==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 28-FEB-12 4DY5 . COMPND 2 MOLECULE: GIFSY-1 PROPHAGE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR S.LEYSEN,V.THEUWIS,L.VANDERKELEN,C.W.MICHIELS,S.V.STRELKOV . 325 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 35.1 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 35 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 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 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 6 0 0 3 3 0 3 3 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 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 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 23 A T 0 0 140 0, 0.0 26,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.6 9.9 -6.8 -10.3 2 24 A G + 0 0 15 24,-0.1 26,-0.1 204,-0.1 132,-0.1 -0.782 360.0 7.5 113.5-164.9 12.7 -4.2 -10.4 3 25 A K - 0 0 23 24,-0.3 26,-2.4 -2,-0.3 2,-0.4 -0.210 57.6-171.9 -57.9 133.3 15.4 -3.4 -7.9 4 26 A N E -a 29 0A 94 24,-0.2 2,-0.5 26,-0.1 26,-0.2 -0.998 4.0-175.3-126.3 132.8 15.9 -5.7 -4.9 5 27 A V E -a 30 0A 29 24,-2.1 26,-1.9 -2,-0.4 2,-0.6 -0.958 20.7-141.9-129.6 110.6 18.2 -4.8 -2.0 6 28 A N E -a 31 0A 112 -2,-0.5 2,-0.7 24,-0.2 26,-0.2 -0.642 29.5-125.6 -66.4 115.8 18.7 -7.3 0.8 7 29 A V + 0 0 20 24,-3.7 2,-0.5 -2,-0.6 26,-0.3 -0.565 35.1 179.1 -70.5 111.1 18.9 -5.1 3.8 8 30 A E - 0 0 134 -2,-0.7 2,-0.3 24,-0.1 24,-0.0 -0.974 12.2-159.5-112.9 120.1 22.2 -5.9 5.6 9 31 A F - 0 0 68 -2,-0.5 2,-0.3 7,-0.1 7,-0.1 -0.664 14.5-147.3 -85.3 156.2 23.1 -4.0 8.7 10 32 A D > - 0 0 55 5,-0.3 3,-1.7 -2,-0.3 5,-0.2 -0.833 46.5 -23.7-117.2 161.9 26.7 -4.0 9.7 11 33 A K T 3 S- 0 0 183 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.060 120.6 -19.8 56.2-124.5 28.6 -3.9 13.1 12 34 A G T 3 S+ 0 0 78 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.232 103.0 117.1-115.6 41.1 26.6 -2.4 16.0 13 35 A Q < - 0 0 113 -3,-1.7 -4,-0.1 1,-0.1 3,-0.0 -0.785 47.4-163.8-110.0 155.0 24.0 -0.5 14.0 14 36 A N S S+ 0 0 65 -2,-0.3 96,-2.3 -5,-0.1 2,-0.3 0.049 73.9 48.2-121.6 21.0 20.3 -1.0 13.9 15 37 A S E -E 109 0B 27 94,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.987 55.9-164.9-156.2 154.9 19.6 1.1 10.8 16 38 A A E -E 108 0B 19 92,-1.8 92,-2.9 -2,-0.3 2,-0.4 -0.989 14.8-140.5-144.3 146.9 20.9 1.5 7.2 17 39 A R E -E 107 0B 163 -2,-0.3 2,-0.3 90,-0.2 90,-0.2 -0.889 20.8-176.7-110.0 137.0 20.3 4.2 4.7 18 40 A Y E -E 106 0B 46 88,-2.9 88,-3.1 -2,-0.4 2,-0.3 -0.920 10.8-151.3-130.4 156.9 19.7 3.6 1.0 19 41 A S E +E 105 0B 57 -2,-0.3 2,-0.3 86,-0.2 86,-0.2 -0.923 19.7 161.5-126.3 153.5 19.2 5.7 -2.2 20 42 A G E -E 104 0B 0 84,-2.1 84,-2.1 -2,-0.3 2,-0.4 -0.957 31.1-133.9-156.5 173.1 17.4 5.1 -5.4 21 43 A V E -E 103 0B 16 -2,-0.3 2,-0.4 82,-0.2 82,-0.2 -0.983 25.5-177.1-133.6 124.4 15.8 6.7 -8.5 22 44 A I E -E 102 0B 1 80,-2.4 80,-2.7 -2,-0.4 2,-0.4 -0.983 10.7-153.3-126.4 140.1 12.4 5.5 -9.6 23 45 A K E > -E 101 0B 62 -2,-0.4 3,-2.3 78,-0.3 78,-0.2 -0.902 54.6 -44.2-113.5 135.7 10.4 6.6 -12.6 24 46 A G T 3 S- 0 0 0 76,-1.6 67,-0.5 -2,-0.4 73,-0.1 -0.231 125.3 -8.4 56.1-121.3 6.7 6.6 -13.0 25 47 A Y T 3 S+ 0 0 122 71,-0.2 -1,-0.3 65,-0.1 2,-0.1 0.312 102.4 118.1 -94.0 5.1 5.1 3.5 -11.6 26 48 A D < - 0 0 60 -3,-2.3 65,-0.6 70,-0.1 2,-0.3 -0.391 45.6-164.2 -69.0 152.5 8.4 1.6 -11.0 27 49 A Y E - B 0 90A 65 -26,-0.4 2,-0.4 63,-0.2 -24,-0.3 -0.972 14.6-136.6-138.9 156.5 9.2 0.6 -7.5 28 50 A D E - B 0 89A 1 61,-2.2 61,-2.8 -2,-0.3 2,-0.4 -0.872 18.2-147.4-111.9 143.8 12.2 -0.5 -5.5 29 51 A T E -aB 4 88A 3 -26,-2.4 -24,-2.1 -2,-0.4 2,-0.5 -0.942 8.5-166.3-119.4 133.5 12.1 -3.3 -2.9 30 52 A Y E -aB 5 87A 0 57,-2.8 57,-2.8 -2,-0.4 2,-0.3 -0.966 14.3-158.5-120.7 114.5 14.1 -3.7 0.3 31 53 A N E +aB 6 86A 11 -26,-1.9 -24,-3.7 -2,-0.5 2,-0.3 -0.714 16.3 166.4 -98.0 140.6 14.1 -7.1 1.9 32 54 A F E - B 0 85A 8 53,-1.9 53,-3.3 -2,-0.3 2,-0.4 -0.996 29.9-132.3-151.9 152.1 14.8 -7.9 5.5 33 55 A Q E + B 0 84A 139 -2,-0.3 2,-0.3 -26,-0.3 51,-0.2 -0.813 34.9 168.7 -98.4 141.8 14.5 -10.6 8.1 34 56 A A E - B 0 83A 13 49,-1.9 49,-2.3 -2,-0.4 2,-0.3 -0.970 32.1-116.6-151.2 165.5 13.1 -9.8 11.5 35 57 A R > - 0 0 146 -2,-0.3 3,-2.1 47,-0.2 44,-0.2 -0.810 45.0 -93.9-106.1 141.8 11.8 -11.3 14.7 36 58 A K T 3 S+ 0 0 141 -2,-0.3 46,-0.1 1,-0.2 3,-0.1 -0.270 112.3 29.2 -54.5 135.0 8.2 -10.8 15.9 37 59 A G T 3 S+ 0 0 48 42,-2.9 -1,-0.2 1,-0.4 2,-0.1 0.220 87.1 125.6 98.0 -16.2 8.0 -7.9 18.3 38 60 A Q < - 0 0 32 -3,-2.1 41,-2.9 41,-0.2 2,-0.4 -0.393 58.1-127.0 -67.6 156.1 10.8 -5.9 16.8 39 61 A K E -F 78 0B 75 39,-0.2 72,-2.9 -3,-0.1 2,-0.4 -0.917 17.9-158.1-113.5 135.3 10.0 -2.4 15.7 40 62 A V E -FG 77 110B 0 37,-2.7 37,-2.3 -2,-0.4 2,-0.4 -0.866 8.4-177.0-110.4 143.1 10.6 -0.9 12.3 41 63 A H E - G 0 109B 54 68,-2.3 68,-2.8 -2,-0.4 2,-0.4 -0.981 4.5-172.7-136.8 127.1 10.8 2.8 11.5 42 64 A V E - G 0 108B 6 22,-0.4 2,-0.3 -2,-0.4 66,-0.2 -0.983 1.6-174.6-124.9 127.4 11.3 4.0 7.9 43 65 A S E - G 0 107B 44 64,-2.0 64,-2.4 -2,-0.4 2,-0.3 -0.874 5.1-164.4-114.2 153.8 11.9 7.6 6.9 44 66 A I E - G 0 106B 44 -2,-0.3 62,-0.2 62,-0.2 22,-0.1 -0.995 20.3-145.2-141.2 144.8 12.1 9.0 3.3 45 67 A S S S+ 0 0 86 60,-2.0 2,-0.5 -2,-0.3 61,-0.1 0.563 83.8 66.8 -86.1 -10.0 13.5 12.2 1.9 46 68 A N > - 0 0 38 59,-0.3 3,-1.7 1,-0.1 -1,-0.1 -0.944 60.7-160.8-123.9 114.9 10.9 12.6 -0.8 47 69 A E T 3 S+ 0 0 158 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.597 89.7 69.9 -69.0 -10.9 7.2 13.3 -0.0 48 70 A G T 3 S+ 0 0 10 43,-0.1 44,-2.2 2,-0.0 2,-0.4 0.362 90.6 75.6 -87.2 5.9 6.3 12.1 -3.5 49 71 A A E < -C 91 0A 6 -3,-1.7 42,-0.3 42,-0.3 2,-0.2 -0.971 69.1-146.6-124.5 131.2 7.2 8.5 -2.6 50 72 A D E -C 90 0A 31 40,-3.1 40,-1.6 -2,-0.4 2,-0.4 -0.524 4.8-149.9 -86.9 158.2 5.3 6.0 -0.5 51 73 A T E +C 89 0A 0 38,-0.2 13,-2.4 -2,-0.2 14,-0.4 -0.924 21.3 179.7-131.7 103.9 6.9 3.4 1.8 52 74 A Y E -CD 88 63A 67 36,-2.2 36,-3.2 -2,-0.4 2,-0.4 -0.889 16.1-146.1-111.8 138.8 4.8 0.3 2.2 53 75 A L E -CD 87 62A 0 9,-3.0 9,-2.0 -2,-0.4 2,-0.3 -0.857 16.1-178.1-106.4 133.4 5.6 -2.8 4.2 54 76 A F E +C 86 0A 61 32,-3.0 32,-2.8 -2,-0.4 7,-0.1 -0.935 25.9 95.3-125.3 151.4 4.6 -6.3 3.2 55 77 A G > - 0 0 24 3,-0.4 3,-1.8 -2,-0.3 30,-0.2 -0.950 67.2 -21.0 157.9-175.1 5.1 -9.6 5.0 56 78 A P T 3 S+ 0 0 49 0, 0.0 25,-0.3 0, 0.0 3,-0.1 -0.230 121.9 21.5 -61.2 140.4 3.9 -12.3 7.3 57 79 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 23,-0.1 -3,-0.0 0.370 101.6 103.1 83.4 -7.2 1.1 -11.3 9.7 58 80 A I < - 0 0 24 -3,-1.8 -3,-0.4 1,-0.1 -1,-0.2 -0.938 55.8-164.0-112.7 111.7 0.2 -8.4 7.3 59 81 A S S S- 0 0 118 -2,-0.6 -1,-0.1 2,-0.1 3,-0.1 0.893 81.6 -11.6 -65.1 -43.5 -2.9 -9.2 5.2 60 82 A D S S- 0 0 129 1,-0.3 2,-0.3 -7,-0.1 -5,-0.1 0.644 112.9 -58.4-118.7 -71.3 -2.4 -6.4 2.6 61 83 A S - 0 0 45 -7,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.963 35.7-122.0-169.9 164.6 0.3 -3.9 3.5 62 84 A V E -D 53 0A 3 -9,-2.0 -9,-3.0 -2,-0.3 2,-0.7 -0.988 20.3-135.1-121.0 129.8 1.3 -1.4 6.2 63 85 A D E +D 52 0A 40 -2,-0.4 7,-0.3 -11,-0.2 -11,-0.2 -0.746 23.4 179.0 -82.2 115.8 1.8 2.3 5.4 64 86 A L + 0 0 1 -13,-2.4 -22,-0.4 -2,-0.7 -1,-0.1 0.361 35.8 125.6-101.2 3.8 5.1 3.3 7.2 65 87 A S S > S- 0 0 28 -14,-0.4 3,-2.3 1,-0.1 6,-0.2 -0.228 77.3 -99.2 -64.3 159.1 5.1 6.9 6.0 66 88 A R T 3 S+ 0 0 152 1,-0.3 -1,-0.1 -22,-0.1 9,-0.1 0.693 118.9 42.7 -60.7 -27.8 5.4 9.6 8.8 67 89 A Y T 3 S+ 0 0 187 3,-0.0 -1,-0.3 8,-0.0 2,-0.2 0.314 83.2 129.9-101.3 9.1 1.7 10.6 9.0 68 90 A S X - 0 0 15 -3,-2.3 3,-1.6 1,-0.2 7,-0.1 -0.434 57.9-142.2 -67.1 131.5 0.4 7.0 8.8 69 91 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.2 -2,-0.2 -5,-0.1 0.561 96.7 73.5 -66.8 -8.2 -2.2 6.1 11.5 70 92 A E T 3 S+ 0 0 89 -7,-0.3 -1,-0.3 -5,-0.1 2,-0.2 0.624 82.7 83.0 -83.6 -12.3 -0.5 2.7 11.6 71 93 A L S < S- 0 0 24 -3,-1.6 6,-0.2 -6,-0.2 -30,-0.1 -0.590 77.5-127.3 -86.1 151.6 2.5 4.0 13.4 72 94 A D > - 0 0 64 4,-2.6 3,-1.8 -2,-0.2 -1,-0.1 -0.174 45.2 -76.7 -80.7-172.4 2.7 4.6 17.1 73 95 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.613 130.8 53.9 -62.8 -15.3 3.7 7.8 18.9 74 96 A N T 3 S- 0 0 118 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.187 119.0-104.9-104.5 13.6 7.4 7.1 18.2 75 97 A G S < S+ 0 0 20 -3,-1.8 -33,-0.4 1,-0.2 2,-0.3 0.678 81.8 126.5 71.7 19.0 7.0 6.7 14.4 76 98 A Q - 0 0 16 -35,-0.1 -4,-2.6 -37,-0.0 2,-0.4 -0.772 48.3-153.2-113.1 156.1 7.4 2.9 14.8 77 99 A Y E -F 40 0B 36 -37,-2.3 -37,-2.7 -2,-0.3 2,-0.6 -0.986 20.4-131.0-122.9 134.5 5.4 -0.2 13.7 78 100 A T E -F 39 0B 64 -2,-0.4 -39,-0.2 -39,-0.2 -40,-0.1 -0.738 23.2-125.1 -89.2 121.9 5.7 -3.5 15.6 79 101 A L - 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