==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 21-OCT-87 1TRM . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR S.SPRANG,T.STANDING,R.J.FLETTERICK . 446 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1 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 . 2 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 . 8 5 3 10 4 2 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 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 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 A I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 113.9 8.3 32.7 87.7 2 17 A V B +A 171 0A 8 169,-2.6 169,-1.9 1,-0.2 123,-0.2 -0.766 360.0 2.4 -94.0 130.7 8.2 29.8 90.0 3 18 A G S S+ 0 0 44 121,-0.7 -1,-0.2 -2,-0.5 121,-0.1 0.645 101.8 109.7 72.9 18.5 11.5 27.9 90.1 4 19 A G - 0 0 26 -3,-0.3 2,-0.3 167,-0.2 134,-0.3 0.067 62.6-109.3-100.5-145.6 13.7 30.0 87.7 5 20 A Y E -B 137 0B 104 132,-2.7 132,-4.1 -3,-0.1 2,-0.3 -0.932 34.8 -81.4-142.4 169.4 16.6 32.3 88.7 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.3 2,-0.1 -0.564 52.1-121.5 -75.0 124.1 17.4 36.0 88.8 7 22 A a - 0 0 3 128,-3.1 2,-0.1 -2,-0.3 128,-0.1 -0.390 29.6-101.7 -66.3 145.2 18.2 37.2 85.4 8 23 A Q > - 0 0 163 1,-0.1 3,-2.0 -2,-0.1 4,-0.2 -0.486 62.9 -76.9 -66.7 137.6 21.6 38.8 84.9 9 24 A E T 3 S- 0 0 116 1,-0.3 -1,-0.1 -2,-0.1 44,-0.1 -0.028 109.2 -6.3 -47.0 128.8 21.1 42.5 84.9 10 25 A N T 3 S+ 0 0 29 42,-0.2 -1,-0.3 1,-0.1 43,-0.1 0.755 94.5 129.3 56.5 28.0 19.7 44.1 81.7 11 26 A S < + 0 0 53 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.297 68.5 47.4 -91.6 -2.2 20.1 40.6 80.0 12 27 A V S > S+ 0 0 7 -4,-0.2 3,-2.5 87,-0.1 -1,-0.2 -0.522 72.8 172.6-132.9 69.1 16.5 40.5 78.6 13 28 A P T 3 S+ 0 0 27 0, 0.0 88,-0.7 0, 0.0 38,-0.4 0.709 71.0 59.3 -52.5 -26.8 16.5 44.0 77.1 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-1.9 88,-0.2 2,-0.4 0.441 79.5 109.3 -88.0 -2.0 13.2 43.6 75.4 15 30 A Q E < -I 28 0C 4 -3,-2.5 36,-0.6 13,-0.2 37,-0.5 -0.614 47.1-174.5 -78.7 137.9 11.3 42.8 78.6 16 31 A V E -IJ 27 50C 0 11,-2.0 11,-1.3 -2,-0.4 2,-0.4 -0.853 20.0-138.6-125.0 159.0 8.9 45.6 79.7 17 32 A S E -IJ 26 49C 0 32,-1.7 32,-2.2 -2,-0.3 2,-0.7 -0.954 19.0-135.7-110.4 127.7 6.7 45.9 82.9 18 33 A L E -IJ 25 48C 0 7,-3.4 6,-2.2 -2,-0.4 7,-0.8 -0.890 27.2-157.5 -87.3 114.0 3.2 47.3 82.3 19 34 A N E +IJ 23 47C 19 28,-4.7 28,-3.3 -2,-0.7 4,-0.2 -0.826 33.6 155.5-103.7 131.8 2.6 49.9 85.0 20 37 A S S S- 0 0 46 2,-1.5 3,-0.1 -2,-0.4 -1,-0.1 0.024 94.6 -45.6-136.4 27.4 -0.8 51.1 86.4 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.229 138.8 12.3 124.1 -25.4 0.1 52.3 89.9 22 39 A Y S S- 0 0 139 -4,-0.1 -2,-1.5 0, 0.0 2,-0.1 -0.952 104.5 -71.3-162.1 162.1 2.1 49.1 90.3 23 40 A H E +I 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.325 52.0 157.0 -57.9 135.5 3.4 46.3 88.0 24 41 A F E + 0 0 31 -6,-2.2 151,-0.4 1,-0.6 2,-0.3 0.527 61.0 3.3-138.8 -16.7 0.6 44.1 86.7 25 42 A b E -I 18 0C 7 -7,-0.8 -7,-3.4 149,-0.1 -1,-0.6 -0.941 60.4-132.7-164.6 162.7 1.8 42.4 83.5 26 43 A G E +I 17 0C 2 151,-2.5 12,-0.4 150,-0.3 2,-0.3 -0.639 22.8 173.5-116.7 174.1 4.9 42.3 81.3 27 44 A G E -I 16 0C 0 -11,-1.3 -11,-2.0 -2,-0.2 2,-0.4 -0.823 25.1-108.0-158.7-168.3 5.3 42.6 77.5 28 45 A S E -IK 15 36C 1 8,-2.6 8,-3.7 -2,-0.3 2,-0.6 -0.990 19.3-118.7-148.1 142.7 8.0 42.8 75.0 29 46 A L E + K 0 35C 0 -15,-1.9 74,-2.0 -2,-0.4 6,-0.2 -0.683 28.9 171.4 -71.1 105.8 9.5 45.5 72.8 30 47 A I S S- 0 0 24 4,-1.7 2,-0.2 -2,-0.6 5,-0.2 0.698 71.0 -14.0 -93.7 -23.5 9.1 44.7 69.0 31 48 A N S S- 0 0 57 3,-1.2 3,-0.5 70,-0.1 -1,-0.1 -0.893 94.0 -70.3-159.2-169.1 10.3 48.1 67.6 32 49 A D S S+ 0 0 68 -2,-0.2 62,-2.9 1,-0.2 3,-0.1 0.582 128.5 23.9 -76.3 -0.9 10.9 51.6 69.1 33 50 A Q S S+ 0 0 44 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.303 107.3 75.4-141.7 2.6 7.2 52.3 69.6 34 51 A W E - L 0 89C 7 -3,-0.5 -4,-1.7 55,-0.2 -3,-1.2 -0.984 48.0-173.0-132.2 134.1 5.3 49.1 69.8 35 52 A V E -KL 29 88C 0 53,-2.5 53,-2.4 -2,-0.4 2,-0.4 -0.901 13.9-147.5-119.1 140.9 5.1 46.6 72.6 36 53 A V E +KL 28 87C 0 -8,-3.7 -8,-2.6 -2,-0.4 2,-0.2 -0.966 35.4 139.0-108.1 141.2 3.4 43.2 72.3 37 54 A S E - L 0 86C 0 49,-2.2 49,-2.1 -2,-0.4 2,-0.3 -0.677 52.7 -63.5-151.6-146.7 1.6 41.7 75.5 38 55 A A > - 0 0 0 -12,-0.4 3,-2.5 47,-0.3 47,-0.2 -0.845 27.5-130.0-124.4 138.5 -1.7 39.9 76.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.744 109.0 66.7 -53.5 -32.0 -5.3 41.1 75.7 40 57 A H G 3 S+ 0 0 88 1,-0.3 -1,-0.3 41,-0.1 137,-0.1 0.474 93.2 59.6 -64.8 -14.7 -6.0 39.9 79.2 41 58 A b G < S+ 0 0 3 -3,-2.5 -1,-0.3 2,-0.0 -2,-0.2 0.114 78.1 141.2 -99.9 9.9 -3.7 42.6 80.4 42 59 A Y < + 0 0 97 -3,-1.7 2,-0.3 2,-0.0 -3,-0.0 -0.420 16.6 159.3 -58.4 135.4 -5.9 45.3 78.9 43 60 A K - 0 0 58 -2,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.970 46.2-123.5-153.1 137.9 -6.3 48.6 80.9 44 61 A S S S+ 0 0 82 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.700 101.7 36.5 -63.5 -15.5 -7.4 51.9 79.5 45 62 A R S S+ 0 0 148 2,-0.0 2,-0.4 21,-0.0 -1,-0.2 -0.938 71.2 168.9-140.0 113.8 -4.2 53.7 80.8 46 63 A I - 0 0 6 -2,-0.4 21,-3.2 21,-0.2 2,-0.5 -0.986 21.3-158.4-127.8 139.7 -0.8 51.9 80.9 47 64 A Q E -JM 19 66C 44 -28,-3.3 -28,-4.7 -2,-0.4 2,-0.4 -0.943 20.7-146.7-112.0 133.0 2.6 53.3 81.5 48 65 A V E -JM 18 65C 0 17,-3.2 17,-2.6 -2,-0.5 2,-0.4 -0.810 7.8-155.0 -99.5 142.2 5.3 50.9 80.0 49 65AA R E -JM 17 64C 50 -32,-2.2 -32,-1.7 -2,-0.4 2,-0.3 -0.989 14.0-177.2-126.8 123.1 8.6 50.6 81.8 50 66 A L E +JM 16 63C 0 13,-2.5 13,-1.6 -2,-0.4 -34,-0.1 -0.820 60.0 33.2-123.1 156.7 11.8 49.6 80.0 51 69 A G S S+ 0 0 3 -36,-0.6 -1,-0.2 48,-0.4 10,-0.2 0.720 84.9 156.9 73.0 23.5 15.4 49.0 81.0 52 70 A E + 0 0 12 -37,-0.5 -1,-0.2 -3,-0.3 -42,-0.2 -0.504 22.4 149.5 -85.0 158.9 14.1 47.6 84.3 53 71 A H S S+ 0 0 14 1,-0.3 2,-0.9 4,-0.2 82,-0.5 0.309 77.5 37.0-136.0 -67.3 15.8 45.2 86.7 54 72 A N S > S- 0 0 29 3,-0.2 3,-0.7 80,-0.2 -1,-0.3 -0.788 72.4-162.8 -90.8 108.0 14.7 46.0 90.2 55 73 A I T 3 S+ 0 0 21 78,-2.9 -1,-0.2 -2,-0.9 79,-0.1 0.649 84.2 48.3 -65.9 -19.7 11.1 46.9 89.7 56 74 A N T 3 S+ 0 0 111 77,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.491 105.3 61.2-106.0 -2.4 10.7 48.7 93.1 57 75 A V S < S- 0 0 82 -3,-0.7 2,-0.3 76,-0.2 -4,-0.2 -0.994 80.6-124.7-127.9 129.3 13.9 50.9 93.0 58 76 A L + 0 0 128 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.517 32.4 177.7 -63.3 114.2 14.7 53.6 90.5 59 77 A E - 0 0 56 -2,-0.3 -1,-0.2 -5,-0.1 -7,-0.0 0.452 45.0-106.8-103.0 -9.2 18.1 52.5 89.1 60 78 A G S S+ 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.341 102.5 77.8 98.5 -6.3 19.0 55.1 86.5 61 79 A N + 0 0 45 -10,-0.2 38,-0.1 38,-0.0 -9,-0.1 0.492 66.9 113.0-112.5 -7.8 18.4 53.0 83.2 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.299 46.5-161.7 -71.0 150.9 14.6 53.1 83.0 63 81 A Q E -M 50 0C 38 -13,-1.6 -13,-2.5 2,-0.1 2,-0.5 -0.997 8.1-160.6-127.3 125.9 12.5 54.8 80.4 64 82 A F E +M 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.966 19.2 166.8-106.4 117.8 8.8 55.4 81.4 65 83 A V E -M 48 0C 15 -17,-2.6 -17,-3.2 -2,-0.5 2,-0.2 -0.996 30.5-122.3-140.3 136.5 6.5 56.0 78.4 66 84 A N E -M 47 0C 38 -2,-0.4 25,-3.1 -19,-0.3 2,-0.4 -0.472 28.6-108.0 -73.4 151.6 2.7 56.0 78.3 67 85 A A E -N 90 0C 18 -21,-3.2 23,-0.3 23,-0.2 -21,-0.2 -0.590 30.2-175.0 -72.2 134.0 0.6 53.8 76.0 68 86 A A E S+ 0 0 50 21,-4.5 2,-0.3 1,-0.4 22,-0.2 0.811 74.6 17.5-100.7 -31.2 -0.8 56.0 73.2 69 87 A K E -N 89 0C 82 20,-1.5 20,-2.0 2,-0.0 2,-0.5 -0.993 62.3-164.5-144.0 142.3 -2.9 53.2 71.7 70 88 A I E -N 88 0C 35 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.993 14.1-175.1-133.6 108.2 -3.9 49.8 73.2 71 89 A I E -N 87 0C 40 16,-3.1 16,-2.0 -2,-0.5 2,-0.2 -0.898 7.6-163.3-119.2 102.1 -5.1 47.4 70.5 72 90 A K E -N 86 0C 90 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.544 41.0 -92.1 -78.2 148.7 -6.5 44.0 71.5 73 91 A H > - 0 0 17 12,-1.8 3,-2.2 10,-0.2 12,-0.1 -0.457 36.0-124.1 -59.0 132.8 -6.8 41.3 68.8 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.799 110.7 50.0 -51.0 -33.4 -10.3 41.6 67.3 75 93 A N T 3 S+ 0 0 105 2,-0.1 -2,-0.1 8,-0.0 7,-0.0 0.178 76.4 142.0 -95.8 15.3 -11.0 38.0 68.1 76 94 A F < - 0 0 41 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.323 35.2-161.1 -53.1 130.6 -9.9 38.2 71.7 77 95 A D B >> -O 82 0D 57 5,-1.7 4,-2.4 1,-0.1 5,-0.5 -0.943 9.7-162.4-127.2 114.5 -12.3 36.0 73.7 78 96 A R T 45S+ 0 0 194 -2,-0.6 -1,-0.1 2,-0.2 -2,-0.0 0.807 86.2 50.5 -61.0 -37.7 -12.3 36.7 77.4 79 97 A K T 45S+ 0 0 183 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.972 125.2 24.2 -71.7 -56.2 -14.0 33.5 78.5 80 98 A T T 45S- 0 0 56 1,-0.0 -2,-0.2 2,-0.0 -1,-0.2 0.477 94.5-130.5 -87.0 -13.2 -11.7 31.1 76.6 81 99 A L T ><5 + 0 0 19 -4,-2.4 3,-0.8 1,-0.2 -3,-0.2 0.661 49.4 159.5 66.5 18.2 -8.6 33.3 76.3 82 100 A N B 3 < +O 77 0D 38 -5,-0.5 -5,-1.7 1,-0.3 3,-0.2 -0.379 65.4 14.8 -71.5 147.2 -8.4 32.5 72.6 83 101 A N T 3 S+ 0 0 19 1,-0.2 2,-1.6 -7,-0.2 -1,-0.3 0.887 80.9 178.7 58.3 44.2 -6.4 35.0 70.6 84 102 A N < + 0 0 1 -3,-0.8 2,-0.3 75,-0.1 -1,-0.2 -0.599 33.9 110.1 -80.4 84.3 -4.8 36.4 73.8 85 103 A I + 0 0 0 -2,-1.6 -12,-1.8 -47,-0.2 -47,-0.3 -0.988 37.4 178.2-148.4 152.9 -2.5 39.1 72.3 86 104 A M E -LN 37 72C 0 -49,-2.1 -49,-2.2 -2,-0.3 2,-0.4 -0.967 17.9-136.9-153.9 158.0 -2.6 43.0 72.3 87 105 A L E -LN 36 71C 0 -16,-2.0 -16,-3.1 -2,-0.3 2,-0.5 -0.938 8.8-158.9-121.6 142.7 -0.3 45.7 70.9 88 106 A I E -LN 35 70C 0 -53,-2.4 -53,-2.5 -2,-0.4 2,-0.6 -0.981 3.3-158.6-126.9 124.5 0.7 48.9 72.6 89 107 A K E -LN 34 69C 40 -20,-2.0 -21,-4.5 -2,-0.5 -20,-1.5 -0.828 26.2-130.6-100.1 119.3 2.0 52.0 70.7 90 108 A L E - 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