==== 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 23-JAN-04 1S6F . 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) . 9480.0 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 . 69 30.9 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 . 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 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 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 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.8 25.3 29.5 7.3 2 17 A V B +A 171 0A 6 169,-3.0 169,-1.7 1,-0.2 123,-0.1 -0.860 360.0 8.6 -99.8 133.8 22.9 28.2 10.1 3 18 A G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.738 103.7 112.4 76.5 21.6 19.6 30.0 10.6 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 120,-0.1 134,-0.2 -0.042 61.4-112.9-103.9-153.1 19.9 32.2 7.5 5 20 A Y E -B 137 0B 100 132,-2.2 132,-3.2 -2,-0.1 2,-0.4 -0.950 34.1 -88.8-145.2 157.9 18.1 32.4 4.2 6 21 A T E -B 136 0B 65 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.595 49.2-124.3 -72.6 124.2 18.9 31.7 0.6 7 22 A a - 0 0 4 128,-2.2 3,-0.1 -2,-0.4 128,-0.1 -0.354 31.9 -93.8 -61.1 152.0 20.3 34.9 -0.9 8 23 A A > - 0 0 68 1,-0.1 3,-2.1 2,-0.1 4,-0.2 -0.414 64.5 -81.4 -55.4 138.9 18.5 36.4 -4.0 9 24 A A T 3 S- 0 0 51 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.259 110.0 -6.1 -56.1 128.3 20.5 35.0 -7.0 10 25 A N T 3 S+ 0 0 22 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.620 92.4 126.7 61.1 15.6 23.7 37.0 -7.6 11 26 A S S < S+ 0 0 62 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.513 71.4 53.9 -77.5 -4.1 22.7 39.7 -5.0 12 27 A I S > S+ 0 0 9 -4,-0.2 3,-2.0 87,-0.1 -1,-0.2 -0.717 70.7 169.9-125.1 63.5 26.2 39.2 -3.3 13 28 A P T 3 S+ 0 0 27 0, 0.0 88,-1.1 0, 0.0 38,-0.4 0.686 71.1 57.2 -67.8 -14.5 28.3 39.8 -6.4 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.567 82.7 106.4 -85.9 -13.2 31.6 40.0 -4.5 15 30 A Q E < -J 28 0C 4 -3,-2.0 37,-0.4 13,-0.2 36,-0.4 -0.576 49.6-175.5 -69.7 129.3 31.1 36.5 -3.0 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.2 -2,-0.4 2,-0.5 -0.848 20.5-137.1-116.6 160.6 33.4 33.8 -4.5 17 32 A S E -JK 26 49C 0 32,-2.0 32,-2.8 -2,-0.3 2,-0.5 -0.963 15.2-142.9-110.8 128.8 33.6 30.1 -4.0 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.3 -2,-0.5 7,-1.0 -0.841 24.2-166.2 -91.9 129.7 37.0 28.6 -3.7 19 34 A N E +JK 23 47C 14 28,-2.8 28,-2.5 -2,-0.5 4,-0.2 -0.937 30.5 164.5-131.0 129.6 37.1 25.2 -5.5 20 37 A S S S- 0 0 60 2,-2.2 2,-0.5 -2,-0.4 26,-0.0 -0.732 97.5 -39.9-138.0 80.0 39.6 22.4 -5.4 21 38 A G S S+ 0 0 81 -2,-0.2 2,-0.3 26,-0.0 -2,-0.1 -0.121 142.0 14.5 87.1 -37.4 37.6 19.5 -6.9 22 39 A S S S- 0 0 78 -2,-0.5 -2,-2.2 -4,-0.1 2,-0.1 -0.961 103.4 -71.6-149.9 167.4 34.7 20.9 -4.8 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.386 53.1 156.6 -54.4 134.8 33.8 24.0 -2.9 24 41 A F E + 0 0 39 -6,-2.3 2,-0.3 1,-0.5 153,-0.2 0.515 59.2 7.5-138.1 -16.4 35.8 24.2 0.3 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.5 -0.970 62.5-122.4-160.7 163.9 35.9 28.0 1.3 26 43 A G E -J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.492 25.0-179.9-100.4 172.4 34.5 31.4 0.5 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.943 22.9-119.9-162.0 175.1 36.3 34.6 -0.5 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.989 18.7-131.1-128.5 125.1 35.6 38.3 -1.4 29 46 A L E + L 0 35C 0 -15,-2.5 74,-2.1 -2,-0.4 6,-0.2 -0.672 34.5 162.9 -70.3 116.8 36.5 40.0 -4.6 30 47 A I E + 0 0 22 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.557 67.8 12.5-114.8 -8.2 38.2 43.3 -3.6 31 48 A N E > S- L 0 34C 57 3,-1.3 3,-1.1 70,-0.1 -1,-0.3 -0.946 86.8-100.4-155.6 159.9 39.8 44.2 -7.0 32 49 A S T 3 S+ 0 0 36 -2,-0.3 62,-3.0 1,-0.3 60,-0.1 0.804 126.4 35.0 -59.9 -23.2 39.4 42.8 -10.5 33 50 A Q T 3 S+ 0 0 71 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.510 112.4 68.0-105.9 -4.9 42.6 40.8 -9.9 34 51 A W E < -LM 31 89C 3 -3,-1.1 -4,-2.3 55,-0.2 -3,-1.3 -0.977 46.6-173.6-136.2 138.6 42.3 40.0 -6.2 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.6 -2,-0.4 2,-0.4 -0.930 16.9-147.6-112.4 134.9 40.3 37.9 -3.7 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 51,-0.2 -0.860 32.2 149.2-102.7 137.0 40.6 38.1 0.1 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.0 -2,-0.4 2,-0.4 -0.675 49.6 -65.7-146.8-169.9 40.0 34.9 2.1 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 47,-0.3 -0.828 32.5-137.5 -90.9 131.2 41.1 33.1 5.3 39 56 A A G > S+ 0 0 1 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.857 104.6 65.6 -59.2 -31.3 44.7 31.9 5.6 40 57 A H G 3 S+ 0 0 72 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.672 92.7 63.0 -65.2 -12.4 43.4 28.6 7.1 41 58 A b G < S+ 0 0 5 -3,-2.1 -1,-0.3 -15,-0.1 -2,-0.2 0.360 78.8 140.4 -82.8 -1.7 41.7 27.9 3.7 42 59 A Y < + 0 0 118 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.177 18.3 160.6 -52.6 132.7 45.2 27.8 2.0 43 60 A K - 0 0 85 1,-0.0 -2,-0.0 3,-0.0 3,-0.0 -0.959 46.2-121.5-138.0 157.4 45.8 25.2 -0.7 44 61 A S S S+ 0 0 95 -2,-0.3 2,-0.4 1,-0.1 26,-0.1 0.750 101.9 36.2 -74.0 -22.6 48.6 25.4 -3.3 45 62 A R S S+ 0 0 216 2,-0.0 2,-0.3 21,-0.0 -1,-0.1 -1.000 71.2 167.2-129.7 135.2 46.1 25.3 -6.3 46 63 A I - 0 0 7 -2,-0.4 21,-3.0 21,-0.2 2,-0.5 -0.986 24.4-151.2-145.9 132.0 42.7 27.0 -6.1 47 64 A Q E -KN 19 66C 44 -28,-2.5 -28,-2.8 -2,-0.3 2,-0.4 -0.934 19.9-144.2 -97.7 128.3 40.1 27.8 -8.8 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.786 8.9-157.5 -92.8 130.7 38.1 30.9 -7.9 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.0 -2,-0.4 3,-0.3 -0.945 15.1-176.8-114.4 108.6 34.4 30.7 -9.0 50 67 A L E + N 0 63C 1 13,-3.0 13,-1.8 -2,-0.6 -34,-0.1 -0.637 60.4 29.8 -98.9 163.1 32.8 34.1 -9.4 51 69 A G S S+ 0 0 3 -36,-0.4 10,-0.3 -38,-0.4 2,-0.3 0.745 85.6 151.4 59.7 28.2 29.2 35.0 -10.3 52 70 A E + 0 0 8 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.634 22.8 150.6 -84.8 148.4 27.9 31.8 -8.6 53 71 A H S S+ 0 0 16 1,-0.3 82,-1.2 4,-0.3 2,-0.8 0.424 82.7 35.8-127.5 -56.8 24.6 31.2 -6.9 54 72 A N B > -P 134 0D 22 3,-0.3 3,-1.1 80,-0.2 -1,-0.3 -0.877 68.3-167.7 -91.0 106.9 24.0 27.5 -7.5 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.614 87.7 54.9 -73.1 -7.3 27.6 25.9 -7.2 56 74 A D T 3 S+ 0 0 119 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.484 107.1 50.0-101.2 -6.0 26.1 22.7 -8.7 57 75 A V S < S- 0 0 74 -3,-1.1 2,-0.6 76,-0.2 -3,-0.3 -0.999 77.6-126.0-134.6 137.8 24.6 24.2 -11.9 58 76 A L + 0 0 131 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.703 31.8 174.3 -75.9 113.3 26.0 26.4 -14.6 59 77 A E - 0 0 98 -2,-0.6 -1,-0.2 -5,-0.2 -7,-0.0 0.416 52.2-102.7-107.6 -3.2 23.4 29.3 -14.6 60 78 A G S S+ 0 0 68 2,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.408 105.4 79.5 98.8 2.2 25.3 31.5 -17.1 61 79 A N + 0 0 47 -10,-0.3 -9,-0.1 38,-0.1 2,-0.1 0.412 65.2 118.7-108.7 -5.6 26.9 34.2 -14.9 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.350 40.5-170.7 -68.7 145.4 29.9 32.1 -13.7 63 81 A Q E -N 50 0C 38 -13,-1.8 -13,-3.0 -2,-0.1 2,-0.5 -0.992 8.1-160.8-128.7 122.3 33.6 33.0 -14.3 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.947 17.9 172.5-106.8 116.2 36.0 30.2 -13.3 65 83 A I E -N 48 0C 11 -17,-2.8 -17,-2.9 -2,-0.5 2,-0.1 -0.986 26.8-130.8-135.8 118.4 39.5 31.7 -12.9 66 84 A N E -N 47 0C 91 -2,-0.4 25,-2.6 -19,-0.3 26,-0.3 -0.425 29.4-108.1 -66.1 144.6 42.6 29.9 -11.5 67 85 A A E -O 90 0C 22 -21,-3.0 23,-0.2 23,-0.2 -21,-0.2 -0.538 27.7-173.8 -67.7 133.7 44.7 31.5 -8.8 68 86 A A E S+ 0 0 62 21,-3.0 2,-0.3 1,-0.3 22,-0.2 0.696 75.4 19.3 -95.8 -32.5 48.1 32.7 -10.1 69 87 A K E -O 89 0C 82 20,-1.5 20,-2.8 2,-0.0 2,-0.4 -0.995 59.6-168.6-141.8 139.6 49.4 33.7 -6.6 70 88 A I E -O 88 0C 34 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.968 12.9-177.3-131.0 111.4 48.2 32.7 -3.1 71 89 A I E -O 87 0C 45 16,-2.9 16,-2.5 -2,-0.4 2,-0.2 -0.948 9.5-158.8-122.7 108.3 49.8 34.8 -0.2 72 90 A T E -O 86 0C 52 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.550 40.2 -89.7 -79.3 148.9 49.0 34.1 3.5 73 91 A H > - 0 0 17 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.369 35.8-127.1 -57.1 135.4 49.6 36.8 6.0 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.764 108.6 46.8 -63.7 -22.9 53.2 36.5 7.3 75 93 A N T 3 S+ 0 0 111 8,-0.1 2,-0.1 2,-0.1 9,-0.1 0.248 78.3 139.8-107.1 15.4 52.0 36.4 10.9 76 94 A F < - 0 0 53 -3,-1.8 2,-0.7 9,-0.1 7,-0.2 -0.333 42.2-151.5 -52.8 124.8 49.2 33.8 10.4 77 95 A N > - 0 0 70 5,-2.4 4,-2.1 1,-0.1 5,-0.3 -0.935 4.5-159.4-105.3 109.5 49.2 31.4 13.3 78 96 A G T 4 S+ 0 0 57 -2,-0.7 -1,-0.1 2,-0.2 -2,-0.0 0.619 89.6 44.9 -61.5 -19.6 47.8 28.0 12.1 79 97 A N T 4 S+ 0 0 145 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.915 125.2 25.0 -91.6 -60.4 47.0 27.0 15.7 80 98 A T T 4 S- 0 0 64 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.660 97.3-130.8 -78.0 -18.3 45.2 30.1 17.2 81 99 A L >< + 0 0 32 -4,-2.1 3,-0.8 1,-0.2 -3,-0.1 0.612 46.9 163.3 63.9 20.9 44.1 31.4 13.8 82 100 A D T 3 + 0 0 33 -5,-0.3 -5,-2.4 1,-0.2 -1,-0.2 -0.446 67.0 17.3 -61.6 142.3 45.5 34.9 14.6 83 101 A N T 3 S- 0 0 17 -7,-0.2 2,-2.3 1,-0.2 -10,-0.3 0.901 80.3-178.6 58.8 46.9 45.8 36.9 11.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.429 35.7 115.1 -80.6 76.2 43.5 34.6 9.5 85 103 A I + 0 0 0 -2,-2.3 -12,-2.3 -47,-0.3 2,-0.3 -0.998 34.4 172.7-145.3 139.7 43.8 36.4 6.2 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-2.6 -2,-0.3 2,-0.4 -0.976 21.0-137.5-144.8 155.5 45.2 35.5 2.6 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.5 -0.933 11.0-160.6-116.0 137.4 45.2 37.2 -0.8 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.3 -2,-0.4 2,-0.5 -0.982 6.7-152.8-118.7 119.7 44.6 35.3 -4.0 89 107 A K E -MO 34 69C 37 -20,-2.8 -21,-3.0 -2,-0.5 -20,-1.5 -0.871 21.0-129.2 -92.1 128.1 45.7 36.9 -7.3 90 108 A L E - 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