==== 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 COMPLEX(PROTEINASE/INHIBITOR) 17-DEC-92 1BRB . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.J.PERONA,R.J.FLETTERICK . 274 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1.1 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 . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 0 0 1 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 . 5 2 1 6 2 1 1 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 1 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 2,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 119.1 -19.0 -84.7 -1.7 2 17 E V B +A 171 0A 14 169,-3.1 169,-1.9 1,-0.2 123,-0.1 -0.831 360.0 8.2 -99.3 129.9 -22.5 -84.2 -0.3 3 18 E G S S+ 0 0 37 121,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.737 100.5 117.1 75.7 25.9 -22.8 -81.8 2.7 4 19 E G - 0 0 28 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 -0.234 58.6-112.5-106.8-160.6 -19.3 -80.4 2.6 5 20 E Y E -B 137 0B 103 132,-2.4 132,-2.9 -2,-0.1 2,-0.2 -0.914 36.4 -87.5-137.0 156.7 -17.9 -76.9 2.0 6 21 E T E -B 136 0B 71 -2,-0.3 130,-0.3 130,-0.2 2,-0.2 -0.479 49.5-120.4 -65.5 130.2 -15.7 -75.3 -0.8 7 22 E a - 0 0 2 128,-2.8 3,-0.1 -2,-0.2 128,-0.1 -0.482 32.1-100.3 -71.0 145.7 -12.1 -75.9 0.1 8 23 E Q > - 0 0 158 -2,-0.2 3,-2.6 1,-0.2 4,-0.3 -0.423 61.9 -73.2 -65.7 143.4 -10.1 -72.8 0.5 9 24 E E T 3 S- 0 0 110 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.156 112.2 -15.5 -53.5 121.1 -8.1 -72.1 -2.7 10 25 E N T 3 S+ 0 0 23 42,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.607 87.9 132.4 43.3 41.9 -5.4 -74.6 -2.8 11 26 E S S < S+ 0 0 59 -3,-2.6 -1,-0.1 1,-0.2 -2,-0.1 0.469 77.5 53.4 -79.4 -7.3 -5.6 -75.6 0.8 12 27 E V > + 0 0 4 -4,-0.3 3,-1.6 1,-0.1 -1,-0.2 -0.584 67.6 163.9-126.4 69.6 -5.4 -79.2 -0.6 13 28 E P T 3 S+ 0 0 29 0, 0.0 88,-1.9 0, 0.0 38,-0.2 0.588 70.1 59.0 -74.6 -8.8 -2.3 -79.1 -2.8 14 29 E Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.466 79.7 108.1 -92.4 -8.8 -1.9 -82.8 -3.1 15 30 E Q E < -K 28 0C 6 -3,-1.6 36,-0.6 13,-0.2 37,-0.4 -0.564 48.3-175.9 -69.5 134.6 -5.4 -83.3 -4.7 16 31 E V E -KL 27 50C 1 11,-2.0 11,-0.8 -2,-0.2 2,-0.4 -0.897 21.2-133.6-126.6 159.9 -5.3 -84.2 -8.5 17 32 E S E -KL 26 49C 0 32,-2.4 32,-2.6 -2,-0.3 2,-0.6 -0.933 14.3-144.0-105.6 141.1 -8.0 -84.7 -11.1 18 33 E L E -KL 25 48C 0 7,-2.9 6,-2.2 -2,-0.4 7,-1.0 -0.913 27.0-175.9-105.1 125.0 -7.8 -87.8 -13.4 19 34 E N E +KL 23 47C 11 28,-2.8 28,-2.6 -2,-0.6 4,-0.2 -0.977 33.3 164.5-132.8 135.5 -9.0 -86.8 -16.8 20 37 E S S S- 0 0 58 2,-1.6 3,-0.1 -2,-0.4 -1,-0.1 -0.030 97.6 -40.7-130.0 24.5 -9.6 -88.7 -19.9 21 38 E G S S+ 0 0 67 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 -0.164 139.6 22.3 136.3 -38.0 -11.8 -86.0 -21.7 22 39 E Y S S- 0 0 73 -4,-0.1 -2,-1.6 0, 0.0 2,-0.4 -0.926 101.6 -82.9-145.0 164.3 -13.7 -85.1 -18.6 23 40 E H E +K 19 0C 22 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.608 51.5 159.4 -72.0 128.1 -12.9 -85.6 -14.8 24 41 E F E + 0 0 1 -6,-2.2 213,-2.2 1,-0.4 151,-0.3 0.561 59.8 3.9-123.0 -18.4 -13.8 -89.1 -13.7 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-2.9 211,-0.2 -1,-0.4 -0.975 60.9-131.0-160.5 159.4 -11.8 -89.7 -10.5 26 43 E G E +K 17 0C 2 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.352 23.6 176.0 -99.8-168.0 -9.4 -88.0 -8.0 27 44 E G E -K 16 0C 0 -11,-0.8 -11,-2.0 -2,-0.1 2,-0.4 -0.953 25.3-105.7 179.2 177.8 -6.1 -89.1 -6.6 28 45 E S E -KM 15 36C 0 8,-2.6 8,-2.5 -2,-0.3 2,-0.6 -0.977 19.6-128.4-128.9 139.4 -3.2 -87.9 -4.4 29 46 E L E + M 0 35C 0 -15,-2.2 74,-1.7 -2,-0.4 6,-0.2 -0.716 27.7 173.6 -81.7 118.2 0.3 -86.8 -5.3 30 47 E I E - 0 0 17 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.627 68.8 -8.9-102.9 -17.2 2.7 -88.8 -3.1 31 48 E N E > S- M 0 34C 47 3,-1.3 3,-1.6 70,-0.1 -1,-0.4 -0.930 90.1 -79.9-163.9 168.7 6.0 -87.6 -4.6 32 49 E D T 3 S+ 0 0 70 -2,-0.3 62,-2.6 1,-0.3 60,-0.1 0.603 127.3 30.7 -55.7 -11.8 6.9 -85.5 -7.7 33 50 E Q T 3 S+ 0 0 52 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.403 110.4 66.1-125.6 2.8 6.5 -88.4 -10.1 34 51 E W E < -MN 31 89C 8 -3,-1.6 -4,-2.0 55,-0.2 -3,-1.3 -0.977 49.0-170.1-138.0 142.6 3.8 -90.7 -8.6 35 52 E V E -MN 29 88C 0 53,-2.3 53,-2.8 -2,-0.4 2,-0.4 -0.958 12.9-148.8-124.6 139.6 0.0 -90.5 -7.9 36 53 E V E +MN 28 87C 0 -8,-2.5 -8,-2.6 -2,-0.4 2,-0.2 -0.891 31.7 146.2-108.9 142.2 -2.0 -93.0 -5.8 37 54 E S E - N 0 86C 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.4 -0.820 51.0 -64.1-152.4-167.1 -5.7 -93.5 -6.7 38 55 E A > - 0 0 0 -12,-0.4 3,-2.2 47,-0.3 47,-0.2 -0.734 34.6-131.8 -95.2 139.8 -8.3 -96.4 -6.7 39 56 E A G > S+ 0 0 1 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.817 105.9 64.4 -61.1 -28.1 -7.9 -99.4 -9.0 40 57 E H G 3 S+ 0 0 16 1,-0.3 -1,-0.3 41,-0.1 196,-0.1 0.603 90.8 67.7 -73.9 -2.8 -11.5 -99.1 -10.2 41 58 E b G < S+ 0 0 1 -3,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.361 75.3 138.5 -91.6 6.3 -10.5 -95.7 -11.7 42 59 E Y < + 0 0 108 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.236 19.3 160.6 -54.0 135.6 -8.3 -97.5 -14.2 43 60 E K - 0 0 43 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.917 45.2-124.0-145.1 154.6 -8.3 -96.3 -17.9 44 61 E S S S+ 0 0 91 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.779 102.3 38.2 -77.0 -24.8 -5.6 -97.1 -20.4 45 62 E R S S+ 0 0 197 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.994 73.0 166.7-124.7 120.8 -5.0 -93.4 -21.1 46 63 E I - 0 0 7 -2,-0.4 21,-2.6 21,-0.3 2,-0.4 -0.997 21.7-158.3-134.9 139.6 -5.1 -90.9 -18.2 47 64 E Q E -LO 19 66C 43 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.4 -0.968 18.3-144.7-111.7 133.2 -4.0 -87.2 -18.0 48 66 E V E -LO 18 65C 0 17,-3.3 17,-2.6 -2,-0.4 2,-0.5 -0.858 8.0-157.2-100.4 130.9 -3.4 -86.0 -14.4 49 67 E R E -LO 17 64C 51 -32,-2.6 -32,-2.4 -2,-0.4 2,-0.3 -0.965 13.5-174.9-116.5 118.4 -4.3 -82.4 -13.6 50 68 E L E +LO 16 63C 3 13,-2.9 13,-2.2 -2,-0.5 -34,-0.1 -0.866 60.8 32.4-112.9 147.8 -2.5 -80.9 -10.6 51 69 E G S S+ 0 0 1 -36,-0.6 2,-0.3 -2,-0.3 10,-0.2 0.764 81.0 154.8 79.4 26.1 -3.0 -77.4 -9.0 52 70 E E + 0 0 9 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.631 20.9 153.4 -87.4 141.5 -6.7 -77.3 -9.8 53 71 E H S S+ 0 0 19 -2,-0.3 82,-1.3 4,-0.2 2,-0.8 0.518 81.5 33.3-121.9 -55.3 -9.3 -75.4 -7.9 54 72 E N B > S-Q 134 0D 23 3,-0.2 3,-1.5 80,-0.2 80,-0.2 -0.882 70.9-163.1-107.0 110.9 -11.9 -74.8 -10.6 55 73 E I T 3 S+ 0 0 22 78,-2.1 -1,-0.1 -2,-0.8 79,-0.1 0.625 84.9 49.9 -67.8 -16.9 -12.0 -77.8 -12.8 56 74 E N T 3 S+ 0 0 110 77,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.321 103.0 60.4-107.2 6.1 -13.8 -76.0 -15.6 57 75 E V S < S- 0 0 81 -3,-1.5 2,-0.7 76,-0.2 -4,-0.2 -1.000 81.0-123.3-134.1 134.8 -11.8 -72.8 -16.0 58 76 E L + 0 0 142 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.722 33.3 175.8 -76.7 114.7 -8.1 -72.5 -17.0 59 77 E E - 0 0 67 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.654 44.1-118.0 -95.0 -19.9 -6.8 -70.5 -13.9 60 78 E G S S+ 0 0 63 -3,-0.1 -2,-0.1 3,-0.0 0, 0.0 0.473 95.7 88.7 94.4 3.1 -3.1 -70.6 -15.0 61 79 E N + 0 0 51 -10,-0.2 38,-0.1 2,-0.0 2,-0.1 0.449 64.8 105.1-104.7 -5.3 -1.9 -72.5 -11.9 62 80 E E - 0 0 26 -13,-0.0 2,-0.4 38,-0.0 -11,-0.2 -0.367 52.1-157.6 -85.7 153.7 -2.4 -76.0 -13.2 63 81 E Q E -O 50 0C 38 -13,-2.2 -13,-2.9 -2,-0.1 2,-0.5 -0.981 9.7-159.3-124.4 135.9 0.1 -78.6 -14.5 64 82 E F E +O 49 0C 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.993 17.4 172.9-120.6 120.8 -1.3 -81.3 -16.9 65 83 E V E -O 48 0C 13 -17,-2.6 -17,-3.3 -2,-0.5 2,-0.1 -0.998 27.3-127.0-134.5 133.8 0.8 -84.4 -17.1 66 84 E N E -O 47 0C 93 -2,-0.4 25,-2.4 -19,-0.3 2,-0.5 -0.506 29.9-109.1 -80.2 149.8 0.1 -87.7 -18.9 67 85 E A E -P 90 0C 21 -21,-2.6 -21,-0.3 23,-0.2 23,-0.3 -0.724 29.5-174.1 -77.9 120.7 0.3 -91.0 -17.0 68 86 E A E S+ 0 0 61 21,-2.8 2,-0.3 -2,-0.5 22,-0.2 0.851 73.9 13.3 -82.6 -39.4 3.4 -93.0 -18.3 69 87 E K E -P 89 0C 77 20,-1.6 20,-3.1 2,-0.0 2,-0.4 -0.998 61.9-165.9-137.0 140.6 2.7 -96.2 -16.2 70 88 E I E -P 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.998 11.9-174.2-128.3 122.5 -0.5 -97.3 -14.4 71 89 E I E -P 87 0C 44 16,-2.8 16,-2.7 -2,-0.4 2,-0.2 -0.948 7.2-159.3-126.1 109.4 -0.1 -100.2 -11.9 72 90 E K E -P 86 0C 53 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.525 39.6 -88.8 -80.1 152.3 -3.0 -101.7 -10.2 73 91 E H > - 0 0 19 12,-2.4 3,-2.0 10,-0.3 -1,-0.1 -0.391 39.1-125.3 -56.0 137.4 -2.5 -103.7 -7.0 74 92 E P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.778 106.4 47.0 -64.8 -17.3 -2.0 -107.3 -8.1 75 93 E N T 3 S+ 0 0 108 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.033 75.5 143.7-113.3 22.3 -4.8 -108.6 -5.9 76 94 E F < - 0 0 35 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.505 37.6-152.2 -64.2 132.0 -7.5 -106.1 -6.8 77 95 E D > - 0 0 66 5,-1.8 4,-1.9 -2,-0.2 5,-0.3 -0.963 6.0-155.9-109.0 120.3 -10.9 -107.8 -6.9 78 96 E R T 4 S+ 0 0 164 -2,-0.5 181,-0.6 1,-0.2 -1,-0.1 0.646 91.7 41.0 -66.9 -22.5 -13.4 -106.1 -9.3 79 97 E K T 4 S+ 0 0 43 179,-0.1 -1,-0.2 3,-0.1 179,-0.0 0.803 124.3 29.8 -99.9 -35.5 -16.4 -107.5 -7.4 80 98 E T T 4 S- 0 0 67 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.602 94.1-134.2 -97.0 -16.7 -15.5 -107.2 -3.7 81 99 E L >< + 0 0 5 -4,-1.9 3,-0.9 1,-0.3 2,-0.2 0.674 46.1 160.4 69.1 23.7 -13.3 -104.1 -4.2 82 100 E N T 3 + 0 0 37 -5,-0.3 -5,-1.8 1,-0.3 -1,-0.3 -0.558 65.9 12.6 -72.9 133.4 -10.7 -105.6 -1.9 83 101 E N T 3 S+ 0 0 17 -2,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.877 78.2 175.3 65.5 45.8 -7.3 -104.0 -2.5 84 102 E D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.552 31.2 117.9 -88.0 81.4 -8.7 -101.1 -4.5 85 103 E I - 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