==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 12-MAR-01 1H9I . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR R.KRAETZNER,A.WENTZEL,H.KOLMAR,I.USON . 253 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 15 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.5 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 . 4 4 1 6 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 . 1 0 0 0 0 1 0 0 1 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 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 115.0 55.0 100.7 8.3 2 17 E V B +A 171 0A 10 169,-2.7 169,-2.1 1,-0.2 123,-0.1 -0.808 360.0 8.3 -94.9 130.3 53.9 104.0 9.9 3 18 E G S S+ 0 0 34 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.687 101.2 112.4 76.3 20.3 53.8 104.1 13.7 4 19 E G - 0 0 28 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.157 60.0-113.7-105.0-153.7 55.3 100.7 14.4 5 20 E Y E -B 137 0B 121 132,-2.4 132,-3.0 -3,-0.1 2,-0.4 -0.934 35.4 -85.4-138.0 160.5 58.6 99.6 15.9 6 21 E T E -B 136 0B 69 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.578 47.5-129.2 -68.9 125.3 61.8 97.9 14.8 7 22 E a - 0 0 3 128,-2.5 2,-0.1 -2,-0.4 3,-0.1 -0.379 29.6 -96.8 -67.7 154.1 61.3 94.1 14.9 8 23 E A > - 0 0 68 1,-0.1 3,-2.2 3,-0.1 4,-0.2 -0.470 60.8 -82.1 -61.4 139.7 63.9 92.0 16.7 9 24 E A T 3 S- 0 0 57 1,-0.3 -1,-0.1 -2,-0.1 44,-0.1 -0.201 108.5 -6.9 -52.2 129.4 66.3 90.6 14.1 10 25 E N T 3 S+ 0 0 34 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.676 94.9 125.0 58.3 22.5 65.0 87.5 12.4 11 26 E S < + 0 0 61 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.546 69.0 54.3 -86.9 -4.3 62.1 87.4 14.8 12 27 E I S > S+ 0 0 13 -4,-0.2 3,-2.0 87,-0.1 -1,-0.2 -0.748 70.7 171.3-120.8 72.6 59.6 87.3 11.9 13 28 E P T 3 + 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.596 69.2 59.2 -71.8 -11.7 61.1 84.3 10.1 14 29 E Y T 3 S+ 0 0 24 86,-0.2 15,-2.6 88,-0.1 2,-0.3 0.487 82.1 107.9 -91.8 -7.5 58.3 84.0 7.5 15 30 E Q E < -K 28 0C 4 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.525 47.8-176.5 -71.7 131.1 58.8 87.5 6.2 16 31 E V E -KL 27 50C 1 11,-2.3 11,-1.2 -2,-0.3 2,-0.4 -0.909 20.8-138.5-122.2 160.7 60.4 87.8 2.7 17 32 E S E -KL 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.948 15.1-142.8-110.5 132.5 61.6 90.7 0.6 18 33 E L E -KL 25 48C 0 7,-3.2 6,-2.1 -2,-0.4 7,-1.0 -0.870 25.8-166.5 -93.8 129.6 60.8 90.6 -3.2 19 34 E N E +KL 23 47C 14 28,-2.7 28,-3.1 -2,-0.5 4,-0.2 -0.954 33.1 165.4-128.9 131.2 63.7 92.1 -5.1 20 37 E S S S- 0 0 55 2,-2.1 3,-0.0 -2,-0.4 26,-0.0 -0.516 97.7 -41.4-130.1 64.9 64.2 93.2 -8.7 21 38 E G S S+ 0 0 78 26,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.143 140.0 15.8 99.2 -37.0 67.5 95.2 -8.2 22 39 E S S S- 0 0 69 -4,-0.0 -2,-2.1 0, 0.0 2,-0.1 -0.946 102.8 -70.4-156.9 167.0 66.1 96.5 -5.0 23 40 E H E +K 19 0C 15 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.344 53.2 152.8 -60.0 133.3 63.3 95.8 -2.5 24 41 E F E + 0 0 4 -6,-2.1 206,-2.0 1,-0.5 2,-0.3 0.561 60.9 9.9-136.5 -19.8 59.8 96.6 -3.9 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-3.2 204,-0.2 -1,-0.5 -0.975 63.2-128.2-151.4 160.6 57.3 94.3 -2.1 26 43 E G E -K 17 0C 2 151,-3.0 12,-0.3 -2,-0.3 2,-0.3 -0.407 24.1-178.2 -96.4-176.9 57.1 91.9 0.8 27 44 E G E -K 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.935 22.3-117.0-168.3 175.9 55.8 88.3 0.9 28 45 E S E -KM 15 36C 0 8,-2.1 8,-2.3 -2,-0.3 2,-0.7 -0.992 19.5-130.3-130.3 131.0 55.2 85.4 3.3 29 46 E L E + M 0 35C 0 -15,-2.6 74,-2.0 -2,-0.4 6,-0.2 -0.732 33.0 165.0 -82.0 116.6 56.8 81.9 3.2 30 47 E I E + 0 0 27 4,-1.9 2,-0.3 -2,-0.7 5,-0.2 0.463 68.9 13.1-110.8 -4.1 54.0 79.4 3.4 31 48 E N E > S- M 0 34C 68 3,-1.4 3,-1.0 70,-0.1 -1,-0.3 -0.955 86.6-100.5-157.6 159.1 56.0 76.3 2.3 32 49 E S T 3 S+ 0 0 37 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.793 126.4 28.9 -57.4 -22.6 59.7 75.6 1.9 33 50 E Q T 3 S+ 0 0 49 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.362 112.8 70.0-116.5 5.3 59.2 76.2 -1.8 34 51 E W E < -MN 31 89C 8 -3,-1.0 -4,-1.9 55,-0.2 -3,-1.4 -0.989 49.5-173.7-136.6 134.5 56.2 78.6 -2.1 35 52 E V E -MN 29 88C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.914 12.6-149.8-118.5 144.8 55.8 82.3 -1.2 36 53 E V E +MN 28 87C 0 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.2 -0.952 29.5 144.6-117.7 142.5 52.5 84.2 -1.3 37 54 E S E - N 0 86C 0 49,-2.5 49,-2.4 -2,-0.4 2,-0.3 -0.748 51.5 -61.7-150.5-170.3 52.3 87.9 -2.1 38 55 E A > - 0 0 0 -12,-0.3 3,-1.6 47,-0.3 47,-0.3 -0.680 35.6-131.1 -83.2 139.5 50.0 90.5 -3.9 39 56 E A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.824 105.9 64.8 -62.7 -30.5 49.3 90.1 -7.5 40 57 E H G 3 S+ 0 0 16 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.642 91.5 67.3 -72.2 -8.2 50.0 93.8 -8.1 41 58 E b G < S+ 0 0 0 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.335 76.9 136.8 -83.9 5.9 53.6 93.0 -7.1 42 59 E Y < + 0 0 107 -3,-1.8 2,-0.3 2,-0.0 -3,-0.1 -0.291 20.0 159.6 -61.3 137.6 54.0 90.9 -10.2 43 60 E K - 0 0 73 -2,-0.0 3,-0.1 1,-0.0 -2,-0.0 -0.948 46.4-120.9-144.6 157.2 57.1 91.1 -12.2 44 61 E S S S+ 0 0 98 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.646 101.6 35.2 -78.2 -15.5 58.4 88.5 -14.7 45 62 E R S S+ 0 0 121 2,-0.0 2,-0.4 21,-0.0 -1,-0.2 -0.992 71.7 169.8-136.0 133.1 61.7 88.0 -12.8 46 63 E I - 0 0 2 -2,-0.4 21,-2.4 21,-0.2 2,-0.6 -0.994 25.2-149.3-144.8 134.0 62.0 88.2 -9.0 47 64 E Q E -LO 19 66C 47 -28,-3.1 -28,-2.7 -2,-0.4 2,-0.5 -0.907 21.3-147.0 -99.0 124.2 64.7 87.4 -6.5 48 65 E V E -LO 18 65C 0 17,-2.7 17,-2.8 -2,-0.6 2,-0.6 -0.827 9.0-158.7 -93.1 127.2 63.2 86.2 -3.2 49 66 E R E -LO 17 64C 54 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.933 13.0-178.4-112.9 114.8 65.2 87.2 -0.2 50 67 E L E +LO 16 63C 2 13,-2.9 13,-2.1 -2,-0.6 -34,-0.1 -0.690 61.0 31.7-102.9 159.3 64.6 85.2 3.0 51 69 E G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.712 84.4 155.8 71.8 19.9 66.2 85.6 6.4 52 70 E E + 0 0 9 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.556 20.5 148.1 -85.4 149.1 66.4 89.3 6.0 53 71 E H S S+ 0 0 16 1,-0.3 82,-1.1 4,-0.2 2,-0.8 0.410 77.7 36.3-133.0 -64.6 66.6 92.0 8.7 54 72 E N B > S-Q 134 0D 25 3,-0.3 3,-1.0 80,-0.2 -1,-0.3 -0.850 70.4-164.2 -92.4 108.2 68.7 94.8 7.4 55 73 E I T 3 S+ 0 0 32 78,-2.7 -1,-0.1 -2,-0.8 79,-0.1 0.638 85.3 50.6 -75.6 -9.8 67.9 95.0 3.7 56 74 E D T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.575 108.6 51.2 -97.3 -15.5 70.9 97.1 2.9 57 75 E V S < S- 0 0 72 -3,-1.0 2,-0.4 76,-0.2 -3,-0.3 -0.985 76.9-127.9-129.0 126.8 73.6 95.0 4.6 58 76 E L + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.607 29.1 174.7 -72.6 125.7 74.4 91.3 4.3 59 77 E E - 0 0 107 -2,-0.4 -1,-0.2 -5,-0.1 -7,-0.0 0.533 50.7 -99.3-113.0 -12.7 74.4 89.9 7.9 60 78 E G S S+ 0 0 64 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.214 103.2 76.7 124.7 -20.1 74.9 86.2 7.2 61 79 E N + 0 0 53 -10,-0.3 -9,-0.1 2,-0.0 2,-0.1 0.315 66.1 116.7-104.8 1.8 71.5 84.5 7.5 62 80 E E - 0 0 27 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.327 46.3-158.6 -72.2 152.0 70.0 85.5 4.2 63 81 E Q E -O 50 0C 34 -13,-2.1 -13,-2.9 -2,-0.1 2,-0.6 -0.999 4.3-159.4-126.9 131.6 69.0 83.1 1.4 64 82 E F E +O 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.957 20.3 168.6-112.6 112.2 68.7 84.5 -2.1 65 83 E I E -O 48 0C 15 -17,-2.8 -17,-2.7 -2,-0.6 2,-0.1 -0.987 27.8-131.2-132.0 127.8 66.5 82.3 -4.3 66 84 E N E -O 47 0C 74 -2,-0.4 25,-2.6 -19,-0.2 2,-0.4 -0.391 28.4-107.6 -78.1 151.3 65.2 83.2 -7.7 67 85 E A E -P 90 0C 22 -21,-2.4 23,-0.2 23,-0.2 -21,-0.2 -0.621 27.8-174.5 -75.8 128.7 61.6 82.6 -8.6 68 86 E A E S+ 0 0 63 21,-3.0 2,-0.4 -2,-0.4 22,-0.2 0.830 74.8 16.5 -91.9 -35.3 60.9 79.7 -10.9 69 87 E K E -P 89 0C 87 20,-1.5 20,-3.0 2,-0.0 2,-0.5 -0.996 61.3-167.0-141.6 136.5 57.2 80.3 -11.4 70 88 E I E -P 88 0C 22 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.991 12.3-177.2-128.7 117.7 55.1 83.4 -10.7 71 89 E I E -P 87 0C 32 16,-3.0 16,-2.6 -2,-0.5 2,-0.2 -0.953 8.2-162.6-126.1 111.3 51.3 82.9 -10.7 72 90 E T E -P 86 0C 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.588 42.3 -87.6 -88.2 153.9 48.8 85.6 -10.2 73 91 E H > - 0 0 21 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.345 38.9-129.2 -54.2 133.4 45.2 84.9 -9.3 74 92 E P T 3 S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.756 105.4 45.7 -68.9 -17.9 43.4 84.4 -12.7 75 93 E N T 3 S+ 0 0 108 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.173 78.5 139.0-109.9 21.7 40.7 86.9 -11.8 76 94 E F < - 0 0 56 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.376 38.7-156.3 -54.8 139.5 42.9 89.5 -10.4 77 95 E N > - 0 0 70 5,-1.9 4,-2.4 1,-0.1 5,-0.5 -0.970 9.7-158.2-127.1 117.4 41.7 93.0 -11.5 78 96 E G T 4 S+ 0 0 45 -2,-0.5 163,-0.1 1,-0.2 -1,-0.1 0.655 91.3 50.1 -71.8 -15.6 44.3 95.8 -11.5 79 97 E N T 4 S+ 0 0 137 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.911 123.6 25.5 -90.6 -46.1 41.7 98.5 -11.3 80 98 E T T 4 S- 0 0 67 2,-0.1 -2,-0.2 1,-0.0 77,-0.1 0.673 94.6-135.1 -87.0 -15.1 39.6 97.2 -8.4 81 99 E L >< + 0 0 13 -4,-2.4 3,-0.7 1,-0.2 2,-0.2 0.663 48.3 157.2 63.8 20.3 42.5 95.2 -6.8 82 100 E D T 3 + 0 0 34 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.2 -0.529 63.8 17.2 -69.0 138.6 40.0 92.3 -6.2 83 101 E N T 3 S+ 0 0 22 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.908 79.1 176.1 59.3 47.5 41.7 88.9 -5.9 84 102 E D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.493 32.5 117.2 -88.5 74.1 45.1 90.6 -5.1 85 103 E I - 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.999 36.9-178.8-144.9 143.5 47.0 87.4 -4.5 86 104 E M E -NP 37 72C 0 -49,-2.4 -49,-2.5 -2,-0.3 2,-0.4 -0.996 15.1-145.4-144.7 140.3 50.0 85.8 -6.2 87 105 E L E -NP 36 71C 0 -16,-2.6 -16,-3.0 -2,-0.3 2,-0.4 -0.890 10.2-163.0-106.6 140.8 52.0 82.6 -5.6 88 106 E I E -NP 35 70C 0 -53,-2.7 -53,-2.4 -2,-0.4 2,-0.6 -0.989 7.0-153.0-121.8 124.6 55.7 82.2 -6.3 89 107 E K E -NP 34 69C 51 -20,-3.0 -21,-3.0 -2,-0.4 -20,-1.5 -0.886 21.5-133.3 -94.0 122.9 57.4 78.9 -6.6 90 108 E L E - P 0 67C 0 -57,-2.7 -23,-0.2 -2,-0.6 -24,-0.1 -0.463 13.6-123.4 -75.8 151.4 61.1 79.1 -5.6 91 109 E S S S+ 0 0 69 -25,-2.6 -1,-0.1 -2,-0.1 -24,-0.1 0.820 97.9 8.3 -67.0 -28.4 63.7 77.5 -7.9 92 110 E S S S- 0 0 58 -26,-0.3 -1,-0.1 -60,-0.1 -24,-0.1 -0.981 96.6 -90.1-141.0 157.7 64.9 75.4 -5.0 93 111 E P - 0 0 68 0, 0.0 -60,-0.2 0, 0.0 -61,-0.1 -0.360 43.2-114.1 -66.7 143.9 63.4 74.9 -1.5 94 112 E A - 0 0 8 -62,-3.1 2,-0.7 -63,-0.1 -31,-0.0 -0.418 28.1-112.4 -66.6 151.5 64.6 77.3 1.2 95 113 E T - 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