==== 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 3BTT . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.HELLAND,J.OTLEWSKI,O.SUNDHEIM,M.DADLEZ,A.O.SMALAS . 278 3 9 8 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 60.4 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 28.4 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 . 23 8.3 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 . 22 7.9 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 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 113.9 19.9 65.3 13.6 2 17 E V B +A 171 0A 10 169,-2.7 169,-1.9 1,-0.2 123,-0.1 -0.812 360.0 9.7 -95.8 134.6 23.6 65.9 13.2 3 18 E G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.4 121,-0.1 0.690 101.3 122.1 73.9 20.8 25.9 62.8 13.3 4 19 E G - 0 0 34 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 -0.064 54.0-118.9 -98.8-160.1 23.0 60.3 13.2 5 20 E Y E -B 137 0B 107 132,-2.5 132,-3.6 -3,-0.1 2,-0.4 -0.953 35.4 -85.5-141.1 158.9 22.0 57.4 11.0 6 21 E T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.534 35.0-151.9 -67.6 120.0 19.1 56.5 8.8 7 22 E a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.4 129,-0.1 0.908 37.8-114.5 -59.6 -46.8 16.5 54.8 11.0 8 23 E G > - 0 0 23 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.099 47.7 -50.1 115.3 142.7 15.0 52.7 8.4 9 24 E A T 3 S- 0 0 63 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.181 119.3 -16.4 -50.3 122.1 11.5 52.8 6.9 10 25 E N T 3 S+ 0 0 52 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.750 91.2 128.5 52.3 34.7 8.9 52.9 9.7 11 26 E T S < S+ 0 0 84 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.517 75.1 50.0 -91.4 -6.8 11.2 51.6 12.5 12 27 E V S > S+ 0 0 7 -4,-0.3 3,-1.6 87,-0.1 -1,-0.3 -0.703 73.6 174.0-129.6 74.0 10.1 54.6 14.7 13 28 E P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.583 72.5 57.2 -57.6 -21.9 6.3 54.2 14.3 14 29 E Y T 3 S+ 0 0 25 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.475 81.1 106.9 -92.1 -6.6 5.4 56.9 16.8 15 30 E Q E < -K 28 0C 5 -3,-1.6 36,-0.4 13,-0.2 37,-0.4 -0.596 48.3-177.2 -75.7 129.9 7.3 59.6 15.0 16 31 E V E -K 27 0C 1 11,-2.4 11,-1.0 -2,-0.3 2,-0.4 -0.874 21.2-135.0-125.1 160.2 5.1 62.2 13.2 17 32 E S E -KL 26 49C 1 32,-2.1 32,-3.0 -2,-0.3 2,-0.6 -0.955 13.1-143.8-114.0 133.4 5.9 65.2 11.0 18 33 E L E -KL 25 48C 0 7,-3.1 6,-2.4 -2,-0.4 7,-1.1 -0.902 24.8-166.7 -97.4 123.3 4.0 68.4 11.6 19 34 E N E +KL 23 47C 17 28,-3.0 28,-2.4 -2,-0.6 4,-0.2 -0.941 30.1 167.1-120.1 132.2 3.3 70.0 8.2 20 37 E S S S- 0 0 37 2,-2.5 3,-0.1 -2,-0.4 26,-0.1 -0.345 97.2 -45.0-132.3 48.0 2.2 73.6 7.3 21 38 E G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.252 140.7 21.1 103.7 -10.8 3.0 73.4 3.6 22 39 E Y S S- 0 0 53 -4,-0.0 -2,-2.5 0, 0.0 2,-0.4 -0.919 103.7 -74.3-174.3 161.8 6.3 71.9 4.6 23 40 E H E +K 19 0C 9 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.555 52.4 156.5 -69.5 122.4 7.8 70.0 7.5 24 41 E F E + 0 0 0 -6,-2.4 215,-2.3 1,-0.4 2,-0.3 0.574 61.4 3.7-122.1 -16.8 8.5 72.4 10.4 25 42 E b E -K 18 0C 0 -7,-1.1 -7,-3.1 213,-0.2 -1,-0.4 -0.979 61.1-126.0-162.0 163.9 8.5 70.2 13.5 26 43 E G E +K 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.403 24.8 179.0-104.6-176.1 8.3 66.6 14.7 27 44 E G E -K 16 0C 0 -11,-1.0 -11,-2.4 -2,-0.1 2,-0.4 -0.952 23.9-115.2-174.6 169.0 6.0 65.0 17.3 28 45 E S E -KM 15 36C 1 8,-2.5 8,-2.8 -2,-0.3 2,-0.6 -0.977 20.6-129.3-124.5 137.5 5.1 61.7 19.0 29 46 E L E + M 0 35C 0 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.752 26.7 174.2 -84.3 117.0 1.9 59.8 18.7 30 47 E I E - 0 0 21 4,-1.9 2,-0.3 -2,-0.6 5,-0.2 0.564 69.1 -10.0 -99.3 -16.2 0.7 58.9 22.3 31 48 E N E > S- M 0 34C 55 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.941 90.0 -75.1-165.4 175.4 -2.6 57.4 21.3 32 49 E S T 3 S+ 0 0 44 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.677 128.8 24.7 -55.1 -18.2 -4.8 57.1 18.1 33 50 E Q T 3 S+ 0 0 60 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.443 110.4 73.1-130.4 0.5 -6.0 60.6 18.4 34 51 E W E < -MN 31 89C 10 -3,-0.7 -4,-1.9 55,-0.2 -3,-1.3 -0.942 46.8-173.6-128.9 143.8 -3.3 62.6 20.3 35 52 E V E -MN 29 88C 0 53,-2.2 53,-2.9 -2,-0.4 2,-0.4 -0.972 12.9-148.7-128.8 140.1 0.2 63.8 19.5 36 53 E V E +MN 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.916 31.6 145.4-110.5 139.1 2.7 65.5 21.8 37 54 E S E - N 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.776 50.4 -62.0-148.7-166.7 5.2 68.1 20.5 38 55 E A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.2 47,-0.3 -0.641 34.3-129.8 -90.9 149.5 6.9 71.3 21.6 39 56 E A G > S+ 0 0 3 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.832 108.1 61.4 -65.4 -32.5 5.0 74.5 22.5 40 57 E H G 3 S+ 0 0 9 1,-0.3 -1,-0.3 41,-0.1 198,-0.1 0.590 92.8 67.5 -72.7 -6.8 7.2 76.5 20.3 41 58 E b G < S+ 0 0 0 -3,-1.4 2,-0.4 2,-0.0 -1,-0.3 0.188 71.0 132.7 -90.2 8.3 6.0 74.4 17.3 42 59 E Y < + 0 0 127 -3,-1.5 2,-0.3 217,-0.1 -3,-0.0 -0.540 26.4 152.8 -65.5 128.1 2.5 75.9 17.8 43 60 E K - 0 0 50 -2,-0.4 3,-0.5 0, 0.0 2,-0.1 -0.979 43.9-111.6-152.5 151.5 1.2 77.0 14.4 44 61 E S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.488 96.9 28.5 -84.2 158.1 -2.2 77.5 12.8 45 62 E G S S+ 0 0 70 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.815 80.0 177.7 63.7 37.4 -3.3 75.1 10.1 46 63 E I - 0 0 8 -3,-0.5 21,-2.1 -26,-0.1 2,-0.5 -0.491 15.2-165.6 -76.6 134.0 -1.2 72.1 11.2 47 64 E Q E -LO 19 66C 50 -28,-2.4 -28,-3.0 -2,-0.2 2,-0.5 -0.983 13.4-144.0-117.6 128.3 -1.5 68.8 9.3 48 65 E V E -LO 18 65C 0 17,-3.2 17,-2.9 -2,-0.5 2,-0.6 -0.813 9.3-157.1 -95.4 130.9 -0.0 65.8 11.0 49 66 E R E -LO 17 64C 48 -32,-3.0 -32,-2.1 -2,-0.5 3,-0.3 -0.945 12.8-175.3-114.6 117.1 1.7 63.2 8.8 50 67 E L E + O 0 63C 1 13,-3.1 13,-1.5 -2,-0.6 -34,-0.1 -0.642 61.6 30.0-105.4 162.1 1.9 59.7 10.1 51 69 E G S S+ 0 0 6 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.724 84.8 154.5 62.7 25.1 3.7 56.6 8.7 52 70 E E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.528 21.4 150.4 -88.2 146.8 6.3 58.8 7.0 53 71 E D S S+ 0 0 15 1,-0.3 2,-0.9 4,-0.2 82,-0.2 0.330 80.2 34.3-130.0 -72.4 9.8 57.8 6.0 54 72 E N S > S- 0 0 23 80,-0.2 3,-1.1 3,-0.2 -1,-0.3 -0.778 73.4-163.6 -86.9 108.2 10.7 59.9 3.0 55 73 E I T 3 S+ 0 0 26 78,-2.6 -1,-0.1 -2,-0.9 79,-0.1 0.561 83.6 54.5 -70.7 -9.3 8.8 63.2 3.7 56 74 E N T 3 S+ 0 0 109 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.514 104.7 54.2-101.3 -6.4 9.1 64.3 0.1 57 75 E V S < S- 0 0 77 -3,-1.1 2,-0.8 76,-0.2 -4,-0.2 -0.990 79.7-124.1-133.2 135.0 7.6 61.3 -1.6 58 76 E V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.662 33.3 173.7 -77.3 110.3 4.3 59.6 -1.1 59 77 E E - 0 0 105 -2,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 0.449 48.3-107.1 -96.7 -6.1 5.3 56.0 -0.4 60 78 E G S S+ 0 0 70 1,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.323 100.9 83.4 100.2 -9.5 1.9 54.6 0.5 61 79 E N + 0 0 42 -10,-0.2 -9,-0.1 38,-0.0 2,-0.1 0.378 68.6 115.5-107.8 7.3 2.0 54.0 4.2 62 80 E E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.279 43.6-168.7 -79.3 158.8 1.1 57.6 5.1 63 81 E Q E -O 50 0C 48 -13,-1.5 -13,-3.1 -2,-0.1 2,-0.6 -0.968 8.5-162.5-143.7 117.2 -1.9 59.1 6.9 64 82 E F E +O 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.970 17.4 172.0-105.5 120.8 -2.3 62.9 6.7 65 83 E I E -O 48 0C 16 -17,-2.9 -17,-3.2 -2,-0.6 2,-0.1 -0.999 27.0-129.7-134.1 129.5 -4.7 64.1 9.4 66 84 E S E -O 47 0C 57 -2,-0.4 25,-3.2 -19,-0.3 26,-0.3 -0.408 27.8-110.7 -73.3 154.3 -5.4 67.7 10.3 67 85 E A E -P 90 0C 24 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.631 23.6-170.6 -83.6 140.8 -5.3 68.8 13.9 68 86 E S E S+ 0 0 59 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.682 75.1 17.0-100.1 -25.8 -8.6 69.8 15.4 69 87 E K E -P 89 0C 82 20,-1.3 20,-2.8 2,-0.0 2,-0.4 -0.998 56.8-163.3-147.0 145.1 -7.1 71.3 18.6 70 88 E S E -P 88 0C 39 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.957 11.7-170.6-132.0 109.3 -3.6 72.5 19.7 71 89 E I E -P 87 0C 39 16,-3.5 16,-3.0 -2,-0.4 2,-0.3 -0.896 3.9-163.8-108.4 107.9 -3.2 72.8 23.5 72 90 E V E -P 86 0C 44 -2,-0.7 14,-0.2 14,-0.3 12,-0.1 -0.646 42.2 -88.1 -85.2 141.9 0.1 74.5 24.6 73 91 E H > - 0 0 21 12,-2.6 3,-2.5 10,-0.3 -1,-0.1 -0.316 35.9-127.1 -52.7 129.7 1.0 74.0 28.2 74 92 E P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.731 107.9 45.1 -53.0 -23.9 -0.7 76.8 30.2 75 93 E S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.167 77.0 140.0-107.7 16.4 2.6 77.8 31.8 76 94 E Y < - 0 0 52 -3,-2.5 2,-0.6 9,-0.1 7,-0.2 -0.413 38.4-156.1 -58.9 132.1 4.7 77.8 28.7 77 95 E N > - 0 0 66 5,-2.1 4,-2.3 1,-0.1 5,-0.3 -0.959 8.2-161.6-116.4 113.7 7.1 80.7 28.8 78 96 E S T 4 S+ 0 0 71 -2,-0.6 183,-0.3 2,-0.2 -1,-0.1 0.670 89.9 48.9 -68.3 -18.3 8.4 81.8 25.4 79 97 E N T 4 S+ 0 0 82 181,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.926 123.8 26.0 -86.8 -48.8 11.3 83.7 26.9 80 98 E T T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.623 96.3-133.6 -88.5 -17.4 12.7 81.0 29.3 81 99 E L >< + 0 0 2 -4,-2.3 3,-0.7 1,-0.2 2,-0.2 0.617 49.8 155.7 72.3 15.9 11.3 78.1 27.3 82 100 E N T 3 + 0 0 35 -5,-0.3 -5,-2.1 1,-0.2 -1,-0.2 -0.510 62.6 18.6 -75.7 139.5 10.1 76.5 30.5 83 101 E N T 3 S+ 0 0 19 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.875 76.4 176.5 67.7 42.3 7.1 74.1 30.0 84 102 E D < + 0 0 1 -3,-0.7 2,-0.3 75,-0.1 -1,-0.2 -0.515 34.2 116.5 -79.8 74.5 7.9 73.7 26.3 85 103 E I + 0 0 0 -2,-2.2 -12,-2.6 -47,-0.3 2,-0.3 -0.994 36.6 178.6-145.1 145.8 5.2 71.1 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 17.7-143.9-149.7 145.1 2.0 71.0 23.6 87 105 E L E -NP 36 71C 0 -16,-3.0 -16,-3.5 -2,-0.3 2,-0.5 -0.925 12.9-161.4-112.3 135.6 -0.8 68.4 22.8 88 106 E I E -NP 35 70C 0 -53,-2.9 -53,-2.2 -2,-0.4 2,-0.4 -0.978 7.3-149.3-120.5 123.7 -2.4 68.2 19.4 89 107 E K E -NP 34 69C 37 -20,-2.8 -21,-3.0 -2,-0.5 -20,-1.3 -0.793 18.7-129.7 -92.8 132.4 -5.7 66.5 18.9 90 108 E L E - 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