==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-02 1J15 . COMPND 2 MOLECULE: TRYPSIN II, ANIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 17 7.6 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 . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 0 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.1 0.3 49.8 50.8 2 17 A V B +A 171 0A 9 169,-3.2 169,-1.8 1,-0.2 123,-0.1 -0.840 360.0 4.2-100.1 132.7 -1.1 53.1 52.2 3 18 A G S S+ 0 0 42 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.717 101.3 120.1 69.7 22.5 -2.8 55.5 49.8 4 19 A G - 0 0 28 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.094 58.4-111.3 -98.8-157.4 -2.6 53.2 46.8 5 20 A Y E -B 137 0B 106 132,-2.6 132,-3.5 -3,-0.1 2,-0.4 -0.926 34.3 -91.5-137.0 157.3 -5.2 51.7 44.5 6 21 A T E -B 136 0B 62 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.591 48.1-122.5 -71.8 125.1 -6.5 48.1 43.9 7 22 A a - 0 0 3 128,-2.3 3,-0.1 -2,-0.4 128,-0.1 -0.336 30.2 -97.9 -66.1 151.2 -4.4 46.6 41.1 8 23 A Q > - 0 0 152 1,-0.2 3,-2.2 2,-0.1 4,-0.3 -0.442 63.8 -75.4 -66.0 144.5 -6.3 45.3 38.1 9 24 A E T 3 S- 0 0 104 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.178 111.3 -11.1 -49.4 121.3 -6.8 41.5 38.5 10 25 A N T 3 S+ 0 0 17 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.727 92.5 130.8 58.3 28.6 -3.5 39.7 37.8 11 26 A S S < S+ 0 0 64 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.531 70.9 51.8 -84.8 -8.8 -1.9 42.8 36.4 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.638 71.9 169.6-124.8 69.2 1.2 42.2 38.5 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.620 70.2 58.6 -60.0 -18.6 1.8 38.6 37.5 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.511 81.2 109.2 -89.2 -8.0 5.3 38.3 39.2 15 30 A Q E < -J 28 0C 4 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.553 47.2-176.8 -74.3 129.8 3.9 39.2 42.6 16 31 A V E -J 27 0C 1 11,-2.3 11,-1.1 -2,-0.3 2,-0.4 -0.865 20.7-135.8-125.1 158.5 3.8 36.4 45.2 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.950 13.9-142.0-112.6 131.1 2.5 36.0 48.7 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.4 -2,-0.4 7,-1.1 -0.872 27.5-169.4 -94.0 124.1 4.6 34.2 51.3 19 34 A N E +JK 23 47C 19 28,-2.9 28,-2.6 -2,-0.6 4,-0.2 -0.941 31.5 166.9-123.2 134.2 2.2 32.3 53.5 20 37 A S S S- 0 0 37 2,-2.3 3,-0.1 -2,-0.4 26,-0.0 -0.369 96.4 -47.1-135.1 52.1 2.8 30.4 56.8 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.164 140.5 29.3 100.4 -16.3 -0.8 29.9 57.7 22 39 A Y S S- 0 0 137 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.949 102.1 -83.1-162.8 160.6 -1.4 33.5 56.9 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.612 51.8 156.7 -73.2 128.7 0.1 36.1 54.5 24 41 A F E + 0 0 32 -6,-2.4 2,-0.3 1,-0.4 151,-0.3 0.526 59.5 3.6-128.9 -14.4 3.2 37.6 56.1 25 42 A b E -J 18 0C 6 -7,-1.1 -7,-3.3 151,-0.1 -1,-0.4 -0.980 60.9-126.9-163.3 165.5 5.4 39.0 53.3 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.497 24.2 177.5-109.3-176.3 5.5 39.4 49.5 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.962 24.8-111.1-172.7 174.2 8.1 38.4 46.9 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.5 -2,-0.3 2,-0.6 -0.987 19.2-131.4-127.5 134.4 8.8 38.4 43.2 29 46 A L E + L 0 35C 0 -15,-2.2 74,-1.9 -2,-0.4 6,-0.2 -0.716 28.3 172.0 -81.9 116.9 9.0 35.5 40.8 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.610 67.3 -4.2-102.1 -17.7 12.3 35.9 38.8 31 48 A N E > S- L 0 34C 47 3,-1.3 3,-0.9 70,-0.1 -1,-0.3 -0.937 91.9 -78.5-160.3 172.6 12.2 32.5 37.0 32 49 A D T 3 S+ 0 0 74 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.588 127.9 24.2 -59.8 -8.4 10.0 29.4 37.0 33 50 A Q T 3 S+ 0 0 50 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.370 109.9 74.9-137.5 7.3 11.5 28.1 40.2 34 51 A W E < -LM 31 89C 11 -3,-0.9 -4,-2.2 55,-0.2 -3,-1.3 -0.977 47.1-172.8-132.4 139.5 13.0 31.0 42.1 35 52 A V E -LM 29 88C 0 53,-2.3 53,-3.0 -2,-0.4 2,-0.4 -0.944 13.2-148.5-125.2 140.9 11.5 33.9 44.1 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.4 -2,-0.4 51,-0.2 -0.930 31.9 146.3-112.2 133.3 13.3 36.9 45.6 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.3 -2,-0.4 2,-0.4 -0.701 50.3 -65.2-143.2-163.0 12.1 38.4 48.8 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.2 -0.811 32.6-132.7-100.0 141.5 13.6 40.2 51.9 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.811 105.6 65.6 -60.5 -29.6 15.8 38.4 54.4 40 57 A H G 3 S+ 0 0 54 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.609 91.4 65.2 -71.4 -5.8 13.8 39.7 57.3 41 58 A b G < S+ 0 0 5 -3,-2.0 -1,-0.3 -15,-0.1 -2,-0.2 0.309 76.0 138.3 -94.4 5.9 10.9 37.6 56.0 42 59 A Y < + 0 0 103 -3,-1.8 2,-0.3 2,-0.0 -3,-0.0 -0.255 20.2 162.5 -58.0 138.0 12.8 34.4 56.7 43 60 A K - 0 0 59 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.952 46.7-117.5-149.6 150.6 10.9 31.5 58.3 44 61 A S S S+ 0 0 97 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.749 103.0 28.0 -65.3 -25.6 11.9 27.8 58.4 45 62 A R S S+ 0 0 212 2,-0.0 2,-0.4 21,-0.0 -1,-0.2 -0.990 71.8 172.2-139.6 129.0 8.9 26.7 56.3 46 63 A I - 0 0 7 -2,-0.4 21,-2.7 21,-0.3 2,-0.5 -0.996 22.4-151.6-140.2 139.2 7.1 28.8 53.7 47 64 A Q E -KN 19 66C 52 -28,-2.6 -28,-2.9 -2,-0.4 2,-0.5 -0.962 20.3-146.4-109.1 125.2 4.3 28.2 51.1 48 66 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.838 9.1-156.9 -94.0 126.5 4.6 30.5 48.1 49 67 A R E -KN 17 64C 55 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.929 13.4-177.5-110.6 119.3 1.3 31.5 46.6 50 68 A L E + N 0 63C 2 13,-3.1 13,-1.8 -2,-0.6 -34,-0.1 -0.706 59.2 35.7-110.4 161.9 1.3 32.7 43.0 51 69 A G S S+ 0 0 3 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.698 83.1 153.7 69.9 22.3 -1.5 33.9 40.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.502 23.7 149.0 -88.5 147.4 -3.2 35.7 43.6 53 71 A H S S+ 0 0 14 1,-0.3 82,-1.1 4,-0.3 2,-0.7 0.370 83.2 32.0-130.6 -66.7 -5.5 38.8 43.6 54 72 A N B > S-P 134 0D 26 3,-0.2 3,-1.1 80,-0.2 -1,-0.3 -0.864 72.2-162.2 -95.5 111.5 -7.8 38.2 46.6 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.1 -2,-0.7 79,-0.1 0.629 86.7 48.9 -71.2 -12.6 -5.7 36.3 49.1 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.356 105.2 61.4-107.9 5.2 -8.8 35.1 51.0 57 75 A V S < S- 0 0 79 -3,-1.1 2,-0.5 76,-0.2 -4,-0.3 -0.999 79.3-125.9-135.3 131.6 -10.9 33.8 48.1 58 76 A L + 0 0 138 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.682 32.1 172.3 -76.7 122.2 -10.1 31.0 45.7 59 77 A E - 0 0 59 -2,-0.5 -1,-0.1 -5,-0.1 -7,-0.0 0.543 49.6-104.7-109.9 -14.0 -10.4 32.5 42.2 60 78 A G S S+ 0 0 68 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.373 102.6 78.7 105.7 -3.6 -9.1 29.7 40.0 61 79 A N + 0 0 49 -10,-0.2 2,-0.1 38,-0.0 -9,-0.1 0.395 64.2 119.4-116.6 3.1 -5.7 31.1 39.0 62 80 A E - 0 0 36 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.370 38.9-170.5 -77.3 147.5 -3.6 30.2 42.1 63 81 A Q E -N 50 0C 37 -13,-1.8 -13,-3.1 -2,-0.1 2,-0.6 -0.996 7.8-163.5-133.7 118.7 -0.6 28.0 42.3 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.962 15.4 173.0-109.2 119.1 0.6 27.1 45.8 65 83 A V E -N 48 0C 14 -17,-2.8 -17,-3.2 -2,-0.6 2,-0.1 -0.987 28.1-123.9-130.1 136.0 4.1 25.7 46.0 66 84 A N E -N 47 0C 93 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.453 29.1-111.7 -77.1 147.9 6.3 25.0 49.0 67 85 A A E -O 90 0C 21 -21,-2.7 -21,-0.3 23,-0.2 23,-0.2 -0.648 29.1-175.6 -78.1 132.7 9.7 26.5 49.4 68 86 A A E S+ 0 0 61 21,-3.4 2,-0.4 1,-0.4 22,-0.2 0.858 73.3 19.8 -93.6 -51.7 12.5 24.0 49.1 69 87 A K E -O 89 0C 84 20,-1.6 20,-3.0 2,-0.0 2,-0.6 -0.987 63.5-166.3-124.8 129.6 15.5 26.1 49.9 70 88 A I E -O 88 0C 33 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.963 13.7-173.9-118.3 109.5 15.3 29.5 51.7 71 89 A I E -O 87 0C 39 16,-3.2 16,-2.7 -2,-0.6 2,-0.1 -0.904 7.3-163.6-114.2 107.9 18.6 31.4 51.3 72 90 A K E -O 86 0C 67 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.487 41.2 -90.8 -82.0 154.6 19.2 34.7 53.2 73 91 A H > - 0 0 18 12,-2.0 3,-2.2 10,-0.3 -1,-0.1 -0.506 36.5-127.7 -63.7 132.8 22.0 36.9 52.1 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.794 107.0 46.6 -53.0 -31.6 25.1 35.8 54.1 75 93 A N T 3 S+ 0 0 110 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.113 76.0 144.0 -99.9 19.6 25.7 39.4 55.2 76 94 A F < - 0 0 26 -3,-2.2 2,-0.7 9,-0.1 7,-0.2 -0.439 37.0-155.4 -61.8 127.1 22.1 40.3 56.2 77 95 A D B >> -Q 82 0E 68 5,-2.4 4,-2.9 -2,-0.2 5,-0.6 -0.924 7.0-162.4-108.3 108.9 22.3 42.5 59.3 78 96 A R T 45S+ 0 0 148 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.631 86.6 56.3 -66.6 -13.9 19.1 42.3 61.3 79 97 A E T 45S+ 0 0 168 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.912 125.4 16.8 -82.3 -46.8 19.9 45.5 63.2 80 98 A T T 45S- 0 0 68 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.594 95.5-127.8 -99.9 -17.2 20.2 47.8 60.2 81 99 A Y T ><5 + 0 0 69 -4,-2.9 3,-1.0 1,-0.3 2,-0.2 0.697 49.8 161.8 71.5 20.6 18.6 45.6 57.6 82 100 A N B 3 < +Q 77 0E 36 -5,-0.6 -5,-2.4 1,-0.3 -1,-0.3 -0.548 67.7 18.3 -69.7 137.4 21.6 46.1 55.4 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.865 79.9 173.3 65.2 40.5 21.6 43.3 52.7 84 102 A D < + 0 0 0 -3,-1.0 2,-0.3 75,-0.2 -1,-0.2 -0.536 32.5 116.2 -79.8 77.0 17.9 42.6 53.3 85 103 A I + 0 0 0 -2,-2.0 -12,-2.0 -47,-0.2 2,-0.3 -0.993 36.9 179.2-146.9 145.0 17.5 40.2 50.4 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.9 -2,-0.3 2,-0.4 -0.989 16.1-144.9-147.9 146.6 16.6 36.4 50.3 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.2 -2,-0.3 2,-0.4 -0.936 10.3-161.0-115.6 141.2 16.2 33.8 47.6 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.3 -2,-0.4 2,-0.6 -0.987 5.7-154.2-124.6 122.7 13.6 31.0 47.7 89 107 A K E -MO 34 69C 44 -20,-3.0 -21,-3.4 -2,-0.4 -20,-1.6 -0.887 23.3-131.6 -96.6 124.6 13.9 27.9 45.5 90 108 A L E - 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