==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX(PROTEINASE/INHIBITOR) 17-DEC-92 1BRC . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.J.PERONA,R.J.FLETTERICK . 279 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 30.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1.1 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 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 8.2 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 1 0 0 1 1 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 . 6 1 2 6 2 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 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 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 109.6 63.9 -59.7 -12.0 2 17 E V B 3 +A 171 0A 11 169,-3.1 169,-2.3 1,-0.2 123,-0.1 -0.777 360.0 9.0 -87.8 129.6 62.0 -62.6 -10.7 3 18 E G T 3 S+ 0 0 34 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.656 100.1 118.0 80.2 20.4 59.7 -61.6 -7.8 4 19 E G < - 0 0 29 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 -0.279 57.7-112.7-105.7-166.5 60.1 -57.9 -7.9 5 20 E Y E -B 137 0B 104 132,-1.9 132,-2.8 -2,-0.1 2,-0.2 -0.863 36.4 -91.9-126.5 157.5 57.8 -54.9 -8.4 6 21 E T E -B 136 0B 66 -2,-0.3 130,-0.3 130,-0.2 2,-0.2 -0.506 47.0-119.9 -69.8 133.2 57.5 -52.3 -11.2 7 22 E a - 0 0 3 128,-2.7 3,-0.1 -2,-0.2 128,-0.1 -0.543 31.2-102.3 -69.6 146.0 59.6 -49.3 -10.3 8 23 E Q > - 0 0 158 -2,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.452 61.6 -80.7 -62.5 139.8 57.7 -46.1 -10.0 9 24 E E T 3 S- 0 0 122 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.236 108.6 -1.1 -64.0 135.1 58.4 -44.3 -13.3 10 25 E N T 3 S+ 0 0 37 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.776 92.3 119.9 58.2 38.8 61.6 -42.5 -13.5 11 26 E S S < S+ 0 0 52 -3,-1.5 -2,-0.1 1,-0.2 3,-0.1 0.563 74.1 51.5 -96.7 -18.0 62.6 -43.4 -9.9 12 27 E V S > S+ 0 0 8 -4,-0.3 3,-2.1 1,-0.1 -1,-0.2 -0.491 70.8 165.1-111.5 69.4 65.8 -45.2 -11.1 13 28 E P T 3 + 0 0 29 0, 0.0 88,-1.8 0, 0.0 38,-0.3 0.581 68.7 56.2 -70.7 -10.2 67.1 -42.3 -13.3 14 29 E Y T 3 S+ 0 0 27 86,-0.2 15,-1.9 -3,-0.1 2,-0.3 0.443 80.2 111.0 -93.9 -6.6 70.7 -43.7 -13.7 15 30 E Q E < -K 28 0C 7 -3,-2.1 36,-0.6 13,-0.2 37,-0.3 -0.563 48.0-174.7 -68.2 129.6 69.4 -47.1 -15.2 16 31 E V E -KL 27 50C 1 11,-1.7 11,-0.9 -2,-0.3 2,-0.5 -0.862 21.2-135.0-121.3 163.0 70.3 -47.4 -18.9 17 32 E S E -KL 26 49C 0 32,-2.3 32,-2.5 -2,-0.3 2,-0.6 -0.974 14.1-145.9-113.1 125.0 69.5 -50.1 -21.5 18 33 E L E -KL 25 48C 0 7,-2.5 6,-2.0 -2,-0.5 7,-1.0 -0.849 28.9-172.0 -89.9 129.7 72.4 -51.3 -23.8 19 34 E N E +KL 23 47C 13 28,-3.3 28,-2.2 -2,-0.6 4,-0.2 -0.966 35.4 167.3-132.1 141.6 70.8 -52.0 -27.1 20 37 E S S S- 0 0 55 2,-1.9 3,-0.1 -2,-0.4 -1,-0.1 0.063 95.3 -44.4-132.5 22.1 71.9 -53.6 -30.4 21 38 E G S S+ 0 0 66 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 -0.207 139.9 27.4 130.2 -42.4 68.5 -54.1 -32.1 22 39 E Y S S- 0 0 81 -4,-0.0 -2,-1.9 0, 0.0 2,-0.3 -0.911 101.2 -86.3-139.5 163.3 67.0 -55.4 -28.9 23 40 E H E +K 19 0C 22 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.609 50.0 160.6 -68.7 130.0 67.8 -54.9 -25.2 24 41 E F E + 0 0 1 -6,-2.0 217,-1.8 1,-0.4 2,-0.3 0.548 59.2 3.2-129.4 -15.0 70.5 -57.3 -24.1 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-2.5 215,-0.2 -1,-0.4 -0.963 63.4-126.3-159.0 164.8 72.0 -55.9 -20.8 26 43 E G E +K 17 0C 1 151,-3.4 12,-0.3 -2,-0.3 2,-0.3 -0.403 24.9 179.4-101.9-172.3 71.6 -53.0 -18.4 27 44 E G E -K 16 0C 0 -11,-0.9 -11,-1.7 -2,-0.2 2,-0.4 -0.970 22.8-112.2-171.7 179.9 74.1 -50.4 -17.1 28 45 E S E -KM 15 36C 0 8,-2.0 8,-2.6 -2,-0.3 2,-0.5 -0.993 17.8-132.1-132.9 134.0 74.6 -47.3 -14.8 29 46 E L E + M 0 35C 0 -15,-1.9 74,-1.6 -2,-0.4 6,-0.2 -0.714 26.6 171.5 -79.8 123.9 75.3 -43.7 -15.6 30 47 E I E - 0 0 21 4,-1.9 2,-0.3 1,-0.5 -1,-0.2 0.565 67.9 -9.3-113.7 -12.6 78.2 -42.4 -13.4 31 48 E N E > S- M 0 34C 56 3,-1.1 3,-1.6 70,-0.1 -1,-0.5 -0.936 91.8 -70.3-167.7 167.8 78.7 -39.1 -15.1 32 49 E D T 3 S+ 0 0 74 -2,-0.3 62,-2.5 1,-0.3 60,-0.1 0.528 126.4 19.3 -32.0 -29.9 77.6 -37.1 -18.3 33 50 E Q T 3 S+ 0 0 49 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.409 108.0 74.7-132.5 1.7 79.6 -39.3 -20.7 34 51 E W E < -MN 31 89C 8 -3,-1.6 -4,-1.9 55,-0.2 -3,-1.1 -0.970 47.9-168.9-125.0 141.2 80.5 -42.7 -19.1 35 52 E V E -MN 29 88C 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.4 -0.931 12.8-146.9-116.5 139.4 78.4 -45.8 -18.4 36 53 E V E +MN 28 87C 0 -8,-2.6 -8,-2.0 -2,-0.4 2,-0.2 -0.866 32.3 144.2-106.6 143.1 79.5 -48.8 -16.2 37 54 E S E - N 0 86C 0 49,-2.6 49,-2.3 -2,-0.4 2,-0.3 -0.856 50.3 -64.5-154.7-168.1 78.4 -52.3 -17.0 38 55 E A > - 0 0 0 -12,-0.3 3,-1.3 47,-0.3 47,-0.3 -0.681 35.5-131.0 -92.4 147.1 79.6 -56.0 -17.0 39 56 E A G > S+ 0 0 1 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.846 104.1 65.4 -69.4 -28.8 82.4 -57.2 -19.3 40 57 E H G 3 S+ 0 0 18 1,-0.3 -1,-0.3 41,-0.1 200,-0.1 0.518 89.2 69.0 -71.7 1.3 80.4 -60.2 -20.5 41 58 E b G < S+ 0 0 3 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.1 0.192 73.7 138.6 -99.9 14.4 78.0 -57.7 -22.1 42 59 E Y < + 0 0 105 -3,-1.6 2,-0.3 2,-0.0 -3,-0.0 -0.424 15.1 151.0 -63.1 133.7 80.7 -56.7 -24.7 43 60 E K - 0 0 50 -2,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.885 47.4-121.6-146.2 167.7 79.6 -56.2 -28.3 44 61 E S S S+ 0 0 69 -2,-0.3 2,-0.5 1,-0.2 26,-0.1 0.721 100.9 43.9 -90.8 -26.8 81.2 -53.8 -30.9 45 62 E R S S+ 0 0 199 2,-0.0 2,-0.4 21,-0.0 -1,-0.2 -0.991 73.5 165.5-110.7 113.8 78.2 -51.7 -31.7 46 63 E I - 0 0 4 -2,-0.5 21,-2.7 21,-0.3 2,-0.5 -1.000 20.1-162.1-126.8 138.1 76.3 -50.7 -28.6 47 64 E Q E -LO 19 66C 44 -28,-2.2 -28,-3.3 -2,-0.4 2,-0.5 -0.977 14.2-145.4-115.2 131.6 73.7 -48.0 -28.3 48 66 E V E -LO 18 65C 0 17,-3.2 17,-2.4 -2,-0.5 2,-0.6 -0.845 8.3-158.8 -99.4 127.7 72.9 -46.7 -24.8 49 67 E R E -LO 17 64C 53 -32,-2.5 -32,-2.3 -2,-0.5 2,-0.3 -0.944 11.7-173.1-113.8 119.6 69.3 -45.7 -24.1 50 68 E L E +LO 16 63C 3 13,-3.0 13,-2.5 -2,-0.6 -34,-0.1 -0.833 62.3 29.7-108.9 151.8 68.7 -43.4 -21.1 51 69 E G S S+ 0 0 6 -36,-0.6 2,-0.2 -2,-0.3 -1,-0.2 0.636 80.9 151.2 74.8 17.0 65.5 -42.2 -19.5 52 70 E E + 0 0 14 -37,-0.3 -1,-0.2 -3,-0.3 -42,-0.2 -0.478 17.0 154.2 -79.6 141.5 63.6 -45.4 -20.5 53 71 E H S S+ 0 0 14 4,-0.2 82,-1.4 1,-0.2 2,-0.7 0.483 80.0 35.0-125.5 -56.8 60.7 -46.8 -18.4 54 72 E N B > S-Q 134 0D 25 3,-0.2 3,-1.5 80,-0.2 80,-0.2 -0.876 75.2-158.7 -98.8 114.0 58.8 -48.8 -21.0 55 73 E I T 3 S+ 0 0 23 78,-2.4 -1,-0.1 -2,-0.7 79,-0.1 0.593 85.1 47.1 -72.1 -5.5 61.4 -50.3 -23.3 56 74 E N T 3 S+ 0 0 117 77,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.347 100.5 65.7-121.8 0.8 58.9 -50.8 -26.2 57 75 E V S < S- 0 0 79 -3,-1.5 2,-0.8 76,-0.2 -4,-0.2 -0.995 80.6-124.1-125.6 130.5 57.1 -47.5 -26.5 58 76 E L + 0 0 147 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.683 33.8 179.4 -70.7 111.0 58.7 -44.2 -27.5 59 77 E E - 0 0 57 -2,-0.8 -1,-0.2 -5,-0.1 -7,-0.0 0.530 41.1-115.4 -93.9 -11.3 57.6 -42.1 -24.4 60 78 E G S S+ 0 0 68 1,-0.0 -2,-0.1 0, 0.0 -1,-0.0 0.201 98.6 83.2 96.1 -15.3 59.2 -38.7 -25.3 61 79 E N + 0 0 50 -10,-0.2 38,-0.1 2,-0.0 2,-0.1 0.510 66.6 110.1 -98.0 -7.1 61.7 -38.7 -22.3 62 80 E E - 0 0 28 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.292 48.5-157.3 -82.5 153.6 64.5 -40.8 -23.8 63 81 E Q E -O 50 0C 41 -13,-2.5 -13,-3.0 -2,-0.1 2,-0.5 -0.992 8.9-161.6-126.0 133.9 68.0 -40.1 -24.9 64 82 E F E +O 49 0C 87 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.988 17.4 168.2-116.2 118.9 69.7 -42.4 -27.4 65 83 E V E -O 48 0C 13 -17,-2.4 -17,-3.2 -2,-0.5 2,-0.2 -0.995 29.2-126.2-135.1 139.0 73.5 -42.2 -27.6 66 84 E N E -O 47 0C 90 -2,-0.4 25,-2.1 -19,-0.2 2,-0.6 -0.601 30.3-108.3 -87.5 148.3 76.0 -44.6 -29.3 67 85 E A E -P 90 0C 20 -21,-2.7 -21,-0.3 23,-0.2 23,-0.3 -0.667 31.7-177.6 -74.4 112.3 79.0 -46.0 -27.5 68 86 E A E S+ 0 0 58 21,-2.4 2,-0.4 -2,-0.6 22,-0.2 0.872 71.5 18.9 -80.8 -40.5 82.2 -44.4 -28.7 69 87 E K E -P 89 0C 72 20,-1.7 20,-2.6 2,-0.0 2,-0.5 -0.996 59.7-169.1-132.6 136.7 84.7 -46.4 -26.5 70 88 E I E +P 88 0C 40 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.981 12.1 179.9-124.3 113.5 84.1 -49.8 -24.8 71 89 E I E -P 87 0C 41 16,-2.7 16,-2.8 -2,-0.5 2,-0.2 -0.971 8.5-163.0-121.8 112.9 86.9 -50.7 -22.3 72 90 E K E -P 86 0C 85 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.501 41.1 -84.9 -82.2 163.1 86.8 -54.0 -20.4 73 91 E H > - 0 0 24 12,-2.0 3,-2.0 10,-0.3 -1,-0.1 -0.520 38.4-123.8 -68.7 139.5 88.9 -54.5 -17.3 74 92 E P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.744 107.7 44.6 -56.6 -27.3 92.4 -55.8 -18.4 75 93 E N T 3 S+ 0 0 112 8,-0.1 2,-0.1 2,-0.1 7,-0.1 0.115 74.2 142.4-108.3 21.3 92.2 -58.9 -16.2 76 94 E F < - 0 0 45 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.485 38.3-153.5 -60.1 132.2 88.6 -60.0 -17.0 77 95 E D > - 0 0 68 5,-1.7 4,-2.2 -2,-0.1 5,-0.4 -0.968 7.7-155.3-114.1 116.9 88.7 -63.8 -17.2 78 96 E R T 4 S+ 0 0 73 -2,-0.5 185,-0.3 1,-0.2 -1,-0.1 0.671 90.8 48.0 -73.0 -14.9 86.0 -65.3 -19.4 79 97 E K T 4 S+ 0 0 89 183,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.898 123.9 25.3 -92.1 -43.3 86.0 -68.6 -17.5 80 98 E T T 4 S- 0 0 69 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.691 94.1-132.9 -91.9 -16.8 85.8 -67.6 -13.8 81 99 E L >< + 0 0 8 -4,-2.2 3,-0.8 1,-0.3 2,-0.2 0.727 47.6 160.9 67.5 23.4 84.1 -64.1 -14.5 82 100 E N T 3 + 0 0 37 -5,-0.4 -5,-1.7 1,-0.2 -1,-0.3 -0.569 64.4 14.6 -71.4 138.3 86.7 -62.6 -12.2 83 101 E N T 3 S+ 0 0 20 -2,-0.2 2,-1.5 1,-0.2 -10,-0.3 0.879 79.0 175.7 61.4 47.2 86.9 -58.8 -12.8 84 102 E D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.613 32.0 110.5 -87.5 88.5 83.7 -58.6 -14.8 85 103 E I + 0 0 0 -2,-1.5 -12,-2.0 -47,-0.3 2,-0.3 -0.981 36.2 178.5-158.6 142.0 83.3 -54.8 -15.4 86 104 E M E -NP 37 72C 0 -49,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.988 18.9-135.6-147.3 154.5 83.6 -52.5 -18.3 87 105 E L E -NP 36 71C 0 -16,-2.8 -16,-2.7 -2,-0.3 2,-0.5 -0.887 11.0-158.8-110.6 142.5 83.3 -48.8 -19.1 88 106 E I E -NP 35 70C 0 -53,-2.8 -53,-2.7 -2,-0.4 2,-0.6 -0.983 5.9-153.0-119.7 128.0 81.4 -47.3 -22.0 89 107 E K E -NP 34 69C 47 -20,-2.6 -21,-2.4 -2,-0.5 -20,-1.7 -0.929 20.9-134.6 -99.8 122.9 82.2 -43.7 -23.2 90 108 E L E - 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