==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 25-SEP-91 1GPR . COMPND 2 MOLECULE: GLUCOSE PERMEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.-I.LIAO,O.HERZBERG . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 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-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 . 11 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 4 A E 0 0 171 0, 0.0 71,-0.2 0, 0.0 72,-0.2 0.000 360.0 360.0 360.0 -77.8 4.7 23.5 24.6 2 5 A P - 0 0 71 0, 0.0 2,-0.6 0, 0.0 53,-0.1 -0.149 360.0-135.6 -49.6 132.8 5.5 20.5 22.3 3 6 A L - 0 0 61 51,-0.2 8,-2.7 8,-0.2 2,-0.4 -0.831 29.0-173.0 -91.3 119.0 7.6 21.4 19.5 4 7 A Q B -A 10 0A 125 -2,-0.6 6,-0.2 6,-0.3 2,-0.0 -0.907 14.6-136.8-120.6 147.6 6.4 19.9 16.2 5 8 A N > - 0 0 25 4,-2.6 3,-3.2 -2,-0.4 -1,-0.0 -0.165 46.5 -78.8 -88.0-174.8 7.6 19.7 12.8 6 9 A E T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.596 135.2 50.0 -57.4 -14.4 5.8 20.2 9.4 7 10 A I T 3 S- 0 0 113 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.195 120.7-110.9-107.1 8.6 4.5 16.6 9.9 8 11 A G S < S+ 0 0 40 -3,-3.2 2,-0.2 1,-0.2 -2,-0.1 0.813 73.1 137.1 65.7 29.3 3.3 17.4 13.4 9 12 A E - 0 0 70 1,-0.0 -4,-2.6 3,-0.0 2,-0.3 -0.663 66.3 -98.8 -97.5 154.5 5.9 15.2 15.0 10 13 A E B -A 4 0A 49 -6,-0.2 -6,-0.3 -2,-0.2 2,-0.2 -0.607 47.8-104.2 -77.7 140.2 7.7 16.4 18.1 11 14 A V + 0 0 25 -8,-2.7 2,-0.4 -2,-0.3 43,-0.3 -0.456 43.4 176.3 -64.2 129.9 11.2 17.8 17.0 12 15 A F - 0 0 27 -2,-0.2 142,-0.7 41,-0.1 141,-0.5 -0.903 7.1-174.3-137.1 108.4 14.0 15.3 17.9 13 16 A V B -B 152 0B 9 39,-2.4 139,-0.2 -2,-0.4 93,-0.1 -0.706 37.1 -88.9-102.5 152.7 17.5 16.4 16.8 14 17 A S - 0 0 0 137,-2.0 136,-3.5 134,-0.3 137,-0.1 -0.369 30.9-161.4 -61.5 127.7 20.8 14.5 16.9 15 18 A P S S+ 0 0 0 0, 0.0 35,-2.8 0, 0.0 2,-0.3 0.646 72.2 32.0 -83.1 -17.3 22.4 15.3 20.2 16 19 A I S S- 0 0 0 33,-0.2 2,-0.5 132,-0.1 33,-0.1 -0.996 76.0-120.8-142.3 152.5 26.0 14.2 19.0 17 20 A T S S+ 0 0 12 31,-0.4 28,-2.7 -2,-0.3 29,-1.2 -0.760 71.2 72.2 -92.1 131.2 28.1 14.1 15.8 18 21 A G E S-CD 44 147C 3 129,-2.1 129,-3.4 -2,-0.5 2,-0.5 -0.983 87.0 -33.7 160.3-154.6 29.1 10.6 14.9 19 22 A E E -CD 43 146C 86 24,-2.0 24,-2.3 -2,-0.3 2,-0.2 -0.849 52.5-133.5-105.9 129.7 27.7 7.3 13.4 20 23 A I E +C 42 0C 13 125,-2.0 125,-0.4 -2,-0.5 22,-0.2 -0.588 27.7 177.7 -88.6 134.5 24.0 6.2 14.3 21 24 A H E -C 41 0C 29 20,-3.2 20,-2.7 -2,-0.2 5,-0.0 -0.953 34.5-102.1-134.0 152.8 23.4 2.7 15.3 22 25 A P E > -C 40 0C 57 0, 0.0 3,-1.4 0, 0.0 18,-0.2 -0.372 42.1-109.5 -65.6 157.3 20.5 0.6 16.3 23 26 A I G > S+ 0 0 6 16,-0.7 3,-1.4 1,-0.2 11,-0.1 0.746 114.4 71.7 -64.0 -22.2 20.3 -0.0 20.1 24 27 A T G 3 S+ 0 0 88 1,-0.3 -1,-0.2 9,-0.1 8,-0.1 0.647 88.0 62.6 -67.5 -19.4 21.2 -3.7 19.4 25 28 A D G < S+ 0 0 73 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.520 73.8 108.2 -80.5 -13.8 24.8 -2.7 18.5 26 29 A V S < S- 0 0 2 -3,-1.4 2,-1.9 -4,-0.2 6,-0.3 -0.613 71.5-135.0 -66.0 127.7 25.8 -1.3 22.1 27 30 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.278 80.6 80.3 -89.6 62.1 28.2 -3.8 23.5 28 31 A D S >> S- 0 0 39 -2,-1.9 4,-2.7 1,-0.0 3,-1.2 -0.838 71.6-144.1-159.9 112.0 26.6 -3.9 26.9 29 32 A Q H 3> S+ 0 0 140 -2,-0.3 4,-1.5 2,-0.2 6,-0.4 0.642 95.1 69.9 -54.2 -22.0 23.5 -6.1 27.4 30 33 A V H 34>S+ 0 0 64 1,-0.2 5,-1.3 2,-0.1 6,-0.6 0.895 117.2 26.3 -64.0 -34.0 21.8 -3.6 30.0 31 34 A F H X45S+ 0 0 12 -3,-1.2 3,-1.9 3,-0.2 -2,-0.2 0.884 123.1 47.3 -93.6 -50.4 21.4 -1.4 27.0 32 35 A S H 3<5S+ 0 0 24 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.782 111.0 55.6 -64.0 -24.4 21.3 -3.7 23.9 33 36 A G T 3<5S- 0 0 39 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.1 0.259 112.2-125.4 -85.4 4.6 18.8 -5.9 25.8 34 37 A K T < 5 + 0 0 101 -3,-1.9 3,-0.2 -11,-0.1 -3,-0.2 0.785 54.4 155.5 55.5 34.9 16.6 -2.8 26.2 35 38 A M S - 0 0 54 5,-2.1 3,-2.5 -2,-0.5 5,-0.1 -0.355 21.5-116.5 -55.6 150.8 24.7 12.1 37.1 62 65 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.811 117.9 53.4 -58.0 -36.6 27.5 13.2 39.6 63 66 A T T 3 S- 0 0 21 28,-0.0 30,-0.1 3,-0.0 27,-0.1 0.412 107.2-132.6 -75.3 -6.9 30.2 11.9 37.2 64 67 A K S < S+ 0 0 74 -3,-2.5 30,-0.1 2,-0.2 3,-0.1 0.612 76.2 111.7 63.4 18.0 28.6 14.2 34.5 65 68 A H S S+ 0 0 4 1,-0.1 16,-3.2 28,-0.1 2,-0.4 0.450 73.5 39.9 -98.8 -9.3 28.6 11.4 31.9 66 69 A A E - H 0 80C 0 14,-0.3 -5,-2.1 -5,-0.1 2,-0.3 -0.998 62.9-168.6-141.6 147.6 24.9 10.8 31.6 67 70 A I E -FH 60 79C 0 12,-2.1 12,-2.6 -2,-0.4 2,-0.5 -0.987 10.6-148.3-135.9 143.3 21.9 13.2 31.6 68 71 A G E +FH 59 78C 9 -9,-2.7 -10,-3.0 -2,-0.3 -9,-1.3 -0.937 23.3 176.3-114.4 135.2 18.2 12.6 31.9 69 72 A L E -FH 57 77C 0 8,-3.0 8,-3.0 -2,-0.5 2,-0.4 -0.929 22.8-149.4-134.9 164.4 15.8 14.9 30.1 70 73 A Q E -FH 56 76C 58 -14,-2.3 -14,-3.3 -2,-0.3 6,-0.2 -0.999 20.3-137.2-133.7 125.5 12.1 15.2 29.5 71 74 A S E > -F 55 0C 3 4,-2.2 3,-3.0 -2,-0.4 -16,-0.3 -0.517 28.0-109.4 -73.8 153.7 10.7 16.8 26.3 72 75 A D T 3 S+ 0 0 25 -18,-2.6 -17,-0.1 1,-0.3 -1,-0.1 0.859 122.2 60.0 -52.9 -32.2 7.8 19.2 26.4 73 76 A G T 3 S- 0 0 44 -19,-0.4 -1,-0.3 -72,-0.2 -18,-0.1 0.526 122.9-105.3 -76.6 0.2 5.9 16.4 24.8 74 77 A G S < S+ 0 0 30 -3,-3.0 2,-0.4 1,-0.3 -2,-0.1 0.525 70.5 137.1 96.2 8.3 6.5 14.1 27.8 75 78 A R - 0 0 61 -4,-0.1 -4,-2.2 56,-0.0 2,-0.4 -0.786 44.4-142.3 -90.0 135.1 9.1 11.6 26.7 76 79 A E E -H 70 0C 66 -2,-0.4 55,-2.1 -6,-0.2 56,-0.6 -0.825 21.9-174.2 -94.8 135.8 11.8 10.8 29.1 77 80 A I E -HI 69 130C 3 -8,-3.0 -8,-3.0 -2,-0.4 2,-0.5 -0.944 14.2-161.5-129.4 140.9 15.2 10.3 27.6 78 81 A L E -HI 68 129C 23 51,-3.0 51,-2.4 -2,-0.4 2,-0.6 -0.993 3.2-165.8-121.2 131.7 18.5 9.3 29.1 79 82 A I E -HI 67 128C 1 -12,-2.6 -12,-2.1 -2,-0.5 2,-0.6 -0.974 8.5-174.6-114.0 118.4 21.7 10.0 27.3 80 83 A H E -H 66 0C 25 47,-2.5 2,-0.5 -2,-0.6 -14,-0.3 -0.915 19.0-138.4-119.2 109.2 24.6 7.9 28.8 81 84 A F - 0 0 1 -16,-3.2 45,-0.2 -2,-0.6 4,-0.1 -0.499 60.0 -21.3 -74.8 119.8 27.9 8.7 27.3 82 85 A G S S- 0 0 0 42,-0.7 2,-0.4 -2,-0.5 3,-0.3 -0.035 84.0 -72.5 79.5 175.8 30.1 5.8 26.6 83 86 A I B S-L 123 0E 3 40,-2.2 40,-0.5 1,-0.2 43,-0.0 -0.945 108.7 -3.0-113.0 133.9 30.1 2.3 28.1 84 87 A D S S+ 0 0 98 -2,-0.4 -1,-0.2 37,-0.1 3,-0.1 0.922 83.6 145.0 54.4 51.0 31.3 1.7 31.7 85 88 A T > + 0 0 0 -3,-0.3 3,-1.8 1,-0.2 5,-0.5 0.571 46.8 82.0 -97.8 -5.2 32.2 5.4 32.2 86 89 A V G > S+ 0 0 89 1,-0.3 3,-2.7 2,-0.2 -1,-0.2 0.875 81.1 71.9 -69.5 -24.4 31.3 5.8 35.8 87 90 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.727 86.0 65.0 -54.4 -24.2 34.7 4.3 36.5 88 91 A L G X S- 0 0 20 -3,-1.8 3,-2.2 2,-0.0 -1,-0.3 0.498 96.2-141.3 -80.6 -4.3 36.3 7.5 35.3 89 92 A K T < - 0 0 166 -3,-2.7 -3,-0.1 1,-0.3 -2,-0.1 0.784 67.1 -51.1 49.2 34.5 34.8 9.4 38.2 90 93 A G T > S+ 0 0 19 -5,-0.5 3,-2.0 1,-0.3 2,-0.6 0.409 94.1 145.9 94.4 -10.4 34.0 12.4 36.1 91 94 A E T < S+ 0 0 145 -3,-2.2 -1,-0.3 1,-0.3 3,-0.1 -0.637 71.4 17.0 -77.6 121.5 37.3 12.9 34.6 92 95 A G T 3 S+ 0 0 22 -2,-0.6 21,-2.7 1,-0.2 2,-0.5 0.309 103.9 108.8 103.4 0.8 37.1 14.2 31.1 93 96 A F E < -K 112 0D 15 -3,-2.0 2,-0.4 19,-0.2 -1,-0.2 -0.947 42.5-174.5-115.6 130.8 33.5 15.4 31.5 94 97 A T E -K 111 0D 67 17,-3.0 17,-2.3 -2,-0.5 2,-0.3 -0.968 11.5-151.5-120.6 139.6 32.2 18.9 31.7 95 98 A S E +K 110 0D 33 -2,-0.4 15,-0.2 15,-0.2 14,-0.1 -0.786 15.6 179.9-106.2 143.2 28.5 19.8 32.4 96 99 A F + 0 0 88 13,-2.3 2,-0.3 -2,-0.3 14,-0.1 0.193 65.6 57.6-126.5 17.0 26.8 23.0 31.2 97 100 A V - 0 0 10 12,-0.3 2,-0.3 4,-0.0 -1,-0.0 -0.972 63.2-148.3-146.5 161.1 23.4 22.5 32.6 98 101 A S > - 0 0 73 -2,-0.3 3,-2.1 -3,-0.1 -41,-0.2 -0.849 40.6 -78.8-124.7 160.0 21.8 21.9 36.0 99 102 A E T 3 S+ 0 0 112 -2,-0.3 -41,-0.2 1,-0.3 3,-0.1 -0.295 118.2 25.8 -60.9 140.3 18.7 19.9 37.0 100 103 A G T 3 S+ 0 0 38 -43,-3.0 -1,-0.3 1,-0.3 -42,-0.1 0.243 88.2 140.6 86.5 -11.2 15.5 21.7 36.4 101 104 A D < - 0 0 62 -3,-2.1 -44,-2.7 -44,-0.1 2,-0.4 -0.362 51.2-131.7 -63.2 148.1 17.1 23.8 33.5 102 105 A R E -G 56 0C 101 -46,-0.2 2,-0.3 -3,-0.1 -46,-0.2 -0.808 29.5-163.6 -94.3 136.8 14.8 24.3 30.5 103 106 A V E -G 55 0C 0 -48,-2.1 -48,-2.2 -2,-0.4 3,-0.0 -0.899 13.7-150.8-126.7 154.4 16.7 23.5 27.2 104 107 A E > - 0 0 104 -2,-0.3 3,-2.1 -50,-0.2 -53,-0.3 -0.792 47.0 -75.8-114.7 156.6 16.1 24.2 23.5 105 108 A P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.328 118.7 19.1 -56.7 141.4 17.3 22.0 20.7 106 109 A G T 3 S+ 0 0 16 -55,-2.5 2,-0.3 1,-0.3 -52,-0.0 0.354 85.1 141.8 82.9 -2.9 21.0 22.2 20.1 107 110 A Q < - 0 0 73 -3,-2.1 -56,-3.1 -56,-0.2 -1,-0.3 -0.572 59.6-108.7 -74.0 134.9 21.7 23.7 23.4 108 111 A K E +J 50 0D 79 -58,-0.3 -58,-0.3 -2,-0.3 3,-0.1 -0.378 41.9 169.4 -64.2 130.9 25.0 22.3 24.8 109 112 A L E - 0 0 0 -60,-3.4 -13,-2.3 1,-0.3 -12,-0.3 0.772 60.5 -1.1-107.1 -44.7 24.7 19.9 27.6 110 113 A L E -JK 49 95D 0 -61,-1.6 -61,-2.6 -15,-0.2 2,-0.4 -0.986 49.9-148.0-144.7 160.9 28.1 18.3 28.0 111 114 A E E -JK 48 94D 76 -17,-2.3 -17,-3.0 -2,-0.3 2,-0.4 -0.996 15.7-163.5-136.8 132.5 31.5 18.3 26.7 112 115 A V E - K 0 93D 9 -65,-2.1 2,-1.2 -2,-0.4 -19,-0.2 -0.984 20.1-137.2-119.0 133.5 33.8 15.2 26.7 113 116 A D >> - 0 0 86 -21,-2.7 4,-1.5 -2,-0.4 3,-0.8 -0.763 22.8-168.0 -87.3 94.2 37.5 15.0 26.2 114 117 A L H 3> S+ 0 0 30 -2,-1.2 4,-3.2 1,-0.2 -1,-0.2 0.790 80.3 55.6 -57.8 -35.2 37.6 12.0 24.0 115 118 A D H 34 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.798 110.8 45.6 -69.3 -27.2 41.3 11.5 24.2 116 119 A A H <4 S+ 0 0 40 -3,-0.8 4,-0.3 2,-0.1 -1,-0.2 0.735 122.4 37.7 -81.9 -28.4 41.2 11.3 28.0 117 120 A V H >< S+ 0 0 0 -4,-1.5 3,-1.3 -25,-0.1 4,-0.4 0.910 102.8 67.7 -89.6 -47.0 38.1 9.0 27.8 118 121 A K G >< S+ 0 0 138 -4,-3.2 3,-1.1 1,-0.3 -3,-0.1 0.852 97.6 51.9 -47.0 -49.4 38.8 6.8 24.8 119 122 A P G 3 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.848 111.4 48.7 -64.6 -25.1 41.7 4.9 26.3 120 123 A N G < S+ 0 0 107 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.383 100.1 59.9 -96.7 4.8 39.8 4.0 29.4 121 124 A V S < S- 0 0 17 -3,-1.1 -37,-0.1 -4,-0.4 3,-0.1 -0.881 76.8-123.5-128.0 163.6 36.5 2.6 28.4 122 125 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -38,-0.1 0.756 92.0 1.6 -78.3 -22.1 35.6 -0.4 26.3 123 126 A S B -L 83 0E 23 -40,-0.5 -40,-2.2 2,-0.1 -97,-0.0 -0.961 49.8-144.8-160.8 145.6 33.6 1.6 23.8 124 127 A L + 0 0 17 -2,-0.3 -42,-0.7 -42,-0.2 -82,-0.1 0.512 56.7 135.5 -90.8 -1.3 32.6 5.2 23.3 125 128 A M - 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