==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-OCT-04 1XVM . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR A.SCHMIDT,V.S.LAMZIN . 227 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 61.7 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 . 78 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 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 4 3 2 2 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 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.0 -2.7 8.2 -7.8 2 17 A V B +A 174 0A 22 172,-2.9 172,-1.8 1,-0.2 125,-0.1 -0.874 360.0 7.8-102.0 134.2 -3.2 8.8 -11.6 3 18 A G S S+ 0 0 47 -2,-0.4 -1,-0.2 123,-0.4 2,-0.1 0.755 100.3 135.7 75.3 20.8 -6.8 9.3 -12.8 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 136,-0.1 136,-0.2 -0.191 46.0-134.6 -96.7-175.0 -8.3 9.4 -9.4 5 20 A T E -B 139 0B 86 134,-2.3 134,-2.5 -3,-0.1 2,-0.2 -0.876 39.8 -77.5-137.8 159.2 -10.8 11.4 -7.4 6 21 A S E -B 138 0B 81 -2,-0.3 132,-0.2 132,-0.2 2,-0.2 -0.442 43.4-128.3 -63.5 133.3 -10.8 12.8 -3.9 7 22 A A - 0 0 9 130,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.514 21.9-130.6 -72.1 148.7 -11.4 10.5 -1.1 8 23 A S > - 0 0 71 -2,-0.2 3,-2.2 1,-0.1 4,-0.4 -0.647 36.1 -79.8 -93.8 159.4 -14.1 11.4 1.4 9 24 A A T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -2,-0.2 48,-0.0 -0.278 118.4 15.9 -54.9 132.0 -13.7 11.4 5.2 10 25 A G T 3 S+ 0 0 36 89,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.485 87.2 118.4 80.7 2.6 -14.0 7.9 6.5 11 26 A D S < S+ 0 0 45 -3,-2.2 -2,-0.1 1,-0.3 3,-0.1 0.869 93.6 16.6 -63.0 -38.1 -13.5 6.2 3.2 12 27 A F S > S+ 0 0 14 -4,-0.4 3,-1.9 87,-0.1 -1,-0.3 -0.739 71.9 177.9-134.4 79.8 -10.4 4.5 4.5 13 28 A P T 3 S+ 0 0 46 0, 0.0 88,-1.5 0, 0.0 43,-0.3 0.749 82.2 48.9 -60.5 -23.8 -10.5 4.7 8.3 14 29 A F T 3 S+ 0 0 10 86,-0.2 16,-3.1 88,-0.1 89,-0.2 0.366 81.7 118.3 -93.7 -4.5 -7.2 2.7 8.5 15 30 A I E < -K 29 0C 8 -3,-1.9 41,-0.7 14,-0.2 2,-0.4 -0.448 39.9-173.1 -74.9 142.9 -5.1 4.6 6.0 16 31 A V E -KL 28 55C 0 12,-2.4 12,-1.9 39,-0.2 2,-0.4 -0.964 18.9-135.5-127.1 149.0 -1.9 6.3 7.2 17 32 A S E -KL 27 54C 10 37,-2.2 37,-2.0 -2,-0.4 2,-0.5 -0.831 16.1-151.8 -96.3 145.8 0.5 8.5 5.5 18 33 A I E -KL 26 53C 3 8,-2.7 8,-2.4 -2,-0.4 7,-0.9 -0.973 11.3-168.8-122.7 112.3 4.2 7.9 6.0 19 34 A S E -KL 24 52C 24 33,-2.7 33,-1.9 -2,-0.5 2,-0.4 -0.694 4.5-158.2 -95.9 153.9 6.6 10.8 5.8 20 35 A R E > S-KL 23 51C 59 3,-2.6 3,-2.0 -2,-0.3 31,-0.2 -0.992 74.7 -10.4-135.6 126.0 10.3 10.5 5.6 21 36 A N T 3 S- 0 0 125 29,-2.5 30,-0.1 -2,-0.4 -1,-0.1 0.840 130.3 -56.4 53.4 35.2 12.7 13.3 6.6 22 37 A G T 3 S+ 0 0 75 28,-0.5 -1,-0.3 1,-0.3 29,-0.1 0.489 119.9 95.1 78.8 6.8 9.7 15.6 6.6 23 38 A G E < S-K 20 0C 25 -3,-2.0 -3,-2.6 1,-0.1 -1,-0.3 -0.770 85.0 -77.0-122.8 169.7 8.5 14.9 3.1 24 39 A P E +K 19 0C 64 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.298 57.7 146.1 -66.7 148.3 6.1 12.6 1.4 25 40 A W E - 0 0 82 -7,-0.9 2,-0.3 1,-0.4 155,-0.3 0.444 52.3 -20.7-146.3 -64.0 7.2 9.0 1.1 26 41 A a E -K 18 0C 9 -8,-2.4 -8,-2.7 153,-0.1 -1,-0.4 -0.883 47.9-121.6-148.0 176.0 4.7 6.1 1.3 27 42 A G E +K 17 0C 2 153,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.711 27.2 175.6-112.9 176.2 1.3 5.0 2.5 28 43 A G E -K 16 0C 0 -12,-1.9 -12,-2.4 -2,-0.2 2,-0.4 -0.960 25.7-110.8-165.7-178.7 0.3 2.3 4.9 29 44 A S E -KM 15 37C 3 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.995 23.1-128.0-129.9 131.3 -2.6 0.7 6.7 30 45 A L E + M 0 36C 1 -16,-3.1 73,-2.4 -2,-0.4 6,-0.2 -0.669 25.6 176.8 -78.8 119.4 -3.3 0.6 10.5 31 46 A L E - 0 0 19 4,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.728 65.9 -22.2 -92.0 -31.4 -3.8 -2.9 11.7 32 47 A N E > S- M 0 35C 39 3,-1.1 3,-1.2 69,-0.1 -1,-0.3 -0.889 92.5 -61.8-166.7-177.5 -4.3 -2.3 15.4 33 48 A A T 3 S+ 0 0 31 -2,-0.3 61,-2.7 1,-0.3 59,-0.1 0.720 131.6 20.0 -59.1 -26.4 -3.4 0.4 17.8 34 49 A N T 3 S+ 0 0 56 59,-0.2 56,-2.3 190,-0.2 2,-0.4 0.191 107.9 85.8-128.2 23.9 0.4 0.1 17.4 35 50 A T E < -MN 32 89C 0 -3,-1.2 -4,-2.7 54,-0.2 -3,-1.1 -0.983 44.7-175.6-135.6 130.9 0.9 -1.6 14.1 36 51 A V E -MN 30 88C 0 52,-2.5 52,-3.0 -2,-0.4 2,-0.5 -0.956 15.0-147.0-120.4 137.3 1.1 -0.4 10.5 37 52 A L E +MN 29 87C 2 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.3 -0.896 34.2 147.4 -97.0 131.0 1.4 -2.5 7.3 38 53 A T E - N 0 86C 0 48,-2.3 48,-2.5 -2,-0.5 2,-0.3 -0.833 51.9 -70.4-146.2-176.0 3.4 -1.0 4.5 39 54 A A >> - 0 0 0 -12,-0.4 3,-1.2 -2,-0.3 4,-0.5 -0.635 36.2-132.4 -80.9 140.0 5.7 -2.0 1.6 40 55 A A H >> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.3 3,-1.6 0.876 105.5 62.3 -55.7 -39.5 9.1 -3.3 2.6 41 56 A H H 34 S+ 0 0 34 1,-0.3 -1,-0.3 2,-0.2 44,-0.0 0.731 95.0 62.7 -67.4 -17.0 10.8 -1.1 0.1 42 57 A a H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.766 123.9 11.7 -69.6 -27.9 9.4 1.9 1.9 43 58 A V H X< S+ 0 0 4 -3,-1.6 3,-1.6 -4,-0.5 -2,-0.2 0.608 83.5 127.4-128.8 -18.8 11.4 1.1 5.0 44 59 A S T 3< S- 0 0 54 -4,-2.9 3,-0.1 1,-0.3 29,-0.0 -0.269 90.9 -11.5 -64.0 120.3 14.1 -1.6 4.6 45 60 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.321 101.4 123.7 79.7 -4.1 17.5 -0.5 5.8 46 61 A Y S < S- 0 0 91 -3,-1.6 2,-0.3 1,-0.1 -1,-0.3 -0.512 77.7 -86.1 -84.4 157.0 16.6 3.2 6.2 47 62 A A > - 0 0 69 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 -0.435 35.1-147.6 -63.5 124.2 17.1 5.0 9.4 48 63 A Q G > S+ 0 0 78 -2,-0.3 3,-1.5 1,-0.3 21,-0.4 0.780 90.4 69.5 -67.8 -27.5 13.9 4.4 11.4 49 64 A S G 3 S+ 0 0 120 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.669 87.4 68.1 -65.8 -18.2 14.1 7.9 13.1 50 65 A G G < S+ 0 0 16 -3,-1.4 -29,-2.5 -30,-0.1 -28,-0.5 0.575 85.7 87.8 -76.3 -11.4 13.3 9.6 9.8 51 66 A F E < -L 20 0C 7 -3,-1.5 18,-0.4 -31,-0.2 2,-0.4 -0.670 48.0-179.9 -98.5 146.3 9.8 8.3 9.5 52 67 A Q E -L 19 0C 80 -33,-1.9 -33,-2.7 -2,-0.3 2,-0.3 -0.997 13.6-151.1-137.5 136.5 6.5 9.7 10.9 53 68 A I E -LO 18 67C 0 14,-2.9 14,-2.1 -2,-0.4 2,-0.4 -0.835 6.2-164.3-104.3 144.2 3.1 8.2 10.5 54 69 A R E -LO 17 66C 43 -37,-2.0 -37,-2.2 -2,-0.3 2,-0.3 -0.997 10.5-178.8-129.8 129.2 -0.1 10.2 10.4 55 70 A A E +LO 16 65C 2 10,-2.7 10,-2.2 -2,-0.4 -39,-0.2 -0.854 56.5 34.9-119.4 155.5 -3.5 8.6 10.9 56 71 A G S S+ 0 0 26 -41,-0.7 8,-0.4 -2,-0.3 2,-0.3 0.687 92.6 97.1 80.3 21.8 -7.1 9.9 10.9 57 72 A S - 0 0 32 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.996 63.4-147.1-140.9 147.6 -6.7 12.6 8.3 58 73 A L S S+ 0 0 53 -2,-0.3 79,-1.9 -3,-0.1 2,-0.3 0.676 89.3 75.3 -76.8 -20.7 -7.3 13.1 4.6 59 74 A S B -Q 136 0D 13 3,-0.4 77,-0.2 77,-0.2 -42,-0.1 -0.735 69.0-152.5 -95.0 144.1 -4.3 15.4 4.6 60 75 A R S S+ 0 0 54 75,-2.1 -1,-0.1 -2,-0.3 76,-0.1 0.633 95.7 41.8 -83.3 -12.9 -0.7 14.1 4.8 61 76 A T S S+ 0 0 69 74,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.597 116.1 28.6-111.0 -13.8 0.5 17.3 6.4 62 77 A S S S+ 0 0 70 73,-0.2 -3,-0.4 -8,-0.0 -1,-0.2 -0.984 89.1 26.4-149.2 153.9 -2.1 18.2 9.0 63 78 A G S S+ 0 0 44 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 -0.010 77.2 55.8 86.8 173.3 -4.7 16.8 11.3 64 79 A G S S- 0 0 49 -8,-0.4 2,-0.4 -10,-0.1 -8,-0.2 -0.272 92.4 -48.8 66.7-153.5 -5.1 13.4 12.9 65 80 A I E -O 55 0C 59 -10,-2.2 -10,-2.7 -3,-0.1 2,-0.3 -0.974 49.1-155.1-125.4 134.4 -2.7 11.7 15.1 66 81 A T E +O 54 0C 51 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.737 11.1 179.8-112.3 158.6 1.0 11.2 14.5 67 82 A S E -O 53 0C 3 -14,-2.1 -14,-2.9 -2,-0.3 2,-0.1 -0.990 20.4-136.4-151.4 146.3 3.5 8.6 15.7 68 83 A S - 0 0 61 -2,-0.3 23,-2.3 -16,-0.2 24,-0.5 -0.396 40.4 -94.6 -84.2 175.3 7.2 7.8 15.3 69 84 A L E -P 90 0C 19 -18,-0.4 21,-0.3 -21,-0.4 3,-0.1 -0.750 27.4-175.6 -97.9 141.5 8.4 4.2 14.8 70 85 A S E S- 0 0 64 19,-3.2 2,-0.3 1,-0.4 20,-0.2 0.758 73.4 -9.6 -98.3 -36.7 9.6 1.8 17.5 71 86 A S E -P 89 0C 54 18,-1.3 18,-2.6 -23,-0.1 -1,-0.4 -0.981 53.6-144.9-160.2 161.4 10.6 -1.1 15.2 72 87 A V E -P 88 0C 32 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.998 11.0-172.9-132.2 132.9 10.4 -2.4 11.6 73 88 A R E -P 87 0C 32 14,-2.7 14,-2.9 -2,-0.4 2,-0.2 -0.980 9.0-160.9-130.1 119.4 10.1 -6.0 10.6 74 89 A V E -P 86 0C 41 -2,-0.4 12,-0.2 12,-0.2 10,-0.1 -0.643 39.3 -85.8 -95.4 151.0 10.4 -6.9 6.9 75 90 A H > - 0 0 24 10,-2.3 3,-2.1 8,-0.3 -1,-0.1 -0.346 39.9-124.5 -53.9 133.9 9.0 -10.1 5.4 76 91 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.730 109.1 45.0 -60.1 -18.5 11.8 -12.7 5.9 77 92 A S T 3 S+ 0 0 69 6,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.165 75.9 142.0-110.7 15.4 11.8 -13.5 2.2 78 93 A Y < + 0 0 61 -3,-2.1 2,-0.3 7,-0.1 5,-0.2 -0.501 20.6 154.5 -60.6 125.5 11.7 -10.0 0.9 79 94 A S B > -R 82 0E 87 3,-1.8 3,-2.5 -2,-0.3 2,-0.2 -0.928 59.9 -32.8-158.2 125.2 14.0 -9.9 -2.2 80 95 A G T 3 S- 0 0 59 -2,-0.3 -39,-0.0 1,-0.3 -2,-0.0 -0.407 126.6 -27.7 59.1-126.7 13.9 -7.6 -5.2 81 96 A N T > S+ 0 0 66 -2,-0.2 3,-0.5 -3,-0.1 2,-0.3 0.396 115.8 109.7 -94.5 -2.5 10.2 -6.7 -5.7 82 97 A N B < S+R 79 0E 38 -3,-2.5 -3,-1.8 1,-0.2 3,-0.1 -0.646 81.7 5.3 -88.4 141.0 9.1 -10.0 -4.1 83 98 A N T 3 S- 0 0 11 -2,-0.3 2,-2.1 -5,-0.2 -8,-0.3 0.901 77.9-179.0 60.7 48.1 7.3 -10.3 -0.8 84 99 A D < + 0 0 2 -3,-0.5 2,-0.3 78,-0.1 127,-0.2 -0.389 32.4 113.3 -87.8 67.1 7.3 -6.5 -0.5 85 100 A L - 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