==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 07-SEP-94 2GMT . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR K.KREUTTER,A.C.U.STEINMETZ,T.-C.LIANG,M.PROROK,R.ABELES,D.RI . 236 3 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 64.4 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 . 75 31.8 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 . 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 . 20 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.4 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 0 0 0 0 1 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 3 0 4 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 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 1 A a 0 0 109 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 168.3 53.5 90.2 72.5 2 2 A G + 0 0 1 114,-3.2 198,-3.2 197,-0.2 115,-0.1 0.526 360.0 104.4 63.5 11.9 52.7 91.0 76.1 3 3 A V - 0 0 107 113,-0.2 -1,-0.1 196,-0.2 113,-0.1 -0.866 59.9-149.0-123.8 96.1 52.6 94.9 76.0 4 4 A P - 0 0 13 0, 0.0 109,-0.1 0, 0.0 108,-0.1 -0.397 13.0-138.1 -65.7 149.9 49.1 96.2 76.0 5 5 A A S S+ 0 0 59 107,-0.7 2,-0.5 106,-0.2 108,-0.1 0.821 100.6 50.1 -72.6 -33.3 48.3 99.6 74.2 6 6 A I S S- 0 0 46 106,-0.6 -1,-0.1 15,-0.5 13,-0.1 -0.909 99.1-125.8-108.5 118.1 46.1 100.6 77.1 7 7 A Q - 0 0 158 -2,-0.5 2,-0.2 1,-0.1 16,-0.1 -0.473 15.8-126.3 -72.2 137.3 48.0 100.1 80.4 8 8 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.487 17.9-153.3 -77.7 151.4 46.6 98.1 83.1 9 9 A V 0 0 87 -2,-0.2 10,-0.2 10,-0.0 13,-0.0 -0.986 360.0 360.0-127.9 120.6 46.4 99.7 86.5 10 10 A L 0 0 130 -2,-0.5 123,-0.0 8,-0.1 141,-0.0 -0.308 360.0 360.0-114.4 360.0 46.4 97.4 89.5 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,-0.4 0.000 360.0 360.0 360.0 131.3 37.1 86.4 90.6 13 17 B V B 3 +A 182 0A 22 169,-2.4 169,-1.4 1,-0.2 128,-0.1 -0.807 360.0 15.5 -96.3 138.6 36.2 87.1 94.3 14 18 B N T 3 S+ 0 0 104 126,-0.6 -1,-0.2 -2,-0.4 127,-0.1 0.668 99.8 129.2 74.4 21.3 37.8 90.0 95.9 15 19 B G < - 0 0 29 -3,-0.6 2,-0.3 125,-0.1 136,-0.2 0.030 47.4-135.2 -87.2-163.4 38.8 91.4 92.6 16 20 B E E -B 150 0B 85 134,-1.5 134,-2.2 -3,-0.1 2,-0.2 -0.971 32.0 -78.7-151.2 165.3 38.3 94.9 91.1 17 21 B E E -B 149 0B 85 -2,-0.3 132,-0.2 132,-0.2 2,-0.1 -0.468 45.6-135.3 -71.3 130.5 37.3 96.3 87.9 18 22 B A - 0 0 4 130,-2.4 -1,-0.1 -2,-0.2 130,-0.1 -0.415 26.8 -98.4 -85.1 161.3 39.9 96.3 85.1 19 23 B V > - 0 0 50 -10,-0.2 3,-2.1 -2,-0.1 4,-0.2 -0.567 58.2 -94.7 -71.8 139.3 40.6 99.3 82.9 20 24 B P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.425 104.1 4.6 -68.3 131.9 38.8 98.5 79.8 21 25 B G T 3 S+ 0 0 18 -2,-0.2 -15,-0.5 45,-0.2 -16,-0.2 0.551 92.1 123.3 75.8 20.2 40.8 96.9 77.1 22 26 B S < + 0 0 0 -3,-2.1 3,-0.1 1,-0.3 -3,-0.0 0.534 69.7 49.1 -89.5 -10.2 43.8 96.6 79.4 23 27 B W S > S+ 0 0 6 -4,-0.2 3,-1.8 90,-0.1 -1,-0.3 -0.803 73.4 177.5-123.7 78.0 44.2 92.9 79.1 24 28 B P T 3 S+ 0 0 3 0, 0.0 91,-0.6 0, 0.0 41,-0.3 0.610 71.5 58.0 -60.2 -22.9 44.0 92.6 75.4 25 29 B W T 3 S+ 0 0 1 89,-0.2 17,-2.4 91,-0.1 2,-0.4 0.474 78.9 114.7 -86.0 -7.2 44.6 88.9 75.1 26 30 B Q E < -J 41 0C 5 -3,-1.8 39,-0.5 15,-0.2 40,-0.4 -0.584 43.8-179.5 -70.5 120.7 41.6 88.2 77.2 27 31 B V E -JK 40 64C 0 13,-1.8 13,-1.4 -2,-0.4 2,-0.5 -0.776 22.0-134.8-119.8 158.3 38.8 86.4 75.3 28 32 B S E -JK 39 63C 0 35,-2.5 35,-2.1 -2,-0.3 2,-0.6 -0.973 12.0-146.9-112.3 127.0 35.4 85.1 76.4 29 33 B L E -JK 38 62C 0 9,-3.3 8,-2.6 -2,-0.5 9,-1.3 -0.882 26.0-176.1 -96.6 123.1 34.3 81.7 75.4 30 34 B Q E -JK 36 61C 24 31,-3.2 31,-2.7 -2,-0.6 6,-0.2 -0.906 22.4-128.6-125.3 145.7 30.5 81.7 74.8 31 35 B D > - 0 0 44 4,-2.2 3,-2.7 -2,-0.4 29,-0.1 -0.256 42.7 -94.3 -80.6 176.7 28.0 79.1 73.9 32 36 B K T 3 S+ 0 0 170 1,-0.3 -1,-0.1 2,-0.1 28,-0.0 0.830 127.9 61.9 -65.9 -19.4 25.6 79.5 71.0 33 37 B T T 3 S- 0 0 119 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.542 120.1-113.0 -75.5 -10.1 23.1 80.9 73.5 34 38 B G < + 0 0 44 -3,-2.7 2,-0.5 1,-0.3 -2,-0.1 0.400 69.2 142.9 86.7 4.3 25.6 83.7 74.2 35 39 B F - 0 0 119 1,-0.1 -4,-2.2 -5,-0.0 -1,-0.3 -0.664 50.9-128.2 -79.8 119.2 26.3 82.6 77.7 36 40 B H E +J 30 0C 9 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.440 38.8 160.1 -63.2 123.0 30.0 83.0 78.9 37 41 B F E + 0 0 49 -8,-2.6 2,-0.3 1,-0.3 149,-0.3 0.571 59.0 11.4-123.1 -14.5 31.3 79.7 80.3 38 42 B b E -J 29 0C 6 -9,-1.3 -9,-3.3 149,-0.1 -1,-0.3 -0.999 61.6-125.9-161.1 154.5 35.0 80.1 80.1 39 43 B G E -J 28 0C 2 149,-2.8 12,-0.5 -2,-0.3 2,-0.3 -0.554 25.0-179.8-100.0 170.9 38.0 82.5 79.5 40 44 B G E -J 27 0C 0 -13,-1.4 -13,-1.8 -2,-0.2 2,-0.3 -0.908 20.7-127.6-158.4 171.0 40.9 82.1 77.0 41 45 B S E -JL 26 49C 2 8,-1.9 8,-2.8 -2,-0.3 2,-0.3 -0.970 17.6-130.9-135.2 126.4 44.0 84.0 75.9 42 46 B L E + L 0 48C 0 -17,-2.4 75,-2.5 -2,-0.3 6,-0.2 -0.596 24.0 176.6 -70.7 134.5 45.0 85.0 72.3 43 47 B I S S- 0 0 17 4,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.430 73.1 -7.2-113.0 -6.8 48.6 83.9 71.7 44 48 B N S S- 0 0 42 3,-1.2 3,-0.4 71,-0.1 -1,-0.3 -0.934 87.0 -84.8-170.6 176.5 48.4 85.0 68.1 45 49 B E S S+ 0 0 86 -2,-0.3 63,-3.1 1,-0.2 3,-0.1 0.561 126.2 37.5 -75.0 -6.8 45.9 86.3 65.7 46 50 B N S S+ 0 0 68 61,-0.2 58,-3.6 1,-0.1 2,-0.3 0.419 110.3 55.3-116.9 -8.9 44.9 82.8 64.8 47 51 B W E - M 0 103C 14 -3,-0.4 -4,-2.1 56,-0.2 -3,-1.2 -0.975 51.7-164.2-136.1 146.6 45.1 80.8 68.1 48 52 B V E -LM 42 102C 0 54,-2.2 54,-2.6 -2,-0.3 2,-0.4 -0.965 13.8-143.6-123.5 137.5 43.6 80.9 71.5 49 53 B V E +LM 41 101C 3 -8,-2.8 -8,-1.9 -2,-0.4 2,-0.3 -0.867 32.9 150.9-102.8 138.7 44.8 79.0 74.6 50 54 B T E - M 0 100C 0 50,-2.0 50,-2.9 -2,-0.4 2,-0.4 -0.912 49.9 -72.4-147.3 177.9 42.2 77.8 77.1 51 55 B A > - 0 0 1 -12,-0.5 3,-1.5 -2,-0.3 48,-0.3 -0.651 33.0-138.0 -78.3 129.4 41.6 75.0 79.7 52 56 B A G > S+ 0 0 6 -2,-0.4 3,-1.7 1,-0.2 4,-0.3 0.879 101.4 62.0 -51.3 -42.4 41.0 71.5 78.2 53 57 B H G 3 S+ 0 0 74 1,-0.3 -1,-0.2 2,-0.1 135,-0.0 0.555 80.6 81.4 -65.4 -11.7 38.2 70.9 80.8 54 58 B b G < S- 0 0 16 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.692 91.1-145.0 -63.8 -22.5 36.2 73.8 79.5 55 59 B G < - 0 0 50 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.905 23.7-172.7 57.1 53.3 35.0 71.3 76.8 56 60 B V - 0 0 14 -5,-0.3 2,-0.3 -4,-0.3 -1,-0.1 -0.338 2.1-166.3 -73.3 152.2 34.8 73.8 74.0 57 61 B T > - 0 0 68 26,-0.0 3,-1.2 -2,-0.0 24,-0.1 -0.820 38.7 -97.7-130.7 176.6 33.4 72.7 70.7 58 62 B T T 3 S+ 0 0 85 -2,-0.3 23,-0.5 1,-0.3 -2,-0.0 0.573 120.7 62.7 -65.4 -16.1 33.2 74.0 67.2 59 63 B S T 3 S+ 0 0 68 21,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.699 87.9 86.8 -86.3 -17.6 29.9 75.4 67.9 60 64 B D S < S- 0 0 18 -3,-1.2 21,-0.6 -29,-0.1 2,-0.4 -0.248 72.7-127.3 -76.5 170.7 31.1 77.8 70.7 61 65 B V E -KN 30 80C 37 -31,-2.7 -31,-3.2 19,-0.1 2,-0.5 -0.983 2.0-139.5-135.0 138.6 32.4 81.3 70.0 62 66 B V E -KN 29 79C 0 17,-2.2 17,-4.1 -2,-0.4 2,-0.5 -0.750 21.0-165.5 -89.4 116.3 35.5 83.2 70.7 63 67 B V E -KN 28 78C 1 -35,-2.1 -35,-2.5 -2,-0.5 2,-0.3 -0.954 8.4-175.7-115.0 126.5 34.8 86.8 71.6 64 68 B A E +KN 27 77C 0 13,-2.7 13,-2.0 -2,-0.5 -37,-0.1 -0.848 58.5 28.9-119.7 155.8 37.6 89.3 71.7 65 69 B G S S+ 0 0 22 -39,-0.5 2,-0.3 48,-0.3 -1,-0.1 0.607 81.5 145.8 70.7 17.2 37.9 93.0 72.6 66 70 B E + 0 0 22 -40,-0.4 -1,-0.2 -3,-0.2 -45,-0.2 -0.702 19.3 158.7 -93.2 140.9 35.1 92.7 75.2 67 71 B F S S+ 0 0 17 -2,-0.3 81,-1.6 1,-0.2 2,-0.6 0.643 73.3 28.8-113.3 -62.8 35.0 94.7 78.5 68 72 B D B > -P 147 0D 37 79,-0.2 3,-1.1 1,-0.1 -1,-0.2 -0.923 61.0-162.0-111.6 112.7 31.3 94.8 79.6 69 73 B Q T 3 S+ 0 0 45 77,-2.3 -1,-0.1 -2,-0.6 78,-0.1 0.551 91.9 58.7 -67.8 -14.9 29.2 91.9 78.5 70 74 B G T 3 S+ 0 0 53 76,-0.1 -1,-0.3 -3,-0.0 77,-0.1 0.673 89.3 96.0 -85.6 -24.5 26.1 93.8 79.2 71 75 B S < - 0 0 45 -3,-1.1 -4,-0.0 75,-0.1 0, 0.0 -0.245 48.2-174.5 -69.5 153.4 27.1 96.5 76.7 72 76 B S S S+ 0 0 125 3,-0.0 -1,-0.1 1,-0.0 -3,-0.1 0.345 78.0 70.7-126.0 3.3 26.0 96.6 73.1 73 77 B S + 0 0 108 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.411 69.6 109.6-102.2 -1.2 28.1 99.5 72.1 74 78 B E S S- 0 0 53 -6,-0.2 2,-1.8 1,-0.1 -8,-0.1 -0.619 73.8-129.1 -79.6 135.0 31.3 97.7 72.2 75 79 B K + 0 0 188 -2,-0.3 -1,-0.1 -10,-0.1 -2,-0.0 -0.247 48.3 177.0 -72.8 47.7 33.1 97.0 68.8 76 80 B I - 0 0 46 -2,-1.8 2,-0.4 1,-0.1 -11,-0.2 -0.015 28.6-133.0 -54.8 162.5 33.5 93.3 69.8 77 81 B Q E -N 64 0C 40 -13,-2.0 -13,-2.7 2,-0.0 2,-0.7 -0.991 14.2-163.9-125.8 107.5 34.9 90.5 67.6 78 82 B K E -N 63 0C 148 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.886 18.0-168.0 -98.1 108.2 32.9 87.2 67.4 79 83 B L E -N 62 0C 12 -17,-4.1 -17,-2.2 -2,-0.7 2,-0.1 -0.890 15.7-129.0-109.7 139.0 35.2 84.7 66.0 80 84 B K E -N 61 0C 151 -2,-0.5 25,-2.3 -19,-0.2 26,-0.9 -0.444 20.1-126.4 -82.4 150.0 34.4 81.2 64.8 81 85 B I E -O 104 0C 7 -21,-0.6 23,-0.2 -23,-0.5 3,-0.1 -0.868 22.2-178.3-101.4 117.2 36.3 78.1 65.9 82 86 B A E - 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