==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-00 1F0U . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.MAIGNAN,J.P.GUILLOTEAU,S.POUZIEUX,Y.M.CHOI-SLEDESKI, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 70 31.4 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 . 3 1.3 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 . 3 2 1 6 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.0 12.3 5.0 26.5 2 17 A V B +A 171 0A 9 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.876 360.0 5.3 -98.9 129.7 8.6 4.8 27.4 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.744 102.6 121.5 74.9 22.8 7.4 7.1 30.3 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.078 55.3-115.0-100.4-156.6 10.7 8.9 30.7 5 20 A Y E -B 137 0B 101 132,-2.1 132,-2.7 -3,-0.1 2,-0.4 -0.940 34.6 -86.4-140.7 159.3 11.9 12.5 30.5 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.542 36.4-149.7 -67.6 122.3 14.2 14.6 28.3 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.4 129,-0.1 0.899 34.9-113.5 -60.6 -41.4 17.6 14.2 29.8 8 23 A G > - 0 0 28 127,-0.5 3,-1.8 -3,-0.0 4,-0.3 0.061 48.6 -57.7 106.2 135.0 19.0 17.7 28.8 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.191 117.3 -9.7 -56.1 127.2 21.8 18.1 26.3 10 25 A N T 3 S+ 0 0 35 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.651 90.5 125.6 60.3 24.2 25.0 16.3 27.1 11 26 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.580 76.1 48.5 -84.3 -9.1 23.9 15.4 30.7 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.6 87,-0.1 -1,-0.3 -0.735 74.2 174.1-123.4 78.2 24.7 11.7 29.9 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.618 71.4 57.0 -72.5 -12.5 28.2 12.2 28.3 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.482 79.9 113.3 -92.7 -7.4 29.0 8.5 27.9 15 30 A Q E < -J 28 0C 5 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.509 48.2-167.2 -72.8 135.0 25.9 7.7 25.8 16 31 A V E -JK 27 50C 0 11,-2.2 11,-1.1 -2,-0.2 2,-0.4 -0.870 14.7-145.7-119.7 147.8 26.7 6.8 22.2 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.8 -2,-0.3 2,-0.5 -0.969 13.7-145.8-111.2 131.5 24.4 6.5 19.1 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.3 -2,-0.4 7,-1.0 -0.879 25.3-170.6 -98.6 128.0 25.3 3.8 16.6 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.4 -2,-0.5 4,-0.2 -0.951 35.3 167.0-129.0 134.6 24.5 4.9 13.1 20 37 A S S S- 0 0 38 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.328 97.6 -48.5-133.4 50.2 24.3 3.4 9.7 21 38 A G S S+ 0 0 69 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.456 139.1 33.0 93.1 3.4 22.5 6.3 7.9 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.899 101.5 -85.1-174.6 157.0 20.0 6.3 10.8 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.639 50.4 158.0 -74.0 126.7 20.1 5.6 14.6 24 41 A F E + 0 0 30 -6,-2.3 2,-0.3 -2,-0.4 151,-0.2 0.592 59.3 3.9-125.2 -19.0 19.7 1.8 15.3 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.989 61.4-125.1-159.9 158.0 21.2 1.2 18.7 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.379 25.5 178.0 -95.4-177.6 22.8 2.8 21.7 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 10,-0.1 2,-0.4 -0.970 24.0-116.1-169.9 174.5 26.2 2.2 23.4 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.5 -2,-0.3 2,-0.5 -0.992 18.7-132.2-130.0 133.3 28.4 3.4 26.2 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.711 26.5 173.9 -81.5 122.4 31.9 4.9 25.9 30 47 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.581 68.2 -9.5-108.5 -13.6 34.2 3.1 28.5 31 48 A N E > S- L 0 34C 54 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.935 91.6 -75.4-160.4-175.8 37.5 4.8 27.4 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.667 127.4 26.8 -67.0 -11.7 38.7 7.0 24.6 33 50 A Q T 3 S+ 0 0 57 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.408 109.6 71.9-127.5 5.5 38.8 4.2 22.0 34 51 A W E < -LM 31 89C 9 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.2 -0.973 48.2-170.9-135.0 139.3 36.2 1.6 23.1 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.4 -0.944 13.4-147.0-120.8 139.8 32.4 1.4 23.2 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.2 -2,-0.4 51,-0.2 -0.915 33.8 146.0-104.9 133.3 30.3 -1.4 24.9 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.714 50.3 -69.0-143.9-165.1 26.9 -2.3 23.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.765 32.6-130.6 -95.9 142.9 24.7 -5.3 22.7 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.830 106.8 62.0 -59.6 -30.6 25.7 -8.2 20.4 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.564 92.6 66.9 -77.1 -2.4 22.4 -8.2 18.7 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.463 77.3 128.2 -87.0 -3.5 23.2 -4.6 17.5 42 59 A Y < + 0 0 126 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.0 -0.231 21.0 133.6 -58.6 135.0 26.0 -6.0 15.4 43 60 A K - 0 0 55 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.950 52.9-100.8-163.0 167.6 26.2 -5.0 11.7 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.596 96.6 45.5 -90.7 160.0 28.9 -3.8 9.4 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.910 73.1 169.6 79.1 40.7 29.3 -0.1 8.5 46 63 A I - 0 0 10 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.755 18.9-168.3 -90.9 127.6 28.9 1.3 12.0 47 64 A Q E -KN 19 66C 54 -28,-2.4 -28,-2.7 -2,-0.5 2,-0.5 -0.970 17.3-141.4-108.7 127.3 29.6 5.0 12.6 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.6 -2,-0.5 2,-0.6 -0.786 12.2-157.9 -89.1 126.4 29.8 5.9 16.3 49 66 A R E -KN 17 64C 48 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.921 12.7-175.6-114.4 113.1 28.2 9.2 17.1 50 67 A L E +KN 16 63C 0 13,-2.8 13,-1.9 -2,-0.6 -34,-0.1 -0.672 60.1 28.4-101.6 154.8 29.4 10.8 20.4 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.688 84.7 156.4 70.5 20.9 28.3 14.0 22.1 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.479 23.1 149.5 -80.6 144.7 24.8 13.8 20.7 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.9 4,-0.2 -1,-0.2 0.303 80.1 33.6-128.9 -76.0 21.5 15.2 21.9 54 72 A N S > S- 0 0 22 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.724 72.8-163.1 -78.9 111.8 19.3 15.9 18.9 55 73 A I T 3 S+ 0 0 27 78,-2.4 -1,-0.2 -2,-0.9 79,-0.1 0.594 84.0 52.9 -74.6 -7.5 20.3 13.1 16.5 56 74 A N T 3 S+ 0 0 112 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.558 105.0 54.1-101.7 -7.8 18.8 14.8 13.5 57 75 A V S < S- 0 0 76 -3,-0.9 2,-0.8 76,-0.1 -4,-0.2 -0.972 78.0-127.0-125.1 136.0 20.4 18.2 13.7 58 76 A V + 0 0 117 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.766 40.4 163.5 -79.9 113.5 24.2 19.1 13.9 59 77 A E - 0 0 105 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.518 52.7 -90.4-106.2 -12.0 24.2 21.3 17.1 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.172 101.4 65.4 106.4 152.7 27.9 21.3 18.0 61 79 A N S S+ 0 0 78 1,-0.3 2,-0.1 -2,-0.1 -9,-0.0 0.289 70.1 132.8 79.5 -3.5 29.8 18.9 20.3 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.458 36.5-168.6 -75.2 146.9 29.3 15.9 18.1 63 81 A Q E -N 50 0C 35 -13,-1.9 -13,-2.8 -2,-0.1 2,-0.6 -0.983 4.7-162.1-132.5 123.8 32.2 13.6 17.1 64 82 A F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.940 17.3 171.1-108.1 121.0 31.5 11.1 14.4 65 83 A I E -N 48 0C 19 -17,-2.6 -17,-3.0 -2,-0.6 2,-0.1 -0.994 29.5-123.2-134.6 131.5 34.1 8.2 14.4 66 84 A S E -N 47 0C 56 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.413 27.2-115.4 -69.2 148.2 34.0 5.0 12.3 67 85 A A E -O 90 0C 24 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.662 22.2-166.7 -75.5 131.9 34.2 1.7 14.1 68 86 A S E S- 0 0 68 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.742 73.0 -4.1 -91.9 -25.5 37.4 -0.1 13.1 69 87 A K E -O 89 0C 87 20,-1.2 20,-2.6 2,-0.0 2,-0.4 -0.964 56.8-151.4-160.3 149.1 36.2 -3.5 14.5 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.992 11.5-159.6-123.1 128.8 33.3 -4.9 16.4 71 89 A I E -O 87 0C 32 16,-3.0 16,-2.1 -2,-0.4 2,-0.2 -0.899 4.7-161.5-113.8 100.4 33.8 -7.9 18.7 72 90 A V E -O 86 0C 45 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.613 40.7 -93.9 -75.3 140.6 30.6 -9.9 19.4 73 91 A H > - 0 0 24 12,-2.0 3,-2.0 10,-0.3 -1,-0.1 -0.364 33.9-128.8 -55.7 131.2 31.0 -12.1 22.5 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.739 106.2 48.5 -59.8 -23.0 32.1 -15.6 21.1 75 93 A S T 3 S+ 0 0 75 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.205 77.2 135.9-102.7 15.7 29.3 -17.3 23.2 76 94 A Y < - 0 0 56 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.417 38.6-159.4 -61.8 134.8 26.5 -15.0 22.2 77 95 A N B >> -P 82 0D 72 5,-2.0 4,-2.2 1,-0.1 5,-0.6 -0.963 9.2-160.6-120.8 116.0 23.3 -17.0 21.3 78 96 A S T 45S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.656 88.9 56.2 -73.1 -12.6 20.8 -15.2 19.2 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.856 123.9 21.8 -83.9 -35.4 17.9 -17.5 20.2 80 98 A T T 45S- 0 0 71 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.590 95.4-132.9-102.7 -14.1 18.3 -17.0 23.9 81 99 A L T ><5 + 0 0 38 -4,-2.2 3,-0.7 1,-0.2 2,-0.2 0.654 49.2 158.7 60.8 23.2 20.1 -13.6 23.8 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-2.0 1,-0.2 -1,-0.2 -0.534 62.9 18.6 -73.7 142.6 22.5 -15.0 26.4 83 101 A N T 3 S+ 0 0 20 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.900 78.1 175.7 60.6 46.7 25.9 -13.1 26.4 84 102 A D < + 0 0 1 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.513 33.0 113.4 -84.8 77.7 24.4 -10.1 24.6 85 103 A I - 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