==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-MAY-13 4KQ7 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES UNIFORMIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 746 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 244 32.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 52 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 4 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 10 4 2 6 2 2 0 6 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 2 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 45 A Q 0 0 232 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.3 34.8 27.1 92.0 2 46 A S - 0 0 85 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.296 360.0-149.0 -57.4 140.8 35.7 24.1 94.1 3 47 A N + 0 0 147 2,-0.1 -1,-0.1 -2,-0.0 0, 0.0 0.151 44.6 148.5 -97.1 17.3 35.2 24.6 97.9 4 48 A X + 0 0 89 5,-0.0 2,-0.3 6,-0.0 -2,-0.0 -0.273 18.5 154.1 -55.2 136.4 38.1 22.3 98.7 5 49 A T + 0 0 84 4,-0.0 2,-0.2 5,-0.0 3,-0.1 -0.968 11.3 133.0-163.3 150.8 39.8 23.3 101.9 6 50 A N > - 0 0 79 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.855 65.2 -80.5 177.3 174.1 41.9 22.0 104.9 7 51 A E H > S+ 0 0 160 -2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.931 127.7 37.3 -56.4 -49.8 45.1 23.2 106.7 8 52 A X H > S+ 0 0 141 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.888 117.8 51.2 -74.8 -34.4 47.6 21.8 104.2 9 53 A F H >4 S+ 0 0 94 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.931 112.4 45.9 -64.1 -46.5 45.5 22.6 101.1 10 54 A D H >< S+ 0 0 46 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.809 102.6 64.8 -68.9 -29.3 45.0 26.3 102.2 11 55 A L H 3< S+ 0 0 126 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.835 96.8 58.2 -60.2 -31.9 48.7 26.6 103.0 12 56 A A T << S+ 0 0 89 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.511 87.7 98.2 -76.6 -5.7 49.3 26.1 99.2 13 57 A K S < S- 0 0 98 -3,-1.7 2,-0.1 -4,-0.2 -3,-0.0 -0.685 81.7-115.7 -85.5 137.0 47.1 29.2 98.4 14 58 A L - 0 0 179 -2,-0.4 2,-0.4 1,-0.1 -2,-0.1 -0.456 33.3-140.1 -66.1 140.5 48.8 32.6 97.8 15 59 A K - 0 0 128 -2,-0.1 2,-0.3 -4,-0.1 3,-0.2 -0.852 11.3-153.4-111.1 143.2 47.9 35.1 100.4 16 60 A S + 0 0 108 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.776 66.1 22.8-110.7 157.5 47.1 38.8 100.0 17 61 A G S S+ 0 0 52 -2,-0.3 142,-0.5 1,-0.2 143,-0.4 0.658 89.2 112.0 69.4 24.0 47.4 41.9 102.3 18 62 A V - 0 0 61 -3,-0.2 2,-0.3 140,-0.1 -1,-0.2 -0.958 37.2-179.4-129.4 144.5 50.0 40.6 104.7 19 63 A K E -A 157 0A 119 138,-1.2 138,-3.1 -2,-0.3 2,-0.2 -0.978 29.1-119.1-142.0 127.0 53.7 41.6 105.4 20 64 A N E +A 156 0A 122 -2,-0.3 2,-0.3 136,-0.2 136,-0.2 -0.448 34.3 171.0 -69.9 139.5 56.0 40.0 107.9 21 65 A K E -A 155 0A 69 134,-2.6 134,-2.4 -2,-0.2 2,-0.3 -0.941 10.4-165.2-136.7 157.0 57.5 42.1 110.7 22 66 A R E -A 154 0A 138 -2,-0.3 2,-0.5 132,-0.2 132,-0.2 -0.946 12.8-163.8-151.2 129.9 59.5 41.0 113.8 23 67 A I E +A 153 0A 51 130,-2.4 130,-2.8 -2,-0.3 2,-0.3 -0.946 32.3 161.1-102.0 125.2 60.4 42.7 117.0 24 68 A S E -A 152 0A 34 -2,-0.5 128,-0.2 128,-0.2 11,-0.1 -0.902 55.2-112.4-141.9 172.4 63.3 40.8 118.7 25 69 A S + 0 0 10 126,-1.8 127,-0.1 -2,-0.3 124,-0.1 0.184 62.4 152.4 -89.6 18.2 66.0 41.2 121.3 26 70 A T - 0 0 84 125,-0.2 8,-0.1 1,-0.1 -2,-0.1 -0.120 60.3 -98.4 -46.2 138.5 68.6 40.9 118.5 27 71 A D > - 0 0 19 4,-0.3 3,-1.5 1,-0.2 -1,-0.1 -0.488 30.7-150.0 -63.0 114.8 71.9 42.7 119.3 28 72 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.752 94.4 57.7 -63.1 -20.5 71.5 46.1 117.4 29 73 A T T 3 S- 0 0 120 4,-0.1 3,-0.1 1,-0.0 -2,-0.1 0.604 116.7-112.1 -81.3 -14.5 75.3 46.4 116.9 30 74 A G S < S+ 0 0 70 -3,-1.5 4,-0.1 1,-0.2 -3,-0.1 0.417 80.4 122.4 93.0 1.1 75.4 43.0 115.1 31 75 A G S S- 0 0 36 2,-0.1 -4,-0.3 1,-0.1 -1,-0.2 0.034 79.5 -95.6 -76.8-165.3 77.3 41.5 117.9 32 76 A N S S+ 0 0 149 1,-0.1 2,-1.3 -6,-0.1 -1,-0.1 0.090 89.6 107.7-108.6 24.2 76.2 38.4 119.9 33 77 A R + 0 0 116 1,-0.1 2,-0.6 2,-0.0 -4,-0.1 -0.594 42.5 165.4 -96.0 67.8 74.5 40.1 122.9 34 78 A D + 0 0 52 -2,-1.3 2,-0.3 -7,-0.1 117,-0.3 -0.063 44.0 77.1 -86.1 41.4 71.1 39.0 121.5 35 79 A H S S- 0 0 29 -2,-0.6 115,-0.2 115,-0.1 2,-0.1 -0.909 85.2 -93.3-141.8 162.0 69.2 39.8 124.7 36 80 A L B -B 149 0A 35 113,-2.8 113,-0.6 -2,-0.3 3,-0.1 -0.353 50.8 -88.7 -72.6 161.7 67.8 42.9 126.4 37 81 A E - 0 0 101 1,-0.1 -1,-0.1 111,-0.1 112,-0.1 -0.227 64.1 -76.0 -64.4 155.6 69.8 44.7 129.1 38 82 A P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 109,-0.2 -0.163 39.2-133.7 -58.2 150.2 69.2 43.4 132.7 39 83 A F B -H 146 0B 0 107,-2.0 107,-2.1 -3,-0.1 3,-0.1 -0.934 18.0-141.5 -99.7 124.8 65.9 44.2 134.6 40 84 A K > - 0 0 144 -2,-0.5 3,-2.3 105,-0.2 100,-0.2 -0.391 44.7 -71.0 -76.5 162.6 66.5 45.3 138.1 41 85 A P T 3 S+ 0 0 66 0, 0.0 100,-0.2 0, 0.0 -1,-0.2 -0.321 124.5 12.9 -53.9 131.2 64.0 44.1 140.8 42 86 A G T 3 S+ 0 0 49 98,-2.3 2,-0.2 100,-0.4 99,-0.1 0.264 93.7 142.6 86.6 -11.6 60.7 45.9 140.3 43 87 A E < - 0 0 63 -3,-2.3 97,-3.0 96,-0.1 2,-0.3 -0.440 32.2-163.2 -70.7 137.3 61.6 47.2 136.8 44 88 A K E +I 139 0C 126 95,-0.2 2,-0.3 -2,-0.2 95,-0.2 -0.888 9.8 179.5-110.8 149.0 59.0 47.4 134.0 45 89 A R E -I 138 0C 59 93,-2.2 93,-2.6 -2,-0.3 2,-0.7 -0.990 32.0-129.1-151.7 139.8 59.8 47.7 130.3 46 90 A I E +I 137 0C 72 -2,-0.3 91,-0.3 91,-0.2 3,-0.1 -0.813 28.2 179.7 -84.0 112.9 57.8 48.0 127.0 47 91 A I E + 0 0 18 89,-2.2 2,-0.3 -2,-0.7 90,-0.2 0.654 67.9 27.7 -90.6 -20.0 59.6 45.3 124.9 48 92 A A E +I 136 0C 2 88,-1.4 88,-2.3 2,-0.0 2,-0.4 -0.972 57.8 178.9-146.3 126.0 57.4 45.7 121.8 49 93 A D E -I 135 0C 71 -2,-0.3 2,-0.4 86,-0.2 86,-0.2 -0.921 14.4-178.2-130.9 100.1 55.6 48.8 120.6 50 94 A I E -I 134 0C 5 84,-3.0 84,-2.0 -2,-0.4 2,-0.3 -0.859 12.1-149.3-105.4 137.4 53.8 48.2 117.3 51 95 A K - 0 0 146 -2,-0.4 2,-0.1 82,-0.2 82,-0.1 -0.728 53.9 -3.6-101.5 156.8 51.8 50.9 115.4 52 96 A G S S- 0 0 35 -2,-0.3 81,-2.9 105,-0.1 2,-0.3 -0.372 100.6 -16.5 73.8-150.2 48.7 50.4 113.2 53 97 A X S S+ 0 0 46 105,-0.4 105,-2.0 79,-0.2 2,-0.3 -0.792 72.4 112.4-103.3 141.9 47.0 47.1 112.2 54 98 A G E -CD 130 157A 0 76,-2.3 76,-2.3 -2,-0.3 2,-0.4 -0.986 50.8-110.0 178.4-177.0 48.3 43.6 112.4 55 99 A V E -CD 129 156A 13 101,-1.9 101,-2.4 -2,-0.3 2,-0.3 -0.952 19.6-143.5-140.9 116.3 48.2 40.1 113.8 56 100 A I E +CD 128 155A 0 72,-2.4 72,-2.6 -2,-0.4 99,-0.3 -0.654 28.1 166.5 -72.2 133.3 50.9 38.7 116.1 57 101 A N E + 0 0 58 97,-2.2 2,-0.3 -2,-0.3 98,-0.2 0.393 57.0 33.7-135.8 5.5 51.1 35.0 115.2 58 102 A H E + D 0 154A 38 96,-1.4 96,-3.2 2,-0.0 2,-0.4 -0.851 54.3 177.0-160.1 127.1 54.4 33.7 116.9 59 103 A I E -ED 124 153A 4 65,-2.1 65,-2.4 -2,-0.3 2,-0.4 -0.996 3.5-178.8-127.0 134.1 56.1 34.6 120.2 60 104 A W E +ED 123 152A 70 92,-2.1 92,-2.3 -2,-0.4 2,-0.3 -0.986 7.9 174.0-128.8 140.8 59.2 33.0 121.6 61 105 A V E +ED 122 151A 2 61,-2.3 61,-2.6 -2,-0.4 2,-0.3 -0.998 10.6 175.1-141.1 148.0 60.9 33.9 124.9 62 106 A T E - D 0 150A 28 88,-2.1 88,-2.7 -2,-0.3 2,-0.3 -0.965 13.7-155.3-145.7 160.9 63.7 32.7 127.1 63 107 A I E - D 0 149A 12 -2,-0.3 86,-0.2 57,-0.3 7,-0.1 -0.988 13.2-116.1-138.4 143.8 65.2 34.0 130.3 64 108 A A E S+ D 0 148A 31 84,-2.4 84,-1.9 -2,-0.3 83,-1.0 -0.989 92.0 37.9-125.8 139.0 68.4 34.0 132.2 65 109 A P S S- 0 0 17 0, 0.0 83,-0.1 0, 0.0 82,-0.0 0.601 92.3-137.0 -69.2 165.7 69.1 32.8 134.9 66 110 A P >> - 0 0 53 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.367 39.2 -45.5 -83.4 173.4 66.8 29.8 134.6 67 111 A P T 34 S+ 0 0 5 0, 0.0 4,-0.1 0, 0.0 36,-0.1 -0.428 117.6 29.6 -69.6 154.2 64.4 28.4 137.3 68 112 A P T 34 S+ 0 0 102 0, 0.0 3,-0.2 0, 0.0 35,-0.0 -0.998 123.7 51.9 -81.9 -8.6 64.7 27.8 140.3 69 113 A T T <4 S+ 0 0 88 -3,-0.5 2,-0.5 1,-0.2 75,-0.1 0.912 127.2 23.6 -52.6 -49.1 67.3 30.6 140.6 70 114 A L S < S- 0 0 1 -4,-1.6 2,-0.4 -7,-0.1 -1,-0.2 -0.971 88.2-142.6-122.9 109.8 64.8 33.0 138.8 71 115 A S > - 0 0 15 -2,-0.5 3,-1.6 -3,-0.2 31,-0.1 -0.637 5.2-151.9 -74.9 129.8 61.2 32.0 139.1 72 116 A R G > S+ 0 0 10 -2,-0.4 22,-2.5 1,-0.3 3,-0.6 0.502 94.0 73.7 -79.2 -0.9 59.1 32.6 136.0 73 117 A N G 3 S+ 0 0 2 1,-0.2 -1,-0.3 20,-0.2 29,-0.1 0.643 96.2 51.2 -75.9 -18.1 56.1 33.0 138.4 74 118 A D G < S+ 0 0 23 -3,-1.6 67,-2.6 18,-0.1 2,-0.5 0.207 91.5 81.3-111.3 20.0 57.6 36.4 139.4 75 119 A I E < S-J 140 0C 0 -3,-0.6 18,-3.5 65,-0.2 2,-0.4 -0.992 70.9-150.8-120.4 121.0 58.1 37.9 135.9 76 120 A I E -JK 139 92C 6 63,-2.7 63,-2.3 -2,-0.5 2,-0.4 -0.839 7.9-159.1-100.1 138.4 54.8 39.4 134.5 77 121 A I E +JK 138 91C 3 14,-2.8 14,-2.0 -2,-0.4 2,-0.3 -0.935 15.1 179.0-109.6 135.1 53.9 39.6 130.9 78 122 A R E -JK 137 90C 24 59,-2.4 59,-2.9 -2,-0.4 2,-0.4 -0.991 10.9-162.5-134.6 144.1 51.2 42.2 129.9 79 123 A X E -JK 136 89C 0 10,-2.0 9,-2.4 -2,-0.3 10,-1.5 -0.996 1.7-164.7-132.0 134.2 49.7 43.1 126.5 80 124 A Y E -J 135 0C 34 55,-2.8 55,-2.3 -2,-0.4 2,-0.3 -0.981 10.5-158.8-118.7 125.2 47.8 46.2 125.6 81 125 A W E > +J 134 0C 0 -2,-0.4 3,-1.8 5,-0.4 53,-0.2 -0.808 62.4 2.9-108.3 152.8 45.7 46.5 122.5 82 126 A D T 3 S- 0 0 32 51,-2.5 51,-0.2 -2,-0.3 -1,-0.2 0.704 124.1 -60.1 56.3 31.5 44.4 49.4 120.4 83 127 A G T 3 S+ 0 0 48 -3,-0.2 -1,-0.3 1,-0.2 50,-0.1 0.512 89.3 156.9 78.0 9.7 46.1 52.1 122.6 84 128 A N < - 0 0 48 -3,-1.8 -1,-0.2 1,-0.1 4,-0.1 -0.296 45.4-140.5 -68.8 150.6 44.2 51.1 125.8 85 129 A D S S+ 0 0 149 2,-0.1 -1,-0.1 -5,-0.0 -5,-0.0 0.457 85.5 69.2 -89.2 -2.6 45.8 52.1 129.2 86 130 A Y S S- 0 0 66 -5,-0.2 -5,-0.4 245,-0.0 2,-0.2 -0.899 86.8-116.7-112.0 147.2 44.7 48.6 130.6 87 131 A P - 0 0 20 0, 0.0 245,-0.4 0, 0.0 -7,-0.3 -0.590 14.0-165.6 -81.8 145.8 46.2 45.3 129.7 88 132 A S S S+ 0 0 0 -9,-2.4 82,-1.6 -2,-0.2 2,-0.4 0.495 87.0 48.4-100.0 -11.1 43.9 42.6 128.0 89 133 A V E +Kl 79 170C 0 -10,-1.5 -10,-2.0 80,-0.3 2,-0.3 -1.000 67.7 159.7-125.4 126.4 46.7 40.0 128.8 90 134 A E E +Kl 78 171C 30 80,-2.0 82,-1.7 -2,-0.4 -12,-0.2 -0.885 16.2 125.5-151.1 117.1 48.1 39.8 132.3 91 135 A S E -K 77 0C 1 -14,-2.0 -14,-2.8 -2,-0.3 230,-0.1 -0.929 64.4 -91.3-163.9 147.3 49.9 36.8 133.7 92 136 A P E > -K 76 0C 4 0, 0.0 4,-2.1 0, 0.0 -16,-0.3 -0.361 50.0-125.6 -53.0 135.9 53.1 35.6 135.4 93 137 A I H > S+ 0 0 0 -18,-3.5 4,-1.7 -21,-0.3 -20,-0.2 0.863 103.1 53.6 -67.4 -37.4 55.1 34.5 132.3 94 138 A G H >4>S+ 0 0 1 -22,-2.5 5,-2.1 -19,-0.3 3,-0.9 0.994 112.7 43.4 -60.0 -57.4 55.8 30.9 133.3 95 139 A P H >45S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.847 109.1 59.2 -56.8 -35.5 52.2 30.1 133.9 96 140 A F H 3<5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.887 111.2 41.3 -59.0 -40.1 51.2 31.9 130.7 97 141 A F T <<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.9 26,-0.2 0.227 128.9 -93.4 -94.3 15.0 53.4 29.5 128.7 98 142 A G T < 5S+ 0 0 0 -3,-1.4 2,-0.5 -4,-0.3 -2,-0.1 0.838 87.2 124.2 79.8 33.4 52.4 26.4 130.6 99 143 A Q < - 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