==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C1P . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,C.LUONG . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 14 6.3 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 . 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 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.1 51.8 14.4 49.3 2 17 A V B +A 171 0A 6 169,-2.7 169,-1.8 1,-0.2 123,-0.1 -0.911 360.0 7.3-110.0 132.1 54.0 14.4 52.3 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.707 102.3 117.1 72.2 23.5 55.7 11.1 53.4 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.169 57.8-117.5-103.9-162.9 54.5 9.2 50.3 5 20 A Y E -B 137 0B 95 132,-2.3 132,-2.8 -2,-0.1 2,-0.5 -0.882 34.6 -82.6-136.0 168.1 56.4 7.5 47.5 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.602 37.3-150.3 -74.1 123.6 56.7 7.9 43.7 7 22 A a - 0 0 19 128,-2.1 -1,-0.2 -2,-0.5 2,-0.1 0.923 35.5-114.7 -59.0 -50.6 53.7 6.0 42.2 8 23 A G > - 0 0 27 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.117 48.2 -53.2 117.7 146.5 55.4 5.0 39.0 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.270 119.0 -13.6 -55.5 124.5 54.3 6.2 35.5 10 25 A N T 3 S+ 0 0 34 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.721 90.3 128.4 52.3 34.6 50.7 5.7 34.9 11 26 A T S < S+ 0 0 80 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.531 77.5 48.3 -89.8 -6.1 50.1 3.3 37.8 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.689 76.3 175.2-127.9 73.1 47.1 5.5 38.9 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.638 70.8 57.1 -66.7 -17.1 45.5 5.7 35.4 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.416 80.3 112.4 -91.8 -2.3 42.3 7.7 36.6 15 30 A Q E < -J 28 0C 6 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.572 47.3-171.0 -77.0 133.0 44.4 10.6 38.1 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.3 -2,-0.3 2,-0.5 -0.853 17.8-143.6-121.8 156.7 44.0 13.9 36.2 17 32 A S E -JK 26 49C 2 32,-2.1 32,-2.8 -2,-0.3 2,-0.5 -0.983 15.7-144.7-118.3 130.1 45.9 17.2 36.6 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.5 7,-1.0 -0.871 24.0-168.6 -97.7 127.2 43.7 20.4 36.1 19 34 A N E +JK 23 47C 20 28,-3.1 28,-2.0 -2,-0.5 4,-0.2 -0.965 31.3 171.0-123.8 134.0 45.9 23.0 34.4 20 37 A S S S- 0 0 32 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.355 96.8 -45.8-132.4 48.9 45.2 26.7 33.8 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.227 141.1 28.8 105.9 -11.9 48.8 27.5 32.5 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.918 102.1 -83.5-166.1 161.2 50.2 25.4 35.4 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.603 51.1 157.7 -74.6 130.4 49.0 22.5 37.5 24 41 A F E + 0 0 31 -6,-2.2 2,-0.3 1,-0.4 151,-0.3 0.522 59.2 7.6-131.7 -15.9 46.7 23.7 40.3 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.980 61.9-123.8-161.2 162.8 44.5 20.7 41.3 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.435 27.0 179.3-101.8 175.7 44.0 17.0 40.8 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.2 2,-0.4 -0.944 23.2-118.4-165.2 174.0 40.9 15.2 39.7 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.3 -2,-0.3 2,-0.6 -0.988 19.2-130.4-129.2 137.4 39.5 11.7 38.9 29 46 A L E + L 0 35C 1 -15,-2.1 74,-2.4 -2,-0.4 6,-0.2 -0.774 25.1 176.5 -87.5 123.0 38.2 10.4 35.5 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.588 69.0 -16.8-103.0 -14.2 34.9 8.7 36.1 31 48 A N E > S- L 0 34C 50 3,-1.1 3,-1.1 70,-0.1 -1,-0.4 -0.925 89.2 -73.4-173.3 170.7 34.1 7.9 32.4 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.648 128.2 31.8 -53.3 -22.0 35.4 9.2 29.0 33 50 A Q T 3 S+ 0 0 77 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.474 110.5 66.8-115.1 -4.7 33.7 12.5 29.2 34 51 A W E < -LM 31 89C 3 -3,-1.1 -4,-2.3 55,-0.2 -3,-1.1 -0.964 46.1-175.2-131.9 144.2 33.6 13.4 32.9 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.943 13.7-150.4-126.2 143.7 36.0 14.3 35.7 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.929 30.3 148.7-115.4 141.1 35.2 14.8 39.4 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.1 -2,-0.4 2,-0.3 -0.757 51.0 -64.5-148.8-165.3 37.3 17.2 41.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.734 33.7-132.7 -95.6 142.4 36.8 19.6 44.4 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.835 106.7 63.1 -63.3 -31.1 34.6 22.6 44.1 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.594 93.5 64.7 -72.8 -3.4 37.2 24.9 45.7 41 58 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.344 77.0 134.3 -94.0 3.5 39.4 24.0 42.6 42 59 A Y < + 0 0 127 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.332 20.0 148.0 -60.8 135.5 36.9 25.8 40.5 43 60 A K - 0 0 54 -2,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.920 47.9-113.5-156.5 160.0 38.3 28.2 37.9 44 61 A S S S+ 0 0 101 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.772 96.6 38.8 -97.9 148.7 37.2 29.3 34.4 45 62 A G S S+ 0 0 68 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.960 74.9 169.2 78.8 52.4 39.5 28.0 31.6 46 63 A I - 0 0 9 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.814 21.6-162.9-103.2 141.8 40.6 24.6 32.7 47 64 A Q E -KN 19 66C 48 -28,-2.0 -28,-3.1 -2,-0.4 2,-0.5 -0.971 17.1-141.0-120.4 132.4 42.4 22.1 30.6 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.9 -2,-0.5 2,-0.6 -0.841 11.7-157.4 -98.1 128.9 42.3 18.5 31.9 49 66 A R E -KN 17 64C 50 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.951 12.9-176.5-117.2 115.2 45.5 16.6 31.5 50 67 A L E + N 0 63C 3 13,-3.2 13,-1.7 -2,-0.6 -34,-0.1 -0.646 59.9 30.6-104.0 160.1 45.2 12.8 31.4 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.702 83.3 151.5 62.0 27.8 48.0 10.1 31.3 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.548 23.8 153.9 -89.3 151.4 50.5 12.2 33.1 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 4,-0.3 82,-0.3 0.294 82.1 31.0-134.8 -74.6 53.4 11.2 35.2 54 72 A N S > S- 0 0 26 3,-0.2 3,-1.1 80,-0.2 -1,-0.4 -0.773 72.9-160.1 -87.1 115.9 55.9 14.1 35.0 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.1 -2,-0.7 79,-0.1 0.519 87.4 52.8 -77.1 -0.3 53.7 17.2 34.5 56 74 A N T 3 S+ 0 0 119 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.338 105.5 57.9-111.2 2.8 56.6 19.2 33.1 57 75 A V S < S- 0 0 70 -3,-1.1 2,-0.9 76,-0.2 -4,-0.3 -0.991 76.7-133.8-135.5 128.4 57.7 16.7 30.4 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.695 29.1 176.8 -80.1 107.5 55.5 15.4 27.6 59 77 A E - 0 0 97 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.484 52.4 -98.1 -91.2 -4.0 56.4 11.6 27.9 60 78 A G S S+ 0 0 59 -3,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.143 105.2 81.0 110.5 -20.0 54.1 10.4 25.2 61 79 A N + 0 0 48 -10,-0.3 2,-0.1 38,-0.0 -3,-0.0 0.283 64.6 118.3-106.1 16.5 50.9 9.2 27.0 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.442 40.7-169.4 -86.0 156.4 49.2 12.5 27.6 63 81 A Q E -N 50 0C 37 -13,-1.7 -13,-3.2 -2,-0.1 2,-0.6 -0.974 8.6-165.1-138.8 118.9 45.8 13.7 26.5 64 82 A F E +N 49 0C 71 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.960 17.3 171.5-110.6 112.8 45.2 17.4 27.1 65 83 A I E -N 48 0C 21 -17,-2.9 -17,-3.2 -2,-0.6 2,-0.1 -0.990 27.8-127.9-128.3 133.9 41.4 18.2 26.7 66 84 A S E -N 47 0C 56 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.421 27.8-110.9 -77.7 156.8 39.7 21.5 27.5 67 85 A A E -O 90 0C 24 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.634 20.1-166.1 -84.7 142.8 36.6 21.5 29.7 68 86 A S E S- 0 0 67 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.725 75.4 -0.4 -98.0 -31.5 33.3 22.4 28.0 69 87 A K E -O 89 0C 86 20,-1.1 20,-2.9 2,-0.0 -1,-0.4 -0.984 57.2-154.2-157.7 153.6 31.5 22.9 31.3 70 88 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.964 8.3-165.2-128.6 142.5 32.0 22.8 35.1 71 89 A I E -O 87 0C 36 16,-2.8 16,-2.4 -2,-0.4 2,-0.3 -0.952 5.5-158.6-135.0 110.5 29.3 22.2 37.6 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.642 42.9 -86.5 -86.2 145.1 30.0 23.0 41.3 73 91 A H > - 0 0 20 12,-2.1 3,-1.9 -2,-0.3 -1,-0.1 -0.227 36.3-122.8 -50.5 135.3 27.7 21.2 43.8 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.785 110.5 40.9 -53.0 -30.3 24.4 23.2 44.3 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.157 77.6 141.8-107.4 19.4 25.1 23.3 48.1 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.454 32.9-163.0 -63.6 131.7 28.9 24.0 48.1 77 95 A N B >> -P 82 0D 66 5,-1.9 4,-2.3 -2,-0.1 5,-0.7 -0.969 6.8-162.4-118.6 106.7 29.7 26.4 50.9 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.616 87.1 59.0 -68.5 -12.1 33.2 28.0 50.4 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.855 123.0 18.9 -86.1 -35.3 33.4 29.1 54.0 80 98 A T T 45S- 0 0 70 -3,-0.5 -2,-0.2 2,-0.1 3,-0.1 0.558 96.2-130.2-106.2 -15.0 33.1 25.6 55.6 81 99 A L T ><5 + 0 0 30 -4,-2.3 3,-0.8 1,-0.3 2,-0.3 0.689 49.6 160.6 68.7 27.3 34.0 23.6 52.5 82 100 A N B 3 < +P 77 0D 36 -5,-0.7 -5,-1.9 1,-0.2 -1,-0.3 -0.594 65.7 16.9 -77.2 137.9 30.9 21.5 53.0 83 101 A N T 3 S+ 0 0 17 -2,-0.3 2,-2.1 -7,-0.2 -10,-0.3 0.904 80.4 178.7 65.5 48.1 29.9 19.7 49.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.489 34.6 109.3 -82.7 76.1 33.3 20.3 48.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.992 37.5 177.3-148.4 148.3 32.8 18.5 44.9 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.7 -2,-0.3 2,-0.4 -0.978 19.7-136.1-151.5 155.2 32.5 19.6 41.3 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.4 -0.902 13.2-163.6-116.0 140.6 32.1 17.9 37.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.998 7.6-151.3-127.1 127.3 33.9 18.9 34.7 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-2.8 -2,-0.4 -20,-1.1 -0.821 19.2-128.3-101.0 139.1 32.8 17.7 31.3 90 108 A L E - 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