==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-99 1QB1 . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.WHITLOW . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9356.0 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 . 68 30.5 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 . 18 8.1 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 3 0 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 7 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.2 12.2 26.9 7.9 2 8 A V B +A 171 0A 8 169,-3.3 169,-1.9 1,-0.2 123,-0.1 -0.896 360.0 7.9-107.1 131.4 8.5 27.0 6.9 3 9 A G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.703 101.7 122.9 73.0 22.4 7.4 24.8 4.0 4 10 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.013 54.0-116.7 -96.5-162.5 10.7 23.0 3.7 5 11 A Y E -B 137 0B 91 132,-2.3 132,-2.9 -3,-0.1 2,-0.5 -0.921 35.5 -85.0-138.7 160.1 11.8 19.4 3.8 6 12 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.594 35.6-150.5 -69.2 121.9 14.0 17.2 6.0 7 13 A a - 0 0 15 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.864 35.0-116.7 -60.6 -44.8 17.6 17.7 4.7 8 14 A G > - 0 0 28 127,-0.5 3,-1.7 -3,-0.0 4,-0.3 0.152 48.2 -56.4 106.9 136.6 18.8 14.2 5.7 9 15 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.192 117.9 -9.5 -53.2 130.0 21.6 13.7 8.3 10 16 A N T 3 S+ 0 0 32 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.670 90.5 126.0 54.0 31.1 24.9 15.5 7.5 11 17 A T S < S+ 0 0 84 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.539 75.2 49.0 -84.2 -15.5 23.8 16.5 4.0 12 18 A V S > S+ 0 0 7 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.743 74.1 175.9-122.9 77.2 24.6 20.2 4.8 13 19 A P T 3 S+ 0 0 33 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.556 72.8 55.7 -63.4 -18.0 28.1 19.7 6.3 14 20 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.392 80.2 113.2 -94.3 -1.0 28.8 23.4 6.7 15 21 A Q E < -J 28 0C 6 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.544 46.8-171.3 -72.9 132.8 25.7 24.0 8.9 16 22 A V E -JK 27 50C 1 11,-2.4 11,-1.1 -2,-0.3 2,-0.5 -0.887 17.5-142.1-124.8 152.7 26.4 24.9 12.5 17 23 A S E -JK 26 49C 1 32,-2.5 32,-3.2 -2,-0.3 2,-0.5 -0.964 13.7-144.0-109.6 130.4 24.1 25.3 15.5 18 24 A L E -JK 25 48C 0 7,-3.3 6,-2.5 -2,-0.5 7,-1.0 -0.879 27.3-168.4 -94.3 127.5 25.0 28.2 18.0 19 25 A N E +JK 23 47C 15 28,-2.9 28,-2.5 -2,-0.5 4,-0.2 -0.971 35.5 165.8-127.6 133.4 24.2 26.9 21.4 20 26 A S S S- 0 0 36 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.353 96.8 -50.7-134.0 47.7 23.9 28.5 24.9 21 27 A G S S+ 0 0 72 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.529 138.9 36.2 93.9 5.9 22.1 25.6 26.6 22 28 A Y S S- 0 0 129 -4,-0.0 -2,-2.4 0, 0.0 2,-0.4 -0.845 101.6 -86.6-175.7 154.7 19.6 25.6 23.7 23 29 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.605 50.6 157.8 -74.6 129.0 19.8 26.3 19.9 24 30 A F E + 0 0 30 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.603 57.6 3.8-127.8 -17.4 19.4 30.0 19.2 25 31 A b E -J 18 0C 7 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.977 60.6-124.4-162.7 160.7 21.0 30.7 15.8 26 32 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.381 26.7 176.0 -97.6 178.8 22.6 29.0 12.8 27 33 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.968 24.6-114.4-171.3 174.3 25.9 29.7 11.2 28 34 A S E -JL 15 36C 1 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.988 18.3-130.7-128.8 134.7 28.3 28.5 8.4 29 35 A L E + L 0 35C 0 -15,-2.5 74,-2.4 -2,-0.4 6,-0.2 -0.650 29.0 170.4 -82.6 121.8 31.7 26.9 8.7 30 36 A I - 0 0 18 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.625 67.5 -6.1-109.3 -16.6 34.1 28.8 6.3 31 37 A N S S- 0 0 52 3,-1.2 3,-0.5 70,-0.1 -1,-0.3 -0.904 90.3 -79.2-159.5-178.7 37.4 27.2 7.4 32 38 A S S S+ 0 0 36 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.658 128.6 27.3 -66.6 -14.5 38.5 24.9 10.2 33 39 A Q S S+ 0 0 75 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.429 109.9 71.6-127.7 1.5 38.5 27.7 12.7 34 40 A W E - M 0 89C 11 -3,-0.5 -4,-2.7 55,-0.2 -3,-1.2 -0.964 46.5-173.9-132.7 138.7 35.9 30.2 11.6 35 41 A V E -LM 29 88C 0 53,-2.7 53,-2.9 -2,-0.4 2,-0.4 -0.957 15.2-145.6-118.6 144.5 32.2 30.4 11.4 36 42 A V E +LM 28 87C 1 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.909 33.0 146.4-110.2 138.6 30.1 33.2 9.8 37 43 A S E - M 0 86C 0 49,-2.8 49,-2.5 -2,-0.4 2,-0.4 -0.702 49.9 -67.5-146.1-166.8 26.7 34.1 11.4 38 44 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.732 31.5-131.8 -95.7 143.8 24.5 37.2 11.9 39 45 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.850 106.8 65.2 -59.0 -33.2 25.5 40.1 14.2 40 46 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.624 93.2 62.8 -69.4 -6.1 22.0 40.0 15.8 41 47 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.365 76.5 130.2 -93.1 -3.9 22.9 36.5 17.1 42 48 A Y < + 0 0 128 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.280 22.0 136.8 -59.0 136.5 25.8 37.8 19.2 43 49 A K - 0 0 57 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.957 51.4-101.6-164.3 163.8 25.8 36.8 22.8 44 50 A S S S+ 0 0 102 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.603 96.8 41.2 -89.2 163.6 28.5 35.7 25.3 45 51 A G S S+ 0 0 64 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.911 74.7 171.4 70.6 47.0 28.9 32.0 26.2 46 52 A I - 0 0 9 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.776 18.8-166.3 -92.6 134.2 28.5 30.6 22.7 47 53 A Q E -KN 19 66C 53 -28,-2.5 -28,-2.9 -2,-0.5 2,-0.5 -0.961 15.8-142.5-112.8 127.5 29.2 26.9 22.1 48 54 A V E -KN 18 65C 0 17,-3.7 17,-2.9 -2,-0.5 2,-0.6 -0.843 11.6-158.6 -91.9 127.9 29.4 26.0 18.3 49 55 A R E -KN 17 64C 50 -32,-3.2 -32,-2.5 -2,-0.5 3,-0.3 -0.961 12.5-175.0-113.5 114.3 27.9 22.6 17.5 50 56 A L E +KN 16 63C 2 13,-3.0 13,-2.0 -2,-0.6 -34,-0.1 -0.692 60.7 27.1-103.5 156.2 29.1 21.1 14.2 51 57 A G S S+ 0 0 5 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.697 84.3 157.0 67.6 22.2 28.0 17.9 12.4 52 58 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.542 22.2 151.8 -82.7 148.4 24.5 18.1 13.9 53 59 A D S S+ 0 0 14 1,-0.4 2,-0.9 4,-0.2 -1,-0.2 0.325 80.9 31.2-127.5 -80.9 21.3 16.6 12.6 54 60 A N S > S- 0 0 23 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.732 73.2-163.3 -81.0 114.5 19.0 15.9 15.6 55 61 A I T 3 S+ 0 0 27 78,-2.6 -1,-0.2 -2,-0.9 79,-0.1 0.546 84.0 54.8 -78.1 -4.6 20.0 18.8 18.0 56 62 A N T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.504 105.3 54.1-102.9 -8.4 18.4 17.1 21.0 57 63 A V S < S- 0 0 75 -3,-0.9 2,-0.9 76,-0.2 -4,-0.2 -0.984 77.5-127.0-128.8 139.4 20.2 13.7 20.8 58 64 A V + 0 0 117 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.764 40.6 161.2 -82.4 110.4 23.9 12.8 20.6 59 65 A E - 0 0 102 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.533 53.3 -94.4-107.5 -12.8 23.9 10.6 17.5 60 66 A G S S+ 0 0 32 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.108 100.6 68.8 106.8 155.6 27.6 10.7 16.6 61 67 A N S S+ 0 0 58 1,-0.3 2,-0.2 -2,-0.1 -9,-0.0 0.208 70.9 129.5 85.3 -13.0 29.5 13.0 14.2 62 68 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.476 39.2-167.4 -75.6 149.9 28.9 16.0 16.5 63 69 A Q E -N 50 0C 38 -13,-2.0 -13,-3.0 -2,-0.2 2,-0.6 -0.993 6.0-159.1-132.5 119.4 31.8 18.3 17.5 64 70 A F E +N 49 0C 84 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.929 18.6 171.5-105.5 119.8 31.2 20.8 20.3 65 71 A I E -N 48 0C 13 -17,-2.9 -17,-3.7 -2,-0.6 2,-0.1 -0.995 28.1-127.9-137.7 130.2 33.6 23.7 20.4 66 72 A S E -N 47 0C 61 -2,-0.4 25,-2.8 -19,-0.3 2,-0.3 -0.375 29.7-111.6 -71.2 151.1 33.5 26.9 22.4 67 73 A A E -O 90 0C 25 -21,-2.3 23,-0.2 23,-0.2 3,-0.1 -0.695 22.2-165.4 -81.1 132.8 33.8 30.2 20.7 68 74 A S E S- 0 0 60 21,-3.4 2,-0.3 1,-0.4 22,-0.2 0.789 74.5 -8.2 -86.8 -39.6 37.1 32.0 21.5 69 75 A K E -O 89 0C 91 20,-1.2 20,-2.6 2,-0.0 2,-0.4 -0.972 57.8-147.1-157.7 149.2 35.9 35.4 20.2 70 76 A S E -O 88 0C 34 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.987 13.4-158.5-120.4 127.3 32.9 36.7 18.3 71 77 A I E -O 87 0C 33 16,-3.8 16,-2.6 -2,-0.4 2,-0.3 -0.925 4.0-163.8-114.7 102.7 33.5 39.7 15.9 72 78 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.626 39.9 -95.8 -79.5 136.4 30.4 41.7 15.2 73 79 A H > - 0 0 24 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.309 32.5-128.7 -55.9 134.3 30.9 44.0 12.1 74 80 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.741 106.3 48.1 -58.6 -23.6 31.9 47.4 13.5 75 81 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.209 77.1 136.2-103.7 14.5 29.2 49.1 11.4 76 82 A Y < - 0 0 56 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.424 39.9-157.1 -61.9 134.6 26.3 46.8 12.4 77 83 A N B >>> -P 82 0D 62 5,-2.1 4,-3.5 1,-0.1 3,-0.9 -0.946 9.9-162.8-120.1 109.2 23.2 48.8 13.1 78 84 A S T 345S+ 0 0 85 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.654 89.8 57.5 -64.4 -17.6 20.7 47.0 15.3 79 85 A N T 345S+ 0 0 142 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.792 124.5 18.6 -81.7 -36.3 17.9 49.4 14.3 80 86 A T T <45S- 0 0 68 -3,-0.9 -2,-0.2 2,-0.2 77,-0.1 0.497 93.4-130.5-109.3 -17.5 18.2 48.7 10.6 81 87 A L T ><5 + 0 0 33 -4,-3.5 3,-0.8 1,-0.3 -3,-0.2 0.603 50.7 157.8 70.5 16.4 20.0 45.4 10.6 82 88 A N B 3 < +P 77 0D 37 -5,-0.7 -5,-2.1 1,-0.2 -1,-0.3 -0.592 66.4 17.8 -70.2 141.9 22.5 46.9 8.0 83 89 A N T 3 S+ 0 0 19 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.890 79.5 177.3 63.1 44.2 25.8 44.9 8.1 84 90 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.578 34.3 115.7 -83.1 78.4 24.2 42.0 9.9 85 91 A I - 0 0 0 -2,-1.9 -12,-2.3 -47,-0.3 2,-0.3 -0.996 37.6-179.3-150.1 139.7 27.3 39.8 9.9 86 92 A M E -MO 37 72C 0 -49,-2.5 -49,-2.8 -2,-0.3 2,-0.4 -0.989 16.7-143.7-141.6 145.7 29.5 38.3 12.6 87 93 A L E -MO 36 71C 0 -16,-2.6 -16,-3.8 -2,-0.3 2,-0.5 -0.900 13.2-160.9-110.1 138.3 32.6 36.2 12.6 88 94 A I E -MO 35 70C 0 -53,-2.9 -53,-2.7 -2,-0.4 2,-0.5 -0.991 5.1-152.6-125.2 126.1 33.2 33.5 15.3 89 95 A K E -MO 34 69C 58 -20,-2.6 -21,-3.4 -2,-0.5 -20,-1.2 -0.855 19.0-131.1 -96.7 125.7 36.6 32.1 16.0 90 96 A L E - O 0 67C 0 -57,-3.0 -23,-0.2 -2,-0.5 -24,-0.1 -0.572 10.5-130.5 -77.2 144.0 36.7 28.5 17.4 91 97 A K S S+ 0 0 161 -25,-2.8 2,-0.3 -2,-0.2 -1,-0.1 0.834 96.4 13.0 -59.9 -38.2 38.8 27.8 20.5 92 98 A S S S- 0 0 67 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.931 97.9 -90.4-134.4 157.2 40.3 24.8 18.6 93 99 A A - 0 0 49 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.391 40.8-116.9 -68.7 144.8 40.1 23.8 14.9 94 100 A A - 0 0 8 -62,-3.2 2,-0.8 -63,-0.1 -1,-0.1 -0.445 26.6-116.1 -72.9 152.9 37.2 21.6 13.8 95 101 A S - 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