==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUL-11 3T54 . COMPND 2 MOLECULE: INOSITOL PYROPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.WANG,J.FALCK,T.M.T.HALL,S.B.SHEARS . 318 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 21.7 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 0 0 2 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 1 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 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 43 A Q 0 0 118 0, 0.0 2,-0.4 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 126.0 -13.0 39.5 -12.6 2 44 A I E -a 31 0A 0 28,-3.1 30,-2.9 51,-0.0 2,-0.6 -0.700 360.0-142.2 -79.8 128.5 -12.1 35.8 -12.1 3 45 A V E -a 32 0A 32 -2,-0.4 50,-2.3 28,-0.2 51,-1.9 -0.841 10.5-161.5 -98.5 122.4 -13.2 34.7 -8.6 4 46 A V E -ab 33 54A 1 28,-3.0 30,-2.8 -2,-0.6 2,-0.4 -0.909 13.0-154.2-102.6 115.7 -11.0 32.3 -6.7 5 47 A G E -ab 34 55A 0 49,-3.0 51,-2.9 -2,-0.6 2,-0.6 -0.728 3.8-155.5 -92.8 134.1 -12.9 30.6 -3.9 6 48 A I E -ab 35 56A 0 28,-2.5 30,-2.7 -2,-0.4 2,-0.5 -0.958 14.8-178.8-112.2 116.2 -11.1 29.3 -0.8 7 49 A C E + b 0 57A 1 49,-2.8 51,-1.5 -2,-0.6 2,-0.3 -0.890 29.7 99.0-124.8 99.6 -13.1 26.5 0.9 8 50 A S S S- 0 0 0 -2,-0.5 33,-0.1 28,-0.4 51,-0.1 -0.963 73.8 -59.2-161.0 176.1 -11.7 25.0 4.1 9 51 A M >> - 0 0 20 49,-0.4 4,-2.6 -2,-0.3 3,-1.1 -0.292 51.4-114.0 -62.5 150.0 -11.9 25.0 7.9 10 52 A A H 3> S+ 0 0 27 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.853 114.3 64.6 -56.1 -40.1 -11.2 28.3 9.6 11 53 A K H 34 S+ 0 0 185 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.868 115.3 33.0 -47.8 -40.3 -8.0 27.0 11.3 12 54 A K H X4 S+ 0 0 92 -3,-1.1 3,-1.3 2,-0.2 6,-0.3 0.924 117.2 51.1 -82.9 -51.0 -6.7 26.6 7.8 13 55 A S H 3< S+ 0 0 7 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.763 117.5 41.0 -63.0 -27.4 -8.3 29.5 5.9 14 56 A K T 3< S+ 0 0 122 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.390 86.7 122.6-101.2 -0.0 -7.1 32.0 8.5 15 57 A S S <> S- 0 0 35 -3,-1.3 4,-2.4 -5,-0.2 5,-0.2 -0.204 74.7-112.6 -59.3 153.1 -3.6 30.5 9.1 16 58 A K H > S+ 0 0 141 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.931 115.8 50.6 -55.2 -48.6 -0.7 32.9 8.5 17 59 A P H > S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.906 111.2 49.3 -61.2 -40.0 0.6 31.0 5.4 18 60 A M H > S+ 0 0 2 -6,-0.3 4,-3.1 2,-0.2 5,-0.3 0.958 112.6 46.2 -58.6 -52.0 -2.8 31.1 3.8 19 61 A K H X S+ 0 0 121 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.906 112.6 51.5 -59.6 -41.5 -3.3 34.8 4.5 20 62 A E H X S+ 0 0 54 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.889 113.9 43.8 -58.2 -43.7 0.2 35.5 3.1 21 63 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.920 113.4 48.9 -73.0 -43.3 -0.5 33.6 -0.0 22 64 A L H X S+ 0 0 16 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.837 105.6 59.7 -66.0 -33.4 -4.0 35.0 -0.6 23 65 A E H < S+ 0 0 124 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.927 110.3 43.0 -53.3 -45.9 -2.6 38.5 -0.1 24 66 A R H >< S+ 0 0 35 -4,-1.2 3,-0.8 1,-0.2 -2,-0.2 0.830 110.5 52.4 -75.4 -35.1 -0.3 37.8 -3.0 25 67 A I H >< S+ 0 0 3 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.869 102.0 62.5 -67.1 -36.3 -2.9 36.2 -5.3 26 68 A S T 3< S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.714 88.4 71.5 -61.2 -19.1 -5.0 39.2 -4.8 27 69 A L T < S+ 0 0 142 -3,-0.8 2,-0.4 -4,-0.4 -1,-0.3 0.607 72.2 104.7 -72.9 -13.3 -2.2 41.3 -6.5 28 70 A F S X S- 0 0 38 -3,-2.0 3,-1.4 -4,-0.2 -3,-0.0 -0.603 76.9-134.7 -67.7 123.8 -3.2 39.7 -9.8 29 71 A K T 3 S+ 0 0 161 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.830 99.1 36.1 -48.6 -43.1 -5.1 42.4 -11.7 30 72 A Y T 3 S+ 0 0 61 -29,-0.1 -28,-3.1 2,-0.0 2,-0.4 0.306 99.7 91.2-102.8 8.0 -8.0 40.1 -12.8 31 73 A I E < -a 2 0A 6 -3,-1.4 2,-0.4 -30,-0.2 -28,-0.2 -0.893 48.0-171.7-109.3 133.0 -8.4 37.9 -9.8 32 74 A T E -a 3 0A 57 -30,-2.9 -28,-3.0 -2,-0.4 2,-0.5 -0.986 17.3-143.5-115.5 133.3 -10.6 38.4 -6.7 33 75 A V E -a 4 0A 29 -2,-0.4 2,-0.5 -30,-0.2 -28,-0.2 -0.826 14.4-172.5 -98.4 127.5 -10.3 36.1 -3.8 34 76 A V E -a 5 0A 46 -30,-2.8 -28,-2.5 -2,-0.5 2,-0.6 -0.974 8.5-157.5-119.0 118.8 -13.3 35.0 -1.8 35 77 A V E -a 6 0A 57 -2,-0.5 2,-0.2 -30,-0.2 -28,-0.2 -0.851 19.5-130.6 -96.8 118.3 -12.8 33.0 1.5 36 78 A F - 0 0 3 -30,-2.7 -28,-0.4 -2,-0.6 2,-0.1 -0.470 24.8-117.7 -68.0 130.8 -15.9 30.9 2.4 37 79 A E > - 0 0 114 -2,-0.2 4,-2.5 1,-0.1 3,-0.2 -0.465 14.1-130.6 -68.6 139.8 -16.8 31.4 6.1 38 80 A E H > S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.893 109.2 56.3 -62.3 -36.5 -16.6 28.3 8.2 39 81 A E H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 5,-0.5 0.891 109.3 46.6 -60.3 -39.5 -20.1 28.9 9.6 40 82 A V H > S+ 0 0 30 -3,-0.2 4,-1.9 3,-0.2 -2,-0.2 0.938 112.2 50.5 -66.9 -45.2 -21.4 29.0 6.0 41 83 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.917 121.2 33.3 -58.0 -45.2 -19.5 25.8 5.1 42 84 A L H < S+ 0 0 71 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.917 131.1 27.7 -77.8 -42.3 -20.8 23.9 8.1 43 85 A N H < S+ 0 0 110 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.728 103.3 72.1-102.2 -28.7 -24.3 25.4 8.4 44 86 A E S < S- 0 0 67 -4,-1.9 5,-0.1 -5,-0.5 2,-0.0 -0.671 81.6-108.9 -95.3 146.2 -25.6 26.6 5.0 45 87 A P > - 0 0 65 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.355 35.9-109.6 -64.8 154.7 -26.7 24.4 2.1 46 88 A V G > S+ 0 0 13 1,-0.3 3,-1.2 2,-0.2 -2,-0.0 0.773 115.3 70.3 -61.5 -25.4 -24.2 24.5 -0.8 47 89 A E G 3 S+ 0 0 111 1,-0.3 -1,-0.3 27,-0.0 -3,-0.0 0.691 100.8 47.5 -63.2 -20.0 -26.8 26.4 -2.9 48 90 A N G < S+ 0 0 99 -3,-2.2 -1,-0.3 -8,-0.1 -2,-0.2 0.447 86.4 111.2 -97.1 -6.0 -26.1 29.4 -0.6 49 91 A W S < S- 0 0 7 -3,-1.2 -13,-0.0 -4,-0.4 -3,-0.0 -0.397 82.1 -91.8 -66.9 148.3 -22.3 29.1 -0.7 50 92 A P - 0 0 45 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.237 43.2-111.0 -60.4 148.5 -20.6 32.0 -2.6 51 93 A L + 0 0 111 -3,-0.1 2,-0.3 -47,-0.0 -47,-0.0 -0.452 39.4 172.9 -73.5 152.5 -19.9 31.6 -6.3 52 94 A C - 0 0 10 -2,-0.1 -48,-0.2 -47,-0.1 3,-0.1 -0.975 34.5-146.9-152.3 160.8 -16.4 31.1 -7.7 53 95 A D S S+ 0 0 55 -50,-2.3 25,-2.7 1,-0.3 2,-0.4 0.673 94.9 33.1 -97.7 -23.6 -14.8 30.3 -11.1 54 96 A C E S-bc 4 78A 0 -51,-1.9 -49,-3.0 23,-0.2 2,-0.5 -1.000 76.8-153.0-135.2 130.0 -11.9 28.5 -9.5 55 97 A L E -bc 5 79A 1 23,-2.8 25,-2.3 -2,-0.4 2,-0.6 -0.911 13.7-174.7-113.5 126.6 -12.1 26.5 -6.3 56 98 A I E +b 6 0A 6 -51,-2.9 -49,-2.8 -2,-0.5 2,-0.4 -0.936 29.2 156.7-114.3 104.2 -9.3 25.7 -3.8 57 99 A S E +b 7 0A 0 -2,-0.6 2,-0.3 24,-0.3 -49,-0.2 -0.989 13.9 173.7-136.0 138.8 -10.8 23.4 -1.3 58 100 A F - 0 0 12 -51,-1.5 -49,-0.4 -2,-0.4 2,-0.1 -0.989 26.6-117.2-154.5 141.6 -9.3 20.8 1.1 59 101 A H + 0 0 44 -2,-0.3 2,-0.3 -51,-0.1 224,-0.1 -0.383 35.5 154.5 -76.0 142.2 -10.3 18.5 3.8 60 102 A S > - 0 0 21 -2,-0.1 3,-2.6 0, 0.0 5,-0.1 -0.904 59.9 -46.6-149.6 177.4 -9.1 18.7 7.4 61 103 A K T 3 S+ 0 0 193 -2,-0.3 -52,-0.0 1,-0.3 0, 0.0 -0.196 129.5 13.6 -53.9 128.1 -10.7 17.5 10.7 62 104 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.3 -53,-0.0 -3,-0.0 0.292 92.8 136.7 92.8 -8.4 -14.3 18.5 10.9 63 105 A F < - 0 0 12 -3,-2.6 2,-1.5 1,-0.1 -1,-0.3 -0.543 55.7-132.4 -77.5 132.2 -14.6 19.5 7.2 64 106 A P >> + 0 0 28 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.607 30.1 172.8 -84.8 85.4 -17.7 18.4 5.2 65 107 A L H 3> S+ 0 0 7 -2,-1.5 4,-2.6 1,-0.2 5,-0.2 0.859 75.7 61.9 -60.9 -37.5 -16.1 16.9 2.1 66 108 A D H 3> S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 106.1 47.5 -54.2 -40.8 -19.5 15.6 0.9 67 109 A K H <> S+ 0 0 51 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.894 109.2 51.9 -70.6 -41.6 -20.7 19.2 0.8 68 110 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.927 111.7 47.7 -58.7 -44.1 -17.5 20.5 -1.1 69 111 A V H X S+ 0 0 37 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.913 112.3 49.2 -62.9 -44.3 -18.1 17.7 -3.7 70 112 A A H X S+ 0 0 45 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.901 110.8 51.1 -61.6 -43.4 -21.8 18.7 -4.0 71 113 A Y H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.931 110.4 47.6 -57.9 -48.8 -20.8 22.4 -4.4 72 114 A A H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.871 111.7 50.7 -66.0 -35.4 -18.3 21.6 -7.2 73 115 A K H < S+ 0 0 187 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.888 114.5 45.3 -66.5 -38.1 -20.9 19.5 -9.0 74 116 A L H < S+ 0 0 75 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.930 126.1 27.2 -68.3 -48.8 -23.5 22.3 -8.7 75 117 A R H < S- 0 0 94 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.632 88.4-145.1 -93.8 -16.0 -21.2 25.2 -9.8 76 118 A N < + 0 0 143 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.880 32.8 174.5 49.7 48.4 -18.7 23.3 -12.0 77 119 A P - 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0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.1 -0.793 47.0-115.8 -91.2 126.1 7.1 5.1 -6.7 105 147 A L + 0 0 85 -2,-0.5 172,-2.3 170,-0.2 -1,-0.0 -0.400 45.5 162.7 -59.8 130.4 9.6 3.4 -4.3 106 148 A L - 0 0 23 170,-0.2 172,-0.1 -2,-0.1 3,-0.1 -0.938 44.2 -80.9-140.4 165.7 8.1 2.7 -0.9 107 149 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 90,-0.0 -0.304 55.9 -93.9 -61.3 151.8 9.1 0.5 2.1 108 150 A R + 0 0 90 89,-0.0 88,-2.2 87,-0.0 2,-0.3 -0.504 62.8 171.4 -59.8 135.7 8.1 -3.2 1.9 109 151 A Y E -F 195 0D 35 86,-0.2 2,-0.3 -2,-0.2 86,-0.2 -0.961 30.3-155.2-147.9 160.4 4.8 -3.4 3.7 110 152 A A E -F 194 0D 7 84,-2.7 84,-3.2 -2,-0.3 2,-0.5 -0.995 19.5-132.3-140.0 141.9 1.8 -5.5 4.5 111 153 A I E -F 193 0D 44 -2,-0.3 2,-0.7 82,-0.2 82,-0.2 -0.803 11.0-158.6 -93.7 127.4 -1.7 -4.5 5.5 112 154 A L E -F 192 0D 3 80,-3.6 80,-1.6 -2,-0.5 2,-0.6 -0.883 10.8-168.2-104.3 101.6 -3.4 -6.1 8.5 113 155 A N - 0 0 85 -2,-0.7 2,-0.7 78,-0.2 78,-0.1 -0.819 3.2-162.3 -92.0 118.6 -7.2 -5.7 8.2 114 156 A R - 0 0 81 -2,-0.6 77,-0.1 8,-0.1 76,-0.1 -0.884 3.8-161.1-102.1 107.1 -9.1 -6.6 11.3 115 157 A D > - 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