==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAR-12 4ECP . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM LEPRAE; . AUTHOR SSGCID,SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DIS . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 6 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 0 A M 0 0 140 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 82.6 28.9 -8.3 18.0 2 1 A V + 0 0 53 75,-0.1 2,-0.3 2,-0.0 146,-0.0 -0.538 360.0 159.5 -73.0 129.2 26.9 -5.2 18.8 3 2 A Q + 0 0 83 -2,-0.3 2,-0.3 73,-0.2 73,-0.2 -0.992 8.0 164.2-148.9 161.5 23.2 -5.5 18.2 4 3 A F E -A 75 0A 24 71,-2.2 71,-2.9 -2,-0.3 2,-0.4 -0.961 38.7 -85.8-162.4 170.8 20.0 -3.8 19.4 5 4 A D E -A 74 0A 73 -2,-0.3 42,-2.4 42,-0.2 2,-0.5 -0.786 33.7-161.3 -93.7 134.1 16.3 -3.3 18.7 6 5 A V E -AB 73 46A 0 67,-2.6 67,-2.4 -2,-0.4 2,-0.6 -0.947 7.9-149.9-110.1 129.3 15.2 -0.6 16.3 7 6 A T E -AB 72 45A 9 38,-2.6 38,-2.2 -2,-0.5 2,-0.3 -0.911 21.0-135.5 -92.7 123.7 11.7 0.8 16.3 8 7 A I E + B 0 44A 0 63,-3.1 62,-3.4 -2,-0.6 36,-0.3 -0.611 29.7 170.7 -78.6 134.9 10.7 1.9 12.8 9 8 A E E S+ 0 0 13 34,-3.4 35,-0.2 -2,-0.3 -1,-0.2 0.732 70.3 29.6-104.6 -40.9 8.9 5.3 12.6 10 9 A I E S- B 0 43A 0 33,-2.6 33,-2.6 58,-0.1 -1,-0.3 -0.966 75.3-136.9-132.5 117.2 8.9 5.8 8.9 11 10 A P > - 0 0 9 0, 0.0 3,-1.6 0, 0.0 28,-0.2 -0.429 39.0 -91.4 -69.2 147.8 8.8 3.2 6.2 12 11 A K T 3 S+ 0 0 83 1,-0.2 30,-0.1 28,-0.1 3,-0.1 -0.251 112.5 28.5 -51.7 136.5 11.1 3.5 3.1 13 12 A G T 3 S+ 0 0 51 26,-2.9 -1,-0.2 1,-0.3 2,-0.2 0.347 90.3 131.3 93.0 -4.0 9.4 5.4 0.3 14 13 A Q < - 0 0 61 -3,-1.6 25,-2.3 25,-0.1 -1,-0.3 -0.525 42.6-168.8 -83.8 146.6 7.1 7.5 2.5 15 14 A R + 0 0 58 23,-0.2 18,-2.5 -2,-0.2 2,-0.6 0.485 69.4 91.9-105.8 -8.7 6.6 11.3 2.2 16 15 A N E S-G 32 0B 50 16,-0.2 2,-1.0 1,-0.0 16,-0.2 -0.748 72.5-145.3 -84.4 124.0 4.7 11.4 5.6 17 16 A K E -G 31 0B 26 14,-3.1 13,-2.7 -2,-0.6 14,-1.1 -0.763 22.9-175.7 -93.0 97.4 7.2 12.1 8.4 18 17 A Y E -G 29 0B 59 -2,-1.0 2,-0.3 11,-0.2 11,-0.2 -0.587 3.1-170.9 -87.8 154.0 5.9 10.1 11.4 19 18 A E E -G 28 0B 69 9,-2.8 9,-3.0 -2,-0.2 2,-0.5 -0.997 22.7-122.5-141.4 148.5 7.5 10.3 14.9 20 19 A V E -G 27 0B 17 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.778 21.8-132.9 -86.9 128.6 7.1 8.3 18.1 21 20 A D >> - 0 0 51 5,-3.1 4,-3.7 -2,-0.5 3,-0.9 -0.741 18.1-157.1 -73.4 110.5 6.2 10.4 21.1 22 21 A H T 34 S+ 0 0 86 -2,-0.8 -1,-0.1 1,-0.2 -2,-0.0 0.652 87.0 55.8 -72.4 -13.5 8.7 8.9 23.6 23 22 A K T 34 S+ 0 0 97 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.673 126.5 17.5 -88.0 -20.4 6.6 9.9 26.6 24 23 A T T <4 S- 0 0 95 -3,-0.9 -2,-0.2 2,-0.2 3,-0.1 0.662 92.4-126.9-117.8 -29.3 3.5 8.1 25.5 25 24 A G < + 0 0 51 -4,-3.7 -3,-0.1 1,-0.3 2,-0.1 0.302 61.2 141.6 90.3 -6.6 4.6 5.7 22.8 26 25 A R - 0 0 175 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.5 -0.342 53.3-125.8 -64.5 146.8 2.0 7.0 20.4 27 26 A V E -G 20 0B 59 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.856 34.1-172.7 -93.6 125.8 2.9 7.4 16.7 28 27 A R E -G 19 0B 133 -9,-3.0 -9,-2.8 -2,-0.5 2,-0.7 -0.888 29.7-118.2-118.3 148.2 2.3 11.0 15.5 29 28 A L E -G 18 0B 96 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.776 27.2-177.4 -78.1 118.4 2.3 12.7 12.1 30 29 A D E - 0 0 57 -13,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.955 60.7 -50.9 -73.8 -65.0 5.1 15.3 12.4 31 30 A R E -G 17 0B 35 -14,-1.1 -14,-3.1 -3,-0.1 2,-0.5 -0.984 45.0-103.3-163.5 162.8 4.5 16.6 8.9 32 31 A Y E -G 16 0B 119 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.0 -0.839 58.7-100.2 -87.4 133.9 4.1 15.8 5.2 33 32 A L - 0 0 0 -18,-2.5 95,-0.1 -2,-0.5 -1,-0.1 -0.237 19.0-146.5 -59.3 145.5 7.4 16.7 3.5 34 33 A Y S S+ 0 0 120 93,-0.4 -1,-0.1 2,-0.1 94,-0.1 0.510 81.1 71.0 -88.4 -7.2 7.4 20.0 1.6 35 34 A T S S- 0 0 0 92,-0.4 2,-2.3 -20,-0.1 245,-0.1 -0.786 94.0-111.7-109.7 154.0 9.9 18.5 -1.0 36 35 A P S S+ 0 0 2 0, 0.0 163,-1.8 0, 0.0 2,-0.3 -0.397 80.3 116.1 -80.5 60.7 9.1 15.9 -3.7 37 36 A M B -H 198 0C 2 -2,-2.3 2,-0.3 161,-0.3 161,-0.3 -0.834 51.2-150.1-129.7 162.5 11.3 13.4 -1.8 38 37 A A - 0 0 21 159,-1.8 -23,-0.2 -2,-0.3 -24,-0.1 -0.996 37.9 -88.0-137.3 142.4 10.8 10.0 -0.1 39 38 A Y - 0 0 3 -25,-2.3 -26,-2.9 -2,-0.3 -25,-0.1 -0.227 33.7-149.3 -52.5 128.7 12.6 8.4 2.8 40 39 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.662 74.8 11.9 -81.6 -17.5 15.5 6.4 1.3 41 40 A T S S- 0 0 3 -30,-0.1 2,-0.2 79,-0.1 21,-0.2 -0.930 98.6 -76.2-141.9 166.2 15.5 3.7 4.0 42 41 A D E - C 0 61A 2 19,-1.2 19,-2.5 -2,-0.3 2,-0.4 -0.528 58.4-155.7 -59.9 139.9 13.3 2.6 6.8 43 42 A Y E +BC 10 60A 15 -33,-2.6 -34,-3.4 17,-0.2 -33,-2.6 -0.964 32.3 106.1-132.2 134.8 13.9 5.2 9.6 44 43 A G E -BC 8 59A 0 15,-2.8 15,-2.2 -2,-0.4 2,-0.3 -0.726 53.0 -73.8-170.0-139.4 13.5 5.1 13.3 45 44 A F E -BC 7 58A 7 -38,-2.2 -38,-2.6 13,-0.3 2,-0.6 -0.972 33.8-105.1-146.1 158.1 15.4 4.9 16.6 46 45 A I E > -B 6 0A 1 11,-2.9 3,-0.8 -2,-0.3 11,-0.4 -0.761 40.2-122.6 -88.9 122.1 17.3 2.5 18.8 47 46 A E T 3 S+ 0 0 72 -42,-2.4 -42,-0.2 -2,-0.6 3,-0.1 -0.303 90.9 18.2 -61.5 140.5 15.4 1.4 21.9 48 47 A D T 3 S+ 0 0 100 1,-0.3 2,-0.3 -44,-0.1 -1,-0.2 0.836 99.3 114.0 66.6 35.1 17.1 2.1 25.3 49 48 A T < - 0 0 3 -3,-0.8 2,-0.4 109,-0.1 -1,-0.3 -0.919 48.3-158.6-127.3 161.7 19.4 4.8 24.0 50 49 A L - 0 0 53 104,-1.6 107,-0.2 -2,-0.3 108,-0.1 -0.945 13.3-150.5-142.8 115.2 19.7 8.5 24.7 51 50 A G > - 0 0 7 4,-3.4 3,-1.0 -2,-0.4 6,-0.1 0.014 38.9 -89.7 -72.8-176.3 21.5 10.8 22.3 52 51 A E T 3 S+ 0 0 97 1,-0.2 -1,-0.1 2,-0.1 38,-0.0 0.757 126.1 51.7 -65.6 -24.3 23.3 14.0 23.1 53 52 A D T 3 S- 0 0 115 2,-0.2 -1,-0.2 3,-0.1 37,-0.0 0.310 120.4 -99.2-100.4 6.6 20.0 15.9 22.6 54 53 A G S < S+ 0 0 47 -3,-1.0 -2,-0.1 1,-0.3 3,-0.1 0.313 91.4 100.6 95.4 -10.2 17.6 13.9 24.9 55 54 A D S S- 0 0 84 1,-0.1 -4,-3.4 -5,-0.0 -1,-0.3 -0.710 84.0 -88.8 -98.9 157.3 16.0 11.7 22.2 56 55 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.238 57.6 -86.3 -59.0 157.4 16.9 8.1 21.4 57 56 A L - 0 0 7 -11,-0.4 -11,-2.9 94,-0.1 35,-0.1 -0.502 48.0-119.8 -67.8 128.7 19.6 7.6 18.8 58 57 A D E -Cd 45 92A 28 33,-0.7 35,-2.8 -2,-0.3 2,-0.3 -0.363 29.3-161.9 -72.8 154.2 18.2 7.6 15.3 59 58 A A E -Cd 44 93A 0 -15,-2.2 -15,-2.8 33,-0.3 2,-0.5 -0.987 15.6-155.9-139.6 141.5 18.7 4.5 13.1 60 59 A L E -Cd 43 94A 0 33,-3.2 35,-3.0 -2,-0.3 2,-0.5 -0.991 19.0-158.5-113.5 126.7 18.5 3.8 9.3 61 60 A V E -Cd 42 95A 1 -19,-2.5 -19,-1.2 -2,-0.5 2,-0.5 -0.923 10.1-143.6-116.0 120.8 17.7 0.2 8.5 62 61 A L + 0 0 13 33,-2.6 -21,-0.1 -2,-0.5 3,-0.0 -0.730 36.4 160.5 -77.2 123.8 18.6 -1.4 5.1 63 62 A L - 0 0 26 -2,-0.5 -21,-0.1 33,-0.1 4,-0.0 -0.968 50.3-124.4-145.7 152.4 15.8 -3.9 4.3 64 63 A P S S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.807 100.6 16.4 -70.6 -28.8 14.4 -5.7 1.2 65 64 A E S S- 0 0 155 -3,-0.0 -23,-0.0 -23,-0.0 -53,-0.0 -0.998 90.3-101.1-145.0 146.4 10.9 -4.3 1.8 66 65 A P - 0 0 61 0, 0.0 2,-0.0 0, 0.0 -53,-0.0 -0.183 31.9-144.9 -67.9 157.9 9.6 -1.5 4.1 67 66 A L - 0 0 51 -57,-0.1 -4,-0.0 1,-0.1 3,-0.0 0.030 22.8 -94.2-101.1-159.0 8.0 -2.1 7.4 68 67 A F > - 0 0 161 -58,-0.1 3,-1.7 -57,-0.0 -60,-0.2 -0.916 48.3 -86.7-117.6 153.1 5.1 -0.4 9.3 69 68 A P T 3 S+ 0 0 48 0, 0.0 -60,-0.2 0, 0.0 3,-0.1 -0.368 114.8 25.6 -57.7 137.4 5.4 2.4 11.8 70 69 A G T 3 S+ 0 0 40 -62,-3.4 2,-0.2 1,-0.3 -61,-0.1 0.211 87.5 136.4 93.4 -13.0 6.0 1.0 15.4 71 70 A V < - 0 0 56 -3,-1.7 -63,-3.1 -63,-0.2 2,-0.4 -0.483 47.9-136.5 -72.4 136.8 7.5 -2.3 14.2 72 71 A L E -A 7 0A 101 -65,-0.2 2,-0.4 -2,-0.2 -65,-0.2 -0.759 21.3-177.4 -89.7 136.5 10.6 -3.6 16.1 73 72 A V E -A 6 0A 21 -67,-2.4 -67,-2.6 -2,-0.4 2,-0.5 -0.994 25.5-131.4-137.2 128.3 13.6 -5.0 14.1 74 73 A E E +A 5 0A 90 -2,-0.4 24,-1.9 -69,-0.2 2,-0.3 -0.701 43.7 168.8 -78.3 126.8 16.7 -6.5 15.6 75 74 A A E -AE 4 97A 0 -71,-2.9 -71,-2.2 -2,-0.5 -14,-0.0 -0.855 31.3-139.9-140.3 165.2 19.6 -4.9 13.8 76 75 A R E - E 0 96A 45 20,-2.7 20,-2.0 -2,-0.3 2,-0.2 -0.966 30.2-110.4-131.9 145.4 23.4 -4.5 13.9 77 76 A P E + E 0 95A 2 0, 0.0 18,-0.2 0, 0.0 -75,-0.1 -0.519 33.5 167.6 -78.2 141.9 25.4 -1.3 13.1 78 77 A V E - 0 0 0 16,-3.1 31,-0.8 1,-0.4 66,-0.6 0.453 68.1 -32.0-122.0 -10.5 27.6 -1.0 9.9 79 78 A G E -FE 143 94A 0 15,-1.3 15,-2.4 64,-0.2 -1,-0.4 -0.969 58.7-109.5 174.9-175.2 28.2 2.8 9.9 80 79 A M E -FE 142 93A 6 62,-2.3 62,-2.4 -2,-0.3 2,-0.4 -0.991 9.9-144.5-149.3 133.2 26.8 6.2 10.9 81 80 A F E -FE 141 92A 0 11,-3.0 11,-2.7 -2,-0.3 2,-0.4 -0.801 23.0-167.3 -91.5 136.8 25.6 9.2 9.0 82 81 A R E +FE 140 91A 102 58,-2.7 58,-2.4 -2,-0.4 2,-0.3 -0.964 10.5 168.9-128.0 142.8 26.4 12.5 10.7 83 82 A M E -FE 139 90A 5 7,-2.7 7,-2.2 -2,-0.4 2,-0.4 -0.967 26.8-141.5-146.4 165.2 25.0 15.9 9.9 84 83 A V E +FE 138 89A 66 54,-2.2 53,-2.7 -2,-0.3 54,-1.1 -0.994 35.4 150.5-129.6 122.8 24.8 19.5 11.1 85 84 A D E > -FE 136 88A 12 3,-2.4 3,-1.7 -2,-0.4 51,-0.2 -0.497 63.8 -58.0-130.3-158.9 21.5 21.4 10.7 86 85 A E T 3 S+ 0 0 47 49,-0.8 3,-0.1 1,-0.3 50,-0.1 0.693 134.8 47.5 -62.1 -24.4 19.6 24.2 12.5 87 86 A H T 3 S- 0 0 167 1,-0.4 2,-0.3 0, 0.0 -1,-0.3 0.427 115.6-118.4 -93.3 -0.1 19.5 22.2 15.8 88 87 A G E < + E 0 85A 27 -3,-1.7 -3,-2.4 2,-0.0 -1,-0.4 -0.797 69.6 15.6 98.1-143.6 23.2 21.4 15.6 89 88 A G E + E 0 84A 63 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.283 57.2 178.5 -74.0 147.6 24.6 17.9 15.4 90 89 A D E - 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