==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (SERINE PROTEASE/INHIBITOR) 22-DEC-96 1CBW . COMPND 2 MOLECULE: BOVINE CHYMOTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.R.HYNES,A.J.SCHEIDIG,A.A.KOSSIAKOFF . 594 8 16 12 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 63 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1 0 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 11 7 1 7 6 3 2 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 2 0 0 0 2 0 0 2 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 1 A a 0 0 104 0, 0.0 117,-0.2 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 161.6 13.9 -51.5 -7.8 2 2 A G + 0 0 0 115,-2.8 201,-1.8 200,-0.2 116,-0.1 0.534 360.0 105.7 76.3 1.8 15.5 -48.2 -7.6 3 3 A V - 0 0 98 114,-0.3 114,-0.2 199,-0.2 -1,-0.2 -0.950 57.8-156.9-117.7 107.5 16.7 -48.1 -11.1 4 4 A P - 0 0 7 0, 0.0 19,-0.1 0, 0.0 110,-0.1 -0.483 17.8-132.9 -80.4 155.4 14.6 -45.7 -13.2 5 5 A A S S+ 0 0 57 108,-0.4 2,-0.6 17,-0.3 109,-0.1 0.949 97.7 47.7 -72.0 -54.8 14.3 -45.9 -16.9 6 6 A I S S- 0 0 43 107,-0.6 -1,-0.2 16,-0.5 14,-0.1 -0.809 98.4-120.9 -87.8 121.5 14.8 -42.2 -17.6 7 7 A Q - 0 0 136 -2,-0.6 16,-0.1 1,-0.1 17,-0.1 -0.350 22.6-125.7 -66.4 136.8 17.9 -41.0 -15.7 8 8 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 3,-0.2 -0.347 29.3-132.3 -73.4 164.7 17.3 -38.2 -13.2 9 9 A V + 0 0 63 1,-0.2 11,-0.1 11,-0.1 14,-0.0 -0.965 69.9 12.0-133.7 151.1 19.5 -35.1 -13.5 10 10 A L 0 0 131 -2,-0.4 -1,-0.2 1,-0.2 7,-0.1 0.858 360.0 360.0 60.8 39.9 21.6 -32.7 -11.4 11 11 A S 0 0 48 -3,-0.2 -1,-0.2 123,-0.0 123,-0.1 -0.970 360.0 360.0-136.6 360.0 21.2 -35.4 -8.7 12 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 16 B I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 143.9 10.0 -27.9 -2.3 14 17 B V B +A 185 0A 16 171,-2.5 171,-1.6 1,-0.2 128,-0.1 -0.909 360.0 2.1-108.7 124.2 11.7 -24.5 -1.8 15 18 B N S S+ 0 0 118 126,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.672 97.3 134.0 76.3 20.6 14.8 -23.8 -4.0 16 19 B G - 0 0 22 -3,-0.3 138,-0.3 169,-0.1 2,-0.2 -0.351 53.7-117.8 -91.5 174.2 14.6 -27.0 -5.9 17 20 B E E -B 153 0B 61 136,-2.5 136,-3.0 -2,-0.1 2,-0.3 -0.655 33.5 -97.3-105.4 167.6 14.9 -27.5 -9.6 18 21 B E E -B 152 0B 93 -2,-0.2 134,-0.2 134,-0.2 133,-0.1 -0.710 48.1-115.0 -83.2 139.0 12.2 -29.0 -11.9 19 22 B A - 0 0 3 132,-1.8 -1,-0.1 -2,-0.3 132,-0.1 -0.191 19.7-104.5 -77.7 163.3 12.7 -32.7 -12.6 20 23 B V > - 0 0 42 -11,-0.1 3,-2.7 1,-0.1 4,-0.2 -0.840 59.1 -96.4 -86.6 117.2 13.4 -34.5 -15.8 21 24 B P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.024 104.7 5.4 -37.0 122.4 10.0 -36.0 -16.6 22 25 B G T 3 S+ 0 0 19 45,-0.2 -16,-0.5 2,-0.2 -17,-0.3 0.420 91.5 120.6 77.3 1.3 9.7 -39.5 -15.4 23 26 B S S < S+ 0 0 0 -3,-2.7 -1,-0.1 1,-0.3 3,-0.0 0.606 77.5 43.0 -74.3 -12.4 13.1 -39.6 -13.6 24 27 B W S > S+ 0 0 8 -4,-0.2 3,-0.8 -17,-0.1 -1,-0.3 -0.767 73.3 172.1-131.0 76.0 11.6 -40.4 -10.1 25 28 B P T 3 + 0 0 5 0, 0.0 41,-0.2 0, 0.0 91,-0.2 0.484 68.1 62.6 -66.1 -12.6 9.1 -43.1 -11.2 26 29 B W T 3 S+ 0 0 0 89,-0.2 17,-1.7 91,-0.1 2,-0.3 0.715 76.9 107.2 -87.4 -23.6 8.1 -44.2 -7.7 27 30 B Q E < -K 42 0C 8 -3,-0.8 39,-0.4 15,-0.2 15,-0.3 -0.368 47.7-178.8 -60.1 116.4 6.7 -40.7 -6.7 28 31 B V E -K 41 0C 0 13,-2.4 13,-1.5 -2,-0.3 2,-0.4 -0.724 22.1-134.9-113.2 163.0 2.9 -40.7 -6.6 29 32 B S E -KL 40 64C 0 35,-1.7 35,-2.6 -2,-0.2 2,-0.5 -0.962 15.7-145.0-116.2 132.8 0.6 -37.8 -5.8 30 33 B L E +KL 39 63C 0 9,-3.0 8,-1.5 -2,-0.4 9,-1.1 -0.901 28.2 175.4 -99.5 130.2 -2.2 -38.5 -3.4 31 34 B Q E -KL 37 62C 26 31,-2.6 31,-3.5 -2,-0.5 6,-0.2 -0.984 28.0-115.0-140.2 155.7 -5.4 -36.6 -4.2 32 35 B D > - 0 0 38 4,-2.2 3,-2.5 -2,-0.3 29,-0.1 -0.247 44.8 -93.9 -79.2 167.8 -9.0 -36.3 -3.1 33 36 B K T 3 S+ 0 0 135 1,-0.3 -1,-0.1 27,-0.2 28,-0.1 0.905 126.1 57.9 -50.8 -40.1 -12.0 -37.2 -5.2 34 37 B T T 3 S- 0 0 19 1,-0.1 -1,-0.3 2,-0.1 565,-0.1 0.196 122.0-106.1 -74.8 12.0 -12.2 -33.6 -6.4 35 38 B G S < S+ 0 0 39 -3,-2.5 -2,-0.1 1,-0.2 -1,-0.1 0.244 70.5 145.5 86.9 -15.8 -8.7 -33.8 -7.7 36 39 B F - 0 0 18 -5,-0.1 -4,-2.2 1,-0.1 2,-0.6 -0.348 43.9-134.7 -62.7 132.1 -7.0 -31.7 -5.1 37 40 B H E +K 31 0C 6 -6,-0.2 -6,-0.2 1,-0.1 3,-0.1 -0.798 35.3 158.7 -91.7 124.0 -3.4 -32.8 -4.2 38 41 B F E + 0 0 17 -8,-1.5 221,-1.9 -2,-0.6 2,-0.3 0.570 60.2 11.5-120.0 -15.5 -2.5 -33.0 -0.5 39 42 B b E -K 30 0C 0 -9,-1.1 -9,-3.0 219,-0.2 -1,-0.3 -0.984 61.0-128.0-158.4 155.8 0.4 -35.3 -0.1 40 43 B G E -K 29 0C 2 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.339 26.4-178.7 -92.5-176.0 3.1 -37.2 -2.0 41 44 B G E -K 28 0C 0 -13,-1.5 -13,-2.4 10,-0.1 2,-0.3 -0.941 17.4-130.5-169.6 172.8 3.8 -40.8 -1.7 42 45 B S E -KM 27 50C 1 8,-1.5 8,-2.6 -2,-0.3 2,-0.4 -0.993 18.0-120.8-142.9 142.2 6.2 -43.3 -3.1 43 46 B L E + M 0 49C 0 -17,-1.7 75,-3.1 -2,-0.3 6,-0.2 -0.704 23.2 176.0 -84.5 132.8 5.7 -46.8 -4.7 44 47 B I S S- 0 0 20 4,-2.8 2,-0.3 -2,-0.4 76,-0.2 0.457 72.0 -19.5-110.7 -5.0 7.4 -49.8 -3.2 45 48 B N S S- 0 0 43 3,-0.8 3,-0.4 71,-0.2 -1,-0.3 -0.958 87.6 -68.5-179.0-177.5 5.8 -52.4 -5.6 46 49 B E S S+ 0 0 95 -2,-0.3 63,-3.1 1,-0.2 3,-0.1 0.789 130.3 28.8 -63.2 -22.4 2.9 -52.9 -7.9 47 50 B N S S+ 0 0 61 61,-0.2 58,-3.4 1,-0.1 2,-0.4 0.481 107.4 68.9-115.3 -6.3 0.4 -52.9 -5.0 48 51 B W E - N 0 104C 14 -3,-0.4 -4,-2.8 56,-0.2 -3,-0.8 -0.970 45.7-171.5-131.7 136.6 1.8 -50.8 -2.1 49 52 B V E -MN 43 103C 0 54,-1.6 54,-2.2 -2,-0.4 2,-0.6 -0.915 14.5-148.1-116.9 138.6 2.5 -47.1 -1.5 50 53 B V E +MN 42 102C 1 -8,-2.6 -8,-1.5 -2,-0.4 2,-0.3 -0.930 31.4 157.5-109.2 117.2 4.3 -45.7 1.5 51 54 B T E - N 0 101C 0 50,-2.8 50,-2.1 -2,-0.6 2,-0.2 -0.811 45.4 -78.6-128.1 174.2 3.0 -42.3 2.6 52 55 B A >> - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 4,-0.5 -0.495 31.9-129.3 -77.1 145.0 3.1 -40.3 5.8 53 56 B A G >4 S+ 0 0 3 1,-0.3 3,-1.5 -2,-0.2 4,-0.1 0.907 105.9 53.4 -57.7 -49.1 0.7 -41.1 8.7 54 57 B H G 34 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.1 204,-0.1 0.441 86.7 81.5 -70.7 -1.7 -0.4 -37.6 9.2 55 58 B b G <4 S- 0 0 3 -3,-1.6 -1,-0.3 203,-0.1 -2,-0.2 0.874 88.7-149.6 -67.7 -34.5 -1.3 -37.3 5.5 56 59 B G << - 0 0 48 -3,-1.5 -2,-0.1 -4,-0.5 -3,-0.1 0.854 19.6-173.1 70.3 43.7 -4.5 -39.0 6.6 57 60 B V - 0 0 11 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.159 0.9-167.6 -64.3 154.0 -5.3 -40.9 3.4 58 61 B T > - 0 0 60 26,-0.0 3,-1.9 45,-0.0 24,-0.2 -0.888 41.3 -97.0-137.1 171.1 -8.5 -42.8 3.1 59 62 B T T 3 S+ 0 0 82 -2,-0.3 23,-0.2 1,-0.3 -2,-0.0 0.322 121.9 61.1 -70.6 6.6 -10.0 -45.4 0.8 60 63 B S T 3 S+ 0 0 65 21,-0.1 -1,-0.3 2,-0.1 -27,-0.2 0.381 86.8 86.6-108.6 -9.7 -11.7 -42.5 -1.0 61 64 B D S < S- 0 0 20 -3,-1.9 21,-0.7 -29,-0.1 2,-0.4 -0.598 75.2-132.4 -85.4 163.3 -8.5 -40.7 -1.9 62 65 B V E -LO 31 81C 17 -31,-3.5 -31,-2.6 -2,-0.2 2,-0.5 -0.928 2.5-137.7-123.4 139.6 -6.9 -41.7 -5.1 63 66 B V E -LO 30 80C 0 17,-1.6 17,-1.3 -2,-0.4 2,-0.6 -0.827 19.2-160.0 -91.8 133.7 -3.3 -42.5 -5.8 64 67 B V E +LO 29 79C 3 -35,-2.6 -35,-1.7 -2,-0.5 2,-0.3 -0.923 12.4 177.7-122.9 109.0 -2.0 -41.0 -9.0 65 68 B A E + O 0 78C 1 13,-2.0 13,-2.3 -2,-0.6 -37,-0.1 -0.773 58.4 37.7-107.0 153.9 1.1 -42.5 -10.6 66 69 B G S S+ 0 0 18 -39,-0.4 10,-0.2 48,-0.4 -1,-0.1 0.116 82.6 123.7 97.0 -19.6 2.8 -41.5 -13.9 67 70 B E + 0 0 27 11,-0.2 -1,-0.3 -3,-0.2 -45,-0.2 -0.289 19.8 155.6 -76.1 158.4 2.2 -37.7 -13.7 68 71 B F S S+ 0 0 15 1,-0.6 83,-1.6 4,-0.1 2,-0.7 0.354 76.2 44.2-144.7 -52.7 4.9 -34.9 -13.8 69 72 B D B -Q 150 0D 11 81,-0.2 -1,-0.6 1,-0.1 81,-0.2 -0.938 64.5-168.7-103.1 118.0 3.0 -31.9 -14.9 70 73 B Q S S+ 0 0 44 79,-2.2 -1,-0.1 -2,-0.7 80,-0.1 0.564 86.6 59.7 -82.9 -9.0 -0.2 -31.8 -13.0 71 74 B G S S+ 0 0 49 78,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.871 87.3 84.8 -82.1 -41.1 -1.4 -29.1 -15.4 72 75 B S - 0 0 58 1,-0.2 -4,-0.1 77,-0.1 3,-0.1 -0.396 54.9-170.0 -64.8 132.5 -1.1 -31.3 -18.6 73 76 B S S S+ 0 0 105 1,-0.1 2,-1.5 -2,-0.1 -1,-0.2 0.868 72.6 78.9 -87.4 -43.1 -4.1 -33.5 -19.3 74 77 B S + 0 0 123 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.514 68.6 114.1 -72.4 84.7 -2.3 -35.4 -22.1 75 78 B E S S- 0 0 63 -2,-1.5 2,-2.4 2,-0.1 -8,-0.1 -0.978 74.6-114.4-155.1 144.3 -0.2 -37.8 -20.0 76 79 B K + 0 0 194 -2,-0.3 2,-0.5 -10,-0.2 38,-0.1 -0.463 57.4 162.3 -79.3 67.0 -0.1 -41.6 -19.5 77 80 B I - 0 0 55 -2,-2.4 2,-0.4 -11,-0.1 -11,-0.2 -0.794 34.2-142.9 -99.1 130.2 -1.1 -41.3 -15.9 78 81 B Q E -O 65 0C 37 -13,-2.3 -13,-2.0 -2,-0.5 2,-0.5 -0.732 9.0-161.0 -86.4 136.3 -2.5 -44.2 -13.9 79 82 B K E -O 64 0C 149 -2,-0.4 -15,-0.2 -15,-0.2 2,-0.1 -0.767 20.6-176.9-123.1 83.4 -5.2 -43.2 -11.5 80 83 B L E -O 63 0C 12 -17,-1.3 -17,-1.6 -2,-0.5 2,-0.3 -0.253 16.9-126.6 -80.8 165.3 -5.4 -46.0 -8.9 81 84 B K E -O 62 0C 133 -19,-0.2 25,-3.2 26,-0.1 26,-0.8 -0.792 18.3-115.3-115.0 155.3 -7.7 -46.6 -5.9 82 85 B I E +P 105 0C 9 -21,-0.7 23,-0.2 -2,-0.3 3,-0.1 -0.752 25.9 175.4 -94.2 122.4 -7.1 -47.4 -2.3 83 86 B A E S+ 0 0 45 21,-3.1 2,-0.4 -2,-0.5 22,-0.2 0.923 72.7 7.1 -85.5 -52.2 -8.2 -50.7 -0.9 84 87 B K E -P 104 0C 97 20,-1.3 20,-3.4 -26,-0.1 2,-0.7 -0.996 58.5-151.6-139.1 132.1 -6.8 -50.5 2.6 85 88 B V E -P 103 0C 47 -2,-0.4 2,-0.8 18,-0.2 18,-0.2 -0.898 12.9-163.8-104.5 116.0 -5.1 -47.7 4.6 86 89 B F E -P 102 0C 38 16,-3.2 16,-1.8 -2,-0.7 2,-0.3 -0.788 4.4-166.6-102.2 93.9 -2.7 -49.0 7.2 87 90 B K E -P 101 0C 124 -2,-0.8 2,-0.3 14,-0.2 14,-0.2 -0.595 33.2-107.0 -80.0 133.6 -1.9 -46.3 9.7 88 91 B N > - 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