==== 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 23-DEC-10 3Q4B . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WU,B.M.MCKEEVER . 674 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 69.7 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 . 203 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 54 8.0 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 6 1 2 1 0 0 0 2 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 8 5 7 8 4 1 0 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 2 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 -2 A G 0 0 82 0, 0.0 148,-0.1 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 137.4 23.7 17.0 8.9 2 -1 A N + 0 0 136 147,-0.2 2,-0.3 150,-0.0 148,-0.2 0.105 360.0 128.0-135.9 26.1 22.7 18.3 5.4 3 0 A T B +a 150 0A 54 146,-2.8 148,-2.1 148,-0.0 2,-0.3 -0.661 28.4 178.6 -83.2 136.2 25.5 17.0 3.1 4 1 A T - 0 0 64 -2,-0.3 2,-0.2 146,-0.2 172,-0.2 -0.934 12.8-161.2-133.8 114.5 24.7 15.0 -0.0 5 2 A S E -B 175 0B 11 170,-1.1 170,-3.0 -2,-0.3 2,-0.3 -0.664 2.7-149.6 -99.2 157.3 27.6 13.9 -2.2 6 3 A S E -B 174 0B 59 -2,-0.2 2,-0.4 168,-0.2 168,-0.2 -0.905 4.5-163.6-121.5 141.9 27.7 12.7 -5.9 7 4 A V E -B 173 0B 13 166,-2.2 166,-1.8 -2,-0.3 2,-0.2 -0.989 19.4-135.2-129.5 120.7 30.0 10.3 -7.7 8 5 A I E -B 172 0B 105 -2,-0.4 12,-0.5 164,-0.2 2,-0.4 -0.465 23.2-150.6 -63.9 142.7 30.2 10.3 -11.5 9 6 A L E -B 171 0B 2 162,-2.5 162,-0.9 -2,-0.2 161,-0.5 -0.953 8.2-133.3-120.8 142.1 30.1 6.9 -13.0 10 7 A T E -G 18 0C 68 8,-2.8 8,-1.6 -2,-0.4 2,-0.6 -0.708 17.0-146.9 -83.9 139.4 31.6 5.6 -16.2 11 8 A N E -G 17 0C 16 -2,-0.3 2,-0.7 6,-0.2 6,-0.2 -0.954 10.7-167.0-107.2 111.1 29.2 3.6 -18.4 12 9 A Y E >> S-G 16 0C 73 4,-3.5 3,-2.1 -2,-0.6 4,-2.1 -0.902 70.9 -39.3-103.6 108.8 31.0 0.9 -20.3 13 10 A M T 34 S- 0 0 101 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.701 100.7 -74.4 51.9 30.0 28.8 -0.6 -23.0 14 11 A D T 34 S+ 0 0 30 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.663 128.7 80.4 64.5 12.4 25.7 -0.5 -20.8 15 12 A T T <4 S+ 0 0 34 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.558 87.6 43.7-123.1 -21.6 27.0 -3.5 -18.8 16 13 A Q E < +G 12 0C 32 -4,-2.1 -4,-3.5 211,-0.1 2,-0.4 -0.966 57.2 176.4-132.4 123.7 29.5 -2.1 -16.4 17 14 A Y E +G 11 0C 9 -2,-0.4 2,-0.3 -6,-0.2 17,-0.3 -0.981 17.9 152.0-123.7 133.7 29.0 1.1 -14.4 18 15 A Y E -G 10 0C 18 -8,-1.6 -8,-2.8 -2,-0.4 2,-0.2 -0.978 20.9-165.3-161.4 155.5 31.7 2.2 -11.9 19 16 A G E -H 32 0D 6 13,-2.3 13,-3.5 -2,-0.3 2,-0.3 -0.808 31.1 -83.0-140.8-178.8 33.1 5.2 -10.2 20 17 A E E +H 31 0D 115 -12,-0.5 2,-0.3 -2,-0.2 77,-0.3 -0.682 32.7 176.4 -96.6 141.9 36.2 6.3 -8.2 21 18 A I E -H 30 0D 3 9,-1.8 9,-2.2 -2,-0.3 2,-0.4 -0.946 21.1-138.2-124.1 161.5 37.0 5.9 -4.6 22 19 A G E -HI 29 95D 6 73,-1.7 73,-2.4 -2,-0.3 2,-0.4 -0.965 15.7-166.7-116.3 134.7 40.3 6.9 -2.8 23 20 A I E > +HI 28 94D 0 5,-2.8 5,-3.0 -2,-0.4 71,-0.2 -0.980 48.6 1.3-122.0 135.0 41.8 4.7 -0.1 24 21 A G T 5S- 0 0 6 69,-2.2 42,-0.1 -2,-0.4 71,-0.1 -0.279 93.0 -46.3 93.2-177.8 44.6 5.7 2.2 25 22 A T T 5S+ 0 0 58 1,-0.3 42,-2.0 2,-0.1 43,-0.3 -0.959 135.3 28.8-136.5 109.9 46.7 8.8 2.9 26 23 A P T 5S- 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.615 120.8-106.3 -70.7 155.6 47.6 10.0 0.3 27 24 A P T 5 - 0 0 90 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.263 24.9-151.8 -60.9 129.8 44.5 8.6 -1.6 28 25 A Q E < -H 23 0D 26 -5,-3.0 -5,-2.8 31,-0.0 2,-0.2 -0.932 24.8-129.5 -99.3 127.9 45.0 5.5 -3.9 29 26 A T E -H 22 0D 51 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.474 28.1-179.4 -81.0 134.6 42.4 5.6 -6.6 30 27 A F E -H 21 0D 0 -9,-2.2 -9,-1.8 -2,-0.2 2,-0.7 -1.000 28.1-132.4-137.4 145.4 40.2 2.7 -7.6 31 28 A K E +H 20 0D 99 -2,-0.4 91,-2.7 -11,-0.2 92,-2.0 -0.851 41.0 179.9 -87.7 118.2 37.5 2.0 -10.1 32 29 A V E -Hj 19 123D 0 -13,-3.5 -13,-2.3 -2,-0.7 2,-0.5 -0.950 30.9-132.1-126.7 147.4 34.6 0.4 -8.2 33 30 A V E - j 0 124D 17 90,-2.3 92,-2.9 -2,-0.4 2,-0.8 -0.805 21.7-138.4 -88.3 127.7 31.2 -1.0 -8.8 34 31 A F E - j 0 125D 7 -2,-0.5 2,-0.7 -17,-0.3 92,-0.2 -0.805 29.6-169.0 -85.0 106.2 28.6 0.2 -6.3 35 32 A D E > - j 0 126D 17 90,-1.9 92,-3.0 -2,-0.8 3,-1.2 -0.857 27.6-175.2-113.6 107.5 26.6 -3.0 -5.7 36 33 A T T 3 S+ 0 0 1 -2,-0.7 162,-0.4 1,-0.2 93,-0.2 0.626 86.1 65.6 -73.4 -11.5 23.3 -3.1 -3.8 37 34 A G T 3 S+ 0 0 21 91,-0.1 2,-0.3 160,-0.1 -1,-0.2 0.323 106.8 42.0 -91.0 8.7 23.3 -7.0 -4.1 38 35 A S < - 0 0 12 -3,-1.2 90,-2.8 87,-0.1 89,-0.4 -0.926 60.2-156.3-147.8 172.3 26.4 -7.2 -1.9 39 36 A S + 0 0 2 93,-0.3 2,-0.3 -2,-0.3 101,-0.2 0.355 59.4 90.4-136.9 3.9 27.8 -5.6 1.3 40 37 A N - 0 0 10 92,-0.1 86,-1.4 99,-0.1 2,-0.4 -0.824 60.8-138.4-106.0 146.4 31.6 -5.9 1.5 41 38 A V E +K 125 0D 4 63,-0.4 65,-2.7 -2,-0.3 2,-0.3 -0.858 32.9 162.2 -92.0 134.0 34.1 -3.5 0.1 42 39 A W E +Kl 124 106D 0 82,-2.4 82,-1.4 -2,-0.4 65,-0.2 -0.985 17.0 173.6-151.4 149.0 37.2 -4.9 -1.7 43 40 A V E - l 0 107D 0 63,-1.9 65,-2.7 -2,-0.3 80,-0.1 -0.944 46.4 -81.2-139.5 162.5 40.0 -3.9 -4.0 44 41 A P E - l 0 108D 0 0, 0.0 17,-3.2 0, 0.0 2,-0.3 -0.387 46.2-129.5 -66.5 143.2 43.1 -5.8 -5.3 45 42 A S B > -o 61 0E 0 63,-3.0 3,-2.1 15,-0.3 17,-0.2 -0.663 13.1-128.7 -92.3 147.3 46.1 -5.9 -3.0 46 43 A S T 3 S+ 0 0 40 15,-3.2 16,-0.1 1,-0.3 -1,-0.1 0.747 112.4 63.8 -57.7 -22.6 49.8 -5.1 -3.8 47 44 A K T 3 S+ 0 0 118 14,-0.3 2,-0.6 61,-0.1 -1,-0.3 0.369 74.1 116.0 -86.1 0.6 50.4 -8.6 -2.2 48 45 A a S < S- 0 0 10 -3,-2.1 62,-0.1 60,-0.2 61,-0.1 -0.676 70.9-122.2 -70.7 118.9 48.4 -10.2 -5.1 49 46 A S > - 0 0 50 -2,-0.6 3,-1.7 60,-0.5 6,-0.2 -0.210 12.2-119.2 -54.4 146.2 50.9 -12.4 -7.0 50 47 A R T 3 S+ 0 0 190 1,-0.3 6,-0.3 5,-0.1 -1,-0.1 0.802 105.6 83.4 -59.1 -30.2 51.5 -11.9 -10.7 51 47AA L T 3 S+ 0 0 158 1,-0.2 2,-1.2 2,-0.1 -1,-0.3 0.747 78.6 76.0 -46.9 -23.3 50.2 -15.4 -11.2 52 47BA Y X> - 0 0 75 -3,-1.7 3,-1.5 1,-0.2 4,-1.5 -0.802 69.6-167.8 -94.6 93.2 46.8 -13.7 -11.1 53 48 A T H 3> S+ 0 0 38 -2,-1.2 4,-1.5 1,-0.3 -1,-0.2 0.792 87.5 62.9 -48.2 -31.7 46.7 -12.1 -14.5 54 49 A A H 34 S+ 0 0 0 57,-0.5 4,-0.3 1,-0.2 -1,-0.3 0.868 101.0 50.6 -68.4 -31.3 43.7 -10.2 -13.1 55 50 A a H X4 S+ 0 0 3 -3,-1.5 3,-0.7 56,-0.3 -1,-0.2 0.845 106.1 55.4 -71.8 -32.6 46.0 -8.6 -10.6 56 51 A V H 3< S+ 0 0 48 -4,-1.5 -2,-0.2 -6,-0.3 -1,-0.2 0.862 110.2 46.9 -60.4 -35.9 48.4 -7.6 -13.3 57 52 A Y T 3< S+ 0 0 121 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.345 107.7 61.7-100.0 7.4 45.6 -5.8 -15.2 58 53 A H S < S- 0 0 23 -3,-0.7 2,-0.1 -4,-0.3 64,-0.1 -0.884 90.1 -89.6-127.8 164.2 44.1 -3.8 -12.3 59 54 A K - 0 0 85 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.442 43.7-147.4 -66.0 136.5 45.1 -1.1 -9.8 60 55 A L - 0 0 57 -2,-0.1 2,-0.5 -17,-0.1 -15,-0.3 -0.880 8.9-126.7-114.7 140.8 46.6 -2.6 -6.6 61 56 A F B -o 45 0E 0 -17,-3.2 -15,-3.2 -2,-0.4 2,-0.7 -0.787 19.2-156.2 -85.7 126.4 46.3 -1.2 -3.1 62 57 A D > - 0 0 49 -2,-0.5 3,-1.3 -17,-0.2 4,-0.1 -0.901 7.9-168.9-108.1 106.3 49.7 -0.7 -1.3 63 58 A A G > S+ 0 0 4 -2,-0.7 3,-2.3 1,-0.3 6,-0.2 0.921 84.6 63.7 -56.5 -48.5 49.3 -0.8 2.4 64 59 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.726 97.4 56.8 -46.9 -29.7 53.0 0.4 2.9 65 60 A D G < S+ 0 0 105 -3,-1.3 2,-0.5 2,-0.0 -1,-0.3 0.401 92.9 82.0 -93.9 5.1 52.2 3.7 1.1 66 61 A S < - 0 0 12 -3,-2.3 3,-0.1 -4,-0.1 -42,-0.1 -0.944 53.5-167.6-119.3 131.0 49.5 4.8 3.4 67 62 A S S S+ 0 0 103 -42,-2.0 -1,-0.1 -2,-0.5 -4,-0.0 0.756 91.4 52.9 -81.7 -29.4 49.9 6.5 6.8 68 63 A S S S+ 0 0 26 -43,-0.3 -1,-0.2 25,-0.1 -44,-0.1 0.585 83.0 118.9 -81.7 -8.9 46.3 6.0 7.9 69 64 A Y - 0 0 48 -6,-0.2 2,-0.5 -44,-0.2 23,-0.2 -0.342 45.9-164.2 -65.7 133.5 46.4 2.3 7.2 70 65 A K E -M 91 0D 138 21,-2.5 21,-2.0 -2,-0.0 -1,-0.1 -0.980 18.7-123.6-119.7 124.9 45.8 -0.0 10.2 71 66 A H E +M 90 0D 137 -2,-0.5 19,-0.2 19,-0.2 18,-0.0 -0.184 43.0 148.1 -56.9 144.2 46.6 -3.8 10.0 72 67 A N E - 0 0 70 17,-0.7 18,-0.2 2,-0.1 -1,-0.1 0.343 21.1-171.9-135.2 -59.4 44.0 -6.5 10.6 73 68 A G E + 0 0 31 16,-2.8 17,-0.1 1,-0.2 3,-0.1 0.403 23.9 154.1 85.3 -2.8 45.0 -9.5 8.4 74 69 A T E - 0 0 82 15,-0.2 15,-2.2 14,-0.1 -1,-0.2 -0.376 52.2-103.3 -62.5 134.1 41.8 -11.6 9.1 75 70 A E E -M 88 0D 133 13,-0.2 2,-0.4 -2,-0.1 13,-0.3 -0.237 40.4-169.5 -52.2 136.9 41.1 -14.1 6.2 76 71 A L E -M 87 0D 10 11,-2.7 11,-2.4 31,-0.1 2,-0.4 -0.982 11.8-178.7-135.0 134.5 38.2 -13.0 3.8 77 72 A T E -M 86 0D 27 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.995 5.5-172.0-129.6 123.1 36.5 -15.0 1.1 78 73 A L E -M 85 0D 5 7,-2.8 7,-2.8 -2,-0.4 2,-0.5 -0.978 4.7-162.9-117.9 123.0 33.7 -13.4 -1.0 79 74 A R E +M 84 0D 139 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.913 14.3 170.8-108.4 121.0 31.6 -15.6 -3.5 80 75 A Y - 0 0 54 3,-3.1 3,-0.5 -2,-0.5 -42,-0.0 -0.691 52.5 -97.2-113.5-179.5 29.6 -14.0 -6.2 81 76 A S S S+ 0 0 67 -2,-0.2 507,-0.4 1,-0.2 506,-0.1 0.860 125.6 52.7 -55.8 -38.9 27.7 -15.3 -9.2 82 77 A T S S- 0 0 46 1,-0.2 2,-0.3 505,-0.1 -1,-0.2 0.675 123.3 -77.2 -75.3 -22.1 30.9 -14.4 -11.2 83 78 A G - 0 0 21 -3,-0.5 -3,-3.1 32,-0.1 2,-0.4 -0.949 54.0 -59.8 150.0-171.9 33.4 -16.3 -9.1 84 79 A T E -M 79 0D 52 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.922 33.1-172.5-115.5 138.7 35.3 -16.2 -5.8 85 80 A V E -M 78 0D 1 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.3 -0.941 8.3-175.8-123.2 152.9 37.8 -13.7 -4.5 86 81 A S E +MN 77 110D 16 24,-1.5 23,-2.6 -2,-0.3 24,-1.9 -0.970 23.1 113.6-143.1 153.3 39.9 -14.0 -1.3 87 82 A G E -MN 76 108D 10 -11,-2.4 -11,-2.7 -2,-0.3 2,-0.3 -0.827 55.5 -76.7 179.7-135.9 42.4 -12.0 0.7 88 83 A F E -MN 75 107D 36 19,-1.8 19,-3.3 -13,-0.3 -13,-0.2 -0.944 41.0 -89.2-149.3 163.4 42.4 -10.4 4.1 89 84 A L E + N 0 106D 19 -15,-2.2 -16,-2.8 -2,-0.3 -17,-0.7 -0.533 38.4 171.5 -82.5 140.7 41.0 -7.4 6.0 90 85 A S E -MN 71 105D 0 15,-2.4 15,-2.4 -2,-0.2 2,-0.4 -0.932 21.7-137.8-137.0 158.5 42.6 -4.0 6.3 91 86 A Q E +MN 70 104D 53 -21,-2.0 -21,-2.5 -2,-0.3 2,-0.3 -0.959 36.2 134.8-118.8 140.3 41.4 -0.7 7.7 92 87 A D E - N 0 103D 0 11,-1.8 11,-3.2 -2,-0.4 2,-0.4 -0.968 55.5 -77.1-165.2 179.4 41.9 2.7 6.2 93 88 A I E - 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