==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE INHIBITOR 22-APR-98 1BA7 . COMPND 2 MOLECULE: TRYPSIN INHIBITOR (KUNITZ); . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR P.DE MEESTER,P.BRICK,L.F.LLOYD,D.M.BLOW,S.ONESTI . 334 6 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 38.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 20 7 2 4 3 1 2 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 2 0 0 0 0 0 0 0 0 0 1 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 D 0 0 99 0, 0.0 68,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-177.0 36.7 36.8 58.5 2 2 A F B -A 68 0A 107 66,-0.3 2,-0.3 1,-0.1 66,-0.3 -0.507 360.0-116.6 -79.5 149.9 35.2 34.1 56.3 3 3 A V - 0 0 0 64,-2.7 8,-2.7 8,-0.2 2,-0.3 -0.697 37.3-151.6 -82.3 139.6 32.5 35.0 53.9 4 4 A L B -B 10 0B 46 -2,-0.3 160,-0.4 6,-0.3 2,-0.1 -0.884 6.6-133.3-117.9 149.5 29.3 33.1 54.9 5 5 A D > - 0 0 0 4,-2.9 3,-2.0 -2,-0.3 160,-0.2 -0.264 45.7 -86.5 -85.8-178.9 26.3 31.9 52.9 6 6 A N T 3 S+ 0 0 66 158,-3.2 159,-0.1 1,-0.3 -1,-0.1 0.359 128.0 58.4 -75.2 11.0 22.7 32.5 53.9 7 7 A E T 3 S- 0 0 132 2,-0.2 -1,-0.3 157,-0.2 158,-0.1 0.310 120.0-106.5-114.3 1.1 22.8 29.4 56.1 8 8 A G S < S+ 0 0 39 -3,-2.0 -2,-0.1 1,-0.3 -4,-0.0 0.602 78.1 129.2 84.7 11.7 25.7 30.7 58.2 9 9 A N - 0 0 76 1,-0.1 -4,-2.9 3,-0.0 -1,-0.3 -0.756 64.7-102.0-100.0 148.4 28.3 28.4 56.7 10 10 A P B -B 4 0B 38 0, 0.0 -6,-0.3 0, 0.0 2,-0.1 -0.368 42.1-102.1 -67.4 144.3 31.7 29.6 55.3 11 11 A L - 0 0 0 -8,-2.7 56,-2.3 56,-0.4 2,-0.5 -0.445 37.7-129.3 -66.0 134.9 31.9 29.9 51.5 12 12 A E B > -C 66 0C 68 54,-0.2 3,-3.0 -2,-0.1 2,-0.4 -0.769 19.9-111.7 -94.2 129.4 33.9 26.9 50.1 13 13 A N T 3 S+ 0 0 46 52,-3.0 46,-0.2 -2,-0.5 -1,-0.1 -0.388 107.6 11.5 -57.2 108.6 36.8 27.5 47.7 14 14 A G T 3 S+ 0 0 39 44,-3.4 -1,-0.3 -2,-0.4 45,-0.2 0.396 97.9 134.2 101.9 -3.4 35.5 26.2 44.4 15 15 A G < - 0 0 14 -3,-3.0 43,-2.2 43,-0.5 2,-0.5 -0.309 56.4-116.6 -77.5 164.9 31.9 25.7 45.5 16 16 A T E +D 57 0D 34 41,-0.2 151,-2.2 151,-0.2 2,-0.3 -0.897 38.7 171.5-106.0 126.6 28.8 26.8 43.5 17 17 A Y E -DE 56 166D 0 39,-2.6 39,-3.6 -2,-0.5 2,-0.4 -0.909 34.0-122.9-132.0 159.4 26.6 29.5 44.9 18 18 A Y E - E 0 165D 34 147,-2.3 147,-1.8 -2,-0.3 2,-1.0 -0.845 25.5-138.0 -97.5 136.2 23.6 31.6 43.8 19 19 A I E - E 0 164D 1 -2,-0.4 10,-1.2 35,-0.4 145,-0.2 -0.829 31.3-171.7 -99.4 97.6 24.4 35.3 44.1 20 20 A L E - E 0 163D 25 143,-2.2 143,-2.3 -2,-1.0 2,-0.2 -0.515 20.7-108.4 -90.5 158.9 21.2 36.6 45.6 21 21 A S E - E 0 162D 12 5,-0.3 141,-0.2 141,-0.2 -1,-0.1 -0.584 8.1-138.2 -89.9 146.5 20.1 40.2 46.1 22 22 A D S S+ 0 0 82 139,-1.9 -1,-0.1 -2,-0.2 140,-0.1 0.956 90.5 77.1 -61.6 -50.6 19.8 41.9 49.4 23 23 A I S > S- 0 0 67 138,-0.3 3,-0.6 1,-0.1 -2,-0.2 -0.366 79.6-141.8 -62.5 135.1 16.6 43.6 48.2 24 24 A T T 3 S+ 0 0 82 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.524 96.7 68.9 -76.5 -3.7 13.6 41.2 48.2 25 25 A A T 3 S+ 0 0 55 2,-0.1 24,-0.5 23,-0.1 -1,-0.2 0.795 94.0 56.9 -85.0 -31.7 12.6 42.8 44.9 26 26 A F < - 0 0 55 -3,-0.6 -5,-0.3 22,-0.1 21,-0.2 -0.535 69.4-139.9-101.1 167.6 15.4 41.6 42.7 27 27 A G - 0 0 3 19,-2.4 25,-0.2 1,-0.2 -6,-0.2 -0.076 37.9 -62.0-103.6-154.1 16.6 38.1 41.8 28 28 A G - 0 0 0 23,-2.9 18,-2.8 20,-0.3 25,-0.3 -0.260 56.0 -82.7 -90.3 179.9 20.1 36.6 41.3 29 29 A I E +L 45 0E 3 -10,-1.2 25,-2.2 23,-0.4 -10,-0.2 -0.593 56.9 146.2 -83.3 140.9 22.9 37.3 38.9 30 30 A R E -L 44 0E 75 14,-2.6 14,-2.9 -2,-0.3 2,-0.3 -0.846 42.9 -89.8-154.7-170.2 22.9 35.8 35.4 31 31 A A E +L 43 0E 11 -2,-0.2 12,-0.2 12,-0.2 10,-0.1 -0.867 37.4 166.8-116.9 150.4 23.9 36.5 31.8 32 32 A A E -L 42 0E 24 10,-2.2 10,-1.9 -2,-0.3 2,-0.4 -0.986 37.8-104.2-155.9 154.3 22.0 38.2 29.0 33 33 A P + 0 0 73 0, 0.0 2,-0.3 0, 0.0 5,-0.0 -0.722 41.0 177.2 -87.1 132.2 22.7 39.6 25.6 34 34 A T > - 0 0 24 -2,-0.4 3,-2.0 5,-0.3 7,-0.1 -0.929 48.9 -7.6-129.9 156.4 22.8 43.4 25.4 35 35 A G T 3 S- 0 0 84 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.376 132.4 -17.0 62.8-131.3 23.6 45.8 22.6 36 36 A N T 3 S+ 0 0 111 -2,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.392 101.6 133.3 -87.7 4.1 24.8 44.1 19.4 37 37 A E < - 0 0 46 -3,-2.0 5,-0.0 1,-0.2 -2,-0.0 -0.326 35.4-175.8 -61.9 128.7 25.6 40.9 21.5 38 38 A R S S+ 0 0 133 -2,-0.1 -1,-0.2 -5,-0.0 48,-0.1 0.783 74.2 49.9 -91.6 -33.9 24.4 37.7 20.0 39 39 A a S S- 0 0 18 -5,-0.1 2,-2.0 -7,-0.1 -5,-0.3 -0.740 104.0 -97.4-102.6 153.8 25.5 35.5 22.9 40 40 A P + 0 0 18 0, 0.0 68,-0.1 0, 0.0 -2,-0.0 -0.484 66.2 145.6 -72.2 84.9 24.6 36.3 26.5 41 41 A L + 0 0 39 -2,-2.0 66,-2.6 -9,-0.1 2,-0.5 0.565 40.3 89.9 -98.1 -11.7 27.9 38.1 27.4 42 42 A T E S-LM 32 106E 2 -10,-1.9 -10,-2.2 64,-0.2 2,-0.5 -0.765 71.1-137.5 -93.0 126.3 26.6 40.7 29.8 43 43 A V E +L 31 0E 0 62,-1.7 109,-2.4 -2,-0.5 2,-0.3 -0.707 36.4 172.1 -82.5 123.6 26.4 39.9 33.5 44 44 A V E -LN 30 151E 3 -14,-2.9 -14,-2.6 -2,-0.5 2,-0.5 -0.881 36.6-116.0-132.5 162.8 23.1 41.3 34.8 45 45 A Q E -L 29 0E 2 105,-2.7 105,-0.4 -2,-0.3 -16,-0.2 -0.882 40.1-117.3 -99.6 124.9 20.9 41.2 37.9 46 46 A S - 0 0 12 -18,-2.8 -19,-2.4 -2,-0.5 -1,-0.0 -0.260 9.3-150.3 -60.4 142.7 17.5 39.5 37.4 47 47 A R S S+ 0 0 137 -21,-0.2 2,-0.7 1,-0.0 -1,-0.1 0.625 76.4 90.4 -87.5 -14.8 14.4 41.6 37.8 48 48 A N > - 0 0 83 1,-0.1 3,-1.9 -20,-0.1 -20,-0.3 -0.756 65.2-156.5 -89.8 111.8 12.5 38.6 38.9 49 49 A E T 3 S+ 0 0 121 -2,-0.7 -1,-0.1 -24,-0.5 -23,-0.1 0.709 95.2 54.9 -57.2 -23.6 12.6 38.0 42.7 50 50 A L T 3 S+ 0 0 127 -25,-0.1 2,-0.7 -23,-0.1 -1,-0.3 0.602 87.5 95.2 -86.9 -11.5 11.9 34.3 42.2 51 51 A D < - 0 0 34 -3,-1.9 -23,-2.9 1,-0.1 -5,-0.1 -0.728 52.4-171.8 -86.5 114.7 14.8 33.9 39.9 52 52 A K - 0 0 88 -2,-0.7 -23,-0.4 1,-0.2 -33,-0.3 0.618 34.5-143.0 -78.8 -15.2 17.9 32.7 41.7 53 53 A G - 0 0 11 -25,-0.3 2,-0.4 -35,-0.1 -23,-0.2 -0.381 40.2 -28.9 85.1-164.5 20.1 33.2 38.6 54 54 A I - 0 0 9 -25,-2.2 -35,-0.4 -2,-0.1 -25,-0.2 -0.725 67.4-106.9 -93.8 137.6 22.9 31.1 37.4 55 55 A G - 0 0 5 -2,-0.4 23,-3.2 24,-0.2 2,-0.5 -0.420 37.4-149.3 -61.3 131.3 25.0 29.1 39.9 56 56 A T E -DF 17 77D 0 -39,-3.6 -39,-2.6 21,-0.2 2,-0.6 -0.918 6.2-139.5-111.5 127.4 28.4 30.8 40.2 57 57 A I E -DF 16 76D 33 19,-3.7 19,-1.8 -2,-0.5 2,-0.5 -0.750 21.6-162.7 -84.2 121.2 31.6 28.9 40.9 58 58 A I E + F 0 75D 0 -43,-2.2 -44,-3.4 -2,-0.6 -43,-0.5 -0.929 17.8 162.3-111.2 119.1 33.7 31.0 43.4 59 59 A S E - F 0 74D 36 15,-2.0 15,-2.5 -2,-0.5 -46,-0.1 -0.948 26.2-153.8-138.3 159.3 37.4 30.2 43.8 60 60 A S - 0 0 10 -2,-0.3 4,-0.2 2,-0.3 13,-0.2 -0.973 24.0-132.1-128.4 141.2 40.6 31.7 45.1 61 61 A P S S+ 0 0 56 0, 0.0 12,-0.1 0, 0.0 -1,-0.1 0.731 80.9 102.4 -65.2 -20.0 44.1 30.8 43.8 62 62 A Y S S- 0 0 118 10,-0.3 2,-2.4 1,-0.1 -2,-0.3 -0.361 86.7-117.3 -65.0 142.3 45.1 30.5 47.5 63 63 A R S S+ 0 0 232 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.410 73.8 123.2 -79.9 63.6 45.4 26.9 48.8 64 64 A I - 0 0 60 -2,-2.4 -4,-0.2 -4,-0.2 3,-0.1 -0.857 58.7-144.8-121.7 159.1 42.6 27.5 51.3 65 65 A R S S+ 0 0 175 -2,-0.3 -52,-3.0 1,-0.2 2,-0.4 0.800 83.9 48.6 -91.9 -32.9 39.4 25.6 51.8 66 66 A F B S-C 12 0C 53 -54,-0.3 -54,-0.2 -52,-0.1 2,-0.2 -0.935 81.4-124.0-117.8 131.1 37.2 28.6 52.9 67 67 A I - 0 0 0 -56,-2.3 -64,-2.7 -2,-0.4 -56,-0.4 -0.455 30.8-171.7 -73.1 134.1 36.9 31.9 51.2 68 68 A A B > -A 2 0A 14 -66,-0.3 3,-1.8 -2,-0.2 52,-0.3 -0.825 34.6 -81.3-123.2 162.0 37.6 35.0 53.4 69 69 A E T 3 S+ 0 0 67 -68,-2.7 52,-0.2 -2,-0.3 -1,-0.1 -0.297 116.1 24.0 -59.1 144.7 37.2 38.7 52.9 70 70 A G T 3 S+ 0 0 39 50,-1.6 -1,-0.3 1,-0.3 51,-0.1 0.252 87.0 134.8 83.6 -15.6 40.1 40.2 51.0 71 71 A H < - 0 0 37 -3,-1.8 49,-0.3 49,-0.2 -1,-0.3 -0.458 64.8-111.3 -67.9 136.8 40.9 36.9 49.2 72 72 A P - 0 0 4 0, 0.0 -10,-0.3 0, 0.0 2,-0.3 -0.511 46.2-162.8 -69.0 136.1 41.6 37.4 45.5 73 73 A L B -G 118 0D 2 45,-3.0 45,-1.9 -2,-0.2 2,-0.4 -0.875 26.1-154.8-127.6 159.7 38.7 35.7 43.6 74 74 A S E -F 59 0D 20 -15,-2.5 -15,-2.0 -2,-0.3 2,-0.4 -0.986 17.3-154.2-125.8 132.6 37.7 34.4 40.3 75 75 A L E +F 58 0D 3 -2,-0.4 18,-3.3 18,-0.3 2,-0.4 -0.938 16.6 173.9-111.9 133.3 34.0 34.2 39.4 76 76 A K E -FH 57 92D 89 -19,-1.8 -19,-3.7 -2,-0.4 16,-0.3 -0.983 27.9-127.1-142.8 125.4 32.7 31.7 36.8 77 77 A F E -F 56 0D 1 14,-2.8 -21,-0.2 -2,-0.4 14,-0.2 -0.426 25.1-128.5 -70.1 146.2 29.1 30.8 35.8 78 78 A D - 0 0 66 -23,-3.2 -1,-0.1 1,-0.2 -24,-0.0 -0.290 54.6 -57.4 -79.3 177.5 28.2 27.2 36.0 79 79 A S + 0 0 110 -2,-0.1 2,-0.3 -25,-0.0 -24,-0.2 -0.262 66.4 166.4 -61.3 141.0 26.6 25.8 32.8 80 80 A F - 0 0 46 -3,-0.1 2,-0.3 -26,-0.1 -26,-0.0 -0.943 41.8 -71.2-149.2 167.7 23.4 27.4 31.5 81 81 A A + 0 0 39 -2,-0.3 2,-0.3 6,-0.0 214,-0.0 -0.496 54.2 158.5 -72.9 124.6 21.3 27.4 28.3 82 82 A V - 0 0 31 -2,-0.3 93,-0.1 -43,-0.1 -43,-0.1 -0.947 45.1 -94.1-139.0 155.7 22.7 29.1 25.2 83 83 A I > - 0 0 10 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.343 44.9-103.5 -68.7 154.8 22.0 28.8 21.5 84 84 A M G > S+ 0 0 50 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.844 120.3 63.8 -45.1 -43.1 24.2 26.4 19.6 85 85 A L G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -47,-0.1 -46,-0.1 0.768 104.2 46.9 -53.8 -31.2 26.1 29.3 18.1 86 86 A a G X S+ 0 0 1 -3,-2.2 3,-1.4 -48,-0.1 -1,-0.3 0.273 79.1 130.0 -98.7 7.7 27.4 30.2 21.6 87 87 A V T < + 0 0 92 -3,-1.9 -6,-0.0 -4,-0.3 -3,-0.0 -0.433 69.9 24.1 -65.8 134.2 28.4 26.8 22.8 88 88 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.340 80.9 143.3 96.5 -6.5 31.9 26.8 24.3 89 89 A I < - 0 0 42 -3,-1.4 -1,-0.3 1,-0.1 2,-0.2 -0.295 59.1-100.3 -68.0 150.5 32.3 30.4 25.3 90 90 A P - 0 0 53 0, 0.0 18,-2.5 0, 0.0 -1,-0.1 -0.500 27.8-163.6 -69.7 141.2 34.2 31.2 28.5 91 91 A T + 0 0 24 16,-0.2 -14,-2.8 -2,-0.2 2,-0.3 0.096 47.1 123.2-112.6 19.5 31.9 31.9 31.5 92 92 A E B -H 76 0D 84 -16,-0.3 -16,-0.3 16,-0.1 2,-0.2 -0.634 68.3-111.1 -82.1 139.9 34.5 33.5 33.7 93 93 A W - 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