==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-AUG-00 1FLH . COMPND 2 MOLECULE: UROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.CANDURI,L.G.V.L.TEODORO,V.FADEL,C.C.B.LORENZI,V.HIAL, . 326 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 2 0.6 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 . 46 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 4 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 6 3 6 2 2 0 0 0 1 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 2 1 1 0 0 0 1 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 A V 0 0 110 0, 0.0 2,-0.6 0, 0.0 167,-0.1 0.000 360.0 360.0 360.0 73.1 -9.6 8.1 9.9 2 2 A D E -A 167 0A 55 165,-1.4 165,-2.9 2,-0.0 2,-0.4 -0.881 360.0-156.2 -94.8 121.3 -6.9 10.8 9.2 3 3 A E E -A 166 0A 74 -2,-0.6 163,-0.2 163,-0.2 89,-0.1 -0.868 20.7-167.4-113.8 138.2 -5.2 9.9 5.9 4 4 A Q E -A 165 0A 9 161,-2.9 161,-0.9 -2,-0.4 14,-0.0 -0.932 20.3-146.2-117.0 100.5 -1.8 10.8 4.5 5 5 A P E -A 164 0A 87 0, 0.0 12,-0.4 0, 0.0 2,-0.3 -0.392 14.9-151.9 -65.1 149.9 -1.6 10.0 0.8 6 6 A L - 0 0 14 157,-2.5 2,-0.6 10,-0.1 156,-0.5 -0.903 13.2-122.4-122.4 154.0 1.8 8.9 -0.4 7 7 A E E -F 15 0B 101 8,-2.9 8,-1.2 -2,-0.3 2,-0.6 -0.850 23.1-137.7 -98.6 121.0 3.5 9.2 -3.8 8 8 A N E -F 14 0B 2 -2,-0.6 2,-0.7 151,-0.3 6,-0.2 -0.733 18.3-161.9 -79.5 121.5 4.5 5.8 -5.3 9 9 A Y E >> -F 13 0B 92 4,-3.4 4,-2.6 -2,-0.6 3,-1.9 -0.875 65.3 -47.1-111.0 102.5 7.9 6.2 -6.8 10 10 A L T 34 S- 0 0 96 -2,-0.7 -1,-0.1 1,-0.3 148,-0.1 0.717 95.9 -80.2 49.5 22.4 8.8 3.5 -9.4 11 11 A D T 34 S+ 0 0 14 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.400 128.5 90.0 67.0 -4.6 7.5 1.0 -6.7 12 12 A M T <4 S+ 0 0 71 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.782 88.4 32.3 -92.3 -26.6 10.9 1.6 -5.1 13 13 A E E < -F 9 0B 51 -4,-2.6 -4,-3.4 206,-0.0 2,-0.4 -0.970 54.0-169.3-137.6 146.8 10.0 4.5 -2.9 14 14 A Y E +F 8 0B 5 -2,-0.3 17,-0.9 -6,-0.2 2,-0.3 -0.973 22.9 153.2-133.9 119.4 7.0 5.9 -1.0 15 15 A F E -FG 7 30B 16 -8,-1.2 -8,-2.9 -2,-0.4 2,-0.3 -0.963 22.7-149.4-142.4 160.4 6.9 9.4 0.6 16 16 A G E - G 0 29B 2 13,-2.8 13,-3.0 -2,-0.3 2,-0.6 -0.807 23.4-106.7-128.7 169.3 4.4 12.0 1.6 17 17 A T E + G 0 28B 87 -12,-0.4 75,-0.3 -2,-0.3 2,-0.3 -0.851 40.9 169.6 -97.9 116.5 4.1 15.8 1.8 18 18 A I E - G 0 27B 4 9,-2.7 9,-2.5 -2,-0.6 2,-0.3 -0.830 22.6-134.8-121.9 165.6 4.2 17.2 5.4 19 19 A G E -HG 90 26B 7 71,-1.0 71,-2.7 -2,-0.3 2,-0.3 -0.934 14.0-168.0-123.9 147.4 4.5 20.8 6.7 20 20 A I E > +HG 89 25B 0 5,-2.5 5,-3.0 -2,-0.3 69,-0.2 -0.970 52.8 13.5-132.3 147.5 6.5 22.3 9.5 21 21 A G T 5S- 0 0 0 67,-1.0 40,-0.1 -2,-0.3 66,-0.1 -0.265 93.9 -63.5 81.7-179.0 6.4 25.7 11.1 22 22 A T T 5S+ 0 0 40 1,-0.3 40,-1.7 2,-0.1 41,-0.3 -0.867 132.3 43.1-153.2 110.5 3.6 28.2 10.8 23 23 A P T 5S- 0 0 108 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.484 119.5-113.6 -53.7 145.3 3.2 29.2 8.0 24 24 A A T 5 - 0 0 59 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.452 26.3-155.6 -66.9 123.7 3.7 25.6 7.1 25 25 A Q E < -G 20 0B 39 -5,-3.0 -5,-2.5 -2,-0.2 2,-0.3 -0.869 22.4-130.2 -97.3 132.8 6.9 24.9 5.1 26 26 A D E +G 19 0B 100 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.684 30.0 170.5 -95.0 146.6 6.5 21.8 3.0 27 27 A F E -G 18 0B 4 -9,-2.5 -9,-2.7 -2,-0.3 2,-0.5 -0.986 31.3-127.2-147.3 147.4 8.8 18.8 2.7 28 28 A T E +G 17 0B 38 -2,-0.3 90,-1.8 -11,-0.2 91,-1.8 -0.854 37.6 178.0 -95.0 132.5 8.5 15.3 1.1 29 29 A V E -Gi 16 119B 0 -13,-3.0 -13,-2.8 -2,-0.5 91,-0.3 -0.998 31.3-116.1-139.6 144.4 9.4 12.6 3.6 30 30 A V E -Gi 15 120B 13 89,-2.0 91,-3.1 -2,-0.3 2,-1.1 -0.577 22.9-135.9 -76.4 135.6 9.5 8.8 3.6 31 31 A F E - i 0 121B 5 -17,-0.9 2,-0.6 -2,-0.3 91,-0.2 -0.817 35.2-173.8 -94.2 97.8 7.0 7.2 6.0 32 32 A D E > - i 0 122B 16 89,-2.1 91,-2.8 -2,-1.1 3,-1.2 -0.854 31.4-173.7-106.5 112.4 9.4 4.7 7.4 33 33 A T T 3 S+ 0 0 0 -2,-0.6 157,-0.4 1,-0.2 92,-0.2 0.487 86.2 68.8 -77.9 0.3 8.4 1.9 9.8 34 34 A G T 3 S+ 0 0 14 155,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.468 103.6 37.6 -96.5 -5.4 12.1 1.0 10.1 35 35 A S < - 0 0 11 -3,-1.2 89,-2.8 86,-0.1 88,-0.7 -0.853 57.7-155.1-135.7 175.7 13.1 4.2 12.0 36 36 A S + 0 0 2 92,-0.4 100,-0.3 -2,-0.3 2,-0.2 0.510 62.2 93.5-131.5 -12.4 11.6 6.5 14.7 37 37 A N - 0 0 5 91,-0.2 85,-1.3 98,-0.1 2,-0.5 -0.589 57.8-148.1 -88.8 145.7 13.2 9.9 14.2 38 38 A L E +J 121 0B 6 83,-0.2 64,-3.0 -2,-0.2 2,-0.3 -0.962 30.6 153.2-112.3 129.9 11.7 12.7 12.1 39 39 A W E -Jk 120 102B 0 81,-1.9 81,-1.6 -2,-0.5 64,-0.2 -0.979 18.7-176.9-155.0 151.0 14.2 15.1 10.4 40 40 A V E - k 0 103B 0 62,-1.7 64,-1.8 -2,-0.3 79,-0.1 -0.935 43.3 -82.8-141.8 159.0 14.3 17.3 7.3 41 41 A P E - k 0 104B 0 0, 0.0 15,-3.2 0, 0.0 2,-0.3 -0.303 45.8-156.3 -62.9 153.7 17.1 19.5 5.8 42 42 A S B > -o 56 0C 0 62,-0.6 3,-1.6 13,-0.3 15,-0.2 -0.830 32.7-104.4-125.5 168.4 17.5 22.9 7.4 43 43 A V T 3 S+ 0 0 46 13,-2.5 14,-0.1 -2,-0.3 62,-0.1 0.703 114.8 72.0 -66.2 -14.8 19.0 26.1 6.1 44 44 A Y T 3 S+ 0 0 121 60,-0.3 2,-0.4 12,-0.3 -1,-0.3 0.327 83.7 86.7 -80.1 2.2 22.1 25.4 8.3 45 45 A a < + 0 0 3 -3,-1.6 61,-0.2 59,-0.1 60,-0.1 -0.910 40.3 167.7-110.4 138.5 23.1 22.5 6.0 46 46 A S + 0 0 110 59,-0.8 60,-0.1 -2,-0.4 -1,-0.1 0.214 33.7 130.7-130.1 13.9 25.3 22.9 2.9 47 47 A S S >> S- 0 0 26 58,-0.3 3,-1.5 1,-0.1 4,-0.6 -0.221 76.6 -99.2 -63.0 159.6 26.1 19.3 2.1 48 48 A L H >> S+ 0 0 87 1,-0.3 3,-2.0 2,-0.2 4,-0.7 0.908 125.6 56.5 -48.7 -48.7 25.5 18.2 -1.5 49 49 A A H 34 S+ 0 0 0 58,-0.6 3,-0.5 60,-0.6 -1,-0.3 0.809 104.2 55.7 -54.1 -31.4 22.2 16.6 -0.6 50 50 A a H X4 S+ 0 0 1 -3,-1.5 3,-0.7 1,-0.2 -1,-0.3 0.588 90.9 70.0 -80.9 -11.6 21.1 20.0 0.8 51 51 A T H << S+ 0 0 98 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.788 109.8 33.1 -77.3 -23.0 21.7 22.1 -2.4 52 52 A N T 3< S+ 0 0 70 -4,-0.7 2,-0.3 -3,-0.5 -1,-0.2 -0.132 107.8 75.7-124.1 38.2 18.8 20.4 -4.1 53 53 A H S < S- 0 0 25 -3,-0.7 2,-0.3 65,-0.0 65,-0.0 -0.971 88.7 -84.8-146.1 156.9 16.3 19.8 -1.4 54 54 A N - 0 0 77 -2,-0.3 2,-0.5 -26,-0.1 -2,-0.1 -0.511 43.3-158.4 -65.0 123.1 13.8 21.7 0.7 55 55 A R - 0 0 115 -2,-0.3 -13,-0.3 -15,-0.1 2,-0.2 -0.930 15.4-124.9-111.2 124.6 15.6 23.3 3.7 56 56 A F B -o 42 0C 0 -15,-3.2 -13,-2.5 -2,-0.5 -12,-0.3 -0.429 17.5-152.0 -69.5 133.1 13.6 24.3 6.8 57 57 A N > - 0 0 43 -15,-0.2 3,-1.8 -2,-0.2 4,-0.2 -0.880 7.2-166.5-111.9 99.4 14.1 27.9 7.8 58 58 A P G > S+ 0 0 10 0, 0.0 3,-1.7 0, 0.0 6,-0.3 0.835 84.8 66.9 -50.4 -37.1 13.6 28.4 11.6 59 59 A E G 3 S+ 0 0 168 1,-0.3 -3,-0.0 -3,-0.1 5,-0.0 0.743 95.6 54.7 -58.6 -29.2 13.4 32.2 11.1 60 60 A D G < S+ 0 0 89 -3,-1.8 2,-0.5 1,-0.0 -1,-0.3 0.327 92.4 84.2 -89.6 5.2 10.1 32.0 9.2 61 61 A S X - 0 0 11 -3,-1.7 3,-0.9 -4,-0.2 -40,-0.1 -0.945 54.9-167.1-117.3 117.1 8.2 30.1 11.8 62 62 A S T 3 S+ 0 0 109 -40,-1.7 -1,-0.1 -2,-0.5 -3,-0.0 0.580 91.2 53.1 -73.8 -10.2 6.6 31.9 14.7 63 63 A T T 3 S+ 0 0 51 -41,-0.3 -1,-0.2 -40,-0.1 2,-0.1 0.388 77.2 122.1-108.2 5.2 6.2 28.6 16.5 64 64 A Y < - 0 0 37 -3,-0.9 2,-0.5 -6,-0.3 23,-0.2 -0.408 40.3-165.9 -71.5 140.7 9.7 27.2 16.4 65 65 A Q B -L 86 0B 119 21,-3.0 21,-3.2 -2,-0.1 2,-0.1 -0.978 10.4-154.8-128.5 112.6 11.3 26.3 19.8 66 66 A S - 0 0 87 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.384 10.3-165.5 -83.3 164.7 15.1 25.7 19.6 67 67 A T - 0 0 50 17,-0.5 17,-0.1 2,-0.2 -1,-0.0 -0.927 32.1-116.1-144.0 170.0 17.0 23.6 22.0 68 68 A S S S+ 0 0 125 -2,-0.3 -1,-0.1 15,-0.1 17,-0.0 0.905 82.6 96.4 -74.2 -41.0 20.6 22.9 23.1 69 69 A E - 0 0 118 14,-0.1 15,-2.0 1,-0.1 2,-0.3 -0.033 56.9-150.9 -59.1 150.9 20.6 19.2 22.0 70 70 A T E -M 83 0B 85 13,-0.3 2,-0.3 32,-0.1 13,-0.3 -0.807 2.8-146.6-120.8 154.5 21.8 17.6 18.7 71 71 A V E -M 82 0B 1 11,-2.8 11,-2.7 -2,-0.3 2,-0.4 -0.918 7.3-170.2-123.3 146.7 20.8 14.5 16.8 72 72 A S E -M 81 0B 68 -2,-0.3 2,-0.5 9,-0.3 9,-0.3 -0.936 10.9-171.6-137.9 109.0 23.0 12.2 14.7 73 73 A I E -M 80 0B 7 7,-3.3 7,-1.3 -2,-0.4 2,-0.6 -0.931 7.7-163.1-112.6 124.7 21.1 9.7 12.6 74 74 A T E -M 79 0B 115 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.898 13.8-168.7-107.1 115.2 22.8 6.8 10.8 75 75 A Y - 0 0 42 3,-1.9 3,-0.2 -2,-0.6 -40,-0.0 -0.562 42.7 -95.7-100.2 165.5 20.8 5.2 8.0 76 76 A G S S+ 0 0 85 1,-0.2 2,-0.3 -2,-0.2 3,-0.1 0.747 121.2 11.9 -45.4 -29.8 21.3 2.0 6.0 77 77 A T S S+ 0 0 89 1,-0.4 -1,-0.2 35,-0.0 0, 0.0 -0.900 128.1 7.4-152.1 118.3 22.8 4.3 3.4 78 78 A G - 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