==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 26-NOV-84 4CHA . COMPND 2 MOLECULE: ALPHA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.TSUKADA,D.M.BLOW . 477 6 10 6 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 30.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 36 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 6.7 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 0 0 0 2 0 1 0 0 0 1 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 . 7 6 0 8 6 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 0 0 0 0 2 0 2 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 1 A a 0 0 111 0, 0.0 117,-0.2 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 161.5 -4.3 -5.4 61.5 2 2 A G + 0 0 0 115,-3.3 201,-2.8 200,-0.2 116,-0.1 0.636 360.0 111.7 56.5 26.2 -2.3 -7.8 59.3 3 3 A V - 0 0 105 114,-0.3 -1,-0.1 199,-0.2 114,-0.1 -0.869 59.4-146.9-129.6 92.1 -4.2 -11.1 59.9 4 4 A P - 0 0 12 0, 0.0 110,-0.1 0, 0.0 19,-0.1 -0.406 10.3-142.9 -62.7 141.7 -5.9 -12.0 56.7 5 5 A A S S+ 0 0 67 108,-0.7 2,-0.8 17,-0.2 109,-0.1 0.835 101.8 49.8 -66.9 -42.3 -9.3 -13.8 57.0 6 6 A I S S- 0 0 58 107,-0.6 -1,-0.2 16,-0.5 14,-0.1 -0.906 101.4-131.4 -99.5 104.9 -8.3 -15.9 54.0 7 7 A Q - 0 0 165 -2,-0.8 16,-0.1 1,-0.1 17,-0.1 -0.406 18.9-120.2 -67.8 130.7 -4.8 -17.1 54.9 8 8 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.266 24.2-132.8 -64.5 154.3 -2.2 -16.6 52.2 9 9 A V S S- 0 0 85 1,-0.1 11,-0.2 11,-0.1 14,-0.0 -0.958 72.9 -13.2-120.7 136.2 -0.4 -19.7 50.8 10 10 A L 0 0 138 -2,-0.5 -1,-0.1 1,-0.3 145,-0.1 0.669 360.0 360.0 51.5 28.6 3.4 -20.1 50.3 11 11 A S 0 0 19 143,-0.1 -1,-0.3 123,-0.1 8,-0.0 -0.298 360.0 360.0-173.0 360.0 3.8 -16.3 50.8 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 2 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.5 6.7 -9.8 39.7 14 17 B V B 3 +A 185 0A 17 171,-3.3 171,-1.5 1,-0.2 128,-0.2 -0.705 360.0 5.7 -89.2 135.2 9.0 -12.0 37.7 15 18 B N T 3 S+ 0 0 106 126,-0.8 -1,-0.2 -2,-0.4 127,-0.1 0.702 101.4 128.9 65.3 27.0 9.1 -15.7 38.8 16 19 B G < - 0 0 20 -3,-0.7 2,-0.3 169,-0.1 138,-0.2 -0.049 49.7-128.0 -90.8-166.9 6.2 -15.1 41.3 17 20 B E E -B 153 0B 69 136,-2.6 136,-2.5 -3,-0.1 2,-0.1 -0.982 29.1 -83.6-148.6 155.8 3.0 -17.1 41.6 18 21 B E E -B 152 0B 93 -2,-0.3 134,-0.3 134,-0.2 2,-0.1 -0.347 45.9-132.6 -63.2 133.5 -0.7 -16.5 41.7 19 22 B A - 0 0 4 132,-3.2 -1,-0.1 -2,-0.1 132,-0.1 -0.428 25.7 -98.6 -83.3 163.2 -2.0 -15.5 45.1 20 23 B V > - 0 0 49 -11,-0.2 3,-1.9 -2,-0.1 4,-0.2 -0.692 56.8 -98.7 -72.1 131.5 -5.1 -17.0 46.7 21 24 B P T 3 S+ 0 0 65 0, 0.0 47,-0.1 0, 0.0 -1,-0.1 -0.327 105.5 9.5 -59.2 135.0 -7.8 -14.4 46.1 22 25 B G T 3 S+ 0 0 17 45,-0.2 -16,-0.5 2,-0.2 -17,-0.2 0.348 92.6 114.5 77.8 -2.6 -8.4 -12.2 49.1 23 26 B S S < S+ 0 0 1 -3,-1.9 3,-0.1 1,-0.3 -1,-0.1 0.597 79.8 45.5 -75.0 -11.6 -5.3 -13.5 50.9 24 27 B W S > S+ 0 0 7 -4,-0.2 3,-1.4 90,-0.1 -1,-0.3 -0.748 75.0 170.9-129.7 72.6 -3.6 -10.0 50.7 25 28 B P T 3 + 0 0 2 0, 0.0 91,-1.2 0, 0.0 41,-0.2 0.588 69.9 57.9 -67.4 -13.3 -6.6 -8.0 51.7 26 29 B W T 3 S+ 0 0 0 89,-0.2 17,-2.1 91,-0.1 2,-0.2 0.593 80.2 112.3 -89.7 -17.2 -4.7 -4.7 52.0 27 30 B Q E < -J 42 0C 6 -3,-1.4 39,-0.5 15,-0.2 40,-0.4 -0.373 45.6-177.9 -62.8 129.4 -3.5 -4.8 48.4 28 31 B V E -JK 41 65C 0 13,-2.6 13,-1.2 -2,-0.2 2,-0.4 -0.871 22.2-138.1-126.2 160.3 -5.0 -2.1 46.2 29 32 B S E -JK 40 64C 0 35,-2.3 35,-2.8 -2,-0.3 2,-0.5 -0.952 15.7-145.5-115.2 131.8 -4.7 -1.2 42.5 30 33 B L E -JK 39 63C 0 9,-3.1 8,-2.3 -2,-0.4 9,-1.1 -0.924 19.9-169.6-101.4 124.0 -4.4 2.5 41.6 31 34 B Q E -JK 37 62C 32 31,-2.6 31,-2.7 -2,-0.5 6,-0.2 -0.898 13.2-137.0-117.0 146.5 -6.2 3.3 38.3 32 35 B D > - 0 0 12 4,-1.9 3,-1.3 -2,-0.3 29,-0.1 -0.154 43.7 -85.7 -86.9-171.0 -6.0 6.5 36.2 33 36 B K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.2 28,-0.0 0.788 128.4 62.0 -68.1 -25.2 -9.0 8.2 34.6 34 37 B T T 3 S- 0 0 64 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.612 122.2-108.2 -71.6 -16.1 -8.7 6.0 31.6 35 38 B G S < S+ 0 0 44 -3,-1.3 2,-0.5 1,-0.2 -2,-0.2 0.622 72.3 140.5 96.1 20.9 -9.4 3.0 34.0 36 39 B F - 0 0 51 240,-0.0 -4,-1.9 1,-0.0 2,-0.3 -0.844 55.3-119.8-110.2 139.2 -5.8 1.6 33.9 37 40 B H E +J 31 0C 22 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.381 39.9 157.1 -61.9 122.0 -3.6 0.2 36.6 38 41 B F E + 0 0 23 -8,-2.3 2,-0.3 1,-0.3 151,-0.2 0.537 64.2 4.1-121.8 -17.9 -0.4 2.3 37.0 39 42 B b E -J 30 0C 5 -9,-1.1 -9,-3.1 151,-0.1 -1,-0.3 -0.995 60.7-124.6-162.0 165.0 0.6 1.4 40.6 40 43 B G E +J 29 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.484 26.9 174.4-105.3 176.2 -0.2 -0.7 43.7 41 44 B G E -J 28 0C 0 -13,-1.2 -13,-2.6 -2,-0.2 2,-0.4 -0.960 23.5-117.4-170.4 175.0 -0.8 0.5 47.3 42 45 B S E -JL 27 50C 2 8,-2.4 8,-3.1 -2,-0.3 2,-0.3 -0.996 17.3-127.0-136.7 136.0 -1.7 -0.9 50.7 43 46 B L E + L 0 49C 0 -17,-2.1 75,-2.2 -2,-0.4 6,-0.2 -0.628 28.8 168.7 -75.2 132.5 -4.7 -0.2 53.0 44 47 B I S S+ 0 0 13 4,-2.4 2,-0.3 1,-0.4 5,-0.2 0.508 72.1 3.5-117.0 -17.0 -3.6 0.8 56.5 45 48 B N S S- 0 0 67 3,-1.2 -1,-0.4 71,-0.1 3,-0.3 -0.869 83.3 -95.3-152.5 168.3 -7.0 2.0 57.6 46 49 B E S S+ 0 0 83 -2,-0.3 63,-3.2 1,-0.2 3,-0.1 0.636 128.3 35.9 -70.7 -14.5 -10.6 2.1 56.3 47 50 B N S S+ 0 0 66 61,-0.2 58,-2.8 1,-0.1 2,-0.4 0.491 111.6 61.0-112.8 -9.8 -9.7 5.7 55.2 48 51 B W E - M 0 104C 12 -3,-0.3 -4,-2.4 56,-0.2 -3,-1.2 -0.974 47.9-170.2-136.6 146.9 -6.0 5.6 54.1 49 52 B V E -LM 43 103C 0 54,-2.0 54,-2.5 -2,-0.4 2,-0.5 -0.971 15.1-146.6-123.6 137.6 -3.8 4.0 51.6 50 53 B V E +LM 42 102C 2 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.2 -0.908 32.1 151.3-108.6 138.7 0.1 4.1 51.5 51 54 B T E - M 0 101C 0 50,-2.8 50,-2.2 -2,-0.5 2,-0.3 -0.769 47.8 -73.2-146.3-173.9 1.8 4.1 48.1 52 55 B A > - 0 0 1 -12,-0.4 3,-0.9 48,-0.2 5,-0.4 -0.715 28.6-136.8 -92.5 146.0 5.0 5.4 46.5 53 56 B A G > S+ 0 0 8 -2,-0.3 3,-1.6 1,-0.2 4,-0.1 0.802 102.4 65.9 -67.6 -32.1 5.5 9.1 45.9 54 57 B H G 3 S+ 0 0 5 1,-0.3 -1,-0.2 2,-0.1 333,-0.1 0.613 81.9 78.8 -67.8 -13.2 7.0 8.4 42.4 55 58 B b G < S- 0 0 4 -3,-0.9 332,-0.4 331,-0.1 -1,-0.3 0.637 92.0-142.3 -63.7 -22.3 3.6 7.0 41.3 56 59 B G < - 0 0 14 -3,-1.6 -2,-0.1 330,-0.2 -3,-0.1 0.811 26.5-171.2 58.4 38.5 2.4 10.6 40.9 57 60 B V - 0 0 5 -5,-0.4 2,-0.3 -4,-0.1 -1,-0.2 -0.325 5.8-174.4 -62.6 142.0 -1.1 10.0 42.2 58 61 B T > - 0 0 67 26,-0.0 3,-2.0 4,-0.0 24,-0.1 -0.817 44.9 -98.7-129.0 166.1 -3.7 12.8 41.9 59 62 B T T 3 S+ 0 0 81 1,-0.3 23,-0.4 -2,-0.3 -2,-0.1 0.524 120.4 70.1 -68.4 -0.6 -7.3 13.1 43.2 60 63 B S T 3 S+ 0 0 70 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.672 83.8 84.2 -85.5 -26.2 -8.2 12.0 39.6 61 64 B D S < S- 0 0 5 -3,-2.0 21,-0.6 -29,-0.1 2,-0.3 -0.398 73.4-135.7 -79.2 161.0 -6.9 8.5 40.2 62 65 B V E -KN 31 81C 37 -31,-2.7 -31,-2.6 19,-0.1 2,-0.5 -0.904 4.0-135.0-121.8 148.9 -9.1 5.8 41.8 63 66 B V E -KN 30 80C 0 17,-3.0 17,-3.4 -2,-0.3 2,-0.5 -0.904 18.9-160.2-102.0 129.0 -8.3 3.2 44.5 64 67 B V E -KN 29 79C 0 -35,-2.8 -35,-2.3 -2,-0.5 2,-0.3 -0.979 12.2-177.2-118.4 123.4 -9.6 -0.3 43.7 65 68 B A E +KN 28 78C 0 13,-2.2 13,-2.0 -2,-0.5 -37,-0.1 -0.830 58.9 27.1-119.0 154.3 -9.9 -2.7 46.6 66 69 B G S S+ 0 0 17 -39,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.689 84.1 145.3 70.7 24.7 -11.0 -6.4 46.9 67 70 B E + 0 0 28 -40,-0.4 -1,-0.3 -3,-0.2 -45,-0.2 -0.669 21.1 159.2 -95.3 147.9 -9.8 -7.0 43.4 68 71 B F + 0 0 22 1,-0.3 83,-0.9 -2,-0.3 2,-0.5 0.631 68.2 39.2-123.3 -66.0 -8.2 -10.2 42.2 69 72 B D B > -P 150 0D 30 81,-0.2 3,-0.9 1,-0.1 -1,-0.3 -0.827 55.6-162.5-100.3 124.2 -8.6 -10.4 38.4 70 73 B Q T 3 S+ 0 0 46 79,-2.7 80,-0.1 -2,-0.5 -1,-0.1 0.500 89.9 61.1 -79.5 -4.0 -8.2 -7.3 36.3 71 74 B G T 3 S+ 0 0 35 78,-0.1 -1,-0.2 3,-0.0 79,-0.1 0.490 73.6 133.0-100.5 -4.8 -9.9 -8.9 33.3 72 75 B S < - 0 0 58 -3,-0.9 3,-0.3 1,-0.1 0, 0.0 -0.211 57.6-141.7 -59.0 129.5 -13.3 -9.5 35.1 73 76 B S S S- 0 0 134 1,-0.4 2,-0.2 -2,-0.0 -1,-0.1 0.790 92.0 -24.3 -51.5 -34.9 -16.4 -8.5 33.3 74 77 B S S S+ 0 0 112 2,-0.0 -1,-0.4 0, 0.0 2,-0.2 -0.654 76.9 175.2 173.5 130.5 -17.5 -7.3 36.7 75 78 B E - 0 0 71 -3,-0.3 2,-1.4 -2,-0.2 -8,-0.1 -0.749 49.4 -82.7-132.0 170.3 -16.2 -8.6 40.0 76 79 B K S S+ 0 0 199 -2,-0.2 2,-0.2 -10,-0.1 -2,-0.0 -0.693 73.2 145.6 -90.6 91.5 -17.0 -7.5 43.6 77 80 B I - 0 0 55 -2,-1.4 2,-0.5 -10,-0.1 -11,-0.2 -0.721 47.2-130.0-119.4 172.1 -14.6 -4.6 43.9 78 81 B Q E -N 65 0C 38 -13,-2.0 -13,-2.2 -2,-0.2 2,-0.9 -0.988 13.5-159.8-125.5 113.4 -14.7 -1.3 45.6 79 82 B K E -N 64 0C 148 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.878 19.4-167.3-100.3 108.0 -13.7 1.7 43.5 80 83 B L E -N 63 0C 7 -17,-3.4 -17,-3.0 -2,-0.9 2,-0.2 -0.840 13.2-136.3-100.7 129.9 -12.8 4.4 46.0 81 84 B K E -N 62 0C 144 -2,-0.4 25,-2.6 -19,-0.2 26,-0.6 -0.449 20.6-123.3 -83.2 152.8 -12.3 8.1 45.2 82 85 B I E -O 105 0C 5 -21,-0.6 23,-0.3 -23,-0.4 3,-0.1 -0.816 20.9-173.7 -96.4 135.5 -9.4 10.0 46.7 83 86 B A E S- 0 0 53 21,-3.2 2,-0.3 -2,-0.4 22,-0.2 0.857 70.0 -0.2 -91.9 -49.2 -10.0 13.1 48.8 84 87 B K E -O 104 0C 112 20,-1.6 20,-2.7 -26,-0.1 2,-0.5 -0.999 57.1-139.3-150.5 146.5 -6.4 14.3 49.2 85 88 B V E -O 103 0C 28 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.910 12.3-166.7-105.9 128.8 -2.9 13.3 48.4 86 89 B F E -O 102 0C 29 16,-3.1 16,-2.8 -2,-0.5 2,-0.3 -0.885 9.6-175.1-118.1 92.6 -0.2 13.7 51.1 87 90 B K E -O 101 0C 129 -2,-0.6 2,-0.3 14,-0.2 14,-0.2 -0.646 35.5-107.7 -84.8 149.0 3.2 13.3 49.4 88 91 B N > - 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