==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 14-MAR-13 4JN1 . COMPND 2 MOLECULE: ANTI-DABIGATRAN FAB1, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.SCHIELE,H.NAR . 444 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 179 40.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 40 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 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 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 4 7 5 3 5 7 0 0 2 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 . 0 0 5 0 1 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 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 H Q 0 0 220 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.9 1.5 25.1 -34.1 2 3 H V - 0 0 28 95,-0.1 2,-0.4 110,-0.0 24,-0.2 -0.939 360.0-162.9-118.1 136.7 3.8 23.5 -31.5 3 4 H Q E -A 25 0A 126 22,-2.3 22,-3.0 -2,-0.4 2,-0.5 -0.989 5.6-164.0-125.5 136.4 3.1 20.1 -29.9 4 5 H L E -A 24 0A 8 -2,-0.4 110,-0.6 108,-0.3 2,-0.5 -0.986 6.9-166.8-121.7 120.2 4.6 18.6 -26.7 5 6 H Q E -A 23 0A 100 18,-2.2 18,-2.2 -2,-0.5 2,-0.3 -0.941 7.0-162.5-110.2 126.5 4.4 14.9 -26.1 6 7 H E E -A 22 0A 6 -2,-0.5 16,-0.2 16,-0.2 108,-0.0 -0.792 24.5-100.8-108.3 156.3 5.1 13.4 -22.7 7 8 H S - 0 0 37 14,-2.1 -1,-0.1 -2,-0.3 108,-0.0 -0.152 54.7 -78.2 -68.3 162.7 5.9 9.9 -21.6 8 9 H G - 0 0 49 1,-0.1 -1,-0.1 108,-0.1 108,-0.1 -0.139 44.3-101.8 -67.3 157.6 3.2 7.7 -20.0 9 10 H P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 109,-0.2 -0.341 57.1 116.9 -77.8 158.6 1.8 7.8 -16.4 10 11 H G E -d 118 0B 19 107,-1.3 109,-2.3 147,-0.1 2,-0.2 -0.990 51.5 -45.6 173.3-167.1 2.7 5.2 -13.8 11 12 H L E -d 119 0B 48 -2,-0.3 2,-0.4 107,-0.2 109,-0.2 -0.640 27.0-173.6 -95.9 150.4 4.3 4.3 -10.4 12 13 H V E -d 120 0B 20 107,-1.9 109,-2.1 -2,-0.2 6,-0.1 -0.990 28.8-125.2-135.4 131.4 7.5 5.3 -8.7 13 14 H K > - 0 0 98 -2,-0.4 3,-1.9 107,-0.2 72,-0.3 -0.513 39.5 -91.8 -75.1 144.9 8.5 3.6 -5.4 14 15 H P T 3 S+ 0 0 59 0, 0.0 72,-0.2 0, 0.0 -1,-0.1 -0.284 114.2 21.2 -56.6 144.6 9.2 6.0 -2.5 15 16 H S T 3 S+ 0 0 89 70,-3.1 69,-0.8 1,-0.3 71,-0.1 0.129 107.9 104.9 79.7 -14.4 13.0 6.9 -2.2 16 17 H E S < S- 0 0 106 -3,-1.9 69,-2.1 68,-0.2 2,-0.5 -0.114 78.7 -88.1 -86.3-176.4 13.4 6.0 -5.9 17 18 H T - 0 0 72 66,-0.2 2,-0.3 67,-0.2 66,-0.2 -0.895 25.2-146.0-106.3 124.8 13.8 8.2 -9.0 18 19 H L E - B 0 82A 1 64,-2.6 64,-2.4 -2,-0.5 2,-0.4 -0.651 21.5-170.4 -78.3 133.9 10.9 9.6 -11.1 19 20 H S E + B 0 81A 65 -2,-0.3 2,-0.3 62,-0.2 62,-0.2 -0.993 9.9 168.4-135.6 125.5 11.9 9.8 -14.8 20 21 H L E - B 0 80A 4 60,-2.6 60,-2.7 -2,-0.4 2,-0.3 -0.959 17.4-150.2-133.1 152.2 9.8 11.6 -17.5 21 22 H T E - B 0 79A 43 -2,-0.3 -14,-2.1 58,-0.2 2,-0.4 -0.932 5.8-167.3-124.5 151.5 10.4 12.6 -21.1 22 23 H a E -AB 6 78A 0 56,-2.5 56,-2.7 -2,-0.3 2,-0.5 -0.998 5.5-159.5-135.7 133.3 9.1 15.5 -23.2 23 24 H T E -AB 5 77A 39 -18,-2.2 -18,-2.2 -2,-0.4 2,-0.6 -0.981 9.3-157.9-117.2 120.7 9.4 15.9 -27.1 24 25 H V E +A 4 0A 1 52,-2.2 2,-0.3 -2,-0.5 -20,-0.2 -0.895 14.5 179.6-104.9 116.0 8.9 19.4 -28.4 25 26 H S E +A 3 0A 55 -22,-3.0 -22,-2.3 -2,-0.6 3,-0.1 -0.882 50.1 46.0-115.9 147.6 7.8 19.8 -32.1 26 27 H G + 0 0 51 1,-0.4 2,-0.5 -2,-0.3 -1,-0.1 0.234 66.7 118.7 114.5 -14.4 7.1 22.8 -34.2 27 28 H F + 0 0 40 -3,-0.2 -1,-0.4 1,-0.2 5,-0.1 -0.745 21.7 139.5 -85.1 128.9 9.9 25.3 -33.5 28 29 H S + 0 0 107 -2,-0.5 -1,-0.2 3,-0.1 3,-0.0 0.592 65.3 45.7-135.6 -33.7 11.9 26.1 -36.7 29 30 H L S S+ 0 0 169 2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.541 118.2 26.3 -94.4 -11.3 12.8 29.8 -37.0 30 31 H T S S- 0 0 48 1,-0.0 71,-0.1 0, 0.0 -1,-0.1 -0.961 80.4-108.4-141.4 165.5 14.0 30.3 -33.4 31 32 H S E -E 100 0B 52 69,-0.8 69,-2.1 -2,-0.3 2,-0.3 -0.203 40.6-149.1 -79.2 179.8 15.5 28.3 -30.6 32 33 H Y E -E 99 0B 29 67,-0.3 2,-0.3 -5,-0.1 67,-0.2 -0.959 8.7-131.8-147.5 167.9 13.2 27.5 -27.5 33 34 H I E -E 98 0B 4 65,-2.0 65,-1.2 -2,-0.3 2,-0.4 -0.840 14.4-143.9-119.2 157.0 13.2 26.9 -23.8 34 35 H V E -EF 97 51B 0 17,-1.9 17,-2.4 -2,-0.3 2,-0.3 -0.989 14.1-171.0-128.2 119.9 11.5 24.1 -21.8 35 36 H D E -EF 96 50B 2 61,-3.2 61,-2.6 -2,-0.4 2,-0.4 -0.782 11.6-145.8-103.1 150.4 9.9 24.7 -18.4 36 37 H W E +EF 95 49B 0 13,-2.6 12,-2.8 -2,-0.3 13,-1.2 -0.960 19.9 175.1-121.5 138.3 8.6 21.9 -16.1 37 38 H I E -EF 94 47B 0 57,-2.6 57,-3.5 -2,-0.4 2,-0.3 -0.969 11.0-156.9-140.3 147.8 5.6 22.4 -13.8 38 39 H R E -EF 93 46B 17 8,-2.5 8,-2.6 -2,-0.3 55,-0.2 -0.943 5.2-162.2-130.3 159.5 3.7 20.0 -11.5 39 40 H Q E -E 92 0B 20 53,-2.1 53,-2.3 -2,-0.3 6,-0.2 -0.873 15.5-142.8-141.9 103.0 0.2 19.9 -10.0 40 41 H P > - 0 0 37 0, 0.0 3,-2.5 0, 0.0 51,-0.2 -0.295 50.9 -78.5 -59.6 146.2 -0.6 17.6 -7.0 41 42 H P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 49,-0.0 -0.292 118.0 3.2 -53.5 128.3 -4.2 16.2 -7.4 42 43 H G T 3 S+ 0 0 92 1,-0.2 2,-0.2 -3,-0.1 -3,-0.0 0.524 117.7 98.9 72.7 10.6 -6.8 18.9 -6.4 43 44 H K S < S- 0 0 145 -3,-2.5 -1,-0.2 1,-0.2 2,-0.0 -0.500 72.4 -93.2-117.7-177.0 -4.0 21.5 -5.9 44 45 H G - 0 0 25 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.019 49.8 -73.5 -83.2-165.5 -2.4 24.4 -7.7 45 46 H L - 0 0 17 285,-0.4 284,-0.5 -6,-0.2 2,-0.4 -0.780 34.6-167.5-104.3 138.2 0.7 24.7 -9.9 46 47 H E E -F 38 0B 58 -8,-2.6 -8,-2.5 -2,-0.3 2,-0.3 -0.993 20.0-132.6-126.0 125.9 4.4 24.5 -8.8 47 48 H W E -F 37 0B 1 280,-0.5 -10,-0.2 -2,-0.4 3,-0.1 -0.623 23.0-179.9 -78.6 131.8 7.3 25.5 -11.1 48 49 H I E - 0 0 4 -12,-2.8 12,-3.1 1,-0.3 2,-0.3 0.828 48.8 -63.3 -97.2 -51.7 10.1 22.9 -11.1 49 50 H G E -FG 36 59B 0 -13,-1.2 -13,-2.6 10,-0.3 -1,-0.3 -0.983 38.3-110.9 174.9 178.5 12.8 24.2 -13.4 50 51 H V E -FG 35 58B 1 8,-2.7 8,-2.2 -2,-0.3 2,-0.5 -0.972 6.7-150.7-137.1 148.9 13.9 25.3 -16.9 51 52 H I E -FG 34 57B 3 -17,-2.4 -17,-1.9 -2,-0.3 6,-0.2 -0.993 24.7-145.1-120.8 115.4 16.3 24.0 -19.6 52 53 H W > - 0 0 57 4,-2.7 3,-2.5 -2,-0.5 -19,-0.1 -0.440 29.3 -99.0 -75.8 157.4 17.7 26.9 -21.8 53 54 H A T 3 S+ 0 0 30 1,-0.3 -1,-0.1 2,-0.1 -20,-0.1 0.772 122.1 51.6 -46.5 -40.9 18.5 26.5 -25.5 54 55 H G T 3 S- 0 0 78 1,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.499 123.7-100.1 -78.9 -5.6 22.3 25.9 -24.9 55 56 H G S < S+ 0 0 31 -3,-2.5 -2,-0.1 1,-0.4 16,-0.1 0.302 79.7 131.7 103.6 -7.4 21.6 23.2 -22.4 56 57 H S - 0 0 74 -5,-0.1 -4,-2.7 14,-0.1 -1,-0.4 -0.337 42.4-147.5 -73.0 159.7 22.2 25.1 -19.2 57 58 H T E -G 51 0B 54 -6,-0.2 2,-0.4 -2,-0.0 -6,-0.2 -0.893 18.3-157.7-132.7 160.8 19.5 24.7 -16.5 58 59 H G E -G 50 0B 11 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.3 -0.995 19.3-165.8-136.2 129.8 17.7 26.6 -13.6 59 60 H Y E -G 49 0B 70 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.3 -0.931 27.9-110.3-123.2 150.3 15.9 24.7 -10.8 60 61 H N > - 0 0 10 -12,-3.1 3,-1.5 -2,-0.3 5,-0.3 -0.579 25.1-142.5 -71.0 127.9 13.5 25.6 -8.0 61 62 H S G > S+ 0 0 89 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.734 95.0 75.1 -65.8 -20.6 15.4 25.5 -4.7 62 63 H A G 3 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.1 -14,-0.1 0.678 84.2 66.7 -63.7 -18.5 12.3 24.0 -3.0 63 64 H L G X S- 0 0 1 -3,-1.5 3,-1.4 -15,-0.2 -1,-0.3 0.428 103.2-134.5 -84.7 3.4 13.2 20.7 -4.8 64 65 H R T < - 0 0 207 -3,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.784 60.0 -60.2 46.9 47.7 16.4 20.5 -2.6 65 66 H S T 3 S+ 0 0 123 -5,-0.3 -1,-0.3 1,-0.1 -4,-0.1 0.696 109.2 117.9 58.7 25.5 18.8 19.5 -5.4 66 67 H R < + 0 0 54 -3,-1.4 17,-2.7 17,-0.1 2,-0.3 0.413 56.0 89.8 -94.3 -2.0 16.8 16.3 -6.2 67 68 H V E +C 82 0A 11 15,-0.2 2,-0.3 -7,-0.1 15,-0.2 -0.757 46.6 174.9-107.3 145.0 16.0 17.6 -9.8 68 69 H S E -C 81 0A 41 13,-2.0 13,-2.7 -2,-0.3 2,-0.5 -0.980 9.6-168.0-144.9 131.5 17.8 17.2 -13.1 69 70 H I E +C 80 0A 4 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.994 20.4 175.7-119.1 123.9 16.7 18.4 -16.6 70 71 H T E -C 79 0A 62 9,-2.4 9,-2.7 -2,-0.5 2,-0.5 -0.942 33.2-118.6-130.9 155.6 18.7 17.0 -19.5 71 72 H K E -C 78 0A 107 -2,-0.3 7,-0.2 7,-0.2 4,-0.1 -0.789 35.2-141.8 -87.7 126.0 18.7 17.1 -23.4 72 73 H D - 0 0 45 5,-3.0 5,-0.2 -2,-0.5 4,-0.1 -0.283 22.5-107.3 -83.0 173.0 18.4 13.5 -24.8 73 74 H T S S+ 0 0 159 2,-0.1 2,-0.2 3,-0.1 3,-0.1 0.850 98.4 84.4 -66.8 -39.3 20.1 12.2 -28.0 74 75 H S S > S- 0 0 63 1,-0.1 3,-1.8 2,-0.1 -2,-0.2 -0.466 100.3 -91.9 -68.4 133.8 16.9 12.3 -30.0 75 76 H K T 3 S- 0 0 172 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.163 105.6 -0.2 -48.2 132.8 16.1 15.6 -31.6 76 77 H N T 3 S+ 0 0 46 1,-0.2 -52,-2.2 -4,-0.1 2,-0.4 0.649 97.5 135.5 59.7 21.1 13.9 17.9 -29.3 77 78 H Q E < -B 23 0A 56 -3,-1.8 -5,-3.0 -5,-0.2 2,-0.3 -0.876 30.5-176.0-106.0 133.9 13.7 15.3 -26.5 78 79 H F E -BC 22 71A 13 -56,-2.7 -56,-2.5 -2,-0.4 2,-0.4 -0.962 12.3-148.7-128.8 145.8 14.2 16.2 -22.9 79 80 H S E -BC 21 70A 11 -9,-2.7 -9,-2.4 -2,-0.3 2,-0.5 -0.948 3.6-163.1-118.5 133.3 14.3 14.2 -19.7 80 81 H L E -BC 20 69A 1 -60,-2.7 -60,-2.6 -2,-0.4 2,-0.4 -0.964 12.6-175.4-111.0 129.6 13.2 15.3 -16.2 81 82 H K E -BC 19 68A 88 -13,-2.7 -13,-2.0 -2,-0.5 2,-0.4 -0.988 9.5-173.2-126.6 136.7 14.5 13.2 -13.2 82 83 H L E -BC 18 67A 3 -64,-2.4 -64,-2.6 -2,-0.4 3,-0.3 -0.971 14.9-155.3-130.2 115.5 13.5 13.7 -9.6 83 84 H S + 0 0 40 -17,-2.7 -66,-0.2 -2,-0.4 -67,-0.2 -0.368 65.4 21.4 -86.3 168.0 15.4 11.6 -7.0 84 85 H S S S- 0 0 71 -69,-0.8 -1,-0.2 1,-0.1 -68,-0.2 0.857 83.2-165.2 45.4 51.4 14.4 10.4 -3.4 85 86 H V + 0 0 1 -69,-2.1 -70,-3.1 -3,-0.3 2,-0.2 -0.269 15.7 179.5 -69.0 152.9 10.7 10.7 -4.0 86 87 H T > - 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