==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CATALYTIC ANTIBODY 16-APR-96 1KEL . COMPND 2 MOLECULE: 28B4 FAB; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR L.C.HSIEH-WILSON,P.G.SCHULTZ,R.C.STEVENS . 435 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 38.9 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 . 2 0.5 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 . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 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 . 4 2 7 2 6 7 1 0 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 5 1 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 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 0 144 0, 0.0 2,-0.4 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 158.7 -22.9 39.0 0.9 2 2 L V - 0 0 12 97,-2.0 2,-0.5 23,-0.0 96,-0.0 -0.814 360.0-143.4-100.5 137.6 -19.4 39.3 2.2 3 3 L L - 0 0 114 -2,-0.4 23,-2.2 2,-0.0 2,-0.4 -0.891 12.5-155.0-102.7 131.0 -16.7 36.9 1.0 4 4 L M E -A 25 0A 24 -2,-0.5 2,-0.4 21,-0.2 21,-0.2 -0.871 7.4-169.0-103.6 138.8 -14.1 35.9 3.6 5 5 L T E -A 24 0A 67 19,-3.3 19,-2.2 -2,-0.4 2,-0.5 -0.955 0.7-170.5-133.3 110.3 -10.7 34.7 2.6 6 6 L Q E -A 23 0A 15 -2,-0.4 17,-0.2 17,-0.2 99,-0.1 -0.893 24.2-128.1-100.6 129.5 -8.3 33.1 5.1 7 7 L T E +A 22 0A 69 15,-2.5 15,-3.2 -2,-0.5 100,-0.1 -0.992 64.5 22.4-139.8 150.4 -4.7 32.5 4.0 8 8 L P - 0 0 46 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.577 49.9-157.3 -95.9 167.4 -2.7 30.5 3.9 9 9 L L S S+ 0 0 152 98,-0.2 99,-2.7 1,-0.2 2,-0.4 0.912 90.8 24.4 -58.5 -48.0 -4.2 27.0 4.0 10 10 L S E -d 108 0B 35 97,-0.2 99,-0.2 80,-0.1 -1,-0.2 -0.960 68.1-168.2-123.6 139.4 -0.8 25.7 5.2 11 11 L L E -d 109 0B 29 97,-2.4 99,-2.3 -2,-0.4 2,-0.3 -0.835 5.7-162.5-134.0 97.0 1.9 27.7 7.0 12 12 L P E +d 110 0B 49 0, 0.0 2,-0.3 0, 0.0 99,-0.2 -0.578 24.0 163.7 -75.2 134.1 5.3 26.1 7.4 13 13 L V E -d 111 0B 5 97,-2.2 99,-3.1 -2,-0.3 2,-0.4 -0.908 35.2-122.1-146.4 167.3 7.4 27.8 10.2 14 14 L S > - 0 0 44 -2,-0.3 3,-2.1 97,-0.2 69,-0.2 -0.900 44.6 -93.2-111.4 146.4 10.4 27.1 12.3 15 15 L L T 3 S+ 0 0 105 -2,-0.4 69,-0.2 1,-0.3 3,-0.1 -0.368 114.8 27.4 -57.6 134.0 10.2 27.1 16.1 16 16 L G T 3 S+ 0 0 49 67,-2.8 66,-0.5 1,-0.4 -1,-0.3 0.102 97.8 108.7 99.9 -23.3 11.0 30.6 17.3 17 17 L D S < S- 0 0 70 -3,-2.1 66,-3.2 65,-0.2 -1,-0.4 -0.317 72.4-111.3 -80.2 168.1 9.9 32.4 14.2 18 18 L Q - 0 0 99 64,-0.2 2,-0.4 63,-0.2 63,-0.2 -0.745 26.6-152.6 -97.7 153.3 6.8 34.5 14.0 19 19 L A E - B 0 80A 2 61,-2.4 61,-2.5 -2,-0.3 2,-0.4 -0.926 4.8-161.5-123.6 144.8 3.8 33.3 12.0 20 20 L S E - B 0 79A 57 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.999 3.9-168.1-130.3 129.6 1.2 35.6 10.4 21 21 L I E - B 0 78A 1 57,-3.1 57,-2.7 -2,-0.4 2,-0.4 -0.956 12.7-141.5-120.5 138.5 -2.2 34.5 9.3 22 22 L S E +AB 7 77A 20 -15,-3.2 -15,-2.5 -2,-0.4 2,-0.5 -0.834 18.7 179.4-109.1 133.8 -4.6 36.5 7.1 23 23 L a E +AB 6 76A 0 53,-2.8 53,-3.2 -2,-0.4 2,-0.3 -0.980 18.0 173.3-128.1 116.0 -8.3 37.0 7.2 24 24 L R E -AB 5 75A 108 -19,-2.2 -19,-3.3 -2,-0.5 2,-0.3 -0.927 15.3-150.9-126.4 153.4 -9.7 39.4 4.6 25 25 L F E -A 4 0A 14 49,-2.6 -21,-0.2 -2,-0.3 4,-0.1 -0.936 25.1-127.0-127.4 146.4 -13.3 40.3 3.5 26 26 L S S S+ 0 0 67 -23,-2.2 2,-0.3 -2,-0.3 -22,-0.1 0.577 96.9 2.4 -64.7 -13.3 -14.9 41.5 0.2 27 27 L Q S S- 0 0 93 -24,-0.2 -25,-0.0 46,-0.1 -1,-0.0 -0.960 99.8 -59.9-163.1 169.9 -16.3 44.4 2.2 28 28 L S - 0 0 65 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.255 30.8-171.7 -61.6 137.5 -16.4 46.1 5.6 29 29 L I + 0 0 0 44,-1.7 8,-0.5 2,-0.1 2,-0.3 0.126 39.9 131.6-115.4 17.3 -17.7 44.0 8.6 30 30 L V - 0 0 67 6,-0.1 6,-0.2 43,-0.1 2,-0.2 -0.554 54.2-132.9 -69.3 131.8 -17.7 46.9 11.1 31 31 L H > - 0 0 73 4,-3.2 3,-2.3 -2,-0.3 -2,-0.1 -0.534 17.4-113.1 -85.0 158.4 -21.0 46.9 12.9 32 32 L S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.817 115.9 64.7 -61.0 -27.5 -23.0 50.1 13.4 33 33 L N T 3 S- 0 0 83 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.437 121.3-108.3 -75.4 -0.5 -22.5 49.8 17.1 34 34 L G S < S+ 0 0 54 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.187 82.2 114.1 98.4 -17.0 -18.8 50.3 16.4 35 35 L N - 0 0 62 -5,-0.1 -4,-3.2 2,-0.0 2,-0.5 -0.446 54.2-146.5 -86.5 162.9 -17.5 46.8 17.1 36 36 L T - 0 0 20 -6,-0.2 2,-1.8 -2,-0.1 -6,-0.1 -0.964 8.5-152.0-132.6 107.0 -16.1 44.3 14.6 37 37 L Y + 0 0 41 -8,-0.5 2,-0.5 -2,-0.5 59,-0.4 -0.487 42.3 141.3 -80.8 64.3 -16.9 40.7 15.5 38 38 L L - 0 0 0 -2,-1.8 18,-2.8 57,-0.1 2,-0.3 -0.954 28.4-176.1-109.5 121.8 -13.9 39.0 14.0 39 39 L E E -E 94 0B 2 55,-3.2 55,-2.4 -2,-0.5 2,-0.4 -0.829 18.2-146.4-120.9 158.0 -12.6 36.2 16.1 40 40 L W E -EF 93 53B 0 13,-2.6 12,-2.7 -2,-0.3 13,-1.4 -0.996 17.5-178.9-127.3 134.4 -9.7 33.7 16.0 41 41 L Y E -EF 92 51B 0 51,-2.7 51,-2.5 -2,-0.4 2,-0.4 -0.917 16.1-147.0-130.5 152.2 -9.7 30.1 17.2 42 42 L L E -EF 91 50B 9 8,-2.3 8,-2.1 -2,-0.3 2,-0.5 -0.962 8.3-169.2-119.1 133.6 -7.2 27.3 17.4 43 43 L Q E -E 90 0B 6 47,-2.4 47,-2.8 -2,-0.4 2,-0.2 -0.968 10.7-160.1-125.2 108.0 -8.1 23.6 17.0 44 44 L K > - 0 0 30 4,-0.5 3,-1.9 -2,-0.5 45,-0.1 -0.549 43.3 -72.1 -82.7 155.8 -5.3 21.2 17.9 45 45 L S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 43,-0.2 3,-0.1 -0.254 119.8 2.8 -52.1 128.0 -5.4 17.7 16.6 46 46 L G T 3 S+ 0 0 85 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.750 113.6 107.5 65.9 28.1 -8.1 15.7 18.4 47 47 L Q S < S- 0 0 97 -3,-1.9 -1,-0.2 3,-0.0 3,-0.1 -0.873 73.6-101.4-135.3 162.2 -9.3 18.7 20.4 48 48 L S - 0 0 32 -2,-0.3 -4,-0.5 1,-0.1 281,-0.1 -0.427 51.2 -96.0 -73.3 157.5 -12.2 21.1 20.6 49 49 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.410 42.8-157.6 -72.3 153.7 -11.6 24.6 19.1 50 50 L K E -F 42 0B 91 -8,-2.1 -8,-2.3 -3,-0.1 275,-0.1 -0.995 18.3-108.1-136.6 141.5 -10.6 27.2 21.7 51 51 L L E +F 41 0B 1 273,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.389 36.9 163.8 -66.4 143.5 -10.8 31.0 21.6 52 52 L L E + 0 0 3 -12,-2.7 8,-2.8 1,-0.4 2,-0.4 0.633 67.8 12.3-122.9 -53.0 -7.7 33.1 21.1 53 53 L I E -FG 40 59B 0 -13,-1.4 -13,-2.6 6,-0.3 -1,-0.4 -0.995 62.3-167.5-135.1 132.2 -8.8 36.6 20.1 54 54 L Y E > S+ G 0 58B 29 4,-2.9 4,-2.0 -2,-0.4 3,-0.3 -0.864 70.7 13.1-116.6 155.5 -12.3 38.2 20.2 55 55 L K T 4 S- 0 0 61 -2,-0.3 2,-2.8 1,-0.2 -1,-0.2 0.937 123.5 -69.9 42.6 59.2 -13.5 41.5 18.6 56 56 L V T 4 S+ 0 0 18 -18,-2.8 -1,-0.2 1,-0.2 21,-0.1 -0.199 128.6 22.6 65.4 -53.1 -10.3 41.7 16.5 57 57 L S T 4 S+ 0 0 79 -2,-2.8 2,-0.8 -3,-0.3 -1,-0.2 0.183 85.5 112.5-133.4 18.6 -7.7 42.5 19.0 58 58 L N E < -G 54 0B 63 -4,-2.0 -4,-2.9 10,-0.1 2,-0.4 -0.855 55.8-147.7 -96.9 105.5 -8.9 41.3 22.4 59 59 L R E -G 53 0B 112 -2,-0.8 -6,-0.3 -6,-0.2 3,-0.1 -0.620 22.5-119.4 -73.1 124.8 -6.7 38.4 23.5 60 60 L F > - 0 0 32 -8,-2.8 3,-2.0 -2,-0.4 -1,-0.1 -0.354 39.2 -88.5 -62.6 142.7 -8.8 35.9 25.6 61 61 L S T 3 S+ 0 0 105 1,-0.2 -1,-0.1 -2,-0.0 0, 0.0 -0.316 114.8 26.0 -56.3 125.1 -7.7 35.4 29.2 62 62 L G T 3 S+ 0 0 72 1,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.168 87.5 121.0 107.2 -16.7 -5.1 32.6 29.4 63 63 L V S < S- 0 0 5 -3,-2.0 -1,-0.4 -11,-0.2 -11,-0.0 -0.657 73.6-106.9 -79.2 129.3 -3.8 32.9 25.8 64 64 L P > - 0 0 56 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.244 23.4-118.2 -56.3 148.9 -0.1 33.7 25.8 65 65 L D T 3 S+ 0 0 110 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.644 104.8 84.6 -65.9 -10.2 0.8 37.2 24.9 66 66 L R T 3 S+ 0 0 29 14,-0.1 15,-2.1 16,-0.1 2,-0.4 0.761 81.1 75.6 -58.1 -29.6 2.7 35.8 21.9 67 67 L F E < +C 80 0A 5 -3,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.732 61.0 165.9 -88.2 138.9 -0.6 35.8 20.1 68 68 L S E -C 79 0A 59 11,-2.3 11,-3.0 -2,-0.4 2,-0.4 -0.985 22.5-150.3-155.2 138.3 -2.2 39.0 18.8 69 69 L G E +C 78 0A 9 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.871 25.0 156.6-109.3 145.1 -5.0 40.0 16.5 70 70 L S E +C 77 0A 42 7,-2.3 7,-2.1 -2,-0.4 2,-0.2 -0.807 11.2 112.3-147.4-173.6 -5.0 43.2 14.4 71 71 L G E -C 76 0A 24 5,-0.3 5,-0.3 -2,-0.2 2,-0.3 -0.631 41.5-120.3 127.0 169.9 -6.7 44.4 11.3 72 72 L S E > -C 75 0A 101 3,-3.0 2,-2.4 -2,-0.2 3,-1.6 -0.841 59.7 -39.8-164.1 128.0 -9.2 46.9 10.0 73 73 L G T 3 S+ 0 0 19 -2,-0.3 -44,-1.7 1,-0.3 -46,-0.1 -0.411 133.0 2.5 65.9 -70.1 -12.4 46.9 8.2 74 74 L T T 3 S+ 0 0 44 -2,-2.4 -49,-2.6 -46,-0.2 2,-0.5 0.534 122.2 65.4-122.0 -16.6 -11.7 44.3 5.6 75 75 L D E < +BC 24 72A 60 -3,-1.6 -3,-3.0 -51,-0.2 2,-0.3 -0.951 57.2 177.1-122.5 125.6 -8.2 43.0 6.4 76 76 L F E -BC 23 71A 1 -53,-3.2 -53,-2.8 -2,-0.5 2,-0.4 -0.916 8.4-162.7-128.1 150.2 -7.3 41.1 9.6 77 77 L T E -BC 22 70A 33 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.5 -0.989 12.7-160.3-140.1 135.2 -4.2 39.5 10.9 78 78 L L E -BC 21 69A 0 -57,-2.7 -57,-3.1 -2,-0.4 2,-0.4 -0.972 21.4-168.9-109.2 122.4 -3.3 36.9 13.6 79 79 L K E -BC 20 68A 84 -11,-3.0 -11,-2.3 -2,-0.5 2,-0.4 -0.947 10.7-170.7-115.4 138.7 0.4 37.2 14.6 80 80 L I E -BC 19 67A 0 -61,-2.5 -61,-2.4 -2,-0.4 3,-0.4 -0.978 11.5-159.1-128.1 107.7 2.2 34.6 16.7 81 81 L S S S+ 0 0 30 -15,-2.1 -63,-0.2 -2,-0.4 -64,-0.1 -0.628 72.0 11.0 -87.9 152.4 5.7 35.7 17.8 82 82 L R S S- 0 0 128 -66,-0.5 -1,-0.2 -2,-0.2 -64,-0.2 0.907 88.2-143.4 46.8 58.8 8.3 33.1 18.9 83 83 L V - 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