==== 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 3BTM . 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) . 11121.0 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 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 118.1 19.9 65.4 13.4 2 17 E V B +A 171 0A 8 169,-3.0 169,-2.1 1,-0.2 123,-0.1 -0.839 360.0 7.4-100.7 130.1 23.7 66.0 13.1 3 18 E G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.689 101.7 118.2 75.5 22.9 25.9 63.0 13.2 4 19 E G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.122 55.9-114.6-102.6-158.2 23.2 60.4 13.2 5 20 E Y E -B 137 0B 109 132,-2.5 132,-3.4 -3,-0.1 2,-0.4 -0.928 35.5 -84.9-139.5 162.5 22.1 57.5 10.9 6 21 E T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.546 34.8-151.0 -70.8 121.7 19.1 56.7 8.6 7 22 E a - 0 0 17 128,-1.8 -1,-0.2 -2,-0.4 129,-0.1 0.870 36.3-115.9 -61.7 -42.0 16.5 55.0 10.9 8 23 E G > - 0 0 27 127,-0.5 3,-1.6 4,-0.0 4,-0.3 0.043 49.5 -50.7 108.0 137.5 15.0 52.9 8.2 9 24 E A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.148 118.6 -14.8 -47.0 123.3 11.4 53.2 7.0 10 25 E N T 3 S+ 0 0 49 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.770 90.1 128.2 52.2 34.9 8.8 53.2 9.7 11 26 E T S < S+ 0 0 84 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.522 76.3 49.4 -90.3 -8.9 11.2 51.9 12.4 12 27 E V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.696 74.1 173.4-127.0 73.2 10.1 54.9 14.6 13 28 E P T 3 S+ 0 0 29 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.619 72.6 57.3 -57.8 -21.3 6.3 54.5 14.2 14 29 E Y T 3 S+ 0 0 24 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.461 80.5 107.5 -92.7 -3.0 5.5 57.2 16.7 15 30 E Q E < -K 28 0C 6 -3,-1.8 36,-0.4 13,-0.2 37,-0.3 -0.598 48.8-174.9 -77.7 131.6 7.4 59.9 14.9 16 31 E V E -K 27 0C 2 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.888 20.0-136.3-125.3 159.2 5.2 62.5 13.2 17 32 E S E -KL 26 49C 1 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.953 12.9-143.7-113.0 132.4 5.9 65.5 11.0 18 33 E L E -KL 25 48C 0 7,-3.2 6,-2.3 -2,-0.4 7,-1.1 -0.888 25.3-166.0 -95.6 123.4 4.0 68.8 11.6 19 34 E N E +KL 23 47C 17 28,-3.1 28,-2.5 -2,-0.6 4,-0.2 -0.935 31.2 165.1-120.0 131.9 3.3 70.4 8.2 20 37 E S S S- 0 0 39 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.280 96.8 -46.8-131.9 43.5 2.2 73.9 7.3 21 38 E G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.226 139.8 23.6 106.3 -11.5 3.0 73.7 3.6 22 39 E Y S S- 0 0 56 -4,-0.1 -2,-2.3 0, 0.0 2,-0.4 -0.919 104.1 -76.8-172.0 158.6 6.4 72.2 4.5 23 40 E H E +K 19 0C 8 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.577 53.0 157.1 -67.3 124.6 7.9 70.3 7.5 24 41 E F E + 0 0 0 -6,-2.3 215,-2.3 1,-0.4 151,-0.3 0.587 61.3 5.6-124.2 -18.3 8.6 72.7 10.3 25 42 E b E -K 18 0C 0 -7,-1.1 -7,-3.2 213,-0.2 -1,-0.4 -0.971 61.9-129.5-158.9 162.9 8.6 70.5 13.5 26 43 E G E +K 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.425 24.5 178.7-105.2-174.8 8.3 66.9 14.6 27 44 E G E -K 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.964 24.2-112.2-174.8 172.4 6.1 65.4 17.3 28 45 E S E -KM 15 36C 0 8,-2.6 8,-2.8 -2,-0.3 2,-0.6 -0.984 20.2-130.8-126.5 136.3 5.2 62.0 19.0 29 46 E L E + M 0 35C 1 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.732 26.7 173.4 -84.4 115.9 1.9 60.1 18.7 30 47 E I E - 0 0 19 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.559 69.0 -7.6 -99.4 -13.9 0.8 59.2 22.3 31 48 E N E > S- M 0 34C 49 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.933 90.4 -77.4-165.3 172.8 -2.6 57.7 21.3 32 49 E S T 3 S+ 0 0 48 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.663 128.3 25.6 -56.2 -17.9 -4.7 57.4 18.2 33 50 E Q T 3 S+ 0 0 61 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.399 110.5 73.9-128.6 4.4 -5.9 61.0 18.4 34 51 E W E < -MN 31 89C 9 -3,-0.8 -4,-2.1 55,-0.2 -3,-1.2 -0.968 46.7-175.1-130.6 141.9 -3.2 62.9 20.3 35 52 E V E -MN 29 88C 0 53,-2.4 53,-3.0 -2,-0.4 2,-0.4 -0.952 13.4-149.0-128.1 138.9 0.3 64.2 19.5 36 53 E V E +MN 28 87C 1 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.912 31.7 144.0-110.3 141.3 2.8 65.8 21.8 37 54 E S E - N 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.775 50.9 -59.8-151.1-165.3 5.3 68.4 20.5 38 55 E A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.2 47,-0.3 -0.688 34.4-130.5 -93.6 148.1 6.9 71.6 21.6 39 56 E A G > S+ 0 0 4 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.825 107.2 61.1 -64.0 -33.3 5.0 74.8 22.6 40 57 E H G 3 S+ 0 0 11 1,-0.3 -1,-0.3 41,-0.1 198,-0.1 0.601 93.8 67.3 -72.4 -6.9 7.2 76.9 20.3 41 58 E b G < S+ 0 0 0 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.312 71.3 131.6 -88.3 1.9 6.0 74.8 17.4 42 59 E Y < + 0 0 126 -3,-1.7 2,-0.3 217,-0.1 -3,-0.0 -0.420 26.6 149.9 -59.6 132.2 2.5 76.2 17.8 43 60 E K - 0 0 41 -2,-0.2 3,-0.4 0, 0.0 2,-0.2 -0.969 44.9-110.2-158.0 155.5 1.1 77.4 14.5 44 61 E S S S+ 0 0 93 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.612 97.0 30.8 -90.2 155.6 -2.3 77.7 12.9 45 62 E G S S+ 0 0 68 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.828 78.9 175.0 69.8 34.8 -3.3 75.3 10.0 46 63 E I - 0 0 8 -3,-0.4 21,-2.1 -26,-0.1 2,-0.5 -0.550 16.2-164.7 -76.6 132.5 -1.1 72.4 11.2 47 64 E Q E -LO 19 66C 49 -28,-2.5 -28,-3.1 -2,-0.3 2,-0.5 -0.978 13.1-144.4-114.4 127.7 -1.4 69.2 9.2 48 65 E V E -LO 18 65C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.805 9.8-156.8 -95.6 131.3 0.0 66.1 11.0 49 66 E R E -LO 17 64C 48 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.945 12.7-176.7-115.4 117.0 1.7 63.5 8.9 50 67 E L E + O 0 63C 2 13,-3.0 13,-1.7 -2,-0.6 -34,-0.1 -0.670 61.8 31.2-107.0 159.5 2.0 60.0 10.1 51 69 E G S S+ 0 0 6 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.681 84.7 154.8 67.7 20.3 3.7 56.9 8.7 52 70 E E + 0 0 11 -37,-0.3 -42,-0.3 -3,-0.3 -1,-0.2 -0.511 21.1 148.4 -84.1 145.7 6.3 59.1 7.0 53 71 E D S S+ 0 0 15 1,-0.4 2,-0.9 4,-0.2 -1,-0.2 0.306 80.8 33.5-130.3 -77.1 9.8 58.2 6.0 54 72 E N S > S- 0 0 24 80,-0.2 3,-0.8 1,-0.2 -1,-0.4 -0.724 72.6-164.4 -83.3 109.6 10.7 60.2 2.9 55 73 E I T 3 S+ 0 0 27 78,-2.6 -1,-0.2 -2,-0.9 79,-0.1 0.524 82.2 57.6 -73.7 -5.0 8.8 63.5 3.6 56 74 E N T 3 S+ 0 0 108 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.586 104.1 47.1-101.2 -13.6 9.1 64.6 0.0 57 75 E V S < S- 0 0 71 -3,-0.8 2,-0.7 76,-0.2 -4,-0.2 -0.990 81.8-117.4-132.4 141.2 7.5 61.7 -1.8 58 76 E V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.647 34.7 174.1 -75.4 113.4 4.2 59.9 -1.2 59 77 E E - 0 0 103 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.479 47.9-107.6 -99.3 -8.6 5.2 56.3 -0.4 60 78 E G S S+ 0 0 65 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.137 101.1 82.3 106.3 -22.2 1.9 54.8 0.5 61 79 E N + 0 0 43 -10,-0.2 -9,-0.1 2,-0.0 -3,-0.0 0.436 69.2 117.3 -96.1 1.6 2.0 54.3 4.3 62 80 E E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.237 42.7-170.1 -72.3 157.5 1.1 58.0 5.1 63 81 E Q E -O 50 0C 49 -13,-1.7 -13,-3.0 2,-0.1 2,-0.6 -0.965 7.9-164.0-144.4 114.0 -1.9 59.4 6.9 64 82 E F E +O 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.967 17.1 171.7-103.2 121.2 -2.2 63.2 6.7 65 83 E I E -O 48 0C 16 -17,-2.8 -17,-2.9 -2,-0.6 -2,-0.1 -0.997 27.4-127.8-134.9 129.7 -4.7 64.4 9.4 66 84 E S E -O 47 0C 59 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.341 28.0-110.1 -71.8 156.3 -5.4 68.0 10.3 67 85 E A E -P 90 0C 25 -21,-2.1 23,-0.2 23,-0.2 3,-0.1 -0.671 24.7-171.9 -86.2 137.3 -5.2 69.2 13.9 68 86 E S E S+ 0 0 60 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.726 74.4 14.0 -97.6 -30.2 -8.5 70.1 15.5 69 87 E K E -P 89 0C 81 20,-1.3 20,-2.8 2,-0.0 2,-0.5 -0.998 57.6-162.0-145.2 146.3 -7.1 71.6 18.7 70 88 E S E -P 88 0C 39 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.978 11.5-167.2-130.0 113.5 -3.6 72.7 19.8 71 89 E I E -P 87 0C 38 16,-3.7 16,-2.8 -2,-0.5 2,-0.3 -0.893 1.7-164.8-110.1 107.5 -3.1 73.0 23.6 72 90 E V E -P 86 0C 46 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.627 41.8 -90.1 -84.3 140.9 0.1 74.9 24.7 73 91 E H > - 0 0 22 12,-2.3 3,-2.3 10,-0.3 -1,-0.1 -0.303 33.5-128.3 -53.5 133.2 1.0 74.4 28.3 74 92 E P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.764 108.6 45.5 -56.0 -25.7 -0.7 77.2 30.4 75 93 E S T 3 S+ 0 0 69 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.200 78.3 138.1-103.7 13.3 2.6 78.1 32.0 76 94 E Y < - 0 0 49 -3,-2.3 2,-0.6 9,-0.1 7,-0.2 -0.392 39.6-155.5 -59.8 134.7 4.7 78.0 28.8 77 95 E N > - 0 0 69 5,-2.2 4,-2.1 1,-0.1 5,-0.3 -0.966 9.3-162.3-117.7 114.7 7.2 81.0 28.9 78 96 E S T 4 S+ 0 0 79 -2,-0.6 183,-0.3 2,-0.2 -1,-0.1 0.667 90.3 48.5 -71.2 -17.2 8.3 82.1 25.5 79 97 E N T 4 S+ 0 0 58 181,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.926 123.7 26.6 -87.0 -49.9 11.2 84.0 27.0 80 98 E T T 4 S- 0 0 64 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.632 95.8-133.2 -87.1 -16.3 12.7 81.4 29.3 81 99 E L >< + 0 0 3 -4,-2.1 3,-0.8 1,-0.3 -3,-0.1 0.581 51.1 154.1 72.3 12.9 11.4 78.4 27.3 82 100 E N T 3 + 0 0 35 -5,-0.3 -5,-2.2 1,-0.2 -1,-0.3 -0.473 62.9 18.4 -73.1 141.4 10.1 76.8 30.5 83 101 E N T 3 S+ 0 0 20 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.869 76.7 175.1 65.1 42.1 7.2 74.4 30.0 84 102 E D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.1 -1,-0.2 -0.517 33.4 116.0 -80.9 76.1 7.9 74.0 26.3 85 103 E I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.995 37.0 179.8-146.7 145.0 5.2 71.4 25.7 86 104 E M E -NP 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.996 17.5-142.9-149.6 145.8 2.0 71.2 23.6 87 105 E L E -NP 36 71C 0 -16,-2.8 -16,-3.7 -2,-0.3 2,-0.5 -0.914 12.5-161.4-111.6 136.6 -0.7 68.7 22.8 88 106 E I E -NP 35 70C 0 -53,-3.0 -53,-2.4 -2,-0.4 2,-0.5 -0.979 6.6-151.3-121.6 121.9 -2.3 68.4 19.4 89 107 E K E -NP 34 69C 37 -20,-2.8 -21,-2.9 -2,-0.5 -20,-1.3 -0.801 20.0-129.1 -92.8 131.3 -5.6 66.7 19.0 90 108 E L E - 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