==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 26-OCT-81 2PTN . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.WALTER,W.STEIGEMANN,T.P.SINGH,H.BARTUNIK,W.BODE,R.HUBER . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 63.7 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 . 72 32.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1.8 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 . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 . 4 1 3 5 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 0 0 0 0 1 0 1 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 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.9 -8.2 8.8 19.2 2 17 A V B +A 171 0A 11 169,-3.0 169,-1.8 1,-0.2 123,-0.1 -0.870 360.0 5.5-101.2 135.1 -10.4 9.4 16.2 3 18 A G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.774 102.2 116.9 72.0 26.3 -12.0 6.6 14.3 4 19 A G - 0 0 37 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.113 58.4-110.8-106.1-156.8 -10.9 3.9 16.7 5 20 A Y E -B 137 0B 101 132,-2.3 132,-3.2 -2,-0.1 2,-0.5 -0.920 36.0 -87.1-137.1 161.5 -12.7 1.4 19.0 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.637 35.7-151.3 -76.5 113.6 -13.0 0.9 22.8 7 22 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.822 35.0-117.7 -51.6 -47.6 -10.0 -1.2 23.8 8 23 A G > - 0 0 25 127,-0.5 3,-1.7 4,-0.0 4,-0.3 0.020 45.2 -52.7 105.8 144.0 -11.7 -2.9 26.7 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.349 118.5 -12.0 -54.8 125.1 -10.6 -2.6 30.4 10 25 A N T 3 S+ 0 0 24 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.603 91.6 126.6 59.4 24.5 -7.0 -3.4 31.0 11 26 A T S < S+ 0 0 82 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.606 74.9 48.4 -80.8 -12.4 -6.5 -4.8 27.6 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.7 87,-0.1 -1,-0.2 -0.833 74.7 177.2-121.7 71.8 -3.5 -2.5 27.1 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-0.9 0, 0.0 38,-0.3 0.612 72.9 55.2 -64.3 -16.7 -1.7 -3.2 30.4 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.427 79.6 116.2 -93.1 -5.7 1.3 -0.9 29.7 15 30 A Q E < -J 28 0C 5 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.554 46.4-168.3 -73.6 126.8 -0.8 2.2 29.1 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.1 -2,-0.3 2,-0.5 -0.884 15.1-145.6-109.7 148.3 -0.3 5.0 31.6 17 32 A S E -JK 26 49C 1 32,-2.6 32,-3.0 -2,-0.4 2,-0.5 -0.950 13.8-143.5-109.1 133.4 -2.2 8.2 32.3 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.4 -2,-0.5 7,-1.0 -0.829 24.1-168.5 -96.0 119.5 -0.2 11.2 33.4 19 34 A N E +JK 23 47C 21 28,-2.5 28,-3.2 -2,-0.5 4,-0.2 -0.977 31.1 164.3-118.6 131.7 -2.3 13.2 35.9 20 37 A S S S- 0 0 33 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.336 97.5 -47.8-132.0 42.0 -1.7 16.7 37.3 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.150 139.8 29.6 105.3 -12.8 -5.2 17.1 38.8 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.4 0, 0.0 2,-0.4 -0.954 101.0 -82.1-164.9 158.6 -6.4 15.9 35.4 23 40 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.605 51.5 156.1 -70.2 122.8 -5.4 13.6 32.6 24 41 A F E + 0 0 30 -6,-2.4 2,-0.3 1,-0.4 153,-0.2 0.644 59.1 2.1-120.5 -27.5 -3.0 15.6 30.3 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.986 61.7-121.0-153.8 163.8 -0.9 12.9 28.5 26 43 A G E +J 17 0C 1 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.330 28.2 176.9 -93.7-176.9 -0.4 9.2 28.0 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 10,-0.1 2,-0.4 -0.949 24.4-112.4-172.2 175.9 2.7 7.1 28.6 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.9 -2,-0.3 2,-0.5 -0.995 18.6-132.1-128.5 132.6 4.2 3.6 28.6 29 46 A L E + L 0 35C 1 -15,-2.5 74,-2.8 -2,-0.4 6,-0.2 -0.658 27.4 172.1 -81.2 113.8 5.3 1.4 31.4 30 47 A I E - 0 0 20 4,-2.5 2,-0.3 -2,-0.5 75,-0.2 0.624 67.6 -10.9-106.0 -10.0 8.7 0.0 30.5 31 48 A N E > S- L 0 34C 50 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.913 88.7 -75.8-169.3 179.5 9.5 -1.5 33.8 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.700 128.9 25.1 -60.2 -19.1 8.3 -1.5 37.4 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.411 110.3 74.9-122.5 -1.8 9.7 1.9 38.1 34 51 A W E < -LM 31 89C 8 -3,-0.7 -4,-2.5 55,-0.2 -3,-1.3 -0.972 47.1-172.6-129.2 137.1 10.0 3.7 34.8 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.960 12.9-148.8-119.8 136.0 7.6 5.4 32.3 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.2 -0.883 30.8 148.8-108.4 129.5 8.3 6.7 28.8 37 54 A S E - M 0 86C 0 49,-3.0 49,-2.6 -2,-0.4 2,-0.3 -0.798 49.0 -68.7-136.2-170.1 6.4 9.7 27.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.706 33.2-133.1 -90.3 136.3 6.8 12.7 25.1 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.833 106.3 65.0 -58.7 -30.8 9.1 15.5 26.1 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.649 92.0 65.1 -69.7 -5.1 6.3 18.0 25.2 41 58 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.269 73.4 138.2 -90.1 0.4 4.3 16.5 28.0 42 59 A Y < + 0 0 138 -3,-2.0 2,-0.3 -5,-0.0 -3,-0.0 -0.421 19.9 149.5 -57.6 127.9 6.8 17.7 30.6 43 60 A K - 0 0 72 -2,-0.2 3,-0.4 0, 0.0 2,-0.3 -0.964 44.1-114.4-142.2 160.3 5.1 19.2 33.7 44 61 A S S S+ 0 0 106 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.682 94.8 33.6 -90.9 151.6 6.0 19.4 37.4 45 62 A G S S+ 0 0 60 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.879 77.5 175.9 71.8 45.5 3.9 17.5 39.9 46 63 A I - 0 0 10 -3,-0.4 21,-2.6 -26,-0.1 2,-0.5 -0.682 17.5-163.7 -80.1 132.2 3.1 14.4 37.8 47 64 A Q E -KN 19 66C 49 -28,-3.2 -28,-2.5 -2,-0.5 2,-0.5 -0.944 16.5-140.3-108.1 124.2 1.1 11.5 39.2 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.720 12.3-156.8 -87.3 126.0 1.4 8.4 37.2 49 66 A R E -KN 17 64C 52 -32,-3.0 -32,-2.6 -2,-0.5 3,-0.3 -0.938 13.8-177.5-110.0 110.8 -1.9 6.4 36.9 50 67 A L E + N 0 63C 2 13,-3.2 13,-1.8 -2,-0.6 -34,-0.1 -0.672 60.4 28.8 -98.7 161.2 -1.6 2.7 36.1 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.684 84.5 155.4 67.2 19.9 -4.3 0.1 35.6 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.579 22.0 148.7 -80.8 148.6 -6.8 2.6 34.3 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 -1,-0.1 0.361 81.2 32.8-127.5 -74.9 -9.7 2.2 32.0 54 72 A N S > S- 0 0 29 80,-0.2 3,-0.7 1,-0.2 -1,-0.4 -0.650 71.6-163.1 -80.3 109.2 -12.3 4.8 33.0 55 73 A I T 3 S+ 0 0 31 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.535 86.8 52.7 -72.6 -6.3 -10.2 7.7 34.2 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.509 106.9 55.8-105.1 -10.2 -13.1 9.3 36.0 57 75 A V S < S- 0 0 75 -3,-0.7 2,-0.7 76,-0.2 -4,-0.3 -0.984 77.5-126.9-129.9 136.5 -14.1 6.2 38.1 58 76 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.727 34.0 170.9 -78.3 106.1 -12.2 4.0 40.5 59 77 A E - 0 0 95 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.528 51.5-100.4-101.9 -10.2 -12.8 0.5 39.1 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.367 103.2 77.5 118.9 -15.5 -10.4 -1.5 41.2 61 79 A N + 0 0 46 -10,-0.3 2,-0.2 38,-0.0 -9,-0.1 0.288 66.5 123.7-108.8 6.6 -7.3 -2.1 39.2 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.458 38.6-169.6 -71.8 147.2 -5.6 1.3 39.6 63 81 A Q E -N 50 0C 38 -13,-1.8 -13,-3.2 -2,-0.2 2,-0.6 -0.993 7.7-163.6-129.9 118.9 -2.2 2.1 41.0 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.929 17.7 167.4-107.6 110.7 -1.5 5.9 41.6 65 83 A I E -N 48 0C 20 -17,-2.8 -17,-2.9 -2,-0.6 2,-0.1 -0.994 28.6-129.8-128.9 127.0 2.2 6.6 42.0 66 84 A S E -N 47 0C 46 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.367 29.6-106.7 -71.2 152.3 3.9 10.0 42.0 67 85 A A E -O 90 0C 23 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.612 24.5-170.4 -78.3 134.7 7.0 10.8 39.9 68 86 A S E S+ 0 0 75 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.733 73.6 3.6 -84.9 -40.9 10.3 11.0 41.7 69 87 A K E -O 89 0C 64 20,-1.4 20,-2.6 2,-0.0 2,-0.4 -0.990 58.2-156.3-153.4 141.1 12.2 12.3 38.8 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.988 8.4-167.6-126.4 133.7 11.6 13.4 35.2 71 89 A I E -O 87 0C 36 16,-3.2 16,-2.6 -2,-0.4 2,-0.3 -0.914 4.9-160.0-125.3 107.3 14.3 13.4 32.5 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.620 41.9 -89.6 -83.1 139.5 13.7 15.2 29.2 73 91 A H > - 0 0 25 12,-2.2 3,-2.1 10,-0.3 -1,-0.1 -0.247 35.2-124.0 -49.1 129.7 16.0 14.1 26.3 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.677 108.8 43.7 -52.5 -25.7 19.1 16.2 26.3 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.159 77.3 145.6-111.5 19.7 18.5 17.3 22.6 76 94 A Y < - 0 0 58 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.366 30.6-163.4 -60.1 125.1 14.8 17.9 22.8 77 95 A N B >> -P 82 0D 66 5,-2.4 4,-2.4 -2,-0.2 5,-0.5 -0.937 6.9-166.2-113.0 105.5 13.8 20.8 20.5 78 96 A S T 45S+ 0 0 75 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.646 86.2 54.7 -67.4 -18.3 10.4 22.2 21.4 79 97 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.873 123.3 24.2 -82.0 -37.4 10.1 24.2 18.1 80 98 A T T 45S- 0 0 71 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.544 95.9-131.8 -99.2 -14.7 10.7 21.2 15.8 81 99 A L T ><5 + 0 0 34 -4,-2.4 3,-0.9 1,-0.3 -3,-0.2 0.537 50.7 157.5 63.1 17.6 9.6 18.4 18.2 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-2.4 1,-0.2 -1,-0.3 -0.469 65.7 14.8 -69.9 135.7 12.8 16.6 17.3 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.865 80.2 178.3 65.3 40.6 13.8 14.1 20.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.520 33.5 116.0 -76.3 71.6 10.3 14.3 21.6 85 103 A I - 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