==== 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 31-JUL-00 1GG6 . 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 . 238 3 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.5 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 . 74 31.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.3 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 3 1 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 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 0 112 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 168.5 13.9 19.0 23.2 2 2 A G + 0 0 0 114,-2.7 200,-2.3 199,-0.1 115,-0.1 0.452 360.0 107.4 66.9 6.6 13.2 18.0 26.7 3 3 A V - 0 0 99 113,-0.3 198,-0.1 198,-0.2 -1,-0.1 -0.843 59.7-146.0-120.0 96.2 9.4 17.8 26.8 4 4 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 109,-0.1 -0.274 10.5-140.5 -58.8 140.7 8.0 14.2 26.9 5 5 A A S S+ 0 0 65 107,-0.6 2,-0.8 1,-0.2 108,-0.1 0.853 101.8 52.3 -67.7 -35.4 4.8 13.6 25.0 6 6 A I S S- 0 0 44 106,-0.6 -1,-0.2 15,-0.4 13,-0.1 -0.899 100.1-130.2-104.3 105.8 3.9 11.4 27.9 7 7 A Q - 0 0 155 -2,-0.8 15,-0.1 -3,-0.1 16,-0.1 -0.325 17.0-125.4 -61.4 123.1 4.4 13.4 31.0 8 8 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.370 19.6-153.0 -67.9 148.9 6.4 11.8 33.8 9 9 A V 0 0 93 -2,-0.0 10,-0.2 0, 0.0 13,-0.1 -0.974 360.0 360.0-127.3 115.9 4.8 11.5 37.2 10 10 A L 0 0 93 -2,-0.5 8,-0.0 8,-0.1 143,-0.0 -0.726 360.0 360.0 -90.6 360.0 7.0 11.4 40.3 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,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.6 18.1 2.7 41.3 13 17 B V B 3 +A 184 0A 18 171,-3.1 171,-1.4 1,-0.2 128,-0.1 -0.744 360.0 5.1 -88.3 131.9 17.7 1.7 44.9 14 18 B N T 3 S+ 0 0 109 126,-0.6 -1,-0.2 -2,-0.4 126,-0.1 0.733 101.8 123.5 68.4 24.4 14.6 3.1 46.6 15 19 B G < - 0 0 28 -3,-0.7 2,-0.3 169,-0.1 138,-0.2 0.003 53.9-122.3 -92.3-154.9 13.2 4.5 43.4 16 20 B E E -B 152 0B 77 136,-2.3 136,-2.6 -3,-0.1 2,-0.1 -0.974 28.7 -83.4-150.6 160.5 9.9 3.8 41.8 17 21 B E E -B 151 0B 83 -2,-0.3 134,-0.2 134,-0.2 2,-0.1 -0.431 48.5-129.7 -66.9 137.8 8.5 2.5 38.5 18 22 B A - 0 0 3 132,-2.6 -1,-0.1 -2,-0.1 -8,-0.1 -0.455 25.9 -95.0 -86.9 161.4 8.2 5.1 35.8 19 23 B V > - 0 0 49 -10,-0.2 3,-2.2 -2,-0.1 4,-0.2 -0.616 60.6 -94.1 -71.2 130.0 5.1 5.9 33.7 20 24 B P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.226 104.6 1.5 -52.4 128.2 5.7 3.9 30.5 21 25 B G T 3 S+ 0 0 17 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.509 91.8 121.4 74.0 7.7 7.3 6.0 27.9 22 26 B S S < S+ 0 0 0 -3,-2.2 3,-0.1 1,-0.3 -1,-0.1 0.483 72.3 52.6 -81.3 -4.2 7.6 9.2 30.0 23 27 B W S > S+ 0 0 6 -4,-0.2 3,-1.8 90,-0.1 -1,-0.3 -0.633 71.2 172.7-127.4 69.1 11.4 9.4 29.7 24 28 B P T 3 S+ 0 0 2 0, 0.0 91,-0.8 0, 0.0 41,-0.3 0.645 72.6 55.8 -54.9 -22.1 11.5 9.2 25.8 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-1.8 91,-0.1 2,-0.4 0.660 80.9 108.1 -87.2 -17.0 15.3 9.9 25.6 26 30 B Q E < +J 41 0C 4 -3,-1.8 39,-0.5 15,-0.2 40,-0.3 -0.468 47.5 178.0 -66.2 118.7 16.1 6.9 27.9 27 31 B V E -J 40 0C 0 13,-2.4 13,-1.2 -2,-0.4 2,-0.5 -0.789 24.3-131.0-117.3 162.3 17.7 4.1 25.9 28 32 B S E -JK 39 63C 0 35,-2.2 35,-2.7 -2,-0.3 2,-0.6 -0.956 12.7-144.8-114.2 131.7 19.1 0.8 26.9 29 33 B L E +JK 38 62C 0 9,-3.2 8,-2.7 -2,-0.5 9,-1.2 -0.882 26.7 179.4 -96.8 120.2 22.5 -0.3 25.8 30 34 B Q E -JK 36 61C 16 31,-2.3 31,-2.9 -2,-0.6 6,-0.2 -0.934 22.3-129.1-122.7 146.4 22.5 -4.1 25.2 31 35 B D > - 0 0 42 4,-1.9 3,-2.5 -2,-0.3 29,-0.1 -0.236 47.5 -81.9 -82.5-179.7 25.3 -6.4 24.0 32 36 B K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.672 130.4 57.8 -59.2 -15.2 24.8 -8.9 21.2 33 37 B T T 3 S- 0 0 113 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.463 119.5-107.6 -92.5 -2.2 23.2 -11.4 23.6 34 38 B G < + 0 0 42 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.554 69.1 148.8 88.6 8.8 20.5 -8.9 24.6 35 39 B F - 0 0 131 -4,-0.1 -4,-1.9 1,-0.1 2,-0.5 -0.649 47.0-130.4 -80.6 125.6 21.9 -8.2 28.0 36 40 B H E +J 30 0C 22 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.630 38.9 159.1 -76.1 124.2 21.3 -4.7 29.3 37 41 B F E + 0 0 44 -8,-2.7 2,-0.3 -2,-0.5 151,-0.2 0.507 58.3 5.7-124.1 -8.0 24.6 -3.2 30.6 38 42 B b E -J 29 0C 5 -9,-1.2 -9,-3.2 151,-0.1 -1,-0.3 -0.987 61.5-120.7-168.1 161.5 24.1 0.6 30.5 39 43 B G E -J 28 0C 1 151,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.472 27.5-176.5-100.5 178.0 21.7 3.4 30.0 40 44 B G E -J 27 0C 0 -13,-1.2 -13,-2.4 -2,-0.2 2,-0.4 -0.970 18.6-128.4-166.0 167.0 21.9 6.2 27.5 41 45 B S E -JL 26 49C 1 8,-2.5 8,-3.1 -2,-0.3 2,-0.3 -0.991 16.4-133.0-133.9 128.6 20.2 9.4 26.4 42 46 B L E + L 0 48C 0 -17,-1.8 75,-2.5 -2,-0.4 6,-0.2 -0.616 20.7 178.0 -76.8 131.1 19.1 10.4 22.9 43 47 B I S S- 0 0 19 4,-2.2 2,-0.3 1,-0.4 -1,-0.1 0.479 72.9 -19.8-108.9 -10.0 20.1 14.0 22.1 44 48 B N S S- 0 0 40 3,-1.0 3,-0.5 71,-0.1 -1,-0.4 -0.934 89.4 -70.1-176.0-178.3 18.7 13.9 18.5 45 49 B E S S+ 0 0 85 -2,-0.3 63,-3.1 1,-0.2 3,-0.0 0.703 127.6 32.8 -64.7 -18.6 17.7 11.2 16.0 46 50 B N S S+ 0 0 58 61,-0.2 58,-2.8 1,-0.1 2,-0.4 0.490 108.7 65.3-117.4 -3.6 21.2 10.1 15.3 47 51 B W E - M 0 103C 13 -3,-0.5 -4,-2.2 56,-0.2 -3,-1.0 -0.967 49.2-169.5-131.5 140.7 23.2 10.5 18.5 48 52 B V E -LM 42 102C 0 54,-2.2 54,-2.6 -2,-0.4 2,-0.5 -0.970 13.3-148.5-123.3 135.6 23.1 9.0 21.9 49 53 B V E +LM 41 101C 1 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.2 -0.895 32.7 147.2-104.3 132.8 25.1 10.3 25.0 50 54 B T E - M 0 100C 0 50,-2.5 50,-2.4 -2,-0.5 2,-0.3 -0.790 50.3 -68.9-146.2-172.8 26.3 7.7 27.5 51 55 B A > - 0 0 0 -12,-0.4 3,-1.4 48,-0.3 5,-0.3 -0.696 30.5-137.3 -90.0 141.4 29.2 7.1 29.9 52 56 B A G > S+ 0 0 5 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.862 102.9 64.2 -63.1 -35.6 32.7 6.3 28.5 53 57 B H G 3 S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.1 137,-0.0 0.554 80.1 81.5 -67.6 -5.8 33.1 3.6 31.2 54 58 B b G < S- 0 0 14 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.622 91.5-144.5 -73.2 -10.5 30.2 1.7 29.6 55 59 B G < - 0 0 51 -3,-1.9 -2,-0.1 1,-0.1 -3,-0.1 0.806 24.9-170.8 51.0 39.3 32.9 0.5 27.1 56 60 B V - 0 0 13 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.269 8.0-175.5 -63.4 141.5 30.5 0.5 24.2 57 61 B T > - 0 0 67 26,-0.0 3,-1.7 4,-0.0 24,-0.1 -0.799 43.7 -98.8-128.1 171.5 31.6 -1.1 20.9 58 62 B T T 3 S+ 0 0 90 1,-0.3 23,-0.4 -2,-0.3 -2,-0.1 0.484 118.8 68.5 -73.4 0.2 29.8 -1.2 17.5 59 63 B S T 3 S+ 0 0 56 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.551 88.4 80.8 -92.0 -9.9 28.8 -4.8 18.3 60 64 B D S < S- 0 0 16 -3,-1.7 21,-0.7 -29,-0.1 2,-0.3 -0.480 74.6-137.1 -89.1 166.3 26.5 -3.4 21.0 61 65 B V E -KN 30 80C 30 -31,-2.9 -31,-2.3 -2,-0.1 2,-0.5 -0.930 5.3-132.5-129.9 152.1 23.0 -2.0 20.2 62 66 B V E -KN 29 79C 0 17,-2.8 17,-3.5 -2,-0.3 2,-0.6 -0.890 21.1-161.0-101.0 123.5 20.9 1.0 21.3 63 67 B V E -KN 28 78C 3 -35,-2.7 -35,-2.2 -2,-0.5 3,-0.3 -0.928 10.6-175.0-111.2 117.4 17.3 0.1 22.2 64 68 B A E + N 0 77C 0 13,-2.5 13,-2.4 -2,-0.6 -37,-0.1 -0.758 60.5 30.4-108.4 155.0 14.9 3.0 22.2 65 69 B G S S+ 0 0 17 -39,-0.5 2,-0.3 48,-0.4 -1,-0.2 0.644 82.9 140.5 76.5 16.6 11.2 3.0 23.2 66 70 B E + 0 0 28 -40,-0.3 -1,-0.2 -3,-0.3 -45,-0.2 -0.665 16.9 152.4 -96.3 148.3 11.6 0.3 25.9 67 71 B F S S+ 0 0 20 -2,-0.3 83,-1.6 1,-0.2 2,-0.8 0.500 73.2 38.2-130.3 -60.5 9.9 0.2 29.3 68 72 B D B > -P 149 0D 38 81,-0.2 3,-1.8 1,-0.1 81,-0.3 -0.869 60.9-169.1-102.8 104.8 9.6 -3.4 30.4 69 73 B Q T 3 S+ 0 0 47 79,-3.0 -1,-0.1 -2,-0.8 80,-0.1 0.589 88.7 58.4 -70.7 -7.6 12.6 -5.4 29.3 70 74 B G T 3 S+ 0 0 56 78,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.426 91.9 91.8 -98.1 -0.6 10.8 -8.6 30.1 71 75 B S < - 0 0 33 -3,-1.8 3,-0.2 77,-0.2 -4,-0.1 -0.738 51.5-170.5 -99.1 143.3 8.0 -7.7 27.7 72 76 B S S S+ 0 0 127 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.427 78.2 74.8-105.4 -3.8 7.8 -8.8 24.1 73 77 B S + 0 0 103 2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.276 68.7 105.0 -95.8 11.5 4.9 -6.6 23.2 74 78 B E S S- 0 0 39 -3,-0.2 2,-1.8 -6,-0.2 -8,-0.1 -0.747 71.2-130.6 -95.0 139.9 6.6 -3.2 23.1 75 79 B K + 0 0 199 -2,-0.4 2,-0.1 -10,-0.1 -2,-0.1 -0.532 46.3 167.5 -87.7 73.4 7.3 -1.5 19.8 76 80 B I - 0 0 66 -2,-1.8 2,-0.5 -13,-0.0 -11,-0.2 -0.305 34.8-128.5 -83.6 168.7 11.0 -0.8 20.5 77 81 B Q E -N 64 0C 43 -13,-2.4 -13,-2.5 -2,-0.1 2,-0.9 -0.968 12.6-159.4-122.0 111.4 13.7 0.3 18.0 78 82 B K E -N 63 0C 151 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.821 21.2-167.2 -92.0 103.4 16.9 -1.8 18.1 79 83 B L E -N 62 0C 14 -17,-3.5 -17,-2.8 -2,-0.9 2,-0.1 -0.812 14.9-132.3-103.2 131.5 19.4 0.6 16.5 80 84 B K E -N 61 0C 156 -2,-0.4 25,-2.4 -19,-0.2 2,-0.6 -0.444 20.3-126.0 -75.8 150.0 22.9 -0.3 15.3 81 85 B I E -O 104 0C 7 -21,-0.7 23,-0.2 -23,-0.4 3,-0.1 -0.875 22.1-176.5-101.2 120.6 25.9 1.8 16.3 82 86 B A E + 0 0 54 21,-2.4 2,-0.3 -2,-0.6 22,-0.2 0.891 69.5 7.8 -81.9 -42.2 28.0 3.1 13.4 83 87 B K E -O 103 0C 110 20,-1.6 20,-2.5 -26,-0.1 2,-0.5 -0.999 57.9-144.9-147.1 146.2 30.7 4.8 15.5 84 88 B V E -O 102 0C 47 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.944 12.9-167.2-112.6 118.8 31.8 5.2 19.1 85 89 B F E -O 101 0C 33 16,-3.2 16,-2.9 -2,-0.5 2,-0.5 -0.865 3.2-170.1-110.6 99.0 33.3 8.6 20.1 86 90 B K E -O 100 0C 134 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.773 36.1-108.3 -87.8 123.5 35.0 8.4 23.5 87 91 B N > - 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