==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 01-MAY-97 1VGC . 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) . 10196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 63.6 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 . 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 . 20 8.5 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 . 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 . 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 98 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 162.0 14.1 18.8 23.8 2 2 A G + 0 0 0 114,-2.6 198,-2.7 197,-0.2 115,-0.1 0.532 360.0 103.9 63.7 10.1 13.3 17.9 27.5 3 3 A V - 0 0 97 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.811 60.7-155.1-125.2 86.5 9.5 18.1 27.2 4 4 A P - 0 0 6 0, 0.0 109,-0.1 0, 0.0 18,-0.1 -0.223 17.3-136.0 -58.6 146.7 8.2 14.5 27.1 5 5 A A S S+ 0 0 54 107,-0.7 2,-0.7 16,-0.2 108,-0.1 0.793 100.3 54.8 -74.6 -29.4 4.9 13.8 25.4 6 6 A I S S- 0 0 48 106,-0.5 -1,-0.2 15,-0.4 13,-0.1 -0.928 96.2-130.9-108.7 106.8 4.0 11.5 28.4 7 7 A Q - 0 0 131 -2,-0.7 15,-0.1 1,-0.1 2,-0.1 -0.332 18.8-125.1 -59.0 127.2 4.3 13.5 31.5 8 8 A P - 0 0 24 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.459 19.3-149.5 -74.3 150.8 6.3 11.8 34.3 9 9 A V 0 0 96 1,-0.1 10,-0.2 -2,-0.1 13,-0.1 -0.997 360.0 360.0-123.5 129.9 4.7 11.5 37.7 10 10 A L 0 0 97 -2,-0.4 -1,-0.1 8,-0.1 142,-0.1 0.743 360.0 360.0-113.7 360.0 6.8 11.4 40.9 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,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.0 18.1 2.5 41.8 13 17 B V B 3 +A 182 0A 18 169,-3.2 169,-1.6 1,-0.2 128,-0.1 -0.781 360.0 4.1 -88.4 128.9 17.7 1.5 45.5 14 18 B N T 3 S+ 0 0 107 126,-0.7 -1,-0.2 -2,-0.4 126,-0.1 0.655 100.2 124.9 71.4 20.0 14.5 2.9 46.9 15 19 B G < - 0 0 25 -3,-0.6 2,-0.3 167,-0.1 136,-0.2 -0.050 52.9-123.4 -88.7-160.5 13.2 4.4 43.7 16 20 B E E -B 150 0B 87 134,-2.6 134,-2.7 -3,-0.1 2,-0.2 -0.935 29.2 -82.6-143.8 164.8 9.8 3.7 42.1 17 21 B E E -B 149 0B 95 -2,-0.3 132,-0.3 132,-0.3 2,-0.1 -0.481 49.7-126.9 -68.7 135.8 8.5 2.4 38.8 18 22 B A - 0 0 4 130,-2.9 -1,-0.1 -2,-0.2 -8,-0.1 -0.358 25.7 -96.5 -81.9 162.9 8.3 5.2 36.2 19 23 B V > - 0 0 49 -10,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.702 59.5 -99.1 -74.2 125.7 5.2 6.1 34.2 20 24 B P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.260 104.1 6.4 -51.8 126.1 5.8 4.1 30.9 21 25 B G T 3 S+ 0 0 20 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.366 94.6 116.6 81.7 -1.7 7.3 6.3 28.2 22 26 B S S < S+ 0 0 0 -3,-2.2 3,-0.1 1,-0.3 -1,-0.1 0.571 75.2 47.2 -76.3 -13.6 7.6 9.3 30.5 23 27 B W S > S+ 0 0 7 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.575 73.2 172.6-125.9 71.7 11.5 9.5 30.2 24 28 B P T 3 + 0 0 4 0, 0.0 91,-1.0 0, 0.0 41,-0.3 0.539 69.2 58.5 -58.3 -19.1 11.7 9.2 26.4 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-1.8 91,-0.1 2,-0.4 0.517 79.1 110.6 -88.8 -10.1 15.5 9.8 26.1 26 30 B Q E < +J 41 0C 6 -3,-1.9 39,-0.5 15,-0.2 40,-0.4 -0.546 45.9 178.9 -71.9 124.4 16.3 6.9 28.4 27 31 B V E -J 40 0C 0 13,-2.1 13,-1.2 -2,-0.4 2,-0.4 -0.787 22.5-133.5-122.1 162.2 18.0 4.1 26.5 28 32 B S E -JK 39 63C 0 35,-1.9 35,-2.9 -2,-0.3 2,-0.6 -0.964 11.4-143.6-117.5 131.7 19.4 0.7 27.6 29 33 B L E +JK 38 62C 0 9,-3.2 8,-2.3 -2,-0.4 9,-1.2 -0.896 26.8 180.0 -95.3 122.3 22.8 -0.5 26.4 30 34 B Q E -JK 36 61C 29 31,-2.8 31,-3.6 -2,-0.6 6,-0.2 -0.953 21.4-133.7-124.2 142.5 22.6 -4.3 25.8 31 35 B D > - 0 0 45 4,-1.8 3,-2.0 -2,-0.4 29,-0.1 -0.286 44.1 -87.9 -82.1-176.7 25.3 -6.6 24.7 32 36 B K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.692 128.1 65.2 -66.2 -18.1 24.7 -9.2 21.9 33 37 B T T 3 S- 0 0 119 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.667 117.6-113.7 -73.1 -21.8 23.6 -11.6 24.7 34 38 B G < + 0 0 47 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.565 69.1 144.6 94.1 13.8 20.6 -9.3 25.3 35 39 B F - 0 0 124 -4,-0.0 -4,-1.8 1,-0.0 2,-0.5 -0.739 50.3-130.2 -90.8 124.5 22.0 -8.4 28.8 36 40 B H E +J 30 0C 12 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.646 38.4 159.2 -73.4 119.9 21.4 -4.8 30.0 37 41 B F E + 0 0 45 -8,-2.3 149,-0.3 -2,-0.5 2,-0.3 0.638 59.5 4.2-116.8 -17.2 24.8 -3.4 31.3 38 42 B b E -J 29 0C 5 -9,-1.2 -9,-3.2 149,-0.1 -1,-0.3 -0.966 59.8-127.2-161.0 165.4 24.3 0.4 31.2 39 43 B G E +J 28 0C 2 149,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.583 24.6 178.4-109.6 178.9 21.9 3.2 30.5 40 44 B G E -J 27 0C 0 -13,-1.2 -13,-2.1 -2,-0.2 2,-0.4 -0.950 22.1-120.5-168.6 173.8 22.3 6.3 28.2 41 45 B S E -JL 26 49C 1 8,-2.5 8,-2.8 -2,-0.3 2,-0.3 -0.998 18.4-130.0-134.8 131.4 20.4 9.4 27.0 42 46 B L E + L 0 48C 0 -17,-1.8 75,-2.1 -2,-0.4 6,-0.2 -0.613 22.0 177.7 -76.1 131.8 19.4 10.4 23.4 43 47 B I E S- 0 0 20 4,-2.1 2,-0.3 1,-0.5 73,-0.1 0.485 74.3 -15.5-109.3 -12.2 20.5 14.0 22.7 44 48 B N E > S- L 0 47C 40 3,-1.0 3,-0.7 71,-0.1 -1,-0.5 -0.922 88.8 -77.7-171.9 176.8 19.2 13.8 19.1 45 49 B E T 3 S+ 0 0 81 -2,-0.3 63,-3.3 1,-0.2 3,-0.1 0.674 127.0 37.8 -67.8 -10.7 18.2 11.0 16.7 46 50 B N T 3 S+ 0 0 54 61,-0.2 58,-2.7 1,-0.1 2,-0.4 0.474 108.6 60.8-116.8 -3.2 21.8 10.0 15.9 47 51 B W E < -LM 44 103C 11 -3,-0.7 -4,-2.1 56,-0.2 -3,-1.0 -0.981 50.3-170.6-136.3 140.2 23.7 10.4 19.2 48 52 B V E -LM 42 102C 0 54,-2.2 54,-2.9 -2,-0.4 2,-0.4 -0.953 14.9-145.7-125.5 137.3 23.5 8.9 22.6 49 53 B V E +LM 41 101C 2 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.899 32.4 150.4-103.6 138.5 25.5 10.1 25.7 50 54 B T E - M 0 100C 0 50,-2.3 50,-2.4 -2,-0.4 2,-0.3 -0.836 48.5 -70.3-150.1-177.1 26.6 7.5 28.1 51 55 B A > - 0 0 1 -12,-0.4 3,-1.3 48,-0.2 5,-0.3 -0.682 30.2-135.5 -88.0 142.0 29.5 6.9 30.6 52 56 B A G > S+ 0 0 6 -2,-0.3 3,-1.5 1,-0.2 4,-0.1 0.876 103.9 61.1 -61.8 -34.2 33.0 6.3 29.4 53 57 B H G 3 S+ 0 0 63 1,-0.3 -1,-0.2 2,-0.1 135,-0.0 0.644 80.6 82.6 -70.9 -12.2 33.4 3.5 32.0 54 58 B b G < S- 0 0 17 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.754 89.9-143.8 -61.8 -20.9 30.5 1.5 30.4 55 59 B G < - 0 0 53 -3,-1.5 -2,-0.1 -4,-0.3 -3,-0.1 0.848 24.5-170.8 60.1 39.7 33.1 0.3 27.9 56 60 B V - 0 0 13 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.251 5.5-171.0 -62.9 141.5 30.7 0.2 25.0 57 61 B T > - 0 0 70 26,-0.0 3,-1.5 4,-0.0 24,-0.1 -0.813 40.7-100.3-125.7 170.9 31.9 -1.4 21.7 58 62 B T T 3 S+ 0 0 84 -2,-0.3 23,-0.4 1,-0.3 -2,-0.1 0.493 118.1 67.5 -72.6 -3.6 30.2 -1.4 18.3 59 63 B S T 3 S+ 0 0 71 21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.455 85.7 91.0 -90.7 -6.5 28.9 -5.0 19.0 60 64 B D S < S- 0 0 17 -3,-1.5 21,-0.6 -29,-0.1 2,-0.4 -0.537 72.1-132.3 -87.3 159.2 26.6 -3.6 21.7 61 65 B V E -KN 30 80C 39 -31,-3.6 -31,-2.8 -2,-0.2 2,-0.5 -0.915 0.5-141.2-119.2 142.2 23.0 -2.4 21.0 62 66 B V E -KN 29 79C 0 17,-2.7 17,-3.3 -2,-0.4 2,-0.6 -0.860 18.7-157.7 -97.5 123.6 21.1 0.7 22.0 63 67 B V E -KN 28 78C 1 -35,-2.9 -35,-1.9 -2,-0.5 2,-0.3 -0.923 12.3-175.0-108.8 116.3 17.6 -0.0 22.9 64 68 B A E + N 0 77C 1 13,-3.0 13,-3.0 -2,-0.6 -37,-0.1 -0.817 60.0 25.0-109.2 152.5 15.1 2.9 22.7 65 69 B G S S+ 0 0 17 -39,-0.5 2,-0.3 48,-0.3 -1,-0.2 0.691 85.4 139.2 72.7 23.2 11.4 3.1 23.6 66 70 B E + 0 0 20 -40,-0.4 -1,-0.2 -3,-0.3 -45,-0.2 -0.717 21.0 157.8-102.9 145.9 11.6 0.4 26.2 67 71 B F S S+ 0 0 20 1,-0.3 81,-1.5 -2,-0.3 2,-0.6 0.594 72.8 36.5-124.3 -55.8 10.0 0.3 29.6 68 72 B D B > -P 147 0D 26 79,-0.2 3,-1.7 1,-0.1 -1,-0.3 -0.925 62.7-160.9-109.5 109.9 9.7 -3.4 30.7 69 73 B Q T 3 S+ 0 0 46 77,-3.1 78,-0.1 -2,-0.6 -1,-0.1 0.562 91.5 57.8 -69.3 -7.2 12.7 -5.4 29.6 70 74 B G T 3 S+ 0 0 53 76,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.431 84.4 100.1-100.8 -1.9 10.6 -8.5 30.1 71 75 B S < - 0 0 39 -3,-1.7 3,-0.2 75,-0.1 -4,-0.1 -0.648 49.5-167.8 -88.1 142.9 7.8 -7.6 27.7 72 76 B S S S+ 0 0 127 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.516 82.5 61.3-102.4 -7.1 7.6 -9.0 24.2 73 77 B S S S+ 0 0 104 2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.177 72.1 110.1-108.6 15.2 5.0 -6.6 23.0 74 78 B E - 0 0 53 -3,-0.2 2,-1.4 -6,-0.2 -8,-0.1 -0.739 68.4-130.6 -89.7 141.2 6.6 -3.3 23.4 75 79 B K + 0 0 159 -2,-0.4 2,-0.2 -10,-0.1 -2,-0.1 -0.747 45.7 162.8 -90.9 89.8 7.6 -1.5 20.2 76 80 B I - 0 0 37 -2,-1.4 2,-0.5 -10,-0.0 -11,-0.2 -0.615 36.8-123.6-102.4 166.5 11.2 -0.7 21.0 77 81 B Q E -N 64 0C 25 -13,-3.0 -13,-3.0 -2,-0.2 2,-0.8 -0.972 13.5-157.1-116.2 121.8 13.9 0.3 18.6 78 82 B K E -N 63 0C 157 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.888 21.3-168.8 -99.6 105.9 17.1 -1.8 18.6 79 83 B L E -N 62 0C 10 -17,-3.3 -17,-2.7 -2,-0.8 2,-0.2 -0.836 14.6-134.9-105.9 134.4 19.8 0.5 17.1 80 84 B K E -N 61 0C 143 -2,-0.4 25,-2.6 -19,-0.2 26,-0.9 -0.520 19.9-125.1 -83.0 150.5 23.3 -0.4 16.0 81 85 B I E -O 104 0C 9 -21,-0.6 23,-0.2 -23,-0.4 3,-0.1 -0.838 20.3-175.2-100.8 127.6 26.3 1.7 16.9 82 86 B A E S+ 0 0 53 21,-2.7 2,-0.3 -2,-0.5 22,-0.2 0.884 70.4 2.3 -86.2 -43.6 28.6 3.0 14.2 83 87 B K E -O 103 0C 106 20,-1.5 20,-2.4 -26,-0.1 2,-0.5 -0.997 56.8-139.8-150.2 150.6 31.3 4.6 16.4 84 88 B V E -O 102 0C 31 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.939 13.7-163.9-110.0 121.6 32.2 5.1 20.0 85 89 B F E -O 101 0C 29 16,-3.3 16,-2.8 -2,-0.5 2,-0.4 -0.840 7.0-171.7-111.3 93.9 33.7 8.5 21.0 86 90 B K E -O 100 0C 136 -2,-0.7 14,-0.2 14,-0.2 2,-0.1 -0.723 36.8-106.7 -82.7 127.9 35.4 8.2 24.4 87 91 B N > - 0 0 7 12,-1.9 3,-2.3 -2,-0.4 12,-0.1 -0.377 22.3-140.9 -55.8 121.3 36.4 11.6 25.7 88 92 B S T 3 S+ 0 0 100 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.736 102.1 60.5 -59.1 -20.5 40.2 11.7 25.3 89 93 B K T 3 S+ 0 0 136 8,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.516 75.6 121.1 -84.3 -4.3 40.3 13.5 28.7 90 94 B Y < - 0 0 44 -3,-2.3 2,-0.7 9,-0.1 7,-0.2 -0.402 50.6-156.5 -63.0 126.7 38.6 10.5 30.5 91 95 B N B >>> -Q 96 0E 70 5,-2.4 4,-2.0 -2,-0.2 5,-1.0 -0.900 7.1-166.4-109.4 104.6 41.0 9.3 33.3 92 96 B S T 345S+ 0 0 79 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.672 85.8 59.8 -66.6 -13.9 40.1 5.6 34.0 93 97 B L T 345S+ 0 0 153 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.832 122.0 21.1 -83.7 -29.6 42.2 5.8 37.2 94 98 B T T <45S- 0 0 53 -3,-0.7 -2,-0.2 2,-0.1 76,-0.1 0.477 99.3-126.9-112.4 -6.0 40.1 8.6 38.8 95 99 B I T ><5 + 0 0 47 -4,-2.0 3,-0.5 1,-0.2 2,-0.3 0.776 55.7 156.3 60.8 30.3 36.9 8.1 36.7 96 100 B N B 3 < +Q 91 0E 25 -5,-1.0 -5,-2.4 1,-0.2 -1,-0.2 -0.655 56.7 18.2 -88.9 146.8 37.1 11.8 35.8 97 101 B N T 3 S- 0 0 33 75,-0.3 2,-1.9 -2,-0.3 -1,-0.2 0.901 79.9-175.8 60.0 48.6 35.5 13.1 32.6 98 102 B D < + 0 0 1 -3,-0.5 2,-0.3 74,-0.3 124,-0.2 -0.483 31.3 119.0 -78.1 74.8 33.4 10.0 32.5 99 103 B I - 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