==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (ANTIBODY/PV-1 FRAGMENT) 26-JAN-95 1FPT . COMPND 2 MOLECULE: FAB FRAGMENT OF AN NEUTRALIZING ANTIBODY FOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN POLIOVIRUS 1; . AUTHOR M.W.WIEN,J.M.HOGLE . 450 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 36.7 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 . 4 0.9 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 . 1 0.2 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 . 66 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 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 RESIDUES PER ALPHA HELIX . 1 0 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 0 PARALLEL BRIDGES PER LADDER . 5 6 5 5 2 8 0 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 . 1 1 3 2 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 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 93 P D 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.0 5.5 73.3 91.0 2 94 P N + 0 0 152 1,-0.1 7,-0.1 0, 0.0 0, 0.0 -0.588 360.0 147.8 -89.3 81.4 6.2 74.9 87.5 3 95 P P + 0 0 126 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.939 44.1 20.8 -93.9 -52.5 10.0 75.2 86.4 4 96 P A > - 0 0 53 4,-0.1 3,-2.3 1,-0.1 0, 0.0 -0.945 40.6-140.7-139.2 154.1 11.2 74.9 82.7 5 97 P S T 3 S+ 0 0 42 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.771 105.0 65.7 -52.2 -34.5 10.5 75.1 78.9 6 98 P T T 3 S+ 0 0 12 284,-0.1 2,-0.4 278,-0.1 -1,-0.3 0.676 96.2 73.1 -60.7 -22.4 12.6 72.0 78.3 7 99 P T S < S- 0 0 40 -3,-2.3 326,-0.0 1,-0.0 -1,-0.0 -0.891 88.3-109.1-110.1 135.4 10.1 69.9 80.3 8 100 P N > - 0 0 0 -2,-0.4 3,-1.9 1,-0.2 326,-0.2 -0.186 26.9-128.8 -52.6 136.8 6.6 68.6 79.5 9 101 P K T 3 S+ 0 0 116 324,-0.8 -1,-0.2 1,-0.3 325,-0.1 0.737 108.0 71.8 -58.6 -30.8 3.9 70.5 81.6 10 102 P D T 3 0 0 18 323,-0.5 -1,-0.3 324,-0.3 325,-0.1 0.798 360.0 360.0 -38.9 -48.1 2.8 67.1 82.4 11 103 P K < 0 0 52 -3,-1.9 -1,-0.2 33,-0.0 -2,-0.2 0.400 360.0 360.0 -98.3 360.0 5.8 66.6 84.6 12 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 1 L D 0 0 126 0, 0.0 97,-0.1 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 -12.6 21.4 57.8 85.4 14 2 L V - 0 0 1 99,-0.1 2,-0.8 1,-0.0 93,-0.1 0.693 360.0-136.4 89.5 79.5 18.7 55.1 85.4 15 3 L V - 0 0 96 99,-0.0 23,-0.9 1,-0.0 2,-0.3 -0.573 21.3-147.9 -66.3 102.7 20.8 52.3 84.1 16 4 L M E -A 37 0A 19 -2,-0.8 2,-0.4 99,-0.3 21,-0.2 -0.631 13.7-165.2 -75.8 135.8 18.5 50.6 81.6 17 5 L T E -A 36 0A 63 19,-1.9 19,-2.0 -2,-0.3 2,-0.4 -0.873 8.2-172.0-135.4 114.2 18.6 46.8 80.9 18 6 L Q E -A 35 0A 12 -2,-0.4 17,-0.2 17,-0.2 15,-0.0 -0.778 13.5-142.4-105.5 142.1 17.3 44.6 78.2 19 7 L T E S+A 34 0A 72 15,-2.5 15,-2.1 -2,-0.4 2,-0.1 -0.991 72.5 40.9-141.0 132.8 17.3 40.8 78.0 20 8 L P - 0 0 39 0, 0.0 3,-0.1 0, 0.0 100,-0.1 0.359 58.6-158.4 -74.8 167.1 17.6 39.0 75.7 21 9 L L S S+ 0 0 136 1,-0.3 99,-1.6 98,-0.2 2,-0.3 0.829 89.2 9.8 -73.6 -29.9 20.5 40.3 73.7 22 10 L S E -d 120 0B 60 97,-0.2 -1,-0.3 2,-0.0 99,-0.2 -0.998 69.0-158.2-149.1 146.3 19.1 38.3 70.8 23 11 L L E -d 121 0B 26 97,-1.7 99,-2.1 -2,-0.3 2,-0.5 -0.848 4.0-159.6-133.3 91.9 15.9 36.4 70.5 24 12 L P E +d 122 0B 74 0, 0.0 2,-0.3 0, 0.0 99,-0.2 -0.666 29.5 169.3 -67.2 120.8 15.5 33.6 67.9 25 13 L V E -d 123 0B 11 97,-3.0 99,-2.5 -2,-0.5 2,-0.3 -0.971 28.6-127.0-133.5 146.2 11.7 33.3 67.4 26 14 L S > - 0 0 35 -2,-0.3 3,-2.0 97,-0.2 69,-0.4 -0.817 36.5 -92.9-102.6 146.7 9.4 31.4 64.9 27 15 L L T 3 S+ 0 0 85 -2,-0.3 2,-0.4 1,-0.3 69,-0.2 -0.071 114.3 16.9 -37.5 135.4 6.5 32.9 62.6 28 16 L G T 3 S+ 0 0 46 67,-3.1 -1,-0.3 1,-0.2 68,-0.1 -0.006 103.8 108.2 81.6 -33.9 3.2 32.6 64.6 29 17 L D S < S- 0 0 103 -3,-2.0 66,-1.9 -2,-0.4 -1,-0.2 -0.284 73.9 -95.0 -78.3 165.2 4.8 31.9 68.1 30 18 L Q - 0 0 137 64,-0.2 2,-0.3 -3,-0.1 -4,-0.2 -0.395 34.9-167.2 -74.5 156.1 4.9 34.3 71.2 31 19 L A E - B 0 92A 4 61,-2.3 61,-2.9 -6,-0.1 2,-0.4 -0.998 4.2-169.7-147.7 139.1 7.9 36.5 71.9 32 20 L S E - B 0 91A 43 -2,-0.3 2,-0.2 59,-0.2 59,-0.2 -0.812 2.1-167.8-144.4 96.6 8.6 38.4 75.1 33 21 L I E - B 0 90A 1 57,-1.4 57,-2.7 -2,-0.4 2,-0.4 -0.582 15.5-151.1 -79.9 141.7 11.3 41.1 75.4 34 22 L S E -AB 19 89A 26 -15,-2.1 -15,-2.5 55,-0.2 2,-0.4 -0.927 14.3-177.2-130.0 136.4 12.2 42.3 79.0 35 23 L a E -AB 18 88A 2 53,-3.0 53,-2.6 -2,-0.4 2,-0.4 -0.972 1.8-178.8-135.2 129.1 13.5 45.5 80.4 36 24 L S E -AB 17 87A 48 -19,-2.0 -19,-1.9 -2,-0.4 2,-0.3 -0.964 11.3-147.7-129.7 143.7 14.5 46.5 83.9 37 25 L S E -A 16 0A 14 49,-1.6 -21,-0.2 -2,-0.4 4,-0.1 -0.776 19.9-135.1-116.4 154.7 15.8 49.7 85.4 38 26 L S S S+ 0 0 68 -23,-0.9 2,-0.2 -2,-0.3 -1,-0.1 0.845 93.1 40.1 -72.9 -39.4 18.1 50.8 88.2 39 27 L Q S S- 0 0 84 -24,-0.1 2,-0.5 1,-0.1 -2,-0.1 -0.615 101.5 -88.5-102.7 169.9 15.7 53.5 89.5 40 27AL S - 0 0 63 -2,-0.2 46,-0.2 1,-0.2 45,-0.1 -0.656 33.0-153.9 -74.3 130.7 11.9 53.5 90.0 41 27BL L + 0 0 0 44,-3.3 8,-1.0 -2,-0.5 2,-0.8 0.549 62.9 106.7 -85.4 -1.9 10.7 54.7 86.7 42 27CL V E -J 48 0C 60 43,-0.2 2,-0.3 6,-0.2 6,-0.2 -0.559 64.5-145.4 -77.3 102.4 7.4 56.2 88.3 43 27DL H E >> -J 47 0C 30 4,-1.5 3,-1.8 -2,-0.8 4,-1.0 -0.512 29.3-100.1 -74.2 133.3 7.8 60.0 88.3 44 27EL S T 34 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.478 117.8 68.4 -15.7 -40.0 6.2 61.9 91.3 45 28 L N T 34 S- 0 0 58 2,-0.1 -1,-0.3 -34,-0.1 -2,-0.1 0.360 120.4-104.0 -68.4 -4.4 3.1 62.9 89.2 46 29 L G T <4 S+ 0 0 55 -3,-1.8 2,-0.5 1,-0.2 -2,-0.2 0.478 80.9 122.4 96.9 7.5 2.1 59.3 89.2 47 30 L K E < -J 43 0C 65 -4,-1.0 -4,-1.5 2,-0.0 2,-0.8 -0.850 52.3-145.4-109.7 124.7 3.1 58.3 85.6 48 31 L T E -J 42 0C 27 -2,-0.5 2,-0.9 -6,-0.2 -6,-0.2 -0.724 19.1-163.6 -75.6 110.6 5.5 55.4 84.6 49 32 L Y + 0 0 0 -8,-1.0 59,-2.3 -2,-0.8 2,-0.5 -0.480 32.8 139.7-101.2 71.5 7.2 56.8 81.5 50 33 L L E -E 107 0B 0 17,-1.2 2,-0.3 -2,-0.9 57,-0.2 -0.932 30.1-168.6-106.5 124.8 8.8 53.8 79.9 51 34 L H E -E 106 0B 0 55,-3.1 55,-2.4 -2,-0.5 2,-0.5 -0.832 12.1-143.7-116.4 146.3 8.5 53.7 76.1 52 35 L W E -EF 105 65B 0 13,-2.1 12,-3.0 -2,-0.3 13,-1.6 -0.954 18.0-171.9-118.8 136.9 9.2 50.9 73.6 53 36 L Y E -EF 104 63B 2 51,-2.7 51,-2.2 -2,-0.5 2,-0.4 -0.861 14.3-145.4-118.5 146.8 10.7 51.6 70.1 54 37 L L E -EF 103 62B 0 8,-2.8 8,-2.4 -2,-0.3 2,-0.7 -0.953 8.5-171.6-114.4 126.1 11.3 49.4 67.0 55 38 L Q E -E 102 0B 21 47,-2.5 47,-1.7 -2,-0.4 3,-0.1 -0.866 12.8-157.9-112.8 98.9 14.4 50.0 64.6 56 39 L K - 0 0 36 -2,-0.7 45,-0.2 4,-0.4 3,-0.1 -0.336 46.3 -74.7 -63.4 154.9 14.0 47.9 61.6 57 40 L P S S- 0 0 59 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.405 116.6 -3.1 -56.0 120.6 17.4 47.3 59.9 58 41 L G S S+ 0 0 87 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 -0.151 111.9 97.1 91.1 -45.8 18.3 50.4 58.1 59 42 L Q S S- 0 0 126 -2,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.047 82.2 -99.9 -55.0 175.9 15.2 52.5 58.9 60 43 L S - 0 0 27 1,-0.1 -4,-0.4 282,-0.1 -1,-0.1 -0.682 52.6 -79.8 -99.8 157.5 15.1 55.0 61.9 61 44 L P - 0 0 3 0, 0.0 281,-0.4 0, 0.0 2,-0.3 -0.223 45.1-158.8 -65.9 145.4 13.4 54.0 65.2 62 45 L K E -F 54 0B 76 -8,-2.4 -8,-2.8 279,-0.1 2,-0.3 -0.955 23.5-107.0-117.3 148.1 9.6 54.1 65.3 63 46 L L E +F 53 0B 6 277,-0.5 -10,-0.3 -2,-0.3 3,-0.1 -0.531 36.7 170.9 -71.1 126.3 7.5 54.3 68.6 64 47 L L E + 0 0 2 -12,-3.0 8,-2.2 1,-0.4 2,-0.4 0.898 68.4 9.1-101.0 -54.5 5.5 51.1 69.5 65 48 L I E -FG 52 71B 0 -13,-1.6 -13,-2.1 6,-0.3 -1,-0.4 -0.975 67.0-166.4-123.0 135.6 4.1 51.6 73.0 66 49 L Y S S+ 0 0 68 4,-3.4 -1,-0.2 -2,-0.4 5,-0.1 0.957 71.2 18.2-106.1 -58.9 4.1 54.9 74.8 67 50 L K S S- 0 0 37 3,-0.3 -17,-1.2 270,-0.1 4,-0.1 0.923 121.2 -72.2 -86.9 -31.5 3.4 55.3 78.5 68 51 L V S S+ 0 0 15 -19,-0.2 14,-0.2 2,-0.1 -19,-0.1 -0.064 123.3 14.4-161.6 -43.0 3.9 51.5 79.5 69 52 L S S S+ 0 0 73 12,-0.1 12,-0.6 11,-0.1 2,-0.4 0.591 97.9 98.1-116.5 -21.8 0.9 49.8 78.1 70 53 L N - 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