==== 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 SERINE PROTEASE 10-OCT-97 1XUF . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,J.M.CLARK,J.S.FINER-MOORE,T.E.JENKINS,C.R.JOHNSON,M . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 69 30.9 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 . 4 1.8 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 7.2 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 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 . 3 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 A I > 0 0 3 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.3 35.4 20.7 19.3 2 17 A V B 3 +A 171 0A 10 169,-2.8 169,-1.8 1,-0.2 123,-0.1 -0.821 360.0 3.4 -94.8 132.9 37.6 19.6 16.2 3 18 A G T 3 S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.791 102.3 125.3 67.5 36.1 39.5 22.4 14.5 4 19 A G < - 0 0 34 -3,-0.5 2,-0.3 134,-0.1 134,-0.2 -0.160 55.5-115.8-103.6-164.4 38.3 25.2 16.9 5 20 A Y E -B 137 0B 102 132,-2.5 132,-3.0 -2,-0.1 2,-0.4 -0.921 37.0 -87.2-133.3 160.6 40.2 27.7 19.0 6 21 A T E -B 136 0B 68 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.573 35.6-148.9 -66.2 123.3 40.4 28.2 22.9 7 22 A a - 0 0 17 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.904 34.3-117.1 -59.4 -43.5 37.5 30.4 23.9 8 23 A G > - 0 0 27 127,-0.6 3,-2.0 -3,-0.1 4,-0.3 0.234 46.1 -55.0 100.5 130.4 39.1 32.2 26.7 9 24 A A T 3 S- 0 0 45 1,-0.3 44,-0.1 2,-0.1 43,-0.1 0.022 117.4 -12.9 -40.2 119.7 38.0 31.9 30.4 10 25 A N T 3 S+ 0 0 20 42,-0.5 -1,-0.3 2,-0.1 43,-0.1 0.719 91.8 124.4 53.9 30.5 34.4 32.8 31.0 11 26 A T S < S+ 0 0 84 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.643 76.7 52.0 -84.2 -13.6 33.9 34.4 27.5 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.6 1,-0.1 -1,-0.2 -0.540 74.7 176.5-117.0 70.9 30.9 31.9 27.0 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.586 72.6 54.3 -63.1 -12.9 29.0 32.7 30.3 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.489 81.1 113.2 -98.3 -5.0 26.0 30.3 29.6 15 30 A Q E < -J 28 0C 9 -3,-2.6 36,-0.4 13,-0.2 37,-0.4 -0.484 46.5-171.0 -71.8 130.5 28.2 27.2 29.0 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.1 -2,-0.2 2,-0.4 -0.908 17.3-143.9-123.6 152.2 27.8 24.4 31.7 17 32 A S E -JK 26 49C 1 32,-2.5 32,-3.2 -2,-0.3 2,-0.5 -0.924 14.9-146.8-107.2 133.2 29.8 21.3 32.2 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.6 -2,-0.4 7,-1.1 -0.941 21.7-171.1-104.4 133.6 27.7 18.3 33.4 19 34 A N E +JK 23 47C 22 28,-2.6 28,-2.6 -2,-0.5 4,-0.2 -0.943 30.6 169.4-127.1 132.7 29.7 16.1 35.8 20 37 A S S S- 0 0 30 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.283 97.8 -43.5-130.0 51.1 29.0 12.7 37.3 21 38 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.044 141.3 27.9 112.0 -24.1 32.5 12.1 38.7 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.0 0, 0.0 2,-0.2 -0.942 102.6 -82.7-160.1 153.1 34.0 13.4 35.4 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.515 53.4 160.2 -61.5 128.7 32.9 15.9 32.7 24 41 A F E - 0 0 30 -6,-2.6 2,-0.3 1,-0.5 153,-0.2 0.669 56.8 -0.6-123.1 -30.7 30.6 14.0 30.4 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-2.9 151,-0.1 -1,-0.5 -0.904 62.0-124.3-151.1 169.4 28.4 16.5 28.4 26 43 A G E +J 17 0C 0 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.491 26.4 177.0-107.7-175.9 27.8 20.2 28.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.936 25.3-108.3-172.8 177.9 24.6 22.1 28.6 28 45 A S E -JL 15 36C 0 8,-2.6 8,-2.4 -2,-0.3 2,-0.5 -0.993 18.0-131.1-131.8 129.5 23.2 25.7 28.6 29 46 A L E + L 0 35C 1 -15,-2.2 74,-1.8 -2,-0.4 6,-0.2 -0.636 28.2 171.1 -76.9 118.1 21.9 27.8 31.4 30 47 A I E - 0 0 17 4,-2.1 2,-0.3 -2,-0.5 -1,-0.2 0.574 68.9 -5.8-105.6 -15.0 18.6 29.3 30.4 31 48 A N E > S- L 0 34C 44 3,-1.2 3,-0.6 70,-0.1 -1,-0.4 -0.945 90.1 -81.8-162.2 174.0 17.6 30.8 33.7 32 49 A S T 3 S+ 0 0 47 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.676 126.7 28.7 -66.2 -11.6 19.0 30.7 37.2 33 50 A Q T 3 S+ 0 0 63 60,-0.2 57,-3.4 1,-0.1 2,-0.4 0.507 110.5 68.4-119.3 -6.5 17.4 27.3 38.0 34 51 A W E < -LM 31 89C 8 -3,-0.6 -4,-2.1 55,-0.2 -3,-1.2 -0.932 49.6-172.0-125.8 138.7 17.2 25.5 34.7 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.5 -2,-0.4 2,-0.4 -0.911 13.7-148.5-118.4 142.8 19.7 24.0 32.2 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.2 -0.936 31.5 151.1-106.5 138.9 18.8 22.6 28.7 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.5 -2,-0.4 2,-0.4 -0.792 48.6 -72.3-142.1-162.8 21.0 19.8 27.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.794 30.1-132.4-100.5 141.5 20.6 16.7 25.1 39 56 A A G > S+ 0 0 4 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.801 105.2 67.9 -62.0 -26.9 18.5 13.7 26.1 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.606 93.5 61.6 -72.5 -5.8 21.4 11.4 24.9 41 58 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.398 78.6 135.1 -92.7 0.1 23.4 12.8 27.8 42 59 A Y < + 0 0 132 -3,-2.0 2,-0.3 -4,-0.0 -3,-0.1 -0.282 15.8 137.5 -61.2 136.4 20.9 11.5 30.4 43 60 A K - 0 0 57 -2,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.940 51.3-103.2-156.6 166.5 22.2 9.8 33.6 44 61 A S S S+ 0 0 101 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.608 96.6 39.3 -89.7 156.2 21.2 9.9 37.3 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.898 72.7 171.6 76.3 49.2 23.4 11.8 39.7 46 63 A I - 0 0 11 -3,-0.3 21,-2.0 -26,-0.1 2,-0.5 -0.687 18.5-163.8 -95.1 129.8 24.4 14.9 37.6 47 64 A Q E -KN 19 66C 49 -28,-2.6 -28,-2.6 -2,-0.4 2,-0.5 -0.977 17.4-139.6-110.6 129.7 26.2 17.8 39.2 48 65 A V E -KN 18 65C 0 17,-2.7 17,-2.4 -2,-0.5 2,-0.6 -0.774 11.9-157.1 -91.2 122.6 26.1 21.0 37.1 49 65AA R E -KN 17 64C 50 -32,-3.2 -32,-2.5 -2,-0.5 3,-0.3 -0.909 14.4-177.4-107.4 116.4 29.4 23.0 37.0 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.7 -2,-0.6 -34,-0.1 -0.725 60.1 33.3-104.3 158.7 28.9 26.6 36.1 51 69 A G S S+ 0 0 7 -36,-0.4 10,-0.3 -2,-0.3 -1,-0.2 0.668 84.5 152.9 70.6 18.3 31.7 29.3 35.7 52 70 A E + 0 0 13 -37,-0.4 -42,-0.5 -3,-0.3 -1,-0.2 -0.403 23.4 148.2 -83.2 153.8 34.2 26.8 34.3 53 71 A D S S+ 0 0 13 1,-0.3 2,-0.6 4,-0.2 -1,-0.1 0.034 82.1 33.0-137.5 -87.2 37.1 27.2 32.0 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.0 1,-0.2 -1,-0.3 -0.563 72.8-161.4 -71.7 110.5 39.7 24.6 33.0 55 73 A I T 3 S+ 0 0 32 78,-2.6 -1,-0.2 -2,-0.6 79,-0.1 0.557 87.2 50.1 -71.8 -3.7 37.5 21.7 34.2 56 74 A N T 3 S+ 0 0 123 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.357 105.8 58.3-107.3 -4.3 40.5 20.1 36.1 57 75 A V S < S- 0 0 76 -3,-1.0 2,-0.6 76,-0.2 -4,-0.2 -0.988 77.7-133.3-129.8 122.6 41.7 23.3 38.1 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.669 32.8 173.0 -72.2 113.8 39.4 25.3 40.5 59 77 A E - 0 0 97 -2,-0.6 -1,-0.2 -5,-0.2 -7,-0.0 0.527 52.7 -91.4-111.0 -7.2 40.2 28.9 39.3 60 78 A G S S+ 0 0 64 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.295 106.8 75.4 123.2 -8.3 37.8 31.0 41.3 61 79 A N + 0 0 59 -10,-0.3 -9,-0.1 38,-0.0 -3,-0.0 0.492 64.5 119.3-120.3 3.6 34.6 31.3 39.2 62 80 A E - 0 0 32 -11,-0.1 2,-0.3 -13,-0.0 -11,-0.2 -0.221 37.1-172.9 -71.7 149.0 32.9 28.0 39.6 63 81 A Q E -N 50 0C 40 -13,-1.7 -13,-2.8 2,-0.0 2,-0.6 -0.951 9.4-164.8-133.0 116.5 29.4 27.1 41.0 64 82 A F E +N 49 0C 76 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.952 16.1 173.3-109.2 119.5 28.8 23.3 41.4 65 83 A I E -N 48 0C 20 -17,-2.4 -17,-2.7 -2,-0.6 -2,-0.0 -0.988 26.3-131.5-132.1 125.7 25.1 22.8 41.9 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.2 26,-0.4 -0.324 28.1-111.6 -74.4 155.8 23.4 19.3 42.0 67 85 A A E -O 90 0C 18 -21,-2.0 23,-0.3 23,-0.2 3,-0.1 -0.694 15.9-160.6 -90.8 148.1 20.3 18.7 39.9 68 86 A S E S- 0 0 71 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.789 75.3 -6.0 -85.9 -42.3 17.0 18.2 41.5 69 87 A K E -O 89 0C 80 20,-1.0 20,-2.8 2,-0.0 2,-0.4 -0.970 54.3-148.3-158.9 155.4 15.4 16.6 38.5 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.971 13.5-160.1-123.4 132.6 16.0 15.8 34.8 71 89 A I E -O 87 0C 37 16,-2.9 16,-2.4 -2,-0.4 2,-0.3 -0.960 3.9-155.2-124.7 117.2 13.2 15.7 32.3 72 90 A V E -O 86 0C 54 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.641 40.1 -92.5 -84.4 143.2 13.7 13.9 29.0 73 91 A H > - 0 0 20 12,-1.4 3,-1.8 10,-0.3 -1,-0.1 -0.308 34.7-122.7 -48.4 136.7 11.5 15.1 26.1 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.830 111.0 40.6 -58.8 -31.0 8.2 13.1 26.1 75 93 A S T 3 S+ 0 0 72 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.060 80.1 142.2-105.4 20.8 8.9 12.0 22.5 76 94 A Y < - 0 0 56 -3,-1.8 2,-0.4 9,-0.1 7,-0.2 -0.401 31.0-165.8 -56.9 133.3 12.7 11.4 22.7 77 95 A N > - 0 0 67 5,-2.0 4,-1.8 1,-0.1 5,-0.4 -0.976 9.9-163.9-123.4 118.8 13.7 8.4 20.6 78 96 A S T 4 S+ 0 0 77 -2,-0.4 -1,-0.1 2,-0.2 5,-0.0 0.665 87.1 56.0 -79.1 -16.1 17.2 7.1 21.3 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.942 123.8 21.5 -82.5 -44.8 17.4 5.1 18.1 80 98 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.619 97.6-133.9 -91.5 -17.8 16.7 8.0 15.6 81 99 A L >< + 0 0 36 -4,-1.8 3,-0.9 1,-0.3 2,-0.2 0.624 48.4 156.2 71.8 23.1 17.7 10.7 18.0 82 100 A N T 3 + 0 0 34 -5,-0.4 -5,-2.0 1,-0.2 -1,-0.3 -0.539 63.3 18.3 -77.1 143.0 14.7 12.7 17.2 83 101 A N T 3 S+ 0 0 20 -7,-0.2 2,-2.2 -2,-0.2 -10,-0.3 0.812 77.7 176.4 64.1 38.3 13.6 15.2 20.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.1 123,-0.2 -0.412 33.4 114.4 -73.9 75.2 17.1 15.0 21.6 85 103 A I - 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