==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUN-99 1QQU . COMPND 2 MOLECULE: BETA TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR A.JOHNSON,N.GAUTHAM,V.PATTABHI . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9394.0 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 . 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 0 1 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 118.3 25.8 28.6 8.0 2 17 A V B +A 171 0A 11 169,-2.5 169,-1.5 1,-0.2 123,-0.1 -0.821 360.0 12.0 -94.0 136.2 23.3 27.5 10.7 3 18 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.4 122,-0.1 0.750 101.4 121.1 79.1 19.5 20.1 29.5 11.2 4 19 A G - 0 0 31 -3,-0.4 2,-0.3 120,-0.1 134,-0.2 -0.087 56.7-117.1 -98.0-162.4 20.5 31.5 8.0 5 20 A Y E -B 137 0B 113 132,-2.4 132,-3.5 -3,-0.1 2,-0.5 -0.946 35.5 -91.6-137.1 158.3 18.6 32.1 4.8 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.600 46.6-127.2 -72.9 121.5 19.3 31.4 1.1 7 22 A a - 0 0 4 128,-2.0 3,-0.1 -2,-0.5 128,-0.1 -0.332 30.2 -95.4 -61.7 150.7 21.0 34.4 -0.4 8 23 A A > - 0 0 67 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.416 60.7 -81.1 -60.0 142.4 19.5 35.9 -3.6 9 24 A A T 3 S- 0 0 47 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.232 109.5 -7.6 -56.2 127.6 21.3 34.5 -6.6 10 25 A N T 3 S+ 0 0 16 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.696 93.2 127.7 61.6 24.0 24.6 36.3 -7.3 11 26 A S S < S+ 0 0 59 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.531 70.3 52.6 -84.5 -8.6 23.8 38.9 -4.6 12 27 A I > + 0 0 19 -4,-0.3 3,-1.9 1,-0.1 -1,-0.2 -0.693 69.7 170.2-122.7 77.4 27.2 38.3 -2.9 13 28 A P T 3 + 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.629 69.5 58.8 -82.1 -9.2 29.4 38.7 -5.9 14 29 A Y T 3 S+ 0 0 28 86,-0.2 15,-2.0 88,-0.1 2,-0.3 0.479 81.0 108.2 -93.0 -2.5 32.8 38.7 -4.0 15 30 A Q E < -J 28 0C 6 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.555 48.4-173.1 -76.8 132.9 32.2 35.2 -2.5 16 31 A V E -JK 27 50C 0 11,-2.1 11,-1.0 -2,-0.3 2,-0.4 -0.882 19.0-139.5-117.4 157.4 34.3 32.4 -3.9 17 32 A S E -JK 26 49C 1 32,-1.9 32,-2.7 -2,-0.3 2,-0.5 -0.969 15.4-143.2-106.0 133.7 34.3 28.6 -3.3 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.5 -2,-0.4 7,-1.0 -0.862 25.6-167.0 -95.3 129.8 37.7 26.9 -3.0 19 34 A N E +JK 23 47C 11 28,-2.8 28,-2.6 -2,-0.5 4,-0.2 -0.961 31.9 163.5-125.8 131.8 37.5 23.5 -4.7 20 37 A S S S- 0 0 44 2,-2.3 3,-0.1 -2,-0.4 25,-0.0 -0.306 97.1 -38.5-135.9 64.5 39.8 20.4 -4.7 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.358 141.5 13.3 102.4 -44.6 37.5 17.8 -6.1 22 39 A S S S- 0 0 79 -4,-0.0 -2,-2.3 0, 0.0 2,-0.1 -0.935 103.2 -70.6-149.2 170.8 34.7 19.3 -4.1 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.404 51.6 159.8 -63.4 136.4 34.0 22.6 -2.2 24 41 A F E - 0 0 33 -6,-2.5 2,-0.3 1,-0.5 151,-0.3 0.616 57.7 -0.3-129.8 -25.5 36.1 22.7 1.0 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.5 -0.964 63.6-115.8-157.5 166.6 36.3 26.4 2.2 26 43 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.363 26.1 176.9-101.1-178.1 35.2 29.9 1.2 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.1 10,-0.1 2,-0.4 -0.945 22.8-122.0-170.3 171.2 37.2 33.1 0.3 28 45 A S E -JL 15 36C 1 8,-2.0 8,-2.7 -2,-0.3 2,-0.5 -0.999 19.6-127.3-131.5 138.6 36.6 36.7 -0.9 29 46 A L E + L 0 35C 1 -15,-2.0 74,-2.0 -2,-0.4 6,-0.2 -0.726 30.5 169.7 -86.1 125.5 37.8 38.4 -4.0 30 47 A I E + 0 0 19 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.561 68.0 0.3-120.2 -13.0 39.7 41.6 -3.1 31 48 A N E > S- L 0 34C 55 3,-1.4 3,-1.2 70,-0.1 -1,-0.4 -0.947 88.6 -87.0-158.0-179.1 41.2 42.4 -6.5 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-3.2 1,-0.3 60,-0.1 0.749 125.2 29.5 -66.5 -20.0 41.1 40.9 -9.9 33 50 A Q T 3 S+ 0 0 73 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.408 111.9 67.8-112.8 3.7 44.0 38.5 -9.3 34 51 A W E < -LM 31 89C 5 -3,-1.2 -4,-2.2 55,-0.2 -3,-1.4 -0.985 48.5-172.6-137.8 135.6 43.8 37.9 -5.5 35 52 A V E -LM 29 88C 0 53,-2.4 53,-3.0 -2,-0.4 2,-0.4 -0.921 15.7-146.0-119.4 140.7 41.5 36.0 -3.1 36 53 A V E +LM 28 87C 2 -8,-2.7 -8,-2.0 -2,-0.3 51,-0.2 -0.931 31.2 147.6-112.9 140.4 41.8 36.1 0.7 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.0 -2,-0.4 2,-0.4 -0.681 48.8 -65.9-147.6-169.6 40.9 33.1 2.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.804 30.8-137.1 -93.0 136.6 41.9 31.3 6.1 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.0 1,-0.2 -1,-0.1 0.804 101.9 66.9 -63.7 -27.6 45.3 29.7 6.5 40 57 A H G 3 S+ 0 0 75 1,-0.3 -1,-0.2 41,-0.1 137,-0.0 0.602 92.5 63.3 -68.0 -7.4 43.8 26.6 8.2 41 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.383 77.4 141.7 -92.7 4.7 42.1 25.9 4.9 42 59 A Y < + 0 0 124 -3,-2.0 2,-0.3 2,-0.0 -3,-0.1 -0.103 16.1 158.1 -51.3 133.6 45.6 25.4 3.2 43 60 A K - 0 0 96 1,-0.0 -2,-0.0 3,-0.0 3,-0.0 -0.953 45.8-118.8-146.0 161.5 45.9 22.6 0.7 44 61 A S S S+ 0 0 105 -2,-0.3 2,-0.4 1,-0.1 -2,-0.0 0.769 98.3 38.0 -80.7 -25.9 48.6 22.3 -2.1 45 62 A R S S+ 0 0 113 -25,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.996 70.9 169.4-121.0 128.6 46.3 22.4 -5.2 46 63 A I - 0 0 1 -2,-0.4 21,-2.5 21,-0.2 2,-0.5 -0.995 22.1-156.9-141.1 137.7 43.2 24.7 -5.2 47 64 A Q E -KN 19 66C 47 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.4 -0.958 19.2-142.0-105.4 131.2 40.8 25.7 -7.9 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.4 -2,-0.5 2,-0.6 -0.791 10.9-158.2 -92.5 127.3 39.0 29.0 -7.3 49 66 A R E -KN 17 64C 52 -32,-2.7 -32,-1.9 -2,-0.4 3,-0.3 -0.927 12.9-174.6-112.8 115.0 35.3 29.1 -8.4 50 67 A L E +KN 16 63C 2 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.741 60.0 28.6-105.3 156.1 33.8 32.6 -9.0 51 69 A G S S+ 0 0 2 -36,-0.5 2,-0.2 -38,-0.3 10,-0.2 0.695 83.1 155.1 71.9 20.5 30.3 33.7 -9.8 52 70 A E + 0 0 13 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.534 22.0 150.9 -79.9 143.4 28.7 30.6 -8.0 53 71 A H S S+ 0 0 19 1,-0.3 82,-1.1 -2,-0.2 2,-0.7 0.459 81.2 32.4-120.8 -59.6 25.2 30.4 -6.6 54 72 A N B > -P 134 0D 30 3,-0.2 3,-1.0 80,-0.2 -1,-0.3 -0.880 69.9-166.0 -95.8 112.3 24.4 26.6 -6.9 55 73 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.622 83.1 56.4 -79.7 -7.0 27.7 24.8 -6.5 56 74 A D T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.526 105.1 51.4-101.6 -5.1 26.3 21.5 -7.8 57 75 A V S < S- 0 0 82 -3,-1.0 2,-0.5 76,-0.2 -4,-0.2 -0.991 81.0-122.8-131.0 133.2 25.0 22.8 -11.2 58 76 A L + 0 0 123 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.648 33.4 175.6 -80.2 126.0 26.8 24.7 -13.9 59 77 A E - 0 0 74 -2,-0.5 -1,-0.2 -5,-0.1 -7,-0.0 0.678 44.7-107.6-110.8 -27.2 24.7 27.9 -14.3 60 78 A G S S+ 0 0 67 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.321 101.8 81.3 118.2 -4.2 26.6 30.0 -16.8 61 79 A N + 0 0 67 -10,-0.2 2,-0.1 38,-0.0 -9,-0.1 0.452 69.9 116.1 -97.5 -4.4 27.9 32.8 -14.7 62 80 A E - 0 0 27 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.375 42.1-171.3 -83.8 146.2 30.9 30.8 -13.4 63 81 A Q E -N 50 0C 38 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.6 -0.988 7.9-165.0-120.3 124.6 34.6 31.3 -13.8 64 82 A F E +N 49 0C 69 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.944 15.5 172.7-112.2 118.3 36.9 28.5 -12.6 65 83 A I E -N 48 0C 17 -17,-2.4 -17,-2.9 -2,-0.6 2,-0.1 -0.998 28.2-125.9-131.5 132.2 40.5 29.6 -12.3 66 84 A N E -N 47 0C 81 -2,-0.4 25,-2.6 -19,-0.2 26,-0.3 -0.437 29.6-110.7 -74.9 145.1 43.4 27.6 -10.8 67 85 A A E -O 90 0C 10 -21,-2.5 23,-0.2 23,-0.2 -21,-0.2 -0.592 27.8-173.9 -74.6 141.1 45.5 29.2 -8.0 68 86 A A E S+ 0 0 61 21,-3.3 2,-0.4 1,-0.4 22,-0.2 0.731 71.4 21.5-102.2 -39.5 49.1 30.0 -9.1 69 87 A K E -O 89 0C 77 20,-1.3 20,-2.4 2,-0.0 2,-0.4 -0.996 60.6-165.9-132.3 138.1 50.5 31.1 -5.7 70 88 A I E -O 88 0C 43 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.994 11.0-176.5-125.8 118.5 49.3 30.3 -2.2 71 89 A I E -O 87 0C 41 16,-2.7 16,-2.6 -2,-0.4 2,-0.3 -0.941 7.2-163.5-122.0 111.9 50.8 32.4 0.7 72 90 A T E -O 86 0C 56 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.706 40.8 -90.4 -92.3 151.9 50.0 31.8 4.3 73 91 A H > - 0 0 20 12,-2.2 3,-2.0 10,-0.3 -1,-0.1 -0.296 34.8-130.2 -59.8 135.8 50.7 34.4 7.0 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.751 105.2 46.4 -65.1 -21.6 54.3 33.8 8.3 75 93 A N T 3 S+ 0 0 107 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.155 76.1 141.7-108.4 21.9 53.2 34.0 11.9 76 94 A F < - 0 0 65 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.393 38.0-155.0 -58.5 133.3 50.1 31.7 11.6 77 95 A N > - 0 0 72 5,-2.0 4,-2.1 1,-0.1 5,-0.3 -0.972 10.6-159.4-117.4 116.4 49.9 29.6 14.8 78 96 A G T 4 S+ 0 0 57 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.667 89.5 52.8 -69.5 -20.0 48.1 26.3 14.4 79 97 A N T 4 S+ 0 0 141 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.945 124.5 21.1 -78.7 -50.6 47.5 26.0 18.2 80 98 A T T 4 S- 0 0 52 2,-0.1 -2,-0.2 1,-0.0 77,-0.2 0.659 94.0-130.3 -96.0 -11.5 45.8 29.3 18.9 81 99 A L >< + 0 0 36 -4,-2.1 3,-0.9 1,-0.3 -3,-0.1 0.558 49.5 159.9 67.9 11.4 44.7 30.2 15.3 82 100 A D T 3 + 0 0 35 -5,-0.3 -5,-2.0 1,-0.2 -1,-0.3 -0.399 66.0 16.4 -59.3 142.4 46.3 33.6 15.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.898 77.3 174.7 59.8 47.8 46.9 35.1 12.2 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.524 34.6 116.2 -87.0 84.1 44.5 32.7 10.4 85 103 A I + 0 0 0 -2,-1.8 -12,-2.2 -47,-0.3 2,-0.3 -0.995 36.6 178.9-154.2 141.9 44.8 34.4 7.0 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-2.5 -2,-0.3 2,-0.4 -0.992 17.0-141.7-148.6 142.0 46.1 33.3 3.6 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-2.7 -2,-0.3 2,-0.5 -0.901 10.6-161.7-109.1 142.3 46.3 34.9 0.2 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.4 -2,-0.4 2,-0.5 -0.966 6.3-152.5-122.7 122.8 45.8 33.2 -3.2 89 107 A K E -MO 34 69C 35 -20,-2.4 -21,-3.3 -2,-0.5 -20,-1.3 -0.796 21.2-129.2 -92.2 131.2 47.0 34.6 -6.5 90 108 A L E - 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