21,-3.1 -5,-0.2 5,-0.4 0.664 133.3 31.7-110.4 -21.0 4.6 25.4 7.5 7 7 A b T < - 0 0 56 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.467 33.2-102.8 -90.9 168.6 9.2 21.1 2.5 13 13 A L H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 123.1 54.4 -58.3 -43.4 7.8 17.5 2.4 14 14 A Y H > S+ 0 0 188 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.904 109.5 45.9 -59.6 -46.9 10.7 16.4 4.5 15 15 A Q H >4 S+ 0 0 60 2,-0.2 3,-0.6 1,-0.2 4,-0.4 0.930 112.1 51.7 -60.5 -46.5 10.0 19.1 7.2 16 16 A L H >< S+ 0 0 8 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.932 105.1 55.8 -58.2 -41.7 6.3 18.2 7.2 17 17 A E H >< S+ 0 0 75 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.783 92.6 70.4 -62.7 -24.6 7.0 14.5 7.7 18 18 A N T << S+ 0 0 87 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.663 96.8 55.2 -59.9 -20.2 9.0 15.3 10.8 19 19 A Y T < S+ 0 0 18 -3,-2.0 27,-0.4 -4,-0.4 -1,-0.3 0.329 83.6 105.0-102.6 5.3 5.6 16.1 12.3 20 20 A c < 0 0 6 -3,-1.7 25,-0.2 1,-0.2 34,-0.2 -0.555 360.0 360.0 -76.3 156.3 3.9 12.8 11.6 21 21 A N 0 0 56 23,-2.3 33,-2.4 -2,-0.2 34,-0.2 0.879 360.0 360.0 42.5 360.0 3.4 10.4 14.5 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 2 B V 0 0 180 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.5 -0.8 30.2 -5.4 24 3 B N - 0 0 122 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.615 360.0-172.6 -73.3 120.1 -0.5 30.3 -1.6 25 4 B Q + 0 0 130 -2,-0.5 -14,-0.4 2,-0.1 2,-0.3 0.305 52.1 107.1 -96.6 3.3 2.2 27.8 -0.5 26 5 B H - 0 0 67 -16,-0.1 2,-0.6 -18,-0.1 -19,-0.2 -0.623 60.1-148.9 -78.6 147.8 1.5 28.3 3.2 27 6 B L + 0 0 47 -21,-3.1 2,-0.3 -18,-0.4 -21,-0.1 -0.955 30.3 158.9-122.6 108.6 -0.3 25.4 5.0 28 7 B b >> - 0 0 47 -2,-0.6 3,-1.5 -21,-0.1 4,-0.9 -0.897 49.2 -25.5-129.7 154.4 -2.5 26.7 7.9 29 8 B G H >> S+ 0 0 50 -2,-0.3 4,-2.1 1,-0.3 3,-0.8 -0.039 131.3 5.8 50.0-130.6 -5.5 25.4 9.8 30 9 B S H 3> S+ 0 0 84 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.820 132.0 56.3 -57.8 -33.1 -7.5 22.8 7.8 31 10 B H H <> S+ 0 0 116 -3,-1.5 4,-2.7 2,-0.2 -1,-0.3 0.844 107.0 49.3 -66.7 -34.5 -5.0 22.8 4.9 32 11 B L H < S+ 0 0 3 -4,-3.0 3,-0.6 -5,-0.3 -3,-0.2 0.797 74.8 166.4 -83.5 -26.6 1.5 10.9 7.1 41 20 B G G >< S- 0 0 47 -4,-1.2 3,-2.0 -5,-0.4 -1,-0.1 -0.152 70.5 -1.4 47.2-132.1 -0.8 8.0 5.9 42 21 B E G 3 S+ 0 0 205 1,-0.3 -1,-0.2 2,-0.0 -2,-0.1 0.770 123.3 81.1 -70.6 -30.9 -0.9 5.0 8.4 43 22 B R G < S- 0 0 172 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.636 84.3-158.9 68.4-110.8 1.3 6.8 10.2 44 23 B G < - 0 0 23 -3,-2.0 -23,-2.3 -8,-0.2 2,-0.3 -0.081 1.9-141.8 81.7 169.4 -1.1 9.1 11.9 45 24 B F > - 0 0 11 -25,-0.2 3,-2.5 -24,-0.2 2,-0.4 -0.977 28.7 -59.1-160.8 154.1 -0.4 12.5 13.4 46 25 B F T 3 S+ 0 0 19 -27,-0.4 6,-0.1 1,-0.3 7,-0.0 -0.671 111.0 18.2 -73.5 133.0 -1.2 14.7 16.3 47 26 B X T 3 S+ 0 0 38 -2,-0.4 -1,-0.3 50,-0.1 50,-0.1 -0.597 84.4 116.6-117.2 53.3 -4.0 15.6 16.9 48 27 B T < 0 0 46 -3,-2.5 31,-0.1 1,-0.1 -3,-0.1 -0.555 360.0 360.0 -73.3 138.1 -6.3 13.2 14.9 49 28 B P 0 0 174 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.005 360.0 360.0 -69.8 360.0 -8.6 11.1 17.2 50 !* 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 51 1 C G > 0 0 11 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-154.3 6.9 13.4 15.9 52 2 C I H >> + 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.799 360.0 56.3 -64.6 -33.0 5.2 14.4 19.2 53 3 C V H >>S+ 0 0 32 2,-0.2 5,-2.3 3,-0.2 4,-2.3 0.980 111.2 42.8 -65.5 -48.0 3.2 11.2 19.5 54 4 C E H 4>S+ 0 0 105 -33,-2.4 5,-2.2 3,-0.2 -2,-0.2 0.916 121.8 41.3 -60.4 -43.0 6.3 9.0 19.4 55 5 C Q H <5S+ 0 0 63 -4,-2.4 -1,-0.2 -34,-0.2 -2,-0.2 0.855 130.4 20.9 -77.1 -34.3 8.2 11.3 21.7 56 6 C d H <5S+ 0 0 0 -4,-2.8 21,-2.7 -5,-0.2 5,-0.4 0.659 132.2 32.4-111.8 -26.6 5.6 12.2 24.3 57 7 C e T < - 0 0 54 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.419 31.4-104.0 -87.8 172.5 10.5 16.5 28.8 63 13 C L H > S+ 0 0 102 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.921 123.2 54.6 -61.5 -42.8 9.1 20.0 29.2 64 14 C Y H > S+ 0 0 186 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.919 109.4 45.8 -57.9 -45.0 11.8 21.2 26.8 65 15 C Q H 4 S+ 0 0 59 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.896 112.6 50.9 -61.4 -45.7 10.8 18.7 24.1 66 16 C L H >< S+ 0 0 10 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.949 105.4 55.1 -62.2 -47.0 7.1 19.5 24.6 67 17 C E H >< S+ 0 0 69 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.759 95.3 70.1 -58.5 -27.3 7.8 23.2 24.2 68 18 C N T 3< S+ 0 0 89 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.703 96.3 54.7 -50.0 -31.0 9.5 22.3 20.8 69 19 C Y T < S+ 0 0 17 -3,-2.4 27,-0.4 -4,-0.5 -1,-0.2 0.349 83.4 107.6 -95.5 4.8 6.0 21.5 19.5 70 20 C f < 0 0 0 -3,-1.5 25,-0.3 1,-0.2 24,-0.1 -0.520 360.0 360.0 -75.8 157.3 4.5 24.9 20.4 71 21 C N 0 0 47 23,-2.5 -67,-2.4 -2,-0.1 -1,-0.2 0.877 360.0 360.0 43.8 360.0 3.7 27.3 17.5 72 !* 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 73 2 D V 0 0 171 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.4 1.7 8.2 38.0 74 3 D N - 0 0 124 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.586 360.0-171.1 -73.3 121.6 1.6 7.8 34.2 75 4 D Q + 0 0 121 -2,-0.5 -14,-0.4 2,-0.0 2,-0.2 0.439 53.5 105.3 -93.3 1.3 4.2 10.1 32.6 76 5 D H - 0 0 70 -16,-0.1 2,-0.5 -18,-0.1 -19,-0.2 -0.565 58.7-152.2 -80.7 148.9 2.9 9.5 29.0 77 6 D L + 0 0 45 -21,-2.7 2,-0.3 -18,-0.4 -19,-0.1 -0.947 27.0 164.1-124.2 105.9 0.9 12.2 27.3 78 7 D e >> - 0 0 49 -2,-0.5 3,-1.6 -21,-0.1 4,-0.6 -0.909 48.1 -30.8-127.2 148.6 -1.6 10.9 24.7 79 8 D G H >> S+ 0 0 49 -2,-0.3 4,-2.0 1,-0.3 3,-0.8 -0.102 129.7 5.2 53.5-128.3 -4.6 12.2 22.9 80 9 D S H 3> S+ 0 0 91 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.809 130.9 57.6 -62.6 -31.0 -6.5 14.8 24.9 81 10 D H H <> S+ 0 0 132 -3,-1.6 4,-2.0 2,-0.2 -1,-0.3 0.848 106.3 49.6 -66.9 -30.7 -3.9 14.8 27.7 82 11 D L H S+ 0 0 1 -4,-2.1 4,-3.4 2,-0.2 5,-0.7 0.903 108.8 53.0 -70.6 -38.7 0.4 21.8 25.2 87 16 D Y H X5S+ 0 0 122 -4,-2.3 4,-1.5 3,-0.2 -2,-0.2 0.950 115.2 44.1 -55.5 -43.0 -2.3 24.3 26.3 88 17 D L H <5S+ 0 0 128 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.946 122.7 34.0 -69.6 -49.0 -0.5 24.4 29.6 89 18 D V H <5S+ 0 0 30 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.851 123.0 42.5 -77.9 -37.4 3.1 24.7 28.3 90 19 D f H ><5S+ 0 0 2 -4,-3.4 3,-2.3 -5,-0.3 -3,-0.2 0.842 76.5 161.7 -85.1 -29.4 2.5 26.7 25.1 91 20 D G G >< - 0 0 9 3,-0.3 3,-2.5 -25,-0.3 2,-0.4 -0.957 27.8 -56.5-167.8 152.5 0.1 25.3 18.9 96 25 D F T 3 S+ 0 0 18 -27,-0.4 -94,-0.1 1,-0.3 -93,-0.0 -0.655 111.0 19.9 -69.8 130.6 -1.3 23.1 16.2 97 26 D X T 3 S+ 0 0 45 -2,-0.4 -1,-0.3 -50,-0.1 -50,-0.1 -0.533 101.5 87.8-123.7 56.8 -4.1 22.1 16.0 98 27 D T < 0 0 34 -3,-2.5 -3,-0.3 1,-0.0 -69,-0.1 -0.845 360.0 360.0-108.4 148.5 -5.9 24.6 18.2 99 28 D P 0 0 172 0, 0.0 -4,-0.1 0, 0.0 -1,-0.0 -0.300 360.0 360.0 -75.4 360.0 -7.3 28.0 16.9