==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 28-DEC-10 3Q5H . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WU,B.M.MCKEEVER . 675 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 29.6 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 . 79 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.6 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 . 7 1.0 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 6 1 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 5 7 5 7 9 3 0 1 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 . 2 2 1 1 2 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 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 A G 0 0 85 0, 0.0 148,-0.1 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 120.2 23.8 17.2 8.8 2 -1 A N + 0 0 123 147,-0.2 2,-0.3 146,-0.0 148,-0.2 0.193 360.0 128.5-140.1 19.6 23.2 18.4 5.2 3 0 A T B -a 150 0A 54 146,-2.7 148,-2.7 148,-0.0 2,-0.3 -0.590 26.6-179.2 -80.9 138.8 25.9 16.8 2.8 4 1 A T - 0 0 69 -2,-0.3 172,-0.2 146,-0.2 146,-0.0 -0.843 13.4-164.0-131.1 102.3 24.9 15.0 -0.3 5 2 A S E -B 175 0B 8 170,-0.8 170,-2.2 -2,-0.3 2,-0.3 -0.260 1.9-160.3 -72.9 168.0 28.0 13.6 -2.2 6 3 A S E -B 174 0B 60 168,-0.3 2,-0.5 170,-0.1 168,-0.2 -0.949 5.3-159.4-158.7 125.9 27.9 12.5 -5.9 7 4 A V E -B 173 0B 12 166,-2.5 166,-2.3 -2,-0.3 2,-0.2 -0.959 17.8-133.7-118.1 124.4 30.2 10.2 -7.9 8 5 A I E -B 172 0B 117 -2,-0.5 12,-0.5 164,-0.2 2,-0.4 -0.512 24.6-148.2 -69.7 143.4 30.3 10.3 -11.6 9 6 A L E -B 171 0B 4 162,-2.6 162,-1.1 -2,-0.2 161,-0.7 -0.906 7.4-135.1-121.8 142.2 30.3 6.9 -13.2 10 7 A T E -G 18 0C 68 8,-3.0 8,-1.8 -2,-0.4 2,-0.6 -0.734 19.2-145.4 -89.2 143.3 31.8 5.6 -16.4 11 8 A N E -G 17 0C 18 -2,-0.4 2,-0.7 6,-0.2 152,-0.2 -0.962 10.4-165.5-116.6 114.2 29.5 3.5 -18.5 12 9 A Y E >> -G 16 0C 77 4,-3.4 3,-2.4 -2,-0.6 4,-2.0 -0.890 69.8 -41.5-105.2 109.7 31.2 0.7 -20.4 13 10 A M T 34 S- 0 0 99 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.756 100.5 -73.6 48.0 32.3 29.0 -0.8 -23.1 14 11 A D T 34 S+ 0 0 29 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.605 128.3 80.7 66.6 11.0 25.9 -0.6 -20.9 15 12 A T T <4 S+ 0 0 34 -3,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.625 87.5 41.3-124.6 -25.8 27.2 -3.6 -18.9 16 13 A Q E < -G 12 0C 33 -4,-2.0 -4,-3.4 211,-0.1 2,-0.4 -0.990 57.1-179.8-129.3 128.8 29.7 -2.2 -16.4 17 14 A Y E +G 11 0C 10 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.993 16.1 162.3-122.5 129.8 29.3 1.1 -14.5 18 15 A Y E -G 10 0C 23 -8,-1.8 -8,-3.0 -2,-0.4 2,-0.2 -0.965 18.1-166.8-148.9 153.9 32.0 2.1 -12.1 19 16 A G E -H 32 0D 5 13,-2.5 13,-2.6 -2,-0.3 2,-0.4 -0.741 30.5 -92.4-128.8-177.1 33.2 5.2 -10.3 20 17 A E E +H 31 0D 118 -12,-0.5 77,-0.3 -2,-0.2 2,-0.3 -0.784 31.1 179.4-104.3 142.5 36.4 6.1 -8.5 21 18 A I E -H 30 0D 2 9,-2.2 9,-2.4 -2,-0.4 2,-0.4 -0.953 19.3-139.9-125.6 157.0 37.3 5.9 -4.7 22 19 A G E -HI 29 95D 8 73,-2.2 73,-3.1 -2,-0.3 2,-0.4 -0.969 15.9-165.8-115.5 137.8 40.5 6.9 -3.1 23 20 A I E > -HI 28 94D 0 5,-2.6 5,-2.8 -2,-0.4 71,-0.2 -0.975 48.8 -1.7-123.0 137.7 42.0 4.7 -0.3 24 21 A G T 5S- 0 0 2 69,-2.2 42,-0.1 -2,-0.4 71,-0.1 -0.203 93.9 -45.0 85.9 179.9 44.8 5.8 2.1 25 22 A T T 5S+ 0 0 52 1,-0.2 42,-1.7 2,-0.1 43,-0.3 -0.972 134.9 28.0-133.3 119.2 46.8 9.0 2.5 26 23 A P T 5S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.667 119.7-108.9 -68.2 161.3 47.8 10.1 -0.0 27 24 A P T 5 - 0 0 86 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.360 21.7-153.9 -67.9 137.3 44.9 8.5 -1.8 28 25 A Q E < -H 23 0D 29 -5,-2.8 -5,-2.6 -2,-0.1 2,-0.2 -0.970 26.3-138.2 -99.1 118.6 45.3 5.5 -4.1 29 26 A T E -H 22 0D 50 -2,-0.6 2,-0.4 -7,-0.3 -7,-0.2 -0.511 22.1-172.7 -79.8 148.7 42.4 5.7 -6.6 30 27 A F E -H 21 0D 0 -9,-2.4 -9,-2.2 -2,-0.2 2,-0.5 -0.998 25.8-128.9-141.2 147.4 40.4 2.7 -7.7 31 28 A K E +H 20 0D 92 -2,-0.4 91,-2.7 -11,-0.2 92,-1.9 -0.855 42.8 170.8 -87.5 122.9 37.7 2.0 -10.2 32 29 A V E -Hj 19 123D 0 -13,-2.6 -13,-2.5 -2,-0.5 2,-0.4 -0.980 34.3-125.6-140.9 148.8 34.9 0.1 -8.4 33 30 A V E - j 0 124D 16 90,-1.7 92,-2.9 -2,-0.3 2,-0.7 -0.815 22.9-135.0 -91.7 132.2 31.3 -1.0 -9.0 34 31 A F E - j 0 125D 5 -2,-0.4 2,-0.6 -17,-0.4 92,-0.2 -0.838 30.5-168.0 -90.3 106.4 28.8 0.1 -6.5 35 32 A D E > - j 0 126D 18 90,-2.1 92,-3.9 -2,-0.7 3,-1.3 -0.872 27.1-176.0-115.9 106.7 26.9 -3.1 -5.8 36 33 A T T 3 S+ 0 0 0 -2,-0.6 162,-0.5 1,-0.2 93,-0.2 0.683 86.9 65.2 -71.7 -16.9 23.5 -3.3 -3.9 37 34 A G T 3 S+ 0 0 22 91,-0.1 2,-0.3 160,-0.1 -1,-0.2 0.367 106.7 42.1 -86.1 7.1 23.6 -7.1 -4.1 38 35 A S < - 0 0 13 -3,-1.3 90,-3.2 87,-0.1 89,-0.2 -0.945 60.2-154.0-148.1 173.5 26.7 -7.3 -1.9 39 36 A S + 0 0 1 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.361 59.4 89.7-133.4 3.9 28.1 -5.8 1.2 40 37 A N - 0 0 10 92,-0.1 86,-2.0 99,-0.1 2,-0.4 -0.789 58.4-140.7-108.9 149.1 31.9 -6.0 1.3 41 38 A V E +K 125 0D 5 63,-0.4 65,-2.8 -2,-0.3 2,-0.3 -0.899 32.8 161.3 -99.6 135.3 34.5 -3.5 -0.0 42 39 A W E +Kl 124 106D 1 82,-2.4 82,-1.5 -2,-0.4 65,-0.2 -0.976 18.1 178.8-150.3 152.5 37.5 -4.9 -1.8 43 40 A V E - l 0 107D 0 63,-2.8 65,-2.9 -2,-0.3 80,-0.1 -0.958 43.4 -85.2-139.8 161.2 40.4 -3.9 -4.1 44 41 A P E - l 0 108D 0 0, 0.0 17,-3.3 0, 0.0 2,-0.3 -0.335 47.1-129.5 -66.0 148.1 43.3 -5.8 -5.5 45 42 A S B > -o 61 0E 0 63,-3.0 3,-2.5 15,-0.3 17,-0.2 -0.744 13.7-128.6-102.4 142.4 46.4 -5.8 -3.3 46 43 A S T 3 S+ 0 0 42 15,-3.2 16,-0.1 -2,-0.3 -1,-0.1 0.747 113.2 64.2 -49.3 -23.2 50.0 -5.0 -4.0 47 44 A K T 3 S+ 0 0 118 14,-0.3 2,-0.6 61,-0.1 -1,-0.3 0.414 74.1 115.4 -83.1 -3.6 50.6 -8.4 -2.4 48 45 A a S < S- 0 0 8 -3,-2.5 62,-0.1 60,-0.3 61,-0.1 -0.613 72.5-119.7 -66.6 115.2 48.7 -10.1 -5.2 49 46 A S > - 0 0 54 -2,-0.6 3,-1.4 60,-0.5 6,-0.2 -0.101 10.9-122.1 -56.5 151.7 51.1 -12.3 -7.1 50 47 A R T 3 S+ 0 0 191 1,-0.3 6,-0.3 5,-0.1 -1,-0.1 0.756 105.4 82.4 -67.4 -24.1 51.8 -11.7 -10.8 51 47AA L T 3 S+ 0 0 157 1,-0.1 2,-1.0 2,-0.1 -1,-0.3 0.798 80.4 73.3 -50.4 -31.5 50.7 -15.3 -11.3 52 47BA Y S X> S- 0 0 78 -3,-1.4 4,-1.6 1,-0.2 3,-1.0 -0.778 70.6-167.2 -82.7 101.9 47.2 -13.7 -11.2 53 48 A T H 3> S+ 0 0 34 -2,-1.0 4,-1.7 1,-0.3 -1,-0.2 0.763 85.6 64.6 -67.5 -22.6 47.0 -11.9 -14.5 54 49 A A H 34 S+ 0 0 0 57,-0.5 4,-0.3 2,-0.2 -1,-0.3 0.861 102.8 49.1 -65.3 -33.0 43.9 -10.0 -13.3 55 50 A a H X4 S+ 0 0 3 -3,-1.0 3,-0.7 56,-0.3 -2,-0.2 0.857 106.9 55.1 -72.6 -33.3 46.2 -8.4 -10.7 56 51 A V H 3< S+ 0 0 52 -4,-1.6 -2,-0.2 -6,-0.3 -1,-0.2 0.908 111.3 46.1 -57.1 -39.7 48.7 -7.6 -13.4 57 52 A Y T 3< S+ 0 0 103 -4,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.347 108.8 58.5 -91.8 3.7 45.8 -5.8 -15.3 58 53 A H S < S- 0 0 24 -3,-0.7 2,-0.2 -4,-0.3 64,-0.1 -0.833 91.8 -85.8-126.5 170.8 44.3 -3.7 -12.4 59 54 A K - 0 0 93 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.551 43.6-147.4 -72.4 136.7 45.3 -1.1 -9.9 60 55 A L - 0 0 58 -2,-0.2 2,-0.6 -17,-0.1 -15,-0.3 -0.864 10.1-126.2-109.3 138.6 46.9 -2.6 -6.7 61 56 A F B -o 45 0E 0 -17,-3.3 -15,-3.2 -2,-0.4 2,-0.8 -0.752 18.9-158.2 -83.4 123.3 46.5 -1.2 -3.2 62 57 A D > - 0 0 43 -2,-0.6 3,-2.1 -17,-0.2 4,-0.1 -0.833 5.8-169.4-104.3 99.3 49.9 -0.7 -1.6 63 58 A A G > S+ 0 0 3 -2,-0.8 3,-2.2 1,-0.3 6,-0.3 0.876 82.6 62.1 -51.2 -43.7 49.4 -0.6 2.2 64 59 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.497 95.9 60.7 -69.7 -2.8 53.0 0.5 2.9 65 60 A D G < S+ 0 0 100 -3,-2.1 2,-0.4 -39,-0.0 -1,-0.3 0.288 93.6 77.9-102.1 9.1 52.5 3.8 1.0 66 61 A S < - 0 0 12 -3,-2.2 3,-0.2 -4,-0.1 -42,-0.1 -0.978 57.5-164.3-123.3 134.4 49.7 5.0 3.2 67 62 A S S S+ 0 0 102 -42,-1.7 -1,-0.1 -2,-0.4 -3,-0.0 0.675 92.6 55.5 -84.4 -23.1 50.1 6.5 6.7 68 63 A S S S+ 0 0 36 -43,-0.3 -1,-0.2 25,-0.1 2,-0.2 0.512 81.0 119.8 -89.0 -2.9 46.5 6.0 7.7 69 64 A Y - 0 0 53 -6,-0.3 2,-0.5 -3,-0.2 23,-0.2 -0.439 45.9-164.1 -63.9 132.8 46.6 2.3 7.0 70 65 A K E -M 91 0D 130 21,-3.0 21,-2.1 -2,-0.2 -1,-0.1 -0.955 17.4-126.6-123.5 116.9 45.9 0.1 9.9 71 66 A H E +M 90 0D 131 -2,-0.5 19,-0.2 19,-0.2 18,-0.0 -0.139 43.9 144.9 -57.9 145.7 46.9 -3.6 9.8 72 67 A N E - 0 0 63 17,-0.6 18,-0.2 2,-0.1 -1,-0.2 0.444 22.1-172.0-141.6 -52.5 44.4 -6.4 10.5 73 68 A G E + 0 0 32 16,-2.3 2,-0.2 1,-0.2 17,-0.1 0.473 24.7 153.7 66.5 5.5 45.3 -9.4 8.2 74 69 A T E - 0 0 83 15,-0.2 15,-2.4 1,-0.1 -1,-0.2 -0.489 52.2-106.4 -62.6 135.0 42.2 -11.5 9.0 75 70 A E E -M 88 0D 159 13,-0.2 2,-0.4 -2,-0.2 13,-0.3 -0.258 37.6-166.1 -71.1 142.1 41.5 -13.7 6.0 76 71 A L E -M 87 0D 10 11,-2.9 11,-2.4 31,-0.2 2,-0.4 -0.982 11.6-175.1-135.4 132.2 38.6 -12.9 3.7 77 72 A T E -M 86 0D 40 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.988 6.5-170.7-129.0 124.0 36.8 -14.9 1.0 78 73 A L E -M 85 0D 4 7,-2.5 7,-2.4 -2,-0.4 2,-0.5 -0.946 5.5-159.6-116.1 127.6 34.0 -13.5 -1.2 79 74 A R E +M 84 0D 149 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.915 14.5 174.9-115.8 116.7 31.9 -15.6 -3.5 80 75 A Y E > -M 83 0D 51 3,-3.4 3,-1.7 -2,-0.5 -42,-0.0 -0.750 49.2-100.7-114.7 172.1 30.1 -14.0 -6.4 81 76 A S T 3 S+ 0 0 63 1,-0.3 508,-0.3 -2,-0.3 507,-0.1 0.793 125.1 50.2 -58.2 -29.6 28.0 -15.4 -9.2 82 77 A T T 3 S- 0 0 46 1,-0.3 2,-0.3 506,-0.1 -1,-0.3 0.516 125.4 -73.2 -86.8 -11.0 31.2 -14.8 -11.4 83 78 A G E < -M 80 0D 24 -3,-1.7 -3,-3.4 32,-0.1 2,-0.4 -0.924 56.1 -63.8 140.5-171.3 33.8 -16.5 -9.1 84 79 A T E -M 79 0D 49 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.929 28.5-165.4-125.1 134.4 35.6 -16.1 -5.9 85 80 A V E -M 78 0D 1 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.3 -0.891 11.4-171.0-114.0 155.8 38.1 -13.6 -4.6 86 81 A S E +MN 77 110D 23 24,-1.5 23,-2.3 -2,-0.3 24,-1.7 -0.980 25.4 109.8-145.1 152.3 40.3 -14.1 -1.6 87 82 A G E -MN 76 108D 9 -11,-2.4 -11,-2.9 -2,-0.3 2,-0.3 -0.861 54.9 -76.8 173.9-142.5 42.6 -11.9 0.5 88 83 A F E -MN 75 107D 33 19,-1.9 19,-2.9 -13,-0.3 -13,-0.2 -0.955 40.8 -89.9-152.2 164.4 42.7 -10.3 4.0 89 84 A L E + N 0 106D 15 -15,-2.4 -16,-2.3 -2,-0.3 -17,-0.6 -0.522 37.2 173.0 -89.9 141.7 41.3 -7.3 5.9 90 85 A S E -MN 71 105D 0 15,-1.9 15,-2.4 -18,-0.2 2,-0.4 -0.967 22.2-136.6-140.3 149.2 42.9 -3.8 6.1 91 86 A Q E +MN 70 104D 54 -21,-2.1 -21,-3.0 -2,-0.3 2,-0.3 -0.928 38.4 135.4-107.6 136.3 41.7 -0.6 7.6 92 87 A D E - 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