==== 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 OXIDOREDUCTASE 16-JAN-04 1S4I . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE-LIKE PROTEIN YOJM; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR L.BANCI,I.BERTINI,V.CALDERONE,F.CRAMARO,R.DEL CONTE,A.FANTON . 605 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 29.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 . 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 . 64 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.3 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+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 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 RESIDUES PER ALPHA HELIX . 8 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 0 PARALLEL BRIDGES PER LADDER . 5 3 2 9 0 4 8 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 0 0 0 2 2 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 40 B A 0 0 114 0, 0.0 22,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-176.7 15.4 12.5 0.9 2 41 B F + 0 0 32 555,-0.3 20,-0.2 20,-0.1 2,-0.2 -0.663 360.0 136.0-117.0 131.2 12.7 10.8 -1.1 3 42 B G E +A 21 0A 23 18,-2.7 18,-2.8 -2,-0.3 3,-0.1 -0.691 30.6 87.0-147.5-157.8 13.4 8.5 -4.1 4 43 B H E - 0 0 82 -2,-0.2 -1,-0.1 16,-0.2 15,-0.1 0.919 67.7-151.2 51.4 49.2 12.3 5.2 -5.7 5 44 B H E - 0 0 99 15,-0.1 2,-0.4 -3,-0.1 15,-0.2 -0.230 13.4-166.5 -46.6 128.5 9.5 7.0 -7.6 6 45 B V E -A 19 0A 3 13,-2.9 13,-2.0 -3,-0.1 2,-0.3 -0.986 14.8-136.0-122.6 133.8 6.6 4.7 -8.3 7 46 B Q E -A 18 0A 112 -2,-0.4 142,-0.5 142,-0.3 2,-0.4 -0.670 18.4-140.3 -86.3 132.9 3.8 5.4 -10.7 8 47 B L E - 0 0 2 9,-2.4 8,-2.4 -2,-0.3 9,-0.5 -0.886 19.9-172.7 -94.6 134.0 0.3 4.6 -9.5 9 48 B V E -AB 15 147A 23 138,-2.3 138,-2.9 -2,-0.4 6,-0.2 -0.957 11.7-140.5-123.5 147.5 -2.2 3.1 -11.9 10 49 B N E > - B 0 146A 27 4,-1.7 3,-2.7 -2,-0.3 136,-0.2 -0.361 41.2 -83.2 -99.0 178.8 -5.9 2.4 -11.4 11 50 B R T 3 S+ 0 0 104 134,-1.0 48,-0.1 1,-0.3 135,-0.1 0.704 132.1 51.1 -56.0 -20.7 -8.1 -0.6 -12.6 12 51 B E T 3 S- 0 0 149 2,-0.1 -1,-0.3 44,-0.1 0, 0.0 0.159 118.5-113.0-102.0 18.7 -8.4 1.0 -15.9 13 52 B G < + 0 0 8 -3,-2.7 2,-0.3 1,-0.2 -2,-0.1 0.555 67.3 145.4 54.2 15.0 -4.6 1.5 -16.3 14 53 B K - 0 0 106 1,-0.1 -4,-1.7 2,-0.0 2,-0.3 -0.585 57.7-108.9 -74.6 136.9 -4.8 5.3 -16.1 15 54 B A E +A 9 0A 57 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.525 41.6 172.3 -63.7 124.8 -1.9 7.2 -14.3 16 55 B V E - 0 0 1 -8,-2.4 20,-2.2 -2,-0.3 2,-0.3 0.080 50.9 -67.1-137.4 26.9 -3.3 8.5 -11.0 17 56 B G E - C 0 35A 14 -9,-0.5 -9,-2.4 18,-0.2 -1,-0.3 -0.842 53.7 -94.6 130.5-151.7 -0.3 9.9 -9.1 18 57 B F E -AC 7 34A 32 16,-2.2 16,-2.6 -2,-0.3 2,-0.4 -0.955 8.4-140.1-156.7 168.3 2.9 8.5 -7.5 19 58 B I E -AC 6 33A 0 -13,-2.0 -13,-2.9 -2,-0.3 2,-0.3 -0.994 15.9-174.1-132.8 147.5 4.6 7.4 -4.4 20 59 B E E - C 0 32A 43 12,-2.2 12,-2.8 -2,-0.4 2,-0.4 -0.939 13.6-145.2-136.5 165.2 8.2 8.2 -3.3 21 60 B I E -AC 3 31A 2 -18,-2.8 -18,-2.7 -2,-0.3 2,-0.4 -0.958 8.6-162.7-138.7 136.5 10.0 6.7 -0.3 22 61 B K E - C 0 30A 32 8,-2.4 8,-2.9 -2,-0.4 2,-0.5 -0.998 25.3-127.7-122.5 135.5 12.6 8.0 2.1 23 62 B E E - C 0 29A 108 -22,-0.4 6,-0.2 -2,-0.4 2,-0.1 -0.610 47.8-134.0 -76.5 112.5 14.7 5.8 4.4 24 63 B S - 0 0 10 4,-2.2 2,-0.4 -2,-0.5 4,-0.3 -0.456 12.9-127.2 -90.1 153.7 13.9 7.5 7.5 25 64 B D S S+ 0 0 99 457,-0.3 -1,-0.1 1,-0.2 457,-0.0 -0.814 102.7 49.0-115.8 86.6 15.8 8.8 10.4 26 65 B D S S- 0 0 113 -2,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.621 116.3 -50.5 175.3 162.0 13.9 7.2 11.9 27 66 B E S S- 0 0 123 -3,-0.2 2,-0.3 79,-0.1 -2,-0.1 0.400 90.5 -13.3-125.4-178.9 12.9 4.4 11.8 28 67 B G S S- 0 0 14 -4,-0.3 -4,-2.2 74,-0.1 2,-0.4 -0.647 97.6 -44.8 90.4-143.0 11.4 2.4 8.8 29 68 B L E -CD 23 103A 2 74,-2.4 74,-3.2 -2,-0.3 2,-0.4 -0.929 39.7-138.0-127.2 145.5 10.4 4.2 5.7 30 69 B D E -CD 22 102A 11 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.5 -0.909 22.1-155.2 -96.7 133.8 8.4 7.5 5.1 31 70 B I E -CD 21 101A 0 70,-3.3 70,-2.5 -2,-0.4 2,-0.6 -0.968 6.0-162.6-115.7 117.9 6.0 7.0 2.2 32 71 B H E -CD 20 100A 1 -12,-2.8 -12,-2.2 -2,-0.5 2,-0.5 -0.903 16.6-176.6 -99.3 120.4 4.9 10.3 0.3 33 72 B I E +CD 19 99A 0 66,-2.3 66,-2.3 -2,-0.6 2,-0.5 -0.982 11.8 176.7-123.6 125.9 1.7 9.3 -1.6 34 73 B S E +CD 18 98A 21 -16,-2.6 -16,-2.2 -2,-0.5 2,-0.3 -0.874 18.7 160.0-135.8 101.4 0.1 11.8 -3.9 35 74 B A E -CD 17 97A 1 62,-2.1 62,-2.7 -2,-0.5 -18,-0.2 -0.863 17.5-171.9-123.6 158.5 -2.9 10.3 -5.7 36 75 B N + 0 0 50 -20,-2.2 60,-0.2 -2,-0.3 59,-0.1 -0.740 57.1 59.2-139.4 178.7 -5.9 11.6 -7.5 37 76 B S S S+ 0 0 65 57,-0.3 2,-0.3 1,-0.2 59,-0.1 0.846 74.3 132.5 67.1 30.3 -9.1 10.2 -9.1 38 77 B L - 0 0 12 57,-2.4 -1,-0.2 -3,-0.1 3,-0.1 -0.709 69.0 -76.3-107.9 168.6 -10.3 8.6 -5.8 39 78 B R > - 0 0 136 -2,-0.3 3,-2.4 1,-0.1 52,-0.2 -0.463 56.7-107.4 -69.4 114.9 -13.8 8.8 -4.2 40 79 B P T 3 S- 0 0 86 0, 0.0 53,-0.3 0, 0.0 52,-0.2 -0.102 95.4 -2.2 -50.6 124.4 -14.3 12.2 -2.6 41 80 B G T 3 S+ 0 0 57 51,-1.5 2,-0.1 50,-0.3 51,-0.1 0.532 96.2 140.7 77.2 4.1 -14.2 12.1 1.2 42 81 B A < - 0 0 4 -3,-2.4 49,-2.9 50,-0.2 2,-0.5 -0.492 50.9-134.6 -82.9 153.6 -13.7 8.3 1.5 43 82 B S E -E 90 0A 47 47,-0.2 2,-0.4 -2,-0.1 47,-0.2 -0.933 33.5-165.3 -95.2 128.1 -11.4 6.4 3.9 44 83 B L E -E 89 0A 1 45,-2.3 45,-3.0 -2,-0.5 86,-0.3 -0.964 22.2-114.6-127.0 135.9 -9.6 3.8 1.9 45 84 B G E - 0 0 0 84,-3.4 82,-2.4 -2,-0.4 2,-0.4 -0.187 34.7-174.1 -57.1 144.5 -7.5 0.7 2.9 46 85 B F E +EF 86 126A 0 40,-0.5 40,-1.1 80,-0.2 2,-0.3 -0.911 11.2 158.0-152.6 118.5 -3.9 1.0 1.9 47 86 B H E -EF 85 125A 2 78,-1.8 78,-2.5 -2,-0.4 2,-0.5 -0.912 40.2-116.8-141.5 160.0 -1.3 -1.8 2.2 48 87 B I E - F 0 124A 0 36,-2.6 18,-2.9 -2,-0.3 2,-0.3 -0.898 33.4-159.6-102.3 129.5 2.1 -3.0 1.0 49 88 B Y E - F 0 123A 3 74,-2.9 74,-2.3 -2,-0.5 14,-0.1 -0.721 24.4-111.8-112.2 162.8 1.9 -6.3 -0.8 50 89 B E S S+ 0 0 94 -2,-0.3 2,-0.4 72,-0.2 13,-0.1 0.479 90.2 58.0 -88.1 2.5 4.7 -8.8 -1.5 51 90 B K S S- 0 0 73 13,-0.2 2,-2.0 2,-0.1 71,-0.3 -0.977 71.8-134.2-135.6 134.8 5.2 -8.7 -5.2 52 91 B G + 0 0 3 68,-2.2 2,-0.4 -2,-0.4 97,-0.1 -0.465 65.7 114.8 -80.6 73.9 6.0 -5.7 -7.5 53 92 B S - 0 0 22 -2,-2.0 2,-0.7 9,-0.4 -2,-0.1 -0.956 40.2-174.3-148.7 117.2 3.5 -6.3 -10.2 54 93 B a + 0 0 19 -2,-0.4 2,-0.6 239,-0.2 8,-0.2 -0.845 19.8 162.7-117.5 91.6 0.6 -4.1 -11.0 55 94 B V > - 0 0 29 -2,-0.7 4,-1.0 6,-0.3 6,-0.4 -0.951 36.7 -88.4-115.5 116.2 -1.5 -5.9 -13.7 56 95 B R T 4 S+ 0 0 54 -2,-0.6 2,-0.1 2,-0.2 -44,-0.1 -0.077 87.9 21.5 -38.2 143.4 -5.1 -4.8 -14.3 57 96 B P T 4 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 -44,-0.1 -0.883 130.4 5.9-117.3 -16.1 -7.8 -5.3 -13.4 58 97 B D T 4 S- 0 0 85 -3,-0.2 -2,-0.2 -2,-0.1 86,-0.2 -0.105 75.9-136.7 -42.8 46.5 -7.6 -6.8 -9.9 59 98 B F < + 0 0 0 -4,-1.0 3,-0.4 1,-0.2 -3,-0.1 0.926 59.5 136.8 26.6 30.1 -4.0 -6.5 -9.2 60 99 B E + 0 0 120 -5,-0.3 2,-0.7 1,-0.3 3,-0.2 0.883 49.6 91.3 -77.6 -19.3 -4.1 -10.1 -7.7 61 100 B S S S+ 0 0 50 -6,-0.4 -6,-0.3 1,-0.3 -1,-0.3 -0.767 83.6 60.3-117.9 61.5 -1.0 -10.5 -9.6 62 101 B A S S- 0 0 10 -2,-0.7 -9,-0.4 -3,-0.4 -1,-0.3 0.423 79.0-147.5-161.3-159.8 0.4 -9.6 -7.1 63 102 B G + 0 0 13 -3,-0.2 3,-0.1 -13,-0.1 59,-0.0 0.559 24.5 19.5-116.5-114.4 0.6 -10.6 -4.1 64 103 B G - 0 0 14 1,-0.2 2,-0.4 -15,-0.0 -13,-0.2 0.549 58.2 -99.5 72.3 128.8 0.9 -11.1 -0.6 65 104 B P - 0 0 34 0, 0.0 2,-0.8 0, 0.0 -16,-0.3 -0.832 53.5-108.2 -61.0 138.6 0.4 -8.9 2.2 66 105 B F + 0 0 16 -18,-2.9 18,-1.8 -2,-0.4 19,-0.2 -0.650 63.6 154.0 -69.2 112.0 4.0 -8.0 2.9 67 106 B N > + 0 0 35 -2,-0.8 3,-1.5 16,-0.2 -1,-0.1 -0.390 14.0 153.8-149.9 58.6 4.3 -10.0 6.1 68 107 B P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.659 80.5 55.0 -70.1 -14.9 7.8 -11.2 6.9 69 108 B L T 3 S- 0 0 92 12,-0.1 45,-0.0 45,-0.0 13,-0.0 0.336 106.7-130.1 -96.1 13.1 7.0 -11.4 10.7 70 109 B N < + 0 0 139 -3,-1.5 2,-0.2 1,-0.1 12,-0.1 0.888 53.9 145.9 34.3 65.8 4.0 -13.8 9.9 71 110 B K - 0 0 89 10,-0.1 2,-0.2 1,-0.1 9,-0.2 -0.497 48.9-107.1-110.4 177.4 1.4 -11.9 11.9 72 111 B E B -h 80 0B 71 7,-2.5 9,-2.6 -2,-0.2 10,-0.3 -0.572 50.2 -68.5 -97.4-175.3 -2.2 -11.6 11.1 73 112 B H S S+ 0 0 1 7,-0.2 6,-0.2 8,-0.2 65,-0.1 -0.420 77.5 33.9 -73.1 135.2 -3.9 -8.3 9.9 74 113 B G > - 0 0 1 -2,-0.2 3,-1.1 8,-0.1 6,-0.2 0.467 61.4-113.3 110.8 135.4 -4.6 -5.1 11.6 75 114 B F T 3 S+ 0 0 73 1,-0.2 59,-0.1 11,-0.1 5,-0.1 0.838 119.9 45.8 -53.7 -32.5 -3.6 -2.5 14.1 76 115 B N T 3 S+ 0 0 109 57,-2.3 -1,-0.2 3,-0.1 58,-0.2 0.509 86.2 102.9 -95.1 -11.4 -6.6 -3.5 16.2 77 116 B N X - 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