==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-99 1C5Q . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,R.MACKMAN,C.LUONG,K.RADIKA,A.MARTELLI, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 69 30.9 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 . 4 1.8 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 . 4 3 1 5 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 130.0 52.9 -3.7 25.6 2 17 A V B +A 171 0A 12 169,-3.0 169,-2.1 1,-0.2 123,-0.1 -0.887 360.0 6.5-107.6 136.4 52.8 -7.4 24.6 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.709 101.5 123.5 66.2 27.4 55.0 -8.5 21.8 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.232 54.9-118.1-102.6-166.7 56.7 -5.1 21.4 5 20 A Y E -B 137 0B 93 132,-2.4 132,-2.9 -2,-0.1 2,-0.4 -0.869 34.6 -86.6-131.2 164.7 60.4 -4.0 21.5 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.604 36.0-147.9 -73.4 122.7 62.5 -1.7 23.8 7 22 A a - 0 0 18 128,-1.9 -1,-0.1 -2,-0.4 129,-0.1 0.866 35.1-113.3 -60.3 -42.4 62.1 1.8 22.3 8 23 A G > - 0 0 29 127,-0.4 3,-1.7 4,-0.0 4,-0.3 0.030 49.8 -56.3 111.8 141.1 65.6 3.1 23.2 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.251 117.5 -11.4 -56.5 126.5 66.1 5.9 25.8 10 25 A N T 3 S+ 0 0 37 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.646 89.3 128.1 57.3 26.8 64.2 9.0 25.0 11 26 A T S < S+ 0 0 80 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.553 75.9 49.6 -84.3 -6.7 63.2 8.1 21.4 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.676 73.4 174.3-127.8 73.2 59.6 8.9 22.3 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.577 72.4 56.9 -65.4 -12.8 60.1 12.4 23.8 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.483 81.1 108.5 -96.4 -5.8 56.4 13.2 24.2 15 30 A Q E < -J 28 0C 7 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.516 47.9-174.8 -73.9 135.1 55.6 10.1 26.3 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.0 -2,-0.2 2,-0.4 -0.866 19.6-138.1-127.2 163.9 54.9 10.8 30.0 17 32 A S E -JK 26 49C 0 32,-1.9 32,-2.7 -2,-0.3 2,-0.5 -0.978 14.0-143.1-120.2 133.0 54.3 8.5 33.1 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.3 -2,-0.4 7,-1.1 -0.876 28.5-169.6 -99.8 127.9 51.5 9.5 35.5 19 34 A N E +JK 23 47C 16 28,-2.6 28,-2.0 -2,-0.5 4,-0.2 -0.971 35.1 167.5-127.9 137.5 52.7 8.6 39.0 20 37 A S S S- 0 0 38 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.368 96.5 -46.9-137.7 47.6 51.2 8.3 42.5 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.452 139.4 29.5 98.9 0.9 54.0 6.5 44.2 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.914 102.3 -82.5-175.5 164.4 54.2 4.0 41.3 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.698 50.3 158.4 -81.1 125.7 53.4 4.2 37.5 24 41 A F E + 0 0 29 -6,-2.3 2,-0.3 -2,-0.4 151,-0.2 0.607 60.1 7.2-124.0 -21.7 49.7 3.8 36.9 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-2.9 151,-0.1 -1,-0.4 -0.977 59.4-129.4-154.8 166.4 49.1 5.4 33.4 26 43 A G E +J 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.489 26.4 173.9-107.9 178.5 50.8 6.9 30.3 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.3 -2,-0.2 2,-0.4 -0.955 26.0-112.1-172.9 174.7 50.0 10.3 28.6 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.985 18.3-132.4-128.4 135.1 51.3 12.6 25.8 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.2 -2,-0.4 6,-0.2 -0.730 26.2 173.6 -83.3 122.4 52.8 16.1 26.1 30 47 A I - 0 0 20 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.605 69.0 -9.1-107.8 -12.5 51.0 18.4 23.6 31 48 A N S S- 0 0 49 3,-1.1 3,-0.5 70,-0.1 -1,-0.3 -0.895 92.7 -77.3-163.0-179.3 52.6 21.8 24.6 32 49 A S S S+ 0 0 46 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.634 126.4 30.5 -71.6 -9.8 54.8 22.8 27.6 33 50 A Q S S+ 0 0 60 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.444 109.7 68.1-125.7 1.6 52.1 23.0 30.2 34 51 A W E - M 0 89C 10 -3,-0.5 -4,-2.1 55,-0.2 -3,-1.1 -0.977 47.7-173.4-132.1 144.8 49.5 20.4 29.1 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.937 14.8-145.5-126.9 145.8 49.2 16.6 28.8 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.920 33.2 147.8-112.6 137.1 46.4 14.5 27.2 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.3 -0.738 49.5 -67.5-148.2-165.7 45.6 11.1 28.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.753 32.4-130.4 -99.7 143.6 42.5 8.8 29.3 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.816 107.0 63.9 -60.9 -31.9 39.6 9.8 31.6 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.514 92.3 64.7 -74.7 1.4 39.8 6.4 33.3 41 58 A b G < S+ 0 0 3 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.395 77.4 129.9 -98.2 -0.9 43.3 7.3 34.5 42 59 A Y < + 0 0 124 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.0 -0.265 21.0 128.3 -60.2 139.4 41.8 10.1 36.6 43 60 A K - 0 0 57 3,-0.0 3,-0.3 0, 0.0 2,-0.3 -0.940 54.5 -99.0-172.5 171.2 42.8 10.3 40.4 44 61 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.688 96.1 46.3-102.9 160.5 44.1 12.9 42.7 45 62 A G S S+ 0 0 65 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.883 72.5 166.0 78.2 41.2 47.8 13.2 43.6 46 63 A I - 0 0 11 -3,-0.3 21,-2.1 21,-0.1 2,-0.5 -0.756 19.6-170.0 -95.0 133.1 49.2 12.8 40.1 47 64 A Q E -KN 19 66C 53 -28,-2.0 -28,-2.6 -2,-0.4 2,-0.5 -0.977 18.1-140.6-117.6 130.9 52.8 13.7 39.5 48 65AA V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.842 12.5-157.7 -97.6 129.8 53.7 13.8 35.8 49 65 A R E -KN 17 64C 51 -32,-2.7 -32,-1.9 -2,-0.5 3,-0.3 -0.946 12.4-175.7-115.9 112.0 57.1 12.4 35.0 50 66 A L E + N 0 63C 1 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.617 59.9 31.7-102.2 159.6 58.7 13.5 31.7 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.718 83.8 151.2 64.0 29.3 62.0 12.4 30.1 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.525 24.5 151.8 -92.6 154.0 61.8 8.9 31.4 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.8 4,-0.2 -1,-0.2 0.207 82.4 34.2-138.0 -80.6 63.1 5.6 30.1 54 72 A N S > S- 0 0 23 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.722 73.0-162.2 -80.2 112.1 63.7 3.4 33.2 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.575 86.2 52.5 -73.7 -6.7 60.9 4.5 35.6 56 74 A N T 3 S+ 0 0 119 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.456 105.5 57.0-105.1 -3.7 62.7 3.0 38.6 57 75 A V S < S- 0 0 70 -3,-1.0 2,-0.8 76,-0.2 -4,-0.2 -0.992 75.7-133.4-127.0 135.9 66.1 4.7 38.2 58 76 A V + 0 0 116 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.802 37.0 164.3 -88.3 112.7 66.8 8.5 38.0 59 77 A E - 0 0 107 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.533 54.7 -91.5-105.5 -13.7 69.2 8.4 34.9 60 78 A G S S+ 0 0 33 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.153 102.3 70.3 111.1 154.3 69.1 12.1 34.1 61 79 A N + 0 0 69 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.179 69.3 131.3 90.4 -11.8 66.6 14.0 31.8 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.407 36.7-171.4 -73.9 148.1 63.7 13.5 34.1 63 81 A Q E -N 50 0C 35 -13,-1.8 -13,-2.9 -2,-0.1 2,-0.6 -0.986 6.6-161.4-138.3 124.0 61.4 16.4 35.0 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.962 18.4 171.1-111.7 115.8 58.8 15.6 37.8 65 83 A I E -N 48 0C 22 -17,-2.8 -17,-3.2 -2,-0.6 2,-0.1 -0.989 29.0-126.3-130.7 135.3 56.0 18.2 37.8 66 84 A S E -N 47 0C 50 -2,-0.4 25,-2.7 -19,-0.2 26,-0.3 -0.488 28.7-112.0 -78.6 151.9 52.8 18.0 39.8 67 85 A A E -O 90 0C 23 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.629 19.8-162.9 -80.9 140.8 49.5 18.4 38.0 68 86 A S E S- 0 0 79 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.830 74.8 -8.7 -91.6 -42.5 47.6 21.6 38.8 69 87 A K E -O 89 0C 86 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.988 56.3-148.0-154.4 152.9 44.2 20.3 37.5 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.982 13.0-158.9-122.5 131.9 42.9 17.3 35.6 71 89 A I E -O 87 0C 34 16,-3.2 16,-2.1 -2,-0.4 2,-0.3 -0.923 4.2-162.2-119.1 101.5 39.9 17.9 33.3 72 90 A V E -O 86 0C 47 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.616 40.7 -94.1 -80.0 140.5 37.9 14.7 32.5 73 91 A H > - 0 0 23 12,-2.0 3,-1.8 10,-0.3 -1,-0.1 -0.333 33.4-128.3 -56.8 133.2 35.7 15.2 29.4 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.799 107.0 48.4 -56.3 -31.8 32.2 16.2 30.8 75 93 A S T 3 S+ 0 0 78 2,-0.1 2,-0.2 8,-0.1 -2,-0.1 0.107 77.6 139.4 -98.8 21.8 30.4 13.4 28.7 76 94 A Y < - 0 0 58 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.495 36.8-160.4 -66.7 133.3 32.8 10.6 29.8 77 95 A N B >> -P 82 0D 63 5,-2.0 4,-2.6 -2,-0.2 5,-0.5 -0.963 7.1-163.0-116.6 110.6 30.8 7.4 30.4 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.653 87.4 56.8 -72.5 -10.4 32.8 4.9 32.6 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.868 124.0 20.0 -86.5 -38.5 30.5 2.0 31.6 80 98 A T T 45S- 0 0 67 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.654 94.9-132.8-101.1 -17.4 31.0 2.3 27.9 81 99 A L T ><5 + 0 0 34 -4,-2.6 3,-0.8 1,-0.3 2,-0.2 0.652 48.3 159.0 70.5 24.7 34.3 4.3 28.0 82 100 A N B 3 < +P 77 0D 34 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.581 66.1 18.0 -76.3 141.3 32.9 6.7 25.4 83 101 A N T 3 S+ 0 0 20 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.880 79.8 174.5 63.7 45.2 34.7 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.488 31.8 115.3 -82.6 75.0 37.7 8.5 27.3 85 103 A I - 0 0 0 -2,-2.1 -12,-2.0 -47,-0.3 2,-0.3 -0.991 37.3-178.5-143.2 147.1 40.0 11.6 27.3 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.989 15.2-146.8-145.4 145.2 41.4 13.8 30.0 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.2 -2,-0.3 2,-0.4 -0.911 11.5-161.1-114.2 140.5 43.6 16.9 29.9 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.4 -2,-0.4 2,-0.4 -0.992 6.2-151.4-124.3 130.6 46.1 17.7 32.7 89 107 A K E -MO 34 69C 44 -20,-2.7 -21,-3.1 -2,-0.4 -20,-1.1 -0.850 20.8-129.7-100.9 137.1 47.6 21.1 33.3 90 108 A L E - O 0 67C 0 -57,-3.0 -23,-0.2 -2,-0.4 -24,-0.1 -0.595 11.0-126.6 -87.5 149.0 51.1 21.2 34.8 91 109 A K S S+ 0 0 132 -25,-2.7 2,-0.3 -2,-0.2 -1,-0.1 0.878 97.6 8.6 -61.6 -40.3 51.9 23.3 37.9 92 110 A S S S- 0 0 75 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.929 96.1 -93.4-134.5 161.6 54.9 24.9 35.9 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.431 40.3-116.1 -75.8 153.7 55.8 24.5 32.3 94 112 A A - 0 0 9 -62,-2.8 2,-0.8 -2,-0.1 -1,-0.1 -0.500 23.6-114.7 -85.2 158.8 58.3 21.8 31.3 95 113 A S - 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