==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JAN-02 1KWM . COMPND 2 MOLECULE: PROCARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.J.B.PEREIRA,S.SEGURA-MARTIN,C.FERRER-ORTA,J.VENDRELL,F.- . 804 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 9.3 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 47 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 4 0 4 2 0 2 2 2 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 4 0 2 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 . 0 0 4 3 1 0 4 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 2 0 0 0 2 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 1AA H > 0 0 121 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.3 16.0 -17.1 -14.2 2 2AA H T 3 - 0 0 101 1,-0.3 88,-0.0 2,-0.1 0, 0.0 0.696 360.0 -64.4 67.5 27.5 13.5 -15.5 -11.8 3 3AA G T > S+ 0 0 30 1,-0.0 3,-1.4 212,-0.0 4,-0.5 0.466 102.5 129.7 79.4 2.9 11.6 -13.8 -14.6 4 4AA G G X + 0 0 0 -3,-1.3 3,-1.9 1,-0.3 -2,-0.1 0.850 60.9 68.4 -58.6 -32.4 14.7 -11.7 -15.4 5 5AA E G > S+ 0 0 127 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.859 90.3 62.3 -56.5 -34.0 14.4 -12.6 -19.0 6 6AA H G < S+ 0 0 152 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.718 103.8 49.7 -65.1 -18.5 11.2 -10.6 -19.3 7 7AA F G X S+ 0 0 21 -3,-1.9 3,-2.2 -4,-0.5 76,-0.9 0.193 75.3 144.6-109.2 16.8 13.1 -7.4 -18.5 8 8AA E T < S+ 0 0 105 -3,-1.7 50,-0.2 1,-0.3 3,-0.1 -0.366 76.3 7.5 -58.1 127.6 15.9 -7.9 -20.9 9 9AA G T 3 S+ 0 0 24 1,-0.3 -1,-0.3 49,-0.1 52,-0.1 0.354 95.1 133.8 86.1 -8.6 17.0 -4.5 -22.3 10 10AA E < - 0 0 17 -3,-2.2 72,-2.9 49,-0.0 2,-0.3 -0.472 37.6-159.9 -76.9 154.5 14.8 -2.5 -19.9 11 11AA K E -A 56 0A 53 45,-1.6 45,-2.9 70,-0.2 2,-0.5 -0.945 17.1-142.9-132.5 152.9 16.4 0.5 -18.1 12 12AA V E -AB 55 79A 0 67,-2.2 67,-1.8 -2,-0.3 66,-1.5 -0.981 25.7-163.4-114.3 123.1 15.8 2.6 -15.0 13 13AA F E -AB 54 77A 0 41,-2.7 41,-2.1 -2,-0.5 2,-0.5 -0.772 14.8-152.8-102.7 150.8 16.6 6.3 -15.4 14 14AA R E -AB 53 76A 52 62,-2.9 62,-2.6 -2,-0.3 2,-0.4 -0.993 20.6-174.6-119.7 120.9 17.1 9.0 -12.9 15 15AA V E -AB 52 75A 0 37,-2.6 37,-2.0 -2,-0.5 2,-0.5 -0.944 17.9-140.0-118.2 131.9 16.2 12.5 -14.2 16 16AA N E -A 51 0A 35 58,-3.1 2,-0.4 -2,-0.4 58,-0.3 -0.783 17.2-164.2 -86.9 134.2 16.7 15.8 -12.5 17 17AA V E +A 50 0A 0 33,-3.1 33,-1.6 -2,-0.5 32,-0.5 -0.953 17.4 172.2-116.9 136.5 13.9 18.4 -12.9 18 18AA E + 0 0 81 -2,-0.4 2,-0.3 31,-0.2 -1,-0.1 0.551 65.5 8.6-112.4 -14.5 14.4 22.0 -12.1 19 19AA D S > S- 0 0 70 29,-0.1 4,-1.8 28,-0.1 -1,-0.2 -0.929 83.7 -86.5-158.9 178.2 11.2 23.6 -13.3 20 20AA E H > S+ 0 0 98 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.770 121.2 58.3 -70.3 -26.8 7.7 22.9 -14.7 21 21AA N H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 105.6 49.3 -69.3 -39.8 9.0 22.7 -18.2 22 22AA H H > S+ 0 0 40 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.931 113.4 47.8 -56.8 -42.2 11.3 19.9 -17.2 23 23AA I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.918 107.2 55.3 -68.7 -37.0 8.3 18.3 -15.6 24 24AA N H X S+ 0 0 73 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.817 102.8 57.3 -67.2 -27.8 6.1 18.8 -18.6 25 25AA I H X S+ 0 0 18 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.909 108.9 45.0 -67.5 -37.2 8.7 17.0 -20.7 26 26AA I H X S+ 0 0 3 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.914 111.9 53.4 -68.6 -39.3 8.4 13.9 -18.5 27 27AA R H X S+ 0 0 99 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.926 110.4 46.0 -57.1 -45.9 4.6 14.2 -18.5 28 28AA E H X S+ 0 0 120 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.877 112.0 52.9 -65.3 -36.9 4.6 14.3 -22.3 29 29AA L H >X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 3,-1.1 0.953 108.9 48.7 -60.6 -48.1 7.0 11.3 -22.3 30 30AA A H 3< S+ 0 0 32 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.763 106.6 57.7 -64.7 -27.2 4.7 9.4 -20.0 31 31AA S H 3< S+ 0 0 83 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.657 118.2 29.3 -79.0 -19.8 1.7 10.1 -22.2 32 32AA T H << S+ 0 0 91 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.2 0.510 122.1 46.2-118.0 -15.1 3.2 8.6 -25.3 33 33AA T S < S- 0 0 15 -4,-2.2 2,-0.9 -5,-0.2 -1,-0.2 -0.955 89.2-105.2-130.4 153.3 5.5 5.9 -23.9 34 34AA Q + 0 0 123 -2,-0.3 23,-0.8 -3,-0.1 2,-0.4 -0.691 45.5 179.9 -83.4 106.9 4.8 3.3 -21.2 35 35AA I E -C 56 0A 29 -2,-0.9 2,-0.8 -5,-0.3 21,-0.2 -0.933 22.3-154.7-116.3 127.2 6.7 4.6 -18.1 36 36AA D E -C 55 0A 16 19,-2.5 19,-3.0 -2,-0.4 2,-0.3 -0.889 20.7-147.0-100.7 100.1 6.8 2.8 -14.7 37 37AA F E +C 54 0A 16 -2,-0.8 17,-0.3 4,-0.3 6,-0.0 -0.562 23.8 173.3 -72.3 131.8 7.4 5.5 -12.1 38 38AA W E + 0 0 1 15,-2.9 16,-0.2 -2,-0.3 -1,-0.2 0.808 65.1 41.9-100.5 -49.5 9.5 4.3 -9.1 39 39AA K E S+C 53 0A 37 14,-1.9 14,-3.1 2,-0.1 -1,-0.3 -0.872 121.5 21.4-148.6 114.8 10.1 7.6 -7.2 40 40AA P S S- 0 0 12 0, 0.0 13,-0.1 0, 0.0 6,-0.1 0.617 91.7-125.7 -69.9-173.2 7.8 9.5 -7.0 41 41AA D S S+ 0 0 16 -2,-0.2 2,-0.3 1,-0.1 -4,-0.3 0.662 83.9 10.6 -73.8 -20.9 4.9 7.2 -7.5 42 42AA S S > S- 0 0 16 1,-0.1 3,-1.7 -6,-0.1 4,-0.1 -0.985 74.6-107.7-158.5 156.6 3.4 9.3 -10.3 43 43AA V G > S+ 0 0 24 -2,-0.3 3,-1.4 1,-0.3 -16,-0.1 0.804 116.0 63.2 -60.7 -28.7 4.0 12.2 -12.7 44 44AA T G 3 S+ 0 0 76 1,-0.2 -1,-0.3 -17,-0.0 203,-0.1 0.650 97.0 58.8 -72.3 -10.3 1.6 14.3 -10.7 45 45AA Q G < S+ 0 0 14 -3,-1.7 2,-0.4 202,-0.1 -1,-0.2 0.311 77.1 116.8 -99.5 4.2 3.9 14.0 -7.6 46 46AA I < - 0 0 14 -3,-1.4 6,-0.1 -4,-0.1 295,-0.0 -0.637 47.1-161.2 -81.7 127.0 7.0 15.5 -9.2 47 47AA K - 0 0 91 -2,-0.4 3,-0.4 4,-0.1 -30,-0.2 -0.720 29.2 -91.3-101.4 153.1 8.3 18.8 -7.6 48 48AA P S S+ 0 0 55 0, 0.0 -30,-0.2 0, 0.0 -29,-0.1 -0.263 111.8 22.9 -54.6 143.7 10.6 21.5 -8.9 49 49AA H S S+ 0 0 138 -32,-0.5 2,-0.3 1,-0.2 -31,-0.2 0.964 103.2 110.7 60.9 51.1 14.2 20.8 -8.0 50 50AA S E -A 17 0A 29 -33,-1.6 -33,-3.1 -3,-0.4 2,-0.3 -0.881 63.3-113.2-141.6 175.6 13.8 17.1 -7.5 51 51AA T E -A 16 0A 58 -2,-0.3 2,-0.4 -35,-0.2 -35,-0.2 -0.863 19.0-153.3-114.2 155.3 14.8 13.8 -9.1 52 52AA V E -A 15 0A 0 -37,-2.0 -37,-2.6 -2,-0.3 2,-0.4 -0.999 3.1-160.7-128.5 125.6 12.5 11.2 -10.8 53 53AA D E +AC 14 39A 4 -14,-3.1 -15,-2.9 -2,-0.4 -14,-1.9 -0.930 23.1 161.0-108.4 130.8 13.3 7.5 -11.0 54 54AA F E -AC 13 37A 0 -41,-2.1 -41,-2.7 -2,-0.4 2,-0.4 -0.998 34.4-126.0-155.6 149.9 11.4 5.4 -13.6 55 55AA R E -AC 12 36A 38 -19,-3.0 -19,-2.5 -2,-0.3 2,-0.4 -0.767 23.8-160.7 -98.2 135.3 11.5 2.2 -15.6 56 56AA V E -AC 11 35A 0 -45,-2.9 -45,-1.6 -2,-0.4 -21,-0.1 -0.941 21.8-112.1-120.8 136.0 11.4 2.1 -19.4 57 57AA K >> - 0 0 62 -23,-0.8 3,-2.3 -2,-0.4 4,-0.8 -0.316 31.4-115.1 -63.4 147.9 10.5 -0.8 -21.7 58 58AA A G >4 S+ 0 0 42 1,-0.3 3,-1.1 -50,-0.2 4,-0.4 0.888 115.6 53.4 -54.9 -45.7 13.3 -2.1 -23.9 59 59AA E G 34 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.591 113.3 46.0 -67.5 -8.1 11.7 -1.0 -27.1 60 60AA D G <> S+ 0 0 30 -3,-2.3 4,-2.6 2,-0.1 5,-0.3 0.468 81.3 93.2-111.4 -6.8 11.4 2.6 -25.7 61 61AA T H S+ 0 0 94 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.986 111.7 48.6 -67.2 -48.2 16.2 4.9 -27.2 63 63AA T H > S+ 0 0 70 -4,-0.2 4,-2.0 1,-0.2 5,-0.2 0.944 113.6 46.1 -50.1 -56.2 13.3 7.2 -27.6 64 64AA V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.940 113.3 48.2 -57.1 -45.9 13.3 8.2 -24.0 65 65AA E H X S+ 0 0 35 -4,-2.4 4,-3.1 -5,-0.3 -1,-0.2 0.888 109.8 52.1 -68.6 -34.1 17.0 8.8 -23.9 66 66AA N H X S+ 0 0 72 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.805 109.4 50.6 -70.1 -31.7 17.0 10.9 -27.1 67 67AA V H X S+ 0 0 29 -4,-2.0 4,-2.3 -5,-0.3 6,-0.2 0.921 111.5 48.3 -68.2 -41.8 14.2 13.0 -25.6 68 68AA L H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 -2,-0.2 0.957 115.5 43.8 -63.4 -47.1 16.3 13.5 -22.5 69 69AA K H ><5S+ 0 0 115 -4,-3.1 3,-1.6 3,-0.2 -1,-0.2 0.936 112.6 51.9 -62.2 -44.8 19.3 14.4 -24.5 70 70AA Q H 3<5S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.900 112.8 44.0 -63.6 -36.3 17.4 16.7 -26.9 71 71AA N T 3<5S- 0 0 70 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.463 111.5-127.0 -88.2 5.5 15.9 18.7 -24.1 72 72AA E T < 5 + 0 0 175 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.871 46.9 169.7 56.0 39.8 19.3 18.6 -22.5 73 73AA L < - 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