==== 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 10-MAR-11 2YC1 . 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, . 580 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 35.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 2 0.3 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 . 55 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 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 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 . 6 8 6 4 4 14 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 4 2 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 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 E 0 0 183 0, 0.0 2,-0.5 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 153.5 -25.4 42.5 -55.3 2 2 A V + 0 0 43 24,-0.1 2,-0.4 22,-0.1 24,-0.2 -0.494 360.0 175.0 -66.6 115.6 -22.1 40.8 -56.4 3 3 A Q E -A 25 0A 87 22,-2.8 22,-2.5 -2,-0.5 2,-0.4 -0.966 22.2-165.7-130.3 146.2 -19.4 42.1 -54.1 4 4 A L E -A 24 0A 11 -2,-0.4 105,-0.6 103,-0.3 2,-0.5 -0.986 6.9-165.7-127.0 133.9 -15.7 41.3 -53.5 5 5 A V E -A 23 0A 88 18,-2.1 18,-2.0 -2,-0.4 2,-0.2 -0.950 6.5-157.7-128.5 113.9 -13.7 42.5 -50.5 6 6 A E E +A 22 0A 20 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.542 17.6 164.7 -86.5 151.2 -9.9 42.3 -50.4 7 7 A S E +A 21 0A 59 14,-2.3 14,-2.4 -2,-0.2 104,-0.1 -0.953 41.2 67.0-152.2 170.2 -7.8 42.3 -47.3 8 8 A G + 0 0 38 -2,-0.3 11,-0.4 1,-0.2 -1,-0.1 0.442 64.8 133.0 98.2 1.6 -4.2 41.5 -46.2 9 9 A G + 0 0 27 12,-0.1 2,-0.3 9,-0.1 104,-0.2 -0.128 21.0 113.3 -75.0 178.0 -2.4 44.4 -47.9 10 10 A G E -d 113 0B 29 102,-1.1 104,-2.9 101,-0.1 2,-0.4 -0.973 61.0 -46.4 152.1-165.0 0.1 46.6 -46.2 11 11 A L E +d 114 0B 122 -2,-0.3 2,-0.3 102,-0.2 104,-0.2 -0.870 50.1 159.6-108.4 134.7 3.7 47.7 -46.1 12 12 A V E -d 115 0B 27 102,-2.4 104,-2.4 -2,-0.4 3,-0.1 -0.955 37.6-107.2-142.0 162.3 6.7 45.3 -46.1 13 13 A Q > - 0 0 101 -2,-0.3 3,-2.4 102,-0.2 73,-0.2 -0.496 55.1 -75.5 -81.6 160.7 10.4 45.6 -47.0 14 14 A P T 3 S+ 0 0 64 0, 0.0 73,-0.2 0, 0.0 -1,-0.2 -0.290 125.7 30.5 -48.8 138.5 11.9 44.0 -50.1 15 15 A G T 3 S+ 0 0 9 71,-3.3 70,-0.6 1,-0.2 532,-0.2 0.245 98.5 123.8 88.3 -10.8 12.1 40.3 -49.6 16 16 A G < - 0 0 9 -3,-2.4 70,-2.4 70,-0.3 2,-0.3 0.023 52.7-128.6 -75.9-175.1 9.1 40.4 -47.3 17 17 A S - 0 0 20 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.974 19.6-179.5-138.7 148.0 5.8 38.4 -47.6 18 18 A L E - B 0 83A 25 65,-2.1 65,-3.3 -2,-0.3 2,-0.5 -0.984 17.8-145.0-141.7 152.8 2.1 39.2 -47.5 19 19 A R E - B 0 82A 86 -11,-0.4 2,-0.3 -2,-0.3 63,-0.2 -0.946 16.4-161.3-120.5 112.1 -1.1 37.1 -47.8 20 20 A L E - B 0 81A 0 61,-2.5 61,-2.5 -2,-0.5 2,-0.3 -0.655 7.3-168.5 -87.4 145.0 -4.0 38.7 -49.6 21 21 A S E -AB 7 80A 30 -14,-2.4 -14,-2.3 -2,-0.3 2,-0.4 -0.970 7.2-164.2-131.0 149.4 -7.5 37.4 -49.1 22 22 A a E -AB 6 79A 0 57,-2.5 57,-2.2 -2,-0.3 2,-0.5 -0.995 3.6-161.9-134.3 128.2 -10.7 38.1 -51.0 23 23 A T E -AB 5 78A 65 -18,-2.0 -18,-2.1 -2,-0.4 2,-0.4 -0.933 9.8-153.7-110.7 132.5 -14.2 37.3 -49.8 24 24 A G E +A 4 0A 2 53,-1.9 2,-0.3 -2,-0.5 -20,-0.2 -0.835 15.9 172.7-107.3 142.7 -17.1 37.1 -52.2 25 25 A S E +A 3 0A 53 -22,-2.5 -22,-2.8 -2,-0.4 3,-0.1 -0.963 55.4 40.1-139.7 156.6 -20.7 37.7 -51.4 26 26 A G S S+ 0 0 56 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.596 105.9 56.6 84.4 10.7 -23.9 38.0 -53.5 27 27 A F S S- 0 0 26 -24,-0.1 2,-1.5 -26,-0.1 -1,-0.2 -0.967 99.1 -84.0-160.1 165.7 -23.1 35.2 -56.0 28 28 A T > - 0 0 81 -2,-0.3 3,-2.1 1,-0.2 4,-0.2 -0.637 43.2-166.0 -80.9 93.3 -22.2 31.5 -56.1 29 29 A F G > S+ 0 0 4 -2,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.843 80.4 56.8 -49.4 -45.3 -18.5 31.9 -55.4 30 30 A D G 3 S+ 0 0 72 1,-0.3 24,-0.3 44,-0.2 -1,-0.3 0.584 95.6 67.1 -72.1 -6.4 -17.6 28.3 -56.4 31 31 A N G < S+ 0 0 44 -3,-2.1 2,-0.4 22,-0.1 -1,-0.3 0.414 95.8 67.4 -89.7 0.6 -19.2 28.7 -59.9 32 32 A Y S < S- 0 0 56 -3,-1.6 2,-0.2 -4,-0.2 22,-0.1 -0.945 77.7-120.8-127.7 145.7 -16.6 31.2 -61.1 33 33 A A - 0 0 2 -2,-0.4 66,-2.8 66,-0.1 2,-0.3 -0.510 38.1-150.3 -66.3 145.3 -12.9 31.5 -61.9 34 34 A M E -EF 51 98B 0 17,-2.4 17,-2.5 64,-0.2 2,-0.3 -0.941 13.6-168.5-128.0 148.8 -11.4 34.2 -59.7 35 35 A H E -EF 50 97B 0 62,-2.7 62,-2.6 -2,-0.3 2,-0.4 -0.905 20.7-142.9-138.2 158.4 -8.5 36.5 -60.3 36 36 A W E +EF 49 96B 0 13,-2.7 12,-2.6 -2,-0.3 13,-1.8 -0.985 26.9 169.9-114.7 134.5 -6.0 39.0 -58.8 37 37 A L E -EF 47 95B 0 58,-2.6 58,-2.8 -2,-0.4 2,-0.3 -0.861 14.9-150.2-131.5 170.2 -5.0 42.0 -60.8 38 38 A R E -EF 46 94B 13 8,-2.6 8,-1.8 -2,-0.3 2,-0.4 -0.979 9.6-163.2-145.1 160.9 -3.0 45.1 -59.8 39 39 A Q E -EF 45 93B 15 54,-2.2 54,-2.6 -2,-0.3 6,-0.1 -0.933 19.0-138.2-147.5 111.6 -2.6 48.7 -60.6 40 40 A V > - 0 0 52 4,-0.5 3,-2.9 -2,-0.4 52,-0.1 -0.551 50.3 -90.7 -63.8 131.7 0.3 51.0 -59.7 41 41 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.228 114.6 12.8 -48.1 129.8 -1.3 54.3 -58.5 42 42 A G T 3 S+ 0 0 90 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.442 118.6 88.6 81.7 1.1 -1.7 56.6 -61.6 43 43 A E S < S- 0 0 124 -3,-2.9 -1,-0.3 1,-0.2 176,-0.0 -0.464 76.8 -79.5-123.9-169.7 -0.9 53.7 -64.0 44 44 A G - 0 0 24 -2,-0.1 -4,-0.5 1,-0.1 2,-0.3 -0.029 47.5 -83.9 -87.5-170.4 -2.6 50.9 -65.9 45 45 A L E -E 39 0B 16 173,-0.3 2,-0.4 -6,-0.1 172,-0.3 -0.693 33.7-173.8-100.9 146.9 -3.9 47.4 -65.2 46 46 A E E -E 38 0B 80 -8,-1.8 -8,-2.6 -2,-0.3 2,-0.3 -0.988 23.1-130.4-139.8 126.7 -2.0 44.2 -65.0 47 47 A W E +E 37 0B 24 168,-0.4 -10,-0.3 -2,-0.4 3,-0.1 -0.593 26.7 178.3 -72.4 138.7 -3.4 40.7 -64.5 48 48 A V E - 0 0 1 -12,-2.6 13,-2.9 1,-0.4 2,-0.3 0.822 51.9 -26.0-110.7 -47.6 -1.5 38.8 -61.8 49 49 A S E -EG 36 60B 0 -13,-1.8 -13,-2.7 11,-0.3 -1,-0.4 -0.983 52.0-167.1-167.3 159.6 -2.9 35.4 -61.2 50 50 A G E -EG 35 59B 0 9,-2.1 9,-2.1 -2,-0.3 2,-0.4 -0.992 7.4-156.1-159.0 157.6 -6.1 33.4 -61.6 51 51 A I E -EG 34 58B 0 -17,-2.5 -17,-2.4 -2,-0.3 7,-0.2 -0.996 17.0-136.1-144.1 130.7 -7.8 30.1 -60.6 52 52 A S > - 0 0 0 5,-2.6 3,-1.9 -2,-0.4 -20,-0.1 -0.116 44.6 -67.1 -76.5 175.1 -10.6 28.2 -62.3 53 53 A R G > S+ 0 0 31 189,-0.4 3,-1.7 1,-0.3 4,-0.2 -0.366 126.7 16.4 -52.5 142.6 -13.7 26.5 -60.8 54 54 A S G 3 S- 0 0 61 -24,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.540 119.3 -91.0 68.3 6.6 -12.6 23.6 -58.7 55 55 A S G < S+ 0 0 5 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.730 90.5 138.2 59.8 24.0 -9.0 24.9 -58.6 56 56 A G < + 0 0 3 -3,-1.7 2,-0.4 1,-0.2 322,-0.2 0.688 62.9 33.2 -75.9 -19.5 -8.6 22.8 -61.7 57 57 A D + 0 0 11 -4,-0.2 -5,-2.6 194,-0.1 2,-0.4 -0.990 69.8 177.8-142.6 125.9 -6.6 25.4 -63.8 58 58 A I E +G 51 0B 13 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.983 3.0 168.9-135.0 137.9 -4.1 27.8 -62.2 59 59 A D E -G 50 0B 30 -9,-2.1 -9,-2.1 -2,-0.4 2,-0.3 -0.973 13.1-160.7-150.4 165.1 -1.9 30.5 -63.8 60 60 A Y E -G 49 0B 33 -2,-0.3 -11,-0.3 -11,-0.2 5,-0.1 -0.977 33.3 -98.6-143.0 149.5 0.4 33.4 -63.0 61 61 A A >> - 0 0 16 -13,-2.9 3,-2.0 -2,-0.3 4,-0.9 -0.421 41.6-114.6 -62.4 146.8 1.9 36.4 -64.8 62 62 A D G >4 S+ 0 0 132 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.857 113.4 62.3 -53.9 -37.5 5.5 35.7 -65.7 63 63 A S G 34 S+ 0 0 49 1,-0.2 -1,-0.3 3,-0.0 -15,-0.0 0.595 112.4 34.3 -69.4 -10.7 6.7 38.4 -63.3 64 64 A V G X> S+ 0 0 0 -3,-2.0 4,-2.2 -16,-0.2 3,-1.9 0.396 83.2 127.0-122.5 0.3 5.3 36.7 -60.3 65 65 A K T << S+ 0 0 107 -4,-0.9 4,-0.1 -3,-0.8 -3,-0.0 -0.389 79.6 17.8 -62.4 135.3 5.8 33.0 -61.1 66 66 A G T 34 S+ 0 0 63 2,-0.4 -1,-0.3 -2,-0.1 285,-0.2 0.140 124.4 60.7 90.0 -18.2 7.7 31.1 -58.4 67 67 A R T <4 S+ 0 0 21 -3,-1.9 17,-2.4 1,-0.1 2,-0.4 0.753 96.0 54.8-108.7 -35.4 6.9 33.9 -55.9 68 68 A F E < -C 83 0A 4 -4,-2.2 -2,-0.4 15,-0.2 2,-0.4 -0.816 59.7-164.7-105.3 145.9 3.1 34.0 -55.6 69 69 A T E -C 82 0A 15 13,-2.2 13,-2.8 -2,-0.4 2,-0.3 -0.980 6.0-159.2-132.2 123.3 0.8 31.2 -54.8 70 70 A I E +C 81 0A 0 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.750 19.0 157.6-104.0 143.8 -3.0 31.3 -55.4 71 71 A S E -C 80 0A 11 9,-1.8 9,-3.0 -2,-0.3 2,-0.3 -0.971 21.5-148.1-153.1 164.6 -5.6 29.2 -53.8 72 72 A R E -C 79 0A 7 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.979 7.8-156.2-138.1 152.7 -9.3 29.2 -53.0 73 73 A D E >> -C 78 0A 37 5,-2.8 5,-2.2 -2,-0.3 4,-0.8 -0.919 10.1-171.8-125.8 99.8 -11.5 27.8 -50.2 74 74 A D T >45S+ 0 0 50 -2,-0.5 3,-0.9 1,-0.2 -44,-0.2 0.913 83.1 57.9 -66.0 -40.7 -15.0 27.5 -51.7 75 75 A A T 345S+ 0 0 90 1,-0.3 -1,-0.2 2,-0.1 -46,-0.0 0.880 115.3 37.8 -51.7 -42.2 -16.7 26.6 -48.3 76 76 A K T 345S- 0 0 90 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.533 107.2-128.6 -87.4 -7.3 -15.4 30.0 -47.0 77 77 A K T <<5 + 0 0 106 -3,-0.9 -53,-1.9 -4,-0.8 2,-0.4 0.918 63.2 137.4 58.3 42.8 -16.0 31.7 -50.3 78 78 A T E < -BC 23 73A 20 -5,-2.2 -5,-2.8 -55,-0.2 2,-0.4 -0.921 44.3-161.0-125.8 150.6 -12.4 33.0 -50.2 79 79 A L E -BC 22 72A 0 -57,-2.2 -57,-2.5 -2,-0.4 2,-0.3 -0.943 18.5-164.5-118.6 142.9 -9.6 33.4 -52.6 80 80 A S E -BC 21 71A 13 -9,-3.0 -9,-1.8 -2,-0.4 2,-0.4 -0.946 15.1-164.7-129.7 153.7 -6.0 33.8 -51.3 81 81 A L E -BC 20 70A 0 -61,-2.5 -61,-2.5 -2,-0.3 2,-0.7 -0.902 8.6-158.5-136.5 108.5 -2.7 35.0 -52.7 82 82 A Q E -BC 19 69A 10 -13,-2.8 -13,-2.2 -2,-0.4 2,-0.7 -0.772 14.0-165.1 -81.6 117.7 0.5 34.2 -50.8 83 83 A M E +BC 18 68A 0 -65,-3.3 -65,-2.1 -2,-0.7 3,-0.3 -0.887 12.0 175.0-112.1 108.4 3.0 36.7 -52.0 84 84 A N + 0 0 10 -17,-2.4 -67,-0.2 -2,-0.7 -68,-0.1 -0.634 58.1 23.1-107.2 165.5 6.6 35.8 -51.1 85 85 A S S S- 0 0 40 -70,-0.6 -1,-0.2 264,-0.2 -69,-0.2 0.895 83.5-160.1 50.2 46.7 9.9 37.4 -52.0 86 86 A L - 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