==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 17-JUL-13 4LQB . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KRIBBELLA FLAVIDA; . AUTHOR C.CHANG,G.CHHOR,M.ENDRES,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 24.0 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 0 0 2 0 0 2 0 2 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 2 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 PARALLEL BRIDGES PER LADDER . 2 4 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 -2 A S 0 0 150 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.0 55.7 16.5 30.9 2 -1 A N - 0 0 47 1,-0.1 3,-0.1 81,-0.1 78,-0.0 -0.353 360.0-120.1 -65.4 119.0 54.3 16.3 27.4 3 0 A A - 0 0 47 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.218 31.8-101.6 -55.8 141.6 51.7 13.5 27.1 4 1 A X + 0 0 161 124,-0.1 2,-0.3 126,-0.0 -1,-0.1 -0.509 67.2 134.0 -64.5 129.6 52.5 10.8 24.5 5 2 A H E -A 129 0A 10 124,-1.2 124,-3.1 -2,-0.2 2,-0.3 -0.935 45.1-111.7-165.1-177.8 50.4 11.5 21.4 6 3 A R E +A 128 0A 71 -2,-0.3 70,-1.4 122,-0.2 71,-0.4 -0.940 28.4 167.3-133.1 149.7 50.6 11.8 17.6 7 4 A S E +AB 127 75A 2 120,-2.2 120,-3.0 -2,-0.3 2,-0.3 -0.995 6.9 165.9-155.7 159.6 50.3 14.5 15.0 8 5 A R E - B 0 74A 23 66,-1.8 66,-2.5 -2,-0.3 2,-0.5 -0.960 48.0 -87.2-160.4 163.6 50.8 15.5 11.3 9 6 A V E + B 0 73A 9 171,-0.3 64,-0.2 -2,-0.3 3,-0.1 -0.690 48.9 165.3 -73.0 123.6 49.9 18.2 8.9 10 7 A S E + 0 0 4 62,-2.4 46,-2.5 -2,-0.5 2,-0.4 0.661 51.8 40.4-111.2 -24.9 46.5 17.1 7.4 11 8 A T E -cB 56 72A 10 61,-1.2 61,-2.1 44,-0.2 2,-0.5 -0.986 52.1-155.4-142.7 136.0 45.1 20.1 5.7 12 9 A V E -cB 57 71A 3 44,-2.5 46,-2.0 -2,-0.4 2,-0.4 -0.971 24.9-160.4-110.0 123.8 46.1 23.0 3.5 13 10 A L E -cB 58 70A 1 57,-2.8 57,-1.8 -2,-0.5 2,-0.7 -0.887 17.7-157.3-114.5 136.0 43.8 26.0 3.7 14 11 A I E -cB 59 69A 1 44,-2.7 46,-2.6 -2,-0.4 2,-0.5 -0.932 22.7-158.0-107.7 102.1 43.3 28.9 1.4 15 12 A D E +cB 60 68A 0 53,-2.4 53,-1.9 -2,-0.7 46,-0.2 -0.755 19.3 167.2 -93.0 122.2 41.8 31.6 3.6 16 13 A V E -c 61 0A 0 44,-2.4 46,-3.2 -2,-0.5 5,-0.1 -0.988 44.8 -91.6-135.5 143.7 39.8 34.4 1.8 17 14 A P E >> -c 62 0A 36 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.256 46.7-113.3 -48.7 137.4 37.5 37.1 2.9 18 15 A R G >4 S+ 0 0 137 44,-2.7 3,-1.2 1,-0.3 4,-0.4 0.811 114.8 59.6 -49.4 -38.2 33.9 35.7 2.7 19 16 A E G 34 S+ 0 0 153 1,-0.3 -1,-0.3 43,-0.2 4,-0.2 0.733 111.3 40.4 -63.2 -26.6 32.9 38.0 -0.2 20 17 A Q G <> S+ 0 0 90 -3,-2.3 4,-2.5 1,-0.1 -1,-0.3 0.383 87.8 99.4-100.0 0.7 35.7 36.6 -2.4 21 18 A A H S+ 0 0 97 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.897 114.2 50.2 -67.8 -39.4 33.2 31.8 -4.3 23 20 A R H > S+ 0 0 72 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.893 112.0 49.4 -62.1 -41.4 35.5 33.6 -6.8 24 21 A S H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.939 110.8 48.0 -62.5 -49.7 38.5 31.9 -5.1 25 22 A A H X S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.893 109.8 54.3 -59.4 -40.5 37.0 28.4 -5.2 26 23 A Q H X S+ 0 0 131 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.923 111.4 45.2 -57.0 -46.8 36.2 29.1 -8.9 27 24 A F H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.948 114.2 46.1 -62.8 -51.6 39.8 29.9 -9.6 28 25 A W H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.863 109.4 55.2 -66.2 -35.6 41.3 27.0 -7.6 29 26 A A H X>S+ 0 0 24 -4,-2.5 5,-1.9 -5,-0.2 4,-1.2 0.937 116.6 37.7 -57.7 -47.5 38.9 24.5 -9.2 30 27 A G H <5S+ 0 0 26 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.855 117.4 51.2 -72.0 -37.1 40.1 25.6 -12.7 31 28 A A H <5S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.890 122.5 29.6 -68.3 -41.2 43.7 26.1 -11.7 32 29 A L H <5S- 0 0 22 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.574 104.1-122.5 -96.7 -12.3 44.1 22.6 -10.1 33 30 A G T <5 + 0 0 42 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.957 65.0 136.3 67.1 52.0 41.5 20.8 -12.3 34 31 A V < - 0 0 27 -5,-1.9 -1,-0.2 -6,-0.2 2,-0.2 -0.911 59.5-106.8-133.2 158.2 39.5 19.7 -9.3 35 32 A R - 0 0 188 14,-0.4 14,-2.3 -2,-0.3 2,-0.4 -0.568 35.3-159.5 -79.1 144.3 35.9 19.3 -8.1 36 33 A A E +D 48 0A 41 -2,-0.2 2,-0.3 12,-0.2 12,-0.2 -0.995 25.0 134.3-135.6 127.4 34.8 21.9 -5.4 37 34 A D E -D 47 0A 71 10,-1.4 10,-2.6 -2,-0.4 12,-0.0 -0.972 47.0-102.6-162.7 164.4 32.0 21.7 -2.9 38 35 A S - 0 0 56 -2,-0.3 8,-0.2 8,-0.3 3,-0.1 -0.760 32.3-125.1 -95.9 136.5 31.2 22.3 0.8 39 36 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 6,-0.2 -0.424 39.0 -88.7 -69.9 153.0 30.8 19.5 3.3 40 37 A P T 3 S+ 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.381 116.7 15.6 -55.4 135.7 27.6 19.2 5.5 41 38 A G T 3 S+ 0 0 77 -3,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.414 115.7 80.0 77.7 -0.6 28.0 21.3 8.6 42 39 A E X + 0 0 88 -3,-1.8 3,-2.2 1,-0.1 -1,-0.1 -0.361 41.8 150.5-135.4 53.3 30.9 23.2 7.1 43 40 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 18,-0.0 0.720 71.4 66.3 -61.9 -21.5 29.5 25.9 4.8 44 41 A Q T 3 S+ 0 0 72 -3,-0.1 17,-2.9 16,-0.1 2,-0.4 0.533 97.1 69.4 -74.8 -8.9 32.5 28.1 5.4 45 42 A Y E < - E 0 60A 25 -3,-2.2 2,-0.5 15,-0.2 15,-0.2 -0.907 59.5-166.1-112.7 141.3 34.7 25.5 3.7 46 43 A V E - E 0 59A 28 13,-2.5 13,-2.5 -2,-0.4 -8,-0.3 -0.956 23.9-140.4-122.3 109.0 34.9 24.5 0.0 47 44 A T E -DE 37 58A 22 -10,-2.6 -10,-1.4 -2,-0.5 2,-0.9 -0.493 2.5-149.9 -69.3 132.3 36.8 21.3 -0.4 48 45 A L E > -D 36 0A 2 9,-3.1 3,-1.6 -2,-0.2 9,-0.4 -0.852 30.2-134.9-101.5 91.9 39.1 21.1 -3.4 49 46 A H T 3 S- 0 0 77 -14,-2.3 -14,-0.4 -2,-0.9 7,-0.1 -0.234 72.3 -10.5 -63.7 127.4 38.9 17.3 -3.9 50 47 A G T 3 S+ 0 0 59 5,-0.2 -1,-0.3 2,-0.1 6,-0.1 0.684 86.3 138.9 65.0 21.9 42.1 15.4 -4.6 51 48 A A < + 0 0 15 -3,-1.6 87,-0.4 6,-0.2 -2,-0.1 0.877 69.6 23.1 -64.7 -41.4 44.2 18.6 -5.0 52 49 A L S > S- 0 0 5 3,-0.4 3,-1.3 -4,-0.3 -1,-0.2 -0.973 90.2-102.5-130.5 142.2 47.2 17.4 -3.0 53 50 A P T 3 S- 0 0 18 0, 0.0 3,-0.1 0, 0.0 131,-0.1 -0.379 99.8 -2.8 -66.2 136.6 48.4 13.9 -2.3 54 51 A G T 3 S+ 0 0 52 1,-0.2 2,-0.3 -2,-0.1 129,-0.0 0.601 118.8 86.3 63.5 16.6 47.7 12.6 1.3 55 52 A L S < S- 0 0 26 -3,-1.3 2,-0.4 126,-0.1 -3,-0.4 -0.920 73.8-121.5-139.5 160.8 46.1 15.9 2.4 56 53 A V E -c 11 0A 64 -46,-2.5 -44,-2.5 -2,-0.3 2,-0.4 -0.889 28.3-165.1-101.3 139.3 42.8 17.7 2.4 57 54 A T E +c 12 0A 5 -2,-0.4 -9,-3.1 -9,-0.4 2,-0.3 -0.990 15.6 160.4-126.8 135.8 42.8 21.1 0.6 58 55 A A E -cE 13 47A 4 -46,-2.0 -44,-2.7 -2,-0.4 2,-0.5 -0.998 40.3-121.7-153.5 154.1 40.0 23.7 1.0 59 56 A V E -cE 14 46A 1 -13,-2.5 -13,-2.5 -2,-0.3 2,-0.5 -0.845 32.6-159.5 -89.8 130.7 39.1 27.4 0.6 60 57 A Q E -cE 15 45A 2 -46,-2.6 -44,-2.4 -2,-0.5 2,-0.3 -0.973 13.1-131.1-118.3 126.2 37.9 28.8 3.9 61 58 A A E -c 16 0A 19 -17,-2.9 2,-0.4 -2,-0.5 -46,-0.1 -0.584 19.9-145.0 -75.0 127.5 35.8 31.9 4.1 62 59 A L E -c 17 0A 4 -46,-3.2 -44,-2.7 -2,-0.3 -43,-0.2 -0.804 11.5-159.2 -93.5 133.3 37.0 34.5 6.6 63 60 A E S S+ 0 0 151 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.715 83.5 3.5 -78.2 -24.2 34.5 36.6 8.5 64 61 A E S S+ 0 0 165 2,-0.1 -1,-0.2 -3,-0.0 2,-0.1 -0.981 101.0 42.1-154.5 157.3 37.3 39.2 9.1 65 62 A G S S- 0 0 45 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.161 78.4 -54.0 95.5 174.1 41.0 39.8 8.1 66 63 A E - 0 0 153 1,-0.1 -2,-0.1 -50,-0.1 170,-0.1 -0.398 59.7 -84.9 -93.2 162.1 43.1 39.5 5.1 67 64 A A + 0 0 32 168,-0.2 2,-0.3 -2,-0.1 -51,-0.2 -0.295 60.2 138.2 -65.0 146.3 43.7 36.6 2.7 68 65 A R E -B 15 0A 85 -53,-1.9 -53,-2.4 129,-0.1 2,-0.3 -0.937 45.2-110.4-163.2 177.6 46.4 34.0 3.6 69 66 A Y E +B 14 0A 9 -2,-0.3 40,-0.4 -55,-0.2 2,-0.3 -0.858 32.9 178.2-108.1 161.7 47.2 30.3 3.6 70 67 A H E -B 13 0A 0 -57,-1.8 -57,-2.8 -2,-0.3 2,-0.4 -0.978 20.9-129.2-153.0 166.2 47.5 28.2 6.7 71 68 A L E -Bf 12 110A 6 38,-0.9 40,-2.3 -2,-0.3 2,-0.5 -0.902 13.2-142.7-111.8 144.3 48.2 24.6 7.7 72 69 A D E -Bf 11 111A 6 -61,-2.1 -62,-2.4 -2,-0.4 -61,-1.2 -0.939 7.4-151.6-102.3 129.5 46.2 22.4 10.1 73 70 A I E -Bf 9 112A 1 38,-3.3 40,-2.6 -2,-0.5 2,-0.3 -0.913 15.8-149.5 -97.5 112.8 48.1 20.0 12.3 74 71 A E E +Bf 8 113A 0 -66,-2.5 -66,-1.8 -2,-0.7 2,-0.3 -0.681 25.3 168.5 -82.3 134.9 45.8 17.0 13.1 75 72 A T E -Bf 7 114A 1 38,-2.2 40,-0.5 -2,-0.3 3,-0.3 -0.988 46.6-135.7-149.2 154.4 46.3 15.4 16.4 76 73 A D S S+ 0 0 63 -70,-1.4 2,-0.2 -2,-0.3 -69,-0.1 0.418 106.8 40.0 -87.1 -1.2 44.7 12.9 18.8 77 74 A D > - 0 0 59 -71,-0.4 4,-2.5 36,-0.2 -1,-0.2 -0.699 65.1-179.8-147.1 93.0 45.5 15.2 21.7 78 75 A V H > S+ 0 0 31 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.931 84.0 47.7 -60.5 -50.0 44.9 18.9 20.9 79 76 A D H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 114.6 46.7 -59.0 -45.5 45.9 20.3 24.4 80 77 A A H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 113.5 48.9 -65.5 -38.8 49.1 18.2 24.4 81 78 A E H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.899 109.8 49.9 -69.5 -41.5 50.0 19.2 20.8 82 79 A V H X S+ 0 0 6 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.956 111.9 50.6 -58.0 -46.5 49.4 22.9 21.4 83 80 A E H X S+ 0 0 109 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.899 110.2 49.3 -56.2 -44.7 51.7 22.5 24.5 84 81 A R H X S+ 0 0 29 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.913 112.6 46.4 -63.1 -44.1 54.4 20.8 22.5 85 82 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 3,-0.3 0.869 110.5 52.2 -69.9 -35.8 54.3 23.5 19.7 86 83 A V H ><5S+ 0 0 66 -4,-2.7 3,-2.0 1,-0.2 -1,-0.2 0.900 104.4 58.2 -63.8 -39.4 54.4 26.3 22.3 87 84 A G H 3<5S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.797 103.0 53.8 -56.9 -30.2 57.4 24.5 23.8 88 85 A L T 3<5S- 0 0 66 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.369 135.0 -87.4 -86.3 0.9 59.1 24.9 20.3 89 86 A G T < 5S+ 0 0 44 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.389 83.1 135.5 110.6 -2.5 58.4 28.7 20.3 90 87 A A < - 0 0 3 -5,-2.3 2,-0.4 14,-0.1 -1,-0.3 -0.372 43.3-142.4 -70.7 159.0 54.9 28.9 18.9 91 88 A V E -G 103 0A 80 12,-2.2 12,-2.8 -2,-0.1 2,-0.4 -0.992 11.7-124.6-127.1 129.5 52.5 31.3 20.6 92 89 A E E -G 102 0A 80 -2,-0.4 10,-0.3 10,-0.2 2,-0.1 -0.597 31.5-172.5 -76.3 129.3 48.8 30.7 21.0 93 90 A E - 0 0 72 8,-3.0 8,-0.5 -2,-0.4 3,-0.1 -0.390 38.5 -57.9-104.1-177.2 46.6 33.4 19.6 94 91 A S S S- 0 0 103 -2,-0.1 -1,-0.3 1,-0.1 7,-0.1 -0.237 72.0 -79.8 -55.9 152.4 42.8 34.0 19.8 95 92 A S - 0 0 93 5,-0.1 2,-0.4 -3,-0.1 5,-0.2 -0.339 53.9-162.9 -48.9 135.1 40.5 31.3 18.5 96 93 A W B > -I 99 0B 49 3,-2.1 3,-0.9 -3,-0.1 -1,-0.0 -0.962 65.2 -15.9-139.6 112.9 40.4 31.7 14.8 97 94 A Q T 3 S- 0 0 48 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.854 126.1 -57.3 58.5 41.5 37.7 30.2 12.6 98 95 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 3,-0.0 -1,-0.2 0.690 115.3 113.8 64.9 21.5 36.7 27.9 15.5 99 96 A C B < S-I 96 0B 16 -3,-0.9 -3,-2.1 -5,-0.1 2,-0.3 -0.954 77.5-108.9-123.5 144.7 40.3 26.5 15.7 100 97 A R E - H 0 112A 77 12,-0.7 12,-2.2 -2,-0.4 2,-0.4 -0.563 50.1-161.0 -60.5 125.0 43.1 26.6 18.3 101 98 A T E - 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