==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/PEPTIDE 04-SEP-90 2GCT . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.M.DIXON,B.W.MATTHEWS . 240 4 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 64.2 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 . 77 32.1 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.8 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 3 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 0 1 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 0.000 360.0 360.0 360.0 163.5 14.0 18.5 24.1 2 2 A G + 0 0 1 114,-2.6 198,-3.2 197,-0.2 115,-0.1 0.467 360.0 101.2 67.8 10.2 13.2 17.9 27.8 3 3 A V - 0 0 105 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.912 61.3-153.5-129.7 90.9 9.4 17.9 27.3 4 4 A P - 0 0 11 0, 0.0 109,-0.1 0, 0.0 108,-0.1 -0.418 16.8-135.8 -69.2 143.8 8.0 14.4 27.3 5 5 A A S S+ 0 0 56 107,-0.5 2,-0.6 106,-0.2 108,-0.1 0.846 100.1 49.6 -65.7 -37.4 4.8 13.7 25.5 6 6 A I S S- 0 0 44 106,-0.6 -1,-0.1 15,-0.5 13,-0.0 -0.908 98.3-121.3-106.8 122.3 3.7 11.6 28.5 7 7 A Q - 0 0 151 -2,-0.6 15,-0.1 1,-0.1 16,-0.1 -0.528 16.9-124.1 -74.9 129.4 4.1 13.3 31.8 8 8 A P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.253 20.5-147.4 -63.8 149.0 6.3 12.0 34.6 9 9 A V 0 0 95 1,-0.1 10,-0.1 10,-0.0 13,-0.0 -0.950 360.0 360.0-130.8 111.8 4.6 11.4 37.8 10 10 A L 0 0 100 -2,-0.5 142,-0.1 8,-0.1 -1,-0.1 0.381 360.0 360.0 -86.8 360.0 6.6 12.0 41.0 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 2,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 133.1 17.8 2.3 41.9 13 17 B V B 3 +A 182 0A 17 169,-3.2 169,-1.6 1,-0.2 128,-0.1 -0.857 360.0 1.5 -96.3 121.7 17.3 1.5 45.5 14 18 B N T 3 S+ 0 0 108 -2,-0.6 -1,-0.2 126,-0.5 126,-0.1 0.715 99.5 126.3 78.0 25.4 14.1 2.7 47.0 15 19 B G < - 0 0 27 -3,-0.5 2,-0.3 167,-0.1 136,-0.2 0.073 51.7-120.7 -91.0-154.7 12.9 4.3 43.8 16 20 B E E -B 150 0B 78 134,-2.6 134,-2.9 -3,-0.1 -1,-0.0 -0.991 27.9 -86.1-149.7 159.6 9.5 3.7 42.2 17 21 B E E -B 149 0B 108 -2,-0.3 132,-0.2 132,-0.2 2,-0.2 -0.392 47.1-132.2 -65.5 144.8 8.1 2.5 39.0 18 22 B A - 0 0 2 130,-2.0 -1,-0.1 49,-0.1 130,-0.1 -0.570 26.2 -95.7 -93.1 159.8 7.8 5.2 36.4 19 23 B V > - 0 0 49 -2,-0.2 3,-2.2 -10,-0.1 4,-0.2 -0.622 61.2 -95.2 -72.8 126.7 4.8 6.0 34.3 20 24 B P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.239 103.3 5.3 -52.7 131.9 5.6 4.1 31.1 21 25 B G T 3 S+ 0 0 21 2,-0.1 -15,-0.5 45,-0.1 -16,-0.2 0.522 92.0 120.7 72.7 8.3 7.2 6.2 28.4 22 26 B S S < S+ 0 0 0 -3,-2.2 3,-0.1 1,-0.3 -1,-0.1 0.587 73.3 47.7 -79.0 -8.1 7.5 9.3 30.7 23 27 B W S > S+ 0 0 7 -4,-0.2 3,-1.7 90,-0.1 -1,-0.3 -0.715 72.3 173.3-127.1 71.2 11.2 9.5 30.4 24 28 B P T 3 + 0 0 3 0, 0.0 91,-1.2 0, 0.0 41,-0.3 0.605 68.4 60.9 -62.5 -13.1 11.5 9.2 26.7 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-2.2 91,-0.1 2,-0.4 0.529 78.5 108.8 -90.1 -7.2 15.2 9.8 26.4 26 30 B Q E < +K 41 0C 7 -3,-1.7 39,-0.5 15,-0.2 40,-0.3 -0.559 44.9 176.5 -77.4 129.5 16.2 6.8 28.5 27 31 B V E -K 40 0C 0 13,-1.9 13,-1.3 -2,-0.4 2,-0.4 -0.765 22.6-132.0-123.7 166.7 17.8 4.0 26.6 28 32 B S E -KL 39 63C 2 35,-2.3 35,-3.2 -2,-0.3 2,-0.6 -0.961 12.1-139.3-121.5 139.2 19.2 0.7 27.6 29 33 B L E -KL 38 62C 0 9,-3.3 8,-2.6 -2,-0.4 9,-0.9 -0.858 26.3-176.3 -99.6 122.0 22.6 -0.6 26.5 30 34 B Q E -KL 36 61C 18 31,-4.1 31,-3.3 -2,-0.6 6,-0.2 -0.962 17.4-139.1-125.7 140.3 22.5 -4.3 25.7 31 35 B D > - 0 0 48 4,-2.3 3,-2.7 -2,-0.4 29,-0.1 -0.291 43.2 -90.0 -81.8 172.2 25.3 -6.7 24.7 32 36 B K T 3 S+ 0 0 180 1,-0.3 -1,-0.1 27,-0.2 28,-0.1 0.822 126.6 60.1 -58.2 -23.3 24.8 -9.4 22.0 33 37 B T T 3 S- 0 0 121 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.465 120.3-110.0 -78.9 -1.2 23.6 -12.0 24.6 34 38 B G < + 0 0 29 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.523 68.2 148.0 85.0 8.4 20.8 -9.5 25.3 35 39 B F - 0 0 130 -4,-0.1 -4,-2.3 1,-0.1 2,-0.6 -0.670 46.4-132.8 -81.7 135.2 22.0 -8.6 28.8 36 40 B H E +K 30 0C 48 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.753 36.8 161.8 -85.7 112.7 21.3 -4.9 29.8 37 41 B F E + 0 0 39 -8,-2.6 2,-0.3 -2,-0.6 149,-0.2 0.740 53.9 8.4-108.6 -25.4 24.4 -3.5 31.2 38 42 B b E -K 29 0C 11 -9,-0.9 -9,-3.3 149,-0.1 -1,-0.2 -0.951 60.7-127.3-150.8 163.8 24.2 0.3 31.2 39 43 B G E +K 28 0C 4 149,-2.2 12,-0.4 -2,-0.3 2,-0.3 -0.561 25.8 179.4-105.9 176.7 21.7 3.1 30.7 40 44 B G E -K 27 0C 0 -13,-1.3 -13,-1.9 -2,-0.2 2,-0.4 -0.941 21.9-121.6-164.6 174.5 22.1 6.1 28.4 41 45 B S E -KM 26 49C 0 8,-2.0 8,-2.5 -2,-0.3 2,-0.3 -0.999 18.2-128.9-134.0 133.0 20.2 9.2 27.3 42 46 B L E + M 0 48C 0 -17,-2.2 75,-2.2 -2,-0.4 6,-0.2 -0.622 24.9 176.4 -74.5 131.6 19.2 10.2 23.8 43 47 B I E S- 0 0 15 4,-2.0 2,-0.3 1,-0.4 -1,-0.2 0.465 72.7 -16.5-110.8 -9.9 20.3 13.9 23.2 44 48 B N E > S- M 0 47C 53 3,-1.1 3,-0.6 71,-0.1 -1,-0.4 -0.918 86.9 -76.2-173.4-179.1 19.1 13.7 19.6 45 49 B E T 3 S+ 0 0 89 -2,-0.3 63,-3.2 1,-0.2 3,-0.1 0.614 126.5 36.8 -67.8 -17.5 18.0 11.2 17.0 46 50 B N T 3 S+ 0 0 58 61,-0.2 58,-2.1 1,-0.1 2,-0.4 0.367 109.3 56.8-116.5 4.0 21.5 10.3 16.3 47 51 B W E < -MN 44 103C 16 -3,-0.6 -4,-2.0 56,-0.2 -3,-1.1 -0.999 48.7-166.1-146.3 144.4 23.4 10.3 19.5 48 52 B V E -MN 42 102C 0 54,-2.1 54,-2.6 -2,-0.4 2,-0.4 -0.936 13.8-146.7-122.1 140.5 23.3 8.8 22.9 49 53 B V E +MN 41 101C 1 -8,-2.5 -8,-2.0 -2,-0.3 2,-0.3 -0.905 33.4 146.2-106.8 138.3 25.3 9.9 25.9 50 54 B T E - N 0 100C 0 50,-2.1 50,-2.4 -2,-0.4 2,-0.3 -0.810 49.3 -66.3-152.6-172.8 26.4 7.3 28.4 51 55 B A > - 0 0 1 -12,-0.4 3,-1.2 48,-0.3 5,-0.4 -0.658 28.3-138.3 -93.0 145.2 29.3 6.6 30.7 52 56 B A G > S+ 0 0 5 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.905 103.4 61.1 -65.8 -40.6 32.8 5.9 29.6 53 57 B H G 3 S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.1 135,-0.0 0.525 83.7 78.5 -66.9 -4.5 33.3 3.2 32.1 54 58 B b G < S- 0 0 17 -3,-1.2 -1,-0.3 -15,-0.1 -2,-0.2 0.668 92.4-143.7 -70.6 -20.4 30.3 1.2 30.5 55 59 B G < - 0 0 51 -3,-2.0 -2,-0.1 -4,-0.2 -3,-0.1 0.910 22.0-167.1 57.6 48.3 32.9 0.3 28.0 56 60 B V - 0 0 12 -5,-0.4 2,-0.3 -4,-0.2 -1,-0.1 -0.317 6.2-170.7 -67.3 141.4 30.5 0.3 25.0 57 61 B T > - 0 0 76 -2,-0.1 3,-1.5 26,-0.0 24,-0.1 -0.855 41.9-102.4-122.7 166.0 31.8 -1.3 21.7 58 62 B T T 3 S+ 0 0 87 -2,-0.3 23,-0.3 1,-0.2 -2,-0.1 0.349 115.4 72.6 -74.4 10.6 30.1 -1.1 18.4 59 63 B S T 3 S+ 0 0 65 21,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.194 85.7 86.5-101.1 3.4 28.8 -4.8 19.0 60 64 B D S < S- 0 0 12 -3,-1.5 21,-0.7 -29,-0.1 2,-0.4 -0.703 72.2-130.6-104.6 164.8 26.4 -3.6 21.5 61 65 B V E -LO 30 80C 32 -31,-3.3 -31,-4.1 -2,-0.3 2,-0.5 -0.933 1.6-140.4-125.4 141.9 22.9 -2.3 21.1 62 66 B V E -LO 29 79C 0 17,-2.5 17,-3.5 -2,-0.4 2,-0.5 -0.859 19.1-155.9 -95.3 120.1 21.0 0.7 22.2 63 67 B V E -LO 28 78C 1 -35,-3.2 -35,-2.3 -2,-0.5 2,-0.3 -0.920 13.3-174.5-106.4 123.0 17.3 0.0 23.1 64 68 B A E + O 0 77C 0 13,-2.4 13,-3.1 -2,-0.5 -37,-0.1 -0.852 58.3 22.5-116.4 148.4 14.9 2.9 22.9 65 69 B G S S+ 0 0 20 -39,-0.5 2,-0.3 48,-0.3 10,-0.2 0.541 84.4 138.7 76.7 12.1 11.2 3.1 23.9 66 70 B E + 0 0 16 -40,-0.3 -1,-0.2 1,-0.2 -45,-0.1 -0.667 22.7 160.5 -94.1 144.4 11.4 0.4 26.4 67 71 B F S S+ 0 0 23 1,-0.4 81,-1.9 -2,-0.3 2,-0.6 0.612 71.1 41.3-119.4 -44.4 9.8 0.2 29.8 68 72 B D B -Q 147 0D 39 79,-0.2 -1,-0.4 1,-0.1 79,-0.3 -0.946 58.9-160.6-111.9 118.0 9.6 -3.3 30.8 69 73 B Q S S+ 0 0 36 77,-3.9 -1,-0.1 -2,-0.6 78,-0.1 0.732 89.3 66.7 -72.4 -13.9 12.5 -5.4 30.0 70 74 B G S S+ 0 0 60 2,-0.0 -1,-0.2 76,-0.0 77,-0.0 0.912 84.2 115.9 -59.2 -45.9 10.2 -8.7 30.3 71 75 B S + 0 0 47 -3,-0.2 -5,-0.0 1,-0.1 0, 0.0 0.176 38.6 169.9 -44.2 131.5 8.2 -7.7 27.2 72 76 B S S S+ 0 0 125 3,-0.0 -1,-0.1 1,-0.0 -3,-0.0 0.345 86.1 53.7-112.6 -14.3 7.7 -9.2 23.8 73 77 B S S S+ 0 0 101 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 0.247 77.5 107.5-113.7 1.9 4.9 -6.8 22.8 74 78 B E S S- 0 0 56 -6,-0.1 2,-0.7 1,-0.1 -8,-0.1 -0.550 71.9-127.6 -81.5 154.7 6.5 -3.4 23.4 75 79 B K + 0 0 204 -10,-0.2 2,-0.1 -2,-0.2 -1,-0.1 -0.696 46.5 165.4-103.0 67.9 7.4 -1.4 20.2 76 80 B I - 0 0 51 -2,-0.7 2,-0.5 -13,-0.0 -11,-0.2 -0.387 36.3-127.4 -81.5 163.3 11.0 -0.8 21.2 77 81 B Q E -O 64 0C 40 -13,-3.1 -13,-2.4 -2,-0.1 2,-0.7 -0.970 14.5-156.8-111.7 127.1 13.6 0.4 18.8 78 82 B K E -O 63 0C 111 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.894 21.0-168.4-103.5 103.1 16.9 -1.7 18.7 79 83 B L E -O 62 0C 9 -17,-3.5 -17,-2.5 -2,-0.7 2,-0.2 -0.818 14.4-137.6-104.3 134.1 19.6 0.6 17.3 80 84 B K E -O 61 0C 141 -2,-0.5 25,-2.5 -19,-0.2 26,-0.8 -0.530 20.1-124.9 -82.8 152.0 23.1 -0.2 16.2 81 85 B I E -P 104 0C 7 -21,-0.7 23,-0.3 -23,-0.3 3,-0.1 -0.842 20.3-174.4 -98.8 124.1 26.0 1.9 17.1 82 86 B A E S+ 0 0 54 21,-2.9 2,-0.3 -2,-0.5 22,-0.2 0.946 70.4 3.9 -81.4 -47.8 28.2 3.3 14.4 83 87 B K E -P 103 0C 116 20,-1.4 20,-2.5 -26,-0.1 2,-0.4 -0.999 59.0-141.9-143.7 143.3 31.0 4.8 16.4 84 88 B V E -P 102 0C 37 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.863 13.0-166.8-103.6 134.3 32.0 5.1 20.1 85 89 B F E -P 101 0C 29 16,-3.4 16,-3.2 -2,-0.4 2,-0.4 -0.853 1.5-169.6-124.1 95.9 33.4 8.4 21.3 86 90 B K E -P 100 0C 132 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.723 33.5-113.2 -83.0 128.9 35.0 8.1 24.7 87 91 B N > - 0 0 6 12,-2.4 3,-1.3 -2,-0.4 12,-0.1 -0.246 28.8-139.3 -50.1 143.1 35.9 11.6 26.1 88 92 B S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.461 98.0 64.4-114.5 26.4 39.6 11.7 26.2 89 93 B K T 3 S+ 0 0 165 8,-0.2 -1,-0.3 2,-0.0 7,-0.1 0.208 78.8 137.3 -95.9 2.7 40.3 13.3 29.3 90 94 B Y < - 0 0 44 -3,-1.3 2,-0.8 9,-0.1 7,-0.2 -0.312 43.2-155.8 -56.1 122.1 38.5 10.0 30.6 91 95 B N B >> -R 96 0E 62 5,-2.6 4,-2.3 1,-0.1 5,-1.2 -0.867 15.1-171.4-109.3 100.9 40.6 8.9 33.5 92 96 B S T 45S+ 0 0 79 -2,-0.8 -1,-0.1 2,-0.2 -2,-0.0 0.708 85.4 56.5 -60.4 -27.6 40.2 5.2 34.1 93 97 B L T 45S+ 0 0 159 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.930 125.6 21.3 -69.2 -44.5 42.2 5.3 37.5 94 98 B T T 45S- 0 0 46 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.490 96.9-128.9 -99.2 -12.9 39.8 8.0 39.0 95 99 B I T ><5 + 0 0 37 -4,-2.3 3,-0.5 1,-0.3 2,-0.2 0.770 57.4 153.7 61.5 30.0 36.7 7.5 36.7 96 100 B N B 3 < +R 91 0E 25 -5,-1.2 -5,-2.6 1,-0.2 -1,-0.3 -0.676 54.6 23.0 -89.6 151.5 36.8 11.2 36.2 97 101 B N T 3 S- 0 0 26 -2,-0.2 2,-1.9 -7,-0.2 -1,-0.2 0.864 81.1-179.0 61.6 42.1 35.4 12.7 32.9 98 102 B D < + 0 0 1 -3,-0.5 2,-0.3 74,-0.2 124,-0.2 -0.491 29.0 114.9 -80.1 75.2 33.2 9.6 32.7 99 103 B I - 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