==== 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 29-MAY-00 1F2S . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Y.ZHU,Q.HUANG,M.QIAN,Y.JIA,Y.TANG . 251 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 62.5 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 . 80 31.9 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 . 5 2.0 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 . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.0 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 0 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 4 1 6 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 . 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 16 E I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.2 17.3 14.3 5.4 2 17 E V B +A 171 0A 9 169,-3.0 169,-1.6 1,-0.2 123,-0.1 -0.864 360.0 5.9-104.0 134.6 16.5 17.7 4.0 3 18 E G S S+ 0 0 47 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.734 102.6 122.0 70.0 26.1 19.3 20.4 3.8 4 19 E G - 0 0 38 -3,-0.4 2,-0.2 120,-0.1 134,-0.2 -0.160 54.4-120.3-104.8-162.3 22.0 18.1 5.1 5 20 E Y E -B 137 0B 92 132,-2.4 132,-3.1 -3,-0.1 2,-0.5 -0.759 36.8 -83.1-132.1 177.6 25.4 16.8 3.9 6 21 E T E -B 136 0B 70 130,-0.2 130,-0.2 -2,-0.2 129,-0.1 -0.770 29.6-149.0 -91.3 127.2 26.9 13.3 3.2 7 22 E a - 0 0 19 128,-1.7 -1,-0.1 -2,-0.5 129,-0.1 0.920 38.3-116.0 -59.4 -50.6 28.1 11.5 6.3 8 23 E G > - 0 0 28 127,-0.5 3,-1.9 4,-0.1 4,-0.3 0.010 48.4 -53.7 114.4 135.3 31.0 9.6 4.6 9 24 E A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.126 119.1 -14.1 -46.6 119.5 31.2 5.8 4.3 10 25 E N T 3 S+ 0 0 26 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.671 90.8 127.0 59.9 26.6 30.8 4.1 7.7 11 26 E T S < S+ 0 0 87 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.531 76.6 49.8 -85.7 -8.9 31.3 7.2 9.8 12 27 E V S > S+ 0 0 7 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.671 74.5 173.6-126.5 72.7 28.0 6.5 11.6 13 28 E P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.588 71.2 58.4 -59.4 -16.5 28.7 2.8 12.4 14 29 E Y T 3 S+ 0 0 22 86,-0.2 15,-2.5 88,-0.1 2,-0.2 0.549 80.4 108.2 -92.9 -9.2 25.6 2.3 14.6 15 30 E Q E < -K 28 0C 6 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.503 47.0-179.8 -71.9 130.1 23.2 3.2 11.8 16 31 E V E -KL 27 50C 1 11,-1.9 11,-1.2 -2,-0.2 2,-0.4 -0.877 22.3-132.0-127.3 164.0 21.2 0.3 10.3 17 32 E S E -KL 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.949 11.5-143.9-117.6 132.9 18.7 -0.0 7.6 18 33 E L E -KL 25 48C 0 7,-3.0 6,-1.9 -2,-0.4 7,-1.0 -0.903 26.4-168.3 -96.1 126.4 15.4 -1.9 8.1 19 34 E N E +KL 23 47C 15 28,-2.6 28,-2.0 -2,-0.6 4,-0.2 -0.965 30.8 169.8-125.8 128.8 14.6 -3.7 4.8 20 37 E S S S- 0 0 33 2,-2.6 3,-0.1 -2,-0.4 26,-0.1 -0.425 96.7 -49.0-127.0 54.3 11.4 -5.4 3.6 21 38 E G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.114 140.8 31.3 97.2 -16.1 12.4 -5.8 0.0 22 39 E Y S S- 0 0 97 -4,-0.0 -2,-2.6 0, 0.0 2,-0.3 -0.959 100.6 -86.3-162.4 159.4 13.3 -2.1 0.2 23 40 E H E +K 19 0C 25 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.588 51.5 153.8 -74.1 130.3 14.6 0.3 2.8 24 41 E F E + 0 0 0 -6,-1.9 207,-2.3 1,-0.5 2,-0.3 0.563 61.6 12.5-130.5 -22.2 11.6 1.8 4.7 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-3.0 205,-0.2 -1,-0.5 -0.959 63.0-132.2-152.5 160.9 13.1 2.8 8.1 26 43 E G E -K 17 0C 1 151,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.435 23.1-177.0-104.4-174.8 16.4 3.3 9.9 27 44 E G E -K 16 0C 0 -11,-1.2 -11,-1.9 -2,-0.2 2,-0.4 -0.965 23.1-113.5-170.7 174.2 17.5 2.1 13.3 28 45 E S E -KM 15 36C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.5 -0.991 21.0-132.5-129.2 128.5 20.4 2.1 15.8 29 46 E L E + M 0 35C 0 -15,-2.5 74,-2.2 -2,-0.4 6,-0.2 -0.663 26.2 174.0 -77.5 122.7 22.6 -0.9 16.9 30 47 E I E - 0 0 18 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.650 66.9 -11.4-103.3 -21.4 22.8 -0.9 20.7 31 48 E N E > S- M 0 34C 46 3,-1.3 3,-1.1 70,-0.1 -1,-0.4 -0.940 89.0 -76.5-163.8 171.6 24.7 -4.2 21.1 32 49 E S T 3 S+ 0 0 37 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.684 129.2 29.6 -52.5 -22.4 25.7 -7.2 19.0 33 50 E Q T 3 S+ 0 0 82 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.461 110.4 70.5-118.4 -1.8 22.2 -8.6 19.1 34 51 E W E < -MN 31 89C 5 -3,-1.1 -4,-2.6 55,-0.2 -3,-1.3 -0.959 45.4-175.9-130.9 142.6 19.8 -5.7 19.4 35 52 E V E -MN 29 88C 0 53,-2.5 53,-3.1 -2,-0.4 2,-0.4 -0.954 15.2-147.5-127.9 140.0 18.6 -2.7 17.4 36 53 E V E +MN 28 87C 1 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.930 32.1 146.1-109.5 133.6 16.3 0.1 18.5 37 54 E S E - N 0 86C 0 49,-2.6 49,-2.7 -2,-0.4 2,-0.3 -0.782 50.3 -64.5-146.2-171.3 13.9 1.8 16.1 38 55 E A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.627 34.7-130.5 -87.8 145.7 10.4 3.3 16.0 39 56 E A G > S+ 0 0 3 1,-0.3 3,-1.7 -2,-0.3 -1,-0.1 0.826 106.5 62.7 -63.3 -32.8 7.2 1.3 16.8 40 57 E H G 3 S+ 0 0 7 1,-0.3 -1,-0.3 41,-0.1 190,-0.0 0.550 92.5 68.0 -70.7 -5.8 5.4 2.5 13.7 41 58 E b G < S+ 0 0 0 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.366 72.7 133.9 -91.3 1.9 8.2 0.8 11.7 42 59 E Y < + 0 0 121 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.293 20.7 150.3 -58.4 136.5 6.9 -2.6 12.8 43 60 E K - 0 0 53 -2,-0.0 3,-0.4 3,-0.0 2,-0.3 -0.950 45.0-111.2-159.9 150.4 6.6 -5.2 10.0 44 61 E S S S+ 0 0 100 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.665 97.9 26.6 -87.7 147.5 6.9 -9.0 10.1 45 62 E G S S+ 0 0 74 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.913 80.0 175.0 70.2 45.6 9.9 -10.5 8.3 46 63 E I - 0 0 3 -3,-0.4 21,-2.7 21,-0.1 2,-0.5 -0.594 19.2-153.7 -85.0 142.3 12.3 -7.6 8.6 47 64 E Q E -LO 19 66C 55 -28,-2.0 -28,-2.6 -2,-0.2 2,-0.4 -0.983 10.3-145.8-116.9 125.6 15.9 -7.9 7.5 48 65 E V E -LO 18 65C 0 17,-3.1 17,-2.5 -2,-0.5 2,-0.5 -0.791 8.7-159.2 -95.0 131.1 18.4 -5.6 9.2 49 66 E R E -LO 17 64C 53 -32,-2.7 -32,-2.1 -2,-0.4 3,-0.3 -0.951 12.4-175.6-114.8 117.9 21.3 -4.3 7.1 50 67 E L E +LO 16 63C 2 13,-3.1 13,-1.7 -2,-0.5 -34,-0.1 -0.747 59.9 30.0-110.5 160.6 24.4 -3.1 8.9 51 69 E G S S+ 0 0 7 -36,-0.5 2,-0.2 -38,-0.3 10,-0.2 0.775 85.2 151.3 65.1 30.8 27.6 -1.5 7.7 52 70 E E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.594 22.5 149.9 -96.1 151.1 25.9 0.2 4.8 53 71 E D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.262 79.2 37.0-134.2 -75.7 26.6 3.4 3.0 54 72 E N S S- 0 0 22 80,-0.2 -1,-0.4 1,-0.2 80,-0.2 -0.736 71.2-165.2 -84.7 109.6 25.4 3.0 -0.6 55 73 E I S S+ 0 0 39 78,-2.3 -1,-0.2 -2,-0.8 79,-0.1 0.660 84.9 49.9 -71.4 -17.2 22.2 0.9 -0.2 56 74 E N S S+ 0 0 128 77,-0.3 2,-0.3 -3,-0.0 -1,-0.2 0.839 106.1 61.6 -87.5 -37.9 22.0 0.0 -3.9 57 75 E V S S- 0 0 75 76,-0.2 2,-0.6 2,-0.0 -4,-0.3 -0.699 78.1-130.5 -97.6 140.1 25.6 -1.1 -4.2 58 76 E V + 0 0 116 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.795 30.0 172.0 -84.9 122.4 27.4 -4.0 -2.4 59 77 E E - 0 0 96 -2,-0.6 -1,-0.1 -5,-0.1 -7,-0.0 0.377 49.2-106.9-115.5 1.0 30.6 -2.6 -1.0 60 78 E G S S+ 0 0 61 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.202 101.5 82.4 95.8 -15.1 31.9 -5.5 1.1 61 79 E N + 0 0 66 -10,-0.2 38,-0.1 38,-0.0 -9,-0.1 0.413 65.6 116.2-103.7 5.0 31.3 -4.2 4.6 62 80 E E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.294 43.1-166.9 -77.2 154.9 27.6 -5.1 4.8 63 81 E Q E -O 50 0C 37 -13,-1.7 -13,-3.1 2,-0.1 2,-0.6 -0.974 4.6-165.1-140.7 117.0 26.0 -7.6 7.2 64 82 E F E +O 49 0C 89 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.957 16.6 168.3-109.3 115.4 22.4 -8.7 6.5 65 83 E I E -O 48 0C 17 -17,-2.5 -17,-3.1 -2,-0.6 2,-0.1 -0.986 31.7-122.8-129.6 135.9 20.7 -10.4 9.4 66 84 E S E -O 47 0C 59 -2,-0.4 25,-2.6 -19,-0.3 2,-0.4 -0.421 30.5-109.6 -73.9 152.5 17.0 -11.3 9.8 67 85 E A E -P 90 0C 21 -21,-2.7 23,-0.3 23,-0.2 -22,-0.1 -0.709 25.6-166.6 -82.4 131.9 15.1 -9.9 12.7 68 86 E S E - 0 0 57 21,-3.3 2,-0.3 -2,-0.4 22,-0.2 0.791 69.7 -5.9 -88.1 -34.5 14.2 -12.8 15.1 69 87 E K E -P 89 0C 76 20,-1.3 20,-3.0 2,-0.0 2,-0.5 -0.971 56.7-148.3-160.6 148.2 11.7 -10.8 17.2 70 88 E S E -P 88 0C 30 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.977 9.2-160.1-124.2 120.3 10.3 -7.3 17.5 71 89 E I E -P 87 0C 45 16,-3.2 16,-2.4 -2,-0.5 2,-0.3 -0.880 7.6-160.2-104.0 112.3 9.1 -5.9 20.9 72 90 E V E -P 86 0C 49 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.673 36.7 -93.7 -87.7 142.6 6.8 -2.9 20.6 73 91 E H > - 0 0 25 12,-1.8 3,-2.3 -2,-0.3 -1,-0.1 -0.368 31.9-124.8 -58.8 133.5 6.5 -0.7 23.7 74 92 E P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.725 108.9 41.4 -48.8 -32.6 3.5 -1.8 25.8 75 93 E S T 3 S+ 0 0 70 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.152 79.6 140.3-107.1 19.1 2.0 1.7 25.7 76 94 E Y < - 0 0 53 -3,-2.3 2,-0.6 9,-0.1 7,-0.2 -0.399 36.0-158.7 -63.8 134.4 2.6 2.6 22.1 77 95 E N B >> -Q 82 0D 60 5,-2.1 4,-2.5 1,-0.1 5,-0.5 -0.943 9.8-162.5-120.1 110.3 -0.3 4.5 20.6 78 96 E S T 45S+ 0 0 71 -2,-0.6 164,-0.1 1,-0.2 -1,-0.1 0.675 89.5 53.2 -65.0 -16.9 -0.5 4.4 16.8 79 97 E N T 45S+ 0 0 121 1,-0.1 -1,-0.2 163,-0.1 164,-0.1 0.835 124.5 21.8 -85.9 -38.6 -2.9 7.4 16.7 80 98 E T T 45S- 0 0 55 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.531 96.4-130.4-104.0 -12.9 -0.8 9.8 18.8 81 99 E L T ><5 + 0 0 3 -4,-2.5 3,-0.8 1,-0.2 2,-0.2 0.672 49.5 160.9 66.7 21.9 2.6 8.1 18.2 82 100 E N B 3 < +Q 77 0D 37 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.2 -0.512 65.1 14.8 -74.1 137.9 3.2 8.3 22.0 83 101 E N T 3 S+ 0 0 16 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.903 80.9 178.3 62.7 44.4 5.9 5.8 23.2 84 102 E D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.523 32.8 114.7 -81.3 77.2 7.0 5.3 19.6 85 103 E I + 0 0 0 -2,-1.9 -12,-1.8 -47,-0.3 2,-0.3 -0.993 36.6 179.5-147.4 146.2 9.9 2.9 20.3 86 104 E M E -NP 37 72C 0 -49,-2.7 -49,-2.6 -2,-0.3 2,-0.4 -0.992 18.0-140.8-149.7 148.8 10.6 -0.7 19.4 87 105 E L E -NP 36 71C 0 -16,-2.4 -16,-3.2 -2,-0.3 2,-0.5 -0.942 12.6-162.3-115.4 133.5 13.4 -3.2 20.0 88 106 E I E -NP 35 70C 0 -53,-3.1 -53,-2.5 -2,-0.4 2,-0.4 -0.969 6.5-152.2-119.5 123.6 14.5 -5.7 17.4 89 107 E K E -NP 34 69C 40 -20,-3.0 -21,-3.3 -2,-0.5 -20,-1.3 -0.813 20.1-128.2 -94.3 134.9 16.5 -8.8 18.3 90 108 E L E - 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