==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JAN-04 1S85 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.R.TRANSUE,J.M.KRAHN,S.A.GABEL,E.F.DEROSE,R.E.LONDON . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 58.3 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 . 67 30.0 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 . 15 6.7 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 . 2 2 2 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 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 115.7 25.3 29.3 7.5 2 17 A V B +A 171 0A 6 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.799 360.0 9.2 -92.6 135.2 23.0 28.0 10.3 3 18 A G S S+ 0 0 43 121,-0.7 -1,-0.2 -2,-0.4 122,-0.1 0.728 103.5 119.0 70.3 24.6 19.6 29.9 10.9 4 19 A G - 0 0 31 -3,-0.5 2,-0.3 120,-0.1 134,-0.2 -0.018 57.7-120.3 -97.2-157.4 20.0 32.0 7.7 5 20 A Y E -B 137 0B 101 132,-1.8 132,-2.4 -3,-0.1 2,-0.4 -0.963 36.4 -87.8-143.5 156.7 18.1 32.4 4.5 6 21 A T E -B 136 0B 67 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.546 48.6-123.5 -68.7 123.4 18.9 31.8 0.8 7 22 A a - 0 0 4 128,-2.5 128,-0.1 -2,-0.4 3,-0.1 -0.287 32.0 -95.0 -56.4 148.6 20.5 35.0 -0.6 8 23 A A > - 0 0 67 1,-0.1 3,-2.0 2,-0.1 4,-0.3 -0.453 63.5 -82.0 -56.8 142.7 18.8 36.6 -3.7 9 24 A A T 3 S- 0 0 48 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.352 110.2 -7.3 -57.2 122.7 20.8 35.2 -6.7 10 25 A N T 3 S+ 0 0 19 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.548 91.1 126.1 65.7 13.0 24.0 37.2 -7.1 11 26 A S S < S+ 0 0 64 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.609 76.5 53.2 -69.6 -9.3 23.0 39.9 -4.5 12 27 A I S > S+ 0 0 9 -4,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.665 71.2 166.8-119.8 63.7 26.5 39.1 -2.9 13 28 A P T 3 S+ 0 0 26 0, 0.0 88,-0.8 0, 0.0 38,-0.4 0.645 70.5 57.2 -69.3 -13.2 28.6 39.6 -6.0 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.570 82.0 106.9 -87.2 -13.7 32.0 39.7 -4.1 15 30 A Q E < -J 28 0C 5 -3,-1.8 36,-0.4 13,-0.2 37,-0.3 -0.550 50.0-176.1 -69.8 129.4 31.3 36.2 -2.6 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.872 21.5-136.5-118.7 155.0 33.5 33.5 -4.2 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.7 -2,-0.3 2,-0.5 -0.909 14.6-142.7 -99.4 139.1 33.7 29.8 -3.8 18 33 A L E -JK 25 48C 0 7,-2.7 6,-2.2 -2,-0.4 7,-1.1 -0.937 23.7-162.8 -99.3 122.6 37.2 28.2 -3.5 19 34 A N E +JK 23 47C 14 28,-2.7 28,-2.4 -2,-0.5 4,-0.2 -0.944 29.7 169.9-120.8 130.5 37.0 24.8 -5.3 20 37 A S S S- 0 0 54 2,-2.0 3,-0.1 -2,-0.4 -1,-0.0 -0.361 97.0 -48.3-126.9 41.8 39.5 21.9 -5.1 21 38 A G S S+ 0 0 75 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.261 141.6 23.8 102.0 -36.6 37.3 19.5 -7.0 22 39 A S S S- 0 0 82 -4,-0.1 -2,-2.0 0, 0.0 -4,-0.0 -0.962 106.0 -74.9-144.4 161.3 34.5 20.6 -4.7 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.239 52.4 156.9 -47.8 129.8 33.7 23.8 -2.6 24 41 A F E + 0 0 42 -6,-2.2 2,-0.3 1,-0.5 151,-0.2 0.541 61.1 3.5-132.3 -21.5 35.9 23.8 0.6 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-2.7 151,-0.1 -1,-0.5 -0.951 63.3-122.4-153.6 169.0 36.0 27.5 1.6 26 43 A G E +J 17 0C 0 151,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.465 24.7 178.1-104.4-179.8 34.7 31.0 0.7 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.949 23.3-118.3-174.1 169.6 36.5 34.2 -0.1 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.5 -0.995 19.7-127.4-131.1 132.3 35.8 37.8 -1.1 29 46 A L E + L 0 35C 0 -15,-2.2 74,-1.8 -2,-0.4 6,-0.3 -0.697 33.7 164.5 -78.8 119.7 36.8 39.7 -4.3 30 47 A I E + 0 0 22 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.533 68.2 13.5-114.9 -13.3 38.6 42.9 -3.4 31 48 A N E > S- L 0 34C 60 3,-1.7 3,-1.1 70,-0.1 -1,-0.3 -0.961 85.9-100.9-151.0 160.5 40.2 43.7 -6.7 32 49 A S T 3 S+ 0 0 36 -2,-0.3 62,-2.6 1,-0.3 60,-0.1 0.795 128.9 32.9 -54.7 -23.2 39.7 42.4 -10.3 33 50 A Q T 3 S+ 0 0 68 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.493 112.5 70.8-107.3 -7.1 42.8 40.4 -9.7 34 51 A W E < -LM 31 89C 3 -3,-1.1 -4,-2.6 55,-0.2 -3,-1.7 -0.965 45.2-177.2-132.2 131.8 42.6 39.6 -5.9 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.4 -2,-0.4 2,-0.4 -0.936 16.6-150.1-111.4 137.6 40.5 37.5 -3.5 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.4 -2,-0.4 51,-0.2 -0.877 29.6 146.8-108.3 141.4 40.9 37.5 0.3 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.1 -2,-0.4 2,-0.3 -0.719 50.1 -63.6-151.9-169.2 40.2 34.4 2.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.764 33.3-133.3 -94.9 139.9 41.4 32.6 5.6 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.852 105.7 64.9 -63.0 -33.5 44.9 31.2 5.8 40 57 A H G 3 S+ 0 0 75 1,-0.3 -1,-0.3 37,-0.1 137,-0.0 0.633 93.8 62.5 -64.3 -13.1 43.6 27.9 7.3 41 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.290 79.5 139.7 -87.0 5.8 41.8 27.4 3.9 42 59 A Y < + 0 0 109 -3,-2.0 2,-0.3 2,-0.0 -3,-0.1 -0.306 17.9 158.7 -59.3 131.7 45.3 27.3 2.1 43 60 A K - 0 0 85 -2,-0.0 -2,-0.0 1,-0.0 3,-0.0 -0.948 46.2-123.1-142.3 152.3 45.8 24.7 -0.7 44 61 A S S S+ 0 0 87 -2,-0.3 2,-0.5 1,-0.1 26,-0.0 0.769 102.1 40.9 -67.0 -30.1 48.5 24.8 -3.5 45 62 A R + 0 0 200 2,-0.0 2,-0.4 21,-0.0 -1,-0.1 -0.991 69.4 165.4-121.5 125.7 45.8 24.7 -6.2 46 63 A I - 0 0 4 -2,-0.5 21,-2.5 21,-0.2 2,-0.5 -0.985 22.9-155.4-137.1 130.5 42.6 26.6 -5.9 47 64 A Q E -KN 19 66C 49 -28,-2.4 -28,-2.7 -2,-0.4 2,-0.5 -0.932 19.3-143.4 -96.1 126.8 40.1 27.4 -8.7 48 65 A V E -KN 18 65C 0 17,-2.0 17,-2.7 -2,-0.5 2,-0.6 -0.815 10.9-160.9 -92.7 127.2 38.1 30.5 -7.8 49 66 A R E -KN 17 64C 49 -32,-2.7 -32,-2.3 -2,-0.5 3,-0.3 -0.957 13.4-177.5-114.4 114.7 34.5 30.4 -8.9 50 67 A L E + N 0 63C 1 13,-2.8 13,-1.4 -2,-0.6 -34,-0.1 -0.647 59.5 32.4-107.4 162.8 32.8 33.8 -9.1 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 -38,-0.4 2,-0.2 0.678 83.8 151.1 60.4 22.7 29.2 34.8 -9.9 52 70 A E + 0 0 10 -37,-0.3 -42,-0.3 -3,-0.3 -1,-0.2 -0.529 21.5 150.0 -75.6 149.6 27.9 31.6 -8.3 53 71 A H S S+ 0 0 16 1,-0.3 2,-0.9 4,-0.3 82,-0.4 0.294 84.7 34.7-129.3 -67.5 24.5 31.1 -6.6 54 72 A N > - 0 0 29 3,-0.2 3,-0.9 80,-0.2 -1,-0.3 -0.812 70.0-171.6 -80.8 104.3 23.9 27.4 -7.2 55 73 A I T 3 S+ 0 0 27 78,-1.9 -1,-0.1 -2,-0.9 -32,-0.1 0.464 85.8 56.6 -73.0 -4.7 27.5 25.9 -7.0 56 74 A D T 3 S+ 0 0 110 1,-0.2 2,-0.3 77,-0.2 -1,-0.2 0.446 108.0 48.8-104.6 -4.4 26.0 22.6 -8.3 57 75 A V S < S- 0 0 78 -3,-0.9 2,-0.4 76,-0.1 -4,-0.3 -0.992 78.1-126.9-140.3 130.6 24.5 24.1 -11.5 58 76 A L + 0 0 135 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.640 30.7 170.6 -70.3 121.9 25.9 26.3 -14.3 59 77 A E - 0 0 105 -2,-0.4 -1,-0.1 -5,-0.1 -7,-0.0 0.386 53.1-105.7-119.1 -3.2 23.5 29.3 -14.7 60 78 A G S S+ 0 0 70 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.304 102.9 87.5 96.0 -3.6 25.7 31.4 -17.0 61 79 A N + 0 0 44 -10,-0.3 2,-0.2 38,-0.0 -9,-0.1 0.417 65.9 119.1 -91.0 -2.9 27.0 34.2 -14.6 62 80 A E - 0 0 33 -13,-0.1 2,-0.4 -11,-0.0 -11,-0.2 -0.453 41.5-173.3 -79.5 139.5 30.0 32.0 -13.6 63 81 A Q E -N 50 0C 37 -13,-1.4 -13,-2.8 -2,-0.2 2,-0.6 -0.998 7.3-164.1-122.4 120.2 33.6 32.9 -14.1 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.955 17.9 168.2-108.1 114.1 36.0 30.1 -13.2 65 83 A I E -N 48 0C 13 -17,-2.7 -17,-2.0 -2,-0.6 3,-0.1 -0.978 27.7-133.5-135.5 112.2 39.6 31.5 -12.8 66 84 A N E -N 47 0C 91 -2,-0.4 25,-2.6 -19,-0.2 2,-0.4 -0.274 31.0 -99.8 -62.0 153.5 42.5 29.5 -11.3 67 85 A A E -O 90 0C 23 -21,-2.5 23,-0.3 23,-0.2 -21,-0.2 -0.638 29.1-173.3 -70.1 123.9 44.8 31.1 -8.7 68 86 A A E S+ 0 0 60 21,-2.3 2,-0.3 -2,-0.4 22,-0.2 0.805 77.3 16.5 -78.7 -37.7 48.1 32.3 -10.1 69 87 A K E -O 89 0C 79 20,-1.6 20,-2.3 2,-0.0 2,-0.4 -0.997 60.2-166.9-144.0 139.6 49.5 33.2 -6.6 70 88 A I E -O 88 0C 34 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.967 12.3-179.1-136.6 111.2 48.5 32.2 -3.0 71 89 A I E -O 87 0C 47 16,-2.7 16,-2.4 -2,-0.4 2,-0.1 -0.939 10.3-158.9-122.8 104.5 50.0 34.2 -0.2 72 90 A T E -O 86 0C 53 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.450 43.6 -83.8 -70.0 155.8 49.3 33.4 3.5 73 91 A H > - 0 0 16 12,-2.0 3,-2.1 10,-0.3 -1,-0.1 -0.422 38.3-126.6 -57.1 130.6 49.9 36.1 6.1 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.792 110.4 42.4 -55.9 -26.4 53.6 35.9 7.1 75 93 A N T 3 S+ 0 0 113 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.097 78.7 142.1-107.3 19.8 52.5 35.6 10.8 76 94 A F < - 0 0 53 -3,-2.1 2,-0.7 9,-0.1 7,-0.2 -0.474 40.5-150.8 -58.8 125.5 49.5 33.2 10.3 77 95 A N > - 0 0 73 5,-2.3 4,-1.6 -2,-0.2 5,-0.4 -0.923 5.8-158.0-102.5 111.6 49.6 30.8 13.3 78 96 A G T 4 S+ 0 0 58 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.597 89.4 47.6 -57.6 -17.9 48.1 27.4 12.3 79 97 A N T 4 S+ 0 0 135 3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.929 122.1 24.4 -94.5 -64.5 47.3 26.6 16.0 80 98 A T T 4 S- 0 0 64 2,-0.1 -2,-0.2 1,-0.0 77,-0.2 0.538 97.0-127.9 -78.5 -9.8 45.6 29.7 17.6 81 99 A L >< + 0 0 36 -4,-1.6 3,-0.6 1,-0.2 2,-0.2 0.742 50.5 162.2 55.0 30.7 44.3 30.9 14.1 82 100 A D T 3 + 0 0 33 -5,-0.4 -5,-2.3 1,-0.2 -1,-0.2 -0.589 66.9 15.8 -72.1 143.9 45.9 34.3 14.9 83 101 A N T 3 S- 0 0 17 -2,-0.2 2,-1.6 -7,-0.2 -10,-0.3 0.942 80.8-179.5 48.4 58.5 46.2 36.3 11.6 84 102 A D < + 0 0 0 -3,-0.6 2,-0.3 75,-0.3 123,-0.2 -0.575 36.7 110.9 -88.7 75.7 43.8 34.0 9.8 85 103 A I + 0 0 0 -2,-1.6 -12,-2.0 -47,-0.3 2,-0.3 -0.993 35.8 172.4-149.5 140.8 44.0 35.8 6.4 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.5 -2,-0.3 2,-0.3 -0.979 20.7-137.0-145.5 155.1 45.5 35.0 2.9 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.7 -2,-0.3 2,-0.4 -0.854 9.4-160.8-112.3 150.3 45.4 36.6 -0.6 88 106 A I E -MO 35 70C 0 -53,-2.4 -53,-2.5 -2,-0.3 2,-0.5 -0.993 7.9-151.7-131.5 113.9 44.8 34.8 -3.9 89 107 A K E -MO 34 69C 35 -20,-2.3 -21,-2.3 -2,-0.4 -20,-1.6 -0.816 22.3-129.3 -84.1 131.1 45.9 36.5 -7.2 90 108 A L E - 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