==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 01-MAY-97 3VGC . COMPND 2 MOLECULE: GAMMA CHYMOTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.S.STOLL,B.T.EGER,R.C.HYNES,V.MARTICHONOK,J.B.JONES,E.F.PAI . 236 3 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 64.8 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 . 76 32.2 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 . 0 0.0 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 . 21 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.4 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 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 2 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 0 101 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 169.3 14.2 19.0 23.7 2 2 A G + 0 0 0 114,-2.5 198,-2.8 197,-0.2 115,-0.1 0.526 360.0 105.1 60.5 10.7 13.4 18.0 27.3 3 3 A V - 0 0 95 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.849 60.6-150.4-124.6 93.6 9.7 18.1 27.2 4 4 A P - 0 0 5 0, 0.0 109,-0.1 0, 0.0 3,-0.1 -0.274 15.3-137.2 -61.1 147.1 8.2 14.5 27.1 5 5 A A S S+ 0 0 56 107,-0.7 2,-0.6 16,-0.2 108,-0.1 0.791 102.0 50.9 -73.1 -28.8 5.0 13.7 25.3 6 6 A I S S- 0 0 48 106,-0.5 -1,-0.2 15,-0.4 13,-0.1 -0.942 97.8-129.6-111.7 109.4 4.0 11.6 28.3 7 7 A Q - 0 0 134 -2,-0.6 15,-0.1 -3,-0.1 16,-0.1 -0.334 18.3-119.9 -65.3 134.3 4.5 13.6 31.5 8 8 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.390 18.8-145.1 -68.5 150.9 6.6 12.0 34.4 9 9 A V 0 0 98 -2,-0.1 10,-0.1 10,-0.0 13,-0.0 -0.988 360.0 360.0-122.9 112.9 4.7 11.5 37.7 10 10 A L 0 0 104 -2,-0.5 8,-0.0 8,-0.1 141,-0.0 -0.891 360.0 360.0-103.0 360.0 7.0 12.0 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 1 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.2 18.3 2.6 41.7 13 17 B V B 3 +A 182 0A 19 169,-3.3 169,-1.7 1,-0.2 128,-0.1 -0.744 360.0 6.4 -85.9 129.0 18.0 1.7 45.4 14 18 B N T 3 S+ 0 0 111 126,-0.7 -1,-0.2 -2,-0.4 126,-0.1 0.697 99.9 127.8 75.6 18.8 14.8 3.0 47.0 15 19 B G < - 0 0 28 -3,-0.7 2,-0.3 167,-0.1 136,-0.2 -0.121 51.0-123.8 -90.4-165.3 13.4 4.4 43.7 16 20 B E E -B 150 0B 92 134,-2.5 134,-2.8 -3,-0.1 2,-0.1 -0.934 30.7 -86.0-139.0 162.1 10.0 3.8 42.2 17 21 B E E -B 149 0B 97 -2,-0.3 132,-0.3 132,-0.2 2,-0.1 -0.450 47.5-126.8 -69.3 137.0 8.7 2.5 38.9 18 22 B A - 0 0 5 130,-2.9 -1,-0.1 -2,-0.1 130,-0.1 -0.358 25.4 -97.2 -82.7 164.4 8.4 5.2 36.2 19 23 B V > - 0 0 48 -10,-0.1 3,-2.2 1,-0.1 4,-0.2 -0.707 58.2-100.0 -77.4 127.9 5.3 6.1 34.1 20 24 B P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.304 104.3 8.1 -54.6 130.2 6.0 4.1 30.9 21 25 B G T 3 S+ 0 0 19 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.374 93.8 116.2 80.1 -1.1 7.4 6.4 28.2 22 26 B S S < S+ 0 0 0 -3,-2.2 3,-0.1 1,-0.3 -1,-0.1 0.540 75.6 47.5 -78.1 -9.4 7.8 9.4 30.5 23 27 B W S > S+ 0 0 8 -4,-0.2 3,-1.8 90,-0.1 -1,-0.3 -0.625 72.7 172.3-128.2 71.0 11.6 9.5 30.2 24 28 B P T 3 S+ 0 0 4 0, 0.0 91,-1.1 0, 0.0 41,-0.3 0.567 70.3 57.4 -58.2 -19.5 11.7 9.3 26.4 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-1.9 91,-0.1 2,-0.4 0.540 80.0 108.9 -88.8 -11.7 15.5 9.9 26.1 26 30 B Q E < +J 41 0C 7 -3,-1.8 39,-0.4 15,-0.2 40,-0.3 -0.528 46.7 178.8 -71.4 125.4 16.4 7.0 28.3 27 31 B V E -J 40 0C 0 13,-2.3 13,-1.1 -2,-0.4 2,-0.4 -0.813 23.3-131.6-122.4 163.0 18.0 4.2 26.4 28 32 B S E -JK 39 63C 0 35,-2.1 35,-2.8 -2,-0.3 2,-0.6 -0.947 11.4-145.2-114.7 131.4 19.4 0.8 27.5 29 33 B L E +JK 38 62C 0 9,-3.0 8,-2.4 -2,-0.4 9,-1.2 -0.916 28.1 178.6 -95.7 122.0 22.9 -0.4 26.4 30 34 B Q E -JK 36 61C 23 31,-2.6 31,-3.1 -2,-0.6 6,-0.2 -0.954 24.2-127.5-126.3 143.4 22.7 -4.1 25.9 31 35 B D > - 0 0 45 4,-2.0 3,-2.4 -2,-0.4 29,-0.1 -0.281 43.7 -89.6 -78.9 177.6 25.3 -6.6 24.8 32 36 B K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.696 127.7 64.1 -61.2 -17.7 24.7 -9.1 21.9 33 37 B T T 3 S- 0 0 118 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.574 118.8-110.9 -79.3 -15.5 23.4 -11.5 24.6 34 38 B G < + 0 0 47 -3,-2.4 2,-0.5 1,-0.3 -2,-0.1 0.507 69.7 145.6 92.3 10.4 20.5 -9.1 25.4 35 39 B F - 0 0 122 -4,-0.1 -4,-2.0 1,-0.0 2,-0.4 -0.679 48.0-132.9 -86.1 121.3 22.0 -8.3 28.8 36 40 B H E +J 30 0C 9 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.624 38.0 157.8 -73.4 124.2 21.5 -4.7 30.1 37 41 B F E + 0 0 43 -8,-2.4 149,-0.3 -2,-0.4 2,-0.3 0.594 58.3 6.7-123.5 -15.0 24.8 -3.3 31.4 38 42 B b E -J 29 0C 5 -9,-1.2 -9,-3.0 149,-0.1 -1,-0.3 -0.974 59.6-127.2-161.1 164.0 24.4 0.6 31.2 39 43 B G E +J 28 0C 2 149,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.557 24.9 176.9-106.5-179.2 22.0 3.4 30.5 40 44 B G E -J 27 0C 0 -13,-1.1 -13,-2.3 -2,-0.2 2,-0.4 -0.964 22.3-120.6-171.9 170.6 22.3 6.4 28.2 41 45 B S E -JL 26 49C 1 8,-2.5 8,-2.8 -2,-0.3 2,-0.3 -0.996 18.2-129.1-132.4 134.7 20.5 9.5 26.9 42 46 B L E + L 0 48C 0 -17,-1.9 75,-2.1 -2,-0.4 6,-0.2 -0.621 21.2 179.0 -77.5 129.1 19.5 10.5 23.4 43 47 B I E S- 0 0 20 4,-2.3 2,-0.3 1,-0.4 -1,-0.1 0.440 74.2 -21.4-107.3 -5.9 20.6 14.0 22.6 44 48 B N E > S- L 0 47C 39 3,-0.8 3,-0.6 71,-0.1 -1,-0.4 -0.914 89.5 -71.7 179.7 179.8 19.1 13.8 19.0 45 49 B E T 3 S+ 0 0 86 -2,-0.3 63,-3.1 1,-0.2 3,-0.1 0.641 127.4 36.0 -68.7 -10.6 18.2 11.0 16.6 46 50 B N T 3 S+ 0 0 54 61,-0.2 58,-2.9 1,-0.1 2,-0.4 0.496 108.2 62.1-118.9 -4.9 21.8 10.0 15.8 47 51 B W E < -LM 44 103C 12 -3,-0.6 -4,-2.3 56,-0.2 -3,-0.8 -0.981 50.4-170.3-133.9 137.8 23.8 10.4 19.1 48 52 B V E -LM 42 102C 0 54,-2.3 54,-2.9 -2,-0.4 2,-0.4 -0.936 14.3-146.5-121.1 139.2 23.6 8.9 22.5 49 53 B V E +LM 41 101C 2 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.899 32.9 149.3-104.8 136.1 25.5 10.2 25.6 50 54 B T E - M 0 100C 0 50,-2.5 50,-2.2 -2,-0.4 2,-0.3 -0.820 48.4 -70.3-147.7-172.2 26.7 7.6 28.1 51 55 B A > - 0 0 0 -12,-0.4 3,-1.2 48,-0.3 5,-0.3 -0.719 28.6-137.4 -93.5 142.0 29.6 7.0 30.6 52 56 B A G > S+ 0 0 6 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.858 102.9 62.3 -63.1 -33.4 33.0 6.3 29.4 53 57 B H G 3 S+ 0 0 65 1,-0.3 -1,-0.2 2,-0.1 135,-0.0 0.672 82.0 81.2 -70.8 -12.0 33.5 3.6 32.0 54 58 B b G < S- 0 0 14 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.720 89.6-144.0 -63.1 -21.5 30.6 1.6 30.5 55 59 B G < - 0 0 54 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.859 24.2-171.8 60.2 40.4 33.1 0.3 27.9 56 60 B V - 0 0 14 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.280 5.0-171.6 -63.8 143.2 30.7 0.2 25.0 57 61 B T > - 0 0 69 26,-0.0 3,-1.4 4,-0.0 24,-0.1 -0.816 41.2 -99.8-126.5 172.6 31.9 -1.4 21.7 58 62 B T T 3 S+ 0 0 87 -2,-0.3 23,-0.4 1,-0.3 -2,-0.0 0.494 117.8 68.6 -74.9 -2.9 30.2 -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 0.552 86.2 86.2 -87.6 -12.9 28.9 -5.0 19.0 60 64 B D S < S- 0 0 19 -3,-1.4 21,-0.6 -29,-0.1 2,-0.4 -0.462 73.0-134.8 -84.7 162.4 26.6 -3.6 21.7 61 65 B V E -KN 30 80C 34 -31,-3.1 -31,-2.6 -2,-0.1 2,-0.5 -0.930 3.0-136.2-126.0 146.0 23.1 -2.3 20.9 62 66 B V E -KN 29 79C 0 17,-2.7 17,-3.5 -2,-0.4 2,-0.6 -0.874 20.3-158.9 -95.9 123.7 21.2 0.8 21.9 63 67 B V E -KN 28 78C 1 -35,-2.8 -35,-2.1 -2,-0.5 2,-0.3 -0.943 12.5-177.0-111.4 117.7 17.6 0.0 22.9 64 68 B A E + N 0 77C 1 13,-2.7 13,-2.7 -2,-0.6 -37,-0.1 -0.783 60.2 28.9-110.0 154.9 15.2 3.0 22.7 65 69 B G S S+ 0 0 18 -39,-0.4 2,-0.3 48,-0.4 -1,-0.1 0.592 84.5 138.5 74.1 13.7 11.5 3.1 23.6 66 70 B E + 0 0 23 -40,-0.3 -1,-0.2 -3,-0.2 -45,-0.2 -0.651 19.6 156.9 -96.1 142.5 11.7 0.3 26.2 67 71 B F S S+ 0 0 13 -2,-0.3 81,-1.3 1,-0.3 2,-0.7 0.595 73.2 37.0-121.0 -55.6 10.0 0.3 29.6 68 72 B D B > -P 147 0D 24 79,-0.2 3,-2.0 1,-0.1 -1,-0.3 -0.883 62.2-164.5-107.7 105.7 9.7 -3.3 30.7 69 73 B Q T 3 S+ 0 0 43 77,-2.9 -1,-0.1 -2,-0.7 78,-0.1 0.589 90.3 57.7 -66.3 -8.7 12.8 -5.3 29.7 70 74 B G T 3 S+ 0 0 52 76,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.414 88.3 98.8 -99.5 0.3 10.8 -8.5 30.3 71 75 B S < - 0 0 39 -3,-2.0 3,-0.2 75,-0.1 -4,-0.1 -0.700 50.3-168.4 -93.3 142.8 8.1 -7.6 27.9 72 76 B S S S+ 0 0 131 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.544 80.6 63.3-101.2 -9.4 7.8 -8.9 24.3 73 77 B S S S+ 0 0 113 2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.230 70.5 109.6-104.2 13.7 5.1 -6.6 23.1 74 78 B E S S- 0 0 50 -3,-0.2 2,-1.6 -6,-0.2 -8,-0.1 -0.721 70.0-128.7 -88.4 139.9 6.7 -3.2 23.4 75 79 B K + 0 0 159 -2,-0.4 2,-0.2 -10,-0.1 -2,-0.1 -0.680 47.6 166.9 -86.6 83.9 7.5 -1.5 20.1 76 80 B I - 0 0 43 -2,-1.6 2,-0.5 -13,-0.0 -11,-0.2 -0.494 34.6-126.7 -95.1 168.8 11.2 -0.8 20.9 77 81 B Q E -N 64 0C 22 -13,-2.7 -13,-2.7 -2,-0.2 2,-0.8 -0.981 12.7-160.1-119.7 118.3 14.0 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 -0.894 20.8-167.3 -99.3 107.5 17.2 -1.7 18.6 79 83 B L E -N 62 0C 6 -17,-3.5 -17,-2.7 -2,-0.8 2,-0.2 -0.827 13.9-133.0-105.3 134.3 19.8 0.6 17.2 80 84 B K E -N 61 0C 135 -2,-0.4 25,-2.5 -19,-0.2 26,-1.0 -0.566 20.0-124.3 -81.4 150.5 23.3 -0.3 16.0 81 85 B I E -O 104 0C 8 -21,-0.6 23,-0.3 -23,-0.4 3,-0.1 -0.827 21.5-176.6-101.0 122.3 26.4 1.7 16.9 82 86 B A E S+ 0 0 45 21,-2.9 2,-0.3 -2,-0.5 22,-0.2 0.916 70.4 3.3 -79.7 -48.8 28.6 3.2 14.2 83 87 B K E -O 103 0C 111 20,-1.6 20,-2.4 -26,-0.1 2,-0.5 -0.995 55.3-141.7-144.7 154.0 31.2 4.7 16.4 84 88 B V E -O 102 0C 46 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.950 15.2-167.0-115.7 114.9 32.3 5.1 20.0 85 89 B F E -O 101 0C 31 16,-3.1 16,-2.5 -2,-0.5 2,-0.5 -0.833 5.7-169.3-106.8 91.9 33.8 8.5 20.9 86 90 B K E -O 100 0C 137 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.710 35.8-107.3 -82.3 122.6 35.4 8.2 24.4 87 91 B N > - 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