==== 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 3BTH . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.HELLAND,J.OTLEWSKI,O.SUNDHEIM,M.DADLEZ,A.O.SMALAS . 275 5 9 5 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 60.7 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 . 80 29.1 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.6 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 . 5 2 3 4 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 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 E I 0 0 2 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.7 19.9 65.3 13.5 2 17 E V B +A 170 0A 9 168,-2.9 168,-2.0 1,-0.2 122,-0.1 -0.813 360.0 8.6 -97.8 134.8 23.6 65.9 13.1 3 18 E G S S+ 0 0 46 120,-0.6 -1,-0.2 -2,-0.4 166,-0.1 0.638 101.7 119.9 73.6 17.4 25.9 62.9 13.3 4 19 E G - 0 0 34 -3,-0.4 2,-0.3 166,-0.1 133,-0.2 -0.036 54.7-117.4 -97.1-157.6 23.1 60.3 13.2 5 20 E Y E -B 136 0B 111 131,-2.5 131,-3.7 -3,-0.1 2,-0.4 -0.930 35.3 -84.2-141.5 162.4 22.0 57.5 10.9 6 21 E T E -B 135 0B 76 -2,-0.3 129,-0.2 129,-0.2 128,-0.1 -0.566 35.8-151.4 -70.6 119.2 19.1 56.6 8.7 7 22 E a - 0 0 18 127,-1.8 -1,-0.2 -2,-0.4 128,-0.1 0.880 36.9-114.1 -59.3 -45.4 16.5 54.9 11.0 8 23 E G > - 0 0 25 126,-0.5 3,-1.7 4,-0.1 4,-0.3 -0.015 48.5 -51.6 113.6 139.6 15.0 52.7 8.3 9 24 E A T 3 S- 0 0 60 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.168 118.7 -14.9 -48.9 124.3 11.4 53.0 7.0 10 25 E N T 3 S+ 0 0 54 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.766 91.2 127.8 51.5 35.2 8.8 53.1 9.7 11 26 E T S < S+ 0 0 84 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.522 76.2 47.6 -91.9 -9.4 11.1 51.8 12.5 12 27 E V S > S+ 0 0 7 -4,-0.3 3,-1.7 86,-0.1 -1,-0.3 -0.681 75.2 172.3-127.5 75.4 10.1 54.8 14.7 13 28 E P T 3 S+ 0 0 36 0, 0.0 87,-1.4 0, 0.0 38,-0.3 0.571 70.9 58.6 -64.3 -16.2 6.3 54.4 14.2 14 29 E Y T 3 S+ 0 0 22 85,-0.2 15,-2.2 87,-0.1 2,-0.3 0.481 81.2 107.9 -92.6 -5.3 5.4 57.1 16.7 15 30 E Q E < -J 28 0C 6 -3,-1.7 36,-0.5 13,-0.2 37,-0.3 -0.558 48.3-177.1 -76.1 131.9 7.3 59.8 14.9 16 31 E V E -J 27 0C 1 11,-2.3 11,-1.1 -2,-0.3 2,-0.4 -0.894 21.3-134.8-127.2 159.3 5.1 62.4 13.1 17 32 E S E -JK 26 49C 1 32,-2.1 32,-3.0 -2,-0.3 2,-0.6 -0.951 13.2-142.8-112.9 132.7 5.8 65.4 10.9 18 33 E L E -JK 25 48C 0 7,-3.2 6,-2.3 -2,-0.4 7,-1.1 -0.893 26.2-166.4 -95.1 122.4 4.0 68.7 11.6 19 34 E N E +JK 23 47C 16 28,-3.1 28,-2.5 -2,-0.6 4,-0.2 -0.938 31.1 166.0-119.8 132.4 3.3 70.2 8.1 20 37 E S S S- 0 0 40 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.290 96.4 -47.8-132.0 44.6 2.2 73.7 7.3 21 38 E G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.242 139.4 25.1 104.5 -12.2 3.0 73.5 3.6 22 39 E Y S S- 0 0 53 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.923 103.9 -77.3-170.3 159.3 6.4 72.0 4.5 23 40 E H E +J 19 0C 7 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.583 52.7 157.1 -68.6 122.4 7.9 70.1 7.5 24 41 E F E + 0 0 0 -6,-2.3 214,-2.4 -2,-0.4 2,-0.3 0.611 61.3 2.2-121.3 -18.1 8.5 72.6 10.3 25 42 E b E -J 18 0C 0 -7,-1.1 -7,-3.2 212,-0.2 -1,-0.4 -0.974 60.9-127.9-161.4 163.9 8.6 70.3 13.5 26 43 E G E +J 17 0C 1 150,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.423 24.2 179.5-106.0-174.5 8.3 66.8 14.6 27 44 E G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.954 24.4-112.7-174.8 170.9 6.0 65.2 17.3 28 45 E S E -JL 15 36C 2 8,-2.7 8,-3.0 -2,-0.3 2,-0.7 -0.987 20.3-130.6-124.7 136.1 5.2 61.9 18.9 29 46 E L E + L 0 35C 0 -15,-2.2 73,-2.1 -2,-0.4 6,-0.2 -0.740 32.4 166.0 -83.5 115.9 1.9 60.0 18.7 30 47 E I E + 0 0 23 4,-1.8 2,-0.3 -2,-0.7 5,-0.2 0.407 69.1 13.5-111.6 3.1 0.8 59.1 22.2 31 48 E N E > S- L 0 34C 60 3,-1.3 3,-0.9 69,-0.1 -1,-0.3 -0.949 87.0 -99.5-167.5 157.5 -2.7 58.1 21.4 32 49 E S T 3 S+ 0 0 37 -2,-0.3 62,-3.4 1,-0.3 60,-0.1 0.723 126.9 28.2 -61.5 -17.6 -4.6 57.4 18.2 33 50 E Q T 3 S+ 0 0 58 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.323 114.0 71.3-124.1 6.4 -6.0 60.9 18.4 34 51 E W E < -LM 31 89C 7 -3,-0.9 -4,-1.8 55,-0.2 -3,-1.3 -0.976 48.6-173.8-134.2 141.8 -3.3 62.8 20.2 35 52 E V E -LM 29 88C 0 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.961 13.8-147.7-127.3 141.1 0.2 64.0 19.4 36 53 E V E +LM 28 87C 1 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.2 -0.920 31.7 145.8-111.2 139.4 2.7 65.7 21.8 37 54 E S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.762 50.3 -63.5-148.4-167.1 5.2 68.3 20.5 38 55 E A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.2 47,-0.3 -0.667 34.5-129.5 -92.6 151.1 6.9 71.5 21.6 39 56 E A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.821 107.7 62.7 -66.8 -31.6 5.0 74.6 22.5 40 57 E H G 3 S+ 0 0 8 1,-0.3 -1,-0.3 41,-0.1 197,-0.1 0.585 92.8 66.7 -72.1 -5.7 7.3 76.7 20.3 41 58 E b G < S+ 0 0 0 -3,-1.3 -1,-0.3 2,-0.0 2,-0.2 0.242 71.7 132.2 -91.1 5.1 6.0 74.6 17.3 42 59 E Y < + 0 0 128 -3,-1.7 2,-0.3 216,-0.1 -3,-0.0 -0.476 25.5 149.4 -61.8 131.2 2.6 76.1 17.8 43 60 E K - 0 0 42 -2,-0.2 3,-0.4 0, 0.0 2,-0.2 -0.969 45.4-112.1-158.3 151.7 1.2 77.3 14.4 44 61 E S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.552 96.3 32.5 -87.5 158.0 -2.3 77.6 12.9 45 62 E G S S+ 0 0 67 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.834 78.6 175.2 68.0 37.2 -3.2 75.3 10.0 46 63 E I - 0 0 9 -3,-0.4 21,-1.9 -26,-0.1 2,-0.5 -0.548 16.6-165.1 -78.4 133.9 -1.2 72.3 11.1 47 64 E Q E -KN 19 66C 51 -28,-2.5 -28,-3.1 -2,-0.3 2,-0.5 -0.987 13.9-144.1-116.2 126.0 -1.4 69.0 9.2 48 65 E V E -KN 18 65C 0 17,-3.1 17,-2.8 -2,-0.5 2,-0.6 -0.803 9.5-157.2 -93.5 129.9 -0.0 66.0 11.0 49 66 E R E -KN 17 64C 49 -32,-3.0 -32,-2.1 -2,-0.5 3,-0.3 -0.943 13.2-176.8-113.9 115.3 1.7 63.4 8.8 50 67 E L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.714 61.8 30.9-106.3 157.7 2.0 59.9 10.1 51 69 E G S S+ 0 0 6 -36,-0.5 2,-0.2 -38,-0.3 10,-0.2 0.674 84.7 154.1 69.5 18.8 3.7 56.8 8.7 52 70 E E + 0 0 10 -37,-0.3 -42,-0.3 -3,-0.3 -1,-0.2 -0.519 20.4 150.3 -81.8 144.9 6.3 59.0 7.0 53 71 E D S S+ 0 0 18 1,-0.4 2,-0.9 4,-0.2 81,-0.2 0.398 80.5 33.0-129.8 -72.5 9.8 58.0 6.0 54 72 E N S > S- 0 0 24 79,-0.2 3,-1.0 3,-0.2 -1,-0.4 -0.798 73.4-163.4 -87.5 109.3 10.7 60.1 2.9 55 73 E I T 3 S+ 0 0 26 77,-2.6 -1,-0.2 -2,-0.9 78,-0.1 0.569 82.1 58.8 -72.0 -6.8 8.8 63.3 3.7 56 74 E N T 3 S+ 0 0 112 76,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.568 103.6 46.1 -99.5 -9.9 9.2 64.4 0.1 57 75 E V S < S- 0 0 70 -3,-1.0 2,-0.5 75,-0.2 -4,-0.2 -0.992 80.7-117.6-135.7 142.9 7.5 61.6 -1.8 58 76 E V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.658 33.9 173.1 -76.9 121.5 4.2 59.7 -1.2 59 77 E E - 0 0 103 -2,-0.5 -1,-0.1 -5,-0.1 -7,-0.0 0.352 49.1-106.9-110.9 0.2 5.1 56.1 -0.5 60 78 E G S S+ 0 0 66 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.007 101.7 84.2 100.3 -28.4 1.7 54.7 0.5 61 79 E N + 0 0 43 -10,-0.2 -9,-0.1 2,-0.0 -3,-0.0 0.525 68.9 113.5 -88.9 -0.2 2.1 54.2 4.2 62 80 E E - 0 0 31 -11,-0.0 2,-0.4 -13,-0.0 -11,-0.2 -0.205 44.3-168.5 -75.1 158.5 1.1 57.8 5.1 63 81 E Q E -N 50 0C 47 -13,-1.7 -13,-2.9 2,-0.1 2,-0.6 -0.971 8.3-162.4-143.9 115.6 -1.9 59.3 6.9 64 82 E F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.963 18.2 172.3-103.6 120.4 -2.3 63.1 6.6 65 83 E I E -N 48 0C 14 -17,-2.8 -17,-3.1 -2,-0.6 2,-0.1 -0.997 26.8-128.4-134.0 129.8 -4.7 64.3 9.3 66 84 E S E -N 47 0C 59 -2,-0.4 25,-3.4 -19,-0.2 26,-0.3 -0.377 26.8-112.5 -73.1 154.2 -5.5 67.9 10.3 67 85 E A E -O 90 0C 25 -21,-1.9 23,-0.3 23,-0.2 3,-0.1 -0.637 23.6-171.4 -84.7 141.2 -5.2 69.1 13.8 68 86 E S E S+ 0 0 59 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.701 74.2 11.9-101.4 -29.6 -8.6 70.0 15.4 69 87 E K E -O 89 0C 85 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.995 57.3-161.5-147.0 147.8 -7.1 71.6 18.6 70 88 E S E -O 88 0C 37 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.982 12.1-167.1-133.0 114.0 -3.6 72.6 19.7 71 89 E I E -O 87 0C 38 16,-3.9 16,-2.9 -2,-0.4 2,-0.3 -0.911 2.4-163.2-110.6 108.4 -3.1 73.0 23.5 72 90 E V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.3 12,-0.1 -0.618 41.2 -89.4 -84.7 143.2 0.1 74.7 24.6 73 91 E H > - 0 0 20 12,-2.3 3,-2.6 10,-0.3 -1,-0.1 -0.348 35.0-129.4 -54.3 129.1 1.0 74.3 28.3 74 92 E P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.731 108.0 46.5 -55.3 -22.3 -0.7 77.1 30.2 75 93 E S T 3 S+ 0 0 68 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.174 77.5 137.5-106.5 15.5 2.6 78.0 31.8 76 94 E Y < - 0 0 50 -3,-2.6 2,-0.6 9,-0.1 7,-0.2 -0.444 39.6-156.6 -62.3 133.3 4.7 77.9 28.7 77 95 E N > - 0 0 68 5,-2.2 4,-2.1 -2,-0.1 5,-0.4 -0.961 9.2-161.8-117.5 114.5 7.1 80.9 28.8 78 96 E S T 4 S+ 0 0 77 -2,-0.6 182,-0.4 1,-0.2 -1,-0.1 0.670 89.7 50.6 -69.5 -19.5 8.4 82.0 25.4 79 97 E N T 4 S+ 0 0 59 1,-0.1 -1,-0.2 180,-0.1 -2,-0.0 0.922 123.4 25.4 -84.7 -46.3 11.3 83.9 26.9 80 98 E T T 4 S- 0 0 62 2,-0.1 -2,-0.2 75,-0.0 3,-0.1 0.587 95.8-132.6 -92.0 -15.0 12.7 81.2 29.2 81 99 E L >< + 0 0 2 -4,-2.1 3,-0.8 1,-0.2 2,-0.2 0.620 51.3 154.6 71.3 15.1 11.4 78.2 27.2 82 100 E N T 3 + 0 0 36 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.2 -0.519 63.1 18.1 -76.0 139.7 10.1 76.7 30.5 83 101 E N T 3 S+ 0 0 19 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.835 76.8 175.3 68.1 39.5 7.2 74.3 30.0 84 102 E D < + 0 0 1 -3,-0.8 2,-0.3 74,-0.1 -1,-0.2 -0.490 33.4 117.3 -78.7 75.4 7.9 73.9 26.3 85 103 E I + 0 0 0 -2,-2.2 -12,-2.3 -47,-0.3 2,-0.3 -0.995 36.4 178.9-145.2 143.4 5.2 71.2 25.7 86 104 E M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.996 17.2-144.5-147.8 146.7 2.0 71.2 23.5 87 105 E L E -MO 36 71C 0 -16,-2.9 -16,-3.9 -2,-0.3 2,-0.5 -0.928 11.8-162.1-114.6 136.3 -0.7 68.7 22.8 88 106 E I E -MO 35 70C 0 -53,-2.8 -53,-2.4 -2,-0.4 2,-0.4 -0.982 7.8-149.6-121.6 122.5 -2.4 68.4 19.4 89 107 E K E -MO 34 69C 39 -20,-2.7 -21,-2.9 -2,-0.5 -20,-1.2 -0.783 20.0-128.1 -91.8 133.2 -5.7 66.7 18.9 90 108 E L E - 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