==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 01-MAY-97 2VGC . 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) . 10218.0 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 . 74 31.4 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 10.6 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 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 0 104 0, 0.0 116,-0.3 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 162.4 14.2 18.8 23.7 2 2 A G + 0 0 0 114,-2.8 198,-2.8 197,-0.2 115,-0.1 0.466 360.0 102.2 68.2 0.1 13.4 18.0 27.3 3 3 A V - 0 0 99 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.892 61.4-149.4-120.9 98.4 9.6 18.0 27.2 4 4 A P - 0 0 3 0, 0.0 109,-0.1 0, 0.0 18,-0.1 -0.304 14.7-138.3 -60.8 148.9 8.2 14.4 27.1 5 5 A A S S+ 0 0 59 107,-0.7 2,-0.7 16,-0.2 108,-0.1 0.750 101.7 54.0 -77.4 -28.5 4.9 13.7 25.3 6 6 A I S S- 0 0 47 106,-0.5 -1,-0.2 15,-0.5 13,-0.1 -0.947 98.0-130.3-109.6 108.7 4.0 11.5 28.3 7 7 A Q - 0 0 127 -2,-0.7 15,-0.1 1,-0.1 16,-0.1 -0.428 18.4-123.9 -63.9 121.7 4.4 13.6 31.4 8 8 A P - 0 0 22 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.396 18.5-146.8 -66.8 143.4 6.5 11.9 34.1 9 9 A V 0 0 98 1,-0.1 10,-0.1 -2,-0.1 13,-0.1 -0.979 360.0 360.0-116.6 114.5 4.7 11.5 37.5 10 10 A L 0 0 96 -2,-0.6 -1,-0.1 8,-0.1 142,-0.1 0.817 360.0 360.0-100.9 360.0 7.0 11.8 40.5 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 1 0, 0.0 3,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 117.1 18.3 2.6 41.6 13 17 B V B 3 +A 182 0A 20 169,-3.3 169,-1.7 1,-0.2 128,-0.2 -0.737 360.0 6.6 -83.9 127.9 18.0 1.6 45.3 14 18 B N T 3 S+ 0 0 113 126,-0.8 -1,-0.2 -2,-0.4 2,-0.1 0.690 99.7 126.0 77.9 17.3 14.8 3.0 46.8 15 19 B G < - 0 0 28 -3,-0.8 2,-0.3 167,-0.1 136,-0.2 -0.154 51.3-125.0 -90.2-165.6 13.3 4.4 43.6 16 20 B E E -B 150 0B 91 134,-2.4 134,-2.9 -2,-0.1 2,-0.1 -0.934 30.7 -83.3-141.0 161.1 9.9 3.7 42.0 17 21 B E E -B 149 0B 101 -2,-0.3 132,-0.3 132,-0.3 2,-0.1 -0.430 48.4-129.5 -65.5 135.0 8.6 2.5 38.8 18 22 B A - 0 0 6 130,-3.2 -1,-0.1 -2,-0.1 130,-0.1 -0.366 25.9 -96.3 -82.2 165.6 8.3 5.2 36.1 19 23 B V > - 0 0 49 -10,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.716 58.7-101.2 -77.3 128.0 5.3 6.1 34.0 20 24 B P T 3 S+ 0 0 68 0, 0.0 47,-0.1 0, 0.0 -1,-0.1 -0.310 103.0 9.0 -57.8 132.2 6.0 4.1 30.8 21 25 B G T 3 S+ 0 0 14 45,-0.2 -15,-0.5 2,-0.1 -16,-0.2 0.377 94.5 114.3 80.1 0.2 7.3 6.4 28.0 22 26 B S S < S+ 0 0 0 -3,-2.1 3,-0.1 1,-0.3 -1,-0.1 0.529 76.3 46.9 -81.3 -8.4 7.7 9.4 30.4 23 27 B W S > S+ 0 0 7 -4,-0.2 3,-2.0 90,-0.1 -1,-0.3 -0.643 73.7 172.4-128.0 70.9 11.5 9.5 30.1 24 28 B P T 3 + 0 0 4 0, 0.0 91,-1.0 0, 0.0 41,-0.3 0.584 69.1 59.2 -60.6 -15.4 11.7 9.2 26.4 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-1.9 91,-0.1 2,-0.5 0.513 79.1 108.4 -90.2 -8.0 15.4 9.9 26.1 26 30 B Q E < +J 41 0C 6 -3,-2.0 39,-0.4 15,-0.2 40,-0.3 -0.600 46.3 178.0 -76.2 124.5 16.3 7.0 28.3 27 31 B V E -J 40 0C 0 13,-2.3 13,-1.1 -2,-0.5 2,-0.4 -0.737 22.8-132.0-119.4 165.7 17.9 4.2 26.4 28 32 B S E -JK 39 63C 0 35,-1.9 35,-2.8 -2,-0.3 2,-0.6 -0.963 10.0-145.4-118.5 133.6 19.3 0.8 27.5 29 33 B L E +JK 38 62C 0 9,-3.1 8,-2.7 -2,-0.4 9,-1.3 -0.920 27.1 177.2 -98.8 121.4 22.7 -0.4 26.3 30 34 B Q E -JK 36 61C 29 31,-2.4 31,-3.3 -2,-0.6 6,-0.2 -0.957 25.2-127.3-125.0 142.3 22.5 -4.2 25.9 31 35 B D > - 0 0 46 4,-1.8 3,-2.4 -2,-0.4 29,-0.1 -0.279 43.8 -88.9 -78.0 177.8 25.3 -6.6 24.7 32 36 B K T 3 S+ 0 0 170 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.676 128.3 65.5 -61.5 -15.7 24.6 -9.1 21.8 33 37 B T T 3 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.627 119.1-111.7 -76.5 -20.6 23.4 -11.5 24.5 34 38 B G < + 0 0 47 -3,-2.4 2,-0.5 1,-0.3 -2,-0.1 0.529 68.6 147.8 94.8 11.6 20.5 -9.2 25.3 35 39 B F - 0 0 121 -4,-0.1 -4,-1.8 1,-0.0 2,-0.4 -0.680 47.1-133.0 -85.6 121.1 22.0 -8.3 28.7 36 40 B H E +J 30 0C 10 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.602 39.0 156.8 -72.0 125.2 21.3 -4.8 30.0 37 41 B F E + 0 0 40 -8,-2.7 149,-0.3 -2,-0.4 2,-0.3 0.610 57.0 4.7-125.8 -15.3 24.6 -3.3 31.3 38 42 B b E -J 29 0C 5 -9,-1.3 -9,-3.1 149,-0.1 -1,-0.3 -0.976 58.6-127.6-162.5 165.6 24.2 0.6 31.1 39 43 B G E +J 28 0C 1 149,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.561 24.4 176.6-110.8-179.4 21.9 3.4 30.4 40 44 B G E -J 27 0C 0 -13,-1.1 -13,-2.3 -2,-0.2 2,-0.4 -0.959 23.2-118.5-172.3 170.9 22.2 6.4 28.1 41 45 B S E -JL 26 49C 1 8,-2.7 8,-3.0 -2,-0.3 2,-0.3 -0.996 18.7-129.3-130.7 135.0 20.4 9.4 26.9 42 46 B L E - L 0 48C 0 -17,-1.9 75,-2.0 -2,-0.4 6,-0.2 -0.618 20.3-179.3 -78.1 128.8 19.4 10.4 23.3 43 47 B I E S- 0 0 19 4,-2.5 2,-0.3 1,-0.5 5,-0.1 0.509 74.8 -22.5-105.4 -6.5 20.5 13.9 22.5 44 48 B N E > S- L 0 47C 46 3,-0.9 3,-0.6 71,-0.1 -1,-0.5 -0.896 89.5 -73.4 179.7 178.6 19.1 13.8 18.9 45 49 B E T 3 S+ 0 0 83 -2,-0.3 63,-3.2 1,-0.2 3,-0.1 0.678 127.2 38.5 -68.8 -14.3 18.2 10.8 16.6 46 50 B N T 3 S+ 0 0 57 61,-0.2 58,-3.0 1,-0.1 2,-0.4 0.521 109.1 62.4-111.1 -4.8 21.8 9.9 15.7 47 51 B W E < -LM 44 103C 9 -3,-0.6 -4,-2.5 56,-0.2 -3,-0.9 -0.977 50.8-173.0-133.1 137.2 23.6 10.4 19.0 48 52 B V E -LM 42 102C 0 54,-2.4 54,-2.7 -2,-0.4 2,-0.4 -0.939 14.6-147.9-122.4 136.8 23.5 8.9 22.4 49 53 B V E +LM 41 101C 2 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.2 -0.899 32.9 147.2-104.8 138.5 25.5 10.2 25.5 50 54 B T E - M 0 100C 0 50,-2.3 50,-2.4 -2,-0.4 2,-0.3 -0.834 48.6 -69.0-151.5-173.4 26.6 7.6 28.0 51 55 B A > - 0 0 1 -12,-0.4 3,-1.0 -2,-0.2 5,-0.3 -0.682 26.1-138.1 -93.5 145.5 29.4 7.0 30.4 52 56 B A G > S+ 0 0 6 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.851 103.1 63.9 -67.4 -29.2 32.9 6.2 29.3 53 57 B H G 3 S+ 0 0 64 1,-0.3 -1,-0.2 2,-0.1 135,-0.0 0.724 82.5 78.5 -70.9 -14.9 33.2 3.6 32.1 54 58 B b G < S- 0 0 16 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.740 90.5-144.9 -62.8 -19.9 30.4 1.6 30.4 55 59 B G < - 0 0 55 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.893 24.4-171.1 56.4 44.5 33.0 0.3 28.0 56 60 B V - 0 0 13 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.349 5.9-170.7 -67.7 143.4 30.6 0.2 25.0 57 61 B T > - 0 0 69 -2,-0.1 3,-1.5 26,-0.0 24,-0.1 -0.810 40.6 -99.4-126.1 172.3 31.8 -1.4 21.8 58 62 B T T 3 S+ 0 0 82 -2,-0.3 23,-0.5 1,-0.3 -2,-0.0 0.530 117.4 67.5 -73.6 -3.5 30.2 -1.5 18.3 59 63 B S T 3 S+ 0 0 67 21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.474 85.2 90.0 -90.7 -8.8 28.8 -5.0 19.0 60 64 B D S < S- 0 0 16 -3,-1.5 21,-0.6 -29,-0.1 2,-0.4 -0.561 72.4-132.5 -86.8 158.6 26.5 -3.6 21.7 61 65 B V E -KN 30 80C 36 -31,-3.3 -31,-2.4 -2,-0.2 2,-0.6 -0.881 0.4-140.9-117.3 144.7 22.9 -2.4 20.9 62 66 B V E -KN 29 79C 0 17,-2.6 17,-3.6 -2,-0.4 2,-0.6 -0.892 19.6-158.9 -99.8 122.1 21.1 0.8 21.9 63 67 B V E -KN 28 78C 1 -35,-2.8 -35,-1.9 -2,-0.6 2,-0.3 -0.930 11.1-173.3-108.9 117.3 17.5 0.0 22.8 64 68 B A E + N 0 77C 1 13,-2.8 13,-2.4 -2,-0.6 -37,-0.1 -0.786 61.4 25.0-108.1 152.2 15.1 3.0 22.6 65 69 B G S S+ 0 0 17 -39,-0.4 2,-0.2 48,-0.4 -1,-0.2 0.579 84.9 138.3 75.2 11.7 11.4 3.2 23.6 66 70 B E + 0 0 22 -40,-0.3 -1,-0.2 -3,-0.2 -45,-0.2 -0.562 19.4 158.2 -90.9 148.7 11.6 0.3 26.1 67 71 B F S S+ 0 0 15 1,-0.2 81,-1.3 -2,-0.2 2,-0.7 0.509 73.3 37.3-128.3 -54.2 10.0 0.3 29.5 68 72 B D B > -P 147 0D 23 79,-0.2 3,-2.2 1,-0.1 79,-0.3 -0.882 63.8-162.2-109.0 104.2 9.7 -3.3 30.6 69 73 B Q T 3 S+ 0 0 44 77,-3.2 -1,-0.1 -2,-0.7 78,-0.1 0.550 90.6 57.4 -63.8 -5.7 12.7 -5.3 29.5 70 74 B G T 3 S+ 0 0 53 76,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.322 84.9 100.9-106.7 5.0 10.7 -8.5 30.0 71 75 B S < - 0 0 41 -3,-2.2 3,-0.1 75,-0.1 -4,-0.1 -0.708 49.8-166.8 -93.0 144.4 7.8 -7.6 27.7 72 76 B S S S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.499 83.1 63.1-101.3 -8.8 7.6 -9.0 24.2 73 77 B S S S+ 0 0 103 2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.302 70.6 107.4-103.9 7.8 4.9 -6.5 23.1 74 78 B E - 0 0 50 -6,-0.2 2,-1.6 -3,-0.1 -8,-0.1 -0.725 69.7-129.5 -87.4 137.6 6.6 -3.2 23.3 75 79 B K + 0 0 173 -2,-0.4 2,-0.2 -10,-0.1 -2,-0.1 -0.659 46.5 167.2 -84.8 83.8 7.5 -1.5 20.0 76 80 B I - 0 0 49 -2,-1.6 2,-0.5 -13,-0.0 -11,-0.2 -0.574 33.9-128.7 -95.1 166.5 11.1 -0.8 20.8 77 81 B Q E -N 64 0C 32 -13,-2.4 -13,-2.8 -2,-0.2 2,-0.7 -0.973 12.3-158.4-118.7 117.8 13.9 0.3 18.5 78 82 B K E -N 63 0C 154 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.905 19.2-166.4 -99.0 112.8 17.1 -1.7 18.6 79 83 B L E -N 62 0C 7 -17,-3.6 -17,-2.6 -2,-0.7 2,-0.1 -0.891 12.7-135.5-109.2 128.2 19.8 0.6 17.1 80 84 B K E -N 61 0C 139 -2,-0.5 25,-1.9 -19,-0.2 26,-0.9 -0.424 20.5-123.1 -76.7 153.4 23.3 -0.4 16.0 81 85 B I E -O 104 0C 9 -21,-0.6 23,-0.2 -23,-0.5 3,-0.1 -0.834 22.7-177.2-102.5 127.2 26.3 1.6 16.9 82 86 B A E S+ 0 0 49 21,-2.7 2,-0.3 -2,-0.5 22,-0.2 0.889 70.7 5.6 -86.1 -46.1 28.5 3.0 14.2 83 87 B K E -O 103 0C 113 20,-1.4 20,-2.2 -26,-0.1 2,-0.5 -0.993 57.7-144.0-144.6 146.3 31.2 4.7 16.3 84 88 B V E -O 102 0C 36 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.948 14.3-164.1-111.9 118.2 32.2 5.0 20.0 85 89 B F E -O 101 0C 29 16,-3.4 16,-2.7 -2,-0.5 2,-0.5 -0.845 4.9-170.2-107.2 95.4 33.6 8.4 20.9 86 90 B K E -O 100 0C 137 -2,-0.8 14,-0.2 14,-0.2 2,-0.1 -0.728 35.8-109.2 -85.1 125.6 35.3 8.2 24.3 87 91 B N > - 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