==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUL-13 4LR4 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM RECTALE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1381 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 829 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 475 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 113 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.7 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 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 0 RESIDUES PER ALPHA HELIX . 8 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 16 12 1 3 12 4 8 4 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 8 4 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 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 35 A H 0 0 140 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.0 -1.0 37.4 182.6 2 36 A F - 0 0 33 132,-0.0 2,-1.0 127,-0.0 132,-0.1 -0.812 360.0-158.7 -91.4 100.2 -0.7 35.0 179.6 3 37 A N + 0 0 75 -2,-0.8 132,-0.2 130,-0.4 -1,-0.0 -0.737 33.7 148.1 -92.0 96.1 -1.2 31.4 181.1 4 38 A T + 0 0 10 -2,-1.0 -1,-0.2 1,-0.1 177,-0.0 0.837 65.6 64.9 -87.2 -44.6 0.4 29.0 178.6 5 39 A E S S+ 0 0 129 2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.779 87.1 76.1 -52.1 -47.2 1.5 26.4 181.3 6 40 A D S S- 0 0 44 1,-0.1 2,-0.1 0, 0.0 -3,-0.0 -0.651 81.7-126.2 -84.6 130.4 -2.1 25.4 182.4 7 41 A N - 0 0 127 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 -0.308 23.8-136.0 -64.0 148.8 -4.1 23.0 180.1 8 42 A D - 0 0 50 1,-0.1 -1,-0.1 -2,-0.1 136,-0.0 -0.767 12.1-144.4-114.5 159.1 -7.6 24.1 179.1 9 43 A T S S+ 0 0 152 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.770 102.0 58.3 -86.2 -33.5 -11.0 22.2 178.9 10 44 A D S S+ 0 0 78 2,-0.0 2,-0.4 135,-0.0 136,-0.3 0.553 85.9 104.9 -75.3 -9.1 -12.1 24.0 175.7 11 45 A L + 0 0 23 134,-0.1 2,-0.3 132,-0.1 134,-0.2 -0.594 47.6 178.9 -79.2 129.7 -8.9 22.7 173.9 12 46 A T E -A 144 0A 72 132,-2.2 132,-2.6 -2,-0.4 2,-0.2 -0.924 38.8 -96.9-126.1 149.0 -9.5 19.9 171.4 13 47 A L E -A 143 0A 111 -2,-0.3 2,-0.3 130,-0.2 130,-0.3 -0.537 44.1-134.4 -69.4 129.0 -6.8 18.3 169.3 14 48 A L - 0 0 22 128,-2.7 2,-0.5 -2,-0.2 -1,-0.1 -0.639 7.1-134.8 -89.6 148.4 -6.8 19.8 165.8 15 49 A Q - 0 0 156 -2,-0.3 2,-0.5 2,-0.0 137,-0.2 -0.906 13.9-132.1-108.8 126.6 -6.7 17.9 162.6 16 50 A S + 0 0 53 -2,-0.5 2,-0.4 137,-0.1 137,-0.3 -0.656 38.0 169.1 -73.5 116.3 -4.4 19.0 159.8 17 51 A K + 0 0 164 135,-2.6 135,-0.4 -2,-0.5 2,-0.3 -0.997 16.1 175.6-140.7 134.4 -6.4 19.0 156.5 18 52 A I - 0 0 38 -2,-0.4 2,-0.2 133,-0.1 326,-0.1 -0.951 39.5-101.6-130.9 145.9 -5.7 20.4 153.1 19 53 A A - 0 0 43 324,-1.3 2,-0.9 -2,-0.3 323,-0.1 -0.548 23.9-131.9 -75.1 134.1 -8.0 20.0 150.0 20 54 A T - 0 0 145 -2,-0.2 2,-0.4 325,-0.0 325,-0.1 -0.805 40.1-175.9 -82.2 100.9 -7.0 17.3 147.4 21 55 A E - 0 0 54 -2,-0.9 2,-0.4 323,-0.4 217,-0.0 -0.933 15.5-168.6-115.5 136.0 -7.3 19.5 144.3 22 56 A E - 0 0 138 -2,-0.4 2,-0.6 2,-0.0 -2,-0.0 -0.977 17.9-139.6-126.2 135.6 -6.9 18.5 140.7 23 57 A V - 0 0 14 -2,-0.4 215,-0.2 215,-0.1 2,-0.2 -0.855 30.4-161.8 -92.9 110.4 -6.7 20.8 137.5 24 58 A T E -G 237 0B 64 213,-2.1 213,-1.8 -2,-0.6 2,-0.3 -0.545 6.8-150.0 -97.2 160.8 -8.8 19.1 134.7 25 59 A C E -G 236 0B 35 211,-0.2 2,-0.3 -2,-0.2 211,-0.2 -0.982 11.0-178.1-133.9 145.3 -8.7 19.6 130.9 26 60 A D E G 235 0B 85 209,-1.2 209,-2.6 -2,-0.3 -2,-0.0 -0.981 360.0 360.0-145.3 126.6 -11.4 19.3 128.1 27 61 A F 0 0 100 -2,-0.3 208,-0.1 207,-0.2 -1,-0.1 0.453 360.0 360.0 -85.9 360.0 -11.1 19.7 124.3 28 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 29 77 A R 0 0 157 0, 0.0 2,-0.1 0, 0.0 248,-0.1 0.000 360.0 360.0 360.0 151.7 -13.6 36.5 134.1 30 78 A V - 0 0 69 275,-0.2 273,-3.2 272,-0.1 2,-0.1 -0.196 360.0-151.9 -47.7 111.4 -12.8 35.0 137.6 31 79 A S - 0 0 89 271,-0.3 2,-0.4 -2,-0.1 271,-0.1 -0.432 21.0-102.9 -84.4 160.0 -10.3 37.4 139.4 32 80 A N > - 0 0 14 4,-0.2 3,-1.3 -2,-0.1 213,-0.1 -0.736 20.4-143.3 -86.4 130.4 -7.8 36.3 142.0 33 81 A K T 3 S+ 0 0 56 211,-1.2 -1,-0.1 -2,-0.4 212,-0.1 0.601 100.6 48.8 -68.3 -12.8 -8.8 37.2 145.7 34 82 A Y T 3 S- 0 0 4 210,-0.3 -1,-0.2 2,-0.1 41,-0.2 0.406 109.9-119.0-106.1 -2.6 -5.1 38.0 146.7 35 83 A X < + 0 0 116 -3,-1.3 -2,-0.1 1,-0.2 5,-0.1 0.578 56.2 165.0 70.1 17.5 -4.4 40.2 143.6 36 84 A W + 0 0 1 3,-0.1 266,-0.4 2,-0.1 2,-0.2 -0.260 3.9 146.5 -65.7 147.7 -1.6 37.7 142.6 37 85 A S > - 0 0 17 264,-0.1 3,-1.5 210,-0.1 212,-0.2 -0.880 64.4 -59.6-161.0-169.5 -0.3 38.0 139.0 38 86 A A T 3 S+ 0 0 33 261,-0.4 211,-0.1 1,-0.3 -2,-0.1 0.655 130.0 54.6 -63.6 -17.7 2.8 37.6 136.8 39 87 A S T 3 S+ 0 0 56 2,-0.1 -1,-0.3 259,-0.0 2,-0.1 0.561 83.4 105.7 -95.3 -11.8 4.6 40.2 138.9 40 88 A T S < S- 0 0 14 -3,-1.5 2,-0.5 1,-0.1 37,-0.3 -0.424 71.9-124.0 -70.9 143.8 4.0 38.5 142.4 41 89 A X - 0 0 58 35,-3.7 37,-0.1 -2,-0.1 -1,-0.1 -0.806 24.1-131.5 -93.2 125.0 7.1 36.8 143.9 42 90 A E - 0 0 78 -2,-0.5 2,-0.5 35,-0.1 161,-0.2 -0.318 17.6-118.9 -70.2 154.7 6.7 33.1 144.7 43 91 A Y - 0 0 12 159,-3.3 2,-0.4 -2,-0.0 161,-0.3 -0.872 27.8-175.0-100.0 127.5 7.6 31.6 148.1 44 92 A N >> - 0 0 54 -2,-0.5 3,-1.6 1,-0.1 4,-1.1 -0.977 19.5-159.3-123.2 117.8 10.4 28.9 148.2 45 93 A F T 34 S+ 0 0 21 -2,-0.4 115,-0.5 1,-0.3 3,-0.2 0.818 97.7 59.9 -59.9 -31.7 11.2 27.2 151.6 46 94 A S T 34 S+ 0 0 107 1,-0.2 -1,-0.3 113,-0.1 115,-0.1 0.623 108.5 44.1 -72.4 -15.6 14.6 26.2 150.0 47 95 A D T <4 S+ 0 0 102 -3,-1.6 -1,-0.2 2,-0.1 2,-0.2 0.600 84.4 114.9-101.4 -21.1 15.3 30.0 149.5 48 96 A Q < - 0 0 21 -4,-1.1 112,-0.5 -3,-0.2 2,-0.3 -0.385 47.5-168.2 -59.6 118.4 14.2 31.2 153.0 49 97 A K - 0 0 173 -2,-0.2 2,-0.3 110,-0.1 -2,-0.1 -0.821 9.9-145.5-107.8 147.7 17.1 32.5 155.0 50 98 A W - 0 0 34 -2,-0.3 144,-0.0 144,-0.0 2,-0.0 -0.906 26.9-106.4-111.1 145.9 17.2 33.4 158.7 51 99 A T - 0 0 40 -2,-0.3 5,-0.1 1,-0.1 38,-0.0 -0.361 14.7-143.9 -67.4 145.1 19.2 36.2 160.2 52 100 A S S S+ 0 0 117 3,-0.0 2,-0.8 4,-0.0 -1,-0.1 0.536 71.0 112.0 -85.7 -4.2 22.3 35.1 162.2 53 101 A N > - 0 0 67 1,-0.2 3,-1.8 2,-0.1 -2,-0.1 -0.568 54.1-163.9 -77.1 104.2 21.6 38.0 164.6 54 102 A T T 3 S+ 0 0 64 -2,-0.8 36,-0.6 1,-0.3 3,-0.4 0.822 89.3 53.6 -53.9 -37.6 20.5 36.5 168.0 55 103 A E T > + 0 0 64 1,-0.2 3,-0.9 2,-0.1 4,-0.4 0.105 69.8 120.1 -93.1 23.0 19.0 39.9 169.1 56 104 A I G X + 0 0 25 -3,-1.8 3,-1.5 1,-0.3 4,-0.3 0.822 68.3 60.1 -58.4 -39.4 16.8 40.3 166.0 57 105 A F G > S+ 0 0 6 -3,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.826 98.4 57.7 -59.5 -36.5 13.6 40.4 168.1 58 106 A S G < S+ 0 0 64 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.588 92.8 69.7 -74.2 -7.4 14.8 43.5 170.0 59 107 A T G < S+ 0 0 88 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.641 81.7 95.5 -81.2 -14.5 15.1 45.4 166.7 60 108 A Y S < S- 0 0 44 -3,-1.3 2,-0.0 -4,-0.3 27,-0.0 -0.604 81.2-120.0 -81.4 134.9 11.3 45.4 166.4 61 109 A A - 0 0 90 -2,-0.3 8,-0.5 8,-0.1 2,-0.3 -0.356 29.7-135.5 -67.5 149.2 9.4 48.5 167.6 62 110 A K - 0 0 104 6,-0.1 6,-0.2 -4,-0.1 2,-0.1 -0.799 11.3-115.9-109.9 153.7 6.9 47.8 170.4 63 111 A T > - 0 0 35 4,-2.8 3,-2.0 -2,-0.3 -1,-0.1 -0.305 41.5 -97.1 -72.5 170.2 3.3 49.0 170.8 64 112 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.758 129.6 54.5 -61.4 -20.7 2.4 51.2 173.8 65 113 A E T 3 S- 0 0 126 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.416 123.9-104.0 -91.7 -4.6 1.3 47.9 175.5 66 114 A G S < S+ 0 0 37 -3,-2.0 2,-0.3 1,-0.3 37,-0.2 0.623 77.3 126.0 91.8 15.7 4.6 46.2 174.9 67 115 A F - 0 0 26 35,-0.1 -4,-2.8 37,-0.0 2,-0.5 -0.736 59.3-125.6-101.9 154.6 3.8 43.8 172.0 68 116 A V E -b 104 0A 2 35,-1.8 37,-2.5 -2,-0.3 2,-0.2 -0.875 32.0-127.4 -95.1 126.9 5.5 43.5 168.6 69 117 A X E -b 105 0A 76 -2,-0.5 37,-0.2 -8,-0.5 -8,-0.1 -0.536 26.9-109.3 -72.6 142.0 2.9 43.9 165.9 70 118 A S - 0 0 15 35,-1.8 -1,-0.1 -2,-0.2 16,-0.1 -0.232 29.1-112.1 -66.6 159.0 2.7 41.2 163.2 71 119 A G - 0 0 5 14,-0.5 2,-0.3 124,-0.2 14,-0.2 -0.264 25.2-133.5 -78.3 173.3 3.9 41.7 159.7 72 120 A F - 0 0 105 12,-0.1 2,-0.5 -2,-0.1 126,-0.3 -0.835 7.1-152.5-140.0 102.3 1.4 41.7 156.9 73 121 A L B +k 198 0C 1 124,-3.2 126,-2.5 -2,-0.3 2,-0.4 -0.614 25.2 168.4 -75.1 114.0 2.1 39.7 153.7 74 122 A L - 0 0 84 -2,-0.5 3,-0.2 124,-0.1 -2,-0.1 -0.847 65.8 -45.6-139.3 101.7 0.2 41.4 150.9 75 123 A N S S- 0 0 20 -2,-0.4 2,-0.2 -41,-0.2 -1,-0.0 0.935 71.7-142.3 42.8 68.8 0.9 40.4 147.3 76 124 A P + 0 0 0 0, 0.0 -35,-3.7 0, 0.0 -1,-0.2 -0.431 26.3 178.0 -63.9 126.6 4.8 40.3 147.6 77 125 A K + 0 0 125 -37,-0.3 2,-0.3 -2,-0.2 -35,-0.1 0.530 64.5 7.3-103.8 -7.5 6.4 41.6 144.5 78 126 A G S >> S- 0 0 18 -37,-0.1 3,-1.2 1,-0.1 4,-0.9 -0.981 83.4 -87.1-163.8 172.4 10.0 41.4 145.7 79 127 A Q H >> S+ 0 0 102 -2,-0.3 4,-2.1 1,-0.3 3,-0.8 0.855 118.7 61.4 -54.6 -42.8 12.4 40.2 148.4 80 128 A S H 3> S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.801 100.1 56.1 -55.1 -35.0 12.0 43.5 150.4 81 129 A N H <> S+ 0 0 65 -3,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.836 110.4 43.7 -67.0 -36.7 8.2 42.7 150.8 82 130 A Y H -L 192 0C 43 -36,-0.6 3,-1.3 -2,-0.3 102,-0.2 -0.982 17.3-148.7-118.6 124.2 15.8 33.4 168.9 91 139 A L T 3 S+ 0 0 2 100,-2.8 91,-0.2 -2,-0.5 101,-0.1 0.411 96.3 64.1 -79.7 9.8 14.3 32.4 172.2 92 140 A N T 3 S+ 0 0 91 99,-0.1 -1,-0.3 -38,-0.1 -37,-0.1 0.142 82.2 113.8-109.9 16.0 17.8 32.4 173.8 93 141 A D S X S- 0 0 10 -3,-1.3 3,-0.7 -39,-0.2 4,-0.4 -0.174 85.7 -99.1 -78.3 176.4 18.3 36.1 173.2 94 142 A S T 3 S+ 0 0 88 1,-0.2 4,-0.4 2,-0.1 3,-0.2 0.687 118.8 60.7 -69.2 -24.3 18.5 38.9 176.0 95 143 A A T 3> S+ 0 0 18 1,-0.2 4,-0.6 2,-0.1 3,-0.3 0.674 87.0 75.8 -78.0 -22.7 14.8 39.8 175.6 96 144 A Y H <>>S+ 0 0 13 -3,-0.7 5,-1.6 1,-0.2 4,-1.1 0.874 87.6 54.7 -61.1 -47.8 13.4 36.3 176.5 97 145 A D H 45S+ 0 0 122 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.798 91.3 74.3 -64.0 -29.9 13.9 36.3 180.3 98 146 A E H 45S- 0 0 155 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.898 125.7 -0.9 -48.1 -57.2 11.9 39.6 181.0 99 147 A N H <5S- 0 0 90 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.209 103.7-106.8-122.2 14.5 8.5 38.0 180.4 100 148 A Q T <5S+ 0 0 94 -4,-1.1 2,-0.2 -5,-0.1 -3,-0.2 0.948 90.4 29.8 56.4 57.4 9.6 34.4 179.6 101 149 A G S - 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