==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 12-MAY-12 4F57 . COMPND 2 MOLECULE: LIGHT CHAIN OF FAB OF A NEUTRALIZING ANTIBODY L1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.PAN,X.P.KONG . 438 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 39.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 1 0.2 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 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.1 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 4 8 1 3 8 2 1 1 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 3 2 2 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 1 L Q 0 0 108 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 9.5 35.8 16.8 12.3 2 2 L S - 0 0 101 1,-0.1 3,-0.1 98,-0.0 101,-0.0 -0.432 360.0-101.9 -63.6 142.4 34.6 15.0 15.4 3 3 L A - 0 0 46 1,-0.1 99,-0.3 -2,-0.1 -1,-0.1 -0.253 40.9 -93.2 -60.3 153.3 32.6 11.8 14.5 4 4 L L B -a 102 0A 6 97,-1.1 99,-1.7 86,-0.2 2,-0.7 -0.397 54.5-101.8 -59.7 149.6 28.8 11.9 14.8 5 5 L T B +B 23 0B 94 18,-3.0 18,-2.7 97,-0.2 -1,-0.1 -0.725 50.5 163.5 -92.2 115.4 27.8 10.7 18.2 6 6 L Q - 0 0 21 -2,-0.7 16,-0.2 16,-0.2 2,-0.1 -0.906 43.7 -99.9-118.4 154.5 26.5 7.2 18.6 7 7 L P - 0 0 40 0, 0.0 3,-0.1 0, 0.0 99,-0.1 -0.490 26.7-133.6 -68.1 143.6 26.2 5.0 21.8 8 8 L A S S+ 0 0 61 1,-0.2 98,-2.8 97,-0.2 2,-0.4 0.857 87.3 20.0 -62.7 -34.5 29.1 2.5 22.2 9 9 L S E +e 106 0C 26 96,-0.2 2,-0.4 138,-0.1 -1,-0.2 -0.995 56.6 172.7-148.5 125.2 26.8 -0.3 23.0 10 11 L V E +e 107 0C 24 96,-2.2 98,-1.8 -2,-0.4 2,-0.3 -0.998 19.3 176.6-130.5 131.6 23.1 -1.1 22.4 11 12 L S E +e 108 0C 26 -2,-0.4 2,-0.3 96,-0.2 98,-0.2 -0.958 11.0 166.9-137.3 158.8 21.7 -4.5 23.3 12 13 L G E -e 109 0C 1 96,-1.7 98,-2.1 -2,-0.3 3,-0.1 -0.976 36.7 -99.4-158.7 162.4 18.4 -6.5 23.4 13 14 L S > - 0 0 51 -2,-0.3 3,-2.2 96,-0.2 67,-0.2 -0.490 60.0 -76.9 -79.6 155.3 17.1 -10.0 23.7 14 15 L P T 3 S+ 0 0 78 0, 0.0 67,-0.2 0, 0.0 -1,-0.1 -0.246 121.7 24.5 -51.9 136.9 16.0 -11.9 20.6 15 16 L G T 3 S+ 0 0 57 65,-2.3 64,-0.6 1,-0.3 66,-0.1 0.139 98.9 111.8 92.4 -20.1 12.6 -10.7 19.4 16 17 L Q < - 0 0 102 -3,-2.2 64,-2.7 63,-0.2 2,-0.4 -0.295 66.0-120.0 -78.7 167.9 12.9 -7.3 21.1 17 18 L S - 0 0 76 61,-0.2 2,-0.3 62,-0.2 61,-0.2 -0.905 28.7-174.1-106.2 140.8 13.2 -3.9 19.3 18 19 L I E - C 0 77B 11 59,-2.3 59,-2.8 -2,-0.4 2,-0.4 -0.947 10.4-151.2-129.7 156.7 16.2 -1.7 19.8 19 20 L T E - C 0 76B 72 -2,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.985 2.0-156.5-128.2 138.1 17.1 1.8 18.6 20 21 L I E - C 0 75B 0 55,-3.0 55,-2.4 -2,-0.4 2,-0.2 -0.969 14.9-147.0-114.5 123.0 20.5 3.4 17.8 21 22 L S E - C 0 74B 49 -2,-0.5 2,-0.3 53,-0.2 53,-0.2 -0.519 11.0-168.6 -87.0 154.8 20.8 7.1 18.0 22 23 L a E - C 0 73B 0 51,-1.8 51,-2.8 -2,-0.2 2,-0.6 -0.843 10.2-168.7-145.8 98.6 23.2 9.2 15.8 23 24 L T E +BC 5 72B 52 -18,-2.7 -18,-3.0 -2,-0.3 49,-0.2 -0.846 18.9 149.8-103.3 119.5 23.5 12.8 16.9 24 25 L G - 0 0 10 47,-3.1 2,-0.2 -2,-0.6 47,-0.1 -0.096 40.0-100.8-111.5-142.5 25.2 15.4 14.7 25 26 L T > > - 0 0 67 -2,-0.1 5,-2.6 45,-0.1 3,-1.9 -0.758 42.4 -83.4-134.2-175.7 24.6 19.1 14.4 26 27 L S T 3 5S+ 0 0 86 1,-0.3 44,-0.0 -2,-0.2 45,-0.0 0.595 123.4 70.0 -70.9 -5.9 22.8 21.5 12.1 27 27AL S T 3 5S- 0 0 51 4,-0.1 68,-2.4 67,-0.1 69,-0.3 0.492 123.5 -8.5 -82.0 -8.2 26.1 21.2 10.0 28 27BL D T X>5S+ 0 0 13 -3,-1.9 3,-1.9 66,-0.2 4,-1.7 0.119 136.5 27.3-149.8 -92.3 25.3 17.6 9.1 29 27CL V T 345S+ 0 0 0 1,-0.3 3,-0.2 2,-0.2 -3,-0.2 0.900 131.0 41.0 -53.7 -44.7 22.5 15.4 10.4 30 28 L G T 34 - 0 0 56 4,-0.5 3,-2.4 -2,-0.4 45,-0.1 -0.634 45.1 -83.5 -85.9 150.7 30.3 -7.9 10.7 42 40 L P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.281 116.6 13.1 -59.0 132.7 33.7 -8.7 12.1 43 41 L G T 3 S+ 0 0 84 1,-0.3 2,-0.2 -3,-0.1 -2,-0.0 0.327 114.2 95.3 87.5 -5.0 36.2 -9.5 9.4 44 42 L E S < S- 0 0 125 -3,-2.4 -1,-0.3 1,-0.1 3,-0.1 -0.661 77.0-101.3-117.5 168.2 33.9 -8.1 6.7 45 43 L A - 0 0 27 -2,-0.2 -4,-0.5 1,-0.1 286,-0.1 -0.455 49.2 -89.4 -82.4 158.2 33.3 -4.9 4.8 46 44 L P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.347 39.1-151.5 -64.3 151.1 30.5 -2.5 5.7 47 45 L K E -G 39 0C 114 -8,-2.3 -8,-2.8 281,-0.1 2,-0.2 -0.994 17.9-116.9-126.5 133.5 27.1 -3.0 4.0 48 46 L A E +G 38 0C 8 -2,-0.4 -10,-0.2 279,-0.3 3,-0.1 -0.482 39.8 161.3 -65.2 129.1 24.6 -0.3 3.3 49 47 L I E + 0 0 0 -12,-2.5 2,-0.3 1,-0.4 -11,-0.2 0.606 64.7 19.3-122.2 -23.2 21.3 -0.8 5.1 50 48 L I E -G 37 0C 0 -13,-1.4 -13,-2.6 6,-0.2 -1,-0.4 -0.993 62.6-177.6-145.0 141.2 19.6 2.6 5.1 51 49 L F B > +J 55 0D 36 4,-2.6 4,-2.1 -2,-0.3 3,-0.3 -0.984 64.6 16.8-139.6 158.0 20.1 5.7 2.9 52 50 L D T 4 S- 0 0 39 -2,-0.3 2,-2.1 1,-0.2 -16,-0.2 0.914 122.8 -70.3 45.7 50.3 18.6 9.2 2.7 53 51 L V T 4 S+ 0 0 14 -18,-3.0 -1,-0.2 1,-0.2 21,-0.1 -0.343 128.7 23.8 75.6 -54.3 17.2 8.8 6.3 54 52 L T T 4 S+ 0 0 83 -2,-2.1 12,-0.4 -3,-0.3 2,-0.3 0.524 88.5 110.1-122.9 -10.8 14.5 6.2 5.6 55 53 L N B < -J 51 0D 68 -4,-2.1 -4,-2.6 -3,-0.1 -2,-0.1 -0.562 48.0-151.1 -85.5 135.4 15.2 4.2 2.5 56 54 L R - 0 0 116 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.869 16.2-129.7 -98.5 129.7 16.1 0.5 2.4 57 55 L P > - 0 0 15 0, 0.0 3,-1.4 0, 0.0 2,-0.2 -0.320 44.1 -87.5 -62.7 158.3 18.3 -0.9 -0.4 58 56 L S T 3 S+ 0 0 126 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.498 116.9 36.7 -70.3 141.7 16.8 -4.1 -2.0 59 57 L G T 3 S+ 0 0 84 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.174 88.8 118.6 99.8 -16.1 17.8 -7.2 -0.1 60 58 L I S < S- 0 0 11 -3,-1.4 -1,-0.3 1,-0.1 -4,-0.1 -0.756 71.6-111.2 -90.5 124.4 17.7 -5.5 3.3 61 59 L S > - 0 0 45 -2,-0.5 3,-1.6 1,-0.2 -1,-0.1 -0.136 16.4-129.3 -48.3 138.4 15.2 -6.9 5.8 62 60 L N T 3 S+ 0 0 126 1,-0.3 -1,-0.2 -6,-0.0 -2,-0.0 0.342 98.9 85.6 -75.8 9.6 12.2 -4.7 6.5 63 61 L R T 3 S+ 0 0 42 14,-0.1 15,-2.2 16,-0.1 2,-0.5 0.634 79.8 78.4 -78.2 -14.1 13.0 -5.2 10.2 64 62 L F E < +D 77 0B 1 -3,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.828 60.9 167.4 -96.2 129.6 15.4 -2.2 9.7 65 63 L S E -D 76 0B 61 11,-2.0 11,-3.0 -2,-0.5 2,-0.3 -0.994 17.6-152.3-141.1 150.5 14.0 1.3 9.6 66 64 L G E +D 75 0B 11 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.890 17.3 163.3-123.8 150.5 15.5 4.7 9.7 67 65 L S E -D 74 0B 58 7,-2.1 7,-2.4 -2,-0.3 2,-0.3 -0.910 14.4-157.4-151.7 178.3 14.3 8.1 10.9 68 66 L K E +D 73 0B 49 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.946 10.4 174.4-164.3 137.4 15.6 11.6 11.9 69 67 L F E > -D 72 0B 190 3,-2.7 3,-1.4 -2,-0.3 2,-0.2 -0.882 65.3 -32.0-152.0 125.5 14.5 14.5 13.9 70 68 L G T 3 S- 0 0 46 -2,-0.3 -45,-0.1 1,-0.2 -39,-0.0 -0.548 126.0 -22.8 65.3-133.1 16.4 17.7 14.7 71 69 L N T 3 S+ 0 0 68 -2,-0.2 -47,-3.1 -47,-0.1 2,-0.5 0.280 122.7 84.9 -92.2 9.9 20.1 16.7 15.0 72 70 L T E < -CD 23 69B 45 -3,-1.4 -3,-2.7 -49,-0.2 2,-0.3 -0.955 52.9-169.7-123.6 125.5 19.5 13.1 15.7 73 71 L A E -CD 22 68B 0 -51,-2.8 -51,-1.8 -2,-0.5 2,-0.4 -0.789 14.1-154.5-103.3 153.0 18.9 10.2 13.3 74 72 L S E -CD 21 67B 26 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.5 -0.993 12.8-158.0-134.7 136.4 17.8 6.8 14.5 75 73 L L E -CD 20 66B 0 -55,-2.4 -55,-3.0 -2,-0.4 2,-0.4 -0.943 16.9-163.9-104.3 128.8 18.1 3.3 13.3 76 74 L T E -CD 19 65B 37 -11,-3.0 -11,-2.0 -2,-0.5 2,-0.5 -0.950 6.7-168.3-114.4 134.1 15.5 0.9 14.7 77 75 L I E -CD 18 64B 0 -59,-2.8 -59,-2.3 -2,-0.4 3,-0.3 -0.974 11.2-166.6-121.2 115.6 15.9 -2.9 14.4 78 76 L S + 0 0 46 -15,-2.2 -61,-0.2 -2,-0.5 -62,-0.1 -0.636 65.7 23.3 -98.4 160.4 12.8 -4.9 15.3 79 77 L G S S- 0 0 25 -64,-0.6 -1,-0.2 -2,-0.2 -62,-0.2 0.913 89.8-138.3 54.6 48.7 12.5 -8.6 16.0 80 78 L L - 0 0 2 -64,-2.7 -65,-2.3 -3,-0.3 2,-0.3 -0.033 25.3-171.2 -42.3 128.7 16.1 -8.8 17.0 81 79 L Q > - 0 0 107 -67,-0.2 3,-2.1 -3,-0.1 4,-0.3 -0.848 36.7-104.5-123.9 161.4 17.8 -11.9 15.5 82 80 L A G > S+ 0 0 57 -2,-0.3 3,-1.8 1,-0.3 27,-0.2 0.868 116.9 59.1 -50.0 -43.8 21.2 -13.5 16.1 83 81 L E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.586 90.4 73.0 -66.6 -11.2 22.5 -12.3 12.7 84 82 L D G < + 0 0 1 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.626 66.2 109.2 -80.0 -14.6 21.9 -8.7 13.7 85 83 L E < + 0 0 30 -3,-1.8 2,-0.3 -4,-0.3 23,-0.2 -0.545 52.9 100.5 -66.7 120.1 24.8 -8.7 16.1 86 84 L A E S- H 0 107C 5 21,-0.8 21,-2.8 -2,-0.4 2,-0.4 -0.945 77.0 -72.3-179.0 176.2 27.3 -6.4 14.4 87 85 L D E -FH 40 106C 52 -47,-2.6 -47,-2.9 -2,-0.3 2,-0.4 -0.820 43.0-157.6 -95.1 140.6 28.7 -2.9 14.4 88 86 L Y E -FH 39 105C 0 17,-2.6 17,-2.1 -2,-0.4 2,-0.4 -0.971 7.6-170.5-124.5 134.0 26.5 -0.2 13.0 89 87 L Y E -F 38 0C 9 -51,-2.5 -51,-2.5 -2,-0.4 2,-0.3 -0.970 8.0-156.9-124.0 135.9 27.6 3.2 11.6 90 88 L a E -F 37 0C 0 -2,-0.4 12,-3.4 -53,-0.2 2,-0.3 -0.720 12.5-171.5 -99.2 160.8 25.7 6.3 10.6 91 89 L A E -FI 36 101C 0 -55,-2.0 -55,-2.6 -2,-0.3 2,-0.4 -0.983 1.8-166.2-150.4 147.4 27.0 8.9 8.2 92 90 L A E -FI 35 100C 0 8,-2.2 8,-2.7 -2,-0.3 -57,-0.2 -0.994 25.0-116.6-140.3 140.7 25.8 12.3 7.1 93 91 L Y E - I 0 99C 10 -59,-1.3 2,-0.3 -2,-0.4 -62,-0.2 -0.471 40.8-148.9 -66.1 144.8 26.5 14.8 4.4 94 92 L T > - 0 0 10 4,-2.3 3,-2.0 -2,-0.1 -66,-0.2 -0.744 27.6-107.6-120.7 166.6 27.8 18.0 5.8 95 93 L V T 3 S+ 0 0 83 -68,-2.4 -67,-0.1 1,-0.3 -2,-0.0 0.599 117.6 63.9 -65.9 -9.8 27.8 21.7 5.0 96 94 L A T 3 S- 0 0 63 -69,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.268 119.3-109.7 -93.8 8.3 31.5 21.4 3.9 97 95 L S S < S+ 0 0 27 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.723 82.7 120.1 68.4 24.8 30.4 19.0 1.1 98 95AL T - 0 0 26 222,-0.1 -4,-2.3 -4,-0.1 2,-0.5 -0.618 65.7-120.9-109.6 171.1 32.0 16.1 2.9 99 96 L L E -I 93 0C 5 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.974 28.1-163.4-113.1 130.2 30.6 12.8 4.3 100 97 L L E -I 92 0C 33 -8,-2.7 -8,-2.2 -2,-0.5 2,-0.2 -0.959 4.4-148.5-122.9 124.5 31.1 12.3 8.0 101 98 L F E -I 91 0C 5 -2,-0.5 -97,-1.1 -10,-0.2 -10,-0.3 -0.606 14.3-123.9 -89.0 147.0 30.7 9.0 9.9 102 99 L G B -a 4 0A 1 -12,-3.4 157,-0.3 -99,-0.3 -97,-0.2 -0.311 34.0-102.1 -73.3 170.6 29.6 8.4 13.4 103 100 L G - 0 0 45 -99,-1.7 -98,-0.1 1,-0.1 -1,-0.1 0.607 63.2-114.8 -75.3 -12.6 31.7 6.5 15.9 104 101 L G - 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