==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-AUG-01 1JQG . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOVERPA ARMIGERA; . AUTHOR E.ESTEBANEZ-PERPINA,A.BAYES,J.VENDRELL,M.A.JONGSMA,D.P.BOWN, . 409 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 27 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 2 0 0 0 2 0 0 1 1 2 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 1 1 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 . 1 0 3 0 2 0 1 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 1 0 0 0 1 0 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 4PA H 0 0 187 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.8 16.5 -7.8 30.0 2 5PA E > - 0 0 44 1,-0.1 3,-1.1 212,-0.0 73,-0.1 -0.868 360.0-138.3-117.2 153.3 16.2 -5.2 27.3 3 6PA I T 3 S+ 0 0 104 -2,-0.4 -1,-0.1 1,-0.2 211,-0.0 0.461 105.4 61.6 -79.3 -0.5 18.4 -2.6 25.7 4 7PA Y T > + 0 0 20 2,-0.1 3,-1.4 45,-0.1 2,-0.8 0.224 65.9 127.3-110.2 8.7 15.4 -0.2 25.8 5 8PA D T < S+ 0 0 72 -3,-1.1 45,-0.2 1,-0.3 3,-0.1 -0.629 86.5 12.8 -69.3 104.8 14.9 -0.1 29.5 6 9PA G T 3 S+ 0 0 9 -2,-0.8 -1,-0.3 1,-0.4 2,-0.2 0.225 91.6 137.2 111.1 -11.5 14.9 3.6 30.2 7 10PA H < - 0 0 34 -3,-1.4 67,-2.5 42,-0.1 2,-0.4 -0.487 36.8-158.3 -72.5 133.6 14.6 4.8 26.6 8 11PA A E -A 48 0A 0 40,-2.5 40,-3.0 -2,-0.2 2,-0.5 -0.875 12.5-135.5-117.9 146.4 12.1 7.6 26.2 9 12PA V E -AB 47 71A 0 62,-2.1 61,-2.2 -2,-0.4 62,-1.6 -0.852 25.2-167.1 -98.6 125.4 10.1 8.9 23.1 10 13PA Y E -AB 46 69A 1 36,-2.6 36,-1.9 -2,-0.5 2,-0.5 -0.783 16.8-142.7-112.2 155.2 10.1 12.7 22.7 11 14PA Q E -AB 45 68A 49 57,-1.7 57,-1.3 -2,-0.3 2,-0.5 -0.971 17.8-159.2-116.6 110.0 8.0 14.9 20.4 12 15PA V E -AB 44 67A 0 32,-1.5 32,-1.7 -2,-0.5 2,-0.6 -0.852 2.2-162.8 -95.4 126.7 10.0 17.9 19.0 13 16PA D E - B 0 66A 36 53,-2.6 53,-1.0 -2,-0.5 2,-0.3 -0.962 7.3-167.3-111.5 109.0 8.0 20.9 17.8 14 17PA V - 0 0 10 -2,-0.6 27,-0.4 51,-0.1 28,-0.2 -0.775 12.3-166.6 -98.9 141.6 9.9 23.2 15.6 15 18PA A + 0 0 73 -2,-0.3 2,-0.2 25,-0.1 -1,-0.1 0.829 67.5 18.6 -93.9 -41.8 8.6 26.7 14.7 16 19PA S S > S- 0 0 52 1,-0.1 4,-1.1 24,-0.0 3,-0.2 -0.712 78.6-102.4-125.9 178.2 10.8 27.7 11.8 17 20PA M H > S+ 0 0 146 -2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.877 115.8 65.2 -67.1 -35.7 13.2 26.4 9.1 18 21PA D H > S+ 0 0 126 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.856 105.2 44.5 -55.5 -38.8 16.2 27.6 11.2 19 22PA Q H > S+ 0 0 27 -3,-0.2 4,-3.0 2,-0.2 5,-0.4 0.758 102.1 65.6 -78.1 -30.8 15.2 25.0 13.9 20 23PA V H X S+ 0 0 12 -4,-1.1 4,-1.4 -3,-0.3 -2,-0.2 0.911 110.3 38.3 -56.2 -43.1 14.6 22.2 11.4 21 24PA K H X S+ 0 0 115 -4,-1.5 4,-2.3 2,-0.2 5,-0.3 0.904 115.0 55.3 -71.8 -45.7 18.3 22.3 10.6 22 25PA L H X S+ 0 0 56 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.943 113.6 38.3 -51.3 -58.1 19.2 22.9 14.2 23 26PA V H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.900 113.5 57.3 -68.2 -37.1 17.4 19.9 15.6 24 27PA H H X S+ 0 0 35 -4,-1.4 4,-1.4 -5,-0.4 -2,-0.2 0.918 108.9 42.7 -62.7 -50.9 18.3 17.6 12.6 25 28PA D H X S+ 0 0 71 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.862 113.1 54.2 -63.8 -40.0 22.1 18.0 13.0 26 29PA F H X S+ 0 0 30 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.948 107.1 49.5 -62.5 -47.2 21.9 17.6 16.8 27 30PA E H <>S+ 0 0 3 -4,-2.5 5,-2.8 1,-0.2 -1,-0.2 0.848 112.9 49.9 -56.5 -38.7 20.0 14.4 16.5 28 31PA N H ><5S+ 0 0 56 -4,-1.4 3,-1.0 3,-0.2 -2,-0.2 0.930 109.6 47.0 -71.2 -44.0 22.7 13.1 14.0 29 32PA D H 3<5S+ 0 0 133 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.767 116.0 46.5 -70.4 -25.4 25.7 14.0 16.1 30 33PA L T 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.524 109.7-131.1 -90.9 -3.9 24.1 12.4 19.1 31 34PA M T < 5 + 0 0 82 -3,-1.0 -3,-0.2 -5,-0.2 2,-0.2 0.936 43.3 171.5 50.3 52.8 23.2 9.4 16.9 32 35PA L < - 0 0 13 -5,-2.8 2,-1.1 -6,-0.1 223,-0.3 -0.543 42.0-106.0 -86.9 158.7 19.6 9.3 18.0 33 36PA D E -C 47 0A 16 14,-1.4 14,-3.4 -2,-0.2 2,-0.9 -0.737 34.9-161.9 -86.8 98.3 16.8 7.2 16.5 34 37PA V E +C 46 0A 34 -2,-1.1 12,-0.2 12,-0.2 3,-0.2 -0.735 15.0 177.7 -84.1 101.8 14.7 9.6 14.6 35 38PA W E S+ 0 0 21 10,-1.4 2,-0.3 -2,-0.9 11,-0.2 0.898 74.5 4.2 -70.0 -40.1 11.3 8.0 13.9 36 39PA S E S-C 45 0A 33 9,-2.1 9,-0.7 306,-0.0 -1,-0.3 -0.990 80.1-113.7-150.5 135.4 9.9 11.1 12.1 37 40PA D - 0 0 42 -2,-0.3 2,-0.3 7,-0.2 -17,-0.0 -0.369 30.4-118.5 -70.0 141.8 11.5 14.4 11.1 38 41PA A + 0 0 8 -2,-0.1 -25,-0.1 -18,-0.1 -14,-0.1 -0.617 40.8 161.6 -77.0 134.3 10.4 17.7 12.8 39 42PA V B > -D 42 0B 32 3,-1.0 3,-2.6 -2,-0.3 -25,-0.1 -0.972 50.5 -82.7-150.2 145.0 8.8 20.3 10.5 40 48PA P T 3 S+ 0 0 58 0, 0.0 -25,-0.1 0, 0.0 -27,-0.0 -0.245 118.6 18.2 -50.6 118.9 6.7 23.4 11.2 41 49PA G T 3 S+ 0 0 84 -27,-0.4 -26,-0.1 0, 0.0 -28,-0.0 0.237 124.1 56.4 101.5 -13.0 3.1 22.1 11.4 42 50PA R B < S-D 39 0B 72 -3,-2.6 -3,-1.0 -28,-0.2 -28,-0.0 -0.631 77.8-146.9-152.6 88.2 3.9 18.5 12.0 43 51PA P - 0 0 53 0, 0.0 -30,-0.2 0, 0.0 2,-0.1 -0.122 16.5-131.7 -55.8 146.4 6.1 17.6 15.0 44 52PA G E -A 12 0A 0 -32,-1.7 -32,-1.5 -9,-0.0 2,-0.4 -0.477 7.8-128.5-101.7 169.9 8.5 14.7 14.8 45 53PA K E -AC 11 36A 9 -9,-0.7 -9,-2.1 -34,-0.2 -10,-1.4 -0.972 21.5-177.8-121.0 138.4 9.3 11.8 17.1 46 54PA V E -AC 10 34A 0 -36,-1.9 -36,-2.6 -2,-0.4 2,-0.6 -1.000 23.9-134.1-138.7 137.0 12.7 10.6 18.4 47 55PA L E -AC 9 33A 4 -14,-3.4 -14,-1.4 -2,-0.4 -38,-0.2 -0.820 27.8-168.3 -89.8 115.5 13.8 7.7 20.6 48 56PA V E -A 8 0A 0 -40,-3.0 -40,-2.5 -2,-0.6 5,-0.1 -0.923 17.7-124.3-113.1 122.9 16.3 9.0 23.2 49 57PA P >> - 0 0 31 0, 0.0 3,-1.8 0, 0.0 4,-0.8 -0.214 24.9-113.5 -56.8 155.1 18.4 6.7 25.4 50 58PA K G >4 S+ 0 0 102 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.886 115.9 53.7 -60.6 -38.1 18.3 7.0 29.2 51 59PA F G 34 S+ 0 0 185 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.329 114.0 42.6 -82.2 9.9 22.0 8.2 29.4 52 60PA K G <> S+ 0 0 57 -3,-1.8 4,-2.4 2,-0.1 -1,-0.2 0.379 83.7 95.6-132.6 -0.5 21.3 11.0 26.9 53 61PA R H S+ 0 0 160 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.891 115.6 44.6 -70.4 -43.1 19.4 15.1 30.2 55 63PA I H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.864 112.6 54.0 -66.7 -38.4 21.8 16.3 27.5 56 64PA F H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.3 0.944 113.1 38.5 -63.7 -51.8 19.1 16.1 24.8 57 65PA E H X S+ 0 0 64 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.657 109.0 65.2 -80.1 -14.0 16.5 18.2 26.5 58 66PA N H X S+ 0 0 91 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.895 104.0 45.0 -68.1 -45.6 19.2 20.6 27.7 59 67PA F H X S+ 0 0 44 -4,-1.5 4,-1.2 -3,-0.3 -2,-0.2 0.871 111.6 51.5 -66.5 -41.5 20.0 21.6 24.2 60 68PA L H X>S+ 0 0 0 -4,-1.5 5,-2.0 2,-0.2 4,-0.5 0.856 109.0 52.7 -64.7 -40.9 16.4 22.0 23.2 61 69PA K H ><5S+ 0 0 148 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.937 112.4 42.4 -60.6 -44.9 15.8 24.3 26.2 62 70PA Q H 3<5S+ 0 0 135 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.633 114.8 52.9 -79.2 -14.0 18.7 26.6 25.4 63 71PA S H 3<5S- 0 0 32 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.475 109.5-120.7 -94.0 -9.5 17.7 26.6 21.7 64 72PA G T <<5 + 0 0 58 -3,-0.9 2,-0.5 -4,-0.5 -3,-0.2 0.650 62.4 145.4 77.1 18.1 14.1 27.6 22.3 65 73PA V < - 0 0 5 -5,-2.0 -1,-0.2 -6,-0.2 -51,-0.1 -0.759 46.9-127.3 -94.6 122.7 12.7 24.4 20.7 66 74PA Q E +B 13 0A 133 -53,-1.0 -53,-2.6 -2,-0.5 2,-0.3 -0.434 38.8 157.1 -64.3 142.6 9.6 22.9 22.2 67 75PA Y E -B 12 0A 77 -55,-0.2 2,-0.3 -2,-0.1 -55,-0.2 -0.980 16.9-168.0-155.3 167.5 9.5 19.3 23.2 68 76PA K E -B 11 0A 126 -57,-1.3 -57,-1.7 -2,-0.3 2,-0.5 -0.937 29.1-101.2-173.8 146.9 7.7 17.0 25.4 69 77PA L E +B 10 0A 65 -2,-0.3 -59,-0.2 -59,-0.2 3,-0.2 -0.471 35.4 164.0 -68.3 110.5 7.8 13.5 26.9 70 78PA E E S+ 0 0 44 -61,-2.2 2,-0.4 -2,-0.5 -60,-0.2 0.823 74.6 16.8 -92.5 -47.5 5.4 11.0 25.2 71 79PA V E -B 9 0A 13 -62,-1.6 -62,-2.1 1,-0.1 -1,-0.3 -0.962 57.1-169.4-133.8 118.1 6.8 7.7 26.6 72 80PA E S S+ 0 0 129 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.816 86.5 18.2 -78.8 -34.7 9.1 7.6 29.6 73 81PA N > - 0 0 35 1,-0.1 3,-1.1 -68,-0.1 4,-0.4 -0.833 60.9-168.6-140.7 102.9 10.0 3.9 29.1 74 82PA V T 3> S+ 0 0 0 -67,-2.5 4,-1.8 -2,-0.3 3,-0.3 0.593 77.9 82.8 -63.0 -12.0 9.4 2.3 25.8 75 83PA K H 3> S+ 0 0 21 -71,-0.6 4,-2.3 -68,-0.3 -1,-0.2 0.922 86.8 54.8 -60.5 -41.1 10.1 -1.1 27.3 76 84PA E H <> S+ 0 0 136 -3,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.829 107.5 49.5 -62.5 -34.2 6.5 -1.3 28.5 77 85PA Q H > S+ 0 0 21 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.864 110.6 50.4 -74.0 -33.7 5.2 -0.7 25.0 78 86PA L H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.909 109.0 51.1 -70.1 -42.5 7.4 -3.4 23.6 79 87PA E H X S+ 0 0 88 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.893 108.5 52.3 -65.6 -33.3 6.3 -6.0 26.2 80 88PA L H X S+ 0 0 35 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.889 106.3 52.7 -69.7 -41.6 2.7 -5.2 25.4 81 89PA E H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.946 109.3 50.0 -60.5 -45.5 3.2 -5.8 21.7 82 90PA D H X S+ 0 0 86 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.898 112.3 48.0 -55.3 -45.5 4.8 -9.2 22.5 83 91PA Q H X S+ 0 0 136 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.948 115.2 44.7 -62.8 -44.9 1.7 -10.0 24.7 84 92PA L H X S+ 0 0 49 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.851 117.2 43.7 -70.2 -35.8 -0.7 -8.9 22.0 85 93PA L H X S+ 0 0 22 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.864 110.6 55.7 -78.8 -32.6 1.1 -10.7 19.1 86 94PA A H X S+ 0 0 63 -4,-2.5 4,-1.1 -5,-0.3 -2,-0.2 0.899 108.8 46.8 -67.1 -39.5 1.6 -13.9 21.2 87 95PA A H X S+ 0 0 63 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.847 111.2 52.0 -72.7 -32.3 -2.1 -14.2 21.9 88 96PA A H X S+ 0 0 17 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.839 108.6 51.1 -71.5 -33.6 -2.9 -13.6 18.3 89 97PA A H < S+ 0 0 50 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 107.5 54.1 -74.4 -25.0 -0.5 -16.3 17.2 90 98PA A H < S+ 0 0 88 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.805 114.3 38.8 -78.1 -33.2 -2.1 -18.8 19.7 91 99PA K H < S+ 0 0 175 -4,-1.3 -2,-0.2 11,-0.1 -1,-0.2 0.614 93.5 113.4 -90.9 -17.5 -5.6 -18.3 18.3 92 100PA S < - 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