==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEINASE INHIBITOR 08-DEC-99 1DWM . COMPND 2 MOLECULE: LINUM USITATISSINUM TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: LINUM USITATISSIMUM; . AUTHOR T.CIERPICKI,J.OTLEWSKI . 69 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 11.6 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 1.4 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 . 5 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 13.0 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+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 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 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 PARALLEL BRIDGES PER LADDER . 4 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 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 S 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.9 16.3 8.3 -8.6 2 2 A R + 0 0 208 1,-0.0 2,-0.2 2,-0.0 0, 0.0 -0.434 360.0 109.8-152.7 70.9 13.0 6.5 -9.7 3 3 A R - 0 0 234 2,-0.0 -1,-0.0 0, 0.0 0, 0.0 -0.664 38.8-176.7-151.1 88.9 13.2 2.8 -9.1 4 4 A a - 0 0 36 -2,-0.2 27,-0.0 1,-0.1 -2,-0.0 -0.605 31.0-106.5 -88.4 148.3 11.0 1.3 -6.4 5 5 A P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 26,-0.0 -0.224 80.3 32.0 -68.7 160.8 11.2 -2.4 -5.5 6 6 A G S S- 0 0 40 24,-0.1 23,-0.1 22,-0.0 -2,-0.1 0.216 107.2 -41.9 74.4 158.5 8.4 -4.8 -6.4 7 7 A K - 0 0 90 21,-0.2 61,-0.1 1,-0.1 3,-0.1 -0.202 45.1-157.1 -56.1 142.8 6.1 -4.7 -9.4 8 8 A N S S+ 0 0 63 1,-0.3 60,-2.0 59,-0.1 2,-0.3 0.542 74.6 24.3-100.8 -11.3 4.9 -1.2 -10.3 9 9 A A B -A 67 0A 37 58,-0.3 58,-0.3 43,-0.0 -1,-0.3 -0.978 54.8-159.2-155.5 140.2 1.8 -2.3 -12.2 10 10 A W > + 0 0 0 56,-2.0 3,-3.0 -2,-0.3 4,-0.4 -0.562 20.1 164.9-121.2 68.6 -0.5 -5.3 -12.3 11 11 A P G > S+ 0 0 74 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.841 76.2 66.6 -49.7 -36.2 -2.3 -5.3 -15.7 12 12 A E G 3 S+ 0 0 108 1,-0.3 -2,-0.0 -3,-0.2 53,-0.0 0.578 88.5 68.2 -64.1 -8.3 -3.3 -8.9 -15.0 13 13 A L G X S+ 0 0 4 -3,-3.0 3,-2.9 53,-0.1 -1,-0.3 0.703 70.1 112.8 -83.7 -20.1 -5.4 -7.6 -12.2 14 14 A V T < S+ 0 0 69 -3,-1.9 49,-0.2 -4,-0.4 3,-0.1 -0.349 83.4 22.6 -56.6 114.0 -7.8 -5.9 -14.6 15 15 A G T 3 S+ 0 0 55 47,-2.7 -1,-0.3 1,-0.4 2,-0.2 0.290 101.1 110.1 109.9 -8.1 -11.1 -7.8 -14.3 16 16 A K S < S- 0 0 100 -3,-2.9 46,-3.0 46,-0.2 -1,-0.4 -0.640 80.9 -81.9 -99.3 157.9 -10.4 -9.2 -10.8 17 17 A S B > -B 61 0B 58 44,-0.2 4,-2.9 -2,-0.2 44,-0.2 -0.264 37.6-120.4 -57.0 139.4 -12.2 -8.3 -7.6 18 18 A G H > S+ 0 0 3 42,-2.5 4,-2.4 1,-0.2 5,-0.2 0.788 115.2 52.4 -51.6 -29.2 -10.8 -5.1 -6.0 19 19 A N H > S+ 0 0 131 41,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.929 110.2 44.4 -74.2 -46.7 -10.0 -7.2 -2.9 20 20 A M H > S+ 0 0 80 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.859 116.1 50.7 -65.2 -33.9 -8.0 -9.9 -4.8 21 21 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.988 111.1 44.2 -66.4 -60.9 -6.3 -7.1 -6.8 22 22 A A H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 12,-0.3 0.894 115.5 51.3 -50.7 -42.7 -5.2 -5.1 -3.7 23 23 A A H X S+ 0 0 37 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.927 106.5 53.2 -61.1 -46.1 -4.2 -8.3 -2.1 24 24 A T H X S+ 0 0 17 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.883 111.0 47.8 -57.0 -40.5 -2.1 -9.3 -5.2 25 25 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 7,-0.3 0.969 115.6 41.2 -66.0 -55.0 -0.3 -6.0 -5.0 26 26 A E H < S+ 0 0 80 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.776 122.9 43.6 -64.8 -26.1 0.5 -6.1 -1.3 27 27 A R H < S+ 0 0 199 -4,-2.5 3,-0.5 -5,-0.3 -2,-0.2 0.947 118.4 38.8 -83.5 -56.2 1.3 -9.8 -1.6 28 28 A E H < S+ 0 0 102 -4,-3.2 2,-0.4 1,-0.3 -21,-0.2 0.821 130.1 36.2 -63.0 -30.5 3.4 -9.8 -4.9 29 29 A N >< + 0 0 4 -4,-2.3 3,-2.3 -5,-0.4 -1,-0.3 -0.755 64.7 178.4-127.8 85.0 4.9 -6.5 -3.7 30 30 A R T 3 S+ 0 0 229 -3,-0.5 -1,-0.1 -2,-0.4 -4,-0.1 0.562 80.9 66.6 -61.3 -8.2 5.4 -6.5 0.1 31 31 A N T 3 S+ 0 0 90 -3,-0.1 -1,-0.3 -26,-0.0 2,-0.3 0.401 98.9 58.1 -95.0 2.4 7.0 -3.1 -0.4 32 32 A V < - 0 0 11 -3,-2.3 2,-0.4 -7,-0.3 18,-0.2 -0.835 67.3-141.4-129.1 167.7 3.7 -1.4 -1.5 33 33 A H E -c 51 0C 88 17,-0.6 19,-1.8 16,-0.3 2,-0.4 -0.996 14.2-150.6-133.1 128.4 0.2 -0.9 -0.2 34 34 A A E -c 52 0C 7 -2,-0.4 2,-0.4 -12,-0.3 19,-0.2 -0.791 5.6-158.3-102.7 144.1 -3.0 -1.0 -2.3 35 35 A I E -c 53 0C 48 17,-3.1 19,-2.2 -2,-0.4 2,-0.5 -0.921 14.8-129.5-120.2 143.5 -6.2 0.9 -1.7 36 36 A V E +c 54 0C 78 -2,-0.4 2,-0.3 17,-0.2 19,-0.2 -0.807 39.4 147.5 -97.5 130.7 -9.7 0.0 -3.0 37 37 A L E -c 55 0C 15 17,-2.7 19,-2.1 -2,-0.5 2,-0.1 -0.988 39.7-112.2-157.7 151.9 -11.8 2.6 -4.7 38 38 A K E > -c 56 0C 107 -2,-0.3 3,-2.3 17,-0.3 19,-0.2 -0.461 51.5 -73.6 -87.3 161.1 -14.4 2.9 -7.5 39 39 A E T 3 S+ 0 0 133 17,-2.2 -1,-0.1 1,-0.3 19,-0.0 -0.296 123.4 21.8 -54.1 119.3 -14.1 4.4 -10.9 40 40 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.460 84.5 158.3 99.7 3.0 -14.1 8.2 -10.5 41 41 A S < - 0 0 41 -3,-2.3 2,-2.1 1,-0.1 -1,-0.3 -0.407 53.0-113.1 -64.2 131.9 -13.0 8.1 -6.8 42 42 A A + 0 0 103 -2,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.432 62.4 152.6 -66.9 81.8 -11.5 11.4 -5.7 43 43 A M - 0 0 80 -2,-2.1 -6,-0.0 1,-0.1 10,-0.0 -0.722 48.6 -86.7-113.9 164.2 -8.0 10.0 -5.1 44 44 A T - 0 0 65 -2,-0.2 -1,-0.1 1,-0.1 25,-0.0 -0.129 24.4-158.4 -62.2 164.0 -4.5 11.5 -5.3 45 45 A K + 0 0 189 24,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.605 57.2 103.4-117.2 -25.7 -2.7 11.7 -8.6 46 46 A D S S- 0 0 80 1,-0.1 2,-0.5 2,-0.0 -2,-0.0 0.089 81.3 -93.2 -52.0 171.9 0.9 12.0 -7.4 47 47 A F + 0 0 106 2,-0.0 2,-0.3 0, 0.0 22,-0.1 -0.819 46.7 167.9 -98.0 128.4 3.3 9.0 -7.5 48 48 A R > - 0 0 111 21,-1.2 3,-1.5 -2,-0.5 21,-0.4 -0.910 24.8-163.4-143.9 111.2 3.6 6.8 -4.4 49 49 A a T 3 S+ 0 0 16 -2,-0.3 -16,-0.3 1,-0.3 -1,-0.1 0.853 97.9 52.6 -60.2 -36.0 5.3 3.3 -4.5 50 50 A D T 3 S+ 0 0 66 -18,-0.2 -17,-0.6 19,-0.1 2,-0.5 0.512 105.8 68.9 -78.8 -3.5 3.6 2.5 -1.2 51 51 A R E < +c 33 0C 17 -3,-1.5 18,-2.3 18,-0.2 2,-0.4 -0.967 56.1 175.6-123.0 130.0 0.3 3.4 -2.7 52 52 A V E -cD 34 68C 0 -19,-1.8 -17,-3.1 -2,-0.5 2,-0.4 -0.983 24.8-135.4-133.2 119.8 -1.6 1.5 -5.5 53 53 A W E -c 35 0C 23 14,-0.8 2,-0.7 -2,-0.4 14,-0.3 -0.598 10.7-161.9 -78.9 130.9 -5.0 2.5 -6.6 54 54 A V E -c 36 0C 0 -19,-2.2 -17,-2.7 -2,-0.4 2,-0.6 -0.790 11.3-168.2-113.2 84.4 -7.5 -0.3 -7.1 55 55 A I E +c 37 0C 25 -2,-0.7 8,-1.7 -19,-0.2 9,-1.6 -0.649 13.8 171.9 -79.9 118.4 -10.3 1.2 -9.3 56 56 A V E -cE 38 62C 5 -19,-2.1 -17,-2.2 -2,-0.6 6,-0.3 -0.798 27.0-116.1-122.9 165.7 -13.3 -1.0 -9.4 57 57 A N > - 0 0 54 4,-2.3 3,-2.4 -2,-0.3 -1,-0.1 -0.145 50.6 -77.5 -89.2-172.6 -16.8 -0.8 -10.8 58 58 A D T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.1 -20,-0.0 0.742 133.5 55.7 -58.9 -23.4 -20.2 -0.8 -9.0 59 59 A H T 3 S- 0 0 161 2,-0.1 -1,-0.3 -42,-0.0 3,-0.1 0.385 121.7-107.1 -90.6 2.9 -19.7 -4.6 -8.7 60 60 A G S < S+ 0 0 32 -3,-2.4 -42,-2.5 1,-0.3 2,-0.4 0.762 72.7 144.7 77.1 25.1 -16.4 -4.2 -7.0 61 61 A V B -B 17 0B 34 -44,-0.2 -4,-2.3 -43,-0.1 2,-0.7 -0.828 57.9-114.2-100.2 132.9 -14.5 -5.4 -10.1 62 62 A V B +E 56 0C 1 -46,-3.0 -47,-2.7 -2,-0.4 -6,-0.3 -0.525 42.1 166.2 -68.1 109.0 -11.1 -3.9 -11.0 63 63 A T + 0 0 49 -8,-1.7 2,-0.3 -2,-0.7 -7,-0.2 0.786 59.8 54.6 -93.1 -33.8 -11.7 -2.0 -14.2 64 64 A S S S- 0 0 46 -9,-1.6 -49,-0.2 -51,-0.1 -9,-0.1 -0.684 97.9 -93.0-102.2 157.1 -8.5 0.0 -14.2 65 65 A V - 0 0 50 -2,-0.3 2,-1.0 -51,-0.1 -12,-0.1 -0.518 34.6-134.2 -69.6 123.4 -5.0 -1.2 -14.0 66 66 A P + 0 0 0 0, 0.0 -56,-2.0 0, 0.0 2,-0.4 -0.681 43.8 155.2 -82.0 101.8 -3.7 -1.3 -10.4 67 67 A H B -A 9 0A 74 -2,-1.0 -14,-0.8 -14,-0.3 -58,-0.3 -0.977 56.9 -76.6-132.3 146.0 -0.3 0.3 -10.6 68 68 A I B D 52 0C 6 -60,-2.0 -16,-0.3 -2,-0.4 -19,-0.2 -0.096 360.0 360.0 -39.3 106.3 2.0 2.1 -8.1 69 69 A T 0 0 28 -18,-2.3 -21,-1.2 -21,-0.4 -18,-0.2 0.085 360.0 360.0-151.6 360.0 0.3 5.5 -8.0