==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-MAR-99 3BTF . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.HELLAND,J.OTLEWSKI,O.SUNDHEIM,M.DADLEZ,A.O.SMALAS . 279 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 59.9 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 . 79 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 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 2 2 5 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 119.7 19.9 65.6 13.4 2 17 E V B +A 171 0A 7 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.827 360.0 6.6 -97.2 130.2 23.7 66.1 13.1 3 18 E G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.704 101.0 121.1 74.0 24.6 25.9 63.0 13.2 4 19 E G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.146 55.0-114.9-102.7-161.6 23.1 60.5 13.2 5 20 E Y E -B 137 0B 102 132,-2.6 132,-3.5 -3,-0.1 2,-0.4 -0.934 35.0 -86.5-137.1 159.8 22.0 57.6 10.9 6 21 E T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.518 35.1-150.5 -68.0 121.2 19.1 56.8 8.7 7 22 E a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.881 36.5-115.0 -60.9 -43.5 16.5 55.1 10.9 8 23 E G > - 0 0 26 127,-0.5 3,-1.7 4,-0.0 4,-0.3 -0.011 49.5 -50.0 111.0 140.5 15.0 52.9 8.3 9 24 E A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.179 118.7 -16.6 -50.1 119.6 11.4 53.2 6.9 10 25 E N T 3 S+ 0 0 39 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.768 90.2 129.0 55.7 34.0 8.8 53.3 9.7 11 26 E T S < S+ 0 0 84 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.538 75.8 49.4 -89.6 -9.3 11.1 52.0 12.4 12 27 E V S > S+ 0 0 8 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.666 74.3 173.1-126.2 72.1 10.1 55.0 14.6 13 28 E P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.591 71.6 57.7 -59.0 -16.6 6.3 54.6 14.2 14 29 E Y T 3 S+ 0 0 21 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.470 80.4 107.9 -94.4 -5.5 5.4 57.3 16.7 15 30 E Q E < -K 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.588 48.8-175.3 -75.6 129.7 7.3 60.0 14.9 16 31 E V E -K 27 0C 2 11,-2.5 11,-1.0 -2,-0.3 2,-0.4 -0.865 20.0-135.8-122.9 159.9 5.1 62.6 13.2 17 32 E S E -KL 26 49C 2 32,-2.1 32,-2.9 -2,-0.3 2,-0.6 -0.954 12.5-143.6-113.6 132.7 5.8 65.6 11.0 18 33 E L E -KL 25 48C 0 7,-3.2 6,-2.3 -2,-0.4 7,-1.0 -0.894 25.6-167.7 -94.9 124.0 4.0 68.9 11.6 19 34 E N E +KL 23 47C 17 28,-2.9 28,-2.5 -2,-0.6 4,-0.2 -0.945 30.6 166.9-122.0 132.3 3.4 70.5 8.2 20 37 E S S S- 0 0 31 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.300 96.8 -46.2-131.7 46.1 2.2 74.0 7.3 21 38 E G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.248 140.0 23.5 105.1 -10.2 3.0 73.8 3.6 22 39 E Y S S- 0 0 53 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.916 104.2 -75.7-172.6 159.9 6.4 72.3 4.5 23 40 E H E +K 19 0C 8 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.572 52.9 157.1 -68.6 124.6 7.9 70.4 7.5 24 41 E F E + 0 0 0 -6,-2.3 215,-2.4 1,-0.4 2,-0.3 0.564 61.1 2.2-124.5 -16.1 8.5 72.8 10.3 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-3.2 213,-0.2 -1,-0.4 -0.977 61.7-125.7-163.2 164.1 8.6 70.6 13.5 26 43 E G E -K 17 0C 1 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.418 24.6-180.0-105.2-175.4 8.3 67.0 14.7 27 44 E G E -K 16 0C 0 -11,-1.0 -11,-2.5 -2,-0.2 2,-0.4 -0.958 23.5-114.9-174.2 169.2 6.0 65.5 17.3 28 45 E S E -KM 15 36C 2 8,-2.6 8,-3.0 -2,-0.3 2,-0.6 -0.977 20.4-130.1-124.9 137.5 5.1 62.2 19.0 29 46 E L E + M 0 35C 1 -15,-2.1 74,-2.2 -2,-0.4 6,-0.2 -0.761 27.0 173.3 -84.7 117.6 1.9 60.2 18.8 30 47 E I E - 0 0 23 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.593 69.2 -6.7-101.1 -15.3 0.7 59.3 22.3 31 48 E N E > S- M 0 34C 59 3,-1.3 3,-2.3 70,-0.1 -1,-0.4 -0.927 90.2 -78.8-176.1 171.0 -2.7 57.9 21.3 32 49 E S T 3 S+ 0 0 44 1,-0.3 62,-3.1 -2,-0.3 60,-0.1 0.605 128.5 26.5 -67.8 -12.0 -4.8 57.6 18.1 33 50 E Q T 3 S+ 0 0 59 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.379 110.6 72.0-128.2 4.4 -6.0 61.1 18.4 34 51 E W E < -MN 31 89C 10 -3,-2.3 -4,-2.1 55,-0.2 -3,-1.3 -0.975 48.1-172.6-132.8 141.3 -3.3 63.1 20.3 35 52 E V E -MN 29 88C 0 53,-2.3 53,-2.8 -2,-0.4 2,-0.4 -0.954 13.8-146.4-126.1 140.4 0.3 64.3 19.5 36 53 E V E +MN 28 87C 1 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.2 -0.903 33.1 144.8-107.9 138.6 2.8 65.9 21.8 37 54 E S E - N 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.782 50.2 -63.5-149.9-166.6 5.2 68.5 20.5 38 55 E A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.2 47,-0.3 -0.678 33.5-130.5 -93.1 147.7 7.0 71.7 21.7 39 56 E A G > S+ 0 0 4 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.836 107.8 62.0 -64.1 -31.8 5.1 74.9 22.6 40 57 E H G 3 S+ 0 0 10 1,-0.3 -1,-0.3 41,-0.1 198,-0.1 0.593 92.9 66.7 -72.3 -6.4 7.3 77.0 20.3 41 58 E b G < S+ 0 0 0 -3,-1.5 -1,-0.3 2,-0.0 2,-0.2 0.284 72.1 132.3 -90.2 5.1 6.0 74.9 17.4 42 59 E Y < + 0 0 129 -3,-1.7 2,-0.3 217,-0.1 -3,-0.0 -0.444 25.8 148.8 -62.0 132.5 2.5 76.4 17.8 43 60 E K - 0 0 49 -2,-0.2 3,-0.5 0, 0.0 2,-0.2 -0.977 45.6-108.6-159.5 155.2 1.1 77.5 14.5 44 61 E S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.540 96.9 30.0 -87.5 157.5 -2.3 77.9 12.9 45 62 E G S S+ 0 0 72 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.798 78.4 176.2 66.8 34.8 -3.3 75.5 10.1 46 63 E I - 0 0 7 -3,-0.5 21,-2.2 -26,-0.1 2,-0.5 -0.516 15.7-165.7 -76.3 131.5 -1.2 72.5 11.2 47 64 E Q E -LO 19 66C 50 -28,-2.5 -28,-2.9 -2,-0.3 2,-0.5 -0.974 14.3-143.6-113.7 126.9 -1.5 69.3 9.2 48 65 E V E -LO 18 65C 0 17,-3.2 17,-2.9 -2,-0.5 2,-0.6 -0.797 9.9-156.6 -93.6 130.6 -0.1 66.2 11.0 49 66 E R E -LO 17 64C 48 -32,-2.9 -32,-2.1 -2,-0.5 3,-0.3 -0.942 13.3-176.6-114.1 117.1 1.7 63.7 8.8 50 67 E L E + O 0 63C 2 13,-2.9 13,-1.6 -2,-0.6 -34,-0.1 -0.700 61.0 30.6-108.1 159.7 2.0 60.1 10.1 51 69 E G S S+ 0 0 6 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.709 84.2 156.1 66.5 23.6 3.6 57.0 8.7 52 70 E E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.541 21.1 149.0 -85.8 142.6 6.3 59.2 7.0 53 71 E D S S+ 0 0 16 1,-0.3 2,-0.9 4,-0.2 82,-0.2 0.339 80.7 33.2-126.1 -74.7 9.8 58.2 6.0 54 72 E N S > S- 0 0 26 80,-0.2 3,-1.0 1,-0.2 -1,-0.3 -0.749 73.5-163.2 -84.4 108.9 10.7 60.3 2.9 55 73 E I T 3 S+ 0 0 27 78,-2.5 -1,-0.2 -2,-0.9 79,-0.1 0.553 82.4 57.0 -71.3 -6.6 8.8 63.5 3.7 56 74 E N T 3 S+ 0 0 108 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.556 104.8 46.2-100.5 -13.5 9.1 64.7 0.0 57 75 E V S < S- 0 0 74 -3,-1.0 2,-0.8 76,-0.2 -4,-0.2 -0.991 81.7-115.5-134.1 144.9 7.4 61.8 -1.8 58 76 E V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.668 34.0 173.3 -78.5 110.6 4.2 59.9 -1.2 59 77 E E - 0 0 90 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.403 50.0-107.1 -98.0 -4.1 5.3 56.3 -0.4 60 78 E G S S+ 0 0 63 1,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.272 100.8 84.1 99.2 -10.5 1.9 54.9 0.5 61 79 E N + 0 0 84 -10,-0.2 -9,-0.1 38,-0.0 -3,-0.0 0.433 66.9 116.0-104.7 2.1 2.0 54.5 4.3 62 80 E E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.252 43.3-168.8 -75.0 156.4 1.1 58.1 5.1 63 81 E Q E -O 50 0C 49 -13,-1.6 -13,-2.9 2,-0.1 2,-0.6 -0.962 8.8-162.6-142.1 114.4 -1.9 59.5 6.9 64 82 E F E +O 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.946 17.8 171.6-102.5 119.1 -2.3 63.3 6.7 65 83 E I E -O 48 0C 16 -17,-2.9 -17,-3.2 -2,-0.6 2,-0.1 -0.996 27.6-128.7-134.6 129.1 -4.7 64.6 9.4 66 84 E S E -O 47 0C 59 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.372 28.3-111.4 -71.5 152.5 -5.4 68.2 10.3 67 85 E A E -P 90 0C 25 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.648 23.5-169.7 -83.2 139.9 -5.2 69.3 13.9 68 86 E S E S+ 0 0 58 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.736 74.5 13.2 -97.2 -33.3 -8.6 70.2 15.5 69 87 E K E -P 89 0C 83 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.996 57.3-160.8-143.2 148.7 -7.0 71.8 18.6 70 88 E S E -P 88 0C 40 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.977 12.8-169.1-132.0 111.3 -3.6 72.9 19.8 71 89 E I E -P 87 0C 39 16,-3.6 16,-2.8 -2,-0.4 2,-0.3 -0.909 2.7-164.0-110.7 108.6 -3.1 73.3 23.5 72 90 E V E -P 86 0C 44 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.631 41.4 -88.9 -85.8 142.3 0.1 75.0 24.7 73 91 E H > - 0 0 22 12,-2.4 3,-2.2 10,-0.3 -1,-0.1 -0.298 35.4-127.1 -53.0 132.2 1.0 74.5 28.3 74 92 E P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.743 108.2 44.8 -55.7 -23.4 -0.7 77.3 30.4 75 93 E S T 3 S+ 0 0 71 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.204 77.2 140.3-107.7 15.9 2.6 78.3 31.9 76 94 E Y < - 0 0 52 -3,-2.2 2,-0.6 7,-0.1 7,-0.2 -0.381 38.9-154.5 -59.4 132.8 4.8 78.2 28.8 77 95 E N > - 0 0 61 5,-2.2 4,-2.1 1,-0.1 5,-0.3 -0.955 9.2-161.8-115.6 113.2 7.2 81.1 28.9 78 96 E S T 4 S+ 0 0 68 -2,-0.6 183,-0.4 1,-0.2 -1,-0.1 0.642 90.0 49.1 -68.7 -15.8 8.4 82.3 25.5 79 97 E N T 4 S+ 0 0 113 181,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.916 123.4 25.4 -88.0 -51.7 11.4 84.1 27.1 80 98 E T T 4 S- 0 0 61 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.584 96.5-132.6 -87.3 -15.4 12.8 81.4 29.4 81 99 E L >< + 0 0 2 -4,-2.1 3,-0.8 1,-0.2 -3,-0.1 0.589 50.7 155.6 71.6 14.8 11.4 78.5 27.3 82 100 E N T 3 + 0 0 35 -5,-0.3 -5,-2.2 1,-0.2 -1,-0.2 -0.473 62.3 19.3 -73.5 140.6 10.2 76.9 30.5 83 101 E N T 3 S+ 0 0 19 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.850 76.4 175.8 67.6 40.1 7.2 74.5 30.1 84 102 E D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.488 33.5 116.6 -78.6 75.4 7.9 74.1 26.3 85 103 E I + 0 0 0 -2,-2.2 -12,-2.4 -47,-0.3 2,-0.3 -0.996 36.6 179.3-146.2 144.9 5.2 71.5 25.7 86 104 E M E -NP 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.994 16.9-144.7-148.1 146.5 2.0 71.4 23.6 87 105 E L E -NP 36 71C 0 -16,-2.8 -16,-3.6 -2,-0.3 2,-0.5 -0.930 12.2-161.9-114.5 134.9 -0.7 68.9 22.8 88 106 E I E -NP 35 70C 0 -53,-2.8 -53,-2.3 -2,-0.4 2,-0.4 -0.979 7.3-149.8-120.6 125.2 -2.4 68.6 19.4 89 107 E K E -NP 34 69C 39 -20,-2.7 -21,-3.1 -2,-0.5 -20,-1.2 -0.805 19.3-129.3 -94.1 132.8 -5.7 66.9 18.9 90 108 E L E - 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