==== 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 1S82 . 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) . 9437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 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 . 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.7 25.3 29.3 7.4 2 17 A V B +A 171 0A 7 169,-2.8 169,-1.7 1,-0.2 123,-0.1 -0.871 360.0 12.0-100.0 135.9 22.9 28.1 10.1 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.677 104.1 113.1 78.7 14.5 19.6 30.0 10.7 4 19 A G - 0 0 30 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.050 60.9-117.8 -96.6-155.7 20.0 32.1 7.6 5 20 A Y E -B 137 0B 98 132,-2.2 132,-3.0 -3,-0.1 2,-0.4 -0.955 34.8 -86.7-145.4 158.7 18.1 32.3 4.3 6 21 A T E -B 136 0B 68 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.591 49.3-123.9 -71.6 124.9 18.9 31.7 0.6 7 22 A a - 0 0 4 128,-2.4 3,-0.1 -2,-0.4 128,-0.1 -0.369 31.2 -96.8 -59.6 146.4 20.4 34.9 -0.8 8 23 A A > - 0 0 68 1,-0.1 3,-1.9 3,-0.1 4,-0.2 -0.408 64.1 -79.7 -52.4 140.9 18.6 36.4 -3.9 9 24 A A T 3 S- 0 0 51 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.290 109.8 -7.7 -55.6 126.9 20.6 35.1 -6.9 10 25 A N T 3 S+ 0 0 21 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.624 92.7 126.9 61.2 17.2 23.8 37.1 -7.5 11 26 A S S < S+ 0 0 62 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.490 72.0 53.9 -78.4 -4.3 22.8 39.7 -4.8 12 27 A I S > S+ 0 0 8 -4,-0.2 3,-1.9 87,-0.1 -1,-0.2 -0.711 71.5 170.0-124.0 66.8 26.3 39.1 -3.1 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-1.1 0, 0.0 38,-0.4 0.654 70.9 57.0 -69.2 -14.4 28.4 39.8 -6.2 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.548 82.2 106.6 -87.6 -12.5 31.7 39.9 -4.3 15 30 A Q E < -J 28 0C 4 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.570 49.4-176.4 -69.3 129.6 31.2 36.4 -2.9 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.870 20.9-136.1-116.9 159.7 33.4 33.7 -4.4 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.5 -0.954 15.1-141.9-108.2 130.7 33.6 30.0 -3.9 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.5 7,-1.1 -0.856 24.7-168.3 -92.1 126.0 37.1 28.5 -3.6 19 34 A N E +JK 23 47C 13 28,-2.6 28,-2.7 -2,-0.5 4,-0.2 -0.950 30.5 165.8-127.9 134.8 37.1 25.1 -5.4 20 37 A S S S- 0 0 60 2,-1.8 3,-0.1 -2,-0.4 -1,-0.1 -0.195 98.9 -40.5-134.2 33.4 39.7 22.3 -5.4 21 38 A G S S+ 0 0 75 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.239 141.9 17.9 116.2 -34.0 37.5 19.6 -7.0 22 39 A S S S- 0 0 77 -4,-0.1 -2,-1.8 0, 0.0 2,-0.1 -0.957 104.3 -72.5-149.1 166.3 34.6 20.9 -4.9 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.378 53.7 157.7 -54.2 132.3 33.7 24.0 -2.9 24 41 A F E + 0 0 37 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.541 59.6 4.7-133.4 -18.7 35.9 24.1 0.3 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.970 63.7-121.4-157.2 164.0 36.0 27.8 1.4 26 43 A G E +J 17 0C 0 151,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.467 26.0 179.1 -96.1 176.1 34.5 31.3 0.6 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.943 22.8-119.0-165.2 176.8 36.3 34.5 -0.3 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -0.992 18.4-129.9-131.3 127.4 35.6 38.1 -1.3 29 46 A L E + L 0 35C 0 -15,-2.4 74,-1.9 -2,-0.4 6,-0.2 -0.657 35.0 162.2 -73.7 118.2 36.5 39.9 -4.5 30 47 A I E + 0 0 22 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.503 68.2 14.7-115.1 -8.4 38.3 43.2 -3.5 31 48 A N E > S- L 0 34C 49 3,-1.3 3,-1.4 70,-0.1 -1,-0.4 -0.939 86.7-101.5-157.3 155.6 40.0 44.1 -6.8 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-2.8 1,-0.3 60,-0.1 0.812 127.0 32.9 -54.6 -27.3 39.5 42.8 -10.4 33 50 A Q T 3 S+ 0 0 69 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.430 112.9 69.3-107.1 -2.5 42.6 40.7 -9.8 34 51 A W E < -LM 31 89C 3 -3,-1.4 -4,-2.4 55,-0.2 -3,-1.3 -0.980 46.8-174.1-137.7 134.6 42.4 39.9 -6.0 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.933 16.2-147.5-113.9 137.9 40.3 37.8 -3.6 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.2 -0.868 31.5 147.5-106.5 139.4 40.7 37.9 0.2 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.1 -2,-0.4 2,-0.4 -0.723 50.6 -65.0-150.3-170.8 40.0 34.7 2.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.794 33.2-134.8 -91.2 134.8 41.2 33.0 5.4 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.852 106.2 65.1 -57.9 -31.1 44.8 31.7 5.6 40 57 A H G 3 S+ 0 0 74 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.661 92.8 62.7 -67.9 -10.9 43.5 28.4 7.1 41 58 A b G < S+ 0 0 5 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.399 79.5 139.2 -82.0 -1.8 41.7 27.9 3.7 42 59 A Y < + 0 0 116 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.175 19.0 160.4 -52.6 131.8 45.2 27.7 2.0 43 60 A K - 0 0 85 1,-0.0 -2,-0.0 3,-0.0 3,-0.0 -0.955 45.8-123.9-139.2 154.5 45.8 25.1 -0.7 44 61 A S S S+ 0 0 69 -2,-0.3 2,-0.4 1,-0.1 26,-0.1 0.763 102.2 38.8 -72.6 -23.0 48.6 25.3 -3.4 45 62 A R S S+ 0 0 199 2,-0.0 2,-0.3 -25,-0.0 -1,-0.1 -0.998 71.0 165.2-126.4 133.3 46.0 25.1 -6.2 46 63 A I - 0 0 6 -2,-0.4 21,-2.7 21,-0.2 2,-0.5 -0.983 24.9-152.6-145.5 132.8 42.7 26.9 -6.0 47 64 A Q E -KN 19 66C 46 -28,-2.7 -28,-2.6 -2,-0.3 2,-0.4 -0.952 20.0-143.7-102.1 121.9 40.1 27.7 -8.7 48 65 A V E -KN 18 65C 0 17,-2.4 17,-2.6 -2,-0.5 2,-0.6 -0.749 10.0-158.4 -86.4 131.7 38.1 30.8 -7.9 49 66 A R E -KN 17 64C 49 -32,-2.7 -32,-2.2 -2,-0.4 3,-0.3 -0.942 14.8-178.6-118.3 107.6 34.5 30.6 -8.9 50 67 A L E + N 0 63C 1 13,-2.9 13,-1.9 -2,-0.6 -34,-0.1 -0.673 60.1 32.1-101.9 161.2 32.8 34.0 -9.3 51 69 A G S S+ 0 0 3 -36,-0.5 10,-0.3 -38,-0.4 2,-0.2 0.685 84.7 149.7 66.7 20.3 29.2 34.9 -10.2 52 70 A E + 0 0 8 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.565 22.0 149.4 -80.0 149.6 27.9 31.7 -8.5 53 71 A H S S+ 0 0 15 4,-0.3 82,-1.0 1,-0.2 2,-0.8 0.357 84.1 36.8-128.1 -59.3 24.5 31.2 -6.8 54 72 A N B > -P 134 0D 25 3,-0.2 3,-1.1 80,-0.2 -1,-0.2 -0.829 68.1-170.6 -88.4 103.2 24.0 27.5 -7.5 55 73 A I T 3 S+ 0 0 28 78,-2.3 -1,-0.1 -2,-0.8 79,-0.1 0.589 87.2 55.0 -70.3 -8.6 27.6 25.9 -7.1 56 74 A D T 3 S+ 0 0 111 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.426 108.6 49.8-102.7 -2.2 26.1 22.6 -8.5 57 75 A V S < S- 0 0 74 -3,-1.1 2,-0.7 76,-0.2 -4,-0.3 -0.992 76.6-128.1-139.5 134.7 24.6 24.2 -11.8 58 76 A L + 0 0 128 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.1 -0.697 31.5 172.9 -73.7 107.6 26.0 26.4 -14.5 59 77 A E - 0 0 103 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.446 53.2-103.1-102.2 -6.2 23.4 29.2 -14.6 60 78 A G S S+ 0 0 64 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.360 104.1 82.0 103.6 -0.6 25.4 31.4 -17.0 61 79 A N + 0 0 51 -10,-0.3 2,-0.1 38,-0.1 -9,-0.1 0.380 65.5 119.1-103.7 -2.3 26.9 34.2 -14.8 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.386 40.8-171.1 -73.1 146.6 29.9 32.1 -13.6 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-2.9 -2,-0.1 2,-0.5 -0.992 7.6-161.6-128.9 123.2 33.6 32.9 -14.2 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.949 17.7 171.5-107.9 116.6 36.1 30.2 -13.2 65 83 A I E -N 48 0C 13 -17,-2.6 -17,-2.4 -2,-0.5 -2,-0.1 -0.982 27.3-130.9-135.9 116.6 39.6 31.7 -12.9 66 84 A N E -N 47 0C 91 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.365 29.3-107.2 -64.8 146.5 42.6 29.8 -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 28.6-174.7 -67.3 131.5 44.7 31.4 -8.7 68 86 A A E S+ 0 0 64 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.702 75.9 22.0 -93.9 -31.8 48.1 32.6 -10.0 69 87 A K E -O 89 0C 82 20,-1.5 20,-2.6 2,-0.0 2,-0.4 -0.997 60.1-170.4-141.4 137.9 49.4 33.7 -6.5 70 88 A I E -O 88 0C 35 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.974 12.2-178.0-133.4 110.5 48.3 32.6 -3.0 71 89 A I E -O 87 0C 47 16,-2.8 16,-2.5 -2,-0.4 2,-0.2 -0.947 9.5-159.2-122.1 107.3 49.8 34.7 -0.2 72 90 A T E -O 86 0C 53 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.528 41.1 -88.1 -78.3 150.4 49.1 33.9 3.5 73 91 A H > - 0 0 18 12,-2.4 3,-2.0 10,-0.3 -1,-0.1 -0.395 36.8-128.5 -57.9 133.3 49.6 36.6 6.1 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.738 108.5 46.3 -62.8 -21.8 53.3 36.3 7.2 75 93 A N T 3 S+ 0 0 111 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.215 78.7 140.5-105.1 12.9 52.1 36.2 10.9 76 94 A F < - 0 0 52 -3,-2.0 2,-0.7 9,-0.1 7,-0.2 -0.380 41.7-151.9 -56.7 123.7 49.3 33.7 10.4 77 95 A N > - 0 0 72 5,-2.3 4,-1.9 -2,-0.1 5,-0.3 -0.941 4.6-159.1-103.1 110.1 49.3 31.3 13.3 78 96 A G T 4 S+ 0 0 59 -2,-0.7 -1,-0.1 2,-0.2 -2,-0.0 0.624 89.2 45.9 -63.6 -18.1 47.9 27.9 12.2 79 97 A N T 4 S+ 0 0 139 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.928 124.5 24.9 -89.7 -63.1 47.1 26.9 15.8 80 98 A T T 4 S- 0 0 67 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.625 97.1-130.9 -77.5 -16.3 45.4 30.0 17.3 81 99 A L >< + 0 0 33 -4,-1.9 3,-0.8 1,-0.3 -3,-0.1 0.612 47.9 162.0 60.6 22.4 44.2 31.3 13.9 82 100 A D T 3 + 0 0 33 -5,-0.3 -5,-2.3 1,-0.2 -1,-0.3 -0.486 67.6 18.1 -61.1 141.0 45.6 34.7 14.7 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.906 80.6 179.9 59.3 47.2 46.0 36.7 11.5 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.446 35.7 112.4 -80.7 74.5 43.7 34.4 9.6 85 103 A I + 0 0 0 -2,-2.2 -12,-2.4 -47,-0.3 2,-0.3 -0.998 35.5 173.5-146.5 143.0 43.9 36.1 6.2 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.4 -2,-0.3 2,-0.4 -0.974 20.5-137.0-145.4 158.1 45.3 35.4 2.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.5 -0.938 10.7-159.8-118.8 138.6 45.2 37.0 -0.7 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.5 -0.983 6.3-153.1-120.0 118.3 44.7 35.2 -4.0 89 107 A K E -MO 34 69C 39 -20,-2.6 -21,-2.9 -2,-0.5 -20,-1.5 -0.837 22.0-130.1 -88.1 128.0 45.8 36.9 -7.3 90 108 A L E - 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