==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-OCT-91 1PPC . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.BODE,D.TURK . 224 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 1 0 1 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 . 2 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 16 E I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.2 -3.7 9.2 10.9 2 17 E V B +A 171 0A 10 169,-2.7 169,-1.9 1,-0.2 123,-0.1 -0.854 360.0 7.4-100.8 130.8 -7.4 10.2 11.1 3 18 E G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.680 102.0 121.0 73.5 19.4 -8.4 13.2 8.9 4 19 E G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.079 55.5-118.6 -97.7-159.8 -5.0 13.5 7.1 5 20 E Y E -B 137 0B 95 132,-2.3 132,-2.9 -3,-0.1 2,-0.4 -0.942 35.5 -85.2-141.0 159.0 -4.0 13.3 3.5 6 21 E T E -B 136 0B 74 -2,-0.3 130,-0.3 130,-0.2 3,-0.1 -0.530 38.2-148.4 -65.7 122.3 -1.7 11.1 1.3 7 22 E a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.879 35.4-111.5 -62.1 -38.2 1.7 12.5 1.8 8 23 E G > - 0 0 28 127,-0.5 3,-1.8 4,-0.0 4,-0.2 -0.069 50.1 -56.5 107.0 142.8 3.1 11.6 -1.7 9 24 E A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.282 117.4 -12.5 -66.9 125.3 5.8 9.0 -2.2 10 25 E N T 3 S+ 0 0 35 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.642 90.0 127.8 63.7 23.6 9.0 9.8 -0.3 11 26 E T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.504 75.1 50.5 -84.4 -4.2 8.0 13.3 0.6 12 27 E V S > S+ 0 0 8 -4,-0.2 3,-1.9 87,-0.1 -1,-0.3 -0.669 73.8 174.6-127.5 77.2 8.8 12.6 4.3 13 28 E P T 3 S+ 0 0 33 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.583 71.2 57.4 -74.2 -11.3 12.2 11.0 3.8 14 29 E Y T 3 S+ 0 0 19 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.440 79.7 113.8 -92.6 -4.6 13.1 10.6 7.5 15 30 E Q E < -J 28 0C 7 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.540 47.3-168.3 -75.9 132.2 10.0 8.4 8.2 16 31 E V E -J 27 0C 0 11,-2.3 11,-1.3 -2,-0.3 2,-0.4 -0.851 15.5-144.9-117.3 148.2 10.7 4.8 9.2 17 32 E S E -JK 26 49C 0 32,-2.2 32,-3.1 -2,-0.3 2,-0.5 -0.965 13.8-145.7-108.6 128.8 8.4 1.8 9.4 18 33 E L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-1.1 -0.903 26.3-169.7 -93.4 127.9 9.3 -0.7 12.3 19 34 E N E +JK 23 47C 16 28,-2.7 28,-2.2 -2,-0.5 4,-0.2 -0.956 34.7 167.7-130.0 130.4 8.4 -4.2 11.0 20 37 E S S S- 0 0 34 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.411 96.8 -49.4-130.6 53.1 8.2 -7.6 12.6 21 38 E G S S+ 0 0 74 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.462 140.1 35.1 91.1 2.2 6.4 -9.4 9.7 22 39 E Y S S- 0 0 129 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.911 102.0 -86.9-172.2 156.8 3.9 -6.4 9.7 23 40 E H E +J 19 0C 29 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.653 50.3 159.4 -74.6 125.6 4.2 -2.7 10.4 24 41 E F E + 0 0 29 -6,-2.5 2,-0.3 -2,-0.4 151,-0.2 0.542 59.1 2.2-125.4 -15.9 3.8 -2.0 14.1 25 42 E b E -J 18 0C 6 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.979 61.3-127.3-162.1 162.2 5.3 1.4 14.8 26 43 E G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.472 24.9 177.1-104.6-176.1 6.9 4.4 13.1 27 44 E G E -J 16 0C 0 -11,-1.3 -11,-2.3 -2,-0.2 2,-0.4 -0.966 25.1-111.7-170.9 176.4 10.2 6.1 13.8 28 45 E S E -JL 15 36C 1 8,-2.4 8,-2.4 -2,-0.3 2,-0.6 -0.991 19.8-130.9-130.9 130.6 12.5 8.9 12.6 29 46 E L E + L 0 35C 0 -15,-2.5 74,-2.1 -2,-0.4 6,-0.2 -0.692 27.9 173.0 -76.6 120.9 15.9 8.6 11.0 30 47 E I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.509 68.9 -7.8-109.2 -10.3 18.2 11.1 12.9 31 48 E N E > S- L 0 34C 50 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.931 90.8 -78.9-163.0-177.5 21.5 10.0 11.3 32 49 E S T 3 S+ 0 0 46 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.652 127.9 27.9 -70.0 -9.0 22.7 7.1 8.9 33 50 E Q T 3 S+ 0 0 62 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.431 110.2 70.4-127.6 1.3 22.8 4.6 11.8 34 51 E W E < -LM 31 89C 9 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.2 -0.964 47.8-173.9-132.8 140.1 20.2 5.8 14.4 35 52 E V E -LM 29 88C 0 53,-2.5 53,-3.0 -2,-0.4 2,-0.4 -0.943 13.7-147.9-122.6 144.4 16.4 5.9 14.6 36 53 E V E +LM 28 87C 0 -8,-2.4 -8,-2.4 -2,-0.4 2,-0.2 -0.926 32.5 143.8-114.0 139.1 14.3 7.5 17.3 37 54 E S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.767 50.9 -63.4-148.9-165.8 10.9 6.0 18.2 38 55 E A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.727 32.2-129.9 -93.8 146.6 8.8 5.4 21.3 39 56 E A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.835 108.1 63.7 -61.2 -31.0 9.7 3.1 24.2 40 57 E H G 3 S+ 0 0 45 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.581 92.7 65.5 -71.7 -8.5 6.3 1.4 24.0 41 58 E b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.427 73.6 130.2 -86.6 -2.1 7.3 0.2 20.5 42 59 E Y < + 0 0 128 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.316 22.1 142.1 -57.7 135.8 10.1 -1.9 22.0 43 60 E K - 0 0 57 -2,-0.1 3,-0.3 0, 0.0 2,-0.2 -0.953 49.5-112.9-162.6 150.0 10.1 -5.5 20.7 44 61 E S S S+ 0 0 99 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.645 96.1 44.1 -87.1 157.8 12.9 -7.9 19.8 45 62 E G S S+ 0 0 67 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.879 75.4 168.9 81.1 40.0 13.3 -8.8 16.1 46 63 E I - 0 0 9 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.727 19.5-168.2 -90.4 129.1 12.8 -5.3 14.6 47 64 E Q E -KN 19 66C 54 -28,-2.2 -28,-2.7 -2,-0.4 2,-0.5 -0.970 16.7-143.1-111.1 127.4 13.6 -4.7 11.0 48 65 E V E -KN 18 65C 0 17,-3.1 17,-2.5 -2,-0.5 2,-0.6 -0.818 10.4-156.7 -94.3 128.4 13.7 -1.0 10.1 49 66 E R E -KN 17 64C 52 -32,-3.1 -32,-2.2 -2,-0.5 3,-0.3 -0.941 12.8-174.3-113.7 116.9 12.2 -0.1 6.7 50 67 E L E + N 0 63C 2 13,-2.8 13,-1.9 -2,-0.6 -34,-0.1 -0.670 61.8 28.4-105.0 155.0 13.4 3.1 5.1 51 69 E G S S+ 0 0 6 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.739 85.7 155.2 68.7 22.6 12.3 4.9 1.9 52 70 E E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.551 22.0 149.5 -84.3 147.6 8.8 3.4 2.2 53 71 E D S S+ 0 0 15 1,-0.5 2,-0.8 4,-0.2 -1,-0.1 0.239 78.7 34.5-130.0 -82.4 5.5 4.6 0.8 54 72 E N S > S- 0 0 24 80,-0.2 3,-0.6 1,-0.2 -1,-0.5 -0.650 73.4-162.8 -71.5 110.3 3.2 1.7 0.0 55 73 E I T 3 S+ 0 0 30 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.630 83.7 53.6 -72.6 -8.3 4.2 -0.7 2.9 56 74 E N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.525 105.0 54.7-102.4 -9.8 2.7 -3.7 1.1 57 75 E V S < S- 0 0 74 -3,-0.6 2,-0.6 76,-0.1 -4,-0.2 -0.971 77.6-127.8-122.0 135.2 4.4 -3.5 -2.2 58 76 E V + 0 0 118 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.754 39.7 163.5 -76.7 125.2 8.2 -3.3 -3.1 59 77 E E - 0 0 105 -2,-0.6 -1,-0.2 1,-0.3 2,-0.2 0.559 52.8 -89.7-120.5 -17.9 8.2 -0.2 -5.3 60 78 E G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.334 102.5 63.7 114.4 152.5 11.9 0.7 -5.4 61 79 E N S S+ 0 0 75 1,-0.3 2,-0.1 -2,-0.2 -9,-0.0 0.331 70.3 131.1 82.0 -6.8 13.9 3.0 -3.0 62 80 E E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.485 36.9-168.7 -72.9 150.0 13.3 0.8 0.1 63 81 E Q E -N 50 0C 41 -13,-1.9 -13,-2.8 -2,-0.1 2,-0.5 -0.989 4.6-161.3-135.1 128.9 16.2 -0.2 2.3 64 82 E F E +N 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.961 17.5 169.1-112.8 124.3 15.5 -2.9 4.9 65 83 E I E -N 48 0C 17 -17,-2.5 -17,-3.1 -2,-0.5 2,-0.2 -0.994 29.5-125.0-137.7 130.2 18.1 -3.0 7.8 66 84 E S E -N 47 0C 52 -2,-0.4 25,-2.9 -19,-0.2 2,-0.3 -0.490 28.1-111.8 -71.3 153.9 17.9 -4.9 11.0 67 85 E A E -O 90 0C 20 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.649 22.0-166.4 -78.9 132.3 18.2 -3.2 14.3 68 86 E S E S- 0 0 56 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.734 74.5 -2.8 -90.3 -28.6 21.4 -4.2 16.1 69 87 E K E -O 89 0C 90 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.969 56.8-152.9-157.8 148.4 20.2 -2.7 19.5 70 88 E S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.989 12.6-160.7-122.6 131.8 17.2 -0.9 20.9 71 89 E I E -O 87 0C 33 16,-3.0 16,-2.4 -2,-0.4 2,-0.2 -0.930 3.0-161.9-123.0 98.8 17.8 1.4 23.9 72 90 E V E -O 86 0C 42 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.582 41.0 -92.5 -75.0 142.4 14.6 2.2 25.8 73 91 E H > - 0 0 24 12,-2.0 3,-2.0 10,-0.3 -1,-0.1 -0.414 35.2-126.8 -55.2 130.4 15.1 5.3 28.1 74 92 E P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.739 107.5 46.0 -52.5 -28.6 16.2 3.9 31.6 75 93 E S T 3 S+ 0 0 76 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.108 77.0 137.7-104.7 19.7 13.4 5.8 33.3 76 94 E Y < - 0 0 57 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.440 39.1-157.5 -60.7 134.3 10.5 4.9 30.9 77 95 E N > - 0 0 69 5,-1.9 4,-2.5 -2,-0.1 3,-0.5 -0.949 8.5-158.5-119.4 117.5 7.5 4.1 33.0 78 96 E S T 4 S+ 0 0 72 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.664 88.9 55.6 -71.6 -14.2 5.0 2.0 31.2 79 97 E N T 4 S+ 0 0 131 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.854 122.9 22.0 -86.2 -34.0 2.1 3.0 33.4 80 98 E T T 4 S- 0 0 65 -3,-0.5 -2,-0.2 2,-0.1 77,-0.1 0.575 94.0-132.5-101.6 -20.8 2.4 6.8 32.9 81 99 E L >< + 0 0 13 -4,-2.5 3,-1.0 1,-0.3 -3,-0.2 0.554 49.7 157.5 69.3 15.6 4.2 6.8 29.6 82 100 E N T 3 + 0 0 35 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.456 65.5 17.7 -66.5 140.2 6.6 9.3 31.0 83 101 E N T 3 S+ 0 0 21 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.850 79.6 175.1 64.2 39.2 10.0 9.2 29.1 84 102 E D < + 0 0 0 -3,-1.0 2,-0.3 75,-0.2 -1,-0.2 -0.453 32.0 113.5 -79.0 82.7 8.4 7.4 26.2 85 103 E I - 0 0 0 -2,-2.2 -12,-2.0 -47,-0.3 2,-0.3 -0.998 37.9-176.9-150.4 146.9 11.5 7.4 23.9 86 104 E M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.996 16.4-143.3-144.5 144.9 13.8 4.7 22.4 87 105 E L E -MO 36 71C 0 -16,-2.4 -16,-3.0 -2,-0.3 2,-0.5 -0.895 13.5-160.7-105.6 139.6 16.9 4.8 20.3 88 106 E I E -MO 35 70C 0 -53,-3.0 -53,-2.5 -2,-0.4 2,-0.4 -0.987 5.3-152.0-121.9 126.3 17.4 2.1 17.7 89 107 E K E -MO 34 69C 43 -20,-2.7 -21,-3.0 -2,-0.5 -20,-1.2 -0.808 19.0-131.0 -92.6 132.8 20.9 1.5 16.2 90 108 E L E - O 0 67C 0 -57,-2.9 -23,-0.2 -2,-0.4 -24,-0.0 -0.627 10.3-129.5 -82.3 145.2 21.0 0.0 12.7 91 109 E K S S+ 0 0 125 -25,-2.9 2,-0.3 -2,-0.3 -1,-0.1 0.855 96.0 13.5 -59.7 -37.3 23.1 -3.0 11.9 92 110 E S S S- 0 0 70 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.937 95.7 -91.6-133.1 161.2 24.5 -1.1 8.9 93 111 E A - 0 0 57 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.471 41.7-121.8 -72.6 139.4 24.4 2.6 7.9 94 112 E A - 0 0 8 -62,-3.0 2,-0.7 -2,-0.1 -1,-0.1 -0.423 25.1-111.7 -71.0 156.3 21.5 3.6 5.6 95 113 E S - 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