==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 15-OCT-90 1TAB . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Y.TSUNOGAE,I.TANAKA,T.YAMANE,J.-I.KIKKAWA,T.ASHIDA, . 259 3 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 56.4 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 . 73 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.4 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 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 4 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 0, 0.0 2,-0.4 0, 0.0 171,-0.2 0.000 360.0 360.0 360.0 135.3 42.7 21.5 81.9 2 17 E V B +A 171 0A 8 169,-3.9 169,-3.1 1,-0.2 123,-0.1 -0.935 360.0 12.3-112.5 126.0 40.4 21.1 84.9 3 18 E G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.619 103.9 121.5 82.9 15.0 38.9 24.1 86.5 4 19 E G - 0 0 30 -3,-0.2 2,-0.3 167,-0.2 134,-0.2 -0.051 55.2-127.1 -93.3-161.6 39.9 26.3 83.5 5 20 E Y E -B 137 0B 103 132,-1.9 132,-3.9 -3,-0.1 2,-0.3 -0.898 34.9 -86.3-146.0 160.4 38.0 28.4 81.0 6 21 E T E -B 136 0B 58 -2,-0.3 130,-0.3 130,-0.3 3,-0.1 -0.583 33.8-148.7 -73.3 124.4 37.9 28.5 77.2 7 22 E a - 0 0 17 128,-2.2 2,-0.1 -2,-0.3 -1,-0.1 0.945 36.6-115.0 -59.4 -57.6 40.6 30.7 76.1 8 23 E G > - 0 0 25 127,-0.4 3,-1.2 4,-0.1 4,-0.4 -0.118 47.9 -49.7 125.8 151.5 39.0 32.1 73.0 9 24 E A T 3 S- 0 0 65 1,-0.3 44,-0.1 -2,-0.1 43,-0.1 -0.051 123.9 -12.2 -40.9 136.8 39.9 31.6 69.4 10 25 E N T 3 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.2 43,-0.1 0.767 88.1 129.6 27.8 60.5 43.6 32.4 69.0 11 26 E T S < S+ 0 0 78 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.604 83.3 41.5-102.1 -19.3 44.0 34.0 72.4 12 27 E V S > S+ 0 0 11 -4,-0.4 3,-0.9 1,-0.1 -1,-0.2 -0.767 70.5 170.0-127.3 79.9 47.0 31.6 72.6 13 28 E P T 3 S+ 0 0 23 0, 0.0 88,-0.5 0, 0.0 38,-0.3 0.605 73.2 58.2 -73.0 -15.4 48.8 31.6 69.2 14 29 E Y T 3 S+ 0 0 31 86,-0.2 15,-1.9 88,-0.1 2,-0.2 0.629 79.1 111.9 -89.5 -13.1 51.9 29.6 70.2 15 30 E Q E < -G 28 0C 5 -3,-0.9 36,-0.4 13,-0.2 37,-0.4 -0.416 50.6-170.5 -61.1 126.1 49.7 26.7 71.3 16 31 E V E -G 27 0C 0 11,-1.5 11,-0.8 -2,-0.2 2,-0.4 -0.925 15.9-139.1-125.7 147.7 50.2 23.7 68.9 17 32 E S E -GH 26 49C 2 32,-2.1 32,-1.5 -2,-0.3 2,-0.5 -0.944 8.6-150.8-111.5 130.2 48.4 20.4 68.5 18 33 E L E -GH 25 48C 0 7,-2.9 6,-1.9 -2,-0.4 7,-0.9 -0.848 18.5-176.4 -96.1 122.9 50.3 17.1 67.9 19 34 E N E +GH 23 47C 30 28,-2.6 28,-1.9 -2,-0.5 4,-0.2 -0.989 26.0 173.1-127.9 128.5 48.2 14.6 65.9 20 37 E S S S- 0 0 36 2,-2.1 3,-0.1 -2,-0.5 26,-0.1 -0.347 98.4 -50.5-116.6 39.1 49.3 11.0 65.1 21 38 E G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.158 141.4 36.4 109.3 -18.2 45.8 10.5 63.7 22 39 E Y S S- 0 0 109 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.928 102.4 -89.6-157.6 154.9 44.3 11.9 67.0 23 40 E H E +G 19 0C 28 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.612 52.3 157.8 -71.8 133.8 45.4 14.7 69.3 24 41 E F E + 0 0 5 -6,-1.9 217,-1.4 1,-0.4 2,-0.3 0.475 58.3 9.3-128.9 -17.5 47.8 13.2 71.9 25 42 E b E -G 18 0C 0 -7,-0.9 -7,-2.9 215,-0.2 -1,-0.4 -0.994 58.8-125.8-162.5 163.6 49.8 16.1 73.1 26 43 E G E +G 17 0C 2 151,-2.7 12,-0.3 -2,-0.3 2,-0.3 -0.314 27.9 177.9-100.3-179.7 50.3 19.9 73.1 27 44 E G E -G 16 0C 0 -11,-0.8 -11,-1.5 -2,-0.1 2,-0.4 -0.906 22.7-111.2-169.7-178.1 53.5 21.7 72.2 28 45 E S E -GI 15 36C 1 8,-2.1 8,-2.9 -2,-0.3 2,-0.8 -0.989 12.0-136.8-143.0 128.7 54.9 25.2 71.8 29 46 E L E + I 0 35C 0 -15,-1.9 74,-4.0 -2,-0.4 6,-0.2 -0.707 27.6 169.2 -80.7 107.5 56.1 27.2 68.9 30 47 E I S S- 0 0 16 4,-1.4 2,-0.2 -2,-0.8 -1,-0.2 0.740 74.6 -17.3 -96.4 -18.1 59.3 28.8 70.1 31 48 E N S S- 0 0 53 3,-1.2 -1,-0.2 -3,-0.1 72,-0.1 -0.748 90.4 -74.2-160.2-169.7 60.1 29.9 66.5 32 49 E S S S+ 0 0 35 -2,-0.2 62,-2.1 1,-0.2 3,-0.1 0.543 123.4 28.3 -83.2 -11.1 58.8 29.0 62.9 33 50 E Q S S+ 0 0 64 60,-0.2 57,-4.2 1,-0.1 2,-0.4 0.537 114.4 72.1-120.6 -13.8 60.4 25.6 62.2 34 51 E W E - J 0 89C 7 55,-0.3 -4,-1.4 53,-0.0 -3,-1.2 -0.914 51.0-177.9-118.9 136.6 60.6 24.5 65.8 35 52 E V E -IJ 29 88C 0 53,-2.3 53,-4.0 -2,-0.4 2,-0.4 -0.977 16.1-145.3-132.4 135.5 58.2 23.3 68.5 36 53 E V E +IJ 28 87C 1 -8,-2.9 -8,-2.1 -2,-0.3 2,-0.2 -0.825 31.7 149.3-108.1 136.3 58.9 22.3 72.1 37 54 E S E - J 0 86C 0 49,-1.7 49,-1.2 -2,-0.4 2,-0.3 -0.706 52.6 -69.6-144.5-167.9 56.8 19.5 73.7 38 55 E A > - 0 0 0 -12,-0.3 3,-1.7 -2,-0.2 47,-0.2 -0.718 33.9-130.0 -99.0 147.8 57.6 17.0 76.4 39 56 E A G > S+ 0 0 3 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.767 108.3 64.7 -64.2 -29.4 60.0 14.1 75.7 40 57 E H G 3 S+ 0 0 3 1,-0.2 -1,-0.3 41,-0.1 200,-0.1 0.610 92.4 67.8 -72.4 -10.0 57.4 11.7 76.9 41 58 E b G < S+ 0 0 4 -3,-1.7 -1,-0.2 199,-0.1 -2,-0.2 0.318 72.0 131.2 -91.6 4.7 55.2 12.8 74.0 42 59 E Y < + 0 0 130 -3,-1.2 2,-0.3 -4,-0.1 -3,-0.0 -0.394 20.5 144.1 -67.3 136.5 57.5 11.3 71.3 43 60 E K - 0 0 54 -2,-0.2 2,-0.3 0, 0.0 3,-0.2 -0.860 48.2 -91.4-156.3 172.1 56.0 9.2 68.5 44 61 E S S S+ 0 0 109 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.751 97.9 17.4 -99.5 130.3 56.6 8.6 64.8 45 62 E G S S- 0 0 67 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.992 79.1-178.6 64.4 74.6 54.9 10.6 62.0 46 63 E I - 0 0 6 -3,-0.2 21,-2.0 -26,-0.1 2,-0.5 -0.844 18.0-150.4-104.0 142.4 53.7 13.4 64.1 47 64 E Q E -HK 19 66C 50 -28,-1.9 -28,-2.6 -2,-0.3 2,-0.3 -0.970 10.1-144.5-116.7 124.1 51.6 16.2 62.5 48 65 E V E -HK 18 65C 0 17,-2.2 17,-2.4 -2,-0.5 2,-0.5 -0.680 13.7-152.7 -86.8 140.9 51.9 19.7 64.1 49 66 E R E -HK 17 64C 50 -32,-1.5 -32,-2.1 -2,-0.3 3,-0.3 -0.959 12.3-169.1-130.2 113.4 48.6 21.7 64.0 50 67 E L E + K 0 63C 0 13,-5.0 13,-3.0 -2,-0.5 -34,-0.1 -0.758 62.3 21.0-110.1 147.7 48.8 25.4 64.0 51 69 E G S S+ 0 0 14 -36,-0.4 10,-0.3 -2,-0.3 2,-0.2 0.696 84.0 165.2 68.8 33.9 46.1 28.0 64.5 52 70 E E + 0 0 16 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.493 23.2 140.7 -82.9 135.9 43.8 25.6 66.3 53 71 E D S S+ 0 0 20 1,-0.3 2,-1.0 4,-0.2 -1,-0.2 0.350 81.1 34.7-132.6 -80.4 40.7 26.4 68.3 54 72 E N S > S- 0 0 38 3,-0.2 3,-1.1 1,-0.2 -1,-0.3 -0.801 71.3-166.7 -84.1 108.9 38.1 23.7 67.5 55 73 E I T 3 S+ 0 0 36 78,-2.4 -1,-0.2 -2,-1.0 79,-0.1 0.207 84.8 50.9 -77.2 11.1 40.4 20.7 67.0 56 74 E N T 3 S+ 0 0 118 1,-0.2 2,-0.4 77,-0.2 -1,-0.2 0.414 107.8 52.9-122.9 -4.3 37.5 18.8 65.4 57 75 E V S < S- 0 0 73 -3,-1.1 2,-0.6 76,-0.2 -4,-0.2 -1.000 82.6-121.8-135.8 133.1 36.3 21.4 62.9 58 76 E V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.595 34.5 174.5 -71.5 114.5 38.5 23.1 60.2 59 77 E E - 0 0 87 -2,-0.6 -1,-0.2 -5,-0.2 -7,-0.1 0.708 46.9-105.3-100.4 -21.0 37.9 26.8 61.1 60 78 E G S S+ 0 0 61 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.291 101.8 77.8 119.4 -14.1 40.4 28.5 58.7 61 79 E N + 0 0 63 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.396 69.9 119.8-107.7 1.7 43.4 29.7 60.6 62 80 E E - 0 0 34 -11,-0.0 2,-0.4 -13,-0.0 -11,-0.3 -0.340 41.5-171.7 -77.4 147.2 45.0 26.2 60.8 63 81 E Q E -K 50 0C 34 -13,-3.0 -13,-5.0 -2,-0.1 2,-0.7 -0.941 8.8-163.5-137.1 111.4 48.3 25.2 59.5 64 82 E F E +K 49 0C 71 -2,-0.4 2,-0.4 -15,-0.3 -15,-0.3 -0.948 17.4 173.8 -97.4 105.8 48.8 21.4 59.7 65 83 E I E -K 48 0C 18 -17,-2.4 -17,-2.2 -2,-0.7 29,-0.0 -0.963 23.8-138.2-128.4 118.6 52.5 20.7 59.2 66 84 E S E -K 47 0C 51 -2,-0.4 25,-2.3 -19,-0.3 26,-0.3 -0.327 28.3-109.7 -65.9 146.6 54.2 17.2 59.6 67 85 E A E -L 90 0C 24 -21,-2.0 23,-0.3 23,-0.2 3,-0.1 -0.349 22.2-170.2 -77.2 148.9 57.6 17.0 61.4 68 86 E S E S+ 0 0 74 21,-3.8 2,-0.3 1,-0.4 22,-0.2 0.600 77.7 15.8-109.6 -24.8 60.8 16.2 59.5 69 87 E K E -L 89 0C 72 20,-1.3 20,-3.5 2,-0.0 -1,-0.4 -0.981 58.0-168.4-153.1 137.5 62.8 15.7 62.7 70 88 E S E -L 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.999 7.9-168.5-133.3 127.7 62.2 15.1 66.4 71 89 E I E -L 87 0C 37 16,-2.4 16,-2.1 -2,-0.4 2,-0.2 -0.957 6.5-156.5-122.2 112.2 65.0 15.2 69.0 72 90 E V E -L 86 0C 44 -2,-0.5 14,-0.3 14,-0.2 12,-0.1 -0.622 40.8 -89.3 -83.3 141.8 64.5 14.0 72.7 73 91 E H > - 0 0 28 12,-2.4 3,-1.4 10,-0.2 -1,-0.1 -0.182 33.0-126.0 -50.3 137.6 66.8 15.5 75.4 74 92 E P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.843 108.6 42.8 -59.1 -32.5 70.0 13.5 75.7 75 93 E S T 3 S+ 0 0 73 2,-0.1 2,-0.3 8,-0.1 -2,-0.1 0.064 78.8 144.2-107.7 30.1 69.4 13.1 79.5 76 94 E Y < - 0 0 54 -3,-1.4 2,-0.8 9,-0.1 7,-0.2 -0.426 36.7-154.6 -66.1 120.5 65.7 12.3 79.4 77 95 E N B >> -M 82 0D 58 5,-3.6 4,-3.0 -2,-0.3 5,-0.5 -0.837 13.4-171.2-110.6 97.6 64.7 9.8 82.1 78 96 E S T 45S+ 0 0 88 -2,-0.8 -1,-0.2 1,-0.3 5,-0.0 0.750 89.7 54.6 -57.9 -25.0 61.6 7.9 81.2 79 97 E N T 45S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.864 125.4 20.0 -81.1 -33.4 61.7 6.5 84.8 80 98 E T T 45S- 0 0 55 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.476 92.9-130.1-112.4 7.9 61.8 9.8 86.5 81 99 E L T ><5 + 0 0 7 -4,-3.0 3,-0.7 1,-0.3 -3,-0.2 0.459 55.7 154.1 60.9 2.0 60.5 12.1 83.8 82 100 E N B 3 < +M 77 0D 28 -5,-0.5 -5,-3.6 1,-0.2 -1,-0.3 -0.359 62.5 20.1 -66.6 144.7 63.5 14.2 84.6 83 101 E N T 3 S+ 0 0 14 -7,-0.2 2,-2.0 76,-0.2 -10,-0.2 0.902 78.2 179.0 61.0 54.5 64.6 16.3 81.6 84 102 E D < + 0 0 1 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.586 32.6 121.5 -81.4 74.0 61.2 16.0 79.9 85 103 E I + 0 0 0 -2,-2.0 -12,-2.4 -47,-0.2 2,-0.3 -0.971 31.3 172.4-144.7 139.4 62.0 18.1 76.9 86 104 E M E -JL 37 72C 0 -49,-1.2 -49,-1.7 -2,-0.3 2,-0.4 -0.920 20.5-143.7-138.2 145.3 61.8 17.3 73.2 87 105 E L E -JL 36 71C 0 -16,-2.1 -16,-2.4 -2,-0.3 2,-0.5 -0.976 14.0-156.4-124.2 130.5 62.3 19.7 70.2 88 106 E I E -JL 35 70C 0 -53,-4.0 -53,-2.3 -2,-0.4 2,-0.6 -0.953 3.0-150.3-117.2 128.7 60.2 19.1 67.0 89 107 E K E -JL 34 69C 31 -20,-3.5 -21,-3.8 -2,-0.5 -20,-1.3 -0.879 13.8-136.2-101.4 119.8 61.2 20.3 63.5 90 108 E L E - 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