==== 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 1S81 . 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) . 9444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 15 6.7 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 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,-0.4 0.000 360.0 360.0 360.0 118.6 25.2 28.4 7.9 2 17 A V B +A 171 0A 8 169,-2.3 169,-1.8 1,-0.2 123,-0.1 -0.799 360.0 10.4 -93.2 136.1 22.8 27.2 10.7 3 18 A G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.723 102.8 112.1 73.0 23.3 19.6 29.3 11.1 4 19 A G - 0 0 31 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.022 59.3-115.2-102.1-156.1 20.0 31.4 8.0 5 20 A Y E -B 137 0B 101 132,-2.0 132,-3.2 -2,-0.1 2,-0.5 -0.943 35.2 -84.0-144.1 159.8 18.2 31.7 4.7 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.576 48.0-129.2 -67.5 116.2 18.8 31.1 1.0 7 22 A a - 0 0 3 128,-2.1 3,-0.1 -2,-0.5 128,-0.1 -0.346 30.9 -95.8 -55.7 147.7 20.6 34.2 -0.4 8 23 A A > - 0 0 67 1,-0.1 3,-2.3 2,-0.1 4,-0.2 -0.454 60.7 -82.3 -58.1 138.4 19.1 35.6 -3.6 9 24 A A T 3 S- 0 0 59 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.231 110.7 -6.0 -52.0 124.9 21.0 34.2 -6.6 10 25 A N T 3 S+ 0 0 31 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.635 93.4 126.0 62.6 17.3 24.2 36.1 -7.1 11 26 A S S < S+ 0 0 62 -3,-2.3 -2,-0.1 1,-0.2 -1,-0.1 0.514 73.2 52.0 -80.2 -4.3 23.3 38.7 -4.4 12 27 A I S > S+ 0 0 10 -4,-0.2 3,-1.7 87,-0.1 -1,-0.2 -0.753 71.7 169.5-127.4 65.7 26.7 38.0 -2.7 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.622 71.1 56.9 -73.4 -11.7 28.9 38.5 -5.8 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.502 82.9 107.0 -87.5 -14.2 32.2 38.5 -3.8 15 30 A Q E < -J 28 0C 4 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.539 49.9-175.5 -68.8 126.5 31.5 35.0 -2.4 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.2 -2,-0.3 2,-0.5 -0.858 21.6-136.3-114.8 161.8 33.6 32.2 -3.8 17 32 A S E -JK 26 49C 1 32,-2.3 32,-3.0 -2,-0.3 2,-0.5 -0.973 15.4-144.0-106.0 128.2 33.6 28.5 -3.4 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.4 -2,-0.5 7,-1.2 -0.844 25.8-165.3 -91.9 123.9 37.0 26.8 -3.0 19 34 A N E +JK 23 47C 14 28,-3.0 28,-2.7 -2,-0.5 4,-0.2 -0.939 31.8 166.0-119.1 133.8 36.9 23.4 -4.7 20 37 A S S S- 0 0 52 2,-2.3 2,-0.6 -2,-0.4 -2,-0.0 -0.721 96.6 -41.3-139.4 83.0 39.1 20.4 -4.6 21 38 A G S S+ 0 0 82 -2,-0.2 2,-0.3 26,-0.0 -2,-0.1 -0.241 142.0 15.1 82.6 -39.0 36.9 17.7 -6.3 22 39 A S S S- 0 0 80 -2,-0.6 -2,-2.3 -4,-0.1 2,-0.1 -0.942 104.7 -70.2-146.7 167.0 34.1 19.3 -4.2 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.369 51.4 157.9 -55.1 133.8 33.4 22.4 -2.2 24 41 A F E + 0 0 34 -6,-2.4 2,-0.3 1,-0.4 151,-0.3 0.541 58.8 6.2-132.1 -22.6 35.5 22.6 1.0 25 42 A b E -J 18 0C 7 -7,-1.2 -7,-3.1 151,-0.1 -1,-0.4 -0.985 62.1-119.9-155.0 166.2 35.7 26.3 2.0 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.438 26.6 177.2 -96.0 172.7 34.5 29.8 1.2 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.945 23.2-118.8-163.2 176.9 36.5 32.9 0.2 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -0.997 18.2-129.7-132.2 127.9 36.0 36.6 -0.8 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.2 -2,-0.4 6,-0.2 -0.605 35.9 162.0 -72.0 116.0 37.0 38.3 -4.0 30 47 A I E + 0 0 21 4,-2.2 2,-0.3 -2,-0.5 75,-0.2 0.578 67.3 12.3-118.5 -10.6 39.0 41.4 -2.9 31 48 A N E > S- L 0 34C 56 3,-1.5 3,-1.1 70,-0.1 -1,-0.4 -0.953 86.4 -99.0-155.6 159.4 40.8 42.2 -6.3 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-2.9 1,-0.3 60,-0.1 0.815 126.6 30.8 -51.4 -30.7 40.4 40.9 -9.9 33 50 A Q T 3 S+ 0 0 71 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.424 113.3 71.3-110.2 -1.1 43.3 38.5 -9.2 34 51 A W E < -LM 31 89C 2 -3,-1.1 -4,-2.2 55,-0.2 -3,-1.5 -0.982 46.1-174.2-135.3 134.9 43.0 37.8 -5.4 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.9 -2,-0.4 2,-0.4 -0.930 16.6-148.8-113.4 135.6 40.7 35.9 -3.0 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.4 -2,-0.4 51,-0.2 -0.895 30.9 147.1-104.0 140.9 41.1 36.0 0.7 37 54 A S E - M 0 86C 0 49,-2.8 49,-1.8 -2,-0.4 2,-0.4 -0.666 48.9 -64.9-148.4-165.3 40.2 33.0 2.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.2 47,-0.3 47,-0.3 -0.803 30.7-135.0 -98.4 135.7 41.3 31.2 6.2 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.1 1,-0.2 -1,-0.1 0.828 105.8 65.5 -59.6 -29.5 44.7 29.6 6.6 40 57 A H G 3 S+ 0 0 73 1,-0.3 -1,-0.2 41,-0.1 152,-0.0 0.713 93.8 63.5 -68.4 -16.3 43.0 26.5 8.1 41 58 A b G < S+ 0 0 4 -3,-1.2 -1,-0.3 -15,-0.1 -2,-0.2 0.340 77.7 141.4 -75.3 -0.3 41.5 26.0 4.6 42 59 A Y < + 0 0 120 -3,-2.1 2,-0.3 2,-0.0 -3,-0.1 -0.256 16.6 159.3 -57.2 133.1 44.9 25.5 3.1 43 60 A K - 0 0 82 1,-0.0 -2,-0.0 3,-0.0 3,-0.0 -0.938 43.1-129.3-136.6 155.3 45.2 22.9 0.3 44 61 A S S S+ 0 0 90 -2,-0.3 2,-0.4 1,-0.1 -2,-0.0 0.768 99.1 43.7 -80.1 -21.4 48.1 22.8 -2.2 45 62 A R S S+ 0 0 212 2,-0.0 2,-0.3 21,-0.0 -1,-0.1 -0.985 72.4 165.1-120.9 126.4 45.7 22.5 -5.2 46 63 A I - 0 0 8 -2,-0.4 21,-2.7 21,-0.3 2,-0.5 -0.966 24.3-158.9-142.3 135.5 42.5 24.8 -5.2 47 64 A Q E -KN 19 66C 50 -28,-2.7 -28,-3.0 -2,-0.3 2,-0.5 -0.948 20.5-143.9-105.3 125.4 40.1 25.7 -8.0 48 65 A V E -KN 18 65C 0 17,-2.7 17,-2.4 -2,-0.5 2,-0.6 -0.805 9.3-157.9 -88.0 132.0 38.2 29.0 -7.2 49 66 A R E -KN 17 64C 49 -32,-3.0 -32,-2.3 -2,-0.5 3,-0.3 -0.942 14.8-177.5-116.7 112.6 34.5 29.0 -8.3 50 67 A L E + N 0 63C 2 13,-2.7 13,-1.9 -2,-0.6 -34,-0.1 -0.739 60.7 32.2-101.9 158.9 33.2 32.5 -8.7 51 69 A G S S+ 0 0 4 -36,-0.5 2,-0.3 -38,-0.3 10,-0.3 0.759 84.6 153.4 70.9 24.4 29.6 33.6 -9.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.645 23.4 151.0 -87.1 146.6 28.1 30.5 -8.0 53 71 A H S S+ 0 0 15 1,-0.3 82,-1.1 -2,-0.3 2,-0.8 0.490 83.3 33.9-122.1 -59.4 24.6 30.1 -6.5 54 72 A N B > -P 134 0D 25 3,-0.3 3,-1.0 80,-0.2 -1,-0.3 -0.880 67.1-169.6 -93.3 105.6 24.0 26.4 -7.0 55 73 A I T 3 S+ 0 0 26 78,-2.1 -1,-0.1 -2,-0.8 79,-0.1 0.660 86.0 56.8 -70.0 -14.0 27.4 24.7 -6.5 56 74 A D T 3 S+ 0 0 109 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.490 108.5 45.9 -97.0 -5.6 25.9 21.4 -7.8 57 75 A V S < S- 0 0 78 -3,-1.0 2,-0.5 76,-0.2 -3,-0.3 -1.000 78.2-122.4-141.2 140.2 24.6 22.7 -11.2 58 76 A L + 0 0 133 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.691 32.9 170.4 -76.5 117.0 26.1 24.9 -13.9 59 77 A E - 0 0 106 -2,-0.5 -1,-0.1 -5,-0.1 -7,-0.0 0.541 53.3-103.0-112.3 -15.2 23.7 27.9 -14.3 60 78 A G S S+ 0 0 66 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.269 104.1 80.3 114.7 -6.7 25.8 30.1 -16.6 61 79 A N + 0 0 51 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.393 66.1 116.2-103.5 0.4 27.3 32.8 -14.4 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.363 42.9-168.7 -75.6 150.2 30.2 30.6 -13.1 63 81 A Q E -N 50 0C 35 -13,-1.9 -13,-2.7 -2,-0.1 2,-0.5 -0.978 7.8-161.6-130.6 120.1 33.9 31.3 -13.7 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.939 18.1 169.4-103.8 121.7 36.2 28.4 -12.6 65 83 A I E -N 48 0C 14 -17,-2.4 -17,-2.7 -2,-0.5 -2,-0.1 -0.989 28.8-127.6-140.1 123.0 39.8 29.6 -12.2 66 84 A N E -N 47 0C 93 -2,-0.4 25,-2.4 -19,-0.2 2,-0.4 -0.320 29.4-107.0 -69.5 152.0 42.7 27.6 -10.7 67 85 A A E -O 90 0C 22 -21,-2.7 -21,-0.3 23,-0.2 23,-0.2 -0.665 29.2-175.0 -78.0 132.3 44.8 29.1 -7.9 68 86 A A E S+ 0 0 62 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.760 74.8 20.2 -93.4 -39.5 48.3 30.0 -9.1 69 87 A K E -O 89 0C 83 20,-1.1 20,-2.1 2,-0.0 2,-0.4 -0.983 60.7-167.9-134.8 141.9 49.7 31.0 -5.6 70 88 A I E -O 88 0C 38 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.982 13.0-178.0-134.6 111.1 48.4 30.1 -2.1 71 89 A I E -O 87 0C 47 16,-2.9 16,-2.8 -2,-0.4 2,-0.2 -0.931 9.2-161.6-126.0 102.6 49.9 32.2 0.7 72 90 A T E -O 86 0C 54 -2,-0.5 14,-0.3 14,-0.3 12,-0.1 -0.529 41.8 -88.7 -73.6 147.3 49.1 31.5 4.3 73 91 A H > - 0 0 17 12,-2.6 3,-2.1 10,-0.3 -1,-0.1 -0.328 34.8-130.9 -54.7 132.0 49.8 34.3 6.9 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.764 106.7 48.3 -67.6 -18.1 53.4 33.7 8.1 75 93 A N T 3 S+ 0 0 108 8,-0.1 9,-0.1 2,-0.1 -2,-0.1 0.235 77.6 139.5-102.3 12.7 52.3 33.9 11.8 76 94 A F < - 0 0 61 -3,-2.1 2,-0.5 7,-0.2 7,-0.2 -0.336 37.0-160.5 -53.9 126.9 49.3 31.5 11.4 77 95 A N > - 0 0 72 5,-2.1 4,-2.0 1,-0.1 5,-0.3 -0.980 10.4-159.2-117.0 116.3 49.1 29.4 14.5 78 96 A G T 4 S+ 0 0 56 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.521 89.9 51.0 -73.4 -11.7 47.1 26.1 14.1 79 97 A N T 4 S+ 0 0 144 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.911 124.3 23.0 -87.0 -60.7 46.6 25.7 17.9 80 98 A T T 4 S- 0 0 64 2,-0.1 -2,-0.2 1,-0.0 77,-0.2 0.619 96.2-133.4 -82.4 -15.1 45.3 29.2 18.8 81 99 A L >< + 0 0 36 -4,-2.0 3,-0.9 1,-0.2 -3,-0.2 0.507 48.2 160.1 58.2 19.2 44.0 30.0 15.2 82 100 A D T 3 + 0 0 35 -5,-0.3 -5,-2.1 1,-0.2 -1,-0.2 -0.370 64.5 17.2 -60.2 140.4 45.7 33.4 15.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.861 77.5 175.7 58.8 43.9 46.3 35.0 12.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.486 33.7 117.8 -81.6 80.1 43.8 32.6 10.4 85 103 A I - 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