==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (SERINE PROTEASE/PEPTIDE) 05-FEB-97 1AB9 . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.SUGIO,A.KASHIMA,Y.INOUE,I.MAEDA,T.NOSE,Y.SHIMOHIGASHI . 242 4 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 33.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.8 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 0 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 . 5 2 3 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 108 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 166.2 14.1 18.7 23.9 2 2 A G + 0 0 0 114,-2.6 199,-2.5 198,-0.2 115,-0.1 0.524 360.0 108.2 61.5 14.0 13.2 17.8 27.5 3 3 A V - 0 0 103 113,-0.3 -1,-0.1 197,-0.2 113,-0.1 -0.871 58.9-149.9-123.9 92.8 9.4 17.9 27.2 4 4 A P - 0 0 15 0, 0.0 109,-0.1 0, 0.0 18,-0.1 -0.312 12.2-141.3 -60.8 143.9 8.0 14.3 27.3 5 5 A A S S+ 0 0 63 107,-0.7 2,-0.6 16,-0.2 108,-0.1 0.795 99.1 51.1 -73.6 -32.8 4.8 13.6 25.4 6 6 A I S S- 0 0 50 106,-0.5 -1,-0.2 15,-0.4 13,-0.1 -0.950 98.3-128.9-107.1 112.5 3.7 11.4 28.3 7 7 A Q - 0 0 162 -2,-0.6 2,-0.1 1,-0.1 15,-0.1 -0.410 16.8-124.5 -68.4 130.7 4.1 13.3 31.6 8 8 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.468 16.3-144.9 -72.5 147.1 6.0 11.7 34.4 9 9 A V 0 0 97 -2,-0.1 10,-0.2 0, 0.0 13,-0.0 -0.982 360.0 360.0-116.3 117.1 4.3 11.3 37.7 10 10 A L 0 0 109 -2,-0.5 8,-0.0 8,-0.1 142,-0.0 -0.866 360.0 360.0-103.1 360.0 6.6 11.7 40.7 11 !* 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 12 16 B I > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 126.1 17.7 2.3 41.9 13 17 B V B 3 +A 183 0A 19 170,-2.9 170,-1.4 1,-0.2 128,-0.1 -0.783 360.0 2.2 -90.9 128.9 17.3 1.4 45.5 14 18 B N T 3 S+ 0 0 112 126,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.732 101.0 127.1 69.2 24.7 14.0 2.6 47.1 15 19 B G < - 0 0 28 -3,-0.6 2,-0.3 168,-0.1 137,-0.2 -0.113 52.6-119.7 -92.3-161.6 12.8 4.2 43.9 16 20 B E E -B 151 0B 94 135,-2.7 135,-2.6 -3,-0.1 2,-0.2 -0.944 28.6 -86.3-142.4 161.1 9.4 3.6 42.3 17 21 B E E -B 150 0B 95 -2,-0.3 133,-0.2 133,-0.2 2,-0.1 -0.449 47.6-130.2 -67.8 135.6 8.1 2.3 39.0 18 22 B A - 0 0 3 131,-2.7 -1,-0.1 -2,-0.2 131,-0.1 -0.450 24.9 -97.1 -85.3 160.4 7.9 5.0 36.3 19 23 B V > - 0 0 50 -10,-0.2 3,-2.3 -2,-0.1 4,-0.2 -0.648 59.4 -94.9 -73.3 127.4 4.9 5.8 34.2 20 24 B P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.230 104.9 4.0 -49.3 127.4 5.6 3.9 30.9 21 25 B G T 3 S+ 0 0 17 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.469 91.9 120.1 77.2 5.0 7.2 6.1 28.3 22 26 B S S < S+ 0 0 0 -3,-2.3 3,-0.1 1,-0.3 -1,-0.1 0.542 74.3 49.4 -79.0 -8.8 7.5 9.1 30.6 23 27 B W S > S+ 0 0 7 -4,-0.2 3,-1.8 90,-0.1 -1,-0.3 -0.631 73.1 173.8-126.7 70.8 11.3 9.3 30.4 24 28 B P T 3 S+ 0 0 4 0, 0.0 91,-1.1 0, 0.0 41,-0.3 0.596 71.8 55.8 -55.4 -20.5 11.5 9.1 26.5 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-1.9 91,-0.1 2,-0.4 0.593 79.5 110.3 -89.5 -14.7 15.3 9.7 26.3 26 30 B Q E < -K 41 0C 6 -3,-1.8 39,-0.5 15,-0.2 40,-0.3 -0.482 47.3-179.5 -66.0 119.9 16.1 6.8 28.6 27 31 B V E -K 40 0C 0 13,-2.6 13,-1.2 -2,-0.4 2,-0.4 -0.820 22.5-133.0-119.0 160.5 17.8 4.0 26.6 28 32 B S E -KL 39 63C 0 35,-2.3 35,-3.0 -2,-0.3 2,-0.6 -0.933 11.9-147.3-111.8 133.0 19.1 0.6 27.6 29 33 B L E +KL 38 62C 1 9,-2.8 8,-2.5 -2,-0.4 9,-1.2 -0.923 24.8 179.7-102.7 119.9 22.5 -0.6 26.5 30 34 B Q E -KL 36 61C 22 31,-2.7 31,-3.1 -2,-0.6 6,-0.2 -0.917 22.1-131.8-121.3 146.8 22.5 -4.4 26.0 31 35 B D > - 0 0 43 4,-1.9 3,-2.3 -2,-0.3 29,-0.1 -0.354 46.9 -84.1 -83.9-179.1 25.3 -6.7 24.9 32 36 B K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.753 127.7 60.4 -60.1 -23.0 24.7 -9.3 22.1 33 37 B T T 3 S- 0 0 115 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.516 119.7-106.5 -80.3 -8.8 23.2 -11.8 24.6 34 38 B G S < S+ 0 0 44 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.495 70.5 147.9 94.9 8.3 20.4 -9.4 25.5 35 39 B F - 0 0 125 -4,-0.1 -4,-1.9 1,-0.0 2,-0.5 -0.635 46.3-134.0 -81.8 124.4 21.9 -8.5 28.9 36 40 B H E +K 30 0C 9 -2,-0.4 -6,-0.2 -6,-0.2 109,-0.1 -0.683 36.7 160.0 -77.0 121.0 21.2 -4.9 30.1 37 41 B F E + 0 0 42 -8,-2.5 2,-0.3 -2,-0.5 150,-0.3 0.595 57.8 3.9-118.7 -15.0 24.5 -3.5 31.4 38 42 B b E -K 29 0C 6 -9,-1.2 -9,-2.8 150,-0.1 -1,-0.3 -0.978 61.0-123.4-162.8 164.0 24.1 0.3 31.4 39 43 B G E +K 28 0C 2 150,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.521 25.4 179.7-104.4 178.8 21.7 3.1 30.7 40 44 B G E -K 27 0C 0 -13,-1.2 -13,-2.6 -2,-0.2 2,-0.4 -0.960 20.7-124.3-168.0 169.9 22.1 6.1 28.4 41 45 B S E -KM 26 49C 1 8,-2.5 8,-2.9 -2,-0.3 2,-0.3 -0.997 17.8-129.4-133.2 133.1 20.2 9.2 27.2 42 46 B L E + M 0 48C 0 -17,-1.9 75,-2.2 -2,-0.4 6,-0.2 -0.609 22.5 178.0 -75.8 131.1 19.2 10.2 23.7 43 47 B I E S- 0 0 18 4,-2.3 2,-0.3 1,-0.4 -1,-0.1 0.453 72.6 -18.5-109.3 -10.6 20.3 13.8 23.0 44 48 B N E > S- M 0 47C 39 3,-1.0 3,-0.6 71,-0.1 -1,-0.4 -0.932 88.3 -72.8-174.9 179.4 19.1 13.7 19.4 45 49 B E T 3 S+ 0 0 87 -2,-0.3 63,-2.9 1,-0.2 3,-0.0 0.724 127.9 33.6 -62.6 -22.2 18.1 11.1 16.8 46 50 B N T 3 S+ 0 0 68 61,-0.2 58,-2.7 1,-0.1 2,-0.4 0.463 109.7 65.7-114.2 -1.3 21.7 10.0 16.1 47 51 B W E < -MN 44 103C 14 -3,-0.6 -4,-2.3 56,-0.2 -3,-1.0 -0.973 48.2-172.2-134.3 141.5 23.5 10.4 19.4 48 52 B V E -MN 42 102C 0 54,-2.0 54,-2.6 -2,-0.4 2,-0.4 -0.972 14.7-147.6-127.8 134.7 23.4 8.8 22.8 49 53 B V E +MN 41 101C 3 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.879 32.5 148.2-102.2 134.9 25.3 9.9 25.9 50 54 B T E - N 0 100C 0 50,-2.6 50,-2.2 -2,-0.4 2,-0.4 -0.809 50.1 -69.4-147.3-172.5 26.4 7.3 28.4 51 55 B A > - 0 0 1 -12,-0.4 3,-1.4 48,-0.3 5,-0.3 -0.738 30.5-138.5 -90.6 138.4 29.3 6.7 30.9 52 56 B A G > S+ 0 0 7 -2,-0.4 3,-1.8 1,-0.3 4,-0.2 0.875 101.9 62.9 -62.3 -35.6 32.8 6.0 29.5 53 57 B H G 3 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.1 136,-0.0 0.599 81.5 81.0 -67.3 -11.5 33.3 3.2 32.1 54 58 B b G < S- 0 0 16 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.707 91.5-143.5 -65.4 -19.2 30.4 1.2 30.6 55 59 B G < - 0 0 52 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.879 23.7-170.0 58.6 44.1 32.9 0.1 28.0 56 60 B V - 0 0 15 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.306 4.3-169.5 -65.8 145.5 30.5 0.1 25.1 57 61 B T > - 0 0 67 26,-0.0 3,-1.7 4,-0.0 24,-0.1 -0.836 40.7-100.4-127.8 169.9 31.7 -1.5 21.8 58 62 B T T 3 S+ 0 0 85 -2,-0.3 23,-0.4 1,-0.3 -2,-0.1 0.479 119.2 66.7 -71.0 -2.5 30.1 -1.5 18.3 59 63 B S T 3 S+ 0 0 72 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.539 86.0 88.9 -90.0 -15.5 28.8 -5.0 19.1 60 64 B D S < S- 0 0 16 -3,-1.7 21,-0.6 -29,-0.1 2,-0.4 -0.480 72.1-132.5 -81.0 161.4 26.5 -3.7 21.8 61 65 B V E -LO 30 80C 39 -31,-3.1 -31,-2.7 -2,-0.1 2,-0.5 -0.914 0.5-141.0-121.8 141.8 22.9 -2.5 21.1 62 66 B V E -LO 29 79C 0 17,-2.4 17,-3.3 -2,-0.4 2,-0.6 -0.865 19.2-160.0 -97.5 123.8 21.0 0.7 22.1 63 67 B V E -LO 28 78C 1 -35,-3.0 -35,-2.3 -2,-0.5 2,-0.3 -0.945 11.4-175.2-110.9 118.7 17.4 -0.1 23.0 64 68 B A E + O 0 77C 1 13,-2.7 13,-2.6 -2,-0.6 -37,-0.1 -0.799 59.6 28.7-112.5 153.1 14.9 2.8 22.9 65 69 B G S S+ 0 0 19 -39,-0.5 2,-0.2 48,-0.3 -1,-0.2 0.591 83.4 141.5 78.1 12.9 11.2 3.0 23.8 66 70 B E + 0 0 21 -40,-0.3 -1,-0.2 -3,-0.2 -45,-0.2 -0.611 18.8 154.6 -92.2 144.8 11.5 0.3 26.4 67 71 B F S S+ 0 0 20 -2,-0.2 82,-1.6 1,-0.2 2,-0.7 0.532 74.9 36.6-125.8 -55.4 9.7 0.2 29.7 68 72 B D B > -Q 148 0D 26 80,-0.2 3,-1.6 1,-0.1 80,-0.2 -0.913 61.1-167.0-109.3 106.4 9.3 -3.5 30.6 69 73 B Q T 3 S+ 0 0 45 78,-2.8 -1,-0.1 -2,-0.7 79,-0.1 0.634 89.7 60.0 -68.4 -11.1 12.4 -5.5 29.6 70 74 B G T 3 S+ 0 0 57 77,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.522 87.7 97.2 -92.1 -8.0 10.4 -8.7 30.3 71 75 B S < - 0 0 35 -3,-1.6 3,-0.1 76,-0.2 -4,-0.0 -0.600 48.8-172.4 -85.7 144.2 7.7 -7.7 27.7 72 76 B S S S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.393 81.3 66.5-109.1 -2.9 7.7 -9.0 24.1 73 77 B S S S+ 0 0 106 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.326 70.9 108.0-102.9 4.6 4.8 -6.7 23.1 74 78 B E S S- 0 0 50 -6,-0.2 2,-1.7 -3,-0.1 -8,-0.1 -0.638 72.1-127.1 -83.1 141.5 6.5 -3.3 23.3 75 79 B K + 0 0 203 -2,-0.3 2,-0.1 -10,-0.1 -1,-0.1 -0.620 48.3 168.3 -87.1 77.5 7.3 -1.5 20.1 76 80 B I - 0 0 57 -2,-1.7 2,-0.5 -13,-0.0 -11,-0.2 -0.463 33.1-129.6 -87.9 165.1 11.0 -1.0 21.0 77 81 B Q E -O 64 0C 40 -13,-2.6 -13,-2.7 -2,-0.1 2,-0.8 -0.974 12.0-159.6-120.4 116.4 13.8 0.2 18.7 78 82 B K E -O 63 0C 150 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.880 19.2-168.4 -95.2 109.8 17.0 -1.8 18.6 79 83 B L E -O 62 0C 9 -17,-3.3 -17,-2.4 -2,-0.8 2,-0.2 -0.835 14.4-134.5-107.7 137.5 19.6 0.5 17.2 80 84 B K E -O 61 0C 150 -2,-0.4 25,-2.8 -19,-0.2 26,-0.7 -0.543 21.0-123.1 -84.5 152.3 23.1 -0.4 16.1 81 85 B I E -P 104 0C 9 -21,-0.6 23,-0.2 -23,-0.4 3,-0.1 -0.852 22.2-176.2-101.4 126.2 26.2 1.6 17.1 82 86 B A E + 0 0 45 21,-2.6 2,-0.3 -2,-0.5 22,-0.2 0.903 69.4 2.3 -82.6 -49.4 28.4 3.1 14.4 83 87 B K E -P 103 0C 110 20,-1.4 20,-2.4 -26,-0.1 2,-0.6 -0.998 57.4-140.7-145.1 147.9 31.1 4.7 16.5 84 88 B V E -P 102 0C 55 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.931 14.5-166.6-110.7 120.4 32.1 5.0 20.1 85 89 B F E -P 101 0C 44 16,-3.3 16,-2.6 -2,-0.6 2,-0.4 -0.855 4.9-170.0-111.4 95.1 33.5 8.4 21.2 86 90 B K E -P 100 0C 133 -2,-0.7 14,-0.2 14,-0.2 2,-0.1 -0.732 36.3-105.4 -84.0 127.3 35.2 8.1 24.6 87 91 B N > - 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