==== 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 HYDROLASE 11-MAR-99 3BTE . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.HELLAND,J.OTLEWSKI,O.SUNDHEIM,M.DADLEZ,A.O.SMALAS . 276 4 9 7 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 59.8 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 . 77 27.9 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 . 2 0.7 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 . 21 7.6 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 . 4 2 2 6 2 0 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 0.000 360.0 360.0 360.0 117.1 19.9 65.6 13.5 2 17 E V B +A 170 0A 9 168,-3.2 168,-2.1 1,-0.2 122,-0.1 -0.837 360.0 9.0 -99.0 134.7 23.7 66.1 13.1 3 18 E G S S+ 0 0 47 120,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.653 102.0 120.2 72.8 19.3 25.9 63.0 13.3 4 19 E G - 0 0 32 -3,-0.4 2,-0.3 166,-0.1 133,-0.2 -0.099 55.4-117.8 -98.4-159.5 23.1 60.6 13.3 5 20 E Y E -B 136 0B 104 131,-2.6 131,-3.5 -3,-0.1 2,-0.4 -0.953 34.8 -85.6-141.3 159.3 22.1 57.7 11.0 6 21 E T E -B 135 0B 73 -2,-0.3 129,-0.2 129,-0.2 128,-0.1 -0.504 35.5-151.8 -68.2 120.2 19.1 56.8 8.7 7 22 E a - 0 0 17 127,-1.9 -1,-0.2 -2,-0.4 128,-0.1 0.862 36.6-114.2 -60.5 -43.7 16.5 55.2 11.0 8 23 E G > - 0 0 26 126,-0.5 3,-1.9 4,-0.1 4,-0.3 0.068 49.1 -49.7 110.8 136.7 14.9 53.0 8.3 9 24 E A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.058 118.8 -17.1 -42.1 122.1 11.4 53.3 7.0 10 25 E N T 3 S+ 0 0 49 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.739 90.8 129.5 50.3 33.3 8.8 53.4 9.7 11 26 E T S < S+ 0 0 84 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.558 75.1 50.4 -88.1 -9.8 11.1 52.1 12.4 12 27 E V S > S+ 0 0 7 -4,-0.3 3,-1.6 86,-0.1 -1,-0.3 -0.708 74.5 175.1-126.6 74.9 10.1 55.0 14.6 13 28 E P T 3 S+ 0 0 39 0, 0.0 87,-1.2 0, 0.0 38,-0.3 0.650 73.0 56.2 -56.4 -24.7 6.2 54.6 14.3 14 29 E Y T 3 S+ 0 0 23 85,-0.2 15,-2.2 87,-0.1 2,-0.3 0.526 80.6 108.1 -90.8 -8.0 5.4 57.4 16.8 15 30 E Q E < -K 28 0C 5 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.555 48.3-177.1 -72.4 129.2 7.4 60.1 14.9 16 31 E V E -K 27 0C 2 11,-2.3 11,-0.9 -2,-0.3 2,-0.4 -0.888 21.1-133.7-125.0 158.9 5.2 62.6 13.2 17 32 E S E -KL 26 49C 2 32,-2.3 32,-2.9 -2,-0.3 2,-0.6 -0.948 12.5-143.2-111.3 133.0 5.8 65.7 11.0 18 33 E L E -KL 25 48C 0 7,-3.3 6,-2.4 -2,-0.4 7,-1.0 -0.880 26.3-167.3 -94.8 122.7 4.1 69.0 11.6 19 34 E N E +KL 23 47C 16 28,-2.8 28,-2.6 -2,-0.6 4,-0.2 -0.943 31.7 166.8-121.6 132.8 3.4 70.6 8.2 20 37 E S S S- 0 0 40 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.300 96.7 -49.0-131.2 42.8 2.2 74.1 7.3 21 38 E G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.317 139.5 28.1 102.5 -5.3 3.0 73.7 3.6 22 39 E Y S S- 0 0 58 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.910 104.5 -78.5-173.4 156.6 6.4 72.4 4.5 23 40 E H E +K 19 0C 8 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.568 52.7 157.6 -67.5 125.3 7.9 70.4 7.4 24 41 E F E + 0 0 0 -6,-2.4 214,-2.4 1,-0.4 2,-0.3 0.584 60.5 2.0-124.6 -16.4 8.5 72.8 10.3 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-3.3 212,-0.2 -1,-0.4 -0.977 61.4-126.6-163.8 162.0 8.6 70.7 13.5 26 43 E G E +K 17 0C 1 150,-3.3 12,-0.3 -2,-0.3 2,-0.3 -0.355 25.0 178.0-102.8-173.0 8.4 67.1 14.7 27 44 E G E -K 16 0C 0 -11,-0.9 -11,-2.3 -2,-0.1 2,-0.4 -0.955 24.5-112.0-177.2 171.3 6.1 65.5 17.3 28 45 E S E -KM 15 36C 0 8,-2.6 8,-2.8 -2,-0.3 2,-0.6 -0.982 19.6-130.9-126.5 135.6 5.2 62.2 19.0 29 46 E L E + M 0 35C 0 -15,-2.2 73,-2.1 -2,-0.4 6,-0.2 -0.728 32.6 164.9 -82.5 117.2 1.9 60.3 18.7 30 47 E I E + 0 0 23 4,-1.9 2,-0.3 -2,-0.6 5,-0.2 0.421 68.5 14.2-113.1 0.9 0.9 59.4 22.3 31 48 E N E > S- M 0 34C 59 3,-1.3 3,-0.5 69,-0.1 -1,-0.3 -0.952 87.3 -98.5-164.4 159.7 -2.7 58.4 21.5 32 49 E S T 3 S+ 0 0 42 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.742 127.1 26.6 -60.0 -22.3 -4.7 57.6 18.3 33 50 E Q T 3 S+ 0 0 61 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.357 113.3 74.5-121.4 2.9 -6.0 61.2 18.4 34 51 E W E < -MN 31 89C 6 -3,-0.5 -4,-1.9 55,-0.2 -3,-1.3 -0.962 48.5-172.6-128.6 143.3 -3.2 63.1 20.3 35 52 E V E -MN 29 88C 0 53,-2.3 53,-2.7 -2,-0.4 2,-0.4 -0.961 13.0-147.8-128.4 140.5 0.3 64.4 19.5 36 53 E V E +MN 28 87C 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.902 33.2 141.6-108.6 138.3 2.8 65.9 21.8 37 54 E S E - N 0 86C 0 49,-2.4 49,-2.3 -2,-0.4 2,-0.3 -0.800 51.2 -60.2-152.6-168.3 5.3 68.6 20.5 38 55 E A > - 0 0 0 -12,-0.3 3,-1.4 47,-0.3 47,-0.3 -0.655 33.6-131.4 -88.7 148.3 7.0 71.8 21.6 39 56 E A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.857 107.8 61.3 -64.6 -34.3 5.1 75.0 22.5 40 57 E H G 3 S+ 0 0 9 1,-0.3 -1,-0.3 41,-0.1 197,-0.1 0.565 92.6 67.5 -71.9 -5.3 7.3 77.1 20.3 41 58 E b G < S+ 0 0 0 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.287 71.9 132.8 -90.3 5.4 6.0 75.0 17.3 42 59 E Y < + 0 0 132 -3,-1.7 2,-0.3 216,-0.1 -3,-0.0 -0.435 24.9 149.4 -63.2 131.3 2.6 76.5 17.8 43 60 E K - 0 0 40 -2,-0.2 3,-0.5 0, 0.0 2,-0.2 -0.980 45.5-111.6-158.0 151.4 1.2 77.6 14.4 44 61 E S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.544 96.8 31.9 -86.3 155.9 -2.3 77.9 12.9 45 62 E G S S+ 0 0 68 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.822 78.5 175.0 70.4 35.4 -3.2 75.6 10.0 46 63 E I - 0 0 8 -3,-0.5 21,-2.1 -26,-0.1 2,-0.5 -0.532 16.4-165.2 -78.1 132.0 -1.2 72.6 11.1 47 64 E Q E -LO 19 66C 48 -28,-2.6 -28,-2.8 -2,-0.3 2,-0.5 -0.974 14.2-143.1-114.4 128.5 -1.5 69.3 9.2 48 65 E V E -LO 18 65C 0 17,-3.4 17,-3.0 -2,-0.5 2,-0.6 -0.805 9.7-156.2 -95.0 130.3 -0.0 66.3 11.0 49 66 E R E -LO 17 64C 50 -32,-2.9 -32,-2.3 -2,-0.5 3,-0.3 -0.929 13.8-175.9-112.8 116.9 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 -0.699 61.1 27.9-107.6 158.6 2.0 60.2 10.1 51 69 E G S S+ 0 0 5 -36,-0.5 2,-0.2 -38,-0.3 10,-0.2 0.725 84.9 154.2 64.8 23.4 3.7 57.1 8.8 52 70 E E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.557 21.1 150.9 -85.2 145.4 6.3 59.3 7.0 53 71 E D S S+ 0 0 14 1,-0.3 2,-0.9 4,-0.2 -1,-0.2 0.352 80.5 34.9-129.2 -72.6 9.8 58.3 6.1 54 72 E N S > S- 0 0 24 3,-0.2 3,-0.8 79,-0.2 -1,-0.3 -0.775 73.1-164.9 -86.3 107.3 10.7 60.3 3.0 55 73 E I T 3 S+ 0 0 25 77,-2.6 -1,-0.2 -2,-0.9 78,-0.1 0.511 81.9 56.9 -71.9 -6.6 8.8 63.6 3.7 56 74 E N T 3 S+ 0 0 108 76,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.587 105.0 46.4-100.1 -14.6 9.2 64.7 0.1 57 75 E V S < S- 0 0 69 -3,-0.8 2,-0.6 75,-0.2 -4,-0.2 -0.993 80.8-119.5-131.6 140.8 7.5 61.9 -1.7 58 76 E V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.638 32.4 174.5 -77.4 118.0 4.3 60.0 -1.1 59 77 E E - 0 0 99 -2,-0.6 -1,-0.2 -5,-0.2 -7,-0.0 0.420 48.6-106.3-103.6 -5.1 5.2 56.4 -0.5 60 78 E G S S+ 0 0 66 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.160 101.5 83.7 104.1 -20.8 1.8 55.0 0.5 61 79 E N + 0 0 49 -10,-0.2 -9,-0.1 37,-0.0 -3,-0.0 0.434 69.4 113.5 -97.5 4.9 2.0 54.4 4.2 62 80 E E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.247 45.4-166.8 -77.7 161.6 1.1 58.1 5.1 63 81 E Q E -O 50 0C 45 -13,-1.6 -13,-2.9 2,-0.1 2,-0.6 -0.959 8.4-161.1-145.4 115.3 -1.9 59.6 6.9 64 82 E F E +O 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.940 18.5 173.1-102.3 118.0 -2.3 63.3 6.7 65 83 E I E -O 48 0C 14 -17,-3.0 -17,-3.4 -2,-0.6 2,-0.1 -0.992 26.3-129.9-131.8 130.8 -4.6 64.6 9.4 66 84 E S E -O 47 0C 56 -2,-0.4 25,-3.2 -19,-0.3 26,-0.3 -0.410 27.1-113.7 -73.6 153.1 -5.4 68.2 10.3 67 85 E A E -P 90 0C 25 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.647 23.3-171.4 -84.5 141.0 -5.2 69.4 13.9 68 86 E S E S+ 0 0 60 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.689 74.5 15.8-100.8 -29.8 -8.5 70.4 15.5 69 87 E K E -P 89 0C 87 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.995 57.0-163.7-143.5 147.9 -7.0 71.8 18.6 70 88 E S E -P 88 0C 37 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.956 11.6-169.3-134.2 108.4 -3.6 72.9 19.8 71 89 E I E -P 87 0C 39 16,-3.5 16,-3.0 -2,-0.4 2,-0.3 -0.898 3.3-164.2-106.2 108.6 -3.1 73.3 23.5 72 90 E V E -P 86 0C 43 -2,-0.7 14,-0.2 14,-0.3 12,-0.1 -0.673 41.9 -87.3 -87.1 144.6 0.1 75.0 24.6 73 91 E H > - 0 0 24 12,-2.4 3,-2.6 10,-0.3 -1,-0.1 -0.302 34.2-129.7 -54.1 128.9 1.1 74.6 28.3 74 92 E P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.758 108.1 46.7 -53.4 -25.3 -0.6 77.4 30.3 75 93 E S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.116 77.7 138.1-104.3 19.7 2.7 78.3 31.9 76 94 E Y < - 0 0 51 -3,-2.6 2,-0.5 9,-0.1 7,-0.2 -0.472 38.8-157.6 -64.6 135.2 4.8 78.3 28.7 77 95 E N > - 0 0 67 5,-2.2 4,-1.9 -2,-0.1 5,-0.3 -0.964 9.0-161.2-119.2 113.5 7.2 81.2 28.8 78 96 E S T 4 S+ 0 0 74 -2,-0.5 182,-0.3 1,-0.2 -1,-0.1 0.705 89.6 49.1 -68.5 -18.5 8.4 82.3 25.4 79 97 E N T 4 S+ 0 0 80 1,-0.1 -1,-0.2 180,-0.1 -2,-0.0 0.942 122.9 26.0 -85.9 -51.5 11.4 84.1 26.9 80 98 E T T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.602 97.0-132.8 -86.3 -13.5 12.9 81.6 29.3 81 99 E L >< + 0 0 3 -4,-1.9 3,-0.8 1,-0.2 2,-0.2 0.603 50.6 156.0 70.6 14.1 11.5 78.7 27.2 82 100 E N T 3 + 0 0 35 -5,-0.3 -5,-2.2 1,-0.2 -1,-0.2 -0.495 62.5 17.7 -73.3 139.8 10.2 77.1 30.5 83 101 E N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.843 76.3 174.4 66.4 41.8 7.2 74.7 30.0 84 102 E D < + 0 0 1 -3,-0.8 2,-0.3 74,-0.1 -1,-0.2 -0.506 33.6 115.4 -81.3 74.5 7.9 74.3 26.2 85 103 E I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.996 37.4 179.6-145.4 144.9 5.3 71.6 25.6 86 104 E M E -NP 37 72C 0 -49,-2.3 -49,-2.4 -2,-0.3 2,-0.4 -0.996 17.9-142.3-148.8 148.6 2.1 71.5 23.6 87 105 E L E -NP 36 71C 0 -16,-3.0 -16,-3.5 -2,-0.3 2,-0.5 -0.919 12.3-162.7-113.7 136.7 -0.7 69.0 22.8 88 106 E I E -NP 35 70C 0 -53,-2.7 -53,-2.3 -2,-0.4 2,-0.4 -0.987 8.1-149.9-122.0 122.7 -2.3 68.8 19.4 89 107 E K E -NP 34 69C 40 -20,-2.8 -21,-2.9 -2,-0.5 -20,-1.2 -0.801 19.2-129.4 -92.5 131.8 -5.7 67.0 18.9 90 108 E L E - 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