==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-AUG-10 2L1S . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN YOHN; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR A.WAHAB,P.SERRANO,M.GERALT,I.WILSON,K.WUTHRICH,JOINT CENTER . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 67.5 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 . 25 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 2 2.4 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 . 12 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 3.6 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 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 . 2 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A G 0 0 131 0, 0.0 2,-0.2 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 171.6 -12.9 -19.3 -8.5 2 2 A A - 0 0 70 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.544 360.0-169.3 -68.4 153.5 -9.9 -17.1 -9.0 3 3 A A + 0 0 99 -2,-0.2 -1,-0.1 3,-0.0 2,-0.0 -0.477 66.8 60.6-139.9 58.4 -6.6 -18.8 -7.9 4 4 A G S S- 0 0 27 78,-0.0 40,-0.1 0, 0.0 78,-0.0 0.029 111.6 -48.5-143.9-107.6 -4.4 -15.8 -8.0 5 5 A I S > S+ 0 0 45 2,-0.1 3,-1.8 39,-0.0 74,-0.1 0.538 106.9 84.8-130.5 -18.6 -4.5 -12.5 -6.2 6 6 A D G > S+ 0 0 111 1,-0.3 3,-1.8 2,-0.2 -3,-0.0 0.803 83.0 68.2 -66.2 -26.2 -8.1 -11.2 -6.5 7 7 A Q G 3 S+ 0 0 91 1,-0.3 -1,-0.3 68,-0.0 -2,-0.1 0.677 104.1 43.7 -61.5 -23.0 -8.9 -13.4 -3.4 8 8 A Y G < S+ 0 0 44 -3,-1.8 68,-2.3 68,-0.1 2,-0.8 0.230 88.7 111.4-101.4 4.5 -6.8 -11.0 -1.4 9 9 A A B < +A 75 0A 38 -3,-1.8 66,-0.2 66,-0.2 2,-0.0 -0.773 45.8 179.7 -87.9 111.3 -8.3 -7.8 -3.1 10 10 A L - 0 0 64 64,-1.0 64,-0.3 -2,-0.8 3,-0.1 -0.082 26.7-149.5 -81.9-165.5 -10.4 -5.9 -0.6 11 11 A K S S- 0 0 137 1,-0.5 11,-1.5 9,-0.1 2,-0.3 0.395 73.1 -4.6-134.3 -14.0 -12.3 -2.7 -1.1 12 12 A E E +E 21 0B 92 9,-0.2 -1,-0.5 2,-0.0 2,-0.3 -0.966 57.1 160.1 178.5 159.1 -12.1 -1.1 2.4 13 13 A F E -E 20 0B 23 7,-1.8 7,-2.2 -2,-0.3 2,-0.4 -0.918 35.5-104.8-167.3-175.5 -10.9 -1.6 6.0 14 14 A T E +E 19 0B 80 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.984 39.8 156.3-128.5 135.5 -10.1 0.2 9.2 15 15 A A E > +E 18 0B 13 3,-2.1 3,-2.8 -2,-0.4 -2,-0.1 -0.938 66.2 16.7-134.5 162.0 -6.5 0.7 10.4 16 16 A D T 3 S- 0 0 76 1,-0.3 3,-0.1 -2,-0.3 41,-0.0 0.693 128.9 -65.2 62.3 20.7 -5.1 3.4 12.7 17 17 A F T 3 S+ 0 0 213 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.724 116.0 113.2 62.3 29.4 -8.6 4.3 13.9 18 18 A T E < -E 15 0B 55 -3,-2.8 -3,-2.1 2,-0.0 2,-0.3 -0.997 60.2-144.8-130.0 122.5 -9.3 5.5 10.4 19 19 A Q E -E 14 0B 118 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.701 26.3-179.2 -80.6 147.0 -11.8 3.8 8.0 20 20 A F E -E 13 0B 1 -7,-2.2 -7,-1.8 -2,-0.3 2,-0.2 -0.982 13.3-174.6-147.2 158.5 -10.8 3.8 4.3 21 21 A H E > -E 12 0B 65 -2,-0.3 3,-2.2 -9,-0.2 2,-0.8 -0.803 52.3 -63.3-138.2 173.4 -12.1 2.7 0.9 22 22 A I T 3 S+ 0 0 88 -11,-1.5 50,-0.2 1,-0.3 3,-0.1 -0.580 131.0 24.4 -59.6 108.2 -11.0 2.6 -2.7 23 23 A G T 3 S+ 0 0 41 48,-1.8 -1,-0.3 -2,-0.8 49,-0.1 0.398 92.3 116.8 105.8 2.4 -10.6 6.3 -3.3 24 24 A D < - 0 0 54 -3,-2.2 47,-3.1 47,-0.2 -1,-0.4 -0.215 63.3-120.4 -68.9-178.1 -10.1 7.6 0.3 25 25 A T B -F 70 0C 69 45,-0.3 45,-0.3 -3,-0.1 44,-0.1 -0.965 14.8-130.3-124.2 147.0 -6.7 9.2 1.0 26 26 A V - 0 0 13 43,-2.5 2,-0.2 -2,-0.4 -6,-0.0 -0.460 30.8-103.6 -79.1 162.1 -4.1 8.2 3.6 27 27 A P > - 0 0 43 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.536 38.1-101.2 -73.8 162.3 -2.5 10.6 6.1 28 28 A A G >> S+ 0 0 80 1,-0.3 3,-1.0 2,-0.2 4,-1.0 0.673 113.4 84.2 -61.3 -16.3 1.0 11.9 5.4 29 29 A M G 34 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.657 99.4 37.2 -60.1 -17.2 2.2 9.4 8.0 30 30 A Y G <4 S+ 0 0 25 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.359 99.0 74.4-119.9 1.7 2.2 6.8 5.2 31 31 A L T <4 S+ 0 0 41 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.1 0.716 76.1 101.7 -75.6 -26.2 3.4 9.0 2.3 32 32 A T S >< S- 0 0 40 -4,-1.0 3,-1.3 1,-0.1 4,-0.3 -0.322 85.9-123.0 -58.0 144.4 6.9 8.7 3.9 33 33 A P G > S+ 0 0 95 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.542 95.8 94.4 -70.7 -4.2 9.2 6.2 2.1 34 34 A E G 3 S+ 0 0 156 1,-0.2 -2,-0.1 3,-0.1 -3,-0.0 0.604 97.6 30.4 -60.0 -14.9 9.5 4.4 5.5 35 35 A Y G < S+ 0 0 100 -3,-1.3 21,-1.0 -5,-0.1 2,-0.6 0.359 89.3 124.1-122.6 -5.1 6.6 2.1 4.4 36 36 A N E < -B 55 0A 46 -3,-0.6 2,-1.3 -4,-0.3 19,-0.2 -0.506 44.6-162.3 -68.3 106.7 7.3 2.1 0.6 37 37 A I E +B 54 0A 30 17,-2.8 17,-0.5 -2,-0.6 -1,-0.1 -0.722 22.0 165.0 -90.6 83.6 7.6 -1.5 -0.6 38 38 A K + 0 0 152 -2,-1.3 2,-1.5 1,-0.2 3,-0.4 0.651 63.2 86.8 -63.7 -16.9 9.3 -0.9 -4.0 39 39 A Q + 0 0 118 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 -0.611 50.2 120.2 -90.1 70.8 10.0 -4.6 -3.6 40 40 A W > + 0 0 55 -2,-1.5 3,-0.7 3,-0.1 5,-0.2 0.587 53.5 71.9-111.9 -19.5 6.8 -5.8 -5.2 41 41 A Q T 3 S+ 0 0 152 -3,-0.4 2,-0.9 1,-0.3 -2,-0.1 0.881 91.1 60.3 -72.2 -36.0 7.9 -7.9 -8.2 42 42 A Q T 3 S+ 0 0 178 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.180 106.6 65.6 -78.1 38.1 9.2 -10.8 -5.9 43 43 A R S < S- 0 0 78 -2,-0.9 37,-0.1 -3,-0.7 40,-0.1 -0.953 94.7-111.1-146.4 166.1 5.6 -11.0 -4.8 44 44 A N S S+ 0 0 58 35,-0.6 36,-0.1 -2,-0.3 -3,-0.1 0.640 80.6 118.4 -71.4 -16.5 2.2 -11.9 -6.3 45 45 A L - 0 0 12 -5,-0.2 -2,-0.2 34,-0.1 2,-0.1 -0.157 69.6-107.2 -59.9 148.7 1.2 -8.2 -6.0 46 46 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.356 41.3 -88.5 -74.1 157.8 0.3 -6.2 -9.2 47 47 A A - 0 0 56 1,-0.1 -6,-0.0 -2,-0.1 0, 0.0 -0.358 53.0-105.8 -67.7 142.6 2.6 -3.5 -10.6 48 48 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.094 35.5 -90.6 -73.4 162.9 1.9 0.0 -9.1 49 49 A D > - 0 0 64 1,-0.1 2,-2.5 2,-0.1 3,-1.2 -0.284 54.3 -89.3 -68.5 160.6 0.1 3.0 -10.8 50 50 A A T 3 S+ 0 0 119 1,-0.3 -1,-0.1 15,-0.0 3,-0.1 -0.238 122.4 21.6 -81.0 50.7 2.4 5.4 -12.7 51 51 A G T 3 S+ 0 0 39 -2,-2.5 15,-1.6 1,-0.2 16,-0.5 0.216 110.9 83.2 153.5 38.9 3.1 7.7 -9.7 52 52 A S E < - C 0 65A 18 -3,-1.2 2,-0.3 13,-0.3 13,-0.3 -0.937 53.1-148.8-148.4 172.2 2.4 5.5 -6.6 53 53 A H E - C 0 64A 10 11,-2.4 11,-2.5 -2,-0.3 2,-0.3 -0.988 27.6-102.7-145.6 156.4 3.9 2.9 -4.3 54 54 A W E -BC 37 63A 1 -17,-0.5 -17,-2.8 -2,-0.3 2,-0.4 -0.614 38.9-167.1 -73.3 141.4 2.8 -0.1 -2.2 55 55 A T E -BC 36 62A 0 7,-2.8 7,-2.2 -2,-0.3 2,-1.0 -0.974 23.8-127.2-136.3 131.9 2.6 0.7 1.5 56 56 A Y E + C 0 61A 86 -21,-1.0 5,-0.2 -2,-0.4 2,-0.0 -0.807 39.2 174.3 -85.2 100.3 2.2 -1.8 4.5 57 57 A M - 0 0 14 3,-2.5 2,-2.6 -2,-1.0 -42,-0.0 0.102 59.7 -34.4 -77.5-155.7 -0.8 -0.4 6.3 58 58 A G S S- 0 0 55 1,-0.2 -44,-0.1 -2,-0.0 3,-0.1 -0.329 122.7 -44.1 -69.0 61.0 -2.4 -2.2 9.4 59 59 A G S S+ 0 0 38 -2,-2.6 18,-1.5 1,-0.4 2,-0.3 0.565 127.5 88.1 87.2 13.4 -1.7 -5.7 8.1 60 60 A N E S- D 0 76A 17 16,-0.2 -3,-2.5 17,-0.1 2,-0.6 -0.932 76.6-122.8-134.9 154.7 -2.9 -4.9 4.6 61 61 A Y E -CD 56 75A 12 14,-2.6 14,-2.7 -2,-0.3 2,-0.3 -0.912 29.8-172.4-102.6 115.5 -1.0 -3.5 1.6 62 62 A V E -CD 55 74A 0 -7,-2.2 -7,-2.8 -2,-0.6 2,-0.5 -0.809 19.3-136.0-102.7 149.3 -2.4 -0.3 0.2 63 63 A L E -CD 54 73A 0 10,-2.8 9,-1.7 -2,-0.3 10,-0.8 -0.945 28.8-175.4-100.9 126.1 -1.3 1.4 -3.0 64 64 A I E -CD 53 71A 0 -11,-2.5 -11,-2.4 -2,-0.5 2,-0.2 -0.972 27.6-117.6-130.0 135.8 -0.9 5.2 -2.5 65 65 A T E >> -C 52 0A 24 5,-1.0 3,-1.3 -2,-0.4 4,-0.7 -0.534 15.9-142.0 -64.8 133.8 -0.1 8.0 -5.0 66 66 A D T 34 S+ 0 0 100 -15,-1.6 -14,-0.1 1,-0.3 -1,-0.1 0.490 104.2 48.6 -74.1 -2.3 3.2 9.7 -4.1 67 67 A T T 34 S- 0 0 121 -16,-0.5 -1,-0.3 3,-0.1 -15,-0.1 0.082 138.3 -3.2-127.2 13.2 1.5 12.9 -5.3 68 68 A E T <4 S- 0 0 123 -3,-1.3 -2,-0.2 2,-0.1 -37,-0.1 0.130 79.0-130.5-164.4 -48.2 -1.8 12.6 -3.4 69 69 A G < + 0 0 0 -4,-0.7 -43,-2.5 1,-0.2 2,-0.1 0.757 41.0 169.4 70.8 33.9 -1.9 9.3 -1.5 70 70 A K B -F 25 0C 95 -45,-0.3 2,-1.4 1,-0.1 -5,-1.0 -0.485 48.1-109.7 -55.8 143.0 -5.4 8.4 -2.8 71 71 A I E + D 0 64A 0 -47,-3.1 -48,-1.8 -50,-0.2 -47,-0.2 -0.689 47.4 172.3 -82.0 86.9 -6.0 4.7 -1.9 72 72 A L E - 0 0 33 -9,-1.7 2,-0.3 -2,-1.4 -1,-0.2 0.915 63.7 -6.4 -63.6 -49.7 -5.7 3.4 -5.5 73 73 A K E - D 0 63A 56 -10,-0.8 -10,-2.8 -3,-0.2 2,-0.3 -0.953 59.8-155.6-146.2 161.0 -5.9 -0.3 -4.5 74 74 A V E + D 0 62A 3 -64,-0.3 -64,-1.0 -2,-0.3 2,-0.3 -0.988 11.5 176.3-144.2 131.6 -5.9 -2.4 -1.3 75 75 A Y E -AD 9 61A 20 -14,-2.7 -14,-2.6 -2,-0.3 -66,-0.2 -0.948 33.4-109.3-127.3 153.8 -4.8 -6.1 -0.8 76 76 A D E > - D 0 60A 40 -68,-2.3 3,-0.9 -2,-0.3 -16,-0.2 -0.349 30.2-113.5 -72.5 160.3 -4.7 -8.1 2.4 77 77 A G G > S+ 0 0 4 -18,-1.5 3,-2.4 1,-0.2 4,-0.3 0.731 104.0 81.7 -66.0 -23.3 -1.3 -9.0 3.9 78 78 A E G >> S+ 0 0 122 1,-0.3 3,-1.4 -19,-0.2 4,-1.1 0.767 73.8 75.1 -63.3 -20.7 -1.8 -12.8 3.3 79 79 A I G <4 S+ 0 0 2 -3,-0.9 -35,-0.6 1,-0.3 -1,-0.3 0.691 85.5 67.6 -59.1 -20.2 -0.7 -12.3 -0.4 80 80 A F G <4 S+ 0 0 98 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.815 103.1 40.8 -70.6 -35.3 2.8 -12.1 1.1 81 81 A Y T <4 S+ 0 0 158 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.680 93.3 109.1 -88.4 -17.9 2.9 -15.8 2.1 82 82 A H < 0 0 61 -4,-1.1 -38,-0.2 1,-0.1 -77,-0.0 -0.157 360.0 360.0 -62.0 152.1 1.2 -16.9 -1.1 83 83 A R 0 0 258 -40,-0.1 -1,-0.1 -39,-0.0 -4,-0.0 0.499 360.0 360.0-136.6 360.0 3.4 -18.9 -3.6