==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 21-MAY-08 2VU8 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR P.LEONE,A.ROUSSEL,C.KELLENBERGER . 257 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 34.6 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 5.8 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 1 1 0 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 . 4 4 3 4 3 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 0 0 1 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 E I 0 0 4 0, 0.0 2,-0.4 0, 0.0 174,-0.2 0.000 360.0 360.0 360.0 128.1 -9.1 45.6 47.0 2 17 E V B +A 174 0A 18 172,-3.0 172,-1.9 1,-0.2 125,-0.1 -0.890 360.0 8.3-113.1 137.9 -11.4 48.7 47.0 3 18 E G S S+ 0 0 53 123,-0.5 138,-0.2 -2,-0.4 -1,-0.2 0.543 105.6 111.1 71.0 9.9 -12.3 50.7 43.9 4 19 E G - 0 0 37 170,-0.2 2,-0.3 -3,-0.1 136,-0.3 -0.091 56.5-127.8 -99.5-163.9 -10.6 48.2 41.6 5 20 E T E -B 139 0B 83 134,-2.6 134,-2.3 -3,-0.1 -1,-0.0 -0.930 40.7 -66.4-142.1 164.8 -11.5 45.7 38.9 6 21 E S E -B 138 0B 74 -2,-0.3 132,-0.3 132,-0.2 2,-0.2 -0.274 53.6-127.8 -50.2 129.6 -11.0 42.0 38.0 7 22 E A - 0 0 8 130,-2.2 2,-0.3 51,-0.1 -1,-0.1 -0.479 22.7-119.8 -77.7 156.8 -7.3 41.3 37.2 8 23 E S > - 0 0 61 -2,-0.2 3,-2.2 1,-0.1 4,-0.4 -0.665 31.8 -89.5-100.7 153.6 -6.5 39.6 33.9 9 24 E A T 3 S+ 0 0 75 1,-0.3 -1,-0.1 -2,-0.3 48,-0.0 -0.438 116.9 17.0 -56.4 122.2 -4.7 36.3 33.3 10 25 E G T 3 S+ 0 0 47 89,-0.2 -1,-0.3 -2,-0.2 4,-0.1 0.349 87.2 112.7 95.6 -5.4 -1.0 37.3 33.1 11 26 E D S < S+ 0 0 60 -3,-2.2 -2,-0.1 1,-0.3 3,-0.1 0.798 96.9 18.1 -67.8 -32.0 -1.1 40.8 34.7 12 27 E F S > S+ 0 0 13 -4,-0.4 3,-1.5 1,-0.1 -1,-0.3 -0.677 70.9 177.3-139.2 78.3 0.9 39.6 37.7 13 28 E P T 3 S+ 0 0 40 0, 0.0 88,-0.6 0, 0.0 43,-0.4 0.778 82.3 48.0 -53.9 -28.4 2.6 36.3 36.7 14 29 E F T 3 S+ 0 0 8 86,-0.2 16,-2.8 88,-0.1 89,-0.2 0.429 80.7 117.7 -95.8 -7.3 4.3 36.1 40.2 15 30 E I E < -M 29 0C 9 -3,-1.5 41,-0.6 14,-0.2 42,-0.3 -0.439 41.0-172.7 -68.5 137.9 1.4 36.9 42.5 16 31 E V E -MN 28 55C 0 12,-1.5 12,-2.1 39,-0.2 2,-0.3 -0.925 19.6-134.8-122.8 153.1 0.5 34.1 45.0 17 32 E S E -MN 27 54C 9 37,-1.9 37,-2.6 -2,-0.3 2,-0.4 -0.822 18.1-154.2 -98.4 148.6 -2.4 33.7 47.4 18 33 E I E -MN 26 53C 2 8,-2.6 8,-2.2 -2,-0.3 7,-0.6 -0.978 8.1-166.8-128.3 110.0 -1.5 32.5 50.9 19 34 E S E -MN 24 52C 27 33,-2.0 33,-1.4 -2,-0.4 2,-0.4 -0.628 6.5-153.8 -88.1 155.3 -4.1 30.6 53.0 20 35 E R E > S-MN 23 51C 57 3,-2.4 3,-1.7 -2,-0.2 31,-0.2 -0.995 77.9 -12.0-130.7 131.6 -3.7 29.9 56.8 21 37 E N T 3 S- 0 0 76 29,-1.5 30,-0.1 -2,-0.4 -1,-0.1 0.746 131.6 -53.0 45.3 34.3 -5.5 26.9 58.3 22 38 E G T 3 S+ 0 0 76 28,-0.5 -1,-0.3 1,-0.3 29,-0.1 0.599 119.8 98.2 84.4 15.0 -7.5 26.5 55.1 23 39 E G E < S-M 20 0C 5 -3,-1.7 -3,-2.4 1,-0.1 -1,-0.3 -0.858 81.8 -86.1-128.0 162.9 -8.8 30.0 54.9 24 40 E P E +M 19 0C 36 0, 0.0 -5,-0.2 0, 0.0 -4,-0.1 -0.285 56.6 142.4 -63.3 156.9 -7.8 33.2 53.1 25 41 E W E - 0 0 8 -7,-0.6 229,-2.0 1,-0.4 155,-0.3 0.327 54.8 -8.6-162.7 -58.4 -5.2 35.4 54.8 26 42 E a E -M 18 0C 5 -8,-2.2 -8,-2.6 227,-0.2 -1,-0.4 -0.928 49.6-128.9-149.5 169.4 -2.5 37.2 52.7 27 43 E G E +M 17 0C 2 153,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.690 26.8 179.6-112.5 177.0 -1.0 37.5 49.3 28 44 E G E -M 16 0C 0 -12,-2.1 -12,-1.5 -2,-0.2 2,-0.4 -0.895 24.9-110.0-158.1-170.1 2.6 37.3 48.1 29 45 E S E -MO 15 37C 2 8,-1.5 8,-2.3 -2,-0.3 2,-0.5 -0.989 22.7-132.4-141.1 125.8 5.1 37.5 45.3 30 46 E L E + O 0 36C 0 -16,-2.8 73,-2.7 -2,-0.4 6,-0.2 -0.700 24.7 175.0 -78.5 121.4 7.1 34.6 43.8 31 47 E L E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.714 66.5 -20.4 -96.1 -32.8 10.8 35.7 43.6 32 48 E N E > S- O 0 35C 40 3,-1.1 3,-1.8 69,-0.1 -1,-0.3 -0.937 90.2 -62.8-163.6-176.2 12.1 32.3 42.4 33 49 E A T 3 S+ 0 0 26 1,-0.3 61,-3.4 -2,-0.3 59,-0.1 0.727 132.9 19.1 -52.9 -28.1 11.3 28.6 42.3 34 50 E N T 3 S+ 0 0 57 59,-0.2 56,-2.1 190,-0.2 2,-0.4 0.085 108.4 88.4-131.3 20.2 11.3 28.3 46.1 35 51 E T E < +OP 32 89C 0 -3,-1.8 -4,-2.4 54,-0.2 -3,-1.1 -0.986 40.6 177.3-131.8 130.5 10.9 31.9 47.4 36 52 E V E -OP 30 88C 0 52,-2.2 52,-3.1 -2,-0.4 2,-0.5 -0.976 16.5-150.3-125.7 139.8 7.8 34.1 48.3 37 53 E L E +OP 29 87C 4 -8,-2.3 -8,-1.5 -2,-0.4 2,-0.2 -0.952 31.8 147.2-110.1 126.6 8.0 37.6 49.7 38 54 E T E - P 0 86C 0 48,-2.4 48,-2.4 -2,-0.5 2,-0.2 -0.738 51.5 -61.7-141.1-170.7 5.1 38.7 51.9 39 55 E A >> - 0 0 0 -12,-0.4 3,-1.1 46,-0.3 4,-0.6 -0.570 37.6-128.4 -81.2 142.6 4.5 40.9 54.9 40 56 E A H >> S+ 0 0 0 1,-0.2 4,-2.6 -2,-0.2 3,-1.1 0.872 109.1 57.8 -54.6 -35.4 6.3 40.1 58.2 41 57 E H H 34 S+ 0 0 7 1,-0.3 -1,-0.2 2,-0.2 198,-0.1 0.648 94.0 66.0 -78.0 -15.1 2.9 40.3 60.0 42 58 E a H <4 S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.736 122.1 15.1 -69.1 -28.0 1.4 37.6 57.8 43 59 E V H X< S+ 0 0 6 -3,-1.1 3,-1.4 -4,-0.6 -2,-0.2 0.620 93.7 111.6-125.6 -18.3 3.8 35.0 59.2 44 59AE S T 3< S+ 0 0 49 -4,-2.6 3,-0.1 1,-0.3 42,-0.0 -0.392 90.5 7.8 -72.8 133.5 5.4 36.4 62.4 45 59BE G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.340 109.9 107.5 81.0 -5.4 4.3 34.7 65.7 46 59CE Y S < S- 0 0 65 -3,-1.4 2,-0.5 1,-0.0 -1,-0.3 -0.652 80.2 -95.4-106.4 162.7 2.4 32.0 63.7 47 59DE A > - 0 0 61 -2,-0.2 3,-2.0 1,-0.2 4,-0.3 -0.617 26.0-146.6 -76.9 119.2 3.0 28.3 63.0 48 60 E Q G > S+ 0 0 83 -2,-0.5 3,-1.3 1,-0.3 21,-0.4 0.772 93.6 69.3 -56.8 -26.6 4.7 27.9 59.6 49 61 E S G 3 S+ 0 0 108 1,-0.2 -1,-0.3 19,-0.1 -2,-0.0 0.660 86.4 66.0 -69.9 -16.7 2.8 24.6 59.1 50 62 E G G < S+ 0 0 17 -3,-2.0 -29,-1.5 -30,-0.1 -28,-0.5 0.634 85.2 95.2 -76.3 -14.0 -0.6 26.4 58.7 51 63 E F E < +N 20 0C 5 -3,-1.3 18,-0.6 -4,-0.3 2,-0.4 -0.696 43.9 174.4 -96.3 124.1 0.4 28.1 55.5 52 64 E Q E -NQ 19 68C 76 -33,-1.4 -33,-2.0 -2,-0.5 2,-0.3 -0.936 15.5-154.0-113.9 146.4 -0.2 27.0 51.9 53 65 E I E -NQ 18 67C 0 14,-2.8 14,-1.8 -2,-0.4 2,-0.4 -0.879 1.9-158.1-114.3 148.1 0.7 29.2 48.9 54 65AE R E +NQ 17 66C 43 -37,-2.6 -37,-1.9 -2,-0.3 2,-0.3 -0.996 13.1 177.6-129.6 126.9 -0.9 29.1 45.4 55 66 E A E +NQ 16 65C 1 10,-2.9 10,-2.8 -2,-0.4 -39,-0.2 -0.854 58.4 35.8-118.7 158.1 0.8 30.4 42.3 56 69 E G S S+ 0 0 22 -41,-0.6 8,-0.4 -43,-0.4 2,-0.4 0.605 94.2 97.7 80.2 14.7 -0.3 30.5 38.7 57 70 E S - 0 0 20 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.997 61.6-152.6-137.1 138.5 -4.0 31.2 39.3 58 71 E L S S+ 0 0 60 -2,-0.4 79,-2.0 -3,-0.1 2,-0.3 0.657 87.8 79.4 -70.1 -18.6 -6.3 34.2 39.4 59 72 E S B -S 136 0D 11 3,-0.4 77,-0.2 77,-0.2 -42,-0.2 -0.727 67.5-155.8 -94.3 143.9 -8.3 32.1 41.9 60 73 E R S S+ 0 0 64 75,-1.9 -1,-0.1 -2,-0.3 76,-0.1 0.552 96.0 43.9 -90.0 -8.8 -7.4 31.7 45.6 61 74 E T S S+ 0 0 78 74,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.600 118.3 17.1-109.1 -19.7 -9.3 28.3 45.8 62 75 E S S S+ 0 0 69 -8,-0.0 -3,-0.4 3,-0.0 -1,-0.2 -0.983 86.9 36.5-152.7 161.9 -8.3 26.4 42.6 63 76 E G S S+ 0 0 41 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 -0.093 75.8 51.2 88.8 171.0 -5.8 26.2 39.7 64 80 E G S S- 0 0 50 -8,-0.4 2,-0.4 -10,-0.1 -8,-0.3 -0.272 94.4 -46.9 71.0-146.0 -2.1 26.8 39.4 65 81 E I E -Q 55 0C 61 -10,-2.8 -10,-2.9 -3,-0.1 2,-0.3 -0.981 49.5-153.2-132.1 138.1 0.5 25.2 41.7 66 82 E T E +Q 54 0C 49 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.731 11.4 179.6-112.9 160.4 0.5 25.0 45.5 67 83 E S E -Q 53 0C 4 -14,-1.8 -14,-2.8 -2,-0.3 2,-0.1 -0.964 18.3-144.2-153.9 145.0 3.2 24.7 48.1 68 84 E S E -Q 52 0C 65 -2,-0.3 23,-2.6 -16,-0.2 24,-0.5 -0.395 43.3 -87.9 -89.9-179.7 3.6 24.5 51.9 69 85 E L E -R 90 0C 12 -18,-0.6 21,-0.2 -21,-0.4 3,-0.1 -0.775 28.7-176.5-102.2 139.1 6.4 26.2 53.7 70 86 E S E S- 0 0 70 19,-2.8 2,-0.3 -2,-0.4 20,-0.2 0.826 76.4 -16.4 -91.0 -43.3 9.9 24.8 54.4 71 87 E S E -R 89 0C 48 18,-1.3 18,-2.5 -23,-0.1 -1,-0.4 -0.981 55.9-139.7-157.8 164.7 11.1 27.9 56.4 72 88 E V E -R 88 0C 44 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.998 6.7-164.8-133.9 132.5 10.3 31.6 57.2 73 89 E R E -R 87 0C 125 14,-3.3 14,-2.7 -2,-0.4 2,-0.3 -0.923 9.0-163.8-119.1 106.0 12.7 34.5 57.6 74 90 E V E -R 86 0C 38 -2,-0.6 12,-0.2 12,-0.2 10,-0.1 -0.649 42.2 -86.7 -82.6 141.4 11.2 37.6 59.2 75 91 E H > - 0 0 27 10,-2.2 3,-1.8 -2,-0.3 -1,-0.1 -0.238 36.8-127.6 -40.6 128.9 13.2 40.8 58.8 76 92 E P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.686 109.0 40.2 -54.8 -25.1 15.8 40.9 61.6 77 93 E S T 3 S+ 0 0 69 6,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.002 75.8 147.3-118.5 23.2 14.5 44.4 62.5 78 94 E Y < + 0 0 66 -3,-1.8 2,-0.3 7,-0.1 5,-0.2 -0.495 22.7 166.1 -61.0 122.8 10.8 43.9 62.1 79 95 E S B > -T 82 0E 83 3,-2.1 3,-2.7 -2,-0.3 2,-0.1 -0.972 55.0 -38.8-151.6 128.1 9.4 46.2 64.7 80 96 E G T 3 S- 0 0 58 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.397 125.6 -29.6 52.0-119.2 5.8 47.4 65.1 81 99 E N T 3 S+ 0 0 26 -2,-0.1 3,-0.5 77,-0.1 -1,-0.3 0.398 117.6 106.1 -97.8 -5.8 4.8 48.0 61.5 82 100 E N B < S+T 79 0E 30 -3,-2.7 -3,-2.1 1,-0.2 3,-0.1 -0.529 79.8 15.7 -82.9 147.2 8.3 48.8 60.3 83 101 E N S S+ 0 0 20 -5,-0.2 2,-1.6 -2,-0.2 -8,-0.2 0.926 80.6 178.0 58.3 50.0 10.5 46.5 58.2 84 102 E D + 0 0 1 -3,-0.5 2,-0.3 78,-0.2 127,-0.2 -0.478 29.8 110.2 -95.6 64.4 7.4 44.5 57.5 85 103 E L - 0 0 0 -2,-1.6 -10,-2.2 -46,-0.3 2,-0.3 -0.990 39.4-172.5-134.5 145.4 8.7 41.8 55.1 86 104 E A E -PR 38 74C 0 -48,-2.4 -48,-2.4 -2,-0.3 2,-0.5 -0.992 16.7-140.4-133.3 142.4 9.1 38.1 55.5 87 105 E I E -PR 37 73C 2 -14,-2.7 -14,-3.3 -2,-0.3 2,-0.5 -0.903 16.0-159.5-100.6 128.8 10.8 35.6 53.1 88 106 E L E -PR 36 72C 0 -52,-3.1 -52,-2.2 -2,-0.5 2,-0.4 -0.949 5.6-151.2-112.3 118.3 9.1 32.2 52.8 89 107 E K E -PR 35 71C 47 -18,-2.5 -19,-2.8 -2,-0.5 -18,-1.3 -0.788 24.0-132.0 -85.5 132.9 11.1 29.2 51.5 90 108 E L E - 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