==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 29-DEC-12 2M2P . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.ZAKOVA,V.VEVERKA,J.JIRACEK . 51 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 23 45.1 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 . 1 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 2.0 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 19.6 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+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 0 0 0 2 0 0 0 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 0 119 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-126.6 -3.2 -3.7 7.7 2 2 A I - 0 0 47 1,-0.1 17,-0.0 3,-0.0 0, 0.0 -0.869 360.0-145.6-125.6 159.3 0.3 -2.5 8.5 3 3 A V S S+ 0 0 133 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.905 94.2 44.6 -92.7 -48.3 1.7 0.3 10.8 4 4 A E S S+ 0 0 141 1,-0.1 2,-1.0 14,-0.0 -1,-0.1 0.819 73.7 173.9 -76.0 -30.0 4.9 1.8 9.1 5 5 A Q - 0 0 87 2,-0.1 2,-0.6 11,-0.1 -1,-0.1 0.167 35.0-131.6 57.6 -12.4 3.1 1.9 5.6 6 6 A a + 0 0 18 -2,-1.0 4,-0.1 1,-0.1 10,-0.0 -0.619 56.1 142.8 56.5-108.4 6.0 3.7 3.7 7 7 A b + 0 0 31 -2,-0.6 -1,-0.1 2,-0.2 3,-0.1 0.589 41.0 99.5 55.1 18.3 3.8 6.4 1.9 8 8 A T S S+ 0 0 111 1,-0.5 2,-0.3 19,-0.0 -1,-0.1 0.911 96.8 1.3 -90.9 -61.7 6.6 9.1 2.4 9 9 A S S S- 0 0 80 3,-0.0 -1,-0.5 17,-0.0 -2,-0.2 -0.806 110.9 -65.6-118.8 161.9 8.1 9.0 -1.2 10 10 A I S S- 0 0 58 -2,-0.3 2,-0.2 1,-0.1 16,-0.1 -0.299 71.3-111.6 -59.5 115.6 6.9 6.7 -4.0 11 11 A a - 0 0 2 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.304 23.2-145.7 -73.1 122.8 7.7 3.3 -2.5 12 12 A S >> - 0 0 75 -2,-0.2 4,-1.5 1,-0.1 3,-1.4 -0.410 32.0-109.0 -69.4 154.3 10.5 1.1 -4.0 13 13 A L H 3> S+ 0 0 92 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.842 119.0 63.5 -62.7 -29.9 9.9 -2.7 -3.8 14 14 A Y H 34 S+ 0 0 199 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.841 105.2 46.4 -56.4 -35.9 12.6 -3.0 -1.1 15 15 A Q H X4 S+ 0 0 69 -3,-1.4 3,-0.8 2,-0.2 4,-0.3 0.858 110.8 51.9 -76.4 -36.2 10.4 -0.8 1.2 16 16 A L H >X S+ 0 0 0 -4,-1.5 3,-1.9 1,-0.2 4,-1.0 0.832 94.6 70.9 -69.5 -32.1 7.3 -2.9 0.3 17 17 A E H 3X S+ 0 0 104 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.735 82.7 73.0 -59.7 -20.4 9.2 -6.1 1.3 18 18 A N H <4 S+ 0 0 79 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.855 103.3 40.4 -56.8 -34.9 9.0 -4.9 4.9 19 19 A Y H <4 S+ 0 0 35 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.668 112.2 54.6 -93.0 -19.9 5.2 -5.8 4.8 20 20 A c H < 0 0 34 -4,-1.0 -2,-0.2 27,-0.1 -1,-0.2 0.821 360.0 360.0 -74.6 -34.4 5.8 -9.0 2.8 21 21 A N < 0 0 171 -4,-2.2 -2,-0.2 0, 0.0 -3,-0.2 0.341 360.0 360.0-135.5 360.0 8.2 -10.2 5.5 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 63 0, 0.0 -10,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -29.9 4.0 2.3 -6.8 24 2 B V + 0 0 126 1,-0.5 2,-0.2 -12,-0.1 -14,-0.1 0.468 360.0 26.3-133.8 -45.2 5.3 3.9 -10.0 25 3 B N S S- 0 0 133 1,-0.1 -1,-0.5 2,-0.0 2,-0.2 -0.615 110.4 -31.7-110.3 172.3 3.6 7.4 -9.9 26 4 B Q S S+ 0 0 173 -2,-0.2 -1,-0.1 1,-0.1 -17,-0.0 -0.472 94.2 17.4 -62.1 131.1 2.4 9.6 -7.0 27 5 B H - 0 0 59 -2,-0.2 4,-0.2 1,-0.1 2,-0.1 0.748 27.0-171.2-154.4 165.4 1.3 8.1 -4.5 28 6 B L + 0 0 5 4,-0.1 4,-0.2 2,-0.1 -1,-0.1 -0.482 57.4 76.4 -76.0 154.4 0.6 5.4 -1.9 29 7 B b S S+ 0 0 52 2,-2.3 3,-0.1 -2,-0.1 -2,-0.0 0.610 86.2 25.9 64.1 138.4 -1.9 6.0 1.0 30 8 B G S S+ 0 0 94 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.986 136.4 3.4 -73.9 -3.8 -4.9 6.1 1.6 31 9 B S S S+ 0 0 69 -4,-0.2 -2,-2.3 2,-0.1 2,-1.6 -0.471 108.7 50.9-122.7-168.1 -5.1 3.8 -1.4 32 10 B H S > S+ 0 0 105 -4,-0.2 4,-2.5 -2,-0.2 5,-0.2 -0.037 85.4 92.1 61.4 -28.6 -2.7 2.0 -3.9 33 11 B L H > S+ 0 0 13 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.911 88.2 44.8 -61.0 -44.5 -0.6 0.5 -1.1 34 12 B V H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.897 112.3 52.5 -66.8 -37.9 -2.6 -2.8 -0.9 35 13 B E H > S+ 0 0 115 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.890 111.1 47.2 -66.8 -38.3 -2.6 -3.1 -4.8 36 14 B A H >X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 3,-0.7 0.953 114.3 47.0 -62.2 -48.9 1.3 -2.7 -4.8 37 15 B L H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 10,-0.3 0.892 104.9 58.8 -67.1 -38.2 1.6 -5.3 -1.9 38 16 B Y H 3< S+ 0 0 69 -4,-2.9 8,-2.0 1,-0.2 -1,-0.2 0.804 115.9 37.2 -57.6 -29.8 -0.8 -7.8 -3.7 39 17 B L H << S+ 0 0 120 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.786 122.6 41.4 -90.7 -32.5 1.7 -7.8 -6.7 40 18 B V H < S+ 0 0 26 -4,-2.1 2,-1.8 1,-0.2 5,-0.2 0.831 94.1 80.6 -87.2 -36.3 5.0 -7.6 -4.7 41 19 B c S < S+ 0 0 14 -4,-2.6 6,-2.2 -5,-0.2 2,-0.2 -0.441 96.3 11.2 -85.4 69.3 4.5 -10.0 -1.8 42 20 B G S > S- 0 0 47 -2,-1.8 3,-1.8 4,-0.2 4,-0.2 -0.685 92.0 -75.7 149.4 170.6 5.1 -13.4 -3.4 43 21 B E T 3 S+ 0 0 191 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.707 140.4 13.0 -66.5 -17.1 6.5 -15.4 -6.4 44 22 B R T 3 S- 0 0 207 1,-0.8 -1,-0.3 -3,-0.1 -3,-0.1 -0.216 127.2 -98.9-135.0 36.1 3.2 -14.4 -8.2 45 23 B G < + 0 0 11 -3,-1.8 -1,-0.8 -5,-0.2 -6,-0.2 -0.292 60.4 153.6 68.6-162.5 2.3 -11.8 -5.6 46 24 B X - 0 0 117 -8,-2.0 -4,-0.2 -9,-0.2 -8,-0.1 -0.320 17.6-175.7 145.8 -53.5 -0.3 -12.7 -2.8 47 25 B F - 0 0 49 -6,-2.2 2,-0.3 -10,-0.3 -27,-0.1 -0.095 35.6 -91.9 52.0-161.9 0.3 -10.6 0.4 48 26 B Y + 0 0 175 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.971 38.2 178.1-141.4 140.0 -1.9 -11.5 3.5 49 27 B T - 0 0 78 -2,-0.3 2,-0.0 2,-0.0 -2,-0.0 -0.965 22.7-134.6-141.4 119.4 -5.3 -10.0 4.5 50 28 B P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.299 17.7-164.2 -75.7 159.5 -7.3 -11.2 7.6 51 29 B K 0 0 203 1,-0.1 -2,-0.0 -2,-0.0 0, 0.0 -0.991 360.0 360.0-143.2 146.2 -11.1 -11.9 7.7 52 30 B T 0 0 203 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.373 360.0 360.0-148.0 360.0 -13.8 -12.3 10.5