==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ HYDROLASE INHIBITOR 19-JUL-98 3TGK . 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, . 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) . 165 60.4 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 . 81 29.7 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 . 23 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.4 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 2 5 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 15 E K 0 0 98 0, 0.0 165,-2.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-122.2 -23.6 -84.1 -0.2 2 18 E G + 0 0 23 1,-0.3 163,-0.1 163,-0.2 165,-0.1 0.182 360.0 114.1 96.9 -18.7 -22.8 -82.4 3.1 3 19 E G - 0 0 35 163,-0.3 2,-0.3 130,-0.1 -1,-0.3 -0.059 55.7-136.8 -76.8-177.1 -19.4 -81.0 2.2 4 20 E Y E -A 132 0A 107 128,-2.2 128,-3.3 -3,-0.1 2,-0.3 -0.926 34.8 -87.1-135.8 158.2 -18.4 -77.4 1.8 5 21 E T E -A 131 0A 67 -2,-0.3 126,-0.3 126,-0.2 125,-0.1 -0.536 49.3-120.8 -70.0 130.5 -16.3 -75.8 -0.9 6 22 E a - 0 0 4 124,-2.6 2,-0.2 -2,-0.3 3,-0.1 -0.319 31.3 -96.4 -68.1 154.2 -12.7 -76.0 0.0 7 23 E Q > - 0 0 156 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.534 62.5 -81.8 -68.3 138.7 -10.7 -72.9 0.4 8 24 E E T 3 S- 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 44,-0.1 -0.170 109.2 -7.0 -49.3 127.4 -8.9 -72.4 -3.0 9 25 E N T 3 S+ 0 0 23 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.708 93.4 127.2 56.5 26.6 -5.7 -74.5 -3.2 10 26 E S S < S+ 0 0 52 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.573 72.0 50.1 -85.9 -9.0 -6.0 -75.5 0.5 11 27 E V > + 0 0 6 -4,-0.3 3,-1.5 1,-0.1 -1,-0.3 -0.663 69.9 168.6-126.0 73.3 -5.7 -79.2 -0.5 12 28 E P T 3 S+ 0 0 33 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.593 70.1 59.6 -65.2 -14.5 -2.5 -79.1 -2.8 13 29 E Y T 3 S+ 0 0 25 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.507 81.4 108.0 -91.3 -7.0 -2.0 -82.8 -3.0 14 30 E Q E < -J 27 0B 5 -3,-1.5 36,-0.5 13,-0.2 37,-0.4 -0.528 48.6-175.7 -74.7 132.4 -5.5 -83.3 -4.6 15 31 E V E -J 26 0B 1 11,-2.3 11,-1.0 -2,-0.3 2,-0.4 -0.854 20.5-134.5-125.0 163.9 -5.5 -84.2 -8.3 16 32 E S E -JK 25 48B 1 32,-1.9 32,-2.8 -2,-0.3 2,-0.5 -0.970 14.0-144.0-117.4 131.4 -8.1 -84.7 -10.9 17 33 E L E -JK 24 47B 0 7,-3.1 6,-2.1 -2,-0.4 7,-1.1 -0.872 25.7-177.3 -97.3 127.0 -8.0 -87.7 -13.3 18 34 E N E +JK 22 46B 14 28,-2.8 28,-2.4 -2,-0.5 4,-0.2 -0.985 29.7 164.7-132.6 129.8 -9.2 -86.8 -16.7 19 37 E S S S- 0 0 57 2,-1.6 3,-0.1 -2,-0.4 -1,-0.1 0.048 98.9 -36.6-128.2 24.1 -9.7 -88.8 -19.9 20 38 E G S S+ 0 0 65 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 -0.147 139.5 15.0 145.7 -32.5 -11.9 -86.3 -21.7 21 39 E Y S S- 0 0 79 -4,-0.1 -2,-1.6 0, 0.0 2,-0.3 -0.938 100.8 -73.6-154.8 166.5 -13.7 -85.2 -18.5 22 40 E H E +J 18 0B 7 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.552 55.2 153.1 -71.1 126.7 -13.2 -85.5 -14.7 23 41 E F E + 0 0 0 -6,-2.1 213,-2.4 1,-0.4 147,-0.3 0.547 59.9 7.6-129.2 -15.7 -14.0 -89.1 -13.6 24 42 E b E -J 17 0B 0 -7,-1.1 -7,-3.1 211,-0.2 -1,-0.4 -0.980 60.5-128.2-160.7 165.5 -11.9 -89.7 -10.5 25 43 E G E +J 16 0B 2 147,-3.7 12,-0.4 -2,-0.3 2,-0.3 -0.460 23.6 176.1-109.5-174.8 -9.6 -88.1 -7.9 26 44 E G E -J 15 0B 0 -11,-1.0 -11,-2.3 -2,-0.2 2,-0.4 -0.965 24.1-112.1-175.7 174.2 -6.1 -89.0 -6.6 27 45 E S E -JL 14 35B 2 8,-2.5 8,-2.8 -2,-0.3 2,-0.7 -0.983 18.3-130.6-129.9 137.5 -3.3 -87.9 -4.4 28 46 E L E + L 0 34B 0 -15,-2.3 74,-1.8 -2,-0.4 6,-0.2 -0.747 28.8 170.1 -85.3 113.9 0.2 -86.7 -5.2 29 47 E I E - 0 0 19 4,-1.8 2,-0.3 -2,-0.7 5,-0.2 0.599 68.3 -3.4-100.6 -14.0 2.7 -88.6 -2.9 30 48 E N E > S- L 0 33B 43 3,-1.2 3,-1.2 70,-0.1 -1,-0.3 -0.955 90.5 -80.6-163.4 169.9 5.9 -87.5 -4.6 31 49 E D T 3 S+ 0 0 72 -2,-0.3 62,-2.4 1,-0.2 60,-0.1 0.602 126.4 24.8 -60.0 -8.9 6.9 -85.4 -7.6 32 50 E Q T 3 S+ 0 0 46 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.301 111.0 73.4-135.4 11.1 6.3 -88.2 -10.2 33 51 E W E < -LM 30 88B 9 -3,-1.2 -4,-1.8 55,-0.2 -3,-1.2 -0.987 49.0-171.3-135.7 138.4 3.7 -90.5 -8.5 34 52 E V E -LM 28 87B 0 53,-2.8 53,-2.7 -2,-0.4 2,-0.4 -0.928 13.5-146.3-123.2 144.5 -0.0 -90.3 -7.8 35 53 E V E +LM 27 86B 1 -8,-2.8 -8,-2.5 -2,-0.3 2,-0.2 -0.931 32.9 144.8-112.6 136.7 -2.1 -92.8 -5.7 36 54 E S E - M 0 85B 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.3 -0.775 50.1 -64.9-149.5-167.8 -5.8 -93.5 -6.6 37 55 E A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.2 -0.718 33.8-131.9 -94.8 144.6 -8.4 -96.3 -6.6 38 56 E A G > S+ 0 0 1 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.795 106.0 62.7 -63.3 -30.2 -7.9 -99.4 -8.8 39 57 E H G 3 S+ 0 0 15 1,-0.3 -1,-0.3 41,-0.1 196,-0.1 0.554 91.3 69.0 -74.6 -2.1 -11.5 -99.1 -10.1 40 58 E b G < S+ 0 0 0 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.328 74.0 136.4 -93.2 6.3 -10.5 -95.7 -11.6 41 59 E Y < + 0 0 108 -3,-1.6 2,-0.3 215,-0.1 3,-0.1 -0.273 21.6 162.3 -59.2 136.7 -8.3 -97.5 -14.1 42 60 E K - 0 0 46 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.959 45.4-122.1-149.2 148.9 -8.4 -96.3 -17.7 43 61 E S S S+ 0 0 82 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.853 102.6 37.1 -65.8 -33.7 -5.8 -97.0 -20.4 44 62 E R S S+ 0 0 180 -3,-0.1 2,-0.4 -25,-0.0 -1,-0.2 -0.978 72.9 171.1-124.0 123.5 -5.2 -93.3 -21.0 45 63 E I - 0 0 8 -2,-0.5 21,-2.6 21,-0.3 2,-0.5 -0.995 19.8-160.2-136.5 134.2 -5.2 -90.8 -18.1 46 64 E Q E -KN 18 65B 48 -28,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.953 18.0-145.9-110.3 128.8 -4.3 -87.2 -17.9 47 66 E V E -KN 17 64B 0 17,-3.6 17,-2.8 -2,-0.5 2,-0.6 -0.816 8.9-159.2 -96.5 128.6 -3.5 -85.9 -14.4 48 67 E R E -KN 16 63B 55 -32,-2.8 -32,-1.9 -2,-0.5 3,-0.3 -0.935 12.6-175.8-114.5 118.3 -4.5 -82.4 -13.5 49 68 E L E + N 0 62B 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.704 59.1 32.1-109.9 159.8 -2.8 -80.7 -10.6 50 69 E G S S+ 0 0 2 -36,-0.5 10,-0.2 48,-0.3 2,-0.2 0.708 84.5 152.8 70.0 22.2 -3.2 -77.3 -8.9 51 70 E E + 0 0 12 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.504 24.1 151.4 -87.6 149.6 -6.9 -77.3 -9.7 52 71 E H S S+ 0 0 19 1,-0.3 78,-1.0 4,-0.2 2,-0.8 0.391 82.4 30.7-133.4 -63.6 -9.8 -75.6 -7.9 53 72 E N B > S-P 129 0C 22 76,-0.2 3,-1.3 3,-0.2 -1,-0.3 -0.886 70.1-166.4-101.0 105.6 -12.5 -74.9 -10.5 54 73 E I T 3 S+ 0 0 20 74,-2.2 -1,-0.1 -2,-0.8 75,-0.1 0.562 82.5 60.7 -72.8 -3.2 -12.0 -77.7 -13.0 55 74 E N T 3 S+ 0 0 64 73,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.411 101.9 56.0-100.9 0.3 -14.2 -76.0 -15.6 56 75 E V S < S- 0 0 71 -3,-1.3 2,-0.9 72,-0.2 -4,-0.2 -0.995 81.5-122.3-136.3 138.8 -12.0 -72.8 -15.9 57 76 E L + 0 0 139 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.709 36.5 173.9 -79.3 108.0 -8.3 -72.3 -16.8 58 77 E E - 0 0 61 -2,-0.9 -1,-0.2 -5,-0.2 -4,-0.0 0.647 44.2-111.6 -92.6 -20.5 -7.1 -70.5 -13.6 59 78 E G S S+ 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.179 100.3 77.1 110.1 -19.0 -3.4 -70.3 -14.2 60 79 E N + 0 0 48 -10,-0.2 -9,-0.1 2,-0.0 38,-0.1 0.493 69.0 114.3-102.3 -4.0 -2.0 -72.6 -11.4 61 80 E E - 0 0 29 -11,-0.0 2,-0.4 -13,-0.0 -11,-0.2 -0.287 46.4-161.6 -72.1 149.4 -2.8 -75.9 -13.1 62 81 E Q E -N 49 0B 35 -13,-1.9 -13,-3.0 2,-0.1 2,-0.6 -0.999 7.2-157.1-128.9 128.9 -0.3 -78.5 -14.4 63 82 E F E +N 48 0B 93 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 20.3 170.2-110.5 117.0 -1.5 -81.1 -16.9 64 83 E V E -N 47 0B 15 -17,-2.8 -17,-3.6 -2,-0.6 2,-0.2 -0.992 27.9-128.3-133.1 137.0 0.6 -84.2 -17.0 65 84 E N E -N 46 0B 91 -2,-0.4 25,-2.7 -19,-0.2 2,-0.4 -0.526 28.0-112.6 -82.7 146.7 0.0 -87.6 -18.8 66 85 E A E -O 89 0B 21 -21,-2.6 -21,-0.3 23,-0.2 23,-0.2 -0.659 28.9-176.2 -78.4 128.6 0.2 -90.9 -16.9 67 86 E A E S+ 0 0 61 21,-3.2 2,-0.4 -2,-0.4 22,-0.2 0.833 71.4 17.8 -92.5 -40.6 3.2 -92.9 -18.1 68 87 E K E -O 88 0B 81 20,-1.5 20,-2.8 2,-0.0 2,-0.5 -0.999 61.5-164.9-134.8 136.3 2.6 -96.1 -16.0 69 88 E I E -O 87 0B 43 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.984 11.2-176.5-123.2 118.7 -0.6 -97.2 -14.3 70 89 E I E -O 86 0B 42 16,-3.3 16,-3.0 -2,-0.5 2,-0.2 -0.933 6.4-163.5-122.2 109.8 -0.1 -100.0 -11.8 71 90 E K E -O 85 0B 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.538 41.1 -88.2 -85.4 155.1 -3.1 -101.6 -10.0 72 91 E H > - 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