==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING INHIBITOR/IMMUNE SYSTEM 21-FEB-12 4DTG . COMPND 2 MOLECULE: HUMANIZED RECOMBINANT FAB FRAGMENT, FAB 2021, OF . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.A.SVENSSON,J.BREINHOLT,B.O.KROGH,I.HILDEN . 500 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 36.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 57 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 0 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 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 5 6 4 2 4 10 1 0 1 1 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 1 4 2 1 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 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 L D 0 0 143 0, 0.0 2,-0.3 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 156.0 30.6 39.6 9.3 2 2 L I - 0 0 11 98,-0.4 2,-0.5 93,-0.1 93,-0.1 -0.520 360.0-145.2 -68.7 128.5 31.2 43.3 10.4 3 3 L V - 0 0 90 -2,-0.3 23,-1.5 99,-0.0 2,-0.5 -0.775 8.3-159.1-102.0 130.6 32.3 43.5 14.0 4 4 L M E -A 25 0A 7 99,-0.5 2,-0.6 -2,-0.5 101,-0.6 -0.976 5.5-164.1-110.6 118.6 31.0 46.5 16.0 5 5 L T E -A 24 0A 80 19,-2.9 19,-2.5 -2,-0.5 2,-0.4 -0.939 5.2-167.1-113.0 118.8 33.1 47.3 19.1 6 6 L Q E -A 23 0A 9 -2,-0.6 17,-0.2 17,-0.3 99,-0.0 -0.866 14.6-133.2-102.5 137.4 31.5 49.7 21.7 7 7 L T E +A 22 0A 70 15,-1.7 15,-3.1 -2,-0.4 2,-0.1 -0.949 69.6 32.0-140.8 153.2 33.3 51.3 24.5 8 8 L P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.759 64.3-146.1 -75.3 175.6 33.2 51.8 27.3 9 9 L L S S- 0 0 143 1,-0.3 99,-2.8 -2,-0.1 2,-0.3 0.803 82.5 -1.4 -71.1 -28.4 31.3 48.8 28.7 10 10 L S E -d 108 0B 79 97,-0.3 2,-0.3 80,-0.1 -1,-0.3 -0.993 63.7-167.3-161.8 160.1 29.7 51.0 31.2 11 11 L L E -d 109 0B 51 97,-2.1 99,-2.7 -2,-0.3 2,-0.4 -0.983 11.3-151.2-153.4 146.5 29.7 54.5 32.5 12 12 L S E -d 110 0B 42 -2,-0.3 2,-0.4 97,-0.2 99,-0.2 -0.961 22.1-169.0-131.2 122.2 28.5 56.4 35.4 13 13 L V E -d 111 0B 10 97,-2.7 99,-2.8 -2,-0.4 6,-0.1 -0.838 24.6-120.0-123.4 133.3 27.6 60.0 34.9 14 14 L T > - 0 0 68 -2,-0.4 3,-2.3 97,-0.2 69,-0.4 -0.515 50.6 -94.5 -63.1 133.6 26.7 62.9 37.3 15 15 L P T 3 S+ 0 0 66 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 -0.308 112.1 18.2 -53.6 137.7 23.1 64.2 36.5 16 16 L G T 3 S+ 0 0 24 67,-2.6 68,-0.1 1,-0.3 -2,-0.1 0.273 101.9 111.0 75.5 -7.7 23.2 67.2 34.1 17 17 L Q S < S- 0 0 110 -3,-2.3 66,-2.9 66,-0.2 -1,-0.3 -0.645 72.6-103.8 -93.1 157.1 26.8 66.3 32.9 18 18 L P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.367 30.1-161.1 -76.0 160.8 27.4 65.0 29.4 19 19 L A E - B 0 80A 11 61,-2.1 61,-2.2 -2,-0.1 2,-0.3 -0.964 1.7-161.0-139.2 152.5 28.2 61.4 28.4 20 20 L S E - B 0 79A 64 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.992 3.2-169.5-136.7 140.0 29.7 59.9 25.3 21 21 L I E - B 0 78A 4 57,-2.3 57,-2.7 -2,-0.3 2,-0.4 -0.975 14.5-146.4-132.7 129.1 29.6 56.3 23.9 22 22 L S E -AB 7 77A 24 -15,-3.1 -15,-1.7 -2,-0.4 2,-0.4 -0.803 11.3-171.8 -99.3 142.6 31.9 55.1 21.0 23 23 L a E -AB 6 76A 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.5 -0.999 6.6-172.0-131.3 124.9 31.0 52.5 18.3 24 24 L K E -AB 5 75A 104 -19,-2.5 -19,-2.9 -2,-0.4 2,-0.3 -0.958 8.0-153.2-120.1 133.5 33.7 51.4 16.0 25 25 L S E -A 4 0A 11 49,-2.1 -21,-0.2 -2,-0.5 4,-0.1 -0.824 20.0-130.0-103.4 151.4 33.0 49.1 12.9 26 26 L S S S+ 0 0 69 -23,-1.5 2,-0.3 -2,-0.3 -22,-0.1 0.675 93.8 23.6 -82.0 -14.8 35.6 46.8 11.3 27 27 L Q S S- 0 0 110 -24,-0.2 -1,-0.1 46,-0.1 -25,-0.0 -0.968 103.7 -76.9-136.0 160.0 34.9 48.2 7.9 28 28 L S - 0 0 55 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.228 29.1-153.4 -50.7 135.9 33.6 51.5 6.6 29 29 L L + 0 0 0 44,-2.8 8,-1.0 -4,-0.1 2,-0.2 0.393 51.4 129.5 -90.2 1.8 29.9 51.9 6.8 30 30 L L B -J 36 0C 100 6,-0.2 6,-0.2 43,-0.1 2,-0.2 -0.382 48.6-147.8 -64.5 118.4 29.7 54.3 3.9 31 31 L E > - 0 0 18 4,-3.1 3,-2.1 -2,-0.2 -2,-0.1 -0.601 24.0-108.2 -92.7 160.4 27.0 53.1 1.5 32 32 L S T 3 S+ 0 0 65 1,-0.3 459,-0.2 -2,-0.2 -1,-0.1 0.619 119.2 58.1 -64.7 -10.2 26.9 53.5 -2.4 33 33 L D T 3 S- 0 0 26 2,-0.3 -1,-0.3 457,-0.1 3,-0.1 0.288 121.3-108.0 -92.5 5.7 24.0 56.1 -2.0 34 34 L G S < S+ 0 0 59 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.483 85.0 113.3 79.6 2.9 26.4 58.3 0.1 35 35 L K - 0 0 70 -5,-0.0 -4,-3.1 -6,-0.0 2,-0.5 -0.700 62.0-131.9-102.6 167.9 24.6 57.6 3.4 36 36 L T B -J 30 0C 18 -2,-0.3 2,-2.1 -6,-0.2 -6,-0.2 -0.942 7.3-145.7-125.7 117.5 25.8 55.7 6.3 37 37 L Y + 0 0 0 -8,-1.0 59,-3.0 -2,-0.5 2,-0.5 -0.341 47.5 134.6 -95.5 76.0 23.7 53.0 7.9 38 38 L L E -E 95 0B 0 -2,-2.1 18,-3.1 57,-0.2 2,-0.3 -0.969 29.2-176.3-127.2 127.5 24.6 53.4 11.6 39 39 L N E -E 94 0B 0 55,-2.5 55,-2.0 -2,-0.5 2,-0.4 -0.836 17.2-142.8-132.7 150.3 21.9 53.3 14.3 40 40 L W E -EF 93 53B 0 13,-2.5 12,-3.3 -2,-0.3 13,-1.6 -0.985 16.9-171.1-120.7 128.0 21.6 53.7 18.1 41 41 L Y E -EF 92 51B 0 51,-3.2 51,-1.8 -2,-0.4 2,-0.5 -0.865 10.8-150.5-112.2 148.5 19.3 51.9 20.3 42 42 L L E -EF 91 50B 3 8,-2.9 8,-2.0 -2,-0.3 2,-0.8 -0.968 1.9-164.1-116.2 124.6 18.3 52.2 23.9 43 43 L Q E -E 90 0B 28 47,-3.4 47,-2.1 -2,-0.5 3,-0.1 -0.840 17.4-162.4-103.5 105.3 17.2 49.3 26.1 44 44 L K > - 0 0 42 -2,-0.8 3,-2.1 4,-0.5 45,-0.2 -0.385 41.7 -70.9 -78.7 154.3 15.6 50.8 29.2 45 45 L P T 3 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.265 121.3 3.2 -45.0 121.2 15.1 48.7 32.4 46 46 L G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.581 115.5 99.3 76.1 8.9 12.4 46.0 31.7 47 47 L Q S < S- 0 0 89 -3,-2.1 -1,-0.2 3,-0.0 3,-0.1 -0.862 74.5-109.8-126.2 161.6 11.9 47.1 28.1 48 48 L S - 0 0 7 -2,-0.3 -4,-0.5 283,-0.2 -6,-0.1 -0.443 57.1 -75.1 -83.7 158.1 13.0 45.9 24.7 49 49 L P - 0 0 1 0, 0.0 282,-0.5 0, 0.0 2,-0.4 -0.296 50.8-158.9 -51.1 142.4 15.6 48.0 22.7 50 50 L Q E -F 42 0B 68 -8,-2.0 -8,-2.9 280,-0.1 2,-0.2 -0.960 23.0-104.5-129.6 142.6 14.0 51.2 21.1 51 51 L L E +F 41 0B 8 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.498 41.3 164.5 -69.0 128.7 15.4 53.2 18.1 52 52 L L E + 0 0 5 -12,-3.3 8,-2.5 1,-0.4 2,-0.3 0.671 65.2 7.1-104.9 -47.4 17.0 56.5 19.2 53 53 L I E -FG 40 59B 0 -13,-1.6 -13,-2.5 6,-0.3 -1,-0.4 -0.984 59.1-175.6-146.1 132.1 19.1 57.6 16.0 54 54 L Y E > + G 0 58B 34 4,-2.1 4,-2.7 -2,-0.3 3,-0.4 -0.879 68.8 31.7-127.4 168.5 19.4 56.3 12.5 55 55 L L T 4 S- 0 0 27 -2,-0.3 2,-2.1 270,-0.2 -16,-0.2 0.847 124.5 -76.2 43.6 46.1 21.7 57.4 9.5 56 56 L V T 4 S+ 0 0 15 -18,-3.1 -1,-0.2 1,-0.2 21,-0.1 -0.233 127.1 24.7 75.2 -44.2 24.4 58.4 12.1 57 57 L S T 4 S+ 0 0 60 -2,-2.1 2,-0.6 -3,-0.4 12,-0.3 0.425 86.7 115.2-139.0 1.3 22.9 61.6 13.3 58 58 L I E < -G 54 0B 75 -4,-2.7 -4,-2.1 10,-0.1 2,-0.2 -0.626 55.1-140.3 -89.6 114.0 19.0 61.5 12.7 59 59 L L E -G 53 0B 58 -2,-0.6 -6,-0.3 -6,-0.2 3,-0.1 -0.489 15.8-126.2 -65.7 132.7 16.8 61.6 15.8 60 60 L D > - 0 0 31 -8,-2.5 3,-2.1 -2,-0.2 -1,-0.1 -0.432 46.0 -74.1 -68.6 154.9 13.7 59.4 15.8 61 61 L S T 3 S+ 0 0 110 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.217 119.1 12.9 -41.4 124.2 10.4 60.9 16.6 62 62 L G T 3 S+ 0 0 86 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.379 87.0 134.2 88.6 -8.9 10.1 61.7 20.2 63 63 L V < - 0 0 22 -3,-2.1 -1,-0.3 -11,-0.1 -4,-0.1 -0.713 63.7-109.1 -73.9 129.2 13.7 61.3 21.2 64 64 L P > - 0 0 44 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.168 19.0-122.6 -61.9 150.1 14.8 64.2 23.4 65 65 L D T 3 S+ 0 0 140 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.590 100.3 86.3 -83.1 -1.1 17.2 66.6 21.7 66 66 L R T 3 S+ 0 0 19 14,-0.1 15,-2.4 16,-0.1 2,-0.4 0.746 80.9 78.1 -51.6 -31.0 19.7 66.0 24.5 67 67 L F E < +C 80 0A 6 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.737 58.9 168.4 -89.1 139.6 20.9 63.1 22.3 68 68 L S E -C 79 0A 56 11,-2.5 11,-3.2 -2,-0.4 2,-0.3 -0.956 18.6-151.1-146.5 155.8 23.0 63.5 19.2 69 69 L G E +C 78 0A 11 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.974 21.2 162.7-118.4 142.6 25.0 61.2 16.9 70 70 L S E +C 77 0A 51 7,-2.1 7,-3.0 -2,-0.3 2,-0.2 -0.915 20.6 76.2-150.7 178.0 28.1 61.9 14.8 71 71 L G E -C 76 0A 34 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.548 42.3-141.2 110.0 179.5 31.0 60.2 12.9 72 72 L S E > +C 75 0A 85 3,-1.8 3,-1.9 -2,-0.2 2,-0.9 -0.956 60.4 17.6-168.3 162.2 31.7 58.5 9.7 73 73 L G T 3 S- 0 0 20 -2,-0.3 -44,-2.8 1,-0.3 -46,-0.1 -0.577 131.0 -19.6 77.3-103.4 33.5 55.6 7.9 74 74 L T T 3 S+ 0 0 64 -2,-0.9 -49,-2.1 -46,-0.2 2,-0.5 0.331 122.5 76.9-113.7 2.0 34.4 53.4 10.9 75 75 L D E < +BC 24 72A 65 -3,-1.9 -3,-1.8 -51,-0.2 2,-0.3 -0.962 53.3 171.9-131.9 118.9 34.2 55.7 13.9 76 76 L F E -BC 23 71A 0 -53,-2.8 -53,-2.7 -2,-0.5 2,-0.4 -0.958 12.6-160.1-132.8 154.9 30.8 56.8 15.6 77 77 L T E -BC 22 70A 30 -7,-3.0 -7,-2.1 -2,-0.3 2,-0.5 -0.989 8.4-160.3-148.3 116.1 29.8 58.7 18.7 78 78 L L E -BC 21 69A 1 -57,-2.7 -57,-2.3 -2,-0.4 2,-0.4 -0.916 21.1-168.9 -91.2 128.0 26.6 58.9 20.7 79 79 L K E -BC 20 68A 109 -11,-3.2 -11,-2.5 -2,-0.5 2,-0.5 -0.940 18.4-164.7-118.9 140.6 26.5 62.1 22.9 80 80 L I E -BC 19 67A 3 -61,-2.2 -61,-2.1 -2,-0.4 3,-0.3 -0.998 13.0-157.5-117.1 113.6 24.0 63.0 25.7 81 81 L S S S+ 0 0 70 -15,-2.4 2,-0.3 -2,-0.5 -1,-0.1 0.915 81.6 6.3 -62.5 -44.7 24.5 66.7 26.4 82 82 L R S S- 0 0 116 -64,-0.1 -1,-0.3 -16,-0.1 -65,-0.1 -0.895 86.4-132.3-140.5 111.2 23.1 66.7 30.0 83 83 L V - 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