==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 07-JUL-13 4LKC . COMPND 2 MOLECULE: FAB FRAGMENT OF PCSK9 ANTIBODY; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.SCHIELE,H.NAR . 442 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 177 40.0 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 . 3 0.7 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-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 . 47 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.7 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 5 4 2 5 8 1 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 . 1 0 5 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 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 A 0 0 110 0, 0.0 2,-0.6 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 134.7 13.6 -9.3 35.0 2 3 A I - 0 0 4 93,-0.4 2,-0.4 24,-0.1 88,-0.1 -0.723 360.0-154.9 -85.2 118.1 11.6 -6.1 34.9 3 4 A Q - 0 0 126 -2,-0.6 23,-2.1 94,-0.1 2,-0.5 -0.766 3.7-157.6 -93.0 134.5 10.8 -5.0 31.4 4 5 A L E -A 25 0A 8 94,-0.4 2,-0.5 -2,-0.4 96,-0.4 -0.978 5.7-166.4-115.6 124.3 10.2 -1.3 30.7 5 6 A T E -A 24 0A 36 19,-2.9 19,-2.9 -2,-0.5 2,-0.3 -0.956 6.0-157.0-113.3 123.2 8.2 -0.3 27.7 6 7 A Q E -A 23 0A 4 -2,-0.5 17,-0.2 17,-0.2 94,-0.0 -0.731 13.6-124.9 -99.5 147.3 8.2 3.4 26.5 7 8 A S E S+A 22 0A 56 15,-2.0 15,-2.9 -2,-0.3 2,-0.1 -0.996 80.7 21.5-143.0 138.3 5.5 5.1 24.5 8 9 A P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.677 66.1-151.6 -76.6 173.7 5.6 6.6 21.9 9 10 A S S S+ 0 0 77 1,-0.3 94,-2.2 -2,-0.1 2,-0.3 0.811 83.7 4.5 -76.1 -29.8 8.9 5.3 20.3 10 11 A S E +d 103 0B 72 92,-0.3 -1,-0.3 75,-0.0 2,-0.3 -0.972 68.6 176.3-150.2 152.9 9.2 8.7 18.5 11 12 A L E -d 104 0B 43 92,-1.9 94,-2.7 -2,-0.3 2,-0.4 -0.975 18.1-146.5-159.7 154.9 7.3 12.0 18.4 12 13 A S E +d 105 0B 35 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.996 25.9 168.7-126.8 124.5 7.5 15.5 16.9 13 14 A A E -d 106 0B 6 92,-2.3 94,-3.2 -2,-0.4 2,-0.1 -0.979 28.3-115.0-141.5 154.2 6.3 18.6 18.7 14 15 A S > - 0 0 46 -2,-0.3 3,-1.5 92,-0.2 64,-0.3 -0.320 43.4 -84.8 -82.8 163.9 6.5 22.4 18.4 15 16 A V T 3 S+ 0 0 80 92,-0.4 64,-0.2 1,-0.2 -1,-0.1 -0.548 119.4 26.4 -68.5 129.1 8.3 24.9 20.6 16 17 A G T 3 S+ 0 0 43 62,-1.8 -1,-0.2 1,-0.3 63,-0.1 0.181 95.0 128.8 99.1 -13.6 5.8 25.8 23.5 17 18 A D < - 0 0 72 -3,-1.5 61,-2.5 60,-0.1 2,-0.5 -0.351 60.8-122.9 -73.0 152.8 4.0 22.4 23.3 18 19 A R - 0 0 176 59,-0.2 2,-0.4 -3,-0.1 58,-0.2 -0.882 31.0-164.9 -98.4 122.5 3.3 20.1 26.2 19 20 A V E - B 0 75A 6 56,-2.6 56,-2.6 -2,-0.5 2,-0.4 -0.919 7.4-163.3-114.8 138.8 4.8 16.6 25.6 20 21 A T E - B 0 74A 70 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.990 2.5-169.9-125.4 126.8 4.1 13.4 27.6 21 22 A I E - B 0 73A 0 52,-2.8 52,-3.1 -2,-0.4 2,-0.3 -0.982 12.4-149.4-120.7 125.3 6.3 10.3 27.5 22 23 A T E -AB 7 72A 38 -15,-2.9 -15,-2.0 -2,-0.4 2,-0.4 -0.674 11.4-171.4 -97.1 147.4 5.0 7.0 29.1 23 24 A a E -AB 6 71A 0 48,-2.2 48,-2.2 -2,-0.3 2,-0.5 -0.965 8.2-165.4-138.9 114.0 7.1 4.2 30.7 24 25 A R E -AB 5 70A 115 -19,-2.9 -19,-2.9 -2,-0.4 2,-0.3 -0.936 7.8-149.1-108.3 127.3 5.3 0.9 31.6 25 26 A A E -A 4 0A 4 44,-2.5 -21,-0.2 -2,-0.5 4,-0.1 -0.732 14.2-138.1 -94.8 140.9 6.9 -1.6 34.0 26 27 A S S S+ 0 0 56 -23,-2.1 2,-0.3 -2,-0.3 -1,-0.1 0.696 92.3 22.7 -68.8 -21.5 6.2 -5.4 33.6 27 28 A Q S S- 0 0 100 -24,-0.2 2,-0.1 41,-0.1 -1,-0.0 -0.933 104.5 -78.5-138.4 159.2 5.9 -5.7 37.4 28 29 A G + 0 0 47 -2,-0.3 41,-0.2 1,-0.1 -2,-0.1 -0.352 42.4 172.7 -62.9 129.6 5.2 -3.2 40.2 29 30 A I > - 0 0 0 39,-2.9 3,-2.0 1,-0.3 2,-0.2 0.204 29.8-142.2-124.8 12.9 8.3 -1.1 41.0 30 31 A S T 3 S- 0 0 85 1,-0.2 38,-1.2 38,-0.2 -1,-0.3 -0.443 70.7 -36.0 57.8-117.5 6.7 1.5 43.5 31 32 A S T 3 S+ 0 0 33 -2,-0.2 2,-2.1 36,-0.2 -1,-0.2 0.128 99.9 124.3-119.3 19.3 8.4 4.9 42.7 32 33 A A < + 0 0 28 -3,-2.0 59,-2.2 18,-0.2 60,-0.5 -0.307 42.9 118.1 -79.4 55.2 11.9 3.4 41.9 33 34 A L E -E 90 0B 1 -2,-2.1 18,-3.0 57,-0.2 2,-0.3 -0.990 41.8-169.3-130.7 129.5 12.0 5.0 38.4 34 35 A A E -E 89 0B 0 55,-3.0 55,-1.9 -2,-0.4 2,-0.4 -0.852 10.4-146.3-114.4 150.6 14.5 7.5 36.9 35 36 A W E -EF 88 48B 0 13,-2.4 12,-2.7 -2,-0.3 13,-1.3 -0.923 14.9-168.2-118.5 144.0 14.3 9.5 33.7 36 37 A Y E -EF 87 46B 0 51,-2.4 51,-2.0 -2,-0.4 2,-0.5 -0.952 14.8-144.0-132.0 151.4 17.3 10.5 31.5 37 38 A Q E -EF 86 45B 13 8,-2.6 8,-2.2 -2,-0.3 2,-0.6 -0.968 13.9-165.3-116.7 124.9 17.9 12.9 28.6 38 39 A Q E -E 85 0B 17 47,-2.8 47,-2.3 -2,-0.5 5,-0.1 -0.920 0.8-167.1-116.4 112.0 20.4 11.9 25.9 39 40 A K > - 0 0 31 -2,-0.6 3,-1.8 4,-0.4 45,-0.1 -0.558 44.4 -80.2 -84.9 152.1 21.7 14.5 23.4 40 41 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.348 114.7 7.4 -62.7 134.9 23.6 13.2 20.3 41 42 A G T 3 S+ 0 0 90 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.461 114.6 101.1 74.5 4.8 27.2 12.4 20.9 42 43 A K S < S- 0 0 135 -3,-1.8 -1,-0.2 1,-0.0 3,-0.1 -0.839 77.2-108.0-119.9 157.6 26.7 12.9 24.6 43 44 A A - 0 0 24 -2,-0.3 -4,-0.4 1,-0.1 289,-0.1 -0.415 53.0 -87.6 -71.7 154.5 26.2 10.6 27.7 44 45 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.273 38.4-141.7 -64.9 155.3 22.6 10.6 29.2 45 46 A K E -F 37 0B 95 -8,-2.2 -8,-2.6 -3,-0.1 2,-0.3 -0.966 17.0-118.3-118.0 132.3 21.8 13.2 31.8 46 47 A L E +F 36 0B 5 -2,-0.4 -10,-0.2 284,-0.2 3,-0.1 -0.541 38.1 164.7 -72.6 130.1 19.6 12.5 34.9 47 48 A L E + 0 0 0 -12,-2.7 8,-2.5 1,-0.4 2,-0.3 0.762 63.7 16.5-107.8 -49.4 16.4 14.6 34.9 48 49 A I E -FG 35 54B 0 -13,-1.3 -13,-2.4 6,-0.2 -1,-0.4 -0.994 58.8-175.5-134.8 139.2 14.1 12.9 37.4 49 50 A Y E >> S+ G 0 53B 42 4,-2.4 4,-2.4 -2,-0.3 3,-0.6 -0.832 71.4 28.7-126.3 163.4 14.6 10.3 40.2 50 51 A D T 34 S- 0 0 10 277,-0.6 2,-1.7 -2,-0.3 -18,-0.2 0.850 122.9 -79.7 51.2 39.1 12.1 8.5 42.5 51 52 A A T 34 S+ 0 0 1 -18,-3.0 -1,-0.3 1,-0.2 21,-0.2 -0.014 127.5 28.1 63.7 -30.7 9.5 8.9 39.7 52 53 A S T <4 S+ 0 0 74 -2,-1.7 2,-0.5 -3,-0.6 12,-0.4 0.465 85.7 111.1-136.1 -7.0 8.8 12.6 40.5 53 54 A S E < -G 49 0B 31 -4,-2.4 -4,-2.4 10,-0.1 2,-0.4 -0.686 62.9-130.1 -84.0 126.4 11.8 14.3 42.1 54 55 A L E -G 48 0B 77 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.603 22.2-129.4 -76.1 118.5 13.5 16.9 40.0 55 56 A E > - 0 0 30 -8,-2.5 3,-1.7 -2,-0.4 -1,-0.1 -0.356 36.9 -86.8 -66.4 146.3 17.3 16.4 39.8 56 57 A S T 3 S+ 0 0 105 1,-0.2 -1,-0.1 -2,-0.0 0, 0.0 -0.235 113.1 19.8 -54.3 140.1 19.6 19.5 40.6 57 58 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.331 92.8 124.5 79.7 -3.8 20.3 21.7 37.6 58 59 A V < - 0 0 12 -3,-1.7 -1,-0.2 -11,-0.1 -11,-0.0 -0.769 66.3-114.9 -90.8 126.4 17.3 20.4 35.7 59 60 A P > - 0 0 50 0, 0.0 3,-1.4 0, 0.0 -4,-0.1 -0.189 23.3-115.6 -59.2 151.9 14.8 23.1 34.5 60 61 A S T 3 S+ 0 0 110 1,-0.2 16,-0.1 -6,-0.1 -2,-0.0 0.615 104.5 81.6 -64.0 -16.4 11.3 23.0 36.0 61 62 A R T 3 S+ 0 0 44 14,-0.1 15,-2.5 16,-0.1 2,-0.5 0.731 81.7 76.9 -63.1 -20.5 9.7 22.3 32.5 62 63 A F E < +C 75 0A 5 -3,-1.4 2,-0.3 13,-0.2 13,-0.2 -0.795 63.5 162.3 -92.5 125.4 10.7 18.6 33.1 63 64 A S E -C 74 0A 51 11,-2.2 11,-3.1 -2,-0.5 2,-0.3 -0.981 23.3-149.4-143.0 153.6 8.4 16.7 35.6 64 65 A G E +C 73 0A 11 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.899 16.3 172.0-122.4 151.6 7.7 13.1 36.5 65 66 A S E +C 72 0A 56 7,-1.8 7,-2.7 -2,-0.3 2,-0.1 -0.950 27.3 66.3-151.7 164.5 4.6 11.3 37.8 66 67 A G E -C 71 0A 41 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.247 39.7-149.3 107.9 167.0 3.3 7.8 38.5 67 68 A S E > +C 70 0A 85 3,-0.8 3,-1.3 -2,-0.1 2,-1.1 -0.926 64.7 24.6-160.7 167.3 3.8 4.8 40.8 68 69 A G T 3 S- 0 0 27 -38,-1.2 -39,-2.9 -2,-0.3 -38,-0.2 -0.585 129.8 -23.7 75.9 -96.3 3.4 1.0 40.5 69 70 A T T 3 S+ 0 0 55 -2,-1.1 -44,-2.5 -41,-0.2 2,-0.5 0.466 121.1 74.1-126.5 -11.8 3.6 0.1 36.8 70 71 A D E < +BC 24 67A 92 -3,-1.3 -3,-0.8 -46,-0.2 2,-0.3 -0.956 55.0 171.3-117.6 117.6 2.6 3.4 34.9 71 72 A F E -BC 23 66A 0 -48,-2.2 -48,-2.2 -2,-0.5 2,-0.4 -0.934 13.0-158.2-128.7 148.1 5.0 6.3 34.8 72 73 A T E -BC 22 65A 32 -7,-2.7 -7,-1.8 -2,-0.3 2,-0.5 -0.988 9.7-160.2-133.0 136.9 5.0 9.6 32.9 73 74 A L E -BC 21 64A 0 -52,-3.1 -52,-2.8 -2,-0.4 2,-0.4 -0.958 20.0-166.6-107.8 124.3 7.7 12.2 31.8 74 75 A T E -BC 20 63A 13 -11,-3.1 -11,-2.2 -2,-0.5 2,-0.6 -0.958 17.9-167.6-118.0 132.9 6.2 15.6 31.0 75 76 A I E -BC 19 62A 0 -56,-2.6 -56,-2.6 -2,-0.4 3,-0.4 -0.952 13.7-165.4-113.9 100.0 7.9 18.5 29.2 76 77 A S S S+ 0 0 42 -15,-2.5 2,-0.2 -2,-0.6 -1,-0.1 0.746 74.8 13.7 -58.9 -40.0 5.5 21.5 29.9 77 78 A S S S- 0 0 53 -16,-0.1 -1,-0.2 -59,-0.1 -59,-0.2 -0.723 85.6-132.8-146.6 91.8 6.8 24.0 27.3 78 79 A L - 0 0 0 -61,-2.5 -62,-1.8 -3,-0.4 -61,-0.1 -0.060 18.6-164.7 -48.8 138.8 9.2 22.6 24.6 79 80 A Q > - 0 0 73 -64,-0.2 3,-2.1 -63,-0.1 4,-0.2 -0.859 34.0-109.9-119.4 154.1 12.4 24.5 23.8 80 81 A P G > S+ 0 0 30 0, 0.0 3,-1.1 0, 0.0 26,-0.1 0.841 118.2 57.1 -56.2 -34.1 14.6 23.9 20.7 81 82 A E G 3 S+ 0 0 81 1,-0.2 87,-0.1 88,-0.0 88,-0.1 0.393 84.6 85.1 -76.4 1.5 17.3 22.2 22.8 82 83 A D G < + 0 0 1 -3,-2.1 -1,-0.2 86,-0.1 2,-0.2 0.571 57.8 115.7 -82.0 -6.5 14.8 19.7 24.1 83 84 A F < + 0 0 7 -3,-1.1 2,-0.3 -4,-0.2 22,-0.2 -0.439 45.4 107.2 -63.9 126.9 15.4 17.4 21.1 84 85 A A E S- H 0 104B 3 20,-1.1 20,-3.1 -2,-0.2 2,-0.5 -0.960 74.6 -82.3-177.5-179.5 16.9 14.2 22.4 85 86 A T E -EH 38 103B 39 -47,-2.3 -47,-2.8 -2,-0.3 2,-0.4 -0.951 44.6-152.5-106.2 123.3 16.3 10.5 23.2 86 87 A Y E -EH 37 102B 0 16,-2.6 16,-1.7 -2,-0.5 2,-0.4 -0.865 12.3-169.3-103.1 136.0 14.6 10.1 26.6 87 88 A Y E -E 36 0B 9 -51,-2.0 -51,-2.4 -2,-0.4 2,-0.3 -0.979 14.2-152.8-127.3 141.1 15.0 7.0 28.7 88 89 A a E -E 35 0B 0 -2,-0.4 11,-2.3 -53,-0.2 2,-0.3 -0.714 18.8-174.7-103.9 155.8 13.3 5.6 31.9 89 90 A Q E -EI 34 98B 0 -55,-1.9 -55,-3.0 -2,-0.3 2,-0.3 -0.972 13.8-136.0-153.0 138.7 15.2 3.2 34.2 90 91 A Q E -EI 33 97B 0 7,-1.9 7,-0.6 -2,-0.3 -57,-0.2 -0.754 16.8-175.5-106.8 149.8 14.3 1.2 37.2 91 92 A F + 0 0 29 -59,-2.2 -58,-0.1 -2,-0.3 -1,-0.1 0.010 62.9 101.0-121.4 17.9 16.1 0.6 40.6 92 93 A N S S+ 0 0 75 -60,-0.5 2,-0.3 3,-0.1 4,-0.1 0.914 85.0 37.0 -70.0 -45.9 13.6 -1.9 42.0 93 94 A S S S- 0 0 39 2,-0.2 4,-0.1 1,-0.1 -64,-0.0 -0.740 81.9-123.3-103.9 156.9 15.8 -4.9 41.2 94 95 A Y S S+ 0 0 162 -2,-0.3 2,-1.5 1,-0.2 -1,-0.1 0.832 104.6 78.3 -64.8 -32.2 19.6 -5.2 41.5 95 96 A L S S- 0 0 71 178,-0.1 -93,-0.4 168,-0.0 -2,-0.2 -0.653 87.3-149.2 -80.6 88.3 19.3 -6.2 37.8 96 97 A I - 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