==== 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 03-SEP-09 2WS1 . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.M.BRZOZOWSKI,J.JIRACEK,L.ZAKOVA,E.ANTOLIKOVA,C.J.WATSON, . 48 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 64.6 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 . 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 . 1 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 8.3 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 1 1 0 0 0 0 1 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 . 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 62 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-163.1 4.2 -16.0 46.6 2 2 A I H >> + 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.798 360.0 54.6 -57.4 -34.8 5.2 -14.1 49.6 3 3 A V H >>S+ 0 0 87 2,-0.2 5,-2.4 3,-0.2 4,-2.3 0.974 111.6 42.9 -69.0 -49.0 1.9 -12.2 49.9 4 4 A E H 4>S+ 0 0 135 1,-0.2 5,-2.0 3,-0.2 -2,-0.2 0.920 121.2 43.2 -59.9 -43.4 -0.2 -15.4 50.0 5 5 A Q H <5S+ 0 0 65 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.846 130.2 18.2 -75.0 -37.2 2.2 -17.0 52.3 6 6 A a H <5S+ 0 0 0 -4,-2.8 21,-3.4 -5,-0.2 5,-0.4 0.599 132.5 33.6-113.2 -21.5 3.0 -14.3 54.8 7 7 A b T < - 0 0 57 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.405 32.3-103.9 -88.1 166.3 7.3 -19.1 59.6 13 13 A L H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 123.0 52.8 -54.9 -44.9 10.9 -17.8 59.8 14 14 A Y H > S+ 0 0 188 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.903 110.9 46.2 -60.9 -45.4 12.0 -20.6 57.5 15 15 A Q H >> S+ 0 0 57 2,-0.2 3,-0.6 1,-0.2 4,-0.6 0.914 111.8 51.0 -62.2 -42.1 9.4 -19.7 54.9 16 16 A L H >< S+ 0 0 8 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.922 103.5 57.0 -68.8 -36.5 10.2 -16.1 55.1 17 17 A E H >< S+ 0 0 69 -4,-2.6 3,-1.6 1,-0.3 -1,-0.3 0.751 92.7 72.5 -61.8 -29.3 14.0 -16.7 54.6 18 18 A N H << S+ 0 0 118 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.817 97.6 51.4 -45.5 -37.1 13.0 -18.5 51.3 19 19 A Y T << S+ 0 0 56 -3,-1.7 27,-0.4 -4,-0.6 -1,-0.3 0.349 83.7 104.6 -93.9 -1.5 12.3 -15.0 50.0 20 20 A c < 0 0 10 -3,-1.6 25,-0.3 1,-0.2 24,-0.1 -0.539 360.0 360.0 -70.9 153.6 15.5 -13.3 51.0 21 21 A N 0 0 166 23,-2.1 -1,-0.2 -2,-0.2 24,-0.2 0.866 360.0 360.0 44.6 360.0 17.9 -12.7 48.0 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 0 185 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.1 -1.8 -9.8 68.1 24 3 B N - 0 0 120 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.536 360.0-175.6 -67.6 117.9 -1.8 -9.8 64.4 25 4 B Q + 0 0 135 -2,-0.5 -14,-0.3 2,-0.1 2,-0.2 0.351 50.2 107.1 -96.7 4.7 0.5 -12.4 63.0 26 5 B H - 0 0 68 -16,-0.1 2,-0.6 -18,-0.0 -19,-0.2 -0.613 60.2-147.7 -81.8 146.0 -0.0 -11.5 59.4 27 6 B L + 0 0 48 -21,-3.4 2,-0.3 -18,-0.5 -21,-0.1 -0.939 30.4 161.9-119.2 103.3 2.8 -9.7 57.7 28 7 B b > - 0 0 45 -2,-0.6 3,-1.5 -21,-0.1 4,-0.5 -0.904 47.4 -29.9-127.0 145.2 1.5 -7.2 55.0 29 8 B G T >> S+ 0 0 56 -2,-0.3 4,-1.9 1,-0.3 3,-0.7 -0.121 129.1 4.9 58.0-130.0 2.9 -4.3 53.2 30 9 B S H 3> S+ 0 0 89 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.826 131.5 58.5 -59.2 -33.2 5.5 -2.2 55.1 31 10 B H H <> S+ 0 0 129 -3,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.829 104.4 50.6 -66.9 -36.4 5.4 -4.8 57.9 32 11 B L H <> S+ 0 0 15 -3,-0.7 4,-2.2 -4,-0.5 -2,-0.2 0.877 108.4 52.3 -66.7 -40.7 6.4 -7.5 55.5 33 12 B V H X S+ 0 0 54 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.946 110.1 48.4 -55.7 -49.3 9.3 -5.3 54.3 34 13 B E H X S+ 0 0 105 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.894 108.6 54.3 -60.6 -39.1 10.5 -4.8 57.9 35 14 B A H X S+ 0 0 10 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.910 110.6 45.6 -64.3 -41.7 10.2 -8.6 58.5 36 15 B L H X>S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 5,-0.5 0.914 110.9 53.2 -62.5 -44.2 12.5 -9.2 55.5 37 16 B Y H X5S+ 0 0 138 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.941 114.0 45.5 -49.6 -47.9 14.8 -6.4 56.7 38 17 B L H <5S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.925 122.8 30.0 -65.9 -51.6 15.0 -8.2 60.0 39 18 B V H <5S+ 0 0 27 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.677 117.2 53.4 -94.8 -14.6 15.4 -11.8 58.9 40 19 B c H ><5S+ 0 0 4 -4,-2.7 3,-1.9 -5,-0.2 4,-0.2 0.802 76.9 167.4 -87.2 -27.9 17.4 -11.3 55.6 41 20 B G G >< - 0 0 16 -25,-0.3 3,-0.6 -24,-0.2 2,-0.4 -0.976 27.3 -59.5-167.9 154.7 16.0 -8.9 49.5 46 25 B F T 3 S+ 0 0 159 -27,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.719 104.6 34.9 -79.0 132.9 13.8 -7.7 46.6 47 26 B X T 3 S+ 0 0 169 -2,-0.4 -1,-0.3 0, 0.0 -3,-0.0 0.099 70.7 117.4-120.2 111.2 12.9 -5.0 46.3 48 27 B T < 0 0 64 -3,-0.6 -3,-0.1 0, 0.0 -2,-0.0 -0.802 360.0 360.0-118.5 91.5 15.4 -2.6 47.7 49 28 B P 0 0 130 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.177 360.0 360.0 -59.1 360.0 16.5 -0.4 44.7