==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 25-APR-88 2TRM . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR R.M.STROUD,J.FINER-MOORE . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9501.0 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 . 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 . 1 0.4 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.1 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 3 1 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,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.1 0.3 49.6 50.5 2 17 A V B +A 171 0A 7 169,-3.6 169,-1.7 1,-0.2 123,-0.1 -0.904 360.0 4.1-107.2 129.6 -1.0 53.0 51.8 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 167,-0.1 0.680 101.1 124.0 74.9 21.2 -2.7 55.4 49.4 4 19 A G - 0 0 28 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.217 57.9-113.6 -97.0-170.3 -2.5 53.0 46.4 5 20 A Y E -B 137 0B 110 132,-2.8 132,-3.1 -2,-0.1 2,-0.6 -0.799 33.7 -95.1-124.1 160.4 -5.2 51.6 44.1 6 21 A T E -B 136 0B 66 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.790 49.6-117.9 -82.2 115.6 -6.5 48.0 43.7 7 22 A a - 0 0 3 128,-0.8 3,-0.1 -2,-0.6 128,-0.1 -0.239 26.0-100.0 -60.2 142.4 -4.6 46.4 40.8 8 23 A Q > - 0 0 157 1,-0.2 3,-2.1 2,-0.1 4,-0.2 -0.413 66.6 -87.8 -55.5 124.9 -6.3 45.2 37.7 9 24 A E T 3 S+ 0 0 110 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.188 107.8 2.5 -50.0 124.7 -6.5 41.5 38.6 10 25 A N T 3 S+ 0 0 22 42,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.638 90.3 127.8 74.6 19.6 -3.4 39.5 37.6 11 26 A S S < S+ 0 0 65 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.480 71.4 49.5 -81.3 -5.6 -1.8 42.7 36.3 12 27 A V > + 0 0 6 -4,-0.2 3,-1.6 1,-0.1 -1,-0.3 -0.671 65.5 162.7-129.4 69.8 1.4 42.0 38.4 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.678 72.0 64.7 -66.3 -22.2 2.0 38.4 37.4 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.7 88,-0.2 2,-0.4 0.581 85.0 100.7 -75.6 -13.7 5.5 38.7 38.7 15 30 A Q E < -J 28 0C 5 -3,-1.6 36,-0.4 13,-0.2 37,-0.4 -0.652 50.1-179.2 -79.0 125.7 4.1 39.2 42.2 16 31 A V E -J 27 0C 0 11,-4.2 11,-2.0 -2,-0.4 2,-0.4 -0.884 19.5-138.4-123.8 155.7 4.0 36.4 44.9 17 32 A S E -JK 26 49C 0 32,-2.0 32,-2.1 -2,-0.3 2,-0.6 -0.868 16.6-135.7-106.6 138.5 2.7 36.0 48.5 18 33 A L E -JK 25 48C 0 7,-2.0 6,-1.6 -2,-0.4 7,-0.8 -0.880 21.3-154.3 -98.7 125.6 4.6 34.1 51.2 19 34 A N E +JK 23 47C 18 28,-3.7 28,-2.4 -2,-0.6 4,-0.2 -0.886 33.0 162.1-109.3 124.8 2.4 31.8 53.2 20 37 A S S S- 0 0 38 2,-2.2 3,-0.1 -2,-0.5 -1,-0.1 -0.033 94.6 -62.7-116.6 21.5 3.2 30.7 56.8 21 38 A G S S+ 0 0 65 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.105 134.0 37.0 109.6 -8.4 -0.4 29.7 57.2 22 39 A Y S S- 0 0 133 -4,-0.1 -2,-2.2 0, 0.0 2,-0.3 -0.939 106.3 -82.0-162.5 155.1 -1.4 33.4 56.7 23 40 A H E +J 19 0C 25 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.595 56.8 151.8 -69.9 129.9 0.0 36.1 54.4 24 41 A F E + 0 0 25 -6,-1.6 151,-0.3 1,-0.4 2,-0.3 0.461 58.0 4.0-138.3 -17.6 3.1 37.7 55.9 25 42 A b E -J 18 0C 4 -7,-0.8 -7,-2.0 151,-0.1 -1,-0.4 -0.885 61.5-129.9-157.2-179.7 5.5 39.0 53.2 26 43 A G E +J 17 0C 0 151,-1.9 12,-0.3 -2,-0.3 2,-0.3 -0.752 19.8 172.9-133.7 176.7 5.7 39.3 49.5 27 44 A G E -J 16 0C 0 -11,-2.0 -11,-4.2 -2,-0.2 2,-0.3 -0.913 26.3-116.8-175.0 164.9 8.2 38.5 46.7 28 45 A S E -JL 15 36C 0 8,-1.2 8,-1.8 -2,-0.3 2,-0.7 -0.873 26.2-119.5-115.7 146.6 8.6 38.5 42.9 29 46 A L E + L 0 35C 0 -15,-2.7 74,-0.9 72,-0.4 6,-0.2 -0.815 33.4 172.1 -88.9 110.9 9.1 35.5 40.6 30 47 A I + 0 0 19 4,-1.8 2,-0.3 -2,-0.7 5,-0.2 0.631 68.6 1.9 -95.7 -19.3 12.4 36.0 38.8 31 48 A N S S- 0 0 52 3,-1.3 3,-0.2 70,-0.1 72,-0.1 -0.761 95.1 -83.1-150.8-179.7 12.8 32.6 37.1 32 49 A D S S+ 0 0 66 -2,-0.3 62,-2.1 1,-0.2 3,-0.1 0.194 126.1 19.6 -82.1 17.3 10.5 29.6 37.1 33 50 A Q S S+ 0 0 44 60,-0.2 57,-2.8 1,-0.1 2,-0.5 0.288 108.8 86.8-161.3 0.0 11.7 28.2 40.5 34 51 A W E - M 0 89C 6 55,-0.2 -4,-1.8 -3,-0.2 -3,-1.3 -0.959 47.6-174.5-125.4 132.6 13.4 31.2 42.1 35 52 A V E -LM 29 88C 0 53,-1.9 53,-2.0 -2,-0.5 2,-0.4 -0.981 12.7-150.2-120.4 125.1 11.8 33.9 44.2 36 53 A V E +LM 28 87C 0 -8,-1.8 -8,-1.2 -2,-0.4 51,-0.2 -0.808 32.6 146.2 -98.7 137.4 13.6 37.0 45.6 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.0 -2,-0.4 2,-0.3 -0.639 52.1 -73.0-146.2-160.8 12.3 38.4 48.9 38 55 A A > - 0 0 0 -12,-0.3 3,-1.1 47,-0.3 47,-0.2 -0.851 28.2-137.1-105.8 145.8 13.8 40.1 51.9 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.0 1,-0.3 33,-0.1 0.534 105.0 73.7 -79.7 -7.8 15.9 38.1 54.4 40 57 A H G 3 S+ 0 0 47 1,-0.2 -1,-0.3 41,-0.1 137,-0.1 0.262 91.5 61.4 -82.3 10.3 13.9 39.9 57.0 41 58 A b G < S+ 0 0 5 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.276 73.6 139.7-117.2 6.5 11.2 37.6 55.9 42 59 A Y < + 0 0 99 -3,-1.0 2,-0.3 2,-0.1 -3,-0.1 -0.216 19.8 169.8 -57.1 134.3 12.8 34.2 56.7 43 60 A K - 0 0 61 1,-0.0 3,-0.1 3,-0.0 -2,-0.1 -0.901 44.4-119.1-139.8 153.4 10.6 31.4 58.2 44 61 A S S S+ 0 0 103 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.644 106.1 24.6 -71.7 -19.1 11.8 27.8 58.6 45 62 A R S S+ 0 0 205 2,-0.0 2,-0.3 21,-0.0 -1,-0.2 -0.965 73.3 175.6-148.0 129.0 9.0 26.8 56.3 46 63 A I - 0 0 4 -2,-0.3 21,-1.3 21,-0.2 2,-0.6 -0.987 20.3-150.0-136.3 142.0 7.3 29.0 53.7 47 64 A Q E -KN 19 66C 50 -28,-2.4 -28,-3.7 -2,-0.3 2,-0.3 -0.986 19.9-146.4-117.4 113.3 4.6 28.2 51.1 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.6 -2,-0.6 2,-0.5 -0.651 10.7-157.3 -81.0 138.7 5.0 30.5 48.0 49 65AA R E -KN 17 64C 43 -32,-2.1 -32,-2.0 -2,-0.3 3,-0.4 -0.951 9.4-173.0-126.7 108.7 1.7 31.4 46.4 50 66 A L E + N 0 63C 1 13,-3.6 13,-2.0 -2,-0.5 -34,-0.1 -0.547 62.3 29.6 -97.0 161.9 1.6 32.5 42.7 51 69 A G S S+ 0 0 4 -36,-0.4 2,-0.2 48,-0.4 -1,-0.2 0.687 78.6 150.0 66.7 29.0 -1.3 33.9 40.7 52 70 A E + 0 0 7 -3,-0.4 -42,-0.3 -37,-0.4 -1,-0.2 -0.490 17.1 150.0 -91.3 155.0 -3.1 35.6 43.6 53 71 A H S S+ 0 0 19 1,-0.7 82,-1.6 4,-0.2 2,-0.5 0.238 81.2 38.1-143.7 -72.9 -5.3 38.7 43.3 54 72 A N B S-P 134 0D 28 3,-0.2 -1,-0.7 80,-0.2 3,-0.4 -0.800 74.7-160.6 -85.0 125.2 -7.8 38.2 46.1 55 73 A I S S+ 0 0 17 78,-3.5 -1,-0.1 -2,-0.5 79,-0.1 0.663 85.0 46.8 -82.2 -17.9 -5.8 36.6 48.9 56 74 A N S S+ 0 0 109 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.187 103.1 59.1-108.7 12.4 -8.9 35.2 50.7 57 75 A V S S- 0 0 80 -3,-0.4 -3,-0.2 76,-0.1 2,-0.2 -0.964 80.7-120.3-145.1 122.9 -11.0 33.6 47.9 58 76 A L + 0 0 133 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.524 37.1 173.1 -62.8 124.6 -9.9 30.7 45.6 59 77 A E - 0 0 67 -2,-0.2 -1,-0.2 -5,-0.1 -7,-0.1 0.739 45.3-104.8-110.9 -30.1 -10.2 32.2 42.1 60 78 A G S S+ 0 0 66 -9,-0.1 -2,-0.1 0, 0.0 -9,-0.0 -0.313 101.5 76.5 137.2 -48.6 -8.8 29.7 39.6 61 79 A N + 0 0 52 -10,-0.2 2,-0.1 2,-0.0 38,-0.1 0.266 69.3 118.2 -79.5 8.6 -5.4 31.1 38.6 62 80 A E - 0 0 30 -13,-0.0 2,-0.3 2,-0.0 -11,-0.2 -0.311 38.2-172.8 -81.9 160.9 -3.4 30.2 41.8 63 81 A Q E -N 50 0C 42 -13,-2.0 -13,-3.6 -2,-0.1 2,-0.5 -0.927 7.2-164.1-154.5 120.0 -0.3 28.0 42.3 64 82 A F E +N 49 0C 75 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.987 15.5 169.1-116.7 120.8 1.0 27.1 45.8 65 83 A V E -N 48 0C 15 -17,-2.6 -17,-3.4 -2,-0.5 -2,-0.1 -0.964 28.2-122.5-135.8 143.7 4.4 25.7 46.1 66 84 A N E -N 47 0C 88 -2,-0.3 25,-1.4 -19,-0.3 2,-0.7 -0.205 33.0-100.3 -76.7 173.7 6.7 25.1 49.1 67 85 A A E -O 90 0C 21 -21,-1.3 23,-0.3 23,-0.2 3,-0.2 -0.868 30.0-172.6-103.9 107.1 10.1 26.5 49.6 68 86 A A E S+ 0 0 53 21,-1.4 2,-0.3 -2,-0.7 22,-0.2 0.998 77.7 0.3 -60.4 -67.7 12.8 23.9 48.8 69 87 A K E -O 89 0C 83 20,-1.6 20,-2.7 154,-0.0 2,-0.4 -0.942 68.2-156.3-123.7 144.9 15.7 25.9 50.0 70 88 A I E -O 88 0C 28 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.976 11.3-164.7-127.0 113.0 15.5 29.5 51.5 71 89 A I E -O 87 0C 31 16,-3.4 16,-3.1 -2,-0.4 2,-0.2 -0.885 9.0-167.3-112.0 111.2 18.6 31.7 51.3 72 90 A K E -O 86 0C 95 -2,-0.6 14,-0.2 14,-0.3 12,-0.1 -0.604 45.0 -96.3 -83.4 148.4 19.2 34.8 53.3 73 91 A H > - 0 0 20 12,-1.6 3,-1.9 -2,-0.2 -1,-0.1 -0.421 31.0-125.3 -67.3 140.7 22.2 36.8 52.0 74 92 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.767 110.0 54.7 -60.1 -29.3 25.2 35.9 54.1 75 93 A N T 3 S+ 0 0 106 2,-0.1 7,-0.1 8,-0.0 9,-0.1 0.443 77.3 138.7 -87.3 0.9 25.7 39.6 54.8 76 94 A F < - 0 0 44 -3,-1.9 2,-0.5 9,-0.2 7,-0.2 -0.070 37.5-161.2 -46.2 135.2 22.2 40.0 56.2 77 95 A D > - 0 0 59 5,-1.4 4,-2.6 1,-0.1 5,-0.4 -0.874 11.7-166.9-123.4 93.3 22.2 42.2 59.3 78 96 A R T 4 S+ 0 0 218 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.723 91.1 58.6 -52.1 -19.7 19.0 41.7 61.3 79 97 A K T 4 S+ 0 0 174 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.964 121.9 14.1 -77.9 -55.6 20.2 44.8 63.1 80 98 A T T 4 S- 0 0 58 -3,-0.3 77,-0.2 2,-0.1 -2,-0.2 0.252 90.6-129.2-103.6 4.0 20.6 47.4 60.3 81 99 A L < + 0 0 29 -4,-2.6 3,-0.3 1,-0.2 -3,-0.1 0.520 55.9 156.7 59.0 7.1 18.6 45.5 57.7 82 100 A N + 0 0 34 -5,-0.4 -5,-1.4 1,-0.2 -1,-0.2 -0.394 63.5 19.2 -57.6 135.3 21.6 46.3 55.6 83 101 A N S S+ 0 0 18 1,-0.2 2,-1.1 76,-0.2 -1,-0.2 0.972 80.0 175.3 62.6 56.2 21.8 43.7 52.8 84 102 A N + 0 0 1 -3,-0.3 2,-0.3 75,-0.3 123,-0.2 -0.747 30.7 113.8 -97.0 80.7 18.1 42.7 53.1 85 103 A I + 0 0 0 -2,-1.1 -12,-1.6 -47,-0.2 2,-0.3 -0.965 35.2 177.9-149.0 140.0 17.7 40.3 50.2 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-2.8 -2,-0.3 2,-0.3 -0.968 17.0-143.3-144.6 148.0 16.9 36.5 50.2 87 105 A L E -MO 36 71C 0 -16,-3.1 -16,-3.4 -2,-0.3 2,-0.4 -0.855 8.7-161.6-112.5 151.2 16.4 33.9 47.5 88 106 A I E -MO 35 70C 0 -53,-2.0 -53,-1.9 -2,-0.3 2,-0.6 -0.985 7.0-153.5-133.5 116.9 13.9 31.0 47.8 89 107 A K E -MO 34 69C 49 -20,-2.7 -20,-1.6 -2,-0.4 -21,-1.4 -0.859 23.1-134.8 -92.3 117.3 14.2 27.9 45.5 90 108 A L E - 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