==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 18-DEC-02 1NGW . COMPND 2 MOLECULE: MATURE METAL CHELATASE CATALYTIC ANTIBODY, LIGHT . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS, HOMO SAPIENS; . AUTHOR J.YIN,S.E.ANDRYSKI,A.E.BEUSCHER IV,R.C.STEVENS,P.G.SCHULTZ . 858 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 330 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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-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 . 91 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 12 8 14 5 10 9 4 2 2 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 8 4 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 L E 0 0 121 0, 0.0 3,-0.2 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 -21.1 102.6 104.4 62.3 2 2 L L - 0 0 2 1,-0.2 2,-0.6 92,-0.1 88,-0.1 0.777 360.0-132.4 20.9 92.1 106.1 105.4 61.3 3 3 L V - 0 0 71 1,-0.1 2,-0.9 94,-0.0 -1,-0.2 -0.551 14.2-155.1 -71.8 114.4 105.6 107.1 57.9 4 4 L M - 0 0 10 -2,-0.6 2,-0.5 94,-0.5 96,-0.5 -0.798 9.7-162.9 -89.5 104.1 108.1 105.8 55.4 5 5 L T E -A 24 0A 74 19,-2.7 19,-2.8 -2,-0.9 2,-0.4 -0.810 7.8-157.2 -92.4 127.1 108.4 108.6 52.8 6 6 L Q E -A 23 0A 15 -2,-0.5 17,-0.2 17,-0.2 94,-0.0 -0.865 11.2-124.6-108.4 136.9 110.0 107.2 49.6 7 7 L T E S+A 22 0A 75 15,-2.9 15,-2.6 -2,-0.4 2,-0.2 -0.998 73.3 20.8-141.6 141.6 111.9 109.3 47.0 8 8 L P - 0 0 39 0, 0.0 3,-0.2 0, 0.0 14,-0.0 0.589 59.8-154.6 -80.7-172.7 111.7 109.8 44.1 9 9 L K S S+ 0 0 123 1,-0.3 94,-1.9 -2,-0.2 2,-0.4 0.824 87.3 15.1 -89.9 -39.2 108.2 108.8 42.9 10 10 L F E S+d 103 0B 143 92,-0.2 -1,-0.3 94,-0.0 2,-0.2 -0.958 73.7 176.2-139.0 115.8 109.3 108.2 39.3 11 11 L M E -d 104 0B 72 92,-2.0 94,-1.3 -2,-0.4 2,-0.2 -0.546 9.2-163.2-108.7-179.3 113.0 107.8 38.4 12 12 L S E +d 105 0B 36 -2,-0.2 94,-0.2 92,-0.2 2,-0.2 -0.657 12.1 170.4-170.7 106.5 114.4 106.9 35.0 13 13 L T E -d 106 0B 6 92,-1.2 94,-2.5 -2,-0.2 2,-0.2 -0.604 29.9-112.4-115.8 177.4 117.9 105.6 34.2 14 14 L T E > -d 107 0B 62 92,-0.2 3,-2.2 -2,-0.2 2,-0.3 -0.677 49.4 -80.2-104.7 160.5 119.7 104.2 31.2 15 15 L V T 3 S+ 0 0 84 92,-0.5 64,-0.2 1,-0.3 63,-0.1 -0.465 123.9 20.2 -61.0 123.2 121.0 100.6 30.9 16 16 L G T 3 S+ 0 0 40 62,-2.5 -1,-0.3 1,-0.4 63,-0.1 0.186 100.2 114.1 101.3 -17.0 124.3 100.6 32.8 17 17 L D < - 0 0 81 -3,-2.2 61,-2.3 61,-0.2 -1,-0.4 -0.289 68.1-113.1 -79.5 169.9 123.4 103.7 34.8 18 18 L R - 0 0 137 59,-0.2 2,-0.4 -3,-0.1 58,-0.2 -0.840 21.9-148.1-108.7 147.6 123.0 103.5 38.6 19 19 L V E - B 0 75A 2 56,-1.7 56,-1.9 -2,-0.3 2,-0.4 -0.911 8.6-165.2-115.6 141.4 119.7 104.1 40.4 20 20 L S E - B 0 74A 57 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.979 6.2-178.8-131.0 124.6 119.3 105.5 43.9 21 21 L I E - B 0 73A 1 52,-2.4 52,-2.5 -2,-0.4 2,-0.3 -0.983 7.9-162.9-124.0 130.5 116.2 105.4 46.1 22 22 L T E -AB 7 72A 45 -15,-2.6 -15,-2.9 -2,-0.4 2,-0.4 -0.839 4.1-168.1-111.9 147.7 116.0 107.0 49.5 23 23 L a E -AB 6 71A 0 48,-2.9 48,-2.6 -2,-0.3 2,-0.4 -0.973 8.5-159.5-137.8 118.1 113.4 106.3 52.2 24 24 L K E -AB 5 70A 87 -19,-2.8 -19,-2.7 -2,-0.4 46,-0.2 -0.830 6.5-145.7-103.8 138.7 113.1 108.5 55.2 25 25 L A - 0 0 18 44,-2.3 -21,-0.2 -2,-0.4 3,-0.1 -0.509 16.4-133.2 -92.1 164.7 111.5 107.5 58.5 26 26 L S S S+ 0 0 61 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.493 94.3 12.4 -94.9 -5.7 109.5 109.9 60.7 27 27 L Q S S- 0 0 93 42,-0.1 -1,-0.3 -24,-0.1 41,-0.0 -0.959 101.5 -76.0-164.6 150.2 111.4 108.5 63.6 28 28 L N + 0 0 107 -2,-0.3 41,-0.2 1,-0.2 -26,-0.0 -0.253 43.2 171.7 -54.5 132.0 114.5 106.3 64.2 29 29 L V - 0 0 18 39,-2.2 2,-0.5 1,-0.2 -1,-0.2 0.744 29.4-142.9-108.9 -43.5 113.7 102.6 63.5 30 30 L G B -J 68 0C 22 38,-1.2 38,-1.6 1,-0.2 -1,-0.2 -0.945 58.2 -29.1 120.9-112.7 117.2 101.1 63.7 31 31 L T S S+ 0 0 76 -2,-0.5 2,-2.7 36,-0.1 -1,-0.2 0.567 100.2 102.4-119.6 -18.0 118.1 98.3 61.3 32 32 L P + 0 0 31 0, 0.0 59,-3.3 0, 0.0 2,-0.3 -0.282 52.6 125.3 -68.9 59.6 114.7 96.5 60.6 33 33 L V E -E 90 0B 0 -2,-2.7 18,-3.2 57,-0.2 2,-0.3 -0.872 34.9-176.9-117.1 151.2 114.1 98.0 57.1 34 34 L A E -E 89 0B 0 55,-2.5 55,-2.8 -2,-0.3 2,-0.4 -0.925 16.2-144.1-143.8 169.0 113.5 96.2 53.9 35 35 L W E -EF 88 48B 0 13,-2.3 12,-2.6 -2,-0.3 13,-1.6 -0.998 11.8-167.3-137.8 141.0 113.0 96.6 50.1 36 36 L Y E -EF 87 46B 5 51,-2.4 51,-2.8 -2,-0.4 2,-0.5 -0.926 12.2-144.2-128.3 152.9 110.8 94.7 47.7 37 37 L Q E -EF 86 45B 14 8,-2.4 8,-2.0 -2,-0.3 2,-0.5 -0.966 13.5-172.2-117.9 126.8 110.7 94.6 43.9 38 38 L Q E -E 85 0B 14 47,-3.0 47,-2.3 -2,-0.5 5,-0.1 -0.948 7.8-158.6-121.9 110.8 107.3 94.3 42.2 39 39 L K - 0 0 59 -2,-0.5 45,-0.1 4,-0.5 44,-0.0 -0.591 45.8 -78.6 -83.5 151.0 107.4 93.7 38.5 40 40 L P S S+ 0 0 65 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.252 113.4 9.3 -51.0 125.4 104.2 94.7 36.6 41 41 L G S S+ 0 0 75 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.804 110.4 71.9 110.7 -91.1 101.7 91.8 37.2 42 42 L Q S S- 0 0 103 -2,-0.8 -1,-0.2 1,-0.1 3,-0.1 0.115 86.9 -94.2 -53.5 170.8 103.1 89.4 39.8 43 43 L S - 0 0 21 1,-0.2 -4,-0.5 276,-0.1 -1,-0.1 -0.144 56.3 -64.3 -81.7-178.2 103.3 90.2 43.5 44 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.266 40.4-150.4 -70.1 155.2 106.3 91.6 45.4 45 45 L K E -F 37 0B 66 -8,-2.0 -8,-2.4 -3,-0.1 2,-0.2 -0.983 22.9-116.5-124.1 134.3 109.7 89.8 45.8 46 46 L L E +F 36 0B 15 -2,-0.4 -10,-0.2 270,-0.3 3,-0.1 -0.541 38.5 166.2 -72.3 135.4 111.9 90.4 48.8 47 47 L L E + 0 0 9 -12,-2.6 8,-1.8 1,-0.3 2,-0.4 0.714 62.4 9.6-114.9 -47.6 115.2 92.0 47.8 48 48 L I E -FG 35 54B 0 -13,-1.6 -13,-2.3 6,-0.2 -1,-0.3 -0.991 58.3-178.9-144.2 132.6 116.8 93.2 51.0 49 49 L Y E > + G 0 53B 91 4,-1.5 4,-1.4 -2,-0.4 3,-0.5 -0.775 69.0 32.7-121.3 168.7 116.0 92.7 54.6 50 50 L S T 4 S- 0 0 39 -2,-0.3 2,-2.5 1,-0.3 3,-0.2 0.877 121.9 -79.7 51.6 39.8 117.8 94.1 57.7 51 51 L A T 4 S+ 0 0 5 -18,-3.2 -1,-0.3 -3,-0.2 21,-0.2 -0.025 124.1 24.0 65.2 -37.8 118.6 97.2 55.8 52 52 L S T 4 S+ 0 0 67 -2,-2.5 12,-0.4 -3,-0.5 -1,-0.2 0.590 88.6 102.8-135.3 -13.2 121.6 95.7 54.0 53 53 L N E < -G 49 0B 70 -4,-1.4 -4,-1.5 -3,-0.2 2,-0.4 -0.512 61.3-133.8 -77.2 143.1 121.5 91.8 53.6 54 54 L R E -G 48 0B 109 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.2 -0.759 18.5-119.2 -95.5 141.0 120.5 90.4 50.3 55 55 L Y > - 0 0 65 -8,-1.8 3,-1.9 -2,-0.4 -1,-0.0 -0.521 51.3 -82.1 -73.2 147.7 117.9 87.6 50.2 56 56 L T T 3 S+ 0 0 117 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.225 119.1 25.1 -51.0 134.0 119.5 84.5 48.6 57 57 L G T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -3,-0.1 -10,-0.0 -0.156 85.1 123.1 104.1 -40.7 119.3 84.8 44.8 58 58 L V < - 0 0 20 -3,-1.9 -1,-0.3 -11,-0.1 -4,-0.1 -0.385 67.5-115.0 -60.3 121.5 119.3 88.6 44.6 59 59 L P > - 0 0 52 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.252 19.4-113.6 -62.3 144.6 122.2 89.7 42.4 60 60 L D T 3 S+ 0 0 124 1,-0.3 16,-0.1 15,-0.0 -2,-0.1 0.529 105.5 81.7 -54.8 -9.4 125.0 91.8 44.0 61 61 L R T 3 S+ 0 0 46 14,-0.1 15,-2.8 16,-0.1 2,-0.5 0.726 78.3 79.0 -71.7 -19.2 124.1 94.8 41.8 62 62 L F E < -C 75 0A 3 -3,-2.3 2,-0.4 13,-0.2 13,-0.2 -0.787 66.4-175.2 -90.9 127.3 121.3 95.6 44.3 63 63 L T E -C 74 0A 51 11,-2.8 11,-3.4 -2,-0.5 2,-0.5 -0.984 15.4-164.1-130.5 130.1 122.6 97.4 47.4 64 64 L G E +C 73 0A 7 -12,-0.4 9,-0.2 -2,-0.4 2,-0.2 -0.928 29.2 146.9-108.9 132.5 120.8 98.4 50.6 65 65 L S E +C 72 0A 46 7,-2.8 7,-1.3 -2,-0.5 -2,-0.0 -0.651 17.4 74.7-143.2-160.6 122.5 100.9 52.8 66 66 L G - 0 0 40 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 0.221 51.2-151.2 66.2 162.8 122.1 103.8 55.2 67 67 L S > + 0 0 78 3,-0.5 2,-1.1 4,-0.1 3,-0.6 -0.982 54.4 36.5-166.7 158.7 120.8 103.4 58.8 68 68 L G B 3 S-J 30 0C 15 -38,-1.6 -39,-2.2 -2,-0.3 -38,-1.2 -0.726 128.2 -19.7 98.6 -84.5 119.0 105.1 61.6 69 69 L T T 3 S+ 0 0 57 -2,-1.1 -44,-2.3 -41,-0.2 2,-0.6 0.510 125.8 68.5-132.0 -19.9 116.3 107.0 59.8 70 70 L D E < +B 24 0A 66 -3,-0.6 -3,-0.5 -46,-0.2 2,-0.3 -0.924 58.7 176.0-111.8 122.4 117.5 107.3 56.3 71 71 L F E -B 23 0A 0 -48,-2.6 -48,-2.9 -2,-0.6 2,-0.3 -0.852 4.8-172.9-121.5 156.9 117.7 104.3 54.1 72 72 L T E -BC 22 65A 31 -7,-1.3 -7,-2.8 -2,-0.3 2,-0.4 -0.999 13.8-154.0-152.3 147.6 118.6 103.8 50.5 73 73 L L E -BC 21 64A 1 -52,-2.5 -52,-2.4 -2,-0.3 2,-0.4 -0.972 16.5-163.7-120.8 137.0 118.7 101.2 47.8 74 74 L T E -BC 20 63A 10 -11,-3.4 -11,-2.8 -2,-0.4 2,-0.6 -0.969 14.9-155.9-127.8 141.8 121.0 101.3 44.9 75 75 L I E > -BC 19 62A 1 -56,-1.9 -56,-1.7 -2,-0.4 3,-0.6 -0.943 11.3-166.6-112.8 109.0 121.1 99.5 41.6 76 76 L S T 3 S+ 0 0 44 -15,-2.8 2,-0.4 -2,-0.6 -1,-0.2 0.923 80.4 18.9 -62.8 -52.5 124.7 99.4 40.3 77 77 L N T 3 S- 0 0 92 -59,-0.1 -1,-0.3 -16,-0.0 -59,-0.2 -0.629 83.5-146.8-123.4 72.9 124.2 98.3 36.7 78 78 L M < - 0 0 0 -61,-2.3 -62,-2.5 -3,-0.6 2,-0.3 -0.105 23.6-176.0 -41.3 117.1 120.6 99.0 35.8 79 79 L Q > - 0 0 75 -64,-0.2 3,-3.0 -63,-0.1 4,-0.3 -0.920 42.0-105.4-120.2 150.4 119.6 96.3 33.4 80 80 L S G > S+ 0 0 12 -2,-0.3 3,-1.5 1,-0.3 90,-0.1 0.774 117.6 68.6 -43.2 -29.6 116.3 95.9 31.6 81 81 L E G 3 S+ 0 0 91 1,-0.3 -1,-0.3 88,-0.1 87,-0.1 0.403 92.4 59.1 -73.7 4.5 115.5 93.1 34.0 82 82 L D G < S+ 0 0 4 -3,-3.0 -1,-0.3 2,-0.1 2,-0.2 0.376 70.8 125.3-111.4 -1.3 115.2 95.6 36.8 83 83 L L < + 0 0 13 -3,-1.5 2,-0.3 -4,-0.3 22,-0.1 -0.447 47.4 87.2 -59.1 121.0 112.5 97.6 35.2 84 84 L A E S- H 0 104B 1 20,-0.9 20,-3.0 -2,-0.2 2,-0.4 -0.982 79.6 -67.5 172.8-169.9 109.8 97.6 37.9 85 85 L D E -EH 38 103B 41 -47,-2.3 -47,-3.0 -2,-0.3 2,-0.4 -0.860 43.3-154.9-107.0 145.4 108.3 99.3 41.0 86 86 L Y E -EH 37 102B 0 16,-2.8 16,-2.1 -2,-0.4 2,-0.4 -0.948 5.3-159.5-126.6 146.4 110.3 99.2 44.2 87 87 L F E -E 36 0B 7 -51,-2.8 -51,-2.4 -2,-0.4 2,-0.4 -0.967 9.1-147.1-132.7 143.4 109.1 99.4 47.8 88 88 L a E -E 35 0B 0 -2,-0.4 11,-2.9 -53,-0.2 2,-0.3 -0.817 20.6-171.5-104.7 139.8 110.5 100.3 51.1 89 89 L Q E -EI 34 98B 7 -55,-2.8 -55,-2.5 -2,-0.4 2,-0.4 -0.955 14.3-153.1-133.2 155.6 109.3 98.7 54.3 90 90 L Q E +EI 33 97B 0 7,-2.4 7,-1.5 -2,-0.3 -57,-0.2 -0.993 15.2 170.6-127.9 127.0 109.8 99.2 58.1 91 91 L Y + 0 0 89 -59,-3.3 -58,-0.1 -2,-0.4 3,-0.1 -0.093 55.0 87.4-132.6 43.5 109.5 96.3 60.6 92 92 L S S S+ 0 0 56 1,-0.3 2,-0.4 -60,-0.2 -1,-0.1 0.708 95.1 32.5-104.2 -31.7 110.7 97.5 63.9 93 93 L S S S- 0 0 44 -61,-0.1 -1,-0.3 2,-0.1 4,-0.2 -0.983 96.0 -78.0-131.5 139.8 107.4 99.0 65.1 94 94 L Y S S+ 0 0 111 -2,-0.4 -92,-0.1 -3,-0.1 2,-0.1 -0.559 103.4 46.7 -81.3 143.7 103.8 98.1 64.5 95 95 L P S S- 0 0 30 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.498 91.0-125.0 -81.5 150.9 102.0 98.5 62.2 96 96 L L - 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