==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-10 3MRU . COMPND 2 MOLECULE: AMINOACYL-HISTIDINE DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO ALGINOLYTICUS; . AUTHOR C.-Y.CHANG,Y.-C.HSIEH,T.-K.WU,C.-J.CHEN . 980 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 667 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 19.9 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 76 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 3 0 0 1 0 1 1 3 2 2 1 0 2 3 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 4 1 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 PARALLEL BRIDGES PER LADDER . 9 9 1 4 2 5 1 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 2 0 0 0 0 4 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 1 A M 0 0 166 0, 0.0 3,-0.2 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 -68.2 -23.7 31.8 -25.1 2 2 A S + 0 0 93 1,-0.2 2,-1.8 102,-0.1 3,-0.2 0.885 360.0 55.0 -88.1 -48.4 -20.5 33.6 -24.5 3 3 A E > + 0 0 79 101,-0.3 3,-0.7 1,-0.2 101,-0.3 -0.535 69.6 154.6 -85.5 71.6 -18.3 30.6 -23.7 4 4 A F T 3 + 0 0 161 -2,-1.8 -1,-0.2 -3,-0.2 -2,-0.1 0.751 66.5 46.1 -77.1 -26.2 -19.2 28.9 -26.9 5 5 A H T 3 S+ 0 0 173 -3,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.382 82.6 122.9 -98.6 5.8 -16.0 26.8 -27.3 6 6 A S < - 0 0 65 -3,-0.7 2,-0.5 98,-0.1 98,-0.2 -0.517 53.0-140.4 -79.0 126.8 -15.9 25.5 -23.7 7 7 A E > - 0 0 88 -2,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.731 7.6-150.1 -91.7 127.4 -15.9 21.7 -23.2 8 8 A I G > S+ 0 0 6 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.864 98.4 62.0 -54.4 -38.2 -17.9 20.1 -20.4 9 9 A S G 3 S+ 0 0 27 1,-0.3 -1,-0.3 9,-0.1 9,-0.2 0.395 99.5 55.7 -75.8 7.0 -15.3 17.3 -20.2 10 10 A T G < S+ 0 0 108 -3,-1.7 -1,-0.3 7,-0.1 2,-0.2 0.288 78.8 107.3-121.8 7.8 -12.6 19.7 -19.3 11 11 A L S < S- 0 0 32 -3,-1.4 6,-0.3 3,-0.2 7,-0.1 -0.534 81.4 -68.2 -74.6 149.2 -14.2 21.3 -16.2 12 12 A S S S+ 0 0 69 1,-0.2 461,-0.2 -2,-0.2 460,-0.1 -0.763 123.2 38.7 -94.5 140.1 -12.5 20.2 -13.0 13 13 A P S >> S- 0 0 15 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.282 81.9-171.5 -83.9 125.4 -12.5 17.5 -11.6 14 14 A A H 3> S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.880 73.6 60.7 -57.4 -49.6 -12.2 16.2 -15.2 15 15 A P H 3> S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.860 113.2 38.7 -48.6 -42.5 -12.6 12.5 -14.6 16 16 A L H <> S+ 0 0 1 -3,-0.6 4,-3.2 2,-0.2 -2,-0.2 0.917 114.6 51.4 -74.0 -44.2 -16.1 13.0 -13.2 17 17 A W H X S+ 0 0 1 -4,-1.9 4,-1.4 -6,-0.3 -1,-0.2 0.716 110.2 52.3 -66.6 -22.9 -17.2 15.8 -15.6 18 18 A Q H X S+ 0 0 108 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.904 109.7 47.6 -72.1 -49.9 -16.1 13.4 -18.4 19 19 A F H X S+ 0 0 23 -4,-1.9 4,-3.1 -5,-0.3 -2,-0.2 0.892 111.6 51.5 -57.9 -40.3 -18.3 10.7 -16.9 20 20 A F H X S+ 0 0 1 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.900 106.2 53.0 -62.6 -40.2 -21.0 13.2 -16.6 21 21 A D H X S+ 0 0 37 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.918 112.9 46.2 -62.4 -37.5 -20.6 14.2 -20.3 22 22 A K H >X S+ 0 0 86 -4,-2.3 3,-0.9 2,-0.2 4,-0.9 0.948 110.6 50.3 -68.8 -51.5 -20.9 10.5 -21.1 23 23 A I H 3< S+ 0 0 2 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.840 108.5 55.0 -49.2 -38.6 -24.0 10.0 -18.8 24 24 A C H 3< S+ 0 0 1 -4,-2.4 76,-3.0 1,-0.2 -1,-0.2 0.803 102.2 58.6 -64.3 -30.6 -25.6 13.0 -20.6 25 25 A S H << S+ 0 0 56 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.703 98.2 63.3 -77.6 -23.3 -25.1 11.3 -24.0 26 26 A I S < S- 0 0 26 -4,-0.9 2,-0.2 -3,-0.5 -1,-0.1 -0.909 90.5-118.8-111.5 114.7 -27.1 8.2 -23.2 27 27 A P + 0 0 25 0, 0.0 9,-0.1 0, 0.0 -3,-0.1 -0.259 40.0 162.4 -54.6 114.1 -30.9 8.6 -22.5 28 28 A H + 0 0 4 -2,-0.2 55,-2.6 -5,-0.1 5,-0.1 -0.503 2.9 158.9-133.2 70.6 -32.0 7.6 -19.0 29 29 A P B > -a 83 0A 9 0, 0.0 3,-2.4 0, 0.0 55,-0.2 -0.378 63.4 -60.3 -81.0 172.8 -35.4 8.9 -17.8 30 30 A S T 3 S+ 0 0 17 53,-0.8 117,-0.0 1,-0.3 54,-0.0 -0.152 128.6 17.0 -53.7 143.5 -37.2 7.0 -15.0 31 31 A K T 3 S+ 0 0 159 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.345 111.1 80.3 74.8 -2.7 -38.0 3.4 -16.0 32 32 A H < + 0 0 87 -3,-2.4 4,-0.3 1,-0.1 -2,-0.1 0.012 47.4 124.2-123.1 27.2 -35.5 3.5 -19.0 33 33 A E >> + 0 0 9 -5,-0.1 3,-2.5 2,-0.1 4,-2.1 0.812 46.8 94.6 -52.6 -39.7 -32.3 2.9 -17.0 34 34 A E T 34 S+ 0 0 105 1,-0.3 23,-0.0 2,-0.2 0, 0.0 -0.505 79.5 49.2 -62.1 116.1 -31.5 -0.2 -19.1 35 35 A A T 3> S+ 0 0 56 -2,-0.4 4,-0.9 -7,-0.1 -1,-0.3 -0.367 118.6 40.3 139.8 -48.5 -29.2 1.4 -21.7 36 36 A L H <> S+ 0 0 0 -3,-2.5 4,-2.7 -4,-0.3 -2,-0.2 0.735 108.7 58.2 -97.6 -32.0 -27.1 3.1 -19.0 37 37 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -3,-0.2 0.947 109.5 47.9 -62.2 -44.9 -27.1 0.2 -16.5 38 38 A Q H > S+ 0 0 93 -5,-0.2 4,-3.3 2,-0.2 5,-0.4 0.959 109.2 51.6 -57.6 -55.4 -25.5 -1.9 -19.3 39 39 A Y H X S+ 0 0 55 -4,-0.9 4,-3.1 1,-0.2 5,-0.2 0.928 111.7 47.2 -52.2 -51.7 -22.9 0.7 -20.1 40 40 A I H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.961 116.1 44.3 -55.5 -54.5 -21.9 1.1 -16.5 41 41 A V H X S+ 0 0 17 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.966 115.0 45.6 -58.1 -55.7 -21.7 -2.7 -16.0 42 42 A T H X S+ 0 0 69 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.917 116.6 49.5 -52.9 -41.8 -19.8 -3.5 -19.3 43 43 A W H X S+ 0 0 23 -4,-3.1 4,-1.2 -5,-0.4 -2,-0.2 0.969 110.3 48.0 -57.4 -54.8 -17.6 -0.5 -18.4 44 44 A A H <>S+ 0 0 0 -4,-3.4 5,-2.3 -5,-0.2 -1,-0.2 0.761 109.5 54.9 -66.3 -23.9 -16.9 -1.7 -14.9 45 45 A T H ><5S+ 0 0 89 -4,-2.6 3,-4.8 -5,-0.2 -1,-0.2 0.989 102.1 55.8 -64.0 -59.5 -16.2 -5.2 -16.3 46 46 A E H 3<5S+ 0 0 157 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.716 107.4 50.6 -43.9 -30.6 -13.5 -3.8 -18.7 47 47 A Q T 3<5S- 0 0 98 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.457 121.9-113.3 -88.5 -3.8 -11.8 -2.3 -15.6 48 48 A G T < 5 + 0 0 66 -3,-4.8 2,-0.3 1,-0.2 -3,-0.2 0.910 61.5 151.6 74.6 46.2 -12.0 -5.7 -13.9 49 49 A F < - 0 0 35 -5,-2.3 2,-1.1 -4,-0.2 -1,-0.2 -0.731 55.9-111.0 -99.5 153.9 -14.4 -5.0 -11.1 50 50 A D E -B 62 0B 114 12,-1.0 12,-2.0 -2,-0.3 2,-0.5 -0.761 48.3-179.7 -82.9 112.7 -16.7 -7.6 -9.6 51 51 A V E +B 61 0B 32 -2,-1.1 2,-0.3 10,-0.2 10,-0.2 -0.948 7.0 167.2-120.9 118.1 -19.9 -6.2 -11.0 52 52 A R E -B 60 0B 63 8,-1.5 8,-1.8 -2,-0.5 2,-0.3 -0.892 21.3-144.9-126.3 154.5 -23.3 -7.9 -10.2 53 53 A R E -B 59 0B 68 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.789 15.6-131.5-110.9 160.6 -26.9 -6.9 -10.6 54 54 A D > - 0 0 11 4,-1.4 3,-2.1 -2,-0.3 105,-0.0 -0.668 32.4 -97.1-104.4 165.2 -29.8 -7.8 -8.3 55 55 A P T 3 S+ 0 0 129 0, 0.0 104,-0.1 0, 0.0 -1,-0.0 0.820 123.0 49.4 -44.6 -39.4 -33.3 -9.1 -9.2 56 56 A T T 3 S- 0 0 38 99,-0.1 91,-0.2 2,-0.1 103,-0.1 0.247 121.2-100.9 -92.3 13.9 -34.8 -5.6 -9.1 57 57 A G < + 0 0 12 -3,-2.1 2,-0.3 1,-0.2 98,-0.1 0.729 69.2 140.1 80.3 25.7 -32.2 -3.9 -11.3 58 58 A N - 0 0 0 88,-0.1 -4,-1.4 97,-0.1 2,-0.4 -0.778 45.6-128.5-103.2 145.9 -29.8 -2.0 -9.1 59 59 A V E -BC 53 145B 0 86,-2.1 86,-2.7 -2,-0.3 2,-0.4 -0.778 21.0-172.5-102.2 136.5 -26.0 -2.1 -9.9 60 60 A F E -BC 52 144B 1 -8,-1.8 -8,-1.5 -2,-0.4 2,-0.4 -0.998 2.7-173.9-129.6 130.4 -23.4 -3.0 -7.3 61 61 A I E -BC 51 143B 0 82,-1.4 82,-1.2 -2,-0.4 2,-0.6 -0.981 10.2-150.6-136.1 123.3 -19.7 -2.6 -8.1 62 62 A K E +BC 50 142B 108 -12,-2.0 -12,-1.0 -2,-0.4 80,-0.2 -0.810 15.3 175.7-104.6 122.3 -16.9 -3.7 -5.8 63 63 A K E - C 0 141B 21 78,-3.0 78,-2.6 -2,-0.6 3,-0.1 -0.985 25.2-133.4-121.7 124.3 -13.5 -2.1 -5.6 64 64 A P - 0 0 98 0, 0.0 74,-0.1 0, 0.0 6,-0.1 -0.302 37.8 -83.2 -70.0 155.4 -10.9 -3.4 -3.0 65 65 A A - 0 0 23 4,-0.1 74,-0.2 1,-0.1 5,-0.1 -0.138 40.3-111.1 -54.0 146.6 -9.0 -1.0 -0.8 66 66 A T > - 0 0 24 72,-2.2 3,-1.7 1,-0.1 -1,-0.1 -0.559 60.7 -71.3 -69.5 147.9 -5.8 0.8 -2.0 67 67 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 72,-0.0 -0.192 121.6 37.2 -44.8 124.1 -2.7 -0.6 -0.1 68 68 A G T 3 S+ 0 0 66 -3,-0.1 3,-0.2 69,-0.0 71,-0.1 -0.078 107.7 58.8 120.4 -36.4 -2.8 0.6 3.5 69 69 A M X + 0 0 43 -3,-1.7 3,-1.4 69,-0.3 -4,-0.1 -0.112 58.0 121.7-122.3 33.8 -6.5 0.5 4.4 70 70 A E T 3 + 0 0 142 1,-0.3 -1,-0.1 69,-0.1 3,-0.1 0.680 57.3 85.9 -62.2 -19.0 -7.1 -3.2 3.8 71 71 A N T 3 S- 0 0 61 -3,-0.2 418,-0.6 1,-0.2 -1,-0.3 0.512 94.4-149.5 -62.1 -3.7 -8.1 -3.1 7.5 72 72 A K < - 0 0 130 -3,-1.4 -1,-0.2 416,-0.2 417,-0.2 0.009 45.1-174.6 67.0-168.9 -11.4 -2.1 5.9 73 73 A K - 0 0 18 415,-0.2 95,-0.3 -3,-0.1 94,-0.3 -0.014 42.8-135.2 157.8 -16.1 -14.2 0.1 7.1 74 74 A G - 0 0 10 92,-0.2 94,-0.7 1,-0.1 2,-0.3 0.803 23.7-164.8 41.4 122.6 -16.4 -0.7 4.1 75 75 A V E -de 141 168B 4 65,-1.1 67,-2.5 92,-0.1 2,-0.5 -0.953 12.5-149.7-134.2 152.9 -18.2 2.2 2.4 76 76 A V E -de 142 169B 0 92,-0.5 94,-3.5 -2,-0.3 2,-0.3 -0.921 6.4-160.5-129.5 106.8 -21.1 2.4 -0.1 77 77 A L E -de 143 170B 0 65,-2.2 67,-3.4 -2,-0.5 2,-0.4 -0.678 22.5-169.5 -81.0 134.9 -21.3 5.3 -2.5 78 78 A Q E +de 144 171B 0 92,-2.8 94,-2.1 -2,-0.3 2,-0.3 -0.985 23.5 144.6-143.6 138.8 -24.8 5.8 -3.9 79 79 A A E -d 145 0B 0 65,-1.8 67,-2.2 -2,-0.4 2,-0.4 -0.886 41.5-109.7-150.7 172.9 -26.7 7.6 -6.5 80 80 A H E -d 146 0B 2 -2,-0.3 67,-0.2 65,-0.2 44,-0.2 -0.939 13.7-147.8-119.9 145.2 -29.7 6.8 -8.7 81 81 A I + 0 0 2 65,-2.5 66,-0.2 -2,-0.4 -1,-0.1 0.857 68.5 88.6 -80.3 -43.4 -29.5 6.2 -12.5 82 82 A D - 0 0 1 64,-0.5 2,-0.2 1,-0.1 -2,-0.1 -0.275 58.8-159.4 -65.0 145.9 -32.8 7.6 -13.7 83 83 A M B -a 29 0A 5 -55,-2.6 -53,-0.8 37,-0.1 67,-0.2 -0.390 27.3-100.1-104.9-174.3 -33.1 11.2 -14.6 84 84 A V - 0 0 16 -55,-0.2 2,-0.9 -2,-0.2 31,-0.2 -0.976 27.7-133.8-119.0 123.6 -36.4 13.2 -14.8 85 85 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 29,-0.0 -0.607 44.9 141.1 -78.5 103.3 -38.0 13.8 -18.2 86 86 A Q - 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0 0 4 -3,-2.3 -354,-0.4 -6,-0.3 2,-0.4 -0.250 24.4-177.6 -48.4 110.0 -36.4 30.5 53.7 957 466 B K E - K 0 949L 73 -8,-2.5 -8,-4.0 -356,-0.1 2,-0.3 -0.955 9.7-157.3-114.3 134.5 -33.0 32.3 53.3 958 467 B V E -JK 600 948L 0 -358,-0.9 -358,-1.3 -2,-0.4 2,-0.6 -0.894 21.8-117.4-115.2 144.2 -32.8 35.6 51.3 959 468 B K E >> -J 599 0L 51 -12,-2.8 4,-1.0 -2,-0.3 3,-0.6 -0.675 19.9-152.3 -90.5 116.4 -29.6 37.0 49.8 960 469 B I H >> S+ 0 0 30 -362,-3.4 3,-1.5 -2,-0.6 4,-0.9 0.922 90.9 48.0 -53.9 -55.3 -28.8 40.3 51.4 961 470 B D H 3> S+ 0 0 68 -363,-0.4 4,-1.8 1,-0.3 -1,-0.3 0.755 104.4 61.3 -60.0 -27.7 -26.9 41.9 48.5 962 471 B T H <> S+ 0 0 2 -3,-0.6 4,-3.4 1,-0.2 -1,-0.3 0.762 95.1 61.7 -74.0 -23.0 -29.6 40.9 46.0 963 472 B V H S+ 0 0 10 -4,-1.9 4,-2.7 -3,-0.3 5,-0.6 0.897 107.9 61.2 -71.5 -40.7 -33.7 48.3 39.3 970 479 B M H X5S+ 0 0 1 -4,-2.3 4,-0.8 -5,-0.3 -2,-0.2 0.859 116.3 33.6 -54.6 -35.6 -36.9 49.0 41.1 971 480 B V H X5S+ 0 0 19 -4,-1.9 4,-2.1 -5,-0.2 5,-0.3 0.907 113.1 61.0 -81.6 -46.5 -35.7 52.7 41.2 972 481 B A H X5S+ 0 0 39 -4,-3.5 4,-1.5 1,-0.2 -2,-0.2 0.901 114.6 32.7 -43.0 -55.5 -33.9 52.6 37.8 973 482 B L H <5S+ 0 0 10 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.879 108.8 65.5 -82.8 -35.1 -36.9 51.8 35.8 974 483 B L H ><