==== 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 1S84 . 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) . 9449.0 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 . 71 31.8 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 . 15 6.7 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 . 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 . 4 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.7 25.3 29.5 7.4 2 17 A V B +A 171 0A 6 169,-2.8 169,-1.8 1,-0.2 123,-0.1 -0.880 360.0 11.6-105.6 133.4 22.9 28.3 10.2 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.649 103.6 112.2 81.1 15.6 19.6 30.2 10.8 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.065 61.6-117.5 -98.1-154.7 20.0 32.3 7.6 5 20 A Y E -B 137 0B 103 132,-2.3 132,-2.9 -3,-0.1 2,-0.3 -0.961 35.3 -86.8-145.3 156.5 18.1 32.4 4.3 6 21 A T E -B 136 0B 68 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.561 49.5-123.5 -66.5 124.4 18.9 31.7 0.7 7 22 A a - 0 0 3 128,-2.1 3,-0.1 -2,-0.3 128,-0.1 -0.345 31.4 -95.4 -59.6 148.1 20.4 34.9 -0.9 8 23 A A > - 0 0 67 1,-0.1 3,-2.2 3,-0.1 4,-0.2 -0.426 63.8 -80.8 -55.6 140.7 18.6 36.3 -4.0 9 24 A A T 3 S- 0 0 50 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.327 110.4 -7.5 -55.1 123.0 20.7 34.9 -7.0 10 25 A N T 3 S+ 0 0 18 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.602 92.3 127.5 65.1 17.2 23.8 37.1 -7.5 11 26 A S S < S+ 0 0 60 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.478 72.1 53.6 -78.7 -3.1 22.7 39.7 -4.9 12 27 A I S > S+ 0 0 9 -4,-0.2 3,-2.0 87,-0.1 -1,-0.2 -0.729 71.1 170.3-125.9 67.0 26.2 39.3 -3.2 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.629 70.9 58.2 -70.8 -14.0 28.3 39.9 -6.3 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.544 82.5 105.7 -84.4 -11.4 31.6 40.1 -4.3 15 30 A Q E < -J 28 0C 4 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.598 49.6-176.8 -73.3 129.5 31.2 36.6 -2.9 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.4 2,-0.5 -0.840 21.3-136.6-116.1 161.6 33.4 33.9 -4.4 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.5 -0.966 15.6-142.2-109.6 129.5 33.7 30.2 -3.9 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-1.1 -0.842 24.8-166.3 -92.4 127.1 37.2 28.8 -3.7 19 34 A N E +JK 23 47C 14 28,-2.7 28,-2.6 -2,-0.5 2,-0.3 -0.974 30.5 164.4-127.3 129.6 37.3 25.4 -5.4 20 37 A S S S- 0 0 54 2,-2.1 2,-1.0 -2,-0.4 -2,-0.0 -0.806 97.6 -39.1-139.4 85.2 39.9 22.6 -5.4 21 38 A G S S+ 0 0 82 -2,-0.3 2,-0.3 3,-0.0 -2,-0.1 -0.206 141.9 14.1 78.4 -40.4 37.8 19.7 -6.9 22 39 A S S S- 0 0 79 -2,-1.0 -2,-2.1 -4,-0.0 2,-0.1 -0.942 103.8 -70.2-145.2 170.0 34.8 21.0 -4.8 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.384 53.9 157.0 -53.6 130.5 33.9 24.2 -2.9 24 41 A F E + 0 0 38 -6,-2.4 2,-0.3 1,-0.5 151,-0.2 0.520 58.6 5.1-134.4 -16.1 36.0 24.4 0.3 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.5 -0.968 62.6-122.5-158.2 164.0 36.0 28.1 1.4 26 43 A G E -J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.472 24.8-179.7 -97.6 177.8 34.6 31.5 0.5 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.933 23.0-119.3-164.6 175.3 36.4 34.8 -0.4 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.5 -0.995 19.4-129.5-129.9 128.4 35.5 38.4 -1.3 29 46 A L E + L 0 35C 0 -15,-2.5 74,-2.0 -2,-0.4 6,-0.2 -0.651 35.0 163.2 -75.6 119.6 36.5 40.2 -4.5 30 47 A I E + 0 0 22 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.499 68.3 12.4-113.7 -11.4 38.2 43.5 -3.5 31 48 A N E > S- L 0 34C 56 3,-1.4 3,-1.1 70,-0.1 -1,-0.4 -0.947 86.7-100.6-156.9 156.0 39.8 44.4 -6.9 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.800 126.6 33.4 -56.9 -25.7 39.4 43.0 -10.4 33 50 A Q T 3 S+ 0 0 70 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.451 112.7 70.1-104.7 -3.5 42.6 41.0 -9.8 34 51 A W E < -LM 31 89C 4 -3,-1.1 -4,-2.5 55,-0.2 -3,-1.4 -0.976 47.3-175.0-137.5 132.6 42.4 40.3 -6.0 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.4 -0.949 15.8-147.9-114.9 135.5 40.3 38.2 -3.6 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.4 -2,-0.4 51,-0.2 -0.850 32.2 145.1-103.2 140.4 40.6 38.3 0.2 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.4 -0.723 51.2 -62.5-150.9-168.8 40.0 35.1 2.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.773 32.6-137.0 -92.6 136.2 41.1 33.3 5.4 39 56 A A G > S+ 0 0 1 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.819 105.5 65.4 -61.7 -31.1 44.8 32.1 5.6 40 57 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.628 92.4 63.4 -68.1 -10.4 43.5 28.8 7.1 41 58 A b G < S+ 0 0 5 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.399 79.0 139.8 -84.2 0.4 41.8 28.2 3.6 42 59 A Y < + 0 0 111 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.1 -0.135 19.3 161.1 -50.9 131.5 45.3 28.1 2.0 43 60 A K - 0 0 83 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.953 46.6-120.1-138.6 159.3 46.0 25.5 -0.7 44 61 A S S S+ 0 0 77 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.791 103.3 31.3 -62.3 -32.8 48.8 25.4 -3.4 45 62 A R S S+ 0 0 193 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.994 71.7 171.9-134.9 129.8 46.2 25.5 -6.3 46 63 A I - 0 0 8 -2,-0.4 21,-2.7 21,-0.2 2,-0.5 -0.992 22.1-151.6-143.0 132.4 42.8 27.3 -6.1 47 64 A Q E -KN 19 66C 46 -28,-2.6 -28,-2.7 -2,-0.3 2,-0.5 -0.936 19.5-145.0 -99.9 124.8 40.2 27.9 -8.7 48 65 A V E -KN 18 65C 0 17,-2.6 17,-2.7 -2,-0.5 2,-0.6 -0.801 9.3-159.0 -92.0 129.6 38.2 31.1 -7.9 49 66 A R E -KN 17 64C 52 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.946 14.7-178.8-115.5 108.4 34.6 30.8 -8.9 50 67 A L E + N 0 63C 1 13,-2.9 13,-2.0 -2,-0.6 -34,-0.1 -0.669 59.6 32.5-101.4 159.7 32.9 34.2 -9.3 51 69 A G S S+ 0 0 3 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.741 84.5 150.0 71.5 21.6 29.3 35.0 -10.2 52 70 A E + 0 0 8 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.678 23.7 151.3 -88.0 149.4 27.9 31.8 -8.5 53 71 A H S S+ 0 0 13 -2,-0.3 82,-0.9 1,-0.3 2,-0.8 0.456 84.1 35.9-124.2 -64.5 24.6 31.2 -6.9 54 72 A N B > -P 134 0D 25 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.818 67.9-169.2 -85.5 105.8 24.2 27.5 -7.5 55 73 A I T 3 S+ 0 0 28 78,-2.2 -1,-0.1 -2,-0.8 79,-0.1 0.628 88.2 53.8 -71.0 -11.7 27.8 26.0 -7.1 56 74 A D T 3 S+ 0 0 110 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.485 108.3 53.4 -98.5 -3.9 26.4 22.7 -8.5 57 75 A V S < S- 0 0 71 -3,-1.2 2,-0.9 76,-0.2 -4,-0.3 -0.998 77.0-127.9-136.7 133.0 24.8 24.2 -11.8 58 76 A L + 0 0 135 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.674 32.9 171.8 -72.4 104.6 26.2 26.4 -14.6 59 77 A E - 0 0 97 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.627 52.6-104.1 -97.5 -14.9 23.6 29.2 -14.6 60 78 A G S S+ 0 0 66 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.388 104.4 79.5 109.2 4.8 25.5 31.4 -17.0 61 79 A N + 0 0 53 -10,-0.3 -9,-0.1 38,-0.1 2,-0.1 0.375 65.5 118.9-110.4 -1.9 27.0 34.2 -14.8 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.357 41.3-169.9 -69.9 145.9 30.0 32.2 -13.6 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-2.9 -2,-0.1 2,-0.6 -0.983 7.6-161.5-127.8 121.0 33.6 33.1 -14.2 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.918 18.0 170.3-105.0 118.1 36.1 30.4 -13.2 65 83 A I E -N 48 0C 13 -17,-2.7 -17,-2.6 -2,-0.6 2,-0.1 -0.983 28.0-130.6-137.1 120.8 39.6 31.9 -12.8 66 84 A N E -N 47 0C 88 -2,-0.4 25,-2.7 -19,-0.2 2,-0.3 -0.358 29.8-107.2 -67.8 145.8 42.7 30.1 -11.4 67 85 A A E -O 90 0C 23 -21,-2.7 23,-0.3 23,-0.2 -21,-0.2 -0.587 27.1-172.9 -66.6 134.1 44.8 31.8 -8.7 68 86 A A E S+ 0 0 64 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.756 76.6 19.5 -92.8 -37.5 48.2 33.0 -10.0 69 87 A K E -O 89 0C 81 20,-1.6 20,-2.3 2,-0.0 2,-0.4 -0.992 60.1-168.5-138.1 142.3 49.5 34.0 -6.5 70 88 A I E -O 88 0C 33 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.962 13.9-177.7-134.9 109.1 48.3 32.9 -3.0 71 89 A I E -O 87 0C 46 16,-2.9 16,-2.4 -2,-0.4 2,-0.2 -0.939 9.2-159.7-122.9 109.4 49.8 35.1 -0.1 72 90 A T E -O 86 0C 51 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.516 41.0 -87.1 -81.0 152.2 49.1 34.3 3.5 73 91 A H > - 0 0 19 12,-2.3 3,-2.1 10,-0.3 -1,-0.1 -0.407 36.4-128.2 -58.1 132.0 49.6 37.0 6.2 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.745 109.1 46.2 -60.0 -22.2 53.2 36.8 7.3 75 93 A N T 3 S+ 0 0 113 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.167 78.6 140.0-106.4 16.7 52.1 36.6 11.0 76 94 A F < - 0 0 53 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.412 42.0-151.6 -55.0 128.3 49.3 34.0 10.4 77 95 A N > - 0 0 70 5,-2.3 4,-2.3 -2,-0.1 5,-0.3 -0.940 4.0-160.1-106.4 107.7 49.3 31.6 13.3 78 96 A G T 4 S+ 0 0 56 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.652 89.3 47.1 -62.8 -16.5 48.0 28.2 12.1 79 97 A N T 4 S+ 0 0 141 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.933 124.9 23.6 -88.5 -62.1 47.2 27.1 15.7 80 98 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.674 97.1-129.3 -78.5 -17.2 45.4 30.2 17.2 81 99 A L >< + 0 0 34 -4,-2.3 3,-0.8 1,-0.2 -3,-0.1 0.601 48.2 162.8 66.5 20.4 44.2 31.5 13.8 82 100 A D T 3 + 0 0 34 -5,-0.3 -5,-2.3 1,-0.2 -1,-0.2 -0.420 67.5 18.0 -62.3 143.4 45.6 34.9 14.7 83 101 A N T 3 S- 0 0 18 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.898 81.2-178.6 55.3 46.0 46.0 37.0 11.5 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.449 36.1 113.0 -77.3 72.5 43.6 34.7 9.6 85 103 A I + 0 0 0 -2,-2.2 -12,-2.3 -47,-0.3 2,-0.3 -0.998 35.4 173.2-144.5 142.6 43.8 36.5 6.2 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.979 21.0-136.7-146.0 159.1 45.2 35.8 2.8 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.9 -2,-0.3 2,-0.5 -0.943 11.0-160.8-119.3 132.8 45.2 37.4 -0.7 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.7 -2,-0.4 2,-0.5 -0.981 6.4-154.2-115.8 119.3 44.6 35.6 -4.0 89 107 A K E -MO 34 69C 37 -20,-2.3 -21,-2.9 -2,-0.5 -20,-1.6 -0.855 21.8-129.4 -90.4 127.4 45.7 37.2 -7.2 90 108 A L E - 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