==== 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 28-JUN-00 1F7Z . COMPND 2 MOLECULE: TRYPSIN II, ANIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.PASTERNAK,A.WHITE,C.J.JEFFERY,N.MEDINA,M.CAHOON,D.RINGE, . 269 3 9 6 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 62.1 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 . 84 31.2 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 . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.8 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 . 6 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 16 A I 0 0 22 0, 0.0 2,-0.4 0, 0.0 162,-0.3 0.000 360.0 360.0 360.0 122.6 -19.5 -85.0 -1.4 2 17 A V B +A 162 0A 61 160,-2.5 160,-1.2 1,-0.2 3,-0.1 -0.894 360.0 8.3-111.6 141.1 -22.9 -84.3 0.3 3 18 A G S S+ 0 0 41 -2,-0.4 -1,-0.2 158,-0.2 158,-0.1 0.723 103.4 121.2 64.7 20.3 -23.3 -81.9 3.2 4 19 A G - 0 0 28 -3,-0.2 2,-0.3 158,-0.1 125,-0.2 -0.039 57.1-120.2 -95.6-157.4 -19.7 -80.7 2.7 5 20 A Y E -B 128 0B 102 123,-2.3 123,-3.6 -3,-0.1 2,-0.3 -0.981 30.2 -91.3-146.9 154.4 -18.3 -77.3 1.9 6 21 A T E -B 127 0B 69 -2,-0.3 121,-0.3 121,-0.2 120,-0.1 -0.526 49.5-120.1 -69.1 127.1 -16.2 -75.8 -0.9 7 22 A a - 0 0 3 119,-2.5 2,-0.2 -2,-0.3 3,-0.1 -0.301 31.5 -95.9 -65.4 152.5 -12.6 -76.1 0.0 8 23 A Q > - 0 0 155 1,-0.1 3,-2.4 2,-0.1 4,-0.3 -0.513 62.3 -83.1 -66.8 134.4 -10.5 -72.9 0.4 9 24 A E T 3 S- 0 0 103 1,-0.3 -1,-0.1 -2,-0.2 44,-0.1 -0.139 109.8 -5.7 -45.6 123.6 -8.8 -72.5 -3.0 10 25 A N T 3 S+ 0 0 38 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.695 91.9 127.7 61.9 24.4 -5.6 -74.6 -3.2 11 26 A S S < S+ 0 0 54 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.552 72.7 50.8 -85.1 -6.5 -5.9 -75.7 0.5 12 27 A V > + 0 0 8 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.630 69.0 168.5-128.3 68.7 -5.6 -79.4 -0.6 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.579 71.3 60.3 -59.5 -15.5 -2.5 -79.1 -2.8 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.519 80.7 107.5 -92.4 -6.9 -2.1 -82.9 -3.0 15 30 A Q E < -K 28 0C 6 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.512 47.5-177.6 -74.3 134.7 -5.5 -83.4 -4.7 16 31 A V E -KL 27 50C 0 11,-2.1 11,-1.1 -2,-0.2 2,-0.4 -0.895 20.9-134.3-129.4 161.8 -5.5 -84.3 -8.4 17 32 A S E -KL 26 49C 0 32,-2.0 32,-2.6 -2,-0.3 2,-0.6 -0.958 13.7-142.9-115.9 132.9 -8.1 -84.9 -11.0 18 33 A L E -KL 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.1 -0.868 26.5-178.9 -96.5 126.6 -8.0 -87.9 -13.3 19 34 A N E +KL 23 47C 11 28,-2.8 28,-2.4 -2,-0.6 4,-0.2 -0.990 29.6 164.8-134.0 130.4 -9.2 -86.9 -16.8 20 37 A S S S- 0 0 52 2,-1.5 3,-0.1 -2,-0.4 -1,-0.1 -0.074 99.7 -36.0-129.0 29.6 -9.6 -88.9 -20.0 21 38 A G S S+ 0 0 65 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 -0.171 139.8 16.6 140.8 -35.8 -11.9 -86.4 -21.7 22 39 A Y S S- 0 0 70 -4,-0.1 -2,-1.5 0, 0.0 2,-0.3 -0.945 100.6 -74.9-153.4 164.1 -13.7 -85.3 -18.6 23 40 A H E +K 19 0C 12 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.509 55.1 154.4 -67.0 126.7 -13.1 -85.6 -14.8 24 41 A F E + 0 0 1 -6,-2.3 208,-2.3 1,-0.4 2,-0.3 0.553 59.2 6.8-129.8 -15.0 -13.9 -89.2 -13.7 25 42 A b E -K 18 0C 0 -7,-1.1 -7,-3.1 206,-0.2 -1,-0.4 -0.976 60.9-126.8-160.6 166.0 -11.8 -89.8 -10.5 26 43 A G E +K 17 0C 2 142,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.487 24.2 176.5-109.2-177.9 -9.6 -88.2 -8.0 27 44 A G E -K 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.965 23.7-115.0-172.1 174.3 -6.1 -89.1 -6.7 28 45 A S E -KM 15 36C 1 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.989 19.0-129.7-131.0 138.4 -3.3 -87.9 -4.4 29 46 A L E + M 0 35C 0 -15,-2.2 74,-1.9 -2,-0.4 6,-0.2 -0.748 28.1 171.1 -85.6 119.6 0.2 -86.8 -5.2 30 47 A I E - 0 0 19 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.567 68.5 -3.8-105.2 -13.4 2.7 -88.7 -3.0 31 48 A N E > S- M 0 34C 40 3,-1.2 3,-0.9 70,-0.1 -1,-0.3 -0.946 89.8 -81.6-164.3 170.1 5.9 -87.6 -4.7 32 49 A D T 3 S+ 0 0 61 -2,-0.3 62,-2.3 1,-0.2 60,-0.1 0.541 127.2 28.2 -62.7 -3.0 6.9 -85.5 -7.7 33 50 A Q T 3 S+ 0 0 68 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.395 110.4 69.6-134.9 0.3 6.3 -88.4 -10.1 34 51 A W E < -MN 31 89C 9 -3,-0.9 -4,-2.0 55,-0.2 -3,-1.2 -0.970 47.5-173.2-132.0 143.1 3.7 -90.7 -8.5 35 52 A V E -MN 29 88C 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.4 -0.947 14.1-147.0-126.7 144.6 -0.0 -90.5 -7.8 36 53 A V E +MN 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.3 2,-0.2 -0.930 31.3 146.2-114.1 139.9 -2.1 -92.9 -5.8 37 54 A S E - N 0 86C 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.3 -0.734 49.8 -62.3-148.5-164.1 -5.8 -93.6 -6.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.749 34.9-132.6 -95.7 142.8 -8.4 -96.4 -6.7 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.811 105.9 62.7 -63.6 -30.3 -7.9 -99.5 -8.9 40 57 A H G 3 S+ 0 0 16 1,-0.3 -1,-0.3 41,-0.1 191,-0.1 0.541 91.0 69.7 -74.4 0.0 -11.5 -99.2 -10.2 41 58 A b G < S+ 0 0 1 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.290 73.8 136.7 -93.8 7.6 -10.5 -95.9 -11.7 42 59 A Y < + 0 0 108 -3,-1.7 2,-0.3 2,-0.0 -3,-0.0 -0.288 20.9 161.5 -59.8 139.2 -8.2 -97.7 -14.2 43 60 A K - 0 0 50 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.952 45.8-122.6-152.6 146.3 -8.3 -96.5 -17.8 44 61 A S S S+ 0 0 82 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.807 103.1 36.9 -65.4 -28.9 -5.7 -97.2 -20.5 45 62 A R S S+ 0 0 191 -25,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.988 72.9 168.8-128.1 123.6 -5.1 -93.5 -21.1 46 63 A I - 0 0 7 -2,-0.4 21,-2.5 21,-0.2 2,-0.5 -0.998 20.4-158.6-138.5 135.8 -5.2 -91.0 -18.2 47 64 A Q E -LO 19 66C 47 -28,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.949 17.3-145.6-111.2 130.1 -4.2 -87.3 -17.9 48 66 A V E -LO 18 65C 0 17,-3.5 17,-2.6 -2,-0.5 2,-0.6 -0.824 8.9-160.1 -97.6 131.6 -3.5 -86.1 -14.4 49 67 A R E -LO 17 64C 53 -32,-2.6 -32,-2.0 -2,-0.5 3,-0.3 -0.948 12.4-175.2-116.3 117.0 -4.5 -82.5 -13.6 50 68 A L E +LO 16 63C 2 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.687 59.2 32.6-108.4 161.1 -2.8 -80.8 -10.6 51 69 A G S S+ 0 0 4 -36,-0.5 10,-0.2 48,-0.3 2,-0.2 0.746 83.2 153.6 68.5 25.3 -3.2 -77.5 -8.9 52 70 A E + 0 0 13 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.536 23.8 151.6 -89.3 149.8 -7.0 -77.4 -9.7 53 71 A H S S+ 0 0 20 1,-0.3 73,-0.9 4,-0.2 2,-0.8 0.368 81.2 34.5-132.7 -64.1 -9.8 -75.7 -7.9 54 72 A N B > S-Q 125 0D 35 3,-0.2 3,-1.2 71,-0.2 -1,-0.3 -0.875 70.1-163.1 -98.5 111.6 -12.4 -75.0 -10.6 55 73 A I T 3 S+ 0 0 17 69,-2.3 -1,-0.1 -2,-0.8 70,-0.1 0.667 85.8 53.7 -67.9 -18.3 -12.2 -78.0 -13.0 56 74 A N T 3 S+ 0 0 116 68,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.375 102.7 60.6-100.3 4.2 -14.0 -76.1 -15.7 57 75 A V S < S- 0 0 76 -3,-1.2 2,-0.9 67,-0.2 -4,-0.2 -0.996 78.9-123.6-136.6 137.3 -11.9 -72.9 -15.9 58 76 A L + 0 0 135 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.690 34.9 173.2 -77.8 108.8 -8.2 -72.4 -16.8 59 77 A E - 0 0 57 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.733 44.2-114.7 -91.6 -27.1 -7.0 -70.6 -13.6 60 78 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.223 98.9 79.9 111.9 -14.8 -3.3 -70.5 -14.3 61 79 A N + 0 0 35 -10,-0.2 -9,-0.1 2,-0.0 38,-0.1 0.468 68.8 114.5-102.1 -3.5 -1.9 -72.7 -11.5 62 80 A E - 0 0 22 -13,-0.0 2,-0.4 1,-0.0 -11,-0.2 -0.279 46.5-162.2 -73.5 152.4 -2.7 -76.0 -13.2 63 81 A Q E -O 50 0C 36 -13,-1.8 -13,-2.9 2,-0.1 2,-0.5 -0.999 6.5-157.7-132.1 127.0 -0.3 -78.6 -14.5 64 82 A F E +O 49 0C 95 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.943 19.2 169.9-109.3 123.4 -1.4 -81.2 -17.0 65 83 A V E -O 48 0C 15 -17,-2.6 -17,-3.5 -2,-0.5 2,-0.2 -0.997 27.1-129.7-138.3 133.3 0.7 -84.4 -17.1 66 84 A N E -O 47 0C 90 -2,-0.4 25,-2.6 -19,-0.2 2,-0.4 -0.483 28.6-109.8 -80.4 150.0 0.0 -87.7 -18.9 67 85 A A E -P 90 0C 22 -21,-2.5 23,-0.2 23,-0.2 -21,-0.2 -0.646 29.0-175.9 -78.8 131.7 0.2 -91.0 -17.1 68 86 A A E S+ 0 0 59 21,-3.3 2,-0.4 -2,-0.4 22,-0.2 0.797 72.3 15.9 -95.5 -37.8 3.3 -93.1 -18.2 69 87 A K E -P 89 0C 83 20,-1.6 20,-2.7 2,-0.0 2,-0.5 -1.000 61.4-162.9-140.4 137.8 2.6 -96.2 -16.2 70 88 A I E -P 88 0C 42 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.980 12.2-176.6-124.3 118.1 -0.6 -97.4 -14.5 71 89 A I E -P 87 0C 41 16,-3.3 16,-3.2 -2,-0.5 2,-0.2 -0.932 6.5-164.4-123.1 111.8 -0.2 -100.1 -11.9 72 90 A K E -P 86 0C 54 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.587 41.3 -89.5 -87.6 152.7 -3.1 -101.7 -10.1 73 91 A H > - 0 0 22 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.390 36.8-127.9 -59.1 135.3 -2.6 -103.8 -6.9 74 92 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.705 106.5 50.1 -60.5 -19.7 -2.0 -107.4 -8.1 75 93 A N T 3 S+ 0 0 106 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.193 76.6 140.4-105.6 16.7 -4.7 -108.7 -5.7 76 94 A F < - 0 0 32 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.376 38.6-154.0 -62.3 133.7 -7.5 -106.2 -6.7 77 95 A D > - 0 0 69 5,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.956 8.0-158.4-115.3 115.2 -10.9 -107.8 -6.8 78 96 A R T 4 S+ 0 0 168 -2,-0.6 176,-0.4 1,-0.2 -1,-0.1 0.612 92.0 42.9 -65.5 -15.6 -13.4 -106.1 -9.2 79 97 A K T 4 S+ 0 0 147 174,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.850 124.7 27.8 -99.2 -46.2 -16.3 -107.7 -7.3 80 98 A T T 4 S- 0 0 65 2,-0.1 -2,-0.2 67,-0.0 68,-0.1 0.651 94.2-134.9 -90.4 -17.8 -15.5 -107.3 -3.6 81 99 A L >< + 0 0 5 -4,-2.1 3,-0.9 1,-0.3 2,-0.2 0.660 46.7 159.0 70.1 18.9 -13.4 -104.2 -4.2 82 100 A N T 3 + 0 0 37 1,-0.3 -5,-1.9 -5,-0.2 -1,-0.3 -0.531 65.8 15.9 -72.3 138.3 -10.7 -105.7 -1.9 83 101 A N T 3 S+ 0 0 16 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.877 78.4 175.1 65.0 40.6 -7.3 -104.1 -2.5 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 66,-0.2 -1,-0.2 -0.517 33.0 116.7 -79.8 76.2 -8.8 -101.1 -4.4 85 103 A I - 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