==== 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-SEP-00 1FY8 . COMPND 2 MOLECULE: TRYPSIN II, ANIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR A.PASTERNAK,A.WHITE,C.J.JEFFERY,D.RINGE,L.HEDSTROM . 271 3 9 6 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 62.4 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 . 82 30.3 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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 8.1 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 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 . 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 E D 0 0 183 0, 0.0 122,-0.1 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 165.2 -26.1 -82.6 -2.1 2 15 E K - 0 0 11 120,-0.1 162,-2.2 1,-0.1 189,-0.1 0.431 360.0-113.8 -75.0 -0.3 -23.4 -84.7 -0.4 3 18 E G S S+ 0 0 30 160,-0.2 -1,-0.1 1,-0.2 162,-0.1 0.492 72.4 123.3 84.9 3.3 -23.1 -82.3 2.6 4 19 E G - 0 0 22 160,-0.2 2,-0.3 127,-0.1 127,-0.2 -0.115 53.6-126.2 -84.8-171.1 -19.5 -81.0 2.2 5 20 E Y E -A 130 0A 108 125,-2.5 125,-3.7 -2,-0.0 2,-0.3 -0.939 34.7 -88.9-132.9 155.3 -18.4 -77.4 1.8 6 21 E T E -A 129 0A 65 -2,-0.3 123,-0.3 123,-0.2 122,-0.1 -0.496 48.0-121.7 -67.5 126.8 -16.3 -75.8 -0.9 7 22 E a - 0 0 3 121,-2.4 2,-0.2 -2,-0.3 3,-0.1 -0.309 31.8 -96.4 -65.3 152.4 -12.7 -76.1 0.1 8 23 E Q > - 0 0 155 1,-0.1 3,-2.3 2,-0.1 4,-0.3 -0.535 63.2 -81.6 -67.4 136.0 -10.7 -72.9 0.4 9 24 E E T 3 S- 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 44,-0.1 -0.146 109.9 -6.6 -46.1 127.1 -9.0 -72.5 -3.0 10 25 E N T 3 S+ 0 0 27 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.679 92.1 127.8 56.8 25.1 -5.8 -74.6 -3.2 11 26 E S S < S+ 0 0 54 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 0.545 73.1 50.8 -84.1 -7.3 -6.1 -75.6 0.5 12 27 E V S > S+ 0 0 7 -4,-0.3 3,-1.6 1,-0.1 -1,-0.3 -0.668 70.1 168.6-127.2 71.8 -5.8 -79.3 -0.5 13 28 E P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.606 70.4 60.1 -63.2 -16.2 -2.6 -79.1 -2.7 14 29 E Y T 3 S+ 0 0 24 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.507 80.9 108.1 -90.4 -6.9 -2.1 -82.8 -3.0 15 30 E Q E < -J 28 0B 7 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.516 48.2-175.4 -74.1 134.1 -5.5 -83.3 -4.6 16 31 E V E -JK 27 50B 1 11,-2.2 11,-1.1 -2,-0.2 2,-0.4 -0.877 20.6-134.9-126.7 162.2 -5.6 -84.3 -8.3 17 32 E S E -JK 26 49B 0 32,-1.9 32,-2.6 -2,-0.3 2,-0.6 -0.965 14.2-143.9-115.4 130.9 -8.2 -84.8 -10.9 18 33 E L E -JK 25 48B 0 7,-3.3 6,-2.2 -2,-0.4 7,-1.1 -0.873 26.5-175.9 -95.7 126.2 -8.0 -87.8 -13.2 19 34 E N E +JK 23 47B 15 28,-2.8 28,-2.6 -2,-0.6 4,-0.2 -0.980 30.5 164.9-131.1 131.6 -9.3 -86.8 -16.7 20 37 E S S S- 0 0 57 2,-1.6 3,-0.1 -2,-0.4 -1,-0.1 0.028 98.7 -39.2-129.5 25.0 -9.9 -88.8 -19.9 21 38 E G S S+ 0 0 68 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 -0.107 139.9 20.3 138.5 -26.7 -12.0 -86.2 -21.6 22 39 E Y S S- 0 0 69 -4,-0.0 -2,-1.6 0, 0.0 2,-0.3 -0.958 100.4 -78.1-157.6 163.1 -13.8 -85.3 -18.4 23 40 E H E +J 19 0B 6 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.558 54.3 154.1 -70.4 126.5 -13.2 -85.6 -14.7 24 41 E F E + 0 0 0 -6,-2.2 210,-2.3 1,-0.4 2,-0.3 0.530 60.0 8.8-129.2 -14.8 -14.0 -89.2 -13.6 25 42 E b E -J 18 0B 0 -7,-1.1 -7,-3.3 208,-0.2 -1,-0.4 -0.984 60.9-129.7-160.7 162.9 -11.9 -89.8 -10.5 26 43 E G E +J 17 0B 2 144,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.454 24.5 175.9-107.5-175.8 -9.7 -88.1 -7.9 27 44 E G E -J 16 0B 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.968 24.3-111.6-174.1 175.7 -6.2 -89.0 -6.6 28 45 E S E -JL 15 36B 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.6 -0.990 18.0-131.8-131.1 136.5 -3.4 -87.9 -4.4 29 46 E L E + L 0 35B 0 -15,-2.2 74,-2.0 -2,-0.4 6,-0.2 -0.742 27.3 171.9 -84.5 117.2 0.2 -86.7 -5.2 30 47 E I E - 0 0 19 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.602 68.2 -5.1-102.9 -14.1 2.6 -88.6 -3.0 31 48 E N E > S- L 0 34B 43 3,-1.2 3,-1.0 70,-0.1 -1,-0.3 -0.938 91.3 -79.8-163.1 171.9 5.9 -87.5 -4.5 32 49 E D T 3 S+ 0 0 68 -2,-0.3 62,-2.2 1,-0.2 60,-0.1 0.573 126.6 28.4 -63.3 -5.6 6.8 -85.4 -7.6 33 50 E Q T 3 S+ 0 0 47 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.355 110.7 69.4-133.3 5.3 6.3 -88.2 -10.1 34 51 E W E < -LM 31 89B 9 -3,-1.0 -4,-2.0 55,-0.2 -3,-1.2 -0.979 48.1-172.3-135.0 142.5 3.6 -90.5 -8.5 35 52 E V E -LM 29 88B 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.947 14.3-146.6-126.0 144.3 -0.1 -90.3 -7.7 36 53 E V E +LM 28 87B 0 -8,-2.8 -8,-2.5 -2,-0.3 2,-0.2 -0.925 31.6 146.7-113.3 140.6 -2.2 -92.8 -5.7 37 54 E S E - M 0 86B 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.777 49.6 -64.7-150.6-167.5 -5.8 -93.5 -6.6 38 55 E A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.703 34.5-131.2 -94.0 146.7 -8.4 -96.3 -6.6 39 56 E A G > S+ 0 0 1 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.799 105.5 64.1 -65.7 -29.4 -8.0 -99.4 -8.8 40 57 E H G 3 S+ 0 0 15 1,-0.3 -1,-0.3 41,-0.1 193,-0.1 0.568 90.8 69.0 -73.2 -2.1 -11.6 -99.1 -10.1 41 58 E b G < S+ 0 0 1 -3,-1.4 -1,-0.3 -15,-0.0 -2,-0.2 0.304 74.2 136.7 -92.8 6.3 -10.5 -95.8 -11.6 42 59 E Y < + 0 0 112 -3,-1.6 2,-0.3 212,-0.1 -3,-0.0 -0.283 20.6 160.3 -59.5 137.6 -8.3 -97.6 -14.1 43 60 E K - 0 0 48 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.954 46.4-121.3-152.3 148.4 -8.4 -96.4 -17.8 44 61 E S S S+ 0 0 88 -2,-0.3 2,-0.5 1,-0.2 26,-0.1 0.833 102.8 36.9 -65.0 -32.9 -5.8 -97.0 -20.5 45 62 E R S S+ 0 0 196 -25,-0.0 2,-0.4 -3,-0.0 -1,-0.2 -0.980 72.5 169.6-125.5 122.1 -5.3 -93.3 -21.0 46 63 E I - 0 0 8 -2,-0.5 21,-2.6 21,-0.2 2,-0.5 -0.995 19.7-159.8-136.1 133.0 -5.3 -90.9 -18.1 47 64 E Q E -KN 19 66B 49 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.5 -0.937 17.5-145.3-109.2 131.4 -4.3 -87.2 -17.9 48 66 E V E -KN 18 65B 0 17,-3.5 17,-2.7 -2,-0.5 2,-0.6 -0.833 8.6-159.6 -98.7 130.8 -3.6 -85.9 -14.4 49 67 E R E -KN 17 64B 54 -32,-2.6 -32,-1.9 -2,-0.5 3,-0.3 -0.941 12.5-175.4-115.5 116.4 -4.6 -82.3 -13.5 50 68 E L E +KN 16 63B 2 13,-3.1 13,-2.2 -2,-0.6 -34,-0.1 -0.705 59.8 32.1-108.0 158.9 -2.8 -80.7 -10.6 51 69 E G S S+ 0 0 3 -36,-0.5 10,-0.2 48,-0.3 2,-0.2 0.714 83.8 152.7 71.1 22.9 -3.3 -77.3 -8.9 52 70 E E + 0 0 13 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.501 24.0 152.8 -88.0 151.4 -7.0 -77.3 -9.7 53 71 E H S S+ 0 0 17 1,-0.3 75,-1.1 4,-0.2 2,-0.8 0.381 82.5 30.9-133.0 -63.9 -9.9 -75.6 -7.8 54 72 E N B > S-P 127 0C 34 73,-0.2 3,-1.2 3,-0.2 -1,-0.3 -0.889 70.7-164.2-100.3 107.9 -12.6 -75.0 -10.5 55 73 E I T 3 S+ 0 0 21 71,-2.5 -1,-0.1 -2,-0.8 72,-0.1 0.557 84.2 57.6 -72.5 -4.2 -12.1 -77.9 -13.0 56 74 E N T 3 S+ 0 0 117 70,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.470 101.6 58.3-103.0 -2.5 -14.2 -76.1 -15.6 57 75 E V S < S- 0 0 77 -3,-1.2 2,-1.0 69,-0.2 -4,-0.2 -0.986 81.0-122.5-131.4 137.4 -12.1 -72.9 -15.9 58 76 E L + 0 0 136 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.694 36.3 174.8 -78.3 106.9 -8.4 -72.3 -16.7 59 77 E E - 0 0 56 -2,-1.0 -1,-0.2 -5,-0.2 -4,-0.0 0.651 43.5-111.4 -89.9 -22.2 -7.3 -70.5 -13.6 60 78 E G S S+ 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.109 101.0 72.8 114.0 -25.8 -3.5 -70.2 -14.1 61 79 E N + 0 0 58 -10,-0.2 2,-0.1 2,-0.0 38,-0.1 0.307 69.7 118.7-104.9 8.4 -2.0 -72.5 -11.5 62 80 E E - 0 0 24 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.401 45.2-160.3 -77.3 150.4 -2.9 -75.9 -13.2 63 81 E Q E -N 50 0B 34 -13,-2.2 -13,-3.1 -2,-0.1 2,-0.5 -1.000 4.4-159.1-129.8 127.9 -0.5 -78.5 -14.4 64 82 E F E +N 49 0B 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.951 19.6 167.8-109.8 121.5 -1.6 -81.1 -16.9 65 83 E V E -N 48 0B 16 -17,-2.7 -17,-3.5 -2,-0.5 2,-0.1 -0.997 28.9-127.7-139.7 133.2 0.5 -84.3 -17.1 66 84 E N E -N 47 0B 91 -2,-0.4 25,-2.6 -19,-0.2 2,-0.3 -0.467 29.0-109.4 -79.4 149.2 -0.1 -87.6 -18.8 67 85 E A E -O 90 0B 22 -21,-2.6 23,-0.2 23,-0.2 -21,-0.2 -0.615 30.0-176.1 -75.9 132.3 0.1 -90.9 -16.9 68 86 E A E S+ 0 0 58 21,-3.4 2,-0.4 1,-0.4 22,-0.2 0.789 72.1 17.3 -97.3 -38.0 3.2 -92.9 -18.1 69 87 E K E -O 89 0B 74 20,-1.5 20,-2.7 2,-0.0 2,-0.5 -1.000 62.2-163.9-139.3 133.8 2.6 -96.0 -16.0 70 88 E I E -O 88 0B 40 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.978 12.4-177.7-121.4 117.2 -0.6 -97.3 -14.4 71 89 E I E -O 87 0B 34 16,-3.3 16,-3.0 -2,-0.5 2,-0.2 -0.915 6.8-164.5-123.5 107.8 -0.2 -100.0 -11.8 72 90 E K E -O 86 0B 77 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.521 41.8 -87.0 -84.4 154.2 -3.1 -101.6 -10.0 73 91 E H > - 0 0 23 12,-2.4 3,-1.9 10,-0.3 -1,-0.1 -0.377 37.9-127.7 -57.8 134.7 -2.6 -103.6 -6.8 74 92 E P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.714 106.7 47.9 -59.4 -19.4 -2.0 -107.2 -8.0 75 93 E N T 3 S+ 0 0 109 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.147 77.0 142.1-109.5 19.6 -4.7 -108.5 -5.7 76 94 E F < - 0 0 35 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.363 37.4-153.8 -62.1 135.0 -7.5 -106.1 -6.6 77 95 E D > - 0 0 70 5,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.964 6.7-159.7-116.8 115.8 -10.9 -107.7 -6.8 78 96 E R T 4 S+ 0 0 192 -2,-0.6 178,-0.4 1,-0.2 -1,-0.1 0.663 91.7 43.5 -65.5 -21.6 -13.4 -105.9 -9.1 79 97 E K T 4 S+ 0 0 136 176,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.893 126.0 26.4 -91.9 -49.7 -16.4 -107.5 -7.4 80 98 E T T 4 S- 0 0 64 2,-0.1 -2,-0.2 69,-0.0 3,-0.1 0.690 93.9-136.0 -86.9 -22.3 -15.5 -107.2 -3.6 81 99 E L >< + 0 0 5 -4,-2.4 3,-0.9 1,-0.3 2,-0.2 0.626 45.0 159.4 73.6 16.3 -13.3 -104.1 -4.1 82 100 E N T 3 + 0 0 37 1,-0.3 -5,-1.9 -5,-0.2 -1,-0.3 -0.493 67.4 15.6 -69.4 139.8 -10.6 -105.6 -1.8 83 101 E N T 3 S+ 0 0 17 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.874 79.3 176.0 62.9 40.3 -7.2 -103.9 -2.4 84 102 E D < + 0 0 0 -3,-0.9 2,-0.3 68,-0.2 -1,-0.2 -0.523 33.7 116.0 -77.8 79.5 -8.8 -101.1 -4.3 85 103 E I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.997 36.8 179.0-149.7 146.6 -5.6 -99.1 -4.8 86 104 E M E -MO 37 72B 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.997 17.5-140.7-151.2 147.2 -3.5 -98.1 -7.8 87 105 E L E -MO 36 71B 0 -16,-3.0 -16,-3.3 -2,-0.3 2,-0.5 -0.895 11.2-164.2-111.9 141.7 -0.3 -96.1 -8.6 88 106 E I E -MO 35 70B 0 -53,-2.8 -53,-2.6 -2,-0.4 2,-0.5 -0.990 6.2-155.5-126.7 123.2 0.2 -93.7 -11.5 89 107 E K E -MO 34 69B 48 -20,-2.7 -21,-3.4 -2,-0.5 -20,-1.5 -0.862 23.4-127.8 -97.5 131.7 3.6 -92.6 -12.5 90 108 E L E - 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