==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 02-MAR-99 1CCV . COMPND 2 MOLECULE: CHYMOTRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: APIS MELLIFERA; . AUTHOR T.CIERPICKI,J.OTLEWSKI . 56 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 44.6 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 . 11 19.6 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 . 1 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.8 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 . 6 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.8 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 0 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 1 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 ANTIPARALLEL 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 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 E 0 0 191 0, 0.0 8,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 98.1 -13.3 4.4 4.0 2 2 A E + 0 0 189 6,-0.1 6,-0.0 34,-0.0 34,-0.0 -0.243 360.0 143.5-111.0 41.6 -11.9 4.9 7.4 3 3 A a - 0 0 38 1,-0.1 3,-0.1 4,-0.1 6,-0.1 0.239 49.4 -95.7 -62.7-164.3 -8.3 4.4 6.5 4 4 A G > - 0 0 28 1,-0.1 3,-1.4 4,-0.1 2,-0.3 -0.330 53.3 -56.2-107.3-169.8 -5.5 6.3 8.1 5 5 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 45,-0.1 -0.572 126.0 9.9 -75.0 127.9 -3.5 9.5 7.3 6 6 A N T 3 S+ 0 0 67 1,-0.4 33,-2.4 -2,-0.3 2,-0.3 0.452 109.8 116.2 83.3 1.9 -1.8 9.3 3.9 7 7 A E E < -A 38 0A 47 -3,-1.4 -1,-0.4 31,-0.2 2,-0.3 -0.690 45.6-167.3-103.0 156.7 -3.8 6.2 3.3 8 8 A V E -A 37 0A 43 29,-2.1 29,-3.1 -2,-0.3 2,-0.5 -0.986 18.5-126.0-143.2 150.4 -6.4 5.6 0.7 9 9 A F E -A 36 0A 86 -2,-0.3 2,-0.4 27,-0.3 27,-0.2 -0.865 26.6-179.1-102.4 127.6 -9.0 2.9 -0.0 10 10 A N E -A 35 0A 67 25,-2.5 25,-2.2 -2,-0.5 3,-0.4 -0.990 26.7-154.6-128.6 133.7 -9.1 1.2 -3.4 11 11 A T E S+ 0 0 103 -2,-0.4 23,-0.2 1,-0.3 21,-0.1 0.367 99.8 27.0 -83.8 4.2 -11.6 -1.5 -4.5 12 12 A b E S+ 0 0 71 21,-0.2 -1,-0.3 23,-0.2 2,-0.3 -0.440 85.3 141.7-166.6 80.0 -8.9 -2.7 -6.9 13 13 A G E -A 33 0A 8 20,-2.0 20,-1.3 -3,-0.4 2,-0.1 -0.833 65.0 -63.2-124.6 162.5 -5.4 -1.9 -5.9 14 14 A S > - 0 0 48 -2,-0.3 3,-2.1 1,-0.2 18,-0.1 -0.212 42.9-159.0 -46.0 107.4 -2.1 -3.8 -6.2 15 15 A A T 3 S+ 0 0 42 1,-0.3 -1,-0.2 16,-0.2 17,-0.1 0.846 97.9 38.9 -59.8 -34.9 -2.8 -6.8 -4.0 16 16 A c T 3 S+ 0 0 53 13,-0.1 10,-0.4 3,-0.0 -1,-0.3 -0.118 92.7 167.6-105.6 32.7 1.0 -7.2 -3.6 17 17 A A < - 0 0 18 -3,-2.1 5,-0.1 8,-0.1 7,-0.1 0.087 41.8 -89.0 -42.0 161.2 1.4 -3.4 -3.4 18 18 A P + 0 0 42 0, 0.0 26,-0.5 0, 0.0 2,-0.2 -0.282 50.0 174.4 -75.0 163.1 4.9 -2.2 -2.3 19 19 A T - 0 0 37 3,-2.7 26,-0.2 24,-0.2 31,-0.0 -0.804 52.5 -73.9-150.7-170.1 5.8 -1.7 1.4 20 20 A d S S+ 0 0 33 24,-2.5 25,-0.1 -2,-0.2 23,-0.0 0.733 134.9 42.7 -67.2 -22.1 8.6 -0.8 3.7 21 21 A A S S+ 0 0 87 23,-0.4 -1,-0.2 1,-0.3 24,-0.1 0.910 124.9 30.8 -87.3 -52.8 9.9 -4.3 3.0 22 22 A Q + 0 0 122 -5,-0.1 -3,-2.7 1,-0.1 -1,-0.3 -0.861 59.9 176.6-113.8 95.8 9.3 -4.4 -0.7 23 23 A P S S+ 0 0 92 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.433 73.0 68.0 -75.0 1.1 9.7 -1.0 -2.3 24 24 A K - 0 0 161 -7,-0.1 2,-0.1 -5,-0.0 -5,-0.0 -0.965 69.2-173.3-127.5 113.7 9.1 -2.6 -5.6 25 25 A T + 0 0 57 -2,-0.5 -8,-0.1 -7,-0.1 3,-0.1 -0.432 17.6 173.7 -97.8 174.4 5.7 -4.1 -6.4 26 26 A R - 0 0 193 -10,-0.4 -9,-0.1 -2,-0.1 -1,-0.0 0.017 56.6 -85.0-175.5 46.0 4.5 -6.2 -9.3 27 27 A I - 0 0 106 1,-0.1 3,-0.1 -11,-0.0 -1,-0.1 0.337 28.3-128.3 58.1 160.3 0.9 -7.3 -8.7 28 28 A c S S- 0 0 60 1,-0.5 2,-0.3 3,-0.2 -1,-0.1 0.674 73.0 -39.8-110.1 -33.3 0.1 -10.4 -6.7 29 29 A T S S- 0 0 85 2,-0.2 2,-3.1 0, 0.0 -1,-0.5 -0.965 80.8 -55.3-179.4 174.3 -2.2 -12.1 -9.1 30 30 A M S S+ 0 0 183 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.0 -0.381 108.3 73.5 -68.6 71.1 -5.0 -11.6 -11.7 31 31 A Q S S- 0 0 154 -2,-3.1 -16,-0.2 -18,-0.0 -3,-0.2 -0.520 76.5-128.2 174.7 112.2 -7.2 -9.9 -9.2 32 32 A b - 0 0 71 -2,-0.2 2,-0.4 -18,-0.1 -18,-0.2 0.115 30.7-114.7 -54.5 179.0 -7.1 -6.4 -7.7 33 33 A R E -A 13 0A 53 -20,-1.3 -20,-2.0 2,-0.1 2,-0.6 -0.991 14.1-144.8-128.9 127.2 -7.2 -6.0 -3.9 34 34 A I E + 0 0 121 -2,-0.4 2,-0.3 -23,-0.2 -23,-0.2 -0.813 59.0 69.9 -93.4 118.2 -10.0 -4.3 -2.0 35 35 A G E S-A 10 0A 11 -25,-2.2 -25,-2.5 -2,-0.6 2,-0.2 -0.934 84.1 -52.6 161.8 179.9 -8.7 -2.4 1.0 36 36 A a E +A 9 0A 34 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.3 -0.529 53.2 179.2 -82.2 150.0 -6.8 0.6 2.3 37 37 A Q E -A 8 0A 22 -29,-3.1 -29,-2.1 -2,-0.2 2,-0.5 -0.831 34.5 -83.0-141.1 177.7 -3.3 1.2 0.9 38 38 A e E -A 7 0A 28 -2,-0.3 -31,-0.2 -20,-0.2 3,-0.1 -0.755 46.0-126.0 -90.5 130.6 -0.4 3.6 1.2 39 39 A Q > - 0 0 78 -33,-2.4 3,-2.3 -2,-0.5 2,-0.8 -0.119 47.2 -67.0 -67.6 169.5 -0.6 6.7 -0.9 40 40 A E T 3 S+ 0 0 202 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.470 130.2 30.0 -63.6 103.9 2.1 7.8 -3.4 41 41 A G T 3 S+ 0 0 38 -2,-0.8 2,-0.3 1,-0.5 -1,-0.3 0.359 106.3 87.6 124.4 3.3 4.9 8.7 -1.0 42 42 A F < - 0 0 40 -3,-2.3 -1,-0.5 10,-0.2 2,-0.4 -0.952 55.8-154.6-132.7 151.5 4.1 6.3 1.8 43 43 A L E -B 51 0B 28 8,-2.8 8,-3.2 -2,-0.3 2,-0.4 -0.977 22.1-119.8-128.3 140.1 5.0 2.7 2.6 44 44 A R E -B 50 0B 77 -26,-0.5 -24,-2.5 -2,-0.4 -23,-0.4 -0.633 27.5-148.8 -80.5 130.5 3.1 0.2 4.8 45 45 A N E >> -B 49 0B 38 4,-2.9 4,-1.2 -2,-0.4 3,-0.9 -0.722 34.1 -99.9 -99.9 149.9 5.1 -1.1 7.7 46 46 A G T 34 S+ 0 0 96 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.751 124.4 68.6 -34.0 -32.1 4.7 -4.6 9.2 47 47 A E T 34 S- 0 0 165 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.087 120.4-111.4 -83.4 35.9 2.5 -2.7 11.7 48 48 A G T <4 S+ 0 0 54 -3,-0.9 2,-0.5 -2,-0.3 -2,-0.2 0.790 77.1 139.9 36.7 37.0 0.0 -2.1 9.0 49 49 A A E < -B 45 0B 29 -4,-1.2 -4,-2.9 2,-0.0 2,-1.3 -0.952 55.2-137.4-114.4 123.7 1.1 1.5 9.3 50 50 A e E +B 44 0B 11 -2,-0.5 2,-0.4 -6,-0.3 -6,-0.3 -0.663 39.0 167.3 -80.9 95.2 1.6 3.6 6.2 51 51 A V E -B 43 0B 55 -8,-3.2 -8,-2.8 -2,-1.3 5,-0.1 -0.884 41.5 -94.4-113.6 144.1 4.8 5.5 7.0 52 52 A L > - 0 0 63 -2,-0.4 3,-0.6 -10,-0.3 -10,-0.2 -0.035 29.5-123.8 -49.2 156.7 6.9 7.4 4.6 53 53 A P G > S+ 0 0 61 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.795 112.3 58.4 -75.1 -30.3 9.8 5.6 3.0 54 54 A E G 3 S+ 0 0 151 1,-0.3 -2,-0.1 0, 0.0 -12,-0.0 0.527 107.5 49.1 -75.5 -6.1 12.3 8.1 4.2 55 55 A N G < 0 0 112 -3,-0.6 -1,-0.3 -4,-0.0 -3,-0.1 0.336 360.0 360.0-111.2 0.7 11.1 7.2 7.7 56 56 A d < 0 0 115 -3,-1.1 -4,-0.1 -5,-0.1 -35,-0.0 0.133 360.0 360.0 -54.3 360.0 11.4 3.5 7.1