==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-JUN-13 4L8N . COMPND 2 MOLECULE: PDZ DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES DISTASONIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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-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 . 56 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 13.6 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 1 3 0 1 1 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 3 1 3 2 2 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 1 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 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 25 A N 0 0 114 0, 0.0 2,-0.3 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 -42.6 -53.1 -13.2 4.2 2 26 A T - 0 0 103 0, 0.0 95,-2.2 0, 0.0 2,-0.5 -0.781 360.0-125.7 -99.6 141.7 -52.5 -9.8 6.1 3 27 A S E -A 96 0A 72 -2,-0.3 93,-0.2 93,-0.2 2,-0.2 -0.832 16.5-148.0 -99.7 127.9 -50.9 -6.8 4.1 4 28 A I E -A 95 0A 97 91,-2.2 91,-2.5 -2,-0.5 2,-0.3 -0.630 16.2-161.2 -86.5 144.6 -47.8 -5.1 5.5 5 29 A C E +A 94 0A 42 -2,-0.2 2,-0.3 89,-0.2 89,-0.2 -0.962 11.8 178.7-135.4 153.6 -47.2 -1.3 4.9 6 30 A R E -A 93 0A 118 87,-2.0 87,-2.2 -2,-0.3 2,-0.4 -0.939 27.2-123.8-144.2 157.1 -44.4 1.2 4.9 7 31 A L - 0 0 20 -2,-0.3 2,-1.3 2,-0.2 85,-0.1 -0.855 35.4-114.7-104.8 142.6 -43.7 4.8 4.3 8 32 A G S S+ 0 0 0 -2,-0.4 22,-2.8 83,-0.3 2,-0.3 -0.071 86.9 61.2 -72.7 39.7 -41.0 5.5 1.7 9 33 A F E -B 29 0B 14 -2,-1.3 2,-0.3 20,-0.3 20,-0.2 -0.989 66.1-134.1-159.7 155.3 -38.6 7.2 4.1 10 34 A T E +B 28 0B 51 18,-2.5 17,-2.5 -2,-0.3 18,-1.3 -0.804 34.4 178.2-105.5 147.4 -36.5 6.8 7.3 11 35 A Y E -B 26 0B 63 -2,-0.3 2,-0.3 15,-0.3 15,-0.2 -0.946 22.7-144.0-146.0 169.8 -36.6 9.5 10.0 12 36 A D E -B 25 0B 38 13,-2.0 13,-2.4 -2,-0.3 2,-0.9 -0.899 30.5-117.5-124.4 157.8 -35.4 10.7 13.5 13 37 A I E -B 24 0B 47 -2,-0.3 8,-0.1 11,-0.2 9,-0.0 -0.908 54.5-119.8 -94.3 101.6 -37.1 12.7 16.2 14 38 A S - 0 0 0 9,-2.2 8,-2.5 -2,-0.9 9,-0.2 -0.236 35.5-177.4 -52.0 131.9 -34.5 15.6 15.9 15 39 A Q + 0 0 126 6,-0.2 2,-0.2 7,-0.1 -1,-0.1 0.384 51.7 114.9-106.3 -4.5 -32.4 16.5 18.9 16 40 A S - 0 0 17 3,-0.3 3,-0.4 1,-0.1 6,-0.1 -0.494 58.7-151.5 -71.3 132.9 -30.9 19.4 17.0 17 41 A K S S+ 0 0 133 -2,-0.2 4,-0.2 1,-0.2 -1,-0.1 0.660 94.6 45.9 -77.7 -19.4 -31.7 22.9 18.4 18 42 A N S S+ 0 0 6 1,-0.2 119,-2.7 266,-0.1 120,-0.3 0.418 111.0 50.2-107.2 -1.4 -31.4 24.6 14.9 19 43 A W S S- 0 0 5 -3,-0.4 -3,-0.3 117,-0.2 -1,-0.2 -0.866 124.5 -40.4-147.2 109.2 -33.3 22.1 12.7 20 44 A G S > S- 0 0 2 -2,-0.3 3,-1.5 1,-0.2 -6,-0.4 0.831 72.6-150.6 42.3 53.7 -36.8 20.8 13.4 21 45 A N T 3 S- 0 0 53 1,-0.3 -6,-0.2 -4,-0.2 -1,-0.2 -0.278 73.1 -3.9 -57.5 129.3 -36.3 20.3 17.2 22 46 A N T 3 S+ 0 0 80 -8,-2.5 -1,-0.3 1,-0.2 -7,-0.1 0.769 114.8 105.6 53.1 37.8 -38.4 17.5 18.7 23 47 A K S < S- 0 0 40 -3,-1.5 -9,-2.2 -9,-0.2 2,-0.2 -0.914 84.7 -87.1-132.5 155.8 -40.1 16.9 15.3 24 48 A P E -B 13 0B 0 0, 0.0 22,-2.6 0, 0.0 2,-0.4 -0.525 41.7-166.6 -70.5 133.0 -39.6 14.1 12.7 25 49 A V E -BC 12 45B 0 -13,-2.4 -13,-2.0 -2,-0.2 2,-0.3 -0.996 22.2-122.5-120.8 123.4 -36.7 14.9 10.3 26 50 A I E +B 11 0B 0 18,-2.6 17,-3.6 -2,-0.4 -15,-0.3 -0.526 29.1 177.5 -70.9 126.8 -36.3 12.7 7.2 27 51 A K E + 0 0 32 -17,-2.5 2,-0.3 1,-0.3 421,-0.3 0.735 64.8 2.3 -97.5 -39.3 -32.9 11.0 6.9 28 52 A S E -B 10 0B 7 -18,-1.3 -18,-2.5 419,-0.1 2,-0.4 -0.980 59.1-136.1-154.7 149.5 -33.4 8.9 3.7 29 53 A I E -B 9 0B 25 -2,-0.3 -20,-0.3 -20,-0.2 -21,-0.1 -0.873 26.8-124.0-107.2 134.7 -35.9 8.3 1.0 30 54 A I > - 0 0 39 -22,-2.8 3,-1.5 -2,-0.4 6,-0.4 -0.688 33.5-118.3 -80.6 121.0 -36.6 4.8 -0.2 31 55 A P T 3 S+ 0 0 27 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.293 95.0 17.9 -61.2 147.4 -36.0 4.6 -4.0 32 56 A Y T 3 S+ 0 0 105 1,-0.2 2,-0.1 2,-0.1 -2,-0.0 0.505 100.4 130.5 70.1 12.9 -39.0 3.6 -6.2 33 57 A S S <> S- 0 0 8 -3,-1.5 4,-1.7 -25,-0.2 -1,-0.2 -0.365 70.9-117.6 -92.0 168.3 -41.4 4.5 -3.3 34 58 A S H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 57,-0.2 0.871 115.3 57.6 -73.4 -37.9 -44.5 6.7 -3.2 35 59 A A H >>S+ 0 0 0 2,-0.2 5,-2.2 1,-0.2 4,-0.8 0.906 107.1 50.5 -58.2 -40.6 -42.9 9.2 -0.7 36 60 A E H >45S+ 0 0 92 -6,-0.4 3,-1.1 1,-0.2 -2,-0.2 0.954 112.4 44.8 -58.5 -54.7 -40.1 9.6 -3.4 37 61 A Q H 3<5S+ 0 0 168 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.834 107.4 59.8 -60.8 -35.9 -42.6 10.3 -6.2 38 62 A A H 3<5S- 0 0 39 -4,-2.5 -1,-0.2 53,-0.1 -2,-0.2 0.674 121.6-105.7 -70.3 -17.7 -44.7 12.7 -3.9 39 63 A G T <<5 + 0 0 19 -3,-1.1 2,-0.3 -4,-0.8 -3,-0.2 0.622 61.9 158.1 102.5 16.8 -41.6 14.9 -3.5 40 64 A I < - 0 0 3 -5,-2.2 -1,-0.3 4,-0.0 2,-0.3 -0.591 22.9-168.1 -71.0 128.5 -40.4 14.1 0.1 41 65 A K > - 0 0 132 -2,-0.3 3,-1.5 1,-0.1 -15,-0.2 -0.840 28.6 -80.3-120.1 155.8 -36.7 15.0 0.2 42 66 A K T 3 S+ 0 0 69 -2,-0.3 -15,-0.2 1,-0.2 3,-0.1 -0.254 113.4 20.7 -52.6 140.1 -33.9 14.4 2.8 43 67 A Y T 3 S+ 0 0 23 -17,-3.6 -1,-0.2 1,-0.3 -16,-0.1 0.396 85.5 150.5 74.1 11.4 -33.8 16.7 5.9 44 68 A D < - 0 0 3 -3,-1.5 -18,-2.6 -18,-0.1 2,-0.5 -0.363 42.4-132.9 -65.2 145.2 -37.5 17.6 5.4 45 69 A V E -CD 25 79B 0 34,-3.1 34,-1.8 -20,-0.2 2,-0.8 -0.932 5.4-139.5-107.4 120.8 -39.2 18.4 8.7 46 70 A I E + D 0 78B 0 -22,-2.6 32,-0.2 -2,-0.5 3,-0.1 -0.721 29.2 169.8 -78.9 108.0 -42.7 16.9 9.4 47 71 A E E + 0 0 51 30,-3.0 7,-2.5 -2,-0.8 8,-0.4 0.860 64.2 10.4 -86.2 -45.3 -44.6 19.8 11.0 48 72 A E E -ED 53 77B 63 29,-1.3 29,-2.3 5,-0.3 2,-0.5 -0.976 60.1-148.1-137.2 149.6 -48.1 18.3 10.9 49 73 A I E > S-ED 52 76B 1 3,-2.6 3,-2.8 -2,-0.3 27,-0.2 -0.991 85.6 -20.7-118.9 122.8 -49.6 14.8 10.3 50 74 A N T 3 S- 0 0 57 25,-3.1 26,-0.1 -2,-0.5 -1,-0.1 0.743 131.4 -48.3 47.7 34.0 -53.1 14.8 8.7 51 75 A G T 3 S+ 0 0 47 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.140 116.0 112.2 96.7 -16.4 -53.6 18.3 10.0 52 76 A V E < S-E 49 0B 48 -3,-2.8 -3,-2.6 2,-0.0 -1,-0.2 -0.807 70.0-122.1 -93.1 123.4 -52.4 17.7 13.6 53 77 A P E > -E 48 0B 27 0, 0.0 3,-0.6 0, 0.0 -5,-0.3 -0.341 15.0-130.8 -62.1 139.2 -49.1 19.5 14.6 54 78 A V G > S+ 0 0 5 -7,-2.5 3,-0.6 1,-0.2 -6,-0.1 0.630 106.3 61.1 -67.3 -16.7 -46.4 17.0 15.8 55 79 A T G 3 S+ 0 0 97 -8,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.875 96.5 59.0 -75.4 -39.3 -45.8 19.2 18.9 56 80 A E G < S+ 0 0 148 -3,-0.6 2,-0.3 2,-0.1 -1,-0.2 0.137 105.8 59.9 -77.5 17.3 -49.5 18.7 20.1 57 81 A V S < S- 0 0 35 -3,-0.6 5,-0.1 -5,-0.1 2,-0.1 -0.979 92.9 -95.4-146.8 148.6 -48.9 14.9 20.2 58 82 A S > - 0 0 51 -2,-0.3 3,-0.9 1,-0.1 4,-0.2 -0.347 26.2-125.2 -68.3 148.5 -46.5 12.5 22.1 59 83 A V G > S+ 0 0 71 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.825 109.6 59.7 -58.8 -37.4 -43.2 11.3 20.5 60 84 A D G 3 S+ 0 0 133 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.734 104.7 48.5 -67.1 -27.5 -44.3 7.6 21.2 61 85 A E G <> S+ 0 0 97 -3,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.336 85.1 89.9-100.6 9.6 -47.5 7.9 19.1 62 86 A I H <> S+ 0 0 2 -3,-1.1 4,-1.8 -4,-0.2 5,-0.2 0.933 85.3 52.3 -70.4 -45.7 -45.8 9.6 15.9 63 87 A P H > S+ 0 0 53 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.861 112.3 45.9 -59.3 -35.9 -45.1 6.1 14.2 64 88 A Q H 4 S+ 0 0 123 -4,-0.3 -2,-0.2 2,-0.2 3,-0.1 0.856 112.4 50.4 -70.7 -39.2 -48.7 5.0 14.6 65 89 A L H < S+ 0 0 52 -4,-1.6 -1,-0.2 1,-0.2 -3,-0.1 0.751 110.0 51.2 -69.6 -28.2 -50.0 8.4 13.3 66 90 A L H < S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.713 117.8 38.8 -81.2 -25.1 -47.7 8.1 10.3 67 91 A N S < S- 0 0 61 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.679 85.3-173.5-123.1 72.5 -49.0 4.6 9.5 68 92 A P - 0 0 25 0, 0.0 -3,-0.1 0, 0.0 6,-0.0 -0.255 23.1-138.5 -68.1 158.1 -52.8 4.8 10.2 69 93 A A S S+ 0 0 103 1,-0.1 -5,-0.0 -5,-0.0 0, 0.0 0.984 98.8 29.2 -75.9 -64.3 -55.0 1.7 10.1 70 94 A G S S+ 0 0 84 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.853 112.3 71.5 -64.1 -45.4 -58.2 3.0 8.3 71 95 A R - 0 0 114 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.339 52.3-177.7 -72.5 154.9 -56.4 5.7 6.2 72 96 A N + 0 0 95 1,-0.3 20,-0.6 -2,-0.1 2,-0.5 0.611 69.4 56.2-122.3 -34.1 -54.1 4.8 3.3 73 97 A D E S- F 0 91B 45 18,-0.2 2,-0.6 19,-0.0 -1,-0.3 -0.934 73.3-150.7-107.3 120.7 -52.8 8.2 2.1 74 98 A V E - F 0 90B 0 16,-2.6 16,-3.3 -2,-0.5 2,-0.5 -0.858 5.7-146.6 -97.2 119.8 -51.0 10.4 4.7 75 99 A L E - F 0 89B 51 -2,-0.6 -25,-3.1 14,-0.3 2,-0.4 -0.755 21.4-165.1 -85.2 121.9 -51.3 14.2 4.3 76 100 A L E -DF 49 88B 0 12,-3.5 12,-3.0 -2,-0.5 2,-0.7 -0.897 21.1-148.8-115.9 139.6 -48.0 15.8 5.5 77 101 A T E -DF 48 87B 4 -29,-2.3 -30,-3.0 -2,-0.4 -29,-1.3 -0.950 32.8-170.3-102.1 110.7 -47.2 19.4 6.4 78 102 A I E -DF 46 86B 0 8,-2.8 8,-0.6 -2,-0.7 2,-0.3 -0.813 17.5-170.0-108.2 150.3 -43.6 19.8 5.5 79 103 A S E +D 45 0B 15 -34,-1.8 -34,-3.1 -2,-0.3 2,-0.2 -0.982 21.1 141.1-133.0 144.2 -40.9 22.5 6.1 80 104 A N - 0 0 17 3,-2.1 91,-0.1 -2,-0.3 -36,-0.1 -0.820 66.7 -71.9-155.4-165.2 -37.4 22.7 4.6 81 105 A L S S+ 0 0 5 89,-0.5 90,-0.1 -2,-0.2 89,-0.1 0.659 126.1 56.6 -79.0 -16.5 -35.0 25.4 3.2 82 106 A S S S+ 0 0 82 88,-0.3 -1,-0.2 1,-0.3 89,-0.1 0.919 123.2 2.3 -79.6 -46.5 -37.1 25.8 0.0 83 107 A S - 0 0 29 1,-0.1 -3,-2.1 3,-0.0 -1,-0.3 -0.993 54.2-137.9-142.6 152.6 -40.3 26.7 1.8 84 108 A P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.692 95.7 20.6 -80.1 -17.4 -41.6 27.3 5.4 85 109 A S + 0 0 78 -6,-0.1 2,-0.3 2,-0.0 -6,-0.2 -0.982 64.9 160.9-152.0 144.5 -44.8 25.3 4.7 86 110 A K E -F 78 0B 74 -8,-0.6 -8,-2.8 -2,-0.3 2,-0.5 -0.932 30.6-132.6-163.6 134.9 -45.9 22.7 2.1 87 111 A Q E +F 77 0B 111 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.842 27.6 179.4 -94.6 126.7 -48.8 20.2 1.8 88 112 A V E -F 76 0B 8 -12,-3.0 -12,-3.5 -2,-0.5 2,-0.8 -0.969 18.3-154.3-131.4 119.4 -47.6 16.7 0.7 89 113 A L E -F 75 0B 79 -2,-0.4 2,-0.6 -14,-0.2 -14,-0.3 -0.825 16.5-162.0 -92.0 113.6 -50.0 13.7 0.2 90 114 A V E -F 74 0B 1 -16,-3.3 -16,-2.6 -2,-0.8 2,-0.1 -0.854 6.0-147.7-102.2 119.1 -47.9 10.5 0.7 91 115 A K E -F 73 0B 114 -2,-0.6 -83,-0.3 -18,-0.2 -56,-0.2 -0.470 25.0-113.8 -77.3 148.4 -49.4 7.3 -0.7 92 116 A K - 0 0 22 -20,-0.6 2,-0.6 -2,-0.1 -85,-0.2 -0.529 13.3-133.3 -85.8 155.8 -48.5 4.1 1.3 93 117 A D E -A 6 0A 39 -87,-2.2 -87,-2.0 -2,-0.2 2,-0.3 -0.949 34.0-179.7-112.8 109.0 -46.3 1.2 -0.0 94 118 A C E +A 5 0A 62 -2,-0.6 2,-0.3 -89,-0.2 -89,-0.2 -0.820 11.8 174.2-113.4 150.7 -48.1 -2.0 0.8 95 119 A K E -A 4 0A 64 -91,-2.5 -91,-2.2 -2,-0.3 2,-0.1 -0.969 39.8 -93.0-147.6 157.4 -47.2 -5.7 0.1 96 120 A K E > -A 3 0A 74 -2,-0.3 3,-1.8 -93,-0.2 -93,-0.2 -0.478 36.4-120.7 -72.8 143.3 -48.7 -9.1 1.1 97 121 A S T 3 S+ 0 0 56 -95,-2.2 -1,-0.1 1,-0.3 -94,-0.1 0.779 113.6 45.8 -54.2 -33.8 -47.2 -10.6 4.4 98 122 A N T 3 S+ 0 0 29 -96,-0.1 210,-2.7 217,-0.1 2,-0.3 0.258 89.1 117.7 -94.3 6.8 -46.0 -13.8 2.4 99 123 A A E < -G 307 0C 2 -3,-1.8 2,-0.5 208,-0.2 208,-0.2 -0.605 46.3-163.1 -83.9 133.7 -44.5 -11.8 -0.6 100 124 A I E -G 306 0C 30 206,-2.4 206,-3.0 -2,-0.3 2,-0.2 -0.990 20.1-150.8-112.7 116.1 -40.8 -12.0 -1.4 101 125 A T > - 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