==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-03 1V2K . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.RAUH,G.KLEBE,M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 58.3 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 . 69 30.9 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 . 3 1.3 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 1 0 1 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 . 3 2 2 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 T I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 118.5 59.4 62.5 -34.9 2 17 T V B +A 171 0A 10 169,-3.1 169,-1.7 1,-0.2 123,-0.1 -0.860 360.0 3.7-101.4 131.5 61.6 62.7 -31.8 3 18 T G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.5 167,-0.1 0.692 102.8 120.6 72.0 19.6 63.4 59.6 -30.6 4 19 T G - 0 0 31 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.065 55.8-115.1 -97.1-158.3 62.2 57.5 -33.5 5 20 T Y E -B 137 0B 104 132,-2.9 132,-3.6 -3,-0.1 2,-0.5 -0.954 33.7 -84.7-141.4 159.3 64.0 55.6 -36.2 6 21 T T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.508 37.3-153.0 -64.5 116.1 64.5 55.7 -40.0 7 22 T a - 0 0 19 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.938 37.0-112.7 -55.8 -52.2 61.5 53.7 -41.3 8 23 T G > - 0 0 25 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.027 47.7 -53.3 118.7 135.4 63.2 52.6 -44.5 9 24 T A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.082 118.7 -15.2 -42.9 119.8 62.3 53.6 -48.0 10 25 T N T 3 S+ 0 0 22 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.714 89.1 130.4 56.2 28.8 58.6 53.1 -48.8 11 26 T T S < S+ 0 0 86 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.561 75.2 51.3 -84.4 -7.3 57.9 50.8 -45.8 12 27 T V S > S+ 0 0 7 -4,-0.3 3,-1.6 87,-0.1 -1,-0.3 -0.701 72.1 175.7-127.8 74.0 54.9 53.0 -45.0 13 28 T P T 3 S+ 0 0 33 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.598 74.6 54.5 -56.1 -19.7 53.1 53.1 -48.4 14 29 T Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.552 81.2 108.3 -95.1 -9.4 50.1 55.1 -47.2 15 30 T Q E < -J 28 0C 5 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.518 48.8-175.8 -71.3 128.5 52.1 58.0 -45.8 16 31 T V E -J 27 0C 1 11,-2.3 11,-1.1 -2,-0.3 2,-0.4 -0.850 19.7-136.5-123.5 161.3 51.8 61.1 -47.9 17 32 T S E -JK 26 49C 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.5 -0.970 12.9-141.4-118.4 131.9 53.4 64.6 -47.7 18 33 T L E -JK 25 48C 0 7,-3.1 6,-1.9 -2,-0.4 7,-1.0 -0.830 25.4-166.6 -92.4 127.2 51.4 67.7 -48.2 19 34 T N E +JK 23 47C 21 28,-3.1 28,-2.3 -2,-0.5 4,-0.2 -0.948 31.1 165.2-123.8 135.4 53.4 70.3 -50.2 20 37 T S S S- 0 0 31 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.296 96.7 -46.9-135.7 45.3 52.9 74.0 -50.9 21 38 T G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.216 139.0 23.7 105.1 -9.8 56.4 74.8 -52.2 22 39 T Y S S- 0 0 134 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.941 102.4 -76.6-171.7 163.0 57.8 72.8 -49.3 23 40 T H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.558 52.4 153.4 -74.3 135.0 56.7 70.1 -46.9 24 41 T F E + 0 0 25 -6,-1.9 2,-0.3 1,-0.4 151,-0.2 0.541 59.0 9.2-135.5 -19.8 54.4 71.3 -44.2 25 42 T b E -J 18 0C 8 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.990 60.6-123.9-158.9 163.0 52.2 68.4 -43.1 26 43 T G E +J 17 0C 1 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.446 26.3 175.3-102.1 179.4 51.6 64.7 -43.4 27 44 T G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.968 24.6-115.4-170.4 173.4 48.5 62.7 -44.4 28 45 T S E -JL 15 36C 2 8,-2.6 8,-2.7 -2,-0.3 2,-0.7 -0.989 19.1-130.2-129.6 135.3 47.2 59.2 -45.2 29 46 T L E + L 0 35C 1 -15,-2.2 74,-2.3 -2,-0.4 6,-0.2 -0.719 26.9 174.1 -81.8 116.2 46.0 57.7 -48.4 30 47 T I E - 0 0 20 4,-2.2 2,-0.3 -2,-0.7 5,-0.2 0.604 67.7 -13.6 -99.2 -14.4 42.6 56.1 -47.7 31 48 T N E > S- L 0 34C 43 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.941 89.4 -73.5-168.0 177.9 41.8 55.1 -51.4 32 49 T S T 3 S+ 0 0 45 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.676 129.2 26.0 -59.9 -17.1 43.1 55.9 -54.9 33 50 T Q T 3 S+ 0 0 62 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.406 109.7 71.4-127.2 1.7 41.5 59.4 -54.8 34 51 T W E < -LM 31 89C 8 -3,-0.6 -4,-2.2 55,-0.2 -3,-1.2 -0.971 47.8-170.8-131.2 141.2 41.3 60.5 -51.1 35 52 T V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.945 12.4-148.7-123.0 142.2 43.7 61.6 -48.4 36 53 T V E +LM 28 87C 1 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.2 -0.912 31.5 145.3-110.7 139.9 42.9 62.2 -44.8 37 54 T S E - M 0 86C 0 49,-2.5 49,-2.7 -2,-0.4 2,-0.3 -0.803 50.0 -64.8-152.5-168.8 44.9 64.8 -42.8 38 55 T A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.716 32.6-133.8 -93.4 144.0 44.4 67.3 -39.9 39 56 T A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.851 106.1 61.7 -62.8 -35.1 42.1 70.3 -40.3 40 57 T H G 3 S+ 0 0 55 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.591 94.3 65.5 -70.1 -4.8 44.8 72.6 -38.9 41 58 T b G < S+ 0 0 3 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.410 76.1 133.7 -92.0 1.4 46.9 71.6 -41.8 42 59 T Y < + 0 0 130 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.182 21.2 146.3 -56.1 143.7 44.4 73.3 -44.2 43 60 T K - 0 0 61 3,-0.0 3,-0.4 0, 0.0 2,-0.2 -0.927 45.1-109.7-171.3 151.8 45.9 75.5 -46.8 44 61 T S S S+ 0 0 93 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.625 95.7 34.3 -90.5 153.1 45.0 76.5 -50.4 45 62 T G S S+ 0 0 72 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.885 79.2 173.2 73.6 40.1 47.1 75.2 -53.3 46 63 T I - 0 0 8 -3,-0.4 21,-2.2 21,-0.1 2,-0.4 -0.606 18.4-163.5 -84.8 138.6 48.1 71.9 -51.8 47 64 T Q E -KN 19 66C 47 -28,-2.3 -28,-3.1 -2,-0.3 2,-0.5 -0.989 13.9-140.6-120.0 131.3 50.0 69.3 -53.8 48 65 T V E -KN 18 65C 0 17,-3.0 17,-2.6 -2,-0.4 2,-0.6 -0.796 11.4-159.7 -95.4 127.9 50.0 65.7 -52.5 49 66 T R E -KN 17 64C 52 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.922 12.1-175.6-112.9 115.5 53.2 63.7 -52.7 50 67 T L E + N 0 63C 3 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.686 61.2 29.4-106.1 159.9 53.0 59.9 -52.6 51 69 T G S S+ 0 0 6 -36,-0.5 10,-0.2 -38,-0.3 -1,-0.2 0.707 85.1 155.4 66.5 22.8 55.7 57.2 -52.6 52 70 T E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.474 21.6 149.9 -83.9 149.2 58.1 59.6 -50.8 53 71 T D S S+ 0 0 14 1,-0.3 2,-0.9 4,-0.2 82,-0.3 0.311 80.2 31.6-133.6 -73.8 61.1 58.8 -48.6 54 72 T N S > S- 0 0 28 3,-0.3 3,-1.5 80,-0.2 -1,-0.3 -0.811 73.6-160.2 -89.2 107.9 63.7 61.5 -49.0 55 73 T I T 3 S+ 0 0 30 78,-2.6 -1,-0.1 -2,-0.9 79,-0.1 0.520 86.5 52.5 -69.6 -1.7 61.5 64.6 -49.7 56 74 T N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.400 104.2 58.5-111.3 -0.3 64.4 66.5 -51.2 57 75 T V S < S- 0 0 75 -3,-1.5 2,-0.6 76,-0.2 -3,-0.3 -0.975 77.7-129.4-135.8 123.3 65.5 63.9 -53.8 58 76 T V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.566 30.8 174.7 -68.4 115.9 63.5 62.4 -56.6 59 77 T E - 0 0 91 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.429 50.0-102.2-105.6 -1.3 64.1 58.7 -56.1 60 78 T G S S+ 0 0 62 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.300 103.6 78.5 103.1 -10.8 61.8 57.3 -58.8 61 79 T N + 0 0 52 -10,-0.2 2,-0.1 38,-0.0 -9,-0.1 0.326 66.6 115.5-113.2 7.9 58.7 56.1 -56.9 62 80 T E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.395 43.7-163.4 -82.1 155.4 56.9 59.4 -56.3 63 81 T Q E -N 50 0C 38 -13,-1.8 -13,-2.8 -2,-0.1 2,-0.6 -0.984 6.6-160.3-136.6 119.9 53.6 60.6 -57.6 64 82 T F E +N 49 0C 84 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.919 18.7 169.1-107.2 114.0 52.8 64.3 -57.4 65 83 T I E -N 48 0C 17 -17,-2.6 -17,-3.0 -2,-0.6 2,-0.1 -0.986 28.3-129.9-132.1 127.6 49.1 65.1 -57.6 66 84 T S E -N 47 0C 51 -2,-0.4 25,-2.5 -19,-0.2 2,-0.4 -0.348 28.6-110.6 -71.2 151.1 47.3 68.4 -57.0 67 85 T A E -O 90 0C 22 -21,-2.2 23,-0.2 23,-0.2 3,-0.1 -0.672 25.6-172.0 -82.4 132.5 44.3 68.6 -54.7 68 86 T S E S+ 0 0 65 21,-2.8 2,-0.3 -2,-0.4 22,-0.2 0.728 73.0 8.1 -95.2 -24.3 41.1 69.3 -56.5 69 87 T K E -O 89 0C 93 20,-1.3 20,-3.0 2,-0.0 2,-0.4 -0.974 59.8-158.9-159.5 138.0 39.0 69.8 -53.4 70 88 T S E -O 88 0C 45 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.963 6.6-166.1-120.5 138.6 39.6 70.1 -49.6 71 89 T I E -O 87 0C 36 16,-3.4 16,-2.5 -2,-0.4 2,-0.2 -0.897 4.0-161.1-130.6 104.1 37.0 69.4 -47.0 72 90 T V E -O 86 0C 51 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.585 43.9 -88.3 -78.8 141.7 37.6 70.5 -43.4 73 91 T H > - 0 0 21 12,-2.1 3,-2.1 10,-0.3 -1,-0.1 -0.221 36.2-123.6 -51.2 133.4 35.3 68.8 -40.9 74 92 T P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.803 109.1 40.2 -50.5 -32.5 32.1 70.8 -40.5 75 93 T S T 3 S+ 0 0 74 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.092 78.1 144.7-107.8 23.6 32.6 71.2 -36.8 76 94 T Y < - 0 0 56 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.436 31.8-161.9 -63.8 130.1 36.3 71.8 -36.6 77 95 T N B >>> -P 82 0D 71 5,-2.0 4,-2.6 -2,-0.2 3,-0.6 -0.934 8.4-165.8-118.7 105.3 37.1 74.2 -33.8 78 96 T S T 345S+ 0 0 86 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.584 87.6 56.4 -67.1 -10.5 40.6 75.8 -34.2 79 97 T E T 345S+ 0 0 178 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.774 122.7 22.6 -91.6 -30.4 40.6 77.1 -30.7 80 98 T T T <45S- 0 0 68 -3,-0.6 -2,-0.2 2,-0.1 77,-0.2 0.525 96.1-130.4-111.0 -11.8 40.0 73.7 -29.0 81 99 T Y T ><5 + 0 0 79 -4,-2.6 3,-0.9 1,-0.2 -3,-0.2 0.558 52.1 155.8 70.5 9.4 41.3 71.5 -31.8 82 100 T N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.0 1,-0.2 -1,-0.2 -0.454 65.3 14.7 -68.3 138.6 38.1 69.4 -31.5 83 101 T N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.885 79.2 177.7 64.3 40.5 37.3 67.5 -34.8 84 102 T D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.485 34.7 113.0 -77.5 77.5 40.8 68.1 -36.2 85 103 T I - 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