==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/TOXIN 09-MAR-11 2YBR . COMPND 2 MOLECULE: SINGLE CHAIN ANTIBODY FRAGMENT 9004G; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.C.CANUL-TEC,L.RIANO-UMBARILA,E.RUDINO-PINERA,B.BECERRIL, . 875 9 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 309 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 81 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 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 PARALLEL BRIDGES PER LADDER . 11 10 9 6 8 19 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 . 0 0 3 6 2 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 2 A V 0 0 103 0, 0.0 2,-0.3 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 122.4 -32.0 -0.0 50.0 2 3 A Q E -A 24 0A 50 22,-2.5 22,-1.9 103,-0.1 2,-0.4 -0.996 360.0-156.3-149.4 143.6 -32.2 3.6 49.0 3 4 A L E -A 23 0A 5 -2,-0.3 105,-0.4 103,-0.3 2,-0.4 -0.965 10.2-169.7-122.4 143.9 -30.2 6.9 49.1 4 5 A V E -A 22 0A 20 18,-1.6 18,-3.0 -2,-0.4 2,-0.3 -0.997 3.5-167.8-136.7 131.9 -31.6 10.4 49.0 5 6 A E E +A 21 0A 3 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.855 10.3 165.5-124.5 154.4 -29.6 13.6 48.5 6 7 A S E +A 20 0A 55 14,-2.1 14,-2.0 -2,-0.3 104,-0.1 -0.944 39.1 73.2-157.1 167.2 -30.5 17.3 48.9 7 8 A G + 0 0 41 -2,-0.3 11,-0.3 1,-0.3 -1,-0.1 0.448 60.7 134.9 98.6 2.2 -29.2 20.8 49.1 8 9 A G + 0 0 27 12,-0.1 2,-0.3 9,-0.1 -1,-0.3 -0.209 21.4 106.3 -72.4 170.9 -28.1 21.5 45.6 9 10 A G E -e 112 0B 29 102,-0.8 104,-2.9 101,-0.1 2,-0.3 -0.996 62.9 -24.7 156.6-156.6 -28.8 24.6 43.6 10 11 A L E +e 113 0B 135 -2,-0.3 2,-0.3 102,-0.2 104,-0.2 -0.632 55.2 160.0 -94.0 149.7 -27.4 27.8 42.2 11 12 A V E -e 114 0B 6 102,-1.8 104,-1.5 -2,-0.3 6,-0.1 -0.983 32.9-114.0-162.6 162.7 -24.3 29.6 43.6 12 13 A Q > - 0 0 115 -2,-0.3 3,-2.9 102,-0.2 73,-0.2 -0.768 48.3 -81.4-109.2 151.3 -21.6 32.1 42.7 13 14 A P T 3 S+ 0 0 71 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.240 122.4 23.0 -55.7 131.4 -17.8 31.5 42.3 14 15 A G T 3 S+ 0 0 54 71,-1.9 70,-0.6 1,-0.3 72,-0.1 0.335 101.4 127.4 93.0 -5.4 -16.3 31.5 45.8 15 16 A G < - 0 0 6 -3,-2.9 70,-1.9 68,-0.2 2,-0.3 -0.140 53.3-124.0 -77.8 176.2 -19.6 30.7 47.3 16 17 A S + 0 0 70 67,-0.2 2,-0.3 68,-0.1 67,-0.2 -0.930 24.1 174.9-127.5 148.9 -20.6 27.8 49.7 17 18 A L E - B 0 82A 37 65,-2.4 65,-3.3 -2,-0.3 2,-0.5 -0.988 16.8-149.0-152.7 141.7 -23.1 25.0 49.6 18 19 A R E - B 0 81A 132 -2,-0.3 63,-0.2 -11,-0.3 2,-0.2 -0.960 13.0-163.4-120.7 115.7 -23.8 22.1 51.9 19 20 A L E - B 0 80A 0 61,-2.5 61,-2.2 -2,-0.5 2,-0.3 -0.597 4.8-163.6 -91.4 158.8 -25.2 18.8 50.5 20 21 A S E -AB 6 79A 34 -14,-2.0 -14,-2.1 59,-0.2 2,-0.4 -0.998 5.7-163.7-145.7 143.7 -26.8 16.1 52.6 21 22 A a E -AB 5 78A 0 57,-2.6 57,-2.4 -2,-0.3 2,-0.5 -0.992 3.9-159.8-132.2 137.7 -27.6 12.4 52.0 22 23 A T E -AB 4 77A 63 -18,-3.0 -18,-1.6 -2,-0.4 2,-0.3 -0.964 8.5-153.8-123.2 127.4 -29.9 10.2 53.9 23 24 A G E +A 3 0A 2 53,-2.4 2,-0.3 -2,-0.5 -20,-0.2 -0.734 15.1 172.8-102.9 148.0 -29.8 6.4 53.9 24 25 A S E +A 2 0A 39 -22,-1.9 -22,-2.5 -2,-0.3 3,-0.1 -0.989 53.9 41.1-148.0 148.3 -32.5 3.9 54.5 25 26 A G S S+ 0 0 62 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.562 104.1 55.5 95.9 12.0 -32.9 0.1 54.2 26 27 A F S S- 0 0 26 -24,-0.1 2,-1.6 -25,-0.0 -1,-0.2 -0.971 97.7 -80.6-164.6 169.1 -29.6 -0.9 55.7 27 28 A T > - 0 0 82 -2,-0.3 3,-2.5 1,-0.2 4,-0.3 -0.609 38.5-166.1 -86.1 85.8 -27.4 -0.5 58.7 28 29 A F G > S+ 0 0 4 -2,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.761 81.8 65.5 -40.1 -38.4 -25.9 2.9 57.9 29 30 A D G 3 S+ 0 0 81 1,-0.2 24,-0.4 44,-0.2 -1,-0.3 0.817 96.0 56.1 -52.3 -39.9 -23.2 2.3 60.7 30 31 A N G < S+ 0 0 50 -3,-2.5 2,-0.4 22,-0.1 -1,-0.2 0.451 96.2 76.7 -82.4 -2.3 -21.6 -0.6 58.8 31 32 A Y S < S- 0 0 51 -3,-1.3 2,-0.2 -4,-0.3 68,-0.1 -0.902 70.1-128.5-123.4 138.8 -20.8 1.1 55.5 32 33 A A - 0 0 3 -2,-0.4 66,-2.8 66,-0.1 2,-0.3 -0.546 35.0-149.7 -67.9 145.1 -18.3 3.5 54.0 33 34 A M E -FG 50 97B 0 17,-2.2 17,-2.1 64,-0.2 2,-0.3 -0.916 13.3-166.8-124.5 149.6 -20.1 6.4 52.2 34 35 A H E -FG 49 96B 0 62,-2.7 62,-2.4 -2,-0.3 2,-0.5 -0.935 21.0-142.9-138.3 156.1 -19.1 8.5 49.2 35 36 A W E +FG 48 95B 0 13,-3.0 12,-2.4 -2,-0.3 13,-1.7 -0.980 27.4 171.5-113.0 127.3 -19.8 11.6 47.1 36 37 A L E -FG 46 94B 0 58,-3.0 58,-3.5 -2,-0.5 2,-0.3 -0.855 11.6-157.6-125.1 165.6 -19.3 11.3 43.4 37 38 A R E -FG 45 93B 11 8,-2.3 8,-1.5 -2,-0.3 2,-0.3 -0.966 9.2-157.9-145.9 163.0 -20.2 13.8 40.6 38 39 A Q E -FG 44 92B 17 54,-2.2 54,-2.4 -2,-0.3 6,-0.1 -0.883 15.7-140.3-149.4 112.0 -20.9 14.0 36.9 39 40 A V > - 0 0 45 4,-0.6 3,-3.0 -2,-0.3 52,-0.2 -0.565 50.8 -92.1 -66.0 123.6 -20.7 17.0 34.5 40 41 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.076 111.7 8.4 -40.6 125.9 -23.8 16.8 32.2 41 42 A G T 3 S+ 0 0 92 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.374 119.0 90.1 79.9 -4.5 -22.9 14.8 29.1 42 43 A E S < S- 0 0 122 -3,-3.0 -1,-0.3 1,-0.2 2,-0.0 -0.427 77.2 -86.2-112.5-170.2 -19.5 13.8 30.6 43 44 A G - 0 0 18 -2,-0.1 -4,-0.6 1,-0.1 2,-0.2 -0.095 45.9 -76.7 -94.2-171.8 -18.1 11.0 32.7 44 45 A L E -F 38 0B 14 177,-0.3 2,-0.3 -6,-0.1 176,-0.3 -0.540 34.3-175.2 -93.1 151.7 -17.8 10.1 36.4 45 46 A E E -F 37 0B 76 -8,-1.5 -8,-2.3 -2,-0.2 2,-0.3 -0.981 23.9-128.8-145.2 129.0 -15.4 11.4 39.0 46 47 A W E +F 36 0B 10 172,-0.4 -10,-0.2 -2,-0.3 3,-0.1 -0.617 26.7 177.5 -74.6 135.3 -15.0 10.3 42.6 47 48 A V E - 0 0 0 -12,-2.4 13,-2.9 1,-0.3 2,-0.3 0.843 50.4 -30.0-104.6 -50.1 -15.1 13.3 45.0 48 49 A S E -FH 35 59B 0 -13,-1.7 -13,-3.0 11,-0.2 -1,-0.3 -0.987 48.7-168.5-171.5 157.5 -14.8 12.1 48.6 49 50 A G E -FH 34 58B 0 9,-1.8 9,-1.8 -2,-0.3 2,-0.3 -0.989 8.6-153.5-159.2 161.1 -15.5 9.4 51.1 50 51 A I E -FH 33 57B 2 -17,-2.1 -17,-2.2 -2,-0.3 7,-0.2 -0.995 17.1-137.9-142.9 140.0 -15.6 8.4 54.8 51 52 A S > - 0 0 0 5,-2.3 3,-1.6 -2,-0.3 -20,-0.1 -0.144 44.8 -59.8 -88.6-176.6 -15.2 5.0 56.6 52 53 A R G > S+ 0 0 43 193,-0.4 3,-1.7 1,-0.3 4,-0.2 -0.366 125.8 11.9 -57.6 145.6 -17.0 3.3 59.5 53 54 A S G 3 S- 0 0 92 -24,-0.4 -1,-0.3 1,-0.3 -23,-0.1 0.641 119.4 -88.1 58.0 14.8 -16.8 5.3 62.7 54 55 A S G < S+ 0 0 54 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.1 0.768 91.7 136.0 60.7 26.7 -15.4 8.3 60.7 55 56 A G < + 0 0 24 -3,-1.7 2,-0.4 1,-0.2 199,-0.1 0.650 62.3 35.9 -86.3 -18.1 -11.9 6.8 61.1 56 57 A D + 0 0 10 -4,-0.2 -5,-2.3 198,-0.1 2,-0.3 -0.997 66.2 172.6-137.4 134.4 -10.7 7.3 57.6 57 58 A I E +H 50 0B 52 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.975 0.6 170.7-137.6 148.3 -11.4 10.2 55.2 58 59 A D E -H 49 0B 26 -9,-1.8 -9,-1.8 -2,-0.3 2,-0.3 -0.993 12.5-156.6-154.0 162.0 -10.1 11.3 51.8 59 60 A Y E -H 48 0B 38 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.972 31.5-100.6-136.2 150.6 -10.8 13.7 49.0 60 61 A A >> - 0 0 9 -13,-2.9 3,-2.1 -2,-0.3 4,-1.0 -0.434 41.8-114.8 -60.4 142.9 -10.0 14.0 45.3 61 62 A D G >4 S+ 0 0 90 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.860 112.7 61.4 -50.6 -42.0 -7.0 16.3 44.7 62 63 A S G 34 S+ 0 0 50 1,-0.2 -1,-0.3 3,-0.0 -15,-0.0 0.601 115.2 33.7 -64.0 -6.1 -9.1 18.9 42.8 63 64 A V G X> S+ 0 0 0 -3,-2.1 4,-2.1 -16,-0.1 3,-1.5 0.452 81.4 129.0-131.5 -11.4 -11.2 19.4 45.9 64 65 A K B << S+c 67 0A 121 -4,-1.0 4,-0.1 -3,-0.7 -3,-0.0 -0.332 81.9 13.0 -58.8 120.7 -8.8 18.9 48.8 65 66 A G T 34 S+ 0 0 76 2,-0.5 -1,-0.3 -2,-0.2 -3,-0.0 -0.028 121.8 65.5 102.3 -29.3 -9.0 21.8 51.3 66 67 A R T <4 S+ 0 0 20 -3,-1.5 17,-1.2 17,-0.1 2,-0.3 0.808 97.5 51.9 -93.6 -35.1 -12.2 23.3 49.8 67 68 A F E < -cD 64 82A 1 -4,-2.1 -2,-0.5 15,-0.2 2,-0.4 -0.749 60.8-163.9-103.9 151.2 -14.6 20.4 50.6 68 69 A T E - D 0 81A 76 13,-1.9 13,-2.5 -2,-0.3 2,-0.2 -0.891 5.8-162.0-138.5 112.9 -15.3 18.7 54.0 69 70 A I E + D 0 80A 4 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.496 18.8 159.3 -86.1 153.1 -17.2 15.4 54.2 70 71 A S E - D 0 79A 45 9,-1.6 9,-3.4 -2,-0.2 2,-0.3 -0.982 21.3-145.1-165.8 164.8 -18.8 14.1 57.5 71 72 A R E - D 0 78A 24 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.943 9.2-158.8-137.9 160.2 -21.4 11.7 58.8 72 73 A D E >> - D 0 77A 66 5,-2.4 5,-2.0 -2,-0.3 4,-0.8 -0.914 9.3-171.5-137.7 105.3 -23.9 11.3 61.6 73 74 A D T 45S+ 0 0 44 -2,-0.4 -44,-0.2 1,-0.2 -45,-0.1 0.800 83.6 57.2 -78.5 -27.5 -24.8 7.7 62.2 74 75 A A T 45S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 -46,-0.0 0.891 115.1 38.6 -63.0 -40.8 -27.6 8.3 64.6 75 76 A K T 45S- 0 0 154 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.538 106.5-128.6 -89.0 -7.4 -29.4 10.4 62.0 76 77 A K T <5 + 0 0 99 -4,-0.8 -53,-2.4 1,-0.2 2,-0.3 0.886 63.6 133.3 61.0 42.1 -28.3 8.1 59.2 77 78 A T E < -BD 22 72A 23 -5,-2.0 -5,-2.4 -55,-0.2 2,-0.4 -0.896 45.4-157.7-127.3 154.6 -26.9 11.0 57.2 78 79 A L E -BD 21 71A 0 -57,-2.4 -57,-2.6 -2,-0.3 2,-0.3 -0.987 18.3-157.8-128.2 137.9 -23.8 12.0 55.2 79 80 A S E -BD 20 70A 12 -9,-3.4 -9,-1.6 -2,-0.4 2,-0.4 -0.834 14.6-163.7-120.4 154.9 -22.8 15.6 54.5 80 81 A L E -BD 19 69A 0 -61,-2.2 -61,-2.5 -2,-0.3 2,-0.8 -0.879 8.7-159.1-136.6 108.2 -20.6 17.5 52.1 81 82 A Q E -BD 18 68A 44 -13,-2.5 -13,-1.9 -2,-0.4 2,-0.6 -0.744 14.2-162.5 -84.5 111.0 -19.5 21.1 52.9 82 83 A M E +BD 17 67A 0 -65,-3.3 -65,-2.4 -2,-0.8 2,-0.2 -0.853 14.9 170.8-103.8 119.6 -18.6 22.8 49.7 83 84 A N + 0 0 57 -17,-1.2 -68,-0.2 -2,-0.6 -67,-0.2 -0.760 54.3 18.9-122.6 166.4 -16.5 26.0 49.9 84 85 A S S S- 0 0 69 -70,-0.6 -1,-0.2 -2,-0.2 -68,-0.1 0.845 84.6-157.1 43.1 48.8 -14.6 28.3 47.5 85 86 A L - 0 0 5 -70,-1.9 -71,-1.9 -73,-0.2 2,-0.3 -0.045 13.7-169.4 -60.6 154.3 -16.7 26.9 44.5 86 87 A R > - 0 0 120 -73,-0.2 3,-0.9 -72,-0.1 28,-0.1 -0.820 40.5 -97.0-134.6 173.6 -15.5 27.1 40.9 87 88 A A G > S+ 0 0 53 -2,-0.3 3,-1.6 1,-0.2 27,-0.3 0.859 119.3 63.6 -61.9 -37.5 -17.0 26.5 37.5 88 89 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.2 -49,-0.0 -3,-0.0 0.790 89.2 68.0 -55.5 -30.6 -15.5 23.0 37.5 89 90 A D G < S+ 0 0 1 -3,-0.9 2,-0.8 -50,-0.0 -1,-0.3 0.440 70.3 117.1 -75.6 3.7 -17.7 22.0 40.4 90 91 A T < + 0 0 33 -3,-1.6 2,-0.3 24,-0.1 23,-0.2 -0.633 46.9 101.9 -77.4 111.2 -20.8 22.3 38.2 91 92 A A E S- I 0 112B 0 21,-1.3 21,-2.0 -2,-0.8 2,-0.5 -0.981 78.9 -79.0-172.9 162.3 -22.2 18.8 38.1 92 93 A V E -GI 38 111B 34 -54,-2.4 -54,-2.2 -2,-0.3 2,-0.6 -0.733 50.3-144.3 -74.1 128.0 -24.9 16.3 39.3 93 94 A Y E -GI 37 110B 0 17,-2.6 17,-1.8 -2,-0.5 2,-0.4 -0.870 14.4-161.2-103.7 121.7 -23.6 15.2 42.8 94 95 A Y E -G 36 0B 12 -58,-3.5 -58,-3.0 -2,-0.6 2,-0.4 -0.841 13.2-151.3-106.8 140.5 -24.3 11.6 43.8 95 96 A a E +G 35 0B 0 -2,-0.4 12,-2.4 -60,-0.2 2,-0.3 -0.836 30.1 178.4 -95.3 138.3 -24.2 10.1 47.2 96 97 A A E -GJ 34 106B 0 -62,-2.4 -62,-2.7 -2,-0.4 2,-0.4 -0.994 29.7-116.3-144.2 155.4 -23.2 6.4 47.0 97 98 A R E -GJ 33 105B 25 8,-2.6 7,-1.4 -2,-0.3 8,-0.8 -0.772 36.3-115.4 -92.4 132.7 -22.6 3.4 49.2 98 99 A G E - 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