==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE / HYDROLASE INHIBITOR 05-AUG-10 3OAG . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.PRADE . 669 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 83 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 2 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 6 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 . 4 6 10 4 7 5 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 2 0 4 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 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 4 A G 0 0 77 0, 0.0 148,-0.1 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 56.6 13.9 -34.9 3.5 2 5 A N + 0 0 132 147,-0.2 2,-0.4 2,-0.0 148,-0.2 0.182 360.0 119.5-130.3 15.4 16.3 -35.8 6.3 3 6 A T B -a 150 0A 61 146,-2.5 148,-1.8 2,-0.0 2,-0.4 -0.710 36.0-172.9 -99.9 135.2 19.5 -33.8 5.7 4 7 A T - 0 0 79 -2,-0.4 2,-0.4 146,-0.2 168,-0.2 -0.912 18.3-162.9-104.2 145.8 21.4 -31.2 7.6 5 8 A S E -B 171 0B 11 166,-2.5 166,-3.4 -2,-0.4 2,-0.3 -0.995 2.8-162.7-136.3 128.9 24.3 -29.7 5.6 6 9 A S E -B 170 0B 60 -2,-0.4 2,-0.4 164,-0.2 164,-0.2 -0.755 8.6-159.0-115.5 158.6 27.2 -27.8 7.1 7 10 A V E -B 169 0B 10 162,-2.1 162,-1.9 -2,-0.3 2,-0.2 -0.991 20.7-131.3-136.0 121.9 29.9 -25.4 5.7 8 11 A I E -B 168 0B 104 -2,-0.4 12,-0.5 160,-0.2 2,-0.3 -0.550 26.6-150.6 -72.1 136.7 33.1 -24.7 7.5 9 12 A L E -B 167 0B 3 158,-2.6 158,-0.8 -2,-0.2 157,-0.8 -0.829 6.9-137.8-109.7 149.8 33.9 -21.0 7.7 10 13 A T E -G 18 0C 71 8,-3.7 8,-2.1 -2,-0.3 2,-0.7 -0.905 15.0-143.7-100.0 133.5 37.2 -19.2 7.9 11 14 A N E -G 17 0C 15 -2,-0.5 2,-0.7 6,-0.2 6,-0.2 -0.895 12.1-165.2 -95.5 112.1 37.5 -16.3 10.3 12 15 A Y E >> S-G 16 0C 81 4,-3.3 3,-2.2 -2,-0.7 4,-1.9 -0.900 70.2 -39.0 -97.9 110.9 39.6 -13.5 9.0 13 16 A M T 34 S- 0 0 106 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.695 101.9 -72.4 54.6 30.1 40.6 -11.0 11.8 14 17 A D T 34 S+ 0 0 30 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.553 129.6 78.1 61.4 11.0 37.2 -11.2 13.6 15 18 A T T <4 S+ 0 0 27 -3,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.634 86.4 46.9-121.3 -20.4 35.6 -9.2 10.8 16 19 A Q E < -G 12 0C 29 -4,-1.9 -4,-3.3 207,-0.1 2,-0.5 -0.973 55.5-176.1-131.7 120.0 35.1 -11.5 7.8 17 20 A Y E +G 11 0C 6 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.964 21.4 156.6-115.1 123.1 33.5 -15.0 8.0 18 21 A Y E -G 10 0C 20 -8,-2.1 -8,-3.7 -2,-0.5 15,-0.2 -0.991 18.4-176.8-147.9 150.7 33.4 -17.0 4.8 19 22 A G E -H 32 0D 4 13,-2.1 13,-3.0 -2,-0.3 2,-0.4 -0.750 35.5 -76.8-135.3-175.9 33.2 -20.6 3.4 20 23 A E E +H 31 0D 128 -12,-0.5 77,-0.5 -2,-0.2 2,-0.3 -0.680 36.3 172.4 -94.5 132.8 33.3 -22.4 0.1 21 24 A I E -HI 30 96D 1 9,-2.5 9,-2.3 -2,-0.4 2,-0.4 -0.911 22.0-138.0-119.9 163.5 30.6 -22.8 -2.6 22 25 A G E -HI 29 95D 2 73,-2.2 73,-2.8 -2,-0.3 2,-0.5 -0.976 13.9-166.6-119.1 133.0 30.9 -24.3 -6.1 23 26 A I E > -HI 28 94D 0 5,-2.9 5,-2.5 -2,-0.4 71,-0.2 -0.979 48.2 -5.2-120.2 126.3 29.3 -22.8 -9.2 24 27 A G T 5S- 0 0 4 69,-2.4 42,-0.1 -2,-0.5 68,-0.1 -0.325 91.7 -37.5 101.1-177.1 29.0 -24.7 -12.5 25 28 A T T 5S+ 0 0 54 1,-0.3 42,-2.2 2,-0.1 43,-0.2 -0.958 135.5 23.7-132.9 112.3 30.0 -28.0 -14.2 26 29 A P T 5S- 0 0 95 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.659 120.3-102.6 -67.5 162.2 32.7 -28.7 -13.3 27 30 A P T 5 - 0 0 82 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.332 26.1-156.7 -60.9 125.1 32.5 -26.7 -10.0 28 31 A Q E < -H 23 0D 39 -5,-2.5 -5,-2.9 -2,-0.1 2,-0.2 -0.936 25.3-138.4 -96.1 119.1 34.3 -23.3 -9.9 29 32 A T E +H 22 0D 69 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.582 24.4 179.8 -88.7 144.5 34.9 -22.7 -6.2 30 33 A F E -H 21 0D 6 -9,-2.3 -9,-2.5 -2,-0.2 2,-0.5 -0.991 28.4-124.8-140.1 142.6 34.4 -19.3 -4.5 31 34 A K E -H 20 0D 82 -2,-0.3 92,-2.3 -11,-0.2 91,-2.0 -0.792 40.6-179.1 -85.7 129.6 34.8 -18.1 -0.9 32 35 A V E -Hj 19 123D 0 -13,-3.0 -13,-2.1 -2,-0.5 2,-0.4 -0.984 31.9-131.2-137.9 142.7 31.6 -16.4 0.2 33 36 A V E - j 0 124D 13 90,-1.6 92,-2.6 -2,-0.4 2,-0.8 -0.767 26.5-135.9 -81.9 131.8 30.1 -14.6 3.2 34 37 A F E - j 0 125D 2 -2,-0.4 2,-0.7 -17,-0.4 92,-0.2 -0.873 30.7-164.8 -93.7 107.6 26.7 -16.0 4.0 35 38 A D E > - j 0 126D 25 90,-2.5 92,-2.6 -2,-0.8 3,-1.6 -0.835 30.8-175.5-113.8 103.6 24.8 -12.8 4.6 36 39 A T T 3 S+ 0 0 3 -2,-0.7 158,-0.5 1,-0.3 93,-0.2 0.593 87.5 67.2 -69.9 -5.9 21.4 -12.6 6.4 37 40 A G T 3 S+ 0 0 36 91,-0.1 2,-0.3 156,-0.1 -1,-0.3 0.366 104.6 40.9 -95.7 4.0 21.4 -8.8 5.5 38 41 A S < - 0 0 33 -3,-1.6 90,-2.5 87,-0.1 89,-0.9 -0.933 61.5-152.8-142.9 166.2 21.1 -9.4 1.8 39 42 A S + 0 0 3 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.396 63.2 87.3-123.7 -1.6 19.1 -11.8 -0.5 40 43 A N - 0 0 9 92,-0.2 86,-1.3 99,-0.1 2,-0.5 -0.738 66.1-131.3-103.7 152.7 21.2 -12.2 -3.7 41 44 A V E +K 125 0D 3 63,-0.4 65,-2.8 -2,-0.3 2,-0.4 -0.894 34.9 176.3 -92.1 126.3 24.0 -14.5 -4.8 42 45 A W E +Kl 124 106D 18 82,-2.4 82,-2.0 -2,-0.5 65,-0.2 -0.999 10.7 163.7-132.2 135.8 26.9 -12.4 -6.3 43 46 A V E - l 0 107D 1 63,-1.9 65,-2.3 -2,-0.4 80,-0.2 -0.976 45.6 -93.4-141.0 152.2 30.3 -13.5 -7.6 44 47 A P E - l 0 108D 3 0, 0.0 17,-3.1 0, 0.0 2,-0.3 -0.347 42.3-130.9 -64.6 150.3 32.8 -11.6 -9.8 45 48 A S B > -o 61 0E 0 63,-2.3 3,-2.4 15,-0.3 17,-0.2 -0.743 15.7-123.6-102.7 148.1 32.5 -12.3 -13.5 46 49 A S T 3 S+ 0 0 44 15,-2.8 16,-0.1 -2,-0.3 -1,-0.1 0.627 114.5 68.0 -60.2 -12.5 35.3 -13.3 -15.9 47 50 A K T 3 S+ 0 0 108 14,-0.3 2,-0.7 61,-0.1 -1,-0.3 0.319 72.0 109.8 -89.8 3.5 33.9 -10.2 -17.7 48 51 A a S < S- 0 0 6 -3,-2.4 62,-0.1 60,-0.2 61,-0.1 -0.754 76.8-118.6 -81.3 118.0 35.1 -7.9 -15.0 49 52 A S > - 0 0 43 -2,-0.7 3,-1.6 60,-0.6 6,-0.2 -0.179 8.8-127.8 -53.9 143.7 37.9 -5.8 -16.4 50 53 A R T 3 S+ 0 0 156 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.559 104.8 79.1 -70.7 -8.6 41.3 -6.2 -14.7 51 54 A L T 3 S+ 0 0 22 4,-0.1 2,-0.6 3,-0.0 -1,-0.3 0.392 76.7 83.5 -79.3 0.5 41.2 -2.4 -14.4 52 55 A Y S X> S- 0 0 8 -3,-1.6 3,-1.3 1,-0.1 4,-1.1 -0.954 74.0-152.9-101.9 118.5 38.9 -2.9 -11.5 53 56 A T H >> S+ 0 0 27 -2,-0.6 4,-0.7 1,-0.3 3,-0.6 0.866 93.0 58.0 -56.8 -42.9 41.0 -3.5 -8.4 54 57 A A H 34 S+ 0 0 0 57,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.727 109.6 45.8 -60.9 -23.2 38.4 -5.5 -6.7 55 58 A a H X4 S+ 0 0 3 -3,-1.3 3,-0.6 -6,-0.2 -1,-0.2 0.693 98.1 70.1 -93.1 -20.2 38.3 -7.9 -9.6 56 59 A V H << S+ 0 0 65 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.1 0.677 105.5 36.2 -77.5 -18.2 42.0 -8.4 -10.1 57 60 A Y T 3< S+ 0 0 190 -4,-0.7 2,-0.3 -3,-0.1 -1,-0.2 0.306 106.6 78.7-116.0 10.1 42.7 -10.4 -6.8 58 61 A H S < S- 0 0 27 -3,-0.6 2,-0.2 -4,-0.1 64,-0.1 -0.783 87.0 -93.2-117.6 160.2 39.5 -12.4 -6.7 59 62 A K - 0 0 111 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.482 39.2-148.2 -67.9 136.8 38.2 -15.5 -8.4 60 63 A L - 0 0 63 -2,-0.2 2,-0.3 -17,-0.1 -15,-0.3 -0.918 12.1-124.6-113.0 133.7 36.2 -14.8 -11.5 61 64 A F B -o 45 0E 0 -17,-3.1 -15,-2.8 -2,-0.4 2,-0.6 -0.615 21.9-158.5 -74.9 131.0 33.3 -17.0 -12.7 62 65 A D > - 0 0 42 -2,-0.3 3,-1.5 -17,-0.2 4,-0.1 -0.916 13.1-173.4-114.9 108.0 33.6 -18.2 -16.3 63 66 A A G > S+ 0 0 6 -2,-0.6 3,-2.0 1,-0.3 6,-0.3 0.833 84.7 66.1 -62.0 -35.3 30.4 -19.2 -18.0 64 67 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.418 100.0 52.2 -72.6 3.3 32.4 -20.5 -21.0 65 68 A D G < S+ 0 0 105 -3,-1.5 2,-0.5 -39,-0.0 -1,-0.3 0.357 95.9 83.7-111.4 2.8 33.8 -23.2 -18.7 66 69 A S < - 0 0 16 -3,-2.0 3,-0.3 -4,-0.1 -42,-0.1 -0.908 53.0-168.6-114.0 130.2 30.5 -24.4 -17.4 67 70 A S S S+ 0 0 104 -42,-2.2 -1,-0.1 -2,-0.5 -4,-0.0 0.661 91.1 51.8 -88.0 -15.8 28.3 -27.0 -19.3 68 71 A S S S+ 0 0 29 -43,-0.2 2,-0.2 25,-0.1 -1,-0.2 0.406 81.7 122.4-101.3 1.2 25.3 -26.4 -17.0 69 72 A Y - 0 0 49 -3,-0.3 2,-0.5 -6,-0.3 23,-0.2 -0.455 44.1-162.2 -69.5 130.3 25.3 -22.6 -17.4 70 73 A K E -M 91 0D 135 21,-2.6 21,-2.2 -2,-0.2 -2,-0.0 -0.967 18.4-131.4-117.0 113.9 22.1 -20.9 -18.7 71 74 A H E +M 90 0D 139 -2,-0.5 19,-0.2 19,-0.2 18,-0.0 -0.223 38.5 154.2 -56.1 143.4 22.5 -17.4 -20.0 72 75 A N E - 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