==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 07-NOV-11 3UJ3 . COMPND 2 MOLECULE: DNA-INVERTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE MU; . AUTHOR C.J.RITACCO,J.WANG,S.KAMTEKAR,T.A.STEITZ . 124 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 2 X L 0 0 76 0, 0.0 26,-4.5 0, 0.0 27,-0.6 0.000 360.0 360.0 360.0 -28.0 34.6 30.7 78.8 2 3 X I E -ab 28 57A 15 54,-1.1 56,-2.2 24,-0.2 2,-0.2 -0.968 360.0-150.1-123.0 133.1 35.4 28.3 81.7 3 4 X G E - b 0 58A 4 25,-1.6 2,-0.3 -2,-0.4 56,-0.1 -0.661 12.1-175.5-108.5 154.7 33.2 27.4 84.6 4 5 X Y - 0 0 6 54,-1.0 56,-0.5 -2,-0.2 2,-0.4 -0.990 3.4-168.1-149.1 136.9 33.5 26.4 88.3 5 6 X V E -e 31 0B 3 25,-2.5 27,-1.5 -2,-0.3 2,-0.4 -0.964 7.1-153.0-131.4 140.8 31.1 25.4 91.0 6 7 X R E +e 32 0B 8 -2,-0.4 2,-0.3 58,-0.2 27,-0.1 -0.932 22.6 156.2-118.2 136.5 31.5 24.9 94.8 7 8 X V - 0 0 18 25,-1.0 27,-0.4 -2,-0.4 28,-0.2 -0.974 39.9-121.8-154.4 162.9 29.5 22.6 97.2 8 9 X A S S- 0 0 48 -2,-0.3 26,-1.7 25,-0.2 27,-0.8 0.999 77.6 -52.3 -73.2 -76.0 29.6 20.8 100.5 9 10 X T S S+ 0 0 94 24,-0.2 2,-0.4 25,-0.1 24,-0.0 0.460 109.6 86.7-144.6 -21.4 29.1 17.0 100.0 10 11 X N - 0 0 58 1,-0.1 4,-0.2 2,-0.0 -2,-0.1 -0.738 50.5-168.2 -91.5 137.6 25.9 16.6 97.9 11 12 X D + 0 0 98 -2,-0.4 4,-0.2 1,-0.1 -1,-0.1 0.050 66.5 83.9-117.8 24.5 26.2 16.7 94.1 12 13 X Q S S+ 0 0 123 2,-0.1 4,-0.5 1,-0.1 3,-0.3 0.736 88.1 55.2 -93.2 -28.7 22.6 16.9 92.9 13 14 X N S >> S+ 0 0 64 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.809 100.9 58.6 -72.0 -33.0 22.3 20.7 93.3 14 15 X T H 3> S+ 0 0 1 1,-0.2 4,-3.7 -4,-0.2 -1,-0.2 0.714 92.1 71.0 -68.1 -22.5 25.4 21.3 91.1 15 16 X D H 3> S+ 0 0 79 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.842 103.6 39.9 -63.6 -36.4 23.6 19.6 88.3 16 17 X L H <> S+ 0 0 127 -3,-0.7 4,-0.8 -4,-0.5 -1,-0.2 0.527 114.9 53.3 -91.3 -9.4 21.2 22.5 87.9 17 18 X Q H X S+ 0 0 30 -4,-0.6 4,-1.8 2,-0.2 3,-0.3 0.895 109.3 48.6 -76.6 -52.4 24.1 24.9 88.5 18 19 X R H X S+ 0 0 102 -4,-3.7 4,-2.4 1,-0.2 -2,-0.2 0.864 107.6 57.6 -50.0 -44.9 26.0 23.2 85.7 19 20 X N H X S+ 0 0 92 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.913 109.1 42.4 -53.7 -50.6 22.9 23.5 83.5 20 21 X A H X S+ 0 0 38 -4,-0.8 4,-1.4 -3,-0.3 -1,-0.2 0.745 111.2 56.6 -74.0 -25.9 22.7 27.3 83.8 21 22 X L H < S+ 0 0 7 -4,-1.8 4,-0.4 2,-0.2 3,-0.2 0.957 108.5 46.2 -65.7 -53.0 26.4 27.7 83.3 22 23 X V H >X S+ 0 0 87 -4,-2.4 3,-1.9 1,-0.2 4,-0.5 0.929 112.3 51.1 -52.9 -51.0 26.4 25.8 80.0 23 24 X C H 3< S+ 0 0 121 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.811 104.6 57.7 -57.2 -34.0 23.3 27.9 78.9 24 25 X A T 3< S- 0 0 65 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.522 127.2 -98.2 -76.5 -6.9 25.2 31.1 79.8 25 26 X G T <4 + 0 0 55 -3,-1.9 2,-0.3 -4,-0.4 -3,-0.2 0.922 66.8 140.7 89.8 87.0 27.9 30.0 77.4 26 27 X C < - 0 0 26 -4,-0.5 -24,-0.2 1,-0.1 -1,-0.2 -0.970 37.6-145.1-151.6 164.2 31.0 28.2 78.7 27 28 X E + 0 0 166 -26,-4.5 -25,-0.2 -2,-0.3 2,-0.2 0.932 66.6 40.1 -99.3 -58.8 33.3 25.3 77.7 28 29 X Q B -a 2 0A 78 -27,-0.6 -25,-1.6 1,-0.0 2,-0.4 -0.563 64.6-123.3-111.4 164.3 34.8 23.3 80.5 29 30 X I + 0 0 71 -2,-0.2 2,-0.3 -27,-0.1 -25,-0.1 -0.829 25.3 167.6-110.2 135.4 33.7 21.7 83.9 30 31 X F + 0 0 28 -2,-0.4 -25,-2.5 -27,-0.1 2,-0.3 -0.938 4.5 166.2-146.2 124.9 35.1 22.2 87.4 31 32 X E E -e 5 0B 89 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -1.000 11.0-166.0-141.7 139.9 33.6 21.1 90.8 32 33 X D E -e 6 0B 18 -27,-1.5 -25,-1.0 -2,-0.3 2,-0.3 -0.806 20.5-118.7-123.7 159.6 35.1 20.8 94.3 33 34 X K - 0 0 112 -2,-0.3 -25,-0.2 -27,-0.1 4,-0.2 -0.669 9.6-158.4 -87.8 151.3 34.3 19.4 97.8 34 35 X L + 0 0 43 -26,-1.7 2,-1.0 -27,-0.4 -26,-0.2 0.450 57.5 116.5-106.9 -5.2 34.0 21.7 100.8 35 36 X S S S+ 0 0 92 -27,-0.8 2,-0.3 -28,-0.2 -2,-0.1 -0.524 85.0 12.4 -69.1 98.5 34.8 18.9 103.3 36 37 X G S S+ 0 0 75 -2,-1.0 2,-0.3 0, 0.0 -1,-0.2 -0.716 129.7 2.4 137.9 -85.3 38.0 20.1 104.9 37 38 X T - 0 0 75 -2,-0.3 -4,-0.0 3,-0.2 -2,-0.0 -1.000 41.2-168.9-139.6 138.3 38.8 23.7 103.9 38 39 X R S S+ 0 0 63 -2,-0.3 -1,-0.1 1,-0.1 27,-0.1 0.468 93.3 49.6-103.0 -5.6 36.9 26.3 101.9 39 40 X T S S+ 0 0 70 1,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.329 96.0 77.3-112.9 2.3 39.8 28.8 101.7 40 41 X D S S- 0 0 105 26,-0.0 -3,-0.2 0, 0.0 -1,-0.1 -0.949 87.1-128.8-110.8 109.9 42.4 26.3 100.5 41 42 X R + 0 0 97 -2,-0.6 -3,-0.1 1,-0.1 -2,-0.1 -0.348 32.1 172.3 -68.1 128.7 41.8 25.6 96.8 42 43 X P S > S+ 0 0 57 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.830 76.9 1.7 -96.3 -89.8 41.5 21.9 95.8 43 44 X G T 3 S+ 0 0 26 1,-0.2 4,-0.2 2,-0.2 -12,-0.1 0.111 115.3 82.3 -91.4 18.6 40.5 21.2 92.2 44 45 X L T >> S+ 0 0 18 2,-0.2 4,-1.2 1,-0.1 3,-0.9 0.666 76.3 73.0 -85.6 -24.9 40.4 24.9 91.5 45 46 X K H <> S+ 0 0 130 -3,-0.7 4,-0.8 1,-0.3 3,-0.3 0.861 93.4 53.2 -54.7 -39.1 44.2 24.6 91.0 46 47 X R H 3> S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.722 101.1 60.7 -68.4 -23.8 43.4 22.9 87.7 47 48 X A H <4 S+ 0 0 8 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.807 103.7 49.0 -73.2 -30.7 41.2 25.8 86.6 48 49 X L H >< S+ 0 0 47 -4,-1.2 3,-0.6 -3,-0.3 -1,-0.2 0.731 110.9 54.0 -75.5 -24.4 44.2 28.2 86.9 49 50 X K H 3< S+ 0 0 138 -4,-0.8 2,-0.6 1,-0.2 -2,-0.2 0.963 107.2 45.4 -73.4 -57.0 46.1 25.6 84.8 50 51 X R T 3< S+ 0 0 128 -4,-2.2 2,-0.4 2,-0.0 -1,-0.2 -0.076 97.2 99.2 -82.1 36.3 43.7 25.3 81.8 51 52 X L < - 0 0 24 -2,-0.6 2,-0.3 -3,-0.6 33,-0.1 -0.988 47.7-179.8-130.4 132.0 43.3 29.1 81.5 52 53 X Q > - 0 0 114 -2,-0.4 3,-1.7 1,-0.1 31,-0.0 -0.876 38.1 -67.1-131.6 161.9 45.0 31.6 79.2 53 54 X K T 3 S+ 0 0 163 -2,-0.3 31,-0.2 1,-0.2 30,-0.1 -0.005 114.6 21.4 -48.2 140.0 45.1 35.4 78.3 54 55 X G T 3 S+ 0 0 60 29,-1.1 -1,-0.2 1,-0.3 31,-0.1 -0.074 99.9 107.9 92.2 -32.6 42.0 36.9 76.8 55 56 X D < - 0 0 27 -3,-1.7 30,-1.3 1,-0.1 -1,-0.3 -0.025 59.2-133.8 -69.2 176.3 39.7 34.2 78.1 56 57 X T - 0 0 39 28,-0.2 -54,-1.1 -3,-0.1 2,-0.4 -0.752 4.7-113.8-131.3 178.4 37.2 34.6 81.0 57 58 X L E -b 2 0A 34 28,-0.3 30,-1.9 -2,-0.2 2,-0.5 -0.935 17.0-146.7-120.0 139.3 35.9 33.2 84.3 58 59 X V E +bc 3 87A 11 -56,-2.2 -54,-1.0 -2,-0.4 2,-0.4 -0.902 23.3 166.3-109.2 123.8 32.4 31.8 85.1 59 60 X V E - c 0 88A 2 28,-0.7 30,-3.8 -2,-0.5 32,-0.3 -0.982 26.5-163.2-140.1 124.8 30.9 32.2 88.5 60 61 X W S S- 0 0 78 -56,-0.5 30,-1.2 -2,-0.4 31,-0.7 0.992 86.0 -0.7 -62.2 -65.1 27.3 31.6 89.7 61 62 X K - 0 0 75 3,-0.2 3,-0.5 29,-0.1 -1,-0.3 -0.996 62.0-134.8-132.3 138.3 27.8 33.5 93.0 62 63 X L S >S+ 0 0 1 -2,-0.4 5,-0.7 1,-0.2 4,-0.5 0.851 106.2 60.8 -52.1 -41.5 30.9 35.2 94.4 63 64 X D T > 5S+ 0 0 37 1,-0.2 2,-2.3 2,-0.2 3,-1.0 0.892 91.8 66.4 -56.0 -45.8 30.1 33.6 97.8 64 65 X R T 3 5S+ 0 0 67 -3,-0.5 -3,-0.2 1,-0.2 -1,-0.2 -0.480 98.6 55.5 -77.9 71.0 30.5 30.1 96.4 65 66 X L T 3 5S- 0 0 36 -2,-2.3 -1,-0.2 -60,-0.1 -2,-0.2 0.278 130.4 -56.1-167.4 -38.7 34.2 30.6 95.7 66 67 X G T < 5 - 0 0 2 -3,-1.0 2,-1.7 -4,-0.5 -3,-0.1 0.129 50.5-150.9 168.6 -35.8 35.9 31.7 99.0 67 68 X R < + 0 0 49 -5,-0.7 2,-1.0 1,-0.1 47,-0.1 -0.111 60.2 115.9 74.7 -38.5 34.2 34.8 100.4 68 69 X S >> - 0 0 10 -2,-1.7 4,-2.6 1,-0.2 3,-0.8 -0.519 52.0-161.9 -65.3 100.1 37.3 36.2 102.1 69 70 X M H 3> S+ 0 0 61 -2,-1.0 4,-1.7 39,-0.3 5,-0.4 0.694 87.5 61.3 -66.1 -20.9 37.7 39.4 100.1 70 71 X K H 3> S+ 0 0 155 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.929 114.8 35.5 -62.1 -45.8 41.3 39.8 101.3 71 72 X H H <4 S+ 0 0 69 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.796 119.5 52.3 -77.4 -32.5 42.0 36.5 99.5 72 73 X L H X S+ 0 0 7 -4,-2.6 4,-1.6 1,-0.1 5,-0.3 0.998 109.4 43.1 -67.7 -68.4 39.5 37.2 96.7 73 74 X I H X S+ 0 0 57 -4,-1.7 2,-2.1 1,-0.3 4,-1.8 0.866 107.3 64.8 -44.0 -45.1 40.7 40.6 95.5 74 75 X S H < S+ 0 0 90 -4,-1.0 -1,-0.3 -5,-0.4 -4,-0.1 -0.296 111.9 33.2 -79.8 55.2 44.3 39.4 95.8 75 76 X L H > S+ 0 0 39 -2,-2.1 4,-1.0 -3,-0.3 3,-0.3 0.115 115.1 48.3-167.5 -58.4 43.7 36.8 93.0 76 77 X V H >X S+ 0 0 16 -4,-1.6 4,-2.1 1,-0.2 3,-0.6 0.880 110.6 56.4 -63.7 -40.0 41.2 38.1 90.5 77 78 X G H 3X S+ 0 0 9 -4,-1.8 4,-0.9 -5,-0.3 -1,-0.2 0.697 100.6 59.2 -64.3 -21.3 43.4 41.3 90.4 78 79 X E H 34 S+ 0 0 102 -3,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.805 106.2 46.0 -76.4 -32.5 46.3 39.1 89.5 79 80 X L H XX>S+ 0 0 4 -4,-1.0 3,-2.0 -3,-0.6 5,-1.8 0.853 104.0 63.4 -72.8 -38.9 44.4 38.0 86.3 80 81 X R H 3<5S+ 0 0 113 -4,-2.1 3,-0.2 1,-0.3 -2,-0.2 0.836 110.4 38.9 -49.6 -38.3 43.6 41.6 85.7 81 82 X E T 3<5S+ 0 0 161 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.230 111.6 59.7 -98.6 10.4 47.3 42.1 85.3 82 83 X R T <45S- 0 0 113 -3,-2.0 -2,-0.2 2,-0.3 -1,-0.2 0.355 117.3-109.3-111.4 -2.6 47.7 38.8 83.5 83 84 X G T <5S+ 0 0 38 -4,-0.9 -29,-1.1 1,-0.3 2,-0.4 0.397 82.4 116.8 92.2 -1.1 45.3 39.8 80.7 84 85 X I < - 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