==== 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 1GCT . 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) . 10242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 66.7 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 . 78 32.5 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 . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.4 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 1 4 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 0 104 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 165.8 14.1 18.6 24.0 2 2 A G + 0 0 1 114,-2.6 198,-3.0 197,-0.2 115,-0.1 0.508 360.0 104.6 69.1 11.4 13.2 17.8 27.6 3 3 A V - 0 0 105 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.880 59.5-155.2-125.2 86.9 9.4 17.9 27.1 4 4 A P - 0 0 13 0, 0.0 109,-0.1 0, 0.0 108,-0.1 -0.439 17.9-137.5 -69.5 148.2 8.1 14.4 27.1 5 5 A A S S+ 0 0 67 107,-0.5 2,-0.6 106,-0.2 108,-0.1 0.841 100.0 50.4 -67.0 -34.3 4.8 13.6 25.4 6 6 A I S S- 0 0 42 106,-0.6 -1,-0.1 15,-0.5 13,-0.1 -0.898 96.7-129.2-108.8 116.6 3.8 11.4 28.4 7 7 A Q - 0 0 151 -2,-0.6 15,-0.1 1,-0.1 2,-0.1 -0.491 16.0-120.0 -74.3 138.6 4.2 13.3 31.5 8 8 A P - 0 0 24 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.391 17.4-146.1 -72.7 151.6 6.2 11.9 34.4 9 9 A V 0 0 94 1,-0.1 10,-0.2 -2,-0.1 13,-0.0 -0.974 360.0 360.0-124.7 110.8 4.4 11.4 37.7 10 10 A L 0 0 98 -2,-0.6 142,-0.1 8,-0.1 -1,-0.1 0.395 360.0 360.0-101.7 360.0 6.7 11.9 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 0 0, 0.0 3,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 124.4 17.9 2.4 41.9 13 17 B V B 3 +A 182 0A 18 169,-3.6 169,-1.5 1,-0.2 128,-0.1 -0.794 360.0 1.6 -91.3 128.8 17.4 1.5 45.4 14 18 B N T 3 S+ 0 0 108 126,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.757 99.1 128.7 68.8 33.6 14.1 2.7 46.9 15 19 B G < - 0 0 25 -3,-0.7 2,-0.3 167,-0.1 136,-0.2 -0.079 51.4-120.9 -96.0-153.9 12.8 4.2 43.8 16 20 B E E -B 150 0B 90 134,-2.9 134,-2.7 -2,-0.1 2,-0.1 -0.941 29.4 -86.7-150.4 158.1 9.5 3.6 42.1 17 21 B E E -B 149 0B 105 -2,-0.3 132,-0.2 132,-0.2 2,-0.2 -0.478 46.9-132.1 -66.2 140.8 8.2 2.4 38.9 18 22 B A - 0 0 3 130,-2.3 -1,-0.1 -2,-0.1 -8,-0.1 -0.489 26.7 -95.7 -87.9 161.7 8.0 5.2 36.4 19 23 B V > - 0 0 50 -10,-0.2 3,-2.3 -2,-0.2 4,-0.2 -0.661 59.0 -95.2 -73.2 132.2 4.9 5.8 34.2 20 24 B P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.245 104.8 6.8 -57.0 134.9 5.7 4.0 30.9 21 25 B G T 3 S+ 0 0 19 45,-0.2 -15,-0.5 2,-0.1 -16,-0.2 0.433 93.1 118.9 76.8 -0.0 7.2 6.2 28.2 22 26 B S S < S+ 0 0 0 -3,-2.3 3,-0.1 1,-0.2 -1,-0.1 0.563 74.8 44.8 -78.6 -6.4 7.5 9.2 30.6 23 27 B W S > S+ 0 0 7 -4,-0.2 3,-1.8 90,-0.1 -1,-0.2 -0.708 72.9 172.9-130.0 72.5 11.4 9.4 30.3 24 28 B P T 3 + 0 0 3 0, 0.0 91,-1.0 0, 0.0 41,-0.3 0.603 67.7 60.7 -64.2 -16.3 11.6 9.1 26.7 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-2.1 91,-0.1 2,-0.4 0.530 78.9 110.1 -84.0 -11.4 15.4 9.8 26.4 26 30 B Q E < -K 41 0C 6 -3,-1.8 39,-0.5 15,-0.2 40,-0.3 -0.539 46.5-179.9 -73.7 124.4 16.2 6.8 28.5 27 31 B V E -KL 40 64C 0 13,-2.0 13,-1.3 -2,-0.4 2,-0.5 -0.736 22.9-132.7-117.6 157.4 17.9 4.0 26.6 28 32 B S E -KL 39 63C 0 35,-2.1 35,-3.3 -2,-0.2 2,-0.6 -0.974 12.2-146.1-111.3 132.6 19.2 0.6 27.7 29 33 B L E -KL 38 62C 0 9,-2.9 8,-2.7 -2,-0.5 9,-1.1 -0.900 26.8-179.2 -97.9 114.3 22.6 -0.5 26.5 30 34 B Q E -KL 36 61C 12 31,-2.9 31,-3.3 -2,-0.6 6,-0.2 -0.966 20.8-132.2-117.7 146.9 22.5 -4.3 26.0 31 35 B D > - 0 0 43 4,-2.3 3,-2.1 -2,-0.4 29,-0.1 -0.240 44.3 -84.4 -86.6-176.9 25.2 -6.7 24.9 32 36 B K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.757 129.7 57.8 -58.4 -24.1 24.8 -9.3 22.1 33 37 B T T 3 S- 0 0 118 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.497 120.7-109.2 -81.9 -6.5 23.3 -11.8 24.6 34 38 B G < + 0 0 39 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.607 67.4 150.1 88.9 18.0 20.5 -9.2 25.4 35 39 B F - 0 0 127 -4,-0.1 -4,-2.3 1,-0.1 2,-0.4 -0.760 46.8-129.8 -88.7 127.3 21.8 -8.4 28.9 36 40 B H E +K 30 0C 8 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.569 39.1 159.4 -74.4 119.4 21.2 -4.9 30.1 37 41 B F E - 0 0 41 -8,-2.7 2,-0.3 -2,-0.4 149,-0.3 0.639 58.3 -0.5-117.6 -21.1 24.5 -3.5 31.4 38 42 B b E -K 29 0C 5 -9,-1.1 -9,-2.9 149,-0.1 -1,-0.4 -0.990 62.1-123.5-161.4 163.4 24.2 0.4 31.5 39 43 B G E -K 28 0C 2 149,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.495 23.9-175.6-105.3 179.0 21.8 3.1 30.6 40 44 B G E -K 27 0C 0 -13,-1.3 -13,-2.0 -2,-0.2 2,-0.4 -0.925 20.0-123.6-162.2 172.3 22.2 6.1 28.3 41 45 B S E -KM 26 49C 1 8,-2.3 8,-2.4 -2,-0.3 2,-0.3 -0.999 19.1-128.0-133.6 132.1 20.3 9.2 27.2 42 46 B L E + M 0 48C 0 -17,-2.1 75,-2.4 -2,-0.4 6,-0.2 -0.603 24.8 176.8 -73.5 133.5 19.2 10.2 23.6 43 47 B I E S- 0 0 17 4,-2.4 2,-0.3 1,-0.4 -1,-0.2 0.479 72.5 -17.3-110.9 -11.9 20.4 13.8 22.9 44 48 B N E > S- M 0 47C 43 3,-1.1 3,-0.5 71,-0.1 -1,-0.4 -0.907 87.7 -75.5-172.4-177.7 19.2 13.6 19.4 45 49 B E T 3 S+ 0 0 85 -2,-0.3 63,-3.1 1,-0.2 3,-0.1 0.602 126.9 34.8 -71.1 -16.1 18.2 11.1 16.9 46 50 B N T 3 S+ 0 0 54 61,-0.2 58,-2.6 1,-0.1 2,-0.4 0.342 109.6 64.1-116.8 5.8 21.7 10.0 16.1 47 51 B W E < -MN 44 103C 13 -3,-0.5 -4,-2.4 56,-0.2 -3,-1.1 -0.992 48.1-171.7-143.8 139.4 23.5 10.3 19.4 48 52 B V E -MN 42 102C 0 54,-2.5 54,-3.2 -2,-0.4 2,-0.4 -0.969 13.7-148.6-123.0 140.0 23.5 8.8 22.8 49 53 B V E +MN 41 101C 2 -8,-2.4 -8,-2.3 -2,-0.4 2,-0.2 -0.896 31.6 149.4-110.0 138.7 25.4 9.9 25.9 50 54 B T E - N 0 100C 0 50,-2.6 50,-2.1 -2,-0.4 2,-0.3 -0.760 49.3 -69.6-148.2-174.3 26.5 7.3 28.4 51 55 B A > - 0 0 1 -12,-0.4 3,-1.2 48,-0.3 5,-0.3 -0.689 30.5-134.8 -89.3 143.6 29.4 6.8 30.8 52 56 B A G > S+ 0 0 6 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 0.873 104.1 61.3 -64.0 -39.2 32.9 6.0 29.6 53 57 B H G 3 S+ 0 0 44 1,-0.3 -1,-0.2 2,-0.1 189,-0.1 0.560 80.6 83.1 -68.7 -7.6 33.3 3.3 32.1 54 58 B b G < S- 0 0 16 -3,-1.2 -1,-0.3 -15,-0.1 -2,-0.1 0.667 89.6-143.5 -64.0 -23.1 30.4 1.3 30.6 55 59 B G < - 0 0 54 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.876 24.6-169.8 62.7 37.4 33.0 0.1 28.0 56 60 B V - 0 0 15 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.303 5.2-168.4 -59.6 142.6 30.6 0.1 25.1 57 61 B T > - 0 0 69 26,-0.0 3,-1.5 4,-0.0 24,-0.1 -0.820 38.7-105.2-124.5 168.5 31.7 -1.6 21.9 58 62 B T T 3 S+ 0 0 89 -2,-0.3 23,-0.3 1,-0.3 -2,-0.1 0.488 117.8 67.9 -73.7 -2.0 30.1 -1.5 18.4 59 63 B S T 3 S+ 0 0 69 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.510 87.4 88.0 -89.6 -8.2 28.9 -5.0 19.1 60 64 B D S < S- 0 0 17 -3,-1.5 21,-0.7 -29,-0.1 2,-0.4 -0.445 72.4-133.1 -86.1 162.3 26.5 -3.7 21.8 61 65 B V E -LO 30 80C 32 -31,-3.3 -31,-2.9 19,-0.1 2,-0.5 -0.958 1.3-140.5-123.0 145.8 22.9 -2.4 21.1 62 66 B V E -LO 29 79C 0 17,-2.5 17,-3.7 -2,-0.4 2,-0.6 -0.854 18.4-159.4 -99.4 125.5 21.0 0.7 22.2 63 67 B V E -LO 28 78C 0 -35,-3.3 -35,-2.1 -2,-0.5 2,-0.3 -0.920 11.5-175.5-112.1 115.6 17.4 -0.1 23.0 64 68 B A E +LO 27 77C 0 13,-2.9 13,-2.6 -2,-0.6 -37,-0.1 -0.839 60.9 29.5-109.8 147.9 15.1 2.9 22.9 65 69 B G S S+ 0 0 18 -39,-0.5 2,-0.2 -2,-0.3 -1,-0.1 0.592 81.8 137.4 88.5 3.9 11.4 3.0 23.8 66 70 B E + 0 0 21 -40,-0.3 -1,-0.3 -3,-0.2 -45,-0.2 -0.600 19.4 159.3 -91.8 143.8 11.5 0.2 26.4 67 71 B F S S+ 0 0 20 1,-0.3 81,-1.6 -2,-0.2 2,-0.7 0.540 75.6 32.4-119.9 -55.6 9.7 0.2 29.7 68 72 B D B > -Q 147 0D 19 79,-0.2 3,-1.4 1,-0.1 -1,-0.3 -0.899 61.5-165.0-111.9 109.6 9.5 -3.5 30.8 69 73 B Q T 3 S+ 0 0 45 77,-3.3 -1,-0.1 -2,-0.7 78,-0.1 0.650 87.4 64.5 -72.1 -11.3 12.3 -5.5 29.6 70 74 B G T 3 S+ 0 0 57 76,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.409 87.5 94.5 -86.6 1.5 10.4 -8.7 30.4 71 75 B S < - 0 0 35 -3,-1.4 3,-0.2 75,-0.2 -4,-0.1 -0.759 50.5-172.1-100.1 135.5 7.8 -7.8 27.7 72 76 B S S S+ 0 0 128 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 0.365 81.6 66.0-102.1 1.2 7.8 -8.9 24.0 73 77 B S S S+ 0 0 107 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.248 70.8 105.3-111.1 12.6 4.9 -6.7 23.0 74 78 B E S S- 0 0 49 -3,-0.2 2,-1.3 -6,-0.2 -8,-0.1 -0.720 74.8-125.2 -87.7 143.8 6.5 -3.3 23.4 75 79 B K + 0 0 200 -2,-0.3 2,-0.2 -10,-0.1 -2,-0.1 -0.729 47.3 169.5 -91.6 83.3 7.4 -1.5 20.1 76 80 B I - 0 0 55 -2,-1.3 2,-0.5 -13,-0.0 -11,-0.2 -0.541 32.7-130.3 -89.6 162.9 11.1 -0.9 21.0 77 81 B Q E -O 64 0C 38 -13,-2.6 -13,-2.9 -2,-0.2 2,-0.7 -0.992 13.5-159.5-119.0 119.9 13.8 0.3 18.7 78 82 B K E -O 63 0C 130 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.936 19.5-168.2-100.3 113.7 17.0 -1.7 18.7 79 83 B L E -O 62 0C 8 -17,-3.7 -17,-2.5 -2,-0.7 2,-0.2 -0.889 14.7-133.1-113.6 139.8 19.7 0.5 17.3 80 84 B K E -O 61 0C 147 -2,-0.4 25,-3.2 -19,-0.2 26,-0.8 -0.603 20.4-124.1 -86.3 148.7 23.2 -0.3 16.2 81 85 B I E -P 104 0C 8 -21,-0.7 23,-0.3 -23,-0.3 3,-0.1 -0.788 21.6-176.5 -96.7 125.9 26.2 1.7 17.2 82 86 B A E + 0 0 53 21,-3.1 2,-0.3 -2,-0.5 22,-0.2 0.882 70.0 2.9 -86.0 -41.9 28.3 3.1 14.4 83 87 B K E -P 103 0C 114 20,-1.4 20,-2.4 -26,-0.1 2,-0.5 -0.997 56.7-142.9-154.0 142.8 31.1 4.7 16.6 84 88 B V E -P 102 0C 42 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.962 14.1-165.6-108.4 124.7 32.1 5.0 20.2 85 89 B F E -P 101 0C 30 16,-3.6 16,-2.8 -2,-0.5 2,-0.4 -0.871 3.5-168.3-116.7 98.9 33.6 8.3 21.2 86 90 B K E -P 100 0C 139 -2,-0.7 14,-0.2 14,-0.2 2,-0.2 -0.689 34.4-108.5 -85.2 134.5 35.2 8.1 24.6 87 91 B N > - 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