==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 10-OCT-97 1XUH . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,J.M.CLARK,J.S.FINER-MOORE,T.E.JENKINS,C.R.JOHNSON,M . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 13 5.8 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 . 16 7.2 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 1 3 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.9 51.8 14.5 49.3 2 17 A V B +A 171 0A 8 169,-2.6 169,-1.9 1,-0.2 123,-0.1 -0.849 360.0 1.2 -93.4 126.7 54.0 14.8 52.4 3 18 A G S S+ 0 0 52 121,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.673 101.9 115.1 75.5 19.8 55.8 11.5 53.4 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.059 59.3-111.2 -96.2-153.3 54.5 9.3 50.5 5 20 A Y E -B 137 0B 94 132,-2.4 132,-2.7 -3,-0.1 2,-0.2 -0.939 34.4 -81.6-141.3 161.0 56.5 7.7 47.6 6 21 A T E -B 136 0B 81 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.478 40.7-149.6 -62.2 127.5 56.9 8.0 43.8 7 22 A a - 0 0 19 128,-2.4 -1,-0.1 -2,-0.2 129,-0.1 0.874 35.0-106.6 -69.8 -40.9 53.9 6.1 42.3 8 23 A G > - 0 0 27 127,-0.4 3,-2.2 4,-0.0 4,-0.4 0.065 49.5 -62.4 110.1 132.2 55.4 4.9 39.1 9 24 A A T 3 S- 0 0 51 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.194 117.6 -12.2 -47.7 123.7 54.5 6.3 35.7 10 25 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.743 90.9 128.1 49.6 34.3 50.9 5.8 34.9 11 26 A T S < S+ 0 0 81 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.570 78.2 48.7 -85.5 -11.6 50.3 3.4 37.8 12 27 A V S > S+ 0 0 8 -4,-0.4 3,-1.9 1,-0.1 -1,-0.3 -0.692 76.4 173.2-119.1 73.1 47.3 5.6 38.9 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.8 0, 0.0 38,-0.3 0.648 70.6 59.1 -69.6 -9.5 45.8 5.8 35.3 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.386 79.4 111.6 -91.9 -3.2 42.6 7.6 36.5 15 30 A Q E < -J 28 0C 7 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.616 48.9-167.1 -78.8 137.8 44.6 10.6 37.9 16 31 A V E -J 27 0C 1 11,-1.8 11,-0.9 -2,-0.3 2,-0.5 -0.829 15.1-142.6-121.1 151.3 44.1 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.989 14.7-145.7-112.6 129.9 46.1 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.2 -2,-0.5 7,-1.0 -0.853 24.8-171.8 -92.7 127.2 43.9 20.3 36.1 19 34 A N E +JK 23 47C 20 28,-3.1 28,-1.9 -2,-0.6 4,-0.2 -0.918 31.2 168.1-124.8 134.8 46.0 23.0 34.3 20 37 A S S S- 0 0 31 2,-2.4 26,-0.1 -2,-0.4 3,-0.1 -0.335 97.8 -43.5-135.0 57.3 45.4 26.7 33.6 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.322 141.4 23.9 100.4 -9.1 48.9 27.5 32.5 22 39 A Y S S- 0 0 133 -4,-0.1 -2,-2.4 0, 0.0 2,-0.2 -0.876 101.8 -80.9-169.4 160.7 50.3 25.4 35.3 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.512 51.4 157.7 -67.8 135.0 49.0 22.5 37.5 24 41 A F E + 0 0 35 -6,-2.2 151,-0.3 1,-0.5 2,-0.3 0.486 59.6 10.3-132.2 -16.9 46.8 23.8 40.3 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.5 -0.981 62.2-126.4-157.2 161.2 44.6 20.8 41.3 26 43 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.491 27.3 177.6-100.7 178.5 44.2 17.1 40.8 27 44 A G E -J 16 0C 0 -11,-0.9 -11,-1.8 -2,-0.2 2,-0.4 -0.939 24.5-116.5-167.0-179.6 41.0 15.3 39.7 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.5 -0.999 18.9-131.6-136.4 131.1 39.7 11.8 38.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.1 -2,-0.4 6,-0.2 -0.699 23.8 177.4 -83.1 125.8 38.4 10.5 35.5 30 47 A I E - 0 0 17 4,-2.6 2,-0.2 -2,-0.5 5,-0.2 0.510 67.7 -17.0-108.0 -7.6 35.1 8.8 36.0 31 48 A N E > S- L 0 34C 56 3,-1.1 3,-1.7 70,-0.1 -1,-0.4 -0.865 88.5 -74.3-176.3 169.1 34.4 7.9 32.3 32 49 A S T 3 S+ 0 0 39 1,-0.3 62,-2.5 -2,-0.2 60,-0.1 0.533 128.9 32.1 -54.4 -6.9 35.6 9.2 28.9 33 50 A Q T 3 S+ 0 0 86 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.521 110.5 67.4-124.0 -8.0 33.7 12.6 29.1 34 51 A W E < -LM 31 89C 7 -3,-1.7 -4,-2.6 55,-0.2 -3,-1.1 -0.941 46.6-177.0-133.5 133.7 33.7 13.3 32.8 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.3 -2,-0.4 2,-0.5 -0.941 14.2-151.0-118.7 140.9 36.1 14.3 35.6 36 53 A V E +LM 28 87C 1 -8,-2.8 -8,-2.2 -2,-0.4 51,-0.2 -0.960 30.4 147.6-109.4 135.2 35.3 14.8 39.2 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.1 -2,-0.5 2,-0.3 -0.726 49.1 -65.6-140.4-162.1 37.4 17.2 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.692 28.9-133.7 -95.4 148.6 36.9 19.6 44.2 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.870 108.1 62.2 -66.8 -29.6 34.7 22.8 44.2 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.649 97.1 62.3 -70.4 -8.0 37.4 24.8 45.9 41 58 A b G < S+ 0 0 3 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.383 76.3 133.3 -90.5 -2.9 39.5 24.0 42.7 42 59 A Y < + 0 0 130 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.294 22.0 150.4 -51.6 135.4 37.0 25.9 40.5 43 60 A K - 0 0 60 0, 0.0 2,-0.4 0, 0.0 3,-0.3 -0.934 46.6-114.2-154.6 163.8 38.5 28.2 37.9 44 61 A S S S+ 0 0 105 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.877 96.9 39.0-101.7 132.4 37.5 29.4 34.5 45 62 A G S S+ 0 0 64 -2,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.778 75.5 171.8 100.1 31.8 39.9 28.1 31.7 46 63 A I - 0 0 9 -3,-0.3 21,-1.7 -26,-0.1 2,-0.4 -0.488 19.4-165.9 -79.6 139.5 40.7 24.6 32.8 47 64 A Q E -KN 19 66C 48 -28,-1.9 -28,-3.1 19,-0.2 2,-0.5 -0.991 17.7-140.8-120.0 129.4 42.6 22.0 30.6 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.5 -2,-0.4 2,-0.6 -0.839 12.6-158.0 -95.1 124.7 42.4 18.5 31.8 49 66 A R E -KN 17 64C 48 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.938 13.9-179.8-111.9 110.3 45.7 16.6 31.5 50 67 A L E + N 0 63C 3 13,-2.7 13,-1.6 -2,-0.6 -34,-0.1 -0.647 59.9 33.3-100.6 159.3 45.4 12.8 31.4 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 48,-0.4 2,-0.2 0.689 84.6 154.0 70.4 18.1 48.2 10.1 31.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.552 23.6 151.6 -83.1 137.6 50.6 12.3 33.0 53 71 A D S S+ 0 0 17 1,-0.5 2,-0.7 4,-0.3 82,-0.2 0.389 80.9 27.8-116.1 -72.1 53.5 11.2 35.0 54 72 A N S > S- 0 0 30 3,-0.2 3,-1.0 80,-0.2 -1,-0.5 -0.794 72.0-157.1 -84.8 117.0 56.0 14.1 35.0 55 73 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.513 89.7 50.8 -75.9 1.0 53.8 17.3 34.5 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.416 105.2 57.5-113.6 -6.3 56.8 19.2 33.1 57 75 A V S < S- 0 0 73 -3,-1.0 2,-0.5 76,-0.2 -4,-0.3 -0.999 75.5-135.7-125.5 128.2 58.0 16.8 30.4 58 76 A V + 0 0 105 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.772 30.4 174.4 -80.4 129.9 55.8 15.4 27.5 59 77 A E - 0 0 104 -2,-0.5 -1,-0.1 -5,-0.1 -7,-0.0 0.376 54.0 -89.5-127.3 0.4 56.6 11.7 27.6 60 78 A G S S+ 0 0 62 2,-0.0 -2,-0.1 0, 0.0 -8,-0.1 -0.018 107.0 75.9 111.5 -24.1 54.4 10.2 25.1 61 79 A N + 0 0 59 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.487 63.2 108.9-108.3 11.9 51.2 9.3 27.1 62 80 A E - 0 0 28 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.3 -0.429 43.3-161.6 -92.2 152.0 49.2 12.4 27.8 63 81 A Q E -N 50 0C 38 -13,-1.6 -13,-2.7 -2,-0.1 2,-0.5 -0.997 9.5-161.0-128.2 120.6 46.0 13.7 26.4 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.931 21.3 168.0-101.7 121.8 45.3 17.4 26.9 65 83 A I E -N 48 0C 22 -17,-2.5 -17,-3.2 -2,-0.5 2,-0.3 -0.983 29.3-123.6-138.9 141.3 41.6 18.2 26.6 66 84 A S E -N 47 0C 46 -2,-0.3 25,-3.2 -19,-0.2 26,-0.3 -0.663 24.7-113.3 -92.2 151.6 39.6 21.3 27.4 67 85 A A E -O 90 0C 25 -21,-1.7 23,-0.2 -2,-0.3 3,-0.1 -0.555 20.5-168.5 -75.6 133.8 36.7 21.5 29.7 68 86 A S E S+ 0 0 66 21,-3.0 2,-0.3 1,-0.4 -1,-0.1 0.723 73.7 1.0 -95.7 -28.1 33.4 22.4 28.0 69 87 A K E -O 89 0C 89 20,-0.7 20,-2.4 2,-0.0 -1,-0.4 -0.984 58.0-152.9-155.6 154.1 31.5 23.0 31.3 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.999 8.0-166.6-129.1 131.0 32.1 22.9 35.0 71 89 A I E -O 87 0C 38 16,-2.7 16,-2.0 -2,-0.4 2,-0.3 -0.967 6.0-161.1-123.1 106.4 29.3 22.2 37.6 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.643 43.5 -84.7 -77.2 145.5 30.1 23.1 41.2 73 91 A H > - 0 0 21 12,-2.4 3,-2.0 10,-0.3 -1,-0.1 -0.285 36.6-124.7 -49.5 129.2 27.8 21.3 43.8 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.740 108.7 40.0 -46.1 -25.1 24.5 23.4 44.3 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.2 2,-0.1 7,-0.1 0.063 79.1 141.5-121.2 23.7 25.1 23.5 48.1 76 94 A Y < - 0 0 55 -3,-2.0 2,-0.6 7,-0.1 7,-0.2 -0.447 35.6-158.4 -64.2 131.4 28.9 24.0 48.2 77 95 A N B >> -P 82 0D 70 5,-2.3 4,-2.4 -2,-0.2 5,-0.6 -0.951 6.9-163.2-116.3 119.8 29.9 26.4 51.0 78 96 A S T 45S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.695 87.9 57.3 -80.1 -12.0 33.2 28.0 50.4 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.925 125.2 18.4 -82.5 -39.8 33.5 29.1 54.0 80 98 A T T 45S- 0 0 73 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.637 96.3-130.2-103.0 -18.0 33.2 25.6 55.5 81 99 A L T ><5 + 0 0 31 -4,-2.4 3,-0.7 1,-0.3 2,-0.4 0.824 48.1 159.7 68.7 37.1 33.9 23.6 52.4 82 100 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.3 1,-0.3 -1,-0.3 -0.726 67.5 17.8 -89.2 134.1 30.9 21.4 52.9 83 101 A N T 3 S+ 0 0 17 -2,-0.4 2,-2.2 -7,-0.2 -10,-0.3 0.880 79.8 178.3 66.7 45.7 29.9 19.7 49.6 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.422 33.7 113.4 -72.1 74.7 33.4 20.4 48.2 85 103 A I - 0 0 0 -2,-2.2 -12,-2.4 -47,-0.3 2,-0.3 -0.999 36.6-179.9-155.4 146.0 32.8 18.6 44.8 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.9 -2,-0.3 2,-0.4 -0.982 17.7-141.5-150.6 150.8 32.6 19.6 41.1 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-2.7 -2,-0.3 2,-0.4 -0.885 14.5-164.3-121.3 136.2 32.1 17.9 37.8 88 106 A I E -MO 35 70C 0 -53,-2.3 -53,-2.6 -2,-0.4 2,-0.4 -0.998 8.7-146.9-132.7 126.3 34.0 18.9 34.6 89 107 A K E -MO 34 69C 35 -20,-2.4 -21,-3.0 -2,-0.4 -20,-0.7 -0.792 15.8-128.7 -98.0 132.5 33.0 17.8 31.2 90 108 A L E - O 0 67C 2 -57,-3.0 -23,-0.2 -2,-0.4 3,-0.1 -0.487 10.7-133.8 -77.8 142.6 35.6 17.1 28.5 91 109 A K S S+ 0 0 142 -25,-3.2 2,-0.3 -2,-0.2 -1,-0.1 0.847 97.4 15.2 -61.6 -30.2 35.2 18.9 25.1 92 110 A S S S- 0 0 78 -26,-0.3 -1,-0.2 -60,-0.1 -24,-0.0 -0.977 98.1 -95.5-142.0 147.5 35.9 15.5 23.5 93 111 A A - 0 0 50 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.339 40.5-118.0 -60.8 138.8 35.9 12.1 25.1 94 112 A A - 0 0 8 -62,-2.5 2,-0.7 -63,-0.1 -1,-0.1 -0.443 24.6-116.0 -67.2 157.2 39.3 10.8 26.3 95 113 A S - 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