==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/PROTEIN BINDING 02-JUL-04 1TX6 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR H.K.SONG,E.Y.PARK,J.A.KIM,H.W.KIM,Y.S.KIM . 1116 10 44 36 8 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 353 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 111 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 5.1 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 0 0 0 4 0 3 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 . 4 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 . 24 14 16 21 8 4 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 3 0 0 0 4 0 0 0 0 4 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,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.9 13.6 14.7 30.7 2 17 A V B +A 171 0A 8 169,-3.1 169,-1.4 1,-0.2 123,-0.1 -0.871 360.0 4.9-103.1 130.4 15.5 14.8 27.4 3 18 A G S S+ 0 0 38 121,-0.7 -1,-0.2 -2,-0.5 2,-0.1 0.789 104.4 114.2 72.2 28.4 17.6 17.8 26.5 4 19 A G - 0 0 31 -3,-0.4 2,-0.3 120,-0.1 134,-0.2 -0.147 59.4-110.4-109.1-153.5 17.0 19.5 29.9 5 20 A Y E -B 137 0B 104 132,-2.6 132,-3.8 -2,-0.1 2,-0.4 -0.975 31.5 -88.9-145.3 158.3 19.3 20.4 32.8 6 21 A T E -B 136 0B 77 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.524 46.9-130.5 -68.2 116.7 19.9 19.4 36.4 7 22 A a - 0 0 2 128,-2.2 2,-0.1 -2,-0.4 3,-0.1 -0.377 30.2 -96.2 -67.8 148.0 17.6 21.5 38.6 8 23 A A > - 0 0 67 1,-0.2 3,-2.8 2,-0.1 4,-0.2 -0.466 62.3 -80.4 -64.0 133.8 19.2 23.2 41.6 9 24 A A T 3 S- 0 0 56 1,-0.3 -1,-0.2 -2,-0.1 44,-0.1 -0.077 111.6 -5.7 -41.1 121.2 18.7 20.9 44.6 10 25 A N T 3 S+ 0 0 35 42,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.611 91.0 126.7 65.2 17.7 15.2 21.4 46.0 11 26 A S S < S+ 0 0 62 -3,-2.8 -2,-0.1 1,-0.3 -1,-0.1 0.496 73.8 53.6 -81.7 -0.9 14.4 24.3 43.6 12 27 A I S > S+ 0 0 10 -4,-0.2 3,-2.5 87,-0.1 -1,-0.3 -0.533 71.1 169.6-127.8 61.0 11.2 22.4 42.6 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.521 72.0 56.9 -52.9 -13.5 9.8 21.8 46.1 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.520 82.4 106.3 -97.4 -7.6 6.4 20.5 44.9 15 30 A Q E < -M 28 0C 5 -3,-2.5 37,-0.5 13,-0.2 36,-0.4 -0.560 49.8-177.5 -74.3 127.0 8.0 17.7 42.8 16 31 A V E -M 27 0C 1 11,-2.4 11,-1.3 -2,-0.3 2,-0.4 -0.889 21.9-132.1-125.2 158.9 7.6 14.3 44.4 17 32 A S E -MN 26 49C 2 32,-2.2 32,-2.7 -2,-0.3 2,-0.6 -0.929 13.4-143.3-109.7 132.4 8.8 10.8 43.5 18 33 A L E -MN 25 48C 0 7,-2.9 6,-2.3 -2,-0.4 7,-1.1 -0.867 28.0-179.2 -96.2 119.3 6.3 7.8 43.4 19 34 A N E +MN 23 47C 13 28,-2.8 28,-2.2 -2,-0.6 4,-0.2 -0.966 30.8 164.6-128.2 135.9 8.1 4.7 44.7 20 37 A S S S- 0 0 61 2,-1.5 3,-0.1 -2,-0.4 -1,-0.1 -0.091 99.9 -36.6-133.6 29.5 7.0 1.1 45.2 21 38 A G S S+ 0 0 69 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 -0.223 139.4 15.1 139.8 -37.9 10.5 -0.4 45.5 22 39 A S S S- 0 0 78 -4,-0.1 -2,-1.5 0, 0.0 2,-0.3 -0.934 100.2 -72.1-151.8 168.5 12.0 2.0 43.0 23 40 A H E +M 19 0C 19 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.507 54.0 153.0 -68.6 129.0 11.1 5.2 41.2 24 41 A F E + 0 0 6 -6,-2.3 887,-1.6 1,-0.4 2,-0.3 0.573 60.7 6.3-130.2 -20.2 8.4 4.7 38.6 25 42 A b E -M 18 0C 0 -7,-1.1 -7,-2.9 885,-0.2 -1,-0.4 -0.967 62.1-122.5-156.1 168.3 6.5 8.0 38.3 26 43 A G E -M 17 0C 1 151,-3.8 12,-0.4 -2,-0.3 2,-0.3 -0.524 25.5-177.3-107.0 179.0 6.5 11.6 39.3 27 44 A G E -M 16 0C 0 -11,-1.3 -11,-2.4 -2,-0.2 2,-0.4 -0.973 21.3-119.4-167.1 169.1 3.8 13.6 41.1 28 45 A S E -MO 15 36C 0 8,-2.8 8,-2.9 -2,-0.3 2,-0.6 -0.986 16.7-135.1-128.1 132.4 2.9 17.1 42.4 29 46 A L E + O 0 35C 0 -15,-2.3 74,-1.9 -2,-0.4 6,-0.2 -0.725 34.9 159.1 -82.8 120.0 2.2 18.2 45.9 30 47 A I + 0 0 22 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.454 67.8 20.8-120.0 -6.9 -0.8 20.5 45.8 31 48 A N S S- 0 0 58 3,-1.5 3,-0.4 70,-0.1 -1,-0.4 -0.960 85.9-105.0-156.1 154.9 -1.9 20.1 49.4 32 49 A S S S+ 0 0 41 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.697 126.1 25.6 -61.0 -16.9 -0.1 19.1 52.6 33 50 A Q S S+ 0 0 48 60,-0.2 57,-3.2 1,-0.1 2,-0.4 0.390 114.9 75.6-124.1 -0.9 -2.0 15.8 52.4 34 51 A W E - P 0 89C 8 -3,-0.4 -4,-2.3 55,-0.2 -3,-1.5 -0.954 47.6-177.2-126.5 134.2 -2.7 15.6 48.6 35 52 A V E -OP 29 88C 0 53,-2.5 53,-3.4 -2,-0.4 2,-0.4 -0.928 14.6-149.8-120.8 142.3 -0.6 14.7 45.6 36 53 A V E +OP 28 87C 0 -8,-2.9 -8,-2.8 -2,-0.4 51,-0.2 -0.936 30.5 146.4-114.3 138.1 -1.8 14.8 42.0 37 54 A S E - P 0 86C 0 49,-2.8 49,-2.2 -2,-0.4 2,-0.4 -0.745 51.0 -60.4-148.9-166.3 -0.3 12.5 39.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.737 36.3-134.0 -92.4 138.2 -1.2 10.5 36.3 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.852 104.5 62.4 -58.2 -35.4 -3.9 7.9 36.5 40 57 A H G 3 S+ 0 0 19 1,-0.3 -1,-0.3 37,-0.1 870,-0.1 0.588 90.9 68.4 -69.3 -7.1 -1.8 5.4 34.6 41 58 A b G < S+ 0 0 3 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.408 76.0 138.3 -87.8 0.1 0.8 5.5 37.4 42 59 A Y < + 0 0 115 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.097 21.5 163.5 -51.1 142.5 -1.7 3.8 39.6 43 60 A K - 0 0 72 3,-0.0 3,-0.1 1,-0.0 -2,-0.0 -0.936 46.1-120.6-154.3 148.2 -0.5 1.0 41.9 44 61 A S S S+ 0 0 76 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.718 105.0 36.0 -69.3 -19.8 -2.3 -0.4 45.0 45 62 A R S S+ 0 0 195 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.979 72.2 169.5-136.5 122.7 0.6 0.6 47.2 46 63 A I - 0 0 6 -2,-0.4 21,-2.7 21,-0.2 2,-0.5 -0.993 20.4-155.0-135.7 139.7 2.6 3.8 46.7 47 64 A Q E -NQ 19 66C 47 -28,-2.2 -28,-2.8 -2,-0.4 2,-0.5 -0.967 16.0-145.6-114.1 124.4 5.2 5.6 48.8 48 65 A V E -NQ 18 65C 0 17,-3.1 17,-2.9 -2,-0.5 2,-0.6 -0.781 8.8-161.4 -91.6 126.4 5.5 9.3 48.2 49 66 A R E -NQ 17 64C 44 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.934 13.7-175.3-110.9 112.3 9.1 10.7 48.6 50 67 A L E + Q 0 63C 1 13,-2.7 13,-2.1 -2,-0.6 -34,-0.1 -0.649 61.3 31.1-103.7 162.3 9.1 14.5 49.1 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 48,-0.3 -1,-0.2 0.832 85.4 156.2 61.8 32.2 12.1 16.8 49.3 52 70 A E + 0 0 12 -37,-0.5 -42,-0.3 -3,-0.3 -1,-0.2 -0.627 20.4 151.5 -92.3 151.0 14.0 14.6 47.0 53 71 A H S S+ 0 0 22 -2,-0.2 82,-1.4 4,-0.2 2,-0.8 0.432 78.2 30.6-134.9 -64.1 17.0 15.6 44.8 54 72 A N B > -S 134 0D 24 3,-0.3 3,-1.9 80,-0.2 80,-0.2 -0.877 69.2-164.5-103.1 97.1 19.2 12.5 44.3 55 73 A I T 3 S+ 0 0 35 78,-2.0 -1,-0.1 -2,-0.8 79,-0.1 0.590 86.2 54.5 -60.7 -8.7 16.8 9.6 44.4 56 74 A D T 3 S+ 0 0 109 77,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.478 103.6 57.3-103.8 -2.4 19.8 7.2 44.9 57 75 A V S < S- 0 0 75 -3,-1.9 2,-0.4 76,-0.2 -3,-0.3 -0.971 78.6-126.0-136.8 123.8 21.4 8.9 47.9 58 76 A L + 0 0 144 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.480 36.2 167.3 -63.7 116.0 20.0 9.6 51.4 59 77 A E - 0 0 101 -2,-0.4 -1,-0.2 -5,-0.1 -7,-0.0 0.547 47.7-111.4-111.4 -10.6 20.6 13.4 51.8 60 78 A G S S+ 0 0 57 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 -0.120 98.2 81.0 111.8 -39.9 18.5 14.3 54.8 61 79 A N + 0 0 65 -10,-0.1 2,-0.2 2,-0.0 -3,-0.0 0.336 67.5 117.6 -85.2 8.5 15.7 16.5 53.5 62 80 A E - 0 0 26 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.462 46.3-161.2 -80.6 149.0 13.6 13.6 52.3 63 81 A Q E -Q 50 0C 37 -13,-2.1 -13,-2.7 -2,-0.2 2,-0.7 -0.992 3.1-159.9-129.3 120.8 10.1 12.7 53.6 64 82 A F E +Q 49 0C 91 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.891 21.3 166.9-103.3 105.7 8.8 9.2 53.0 65 83 A I E -Q 48 0C 10 -17,-2.9 -17,-3.1 -2,-0.7 2,-0.1 -0.984 27.4-132.0-125.3 130.3 5.0 9.2 53.3 66 84 A N E -Q 47 0C 86 -2,-0.4 25,-3.3 -19,-0.2 2,-0.4 -0.450 26.9-103.2 -80.6 149.5 2.7 6.4 52.2 67 85 A A E -R 90 0C 24 -21,-2.7 23,-0.2 23,-0.2 -21,-0.2 -0.558 31.0-178.0 -71.8 121.0 -0.5 6.8 50.2 68 86 A A E S+ 0 0 61 21,-3.6 2,-0.3 -2,-0.4 22,-0.2 0.779 76.0 17.8 -88.1 -31.5 -3.6 6.5 52.4 69 87 A K E -R 89 0C 82 20,-1.6 20,-2.2 2,-0.0 2,-0.5 -0.999 61.8-166.4-141.9 138.4 -6.0 6.9 49.4 70 88 A I E -R 88 0C 35 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.960 12.2-177.9-128.3 112.2 -5.4 6.5 45.7 71 89 A I E -R 87 0C 42 16,-3.0 16,-2.5 -2,-0.5 2,-0.3 -0.909 8.0-163.7-117.8 108.3 -8.2 7.9 43.5 72 90 A T E -R 86 0C 51 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.680 43.3 -88.0 -87.1 142.2 -8.0 7.6 39.8 73 91 A H > - 0 0 17 12,-2.5 3,-2.4 -2,-0.3 -1,-0.1 -0.236 36.0-129.4 -50.1 124.9 -10.3 9.8 37.7 74 92 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.657 106.4 46.4 -52.2 -19.8 -13.6 7.9 37.3 75 93 A N T 3 S+ 0 0 107 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.355 80.0 139.1-106.4 4.4 -13.6 8.5 33.6 76 94 A F < - 0 0 57 -3,-2.4 2,-0.5 7,-0.2 7,-0.2 -0.189 39.7-153.0 -52.0 136.7 -10.0 7.6 32.9 77 95 A N > - 0 0 50 5,-2.0 4,-2.7 1,-0.1 5,-0.4 -0.958 6.3-158.4-118.1 113.2 -9.4 5.5 29.8 78 96 A G T 4 S+ 0 0 28 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.686 92.1 42.7 -62.8 -21.7 -6.4 3.2 29.8 79 97 A N T 4 S+ 0 0 66 3,-0.1 -1,-0.2 1,-0.1 837,-0.1 0.860 126.0 29.1 -93.0 -41.5 -6.2 3.0 26.0 80 98 A T T 4 S- 0 0 30 2,-0.1 -2,-0.2 76,-0.0 77,-0.2 0.671 93.4-138.7 -90.6 -19.9 -6.8 6.6 25.0 81 99 A L >< + 0 0 5 -4,-2.7 3,-0.8 1,-0.3 2,-0.3 0.764 45.3 157.8 65.8 25.0 -5.4 8.0 28.2 82 100 A D T 3 + 0 0 33 -5,-0.4 -5,-2.0 1,-0.3 -1,-0.3 -0.662 67.0 18.4 -80.0 135.4 -8.2 10.5 28.3 83 101 A N T 3 S+ 0 0 16 -2,-0.3 2,-2.0 -7,-0.2 -1,-0.3 0.887 78.5 172.9 70.6 39.5 -8.6 11.8 31.9 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.516 33.1 117.4 -82.0 74.0 -5.2 10.6 32.9 85 103 A I + 0 0 0 -2,-2.0 -12,-2.5 -47,-0.3 2,-0.3 -0.991 35.8 176.9-141.6 146.3 -5.3 12.2 36.4 86 104 A M E -PR 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.995 17.1-142.8-151.8 146.9 -5.1 10.7 39.9 87 105 A L E -PR 36 71C 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.5 -0.940 9.0-161.4-117.3 136.2 -5.1 12.0 43.5 88 106 A I E -PR 35 70C 0 -53,-3.4 -53,-2.5 -2,-0.4 2,-0.6 -0.961 6.4-153.4-119.1 121.9 -3.1 10.5 46.4 89 107 A K E -PR 34 69C 40 -20,-2.2 -21,-3.6 -2,-0.5 -20,-1.6 -0.838 24.3-126.6 -94.1 126.3 -4.0 11.3 50.0 90 108 A L E - 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