==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-JUN-00 1F5R . COMPND 2 MOLECULE: TRYPSIN II, ANIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.PASTERNAK,A.WHITE,M.CAHOON,D.RINGE,L.HEDSTROM . 273 3 9 6 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 4 1.5 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 . 21 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.7 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 0 0 1 1 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 . 5 2 1 6 2 1 1 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 1 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 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 14 A D 0 0 159 0, 0.0 122,-0.1 0, 0.0 162,-0.0 0.000 360.0 360.0 360.0-161.7 -25.9 -82.8 -2.2 2 15 A K - 0 0 12 1,-0.2 163,-1.8 162,-0.1 3,-0.1 0.740 360.0-128.6 -34.9 -43.0 -22.7 -84.2 -0.7 3 18 A G S S+ 0 0 24 1,-0.3 -1,-0.2 161,-0.2 2,-0.1 0.533 70.3 110.2 97.7 7.4 -23.1 -82.2 2.6 4 19 A G - 0 0 28 161,-0.2 2,-0.3 128,-0.1 -1,-0.3 -0.226 63.4-113.7-100.7-167.3 -19.7 -80.7 2.5 5 20 A Y E -A 131 0A 106 126,-2.5 126,-3.6 -2,-0.1 2,-0.2 -0.908 35.5 -90.2-129.6 157.5 -18.3 -77.2 1.9 6 21 A T E -A 130 0A 61 -2,-0.3 124,-0.2 124,-0.2 3,-0.1 -0.504 49.1-121.0 -67.7 128.6 -16.3 -75.7 -0.9 7 22 A a - 0 0 4 122,-2.4 2,-0.2 -2,-0.2 122,-0.1 -0.333 31.4 -96.8 -67.3 154.6 -12.6 -76.0 0.0 8 23 A Q > - 0 0 155 1,-0.1 3,-2.4 2,-0.1 4,-0.3 -0.518 61.7 -78.5 -70.5 139.1 -10.6 -72.8 0.3 9 24 A E T 3 S- 0 0 110 1,-0.3 -1,-0.1 -2,-0.2 44,-0.1 -0.129 110.3 -10.9 -43.8 121.7 -8.7 -72.2 -3.0 10 25 A N T 3 S+ 0 0 24 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.725 92.1 129.8 56.2 28.2 -5.6 -74.5 -3.2 11 26 A S S < S+ 0 0 53 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.526 72.9 51.2 -85.5 -5.8 -5.9 -75.5 0.5 12 27 A V > + 0 0 6 -4,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.618 68.7 166.5-128.3 68.1 -5.7 -79.2 -0.6 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.585 71.0 59.5 -61.7 -15.0 -2.5 -79.0 -2.8 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.537 81.9 106.9 -91.7 -8.5 -2.0 -82.8 -3.0 15 30 A Q E < -J 28 0B 6 -3,-1.7 36,-0.6 13,-0.2 37,-0.4 -0.494 49.0-176.0 -72.5 134.7 -5.4 -83.3 -4.6 16 31 A V E -JK 27 50B 0 11,-2.0 11,-1.2 -2,-0.2 2,-0.4 -0.888 20.9-134.6-128.7 162.8 -5.4 -84.2 -8.3 17 32 A S E -JK 26 49B 1 32,-2.0 32,-2.8 -2,-0.3 2,-0.6 -0.963 14.3-143.9-115.8 131.9 -8.1 -84.7 -10.9 18 33 A L E -JK 25 48B 0 7,-3.2 6,-2.2 -2,-0.4 7,-1.1 -0.881 26.5-175.8 -97.1 126.8 -7.9 -87.7 -13.3 19 34 A N E +JK 23 47B 14 28,-3.0 28,-2.8 -2,-0.6 4,-0.2 -0.978 31.1 165.5-131.3 134.7 -9.1 -86.7 -16.7 20 37 A S S S- 0 0 57 2,-1.7 3,-0.1 -2,-0.4 -1,-0.1 -0.079 98.7 -38.3-134.3 32.3 -9.7 -88.7 -19.9 21 38 A G S S+ 0 0 66 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.160 140.1 18.4 133.8 -31.6 -11.8 -86.1 -21.7 22 39 A Y S S- 0 0 72 -4,-0.0 -2,-1.7 0, 0.0 2,-0.3 -0.954 100.4 -76.7-156.3 163.4 -13.6 -85.1 -18.5 23 40 A H E +J 19 0B 7 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.543 53.5 154.4 -70.1 126.0 -13.0 -85.5 -14.8 24 41 A F E + 0 0 1 -6,-2.2 211,-2.2 1,-0.4 2,-0.3 0.537 60.7 6.6-128.0 -15.1 -13.9 -89.1 -13.7 25 42 A b E -J 18 0B 0 -7,-1.1 -7,-3.2 209,-0.2 -1,-0.4 -0.980 61.2-129.1-161.1 164.8 -11.8 -89.7 -10.5 26 43 A G E +J 17 0B 2 145,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.475 23.6 176.7-109.8-176.1 -9.5 -88.0 -8.0 27 44 A G E -J 16 0B 0 -11,-1.2 -11,-2.0 -2,-0.2 2,-0.4 -0.965 24.0-111.0-171.4 178.9 -6.1 -88.9 -6.7 28 45 A S E -JL 15 36B 1 8,-2.3 8,-2.6 -2,-0.3 2,-0.7 -0.992 18.9-130.1-133.2 137.6 -3.3 -87.8 -4.4 29 46 A L E + L 0 35B 0 -15,-2.2 74,-2.0 -2,-0.4 6,-0.2 -0.750 27.8 171.1 -86.0 116.4 0.2 -86.7 -5.2 30 47 A I E - 0 0 20 4,-1.9 2,-0.3 -2,-0.7 5,-0.2 0.579 69.3 -3.6-101.5 -14.4 2.7 -88.7 -3.0 31 48 A N E > S- L 0 34B 42 3,-1.2 3,-1.4 70,-0.1 -1,-0.3 -0.946 89.4 -83.3-165.8 163.2 5.9 -87.5 -4.6 32 49 A D T 3 S+ 0 0 65 -2,-0.3 62,-2.3 1,-0.3 60,-0.1 0.509 127.1 30.6 -56.3 0.9 6.8 -85.3 -7.6 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.6 1,-0.2 2,-0.4 0.446 109.7 66.5-137.4 -3.0 6.4 -88.3 -10.0 34 51 A W E < -LM 31 89B 6 -3,-1.4 -4,-1.9 55,-0.2 -3,-1.2 -0.973 48.2-169.9-132.4 142.7 3.7 -90.5 -8.5 35 52 A V E -LM 29 88B 0 53,-2.8 53,-3.0 -2,-0.4 2,-0.4 -0.949 12.6-149.0-124.5 141.6 -0.0 -90.4 -7.8 36 53 A V E +LM 28 87B 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.917 31.3 145.3-111.7 139.9 -2.1 -92.9 -5.8 37 54 A S E - M 0 86B 0 49,-2.8 49,-2.6 -2,-0.4 2,-0.3 -0.756 50.1 -62.3-150.4-165.2 -5.7 -93.5 -6.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.741 34.2-132.4 -96.2 143.2 -8.3 -96.2 -6.7 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.791 105.4 63.3 -63.0 -29.1 -8.0 -99.3 -8.9 40 57 A H G 3 S+ 0 0 16 1,-0.3 -1,-0.3 41,-0.1 194,-0.1 0.551 91.2 69.5 -74.2 -2.4 -11.6 -99.1 -10.2 41 58 A b G < S+ 0 0 1 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.288 74.5 137.9 -92.6 7.9 -10.5 -95.7 -11.7 42 59 A Y < + 0 0 109 -3,-1.5 2,-0.3 2,-0.0 3,-0.0 -0.272 19.5 159.4 -60.2 138.9 -8.3 -97.6 -14.2 43 60 A K - 0 0 46 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.947 46.1-123.8-154.1 144.8 -8.3 -96.4 -17.8 44 61 A S S S+ 0 0 87 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.829 102.6 39.8 -63.6 -31.8 -5.6 -97.1 -20.4 45 62 A R S S+ 0 0 192 -25,-0.0 2,-0.4 -3,-0.0 -1,-0.2 -0.976 72.4 167.0-123.6 122.1 -5.1 -93.3 -21.0 46 63 A I - 0 0 9 -2,-0.5 21,-2.5 21,-0.2 2,-0.5 -0.996 21.5-158.9-138.3 134.0 -5.2 -90.8 -18.2 47 64 A Q E -KN 19 66B 46 -28,-2.8 -28,-3.0 -2,-0.4 2,-0.5 -0.943 17.3-146.2-109.8 129.5 -4.2 -87.2 -17.9 48 66 A V E -KN 18 65B 0 17,-3.5 17,-2.7 -2,-0.5 2,-0.6 -0.826 9.3-160.7 -97.0 130.7 -3.5 -86.0 -14.3 49 67 A R E -KN 17 64B 50 -32,-2.8 -32,-2.0 -2,-0.5 3,-0.3 -0.945 11.2-175.7-116.3 116.7 -4.4 -82.4 -13.5 50 68 A L E +KN 16 63B 1 13,-2.7 13,-2.0 -2,-0.6 -34,-0.1 -0.708 60.5 32.9-108.4 159.2 -2.7 -80.7 -10.5 51 69 A G S S+ 0 0 5 -36,-0.6 10,-0.2 48,-0.3 -1,-0.2 0.717 83.7 151.1 71.7 21.8 -3.2 -77.3 -8.9 52 70 A E + 0 0 11 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.474 22.3 154.2 -86.5 154.9 -7.0 -77.3 -9.8 53 71 A H S S+ 0 0 20 4,-0.2 76,-1.0 1,-0.2 2,-0.8 0.344 81.8 28.7-137.0 -66.1 -9.8 -75.6 -8.0 54 72 A N B > S-P 128 0C 38 74,-0.2 3,-1.6 3,-0.2 74,-0.2 -0.892 72.0-163.1-102.3 103.0 -12.5 -75.0 -10.6 55 73 A I T 3 S+ 0 0 21 72,-1.8 -1,-0.1 -2,-0.8 73,-0.1 0.585 83.3 61.4 -65.6 -8.1 -12.0 -77.8 -13.1 56 74 A N T 3 S+ 0 0 92 71,-0.3 2,-0.4 1,-0.0 -1,-0.3 0.441 100.0 58.5 -97.8 0.8 -14.1 -76.0 -15.7 57 75 A V S < S- 0 0 79 -3,-1.6 2,-1.1 70,-0.2 -4,-0.2 -0.981 80.5-123.3-133.0 141.6 -11.9 -72.9 -16.0 58 76 A L + 0 0 145 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.742 36.2 173.2 -83.2 102.5 -8.2 -72.4 -16.9 59 77 A E - 0 0 59 -2,-1.1 -1,-0.2 -5,-0.2 -4,-0.0 0.676 43.6-116.3 -86.3 -22.5 -7.1 -70.6 -13.8 60 78 A G S S+ 0 0 62 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.248 97.6 79.8 105.8 -13.9 -3.4 -70.4 -14.4 61 79 A N + 0 0 54 -10,-0.2 -9,-0.1 2,-0.0 38,-0.1 0.545 68.7 110.6-101.2 -9.7 -2.0 -72.5 -11.6 62 80 A E - 0 0 25 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.261 49.9-157.6 -71.4 151.5 -2.7 -75.9 -13.1 63 81 A Q E -N 50 0B 38 -13,-2.0 -13,-2.7 2,-0.1 2,-0.5 -0.998 7.3-156.0-127.1 129.3 -0.2 -78.5 -14.4 64 82 A F E +N 49 0B 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.947 20.5 167.9-110.3 119.6 -1.4 -81.1 -16.9 65 83 A V E -N 48 0B 16 -17,-2.7 -17,-3.5 -2,-0.5 2,-0.1 -0.997 27.6-132.1-136.5 133.6 0.7 -84.3 -17.1 66 84 A N E -N 47 0B 88 -2,-0.4 25,-2.6 -19,-0.3 2,-0.3 -0.478 29.8-107.7 -81.1 152.4 -0.1 -87.6 -18.8 67 85 A A E -O 90 0B 23 -21,-2.5 23,-0.3 23,-0.2 -21,-0.2 -0.645 28.2-174.6 -80.4 133.7 0.3 -90.9 -17.0 68 86 A A E S+ 0 0 58 21,-3.4 2,-0.4 1,-0.4 22,-0.2 0.806 73.8 17.5 -94.8 -38.8 3.3 -93.0 -18.2 69 87 A K E -O 89 0B 84 20,-1.6 20,-2.7 2,-0.0 2,-0.5 -0.999 61.5-164.1-137.3 138.8 2.6 -96.1 -16.1 70 88 A I E -O 88 0B 42 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.985 12.7-177.0-124.8 117.8 -0.6 -97.3 -14.4 71 89 A I E -O 87 0B 43 16,-3.2 16,-3.0 -2,-0.5 2,-0.2 -0.927 6.6-164.5-124.6 111.5 -0.2 -100.0 -11.8 72 90 A K E -O 86 0B 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.536 41.5 -88.7 -87.2 154.7 -3.1 -101.6 -10.0 73 91 A H > - 0 0 23 12,-2.1 3,-2.0 10,-0.3 -1,-0.1 -0.438 37.7-127.8 -61.3 131.6 -2.6 -103.7 -6.8 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.721 106.5 48.9 -55.2 -22.3 -2.1 -107.3 -8.1 75 93 A N T 3 S+ 0 0 109 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.124 76.2 141.0-106.3 19.4 -4.8 -108.5 -5.8 76 94 A F < - 0 0 33 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.405 39.4-151.7 -63.2 134.8 -7.5 -106.0 -6.7 77 95 A D > - 0 0 70 5,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.952 8.0-159.5-114.3 115.7 -11.0 -107.7 -6.8 78 96 A R T 4 S+ 0 0 174 -2,-0.6 179,-0.4 1,-0.2 -1,-0.1 0.677 92.1 43.6 -65.5 -20.2 -13.4 -106.0 -9.2 79 97 A K T 4 S+ 0 0 143 177,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.891 126.0 25.8 -92.8 -47.9 -16.4 -107.6 -7.4 80 98 A T T 4 S- 0 0 65 2,-0.1 -2,-0.2 70,-0.0 71,-0.1 0.641 93.1-135.1 -90.5 -16.9 -15.6 -107.1 -3.7 81 99 A L >< + 0 0 6 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.629 46.3 158.8 69.2 17.5 -13.3 -104.1 -4.2 82 100 A N T 3 + 0 0 37 1,-0.3 -5,-1.8 -5,-0.2 -1,-0.3 -0.504 67.1 16.4 -70.4 138.0 -10.7 -105.5 -1.8 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.876 78.9 174.7 65.0 40.2 -7.3 -103.9 -2.4 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 69,-0.2 -1,-0.2 -0.508 32.7 117.8 -79.6 74.7 -8.9 -101.0 -4.4 85 103 A I - 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