==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-NOV-09 3KM4 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WU,B.M.MCKEEVER . 670 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 210 31.3 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 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 8.7 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 5 2 1 1 1 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 . 3 7 7 4 7 6 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 . 0 2 1 1 2 0 1 2 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 83 0, 0.0 148,-0.2 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 178.6 24.0 17.4 8.6 2 5 A N + 0 0 121 147,-0.3 2,-0.5 2,-0.1 148,-0.2 0.040 360.0 136.0-142.5 23.0 23.1 18.8 5.2 3 6 A T B +a 150 0A 52 146,-3.5 148,-2.0 2,-0.0 2,-0.3 -0.678 24.5 179.3 -85.2 123.8 25.4 17.1 2.6 4 7 A T - 0 0 82 -2,-0.5 2,-0.3 146,-0.2 172,-0.2 -0.822 19.6-171.4-101.3 156.2 24.1 15.8 -0.6 5 8 A S E -B 175 0B 16 170,-1.3 170,-3.9 -2,-0.3 2,-0.3 -0.973 9.5-155.7-155.8 134.7 27.0 14.4 -2.5 6 9 A S E -B 174 0B 60 -2,-0.3 2,-0.4 168,-0.3 168,-0.2 -0.895 5.5-163.9-122.2 149.3 27.4 13.1 -6.1 7 10 A V E -B 173 0B 9 166,-2.5 166,-2.2 -2,-0.3 2,-0.2 -0.977 21.1-133.5-133.2 120.9 29.8 10.7 -7.8 8 11 A I E -B 172 0B 111 -2,-0.4 12,-0.4 164,-0.2 2,-0.4 -0.457 21.2-151.8 -75.9 133.5 30.1 10.6 -11.6 9 12 A L E -B 171 0B 2 162,-2.8 162,-0.8 -2,-0.2 161,-0.6 -0.882 7.4-138.4-107.2 144.2 29.9 7.1 -13.3 10 13 A T E -G 18 0C 72 8,-3.1 8,-2.0 -2,-0.4 2,-0.7 -0.802 17.4-142.5 -89.9 141.1 31.5 6.0 -16.4 11 14 A N E -G 17 0C 13 -2,-0.4 2,-0.8 6,-0.2 6,-0.2 -0.918 8.6-160.5-105.9 115.6 29.3 3.8 -18.5 12 15 A Y E >> S-G 16 0C 70 4,-3.9 3,-2.3 -2,-0.7 4,-2.2 -0.910 73.0 -42.4 -97.3 108.4 31.2 1.0 -20.3 13 16 A M T 34 S- 0 0 117 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.702 102.2 -70.7 51.1 32.3 29.0 -0.2 -23.2 14 17 A D T 34 S+ 0 0 30 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.600 129.3 79.2 59.6 15.5 25.8 -0.1 -21.1 15 18 A T T <4 S+ 0 0 39 -3,-2.3 2,-0.5 1,-0.3 -2,-0.2 0.556 88.3 48.8-121.4 -18.5 26.8 -3.1 -19.0 16 19 A Q E < +G 12 0C 26 -4,-2.2 -4,-3.9 211,-0.1 2,-0.5 -0.970 54.7 179.1-128.8 130.2 29.3 -1.5 -16.5 17 20 A Y E +G 11 0C 7 -2,-0.5 17,-0.5 -6,-0.2 2,-0.3 -0.961 17.6 160.9-122.3 116.1 28.8 1.5 -14.5 18 21 A Y E -GH 10 33C 18 -8,-2.0 -8,-3.1 -2,-0.5 15,-0.2 -0.936 18.3-167.2-139.7 155.5 31.6 2.6 -12.2 19 22 A G E - H 0 32C 3 13,-2.6 13,-3.0 -2,-0.3 2,-0.3 -0.684 31.4 -94.0-127.9 179.4 32.8 5.7 -10.3 20 23 A E E + H 0 31C 125 -12,-0.4 77,-0.4 11,-0.2 2,-0.3 -0.788 32.5 179.8-107.1 142.7 36.0 6.6 -8.5 21 24 A I E - H 0 30C 2 9,-2.1 9,-2.5 -2,-0.3 2,-0.4 -0.946 18.4-140.7-128.9 157.8 36.9 6.3 -4.8 22 25 A G E -IH 95 29C 2 73,-1.9 73,-2.9 -2,-0.3 2,-0.4 -0.961 15.0-169.0-121.0 138.0 40.1 7.2 -3.0 23 26 A I E > +IH 94 28C 0 5,-2.0 5,-3.3 -2,-0.4 71,-0.2 -0.995 46.6 2.5-129.9 130.8 41.5 5.0 -0.3 24 27 A G T 5S- 0 0 3 69,-2.5 42,-0.1 -2,-0.4 68,-0.1 -0.239 91.4 -40.2 98.3 178.7 44.4 6.1 2.0 25 28 A T T 5S+ 0 0 56 1,-0.3 42,-2.3 2,-0.1 43,-0.2 -0.960 137.8 20.1-130.0 107.3 46.7 9.0 2.7 26 29 A P T 5S- 0 0 91 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.697 119.1-108.5 -77.0 167.5 47.4 10.1 0.1 27 30 A P T 5 - 0 0 76 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.434 21.3-152.8 -76.7 133.7 44.4 8.6 -1.7 28 31 A Q E < -H 23 0C 30 -5,-3.3 -5,-2.0 -2,-0.1 2,-0.3 -0.912 27.1-132.0 -95.0 125.4 45.0 5.7 -4.2 29 32 A T E -H 22 0C 49 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.583 25.8-176.7 -90.5 142.9 42.1 5.9 -6.7 30 33 A F E -H 21 0C 1 -9,-2.5 -9,-2.1 -2,-0.3 2,-0.5 -0.995 27.0-130.0-138.5 141.3 40.0 3.0 -7.8 31 34 A K E +H 20 0C 92 -2,-0.4 91,-2.4 -11,-0.2 92,-1.9 -0.819 41.0 180.0 -87.3 126.6 37.2 2.5 -10.2 32 35 A V E -Hj 19 123C 0 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.4 -0.986 31.0-131.5-136.7 142.8 34.4 0.8 -8.4 33 36 A V E -Hj 18 124C 15 90,-1.7 92,-2.7 -2,-0.4 2,-0.7 -0.723 23.4-138.0 -81.0 135.5 30.8 -0.6 -9.1 34 37 A F E - j 0 125C 3 -17,-0.5 2,-0.7 -2,-0.4 92,-0.2 -0.913 27.4-168.3-104.4 107.1 28.4 0.6 -6.5 35 38 A D E > - j 0 126C 21 90,-2.2 92,-2.5 -2,-0.7 3,-1.6 -0.866 26.6-172.7-113.3 100.9 26.4 -2.6 -6.0 36 39 A T T 3 S+ 0 0 0 -2,-0.7 162,-0.5 1,-0.3 93,-0.2 0.614 86.6 70.5 -71.0 -7.4 23.1 -2.6 -4.0 37 40 A G T 3 S+ 0 0 23 91,-0.1 2,-0.3 160,-0.1 -1,-0.3 0.473 104.3 36.3 -81.3 -3.9 23.2 -6.5 -4.3 38 41 A S < - 0 0 14 -3,-1.6 90,-3.1 87,-0.1 89,-0.3 -0.937 61.0-150.1-148.7 166.5 26.1 -6.8 -1.9 39 42 A S + 0 0 2 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.400 61.2 89.3-127.4 0.4 27.5 -5.2 1.2 40 43 A N - 0 0 9 92,-0.1 86,-1.0 99,-0.1 2,-0.5 -0.816 59.5-139.3-101.3 148.5 31.3 -5.4 1.3 41 44 A V E +K 125 0C 3 63,-0.4 65,-3.0 -2,-0.3 2,-0.3 -0.868 33.3 163.9 -96.6 130.7 33.9 -3.0 -0.0 42 45 A W E -Kl 124 106C 0 82,-2.9 82,-2.1 -2,-0.5 65,-0.2 -0.990 19.0-179.4-144.7 157.7 36.9 -4.5 -1.7 43 46 A V E - l 0 107C 0 63,-2.4 65,-2.9 -2,-0.3 80,-0.1 -0.927 44.1 -88.9-137.9 156.3 39.8 -3.6 -4.0 44 47 A P E - l 0 108C 0 0, 0.0 17,-3.0 0, 0.0 2,-0.3 -0.430 47.4-130.7 -66.7 151.0 42.6 -5.7 -5.5 45 48 A S B > -o 61 0D 0 63,-2.6 3,-1.7 15,-0.3 17,-0.2 -0.682 15.3-125.8-102.0 151.4 45.7 -5.8 -3.2 46 49 A S T 3 S+ 0 0 45 15,-2.5 16,-0.1 -2,-0.3 -1,-0.1 0.656 114.4 64.4 -66.0 -11.6 49.4 -5.2 -4.0 47 50 A K T 3 S+ 0 0 119 14,-0.3 2,-0.4 61,-0.1 -1,-0.2 0.518 74.8 111.5 -87.5 -6.1 49.7 -8.7 -2.4 48 51 A a S < S- 0 0 6 -3,-1.7 62,-0.1 60,-0.3 61,-0.1 -0.611 76.0-118.6 -68.9 125.5 47.7 -10.3 -5.1 49 52 A S > - 0 0 51 60,-0.7 3,-2.7 -2,-0.4 6,-0.3 -0.320 10.1-124.9 -70.0 141.6 50.0 -12.5 -7.1 50 53 A R T 3 S+ 0 0 171 1,-0.3 6,-0.1 5,-0.1 -1,-0.1 0.567 102.6 86.7 -66.7 -4.5 50.5 -11.7 -10.9 51 54 A L T 3 S+ 0 0 150 1,-0.1 2,-0.9 4,-0.1 -1,-0.3 0.820 79.6 72.2 -56.2 -30.3 49.4 -15.3 -11.4 52 55 A Y S X> S- 0 0 70 -3,-2.7 3,-1.5 1,-0.2 4,-0.6 -0.806 74.9-160.7 -86.9 112.6 46.0 -13.6 -11.4 53 56 A T H >> S+ 0 0 38 -2,-0.9 4,-2.6 1,-0.3 3,-1.8 0.876 90.2 65.6 -58.8 -34.8 45.9 -11.7 -14.6 54 57 A A H 3> S+ 0 0 0 57,-0.5 4,-1.7 1,-0.3 -1,-0.3 0.810 100.2 52.1 -55.1 -30.3 43.1 -9.6 -13.1 55 58 A a H <4 S+ 0 0 1 -3,-1.5 -1,-0.3 -6,-0.3 -2,-0.2 0.599 108.7 49.7 -81.9 -13.2 45.8 -8.4 -10.7 56 59 A V H << S+ 0 0 46 -3,-1.8 -2,-0.2 -4,-0.6 -1,-0.1 0.826 117.2 40.1 -80.6 -41.5 48.0 -7.4 -13.6 57 60 A Y H < S+ 0 0 74 -4,-2.6 -2,-0.2 2,-0.1 -3,-0.2 0.847 110.0 64.6 -79.5 -33.2 45.3 -5.5 -15.5 58 61 A H S < S- 0 0 10 -4,-1.7 2,-0.2 -5,-0.3 63,-0.1 -0.447 89.3 -94.3 -96.4 162.6 43.6 -3.7 -12.5 59 62 A K - 0 0 93 -2,-0.1 2,-0.4 -28,-0.1 -1,-0.1 -0.515 40.0-147.0 -71.1 143.6 44.8 -1.1 -10.0 60 63 A L - 0 0 48 -2,-0.2 2,-0.5 -17,-0.1 -15,-0.3 -0.864 10.0-126.4-119.0 139.0 46.1 -2.4 -6.7 61 64 A F B -o 45 0D 0 -17,-3.0 -15,-2.5 -2,-0.4 2,-0.7 -0.722 19.3-161.4 -81.4 124.8 46.0 -1.0 -3.2 62 65 A D > - 0 0 48 -2,-0.5 3,-1.7 -17,-0.2 4,-0.2 -0.890 3.7-169.1-109.9 99.8 49.4 -0.7 -1.6 63 66 A A G > S+ 0 0 4 -2,-0.7 3,-1.9 1,-0.3 6,-0.3 0.763 82.8 63.7 -55.8 -36.3 48.9 -0.4 2.2 64 67 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.694 97.4 58.5 -74.1 -11.1 52.5 0.5 2.8 65 68 A D G < S+ 0 0 101 -3,-1.7 2,-0.5 1,-0.0 -1,-0.3 0.465 93.8 81.2 -90.1 -0.0 52.0 3.7 0.8 66 69 A S X - 0 0 10 -3,-1.9 3,-0.6 -4,-0.2 -42,-0.1 -0.910 56.4-166.5-115.2 126.0 49.2 4.8 3.1 67 70 A S T 3 S+ 0 0 105 -42,-2.3 -1,-0.1 -2,-0.5 -4,-0.0 0.771 92.5 51.8 -81.1 -23.8 49.9 6.6 6.4 68 71 A S T 3 S+ 0 0 36 -43,-0.2 -1,-0.2 25,-0.1 -44,-0.1 0.502 82.0 122.8 -86.6 -6.0 46.3 6.1 7.6 69 72 A Y < - 0 0 49 -3,-0.6 2,-0.5 -6,-0.3 23,-0.2 -0.298 44.7-163.5 -53.4 134.0 46.3 2.4 6.9 70 73 A K E -M 91 0C 129 21,-3.0 21,-2.1 0, 0.0 2,-0.1 -0.992 18.7-125.4-124.2 123.8 45.5 0.2 9.9 71 74 A H E +M 90 0C 126 -2,-0.5 19,-0.2 19,-0.2 18,-0.0 -0.331 42.8 149.8 -60.1 141.5 46.3 -3.5 9.7 72 75 A N E - 0 0 63 17,-0.7 18,-0.2 2,-0.1 -1,-0.2 0.419 18.1-175.7-126.6 -66.5 43.7 -6.1 10.4 73 76 A G E + 0 0 32 16,-3.6 17,-0.1 1,-0.3 3,-0.1 0.303 25.3 147.5 93.7 -6.7 44.6 -9.2 8.3 74 77 A T E - 0 0 83 15,-0.2 15,-2.8 14,-0.1 -1,-0.3 -0.332 56.4-102.8 -59.5 138.4 41.5 -11.4 9.1 75 78 A E E -M 88 0C 147 13,-0.2 2,-0.4 31,-0.0 13,-0.3 -0.424 36.4-167.3 -69.1 145.6 40.7 -13.6 6.1 76 79 A L E -M 87 0C 8 11,-2.4 11,-2.4 31,-0.2 2,-0.5 -0.997 7.7-178.7-131.4 128.1 37.7 -12.6 3.8 77 80 A T E -M 86 0C 39 -2,-0.4 2,-0.7 9,-0.2 9,-0.2 -0.987 6.4-168.0-130.0 116.4 36.2 -14.8 1.2 78 81 A L E -M 85 0C 6 7,-2.8 7,-2.4 -2,-0.5 2,-1.3 -0.910 5.9-165.4-110.5 106.6 33.3 -13.4 -0.9 79 82 A R E -M 84 0C 137 -2,-0.7 5,-0.2 5,-0.2 7,-0.0 -0.476 9.8-178.6-102.7 64.5 31.8 -16.3 -2.7 80 83 A Y E > -M 83 0C 60 -2,-1.3 3,-0.7 3,-0.6 -2,-0.0 -0.182 39.5-115.5 -57.9 155.3 29.6 -14.7 -5.3 81 84 A S T 3 S+ 0 0 31 1,-0.3 504,-0.3 2,-0.1 -1,-0.1 0.743 116.4 49.4 -69.2 -22.7 27.7 -17.2 -7.5 82 85 A T T 3 S- 0 0 43 1,-0.3 -1,-0.3 502,-0.1 2,-0.2 0.639 130.8 -23.7 -85.0 -22.4 29.7 -16.0 -10.4 83 86 A G E < -M 80 0C 14 -3,-0.7 -3,-0.6 32,-0.1 -1,-0.3 -0.652 60.6-115.4 165.7 128.7 33.1 -16.3 -8.9 84 87 A T E -M 79 0C 52 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.593 22.5-166.9 -76.3 135.5 34.8 -16.2 -5.5 85 88 A V E -M 78 0C 1 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.3 -0.943 11.0-175.9-115.0 152.9 37.2 -13.5 -4.5 86 89 A S E +MN 77 110C 10 24,-1.4 23,-2.3 -2,-0.3 24,-1.9 -0.973 23.0 106.3-142.1 150.9 39.4 -13.9 -1.4 87 90 A G E -MN 76 108C 8 -11,-2.4 -11,-2.4 -2,-0.3 2,-0.3 -0.860 56.4 -62.2 176.7-130.9 41.9 -11.9 0.6 88 91 A F E -MN 75 107C 32 19,-2.4 19,-3.4 -13,-0.3 2,-0.2 -0.979 39.4 -97.2-145.0 156.8 42.1 -10.1 3.9 89 92 A L E + N 0 106C 15 -15,-2.8 -16,-3.6 -2,-0.3 -17,-0.7 -0.494 39.7 168.9 -76.1 137.3 40.6 -7.3 5.9 90 93 A S E -MN 71 105C 0 15,-2.9 15,-2.7 -2,-0.2 2,-0.4 -0.945 21.7-141.2-138.9 157.1 42.2 -3.9 6.1 91 94 A Q E +MN 70 104C 53 -21,-2.1 -21,-3.0 -2,-0.3 2,-0.3 -0.981 34.1 135.3-124.1 139.5 41.1 -0.5 7.4 92 95 A D E - 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