==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX(SERINE PROTEINASE-INHIBITOR) 04-MAR-88 1CHO . COMPND 2 MOLECULE: ALPHA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.FUJINAGA,A.R.SIELECKI,R.J.READ,W.ARDELT,M.LASKOWSKIJUNIOR, . 291 4 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 1 0.3 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 . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 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 4 2 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 1 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 E a 0 0 101 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 158.6 -15.2 29.5 -7.3 2 2 E G + 0 0 1 114,-2.7 200,-2.4 199,-0.2 115,-0.1 0.356 360.0 105.0 67.1 10.0 -13.7 28.3 -10.5 3 3 E V - 0 0 95 113,-0.2 2,-0.2 198,-0.2 -1,-0.1 -0.952 60.0-148.3-118.4 104.2 -10.9 30.8 -11.1 4 4 E P - 0 0 3 0, 0.0 109,-0.1 0, 0.0 18,-0.1 -0.465 12.8-140.9 -69.2 145.7 -7.5 29.2 -10.3 5 5 E A S S+ 0 0 67 107,-0.7 2,-0.6 16,-0.2 108,-0.1 0.754 100.7 55.1 -73.4 -27.7 -4.7 31.5 -8.9 6 6 E I S S- 0 0 41 15,-0.5 -1,-0.1 106,-0.4 13,-0.1 -0.958 96.7-131.9-106.5 115.8 -2.4 29.4 -11.1 7 7 E Q - 0 0 100 -2,-0.6 15,-0.1 1,-0.1 16,-0.1 -0.582 16.2-124.4 -83.5 135.0 -3.7 29.4 -14.7 8 8 E P - 0 0 25 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.360 14.8-144.6 -64.5 152.5 -3.9 26.1 -16.5 9 9 E V 0 0 105 -2,-0.1 13,-0.0 10,-0.0 10,-0.0 -0.916 360.0 360.0-125.1 104.3 -2.1 25.8 -19.8 10 10 E L 0 0 92 -2,-0.5 8,-0.0 8,-0.1 143,-0.0 -0.944 360.0 360.0-108.0 360.0 -4.0 23.6 -22.3 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 F I > 0 0 1 0, 0.0 3,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 120.4 -6.3 9.8 -19.0 13 17 F V B 3 +A 184 0A 2 171,-3.5 171,-1.5 1,-0.2 128,-0.1 -0.792 360.0 5.3 -91.7 128.4 -5.1 8.2 -22.2 14 18 F N T 3 S+ 0 0 109 126,-0.7 -1,-0.2 -2,-0.5 2,-0.1 0.847 100.1 130.3 68.2 37.4 -3.4 10.7 -24.6 15 19 F G < - 0 0 27 -3,-0.7 2,-0.3 138,-0.1 138,-0.2 -0.140 50.7-126.8 -98.2-160.7 -3.7 13.6 -22.0 16 20 F E E -B 152 0B 95 136,-2.3 136,-2.6 -2,-0.1 2,-0.1 -0.968 30.0 -89.0-149.9 150.0 -0.8 15.9 -21.0 17 21 F E E -B 151 0B 107 -2,-0.3 134,-0.3 134,-0.2 133,-0.1 -0.402 44.7-134.7 -62.3 129.6 0.6 16.9 -17.6 18 22 F A - 0 0 4 132,-1.6 -1,-0.1 -2,-0.1 -8,-0.1 -0.259 30.0 -90.3 -75.6 171.6 -1.2 19.9 -16.1 19 23 F V > - 0 0 47 1,-0.1 3,-2.1 -13,-0.1 4,-0.2 -0.788 57.9 -94.4 -83.0 135.6 0.7 22.9 -14.6 20 24 F P T 3 S+ 0 0 69 0, 0.0 47,-0.1 0, 0.0 -1,-0.1 -0.225 108.9 8.5 -50.0 128.9 1.1 22.1 -10.8 21 25 F G T 3 S+ 0 0 16 45,-0.2 -15,-0.5 2,-0.2 -16,-0.2 0.438 91.6 117.1 77.9 4.5 -1.8 23.8 -8.9 22 26 F S S < S+ 0 0 0 -3,-2.1 3,-0.1 1,-0.3 -1,-0.1 0.564 77.9 45.5 -80.8 -15.5 -3.8 24.8 -12.0 23 27 F W S > S+ 0 0 7 -4,-0.2 3,-1.3 90,-0.1 -1,-0.3 -0.713 71.5 170.3-126.6 71.5 -6.8 22.6 -11.1 24 28 F P T 3 S+ 0 0 2 0, 0.0 91,-0.7 0, 0.0 41,-0.3 0.574 70.4 59.8 -64.9 -17.8 -7.1 23.4 -7.4 25 29 F W T 3 S+ 0 0 0 89,-0.2 17,-2.0 91,-0.1 2,-0.4 0.569 79.9 109.1 -85.1 -13.3 -10.5 21.7 -6.8 26 30 F Q E < +K 41 0C 5 -3,-1.3 39,-0.5 15,-0.2 40,-0.3 -0.568 46.5 177.7 -67.8 121.2 -8.9 18.3 -7.9 27 31 F V E -KL 40 64C 1 13,-2.3 13,-1.5 -2,-0.4 2,-0.4 -0.801 24.4-133.8-120.7 162.6 -8.5 15.9 -4.9 28 32 F S E -KL 39 63C 0 35,-2.2 35,-3.3 -2,-0.3 2,-0.6 -0.965 14.0-143.6-112.5 130.1 -7.3 12.3 -4.8 29 33 F L E -KL 38 62C 0 9,-3.5 8,-3.0 -2,-0.4 9,-1.4 -0.870 27.2-174.9 -98.3 119.3 -9.3 9.8 -2.7 30 34 F Q E -KL 36 61C 13 31,-2.7 31,-3.0 -2,-0.6 6,-0.2 -0.882 19.9-123.5-117.8 148.2 -6.8 7.4 -1.1 31 35 F D > - 0 0 40 4,-1.8 3,-2.1 -2,-0.3 29,-0.1 -0.262 45.0 -84.6 -81.4 176.5 -7.4 4.3 1.0 32 36 F K T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 28,-0.0 0.742 129.6 51.7 -54.2 -29.5 -6.1 3.7 4.5 33 37 F T T 3 S- 0 0 105 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.246 122.9-100.5 -96.2 11.8 -2.7 2.5 3.2 34 38 F G S < S+ 0 0 42 -3,-2.1 2,-0.5 1,-0.2 -2,-0.1 0.653 72.1 141.6 83.1 22.6 -2.2 5.5 0.9 35 39 F F - 0 0 106 2,-0.0 -4,-1.8 1,-0.0 -1,-0.2 -0.876 50.3-127.1-100.9 128.1 -3.3 4.2 -2.5 36 40 F H E +K 30 0C 20 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.424 37.2 162.4 -63.2 138.3 -5.2 6.5 -4.9 37 41 F F E + 0 0 4 -8,-3.0 221,-2.7 1,-0.5 2,-0.3 0.526 61.5 1.2-129.3 -22.9 -8.5 4.8 -6.1 38 42 F b E -K 29 0C 0 -9,-1.4 -9,-3.5 219,-0.2 -1,-0.5 -0.974 63.1-122.4-157.0 165.2 -10.6 7.7 -7.4 39 43 F G E +K 28 0C 2 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.393 26.8 177.9 -98.9-175.5 -10.6 11.5 -7.9 40 44 F G E -K 27 0C 0 -13,-1.5 -13,-2.3 -2,-0.1 2,-0.4 -0.957 21.8-121.0-170.7 176.6 -13.0 14.1 -6.6 41 45 F S E -KM 26 49C 2 8,-2.0 8,-2.3 -2,-0.3 2,-0.4 -0.998 17.1-129.1-135.4 136.2 -13.7 17.9 -6.6 42 46 F L E + M 0 48C 0 -17,-2.0 75,-1.9 -2,-0.4 6,-0.3 -0.712 23.6 176.5 -78.2 132.1 -13.9 20.3 -3.7 43 47 F I S S- 0 0 16 4,-2.1 2,-0.3 -2,-0.4 5,-0.2 0.387 74.5 -7.3-110.4 -7.5 -17.1 22.4 -4.1 44 48 F N S S- 0 0 44 3,-1.1 3,-0.4 71,-0.1 -1,-0.2 -0.887 87.2 -84.8-168.2-176.3 -16.4 24.2 -0.8 45 49 F E S S+ 0 0 89 -2,-0.3 63,-3.6 1,-0.2 3,-0.0 0.680 127.0 36.4 -80.2 -14.8 -14.0 24.0 2.1 46 50 F N S S+ 0 0 50 61,-0.2 58,-2.1 1,-0.1 2,-0.4 0.218 110.2 61.1-118.3 6.1 -16.1 21.3 3.8 47 51 F W E - N 0 103C 8 -3,-0.4 -4,-2.1 56,-0.2 -3,-1.1 -0.997 49.3-171.5-148.4 138.8 -17.5 19.1 0.9 48 52 F V E -MN 42 102C 0 54,-2.2 54,-3.0 -2,-0.4 2,-0.4 -0.933 14.0-148.8-123.0 136.8 -16.2 17.0 -1.9 49 53 F V E +MN 41 101C 3 -8,-2.3 -8,-2.0 -2,-0.3 2,-0.2 -0.943 29.5 150.3-113.9 137.2 -18.2 15.5 -4.8 50 54 F T E - N 0 100C 0 50,-2.6 50,-1.8 -2,-0.4 2,-0.3 -0.745 48.8 -69.2-146.4-172.7 -17.3 12.1 -6.3 51 55 F A > - 0 0 1 -12,-0.4 3,-1.3 48,-0.2 5,-0.3 -0.759 31.6-134.5 -90.4 144.3 -18.9 9.1 -8.0 52 56 F A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.881 103.1 64.3 -60.9 -36.9 -21.1 6.7 -6.0 53 57 F H G 3 S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.1 204,-0.1 0.634 82.2 76.1 -65.3 -16.9 -19.4 3.7 -7.6 54 58 F b G < S- 0 0 1 -3,-1.3 -1,-0.3 -15,-0.1 -2,-0.2 0.708 91.5-145.5 -68.0 -19.2 -16.1 4.6 -6.0 55 59 F G < - 0 0 40 -3,-1.9 -2,-0.1 -4,-0.3 -3,-0.1 0.906 23.3-169.0 55.1 48.1 -17.6 3.2 -2.7 56 60 F V - 0 0 14 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.424 4.2-167.8 -66.6 144.5 -15.8 5.7 -0.5 57 61 F T > - 0 0 64 -2,-0.1 3,-1.8 26,-0.0 24,-0.1 -0.768 39.8-102.1-128.3 175.8 -15.8 5.2 3.3 58 62 F T T 3 S+ 0 0 75 1,-0.3 23,-0.5 -2,-0.3 -2,-0.0 0.650 119.6 66.6 -72.0 -9.0 -15.0 7.2 6.4 59 63 F S T 3 S+ 0 0 60 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.607 88.9 87.0 -79.0 -19.3 -11.8 5.1 6.4 60 64 F D < - 0 0 10 -3,-1.8 21,-0.7 -29,-0.1 2,-0.3 -0.467 69.6-140.9 -84.3 165.2 -10.7 6.8 3.2 61 65 F V E -LO 30 80C 17 -31,-3.0 -31,-2.7 -2,-0.1 2,-0.6 -0.957 4.9-137.6-128.4 149.4 -8.9 10.1 3.0 62 66 F V E -LO 29 79C 0 17,-2.5 17,-3.4 -2,-0.3 2,-0.6 -0.901 15.6-156.8-102.7 121.0 -9.1 13.1 0.6 63 67 F V E -LO 28 78C 0 -35,-3.3 -35,-2.2 -2,-0.6 2,-0.3 -0.889 14.1-172.3-103.3 119.5 -5.7 14.5 -0.5 64 68 F A E +LO 27 77C 0 13,-2.7 13,-2.1 -2,-0.6 -37,-0.1 -0.853 62.1 26.7-110.0 146.4 -6.0 18.2 -1.5 65 69 F G S S+ 0 0 15 -39,-0.5 2,-0.2 48,-0.3 -1,-0.1 0.550 83.1 143.5 82.1 12.2 -3.2 20.2 -3.2 66 70 F E + 0 0 27 -40,-0.3 -1,-0.3 -3,-0.2 -45,-0.2 -0.572 16.2 154.3 -87.6 149.4 -1.4 17.3 -4.7 67 71 F F S S+ 0 0 18 -2,-0.2 83,-1.3 1,-0.1 2,-0.9 0.526 72.0 37.3-131.7 -65.8 0.3 17.3 -8.1 68 72 F D B > -Q 149 0D 28 81,-0.2 3,-1.9 1,-0.2 81,-0.2 -0.869 61.5-171.0-103.3 97.4 3.1 14.7 -8.2 69 73 F Q T 3 S+ 0 0 48 79,-2.7 -1,-0.2 -2,-0.9 80,-0.1 0.696 80.9 71.0 -57.0 -28.0 1.8 11.7 -6.2 70 74 F G T 3 S+ 0 0 46 78,-0.1 -1,-0.3 -3,-0.1 79,-0.1 0.431 81.2 122.9 -74.6 0.6 5.3 10.2 -6.5 71 75 F S < - 0 0 56 -3,-1.9 3,-0.1 77,-0.2 -2,-0.0 0.097 66.2-145.7 -64.7 169.9 6.6 12.8 -4.0 72 76 F S S S- 0 0 141 1,-0.3 -1,-0.1 0, 0.0 2,-0.1 0.312 88.7 -37.8-108.8 -7.7 8.3 12.7 -0.6 73 77 F S + 0 0 94 -5,-0.2 -1,-0.3 2,-0.0 2,-0.3 -0.280 54.1 171.6 134.6 144.3 6.2 15.8 0.0 74 78 F E - 0 0 59 -3,-0.1 2,-2.2 -2,-0.1 -8,-0.0 -0.785 65.4 -70.4-139.4 165.7 4.8 19.0 -1.3 75 79 F K S S+ 0 0 198 -2,-0.3 2,-0.1 -10,-0.1 -2,-0.0 -0.342 77.5 145.6 -81.3 69.0 2.3 21.1 0.7 76 80 F I - 0 0 40 -2,-2.2 2,-0.4 -13,-0.0 -11,-0.2 -0.345 41.1-135.1 -89.0 176.4 -0.8 19.0 0.5 77 81 F Q E -O 64 0C 44 -13,-2.1 -13,-2.7 -2,-0.1 2,-0.6 -0.996 4.9-150.2-135.5 133.7 -3.5 18.4 3.1 78 82 F K E -O 63 0C 133 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.962 21.9-164.0-106.7 112.0 -4.9 15.0 4.0 79 83 F L E -O 62 0C 10 -17,-3.4 -17,-2.5 -2,-0.6 2,-0.2 -0.823 10.7-134.9-105.0 140.6 -8.5 15.5 5.0 80 84 F K E -O 61 0C 116 -2,-0.4 25,-3.0 -19,-0.2 26,-0.6 -0.605 19.7-122.2 -91.3 152.0 -10.6 13.0 7.0 81 85 F I E -P 104 0C 9 -21,-0.7 23,-0.2 -23,-0.5 3,-0.1 -0.865 22.9-177.0 -98.1 126.1 -14.2 12.2 6.0 82 86 F A E S- 0 0 57 21,-2.7 2,-0.3 -2,-0.5 22,-0.2 0.844 70.9 -1.5 -88.5 -41.1 -16.9 12.7 8.6 83 87 F K E -P 103 0C 106 20,-1.6 20,-3.0 -26,-0.1 2,-0.5 -0.991 58.0-142.4-156.7 143.2 -19.9 11.4 6.6 84 88 F V E -P 102 0C 34 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.926 10.9-164.6-109.5 128.9 -20.6 10.0 3.1 85 89 F F E -P 101 0C 29 16,-3.4 16,-3.1 -2,-0.5 2,-0.3 -0.894 9.0-170.0-115.9 96.6 -23.8 10.9 1.4 86 90 F K E -P 100 0C 121 -2,-0.7 14,-0.2 14,-0.2 2,-0.1 -0.736 34.5-104.2 -89.1 137.3 -24.5 8.5 -1.5 87 91 F N > - 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