==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-AUG-00 1GGD . COMPND 2 MOLECULE: GAMMA CHYMOTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.NEIDHART,Y.WEI,C.CASSIDY,J.LIN,W.W.CLELAND,P.A.FREY . 237 4 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 64.6 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 31.6 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 . 22 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.9 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 . 4 2 1 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 0 108 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 166.7 14.1 18.8 23.8 2 2 A G + 0 0 0 114,-2.5 198,-2.6 197,-0.2 115,-0.1 0.543 360.0 106.2 62.8 13.5 13.3 17.9 27.4 3 3 A V - 0 0 106 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.801 58.9-150.3-126.9 91.3 9.5 17.9 27.2 4 4 A P - 0 0 10 0, 0.0 109,-0.1 0, 0.0 18,-0.1 -0.254 12.7-141.9 -59.3 141.6 8.0 14.3 27.3 5 5 A A S S+ 0 0 61 107,-0.6 2,-0.7 1,-0.2 108,-0.1 0.815 99.9 52.4 -71.9 -31.5 4.8 13.7 25.4 6 6 A I S S- 0 0 46 106,-0.5 -1,-0.2 15,-0.4 13,-0.1 -0.920 98.0-131.3-106.8 107.6 3.8 11.4 28.3 7 7 A Q - 0 0 159 -2,-0.7 15,-0.1 1,-0.1 16,-0.1 -0.359 17.7-124.0 -64.6 129.0 4.2 13.4 31.5 8 8 A P - 0 0 23 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.425 17.3-148.0 -71.9 148.8 6.2 11.7 34.3 9 9 A V 0 0 95 1,-0.1 10,-0.2 -2,-0.1 13,-0.0 -0.971 360.0 360.0-121.5 115.2 4.5 11.3 37.7 10 10 A L 0 0 113 -2,-0.5 -1,-0.1 8,-0.1 142,-0.1 0.836 360.0 360.0-106.7 360.0 6.8 11.4 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 0.000 360.0 360.0 360.0 126.0 17.9 2.5 41.9 13 17 B V B 3 +A 182 0A 17 169,-3.2 169,-1.4 1,-0.2 128,-0.1 -0.793 360.0 3.6 -91.7 127.7 17.5 1.5 45.5 14 18 B N T 3 S+ 0 0 110 126,-0.7 -1,-0.2 -2,-0.5 126,-0.1 0.699 100.9 126.9 73.0 21.4 14.2 2.8 47.1 15 19 B G < - 0 0 27 -3,-0.6 2,-0.3 167,-0.1 136,-0.2 -0.050 52.0-121.6 -89.8-161.0 13.0 4.3 43.9 16 20 B E E -B 150 0B 90 134,-2.6 134,-2.8 -3,-0.1 2,-0.1 -0.955 28.4 -84.3-143.9 161.6 9.6 3.7 42.2 17 21 B E E -B 149 0B 91 -2,-0.3 132,-0.2 132,-0.2 2,-0.1 -0.431 47.9-130.4 -66.3 135.5 8.2 2.4 39.0 18 22 B A - 0 0 3 130,-2.7 -1,-0.1 -2,-0.1 130,-0.1 -0.467 25.9 -96.0 -86.4 160.3 8.0 5.1 36.3 19 23 B V > - 0 0 48 -10,-0.2 3,-2.4 -2,-0.1 4,-0.2 -0.636 59.9 -95.4 -72.1 127.2 5.0 5.9 34.2 20 24 B P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.186 104.8 3.4 -49.5 127.6 5.6 3.9 31.0 21 25 B G T 3 S+ 0 0 17 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.468 92.3 120.2 76.1 4.3 7.3 6.1 28.3 22 26 B S S < S+ 0 0 0 -3,-2.4 3,-0.1 1,-0.3 -1,-0.1 0.549 73.3 50.7 -78.6 -8.7 7.6 9.2 30.6 23 27 B W S > S+ 0 0 6 -4,-0.2 3,-1.7 1,-0.1 -1,-0.3 -0.660 72.2 173.2-126.6 72.4 11.4 9.4 30.3 24 28 B P T 3 S+ 0 0 2 0, 0.0 91,-0.8 0, 0.0 41,-0.3 0.644 71.2 56.7 -56.3 -24.6 11.6 9.2 26.5 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-1.9 91,-0.1 2,-0.3 0.619 80.8 108.6 -85.7 -14.0 15.4 9.8 26.2 26 30 B Q E < +J 41 0C 5 -3,-1.7 39,-0.5 15,-0.2 40,-0.3 -0.490 46.8 177.8 -69.3 123.2 16.2 6.9 28.5 27 31 B V E -JK 40 64C 0 13,-2.3 13,-1.2 -2,-0.3 2,-0.4 -0.820 24.0-130.8-121.8 163.2 17.8 4.0 26.6 28 32 B S E -JK 39 63C 0 35,-2.3 35,-2.8 -2,-0.3 2,-0.6 -0.953 12.3-145.2-115.5 132.2 19.2 0.7 27.6 29 33 B L E +JK 38 62C 0 9,-3.1 8,-2.6 -2,-0.4 9,-1.2 -0.881 26.4 179.0 -97.7 120.6 22.6 -0.5 26.5 30 34 B Q E -JK 36 61C 29 31,-2.7 31,-3.2 -2,-0.6 6,-0.2 -0.939 22.5-131.7-124.0 144.6 22.6 -4.3 26.0 31 35 B D > - 0 0 43 4,-2.0 3,-2.1 -2,-0.4 29,-0.1 -0.247 46.2 -84.7 -82.0-179.1 25.3 -6.7 24.8 32 36 B K T 3 S+ 0 0 169 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.681 127.7 61.1 -62.8 -17.5 24.7 -9.3 22.1 33 37 B T T 3 S- 0 0 113 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.511 119.3-108.2 -85.6 -4.7 23.3 -11.7 24.6 34 38 B G S < S+ 0 0 44 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.489 70.1 147.2 91.8 5.5 20.5 -9.3 25.4 35 39 B F - 0 0 124 1,-0.0 -4,-2.0 2,-0.0 2,-0.4 -0.626 46.4-133.5 -80.3 125.0 21.9 -8.4 28.9 36 40 B H E +J 30 0C 15 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.648 37.2 158.7 -77.8 125.5 21.3 -4.9 30.1 37 41 B F E + 0 0 43 -8,-2.6 2,-0.3 -2,-0.4 149,-0.3 0.534 57.8 7.7-125.0 -11.9 24.6 -3.4 31.5 38 42 B b E -J 29 0C 5 -9,-1.2 -9,-3.1 149,-0.1 -1,-0.3 -0.987 60.5-126.3-162.8 163.7 24.2 0.4 31.3 39 43 B G E +J 28 0C 2 149,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.538 24.8 179.2-107.2 178.2 21.8 3.2 30.7 40 44 B G E -J 27 0C 0 -13,-1.2 -13,-2.3 -2,-0.2 2,-0.4 -0.959 20.8-123.4-166.9 171.8 22.1 6.2 28.3 41 45 B S E -JL 26 49C 2 8,-2.4 8,-2.8 -2,-0.3 2,-0.4 -0.997 17.3-129.6-134.2 134.0 20.3 9.3 27.1 42 46 B L E + L 0 48C 0 -17,-1.9 75,-2.2 -2,-0.4 6,-0.2 -0.651 21.5 178.4 -78.8 130.2 19.3 10.3 23.6 43 47 B I E S- 0 0 20 4,-2.1 2,-0.3 1,-0.4 -1,-0.1 0.509 73.0 -20.1-106.8 -10.2 20.3 13.9 22.8 44 48 B N E > S- L 0 47C 42 3,-0.9 3,-0.6 71,-0.1 -1,-0.4 -0.927 89.2 -70.8-175.6-179.0 19.0 13.8 19.2 45 49 B E T 3 S+ 0 0 88 -2,-0.3 63,-2.9 1,-0.2 61,-0.0 0.742 127.4 34.4 -63.3 -23.1 18.1 11.2 16.7 46 50 B N T 3 S+ 0 0 67 61,-0.2 58,-2.5 1,-0.1 2,-0.4 0.482 108.4 65.4-112.0 -2.5 21.6 10.1 16.0 47 51 B W E < -LM 44 103C 12 -3,-0.6 -4,-2.1 56,-0.2 -3,-0.9 -0.968 48.4-171.1-132.8 141.5 23.5 10.4 19.3 48 52 B V E -LM 42 102C 0 54,-2.2 54,-2.9 -2,-0.4 2,-0.4 -0.974 14.2-147.7-125.3 136.2 23.4 8.8 22.7 49 53 B V E +LM 41 101C 2 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.874 31.9 148.4-103.4 136.9 25.3 10.0 25.8 50 54 B T E - M 0 100C 0 50,-2.5 50,-2.5 -2,-0.4 2,-0.3 -0.827 49.8 -69.5-149.3-174.1 26.5 7.5 28.3 51 55 B A > - 0 0 1 -12,-0.4 3,-1.3 48,-0.3 5,-0.3 -0.694 30.9-138.2 -89.1 139.2 29.3 6.8 30.8 52 56 B A G > S+ 0 0 7 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 0.861 102.1 62.7 -63.1 -34.0 32.8 6.1 29.4 53 57 B H G 3 S+ 0 0 36 1,-0.3 -1,-0.3 2,-0.1 135,-0.0 0.613 80.7 81.6 -69.8 -8.4 33.3 3.4 32.0 54 58 B b G < S- 0 0 16 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.677 91.0-143.7 -68.5 -14.5 30.4 1.4 30.6 55 59 B G < - 0 0 54 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.854 24.1-170.2 54.7 42.1 33.0 0.2 28.0 56 60 B V - 0 0 14 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.269 4.8-169.1 -63.4 145.7 30.6 0.1 25.1 57 61 B T > - 0 0 69 26,-0.0 3,-1.6 4,-0.0 24,-0.1 -0.818 40.1-101.1-128.0 170.1 31.7 -1.5 21.8 58 62 B T T 3 S+ 0 0 86 -2,-0.3 23,-0.4 1,-0.3 -2,-0.1 0.509 118.9 66.7 -72.0 -3.1 30.1 -1.5 18.3 59 63 B S T 3 S+ 0 0 71 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.532 86.4 88.9 -91.0 -10.5 28.8 -5.0 19.1 60 64 B D S < S- 0 0 16 -3,-1.6 21,-0.6 -29,-0.1 2,-0.4 -0.419 72.5-132.6 -83.9 164.5 26.5 -3.6 21.8 61 65 B V E -KN 30 80C 40 -31,-3.2 -31,-2.7 19,-0.1 2,-0.6 -0.951 0.6-140.5-125.7 141.3 23.0 -2.4 21.1 62 66 B V E -KN 29 79C 0 17,-2.6 17,-3.7 -2,-0.4 2,-0.6 -0.869 19.2-161.1 -97.6 123.3 21.0 0.7 22.0 63 67 B V E -KN 28 78C 1 -35,-2.8 -35,-2.3 -2,-0.6 2,-0.3 -0.931 11.3-176.3-110.5 118.8 17.4 -0.1 22.9 64 68 B A E +KN 27 77C 0 13,-2.6 13,-2.4 -2,-0.6 -37,-0.1 -0.796 58.9 29.2-113.2 155.3 15.0 2.9 22.9 65 69 B G S S+ 0 0 16 -39,-0.5 2,-0.3 48,-0.3 -1,-0.2 0.623 83.7 140.9 75.8 15.0 11.3 3.1 23.8 66 70 B E + 0 0 23 -40,-0.3 -1,-0.2 -3,-0.3 -45,-0.2 -0.655 19.5 155.3 -95.1 145.9 11.5 0.4 26.3 67 71 B F S S+ 0 0 21 -2,-0.3 81,-1.6 1,-0.2 2,-0.7 0.570 73.7 37.4-125.7 -58.1 9.7 0.2 29.7 68 72 B D B > -P 147 0D 36 79,-0.2 3,-2.0 1,-0.1 79,-0.2 -0.882 59.8-167.3-106.3 104.1 9.4 -3.4 30.7 69 73 B Q T 3 S+ 0 0 47 77,-3.0 -1,-0.1 -2,-0.7 78,-0.1 0.577 90.0 59.9 -66.8 -6.7 12.4 -5.4 29.7 70 74 B G T 3 S+ 0 0 55 76,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.481 88.2 92.8 -98.5 -4.3 10.3 -8.5 30.4 71 75 B S < - 0 0 38 -3,-2.0 3,-0.1 75,-0.1 -4,-0.1 -0.689 50.2-170.3 -94.1 144.4 7.6 -7.7 27.9 72 76 B S S S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.440 80.8 67.2-106.9 -4.8 7.6 -8.9 24.3 73 77 B S S S+ 0 0 104 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.389 71.4 109.7 -99.1 3.4 4.7 -6.7 23.1 74 78 B E S S- 0 0 48 -6,-0.2 2,-1.5 -3,-0.1 -8,-0.1 -0.583 71.7-126.3 -81.1 141.6 6.5 -3.3 23.4 75 79 B K + 0 0 197 -2,-0.2 2,-0.2 -10,-0.1 -1,-0.1 -0.683 47.9 168.2 -87.6 87.0 7.3 -1.4 20.2 76 80 B I - 0 0 49 -2,-1.5 2,-0.5 -13,-0.0 -11,-0.2 -0.584 33.6-131.9-100.4 163.3 11.0 -0.9 20.9 77 81 B Q E -N 64 0C 42 -13,-2.4 -13,-2.6 -2,-0.2 2,-0.8 -0.963 12.0-161.6-118.2 115.5 13.8 0.3 18.6 78 82 B K E -N 63 0C 152 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.868 19.8-166.1 -97.3 109.5 17.0 -1.8 18.7 79 83 B L E -N 62 0C 9 -17,-3.7 -17,-2.6 -2,-0.8 2,-0.2 -0.828 14.4-132.0-107.4 136.5 19.7 0.5 17.2 80 84 B K E -N 61 0C 152 -2,-0.4 25,-2.7 -19,-0.2 26,-0.7 -0.483 21.7-124.5 -79.9 149.3 23.2 -0.4 16.0 81 85 B I E -O 104 0C 7 -21,-0.6 23,-0.2 -23,-0.4 3,-0.1 -0.846 21.6-175.3 -99.3 124.4 26.2 1.6 17.1 82 86 B A E - 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