==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-SEP-12 3VYE . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.TAKAHASHI,Y.MATSUI,H.HANZAWA . 670 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 71.8 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 . 206 30.7 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 . 84 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 7.9 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 0 1 2 0 1 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 . 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 . 4 9 6 5 7 6 1 0 0 1 1 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 1 3 0 1 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 L 0 0 124 0, 0.0 2,-0.5 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 86.2 205.3 212.6 98.8 2 2 A T - 0 0 102 146,-0.3 2,-0.6 147,-0.1 151,-0.3 -0.697 360.0-164.2 -83.1 122.1 207.0 212.3 95.4 3 3 A L + 0 0 61 -2,-0.5 151,-0.2 148,-0.2 149,-0.1 -0.934 12.5 175.3-109.4 114.1 205.0 214.0 92.7 4 4 A G - 0 0 25 -2,-0.6 148,-0.2 149,-0.6 149,-0.2 0.509 41.5 -96.2 -86.8-127.6 206.0 213.0 89.1 5 5 A N S S+ 0 0 140 147,-0.7 2,-0.3 146,-0.1 148,-0.2 0.320 74.5 117.2-144.5 9.2 204.2 214.0 85.9 6 6 A T B -a 153 0A 68 146,-3.6 148,-1.6 149,-0.0 2,-0.4 -0.652 35.2-174.8 -87.7 137.6 201.8 211.3 84.9 7 7 A T - 0 0 74 -2,-0.3 168,-0.2 146,-0.2 2,-0.2 -0.917 10.2-169.3-132.5 103.3 198.1 211.9 84.8 8 8 A S E -B 174 0B 12 166,-1.4 166,-2.7 -2,-0.4 2,-0.4 -0.539 5.3-156.4 -93.6 159.9 195.9 208.9 84.1 9 9 A S E -B 173 0B 53 91,-0.3 2,-0.5 164,-0.3 164,-0.2 -0.995 5.2-151.4-135.9 140.8 192.2 208.8 83.2 10 10 A V E -B 172 0B 7 162,-3.3 162,-2.2 -2,-0.4 2,-0.3 -0.961 18.1-137.5-113.5 122.4 189.8 206.0 83.6 11 11 A I E -B 171 0B 99 -2,-0.5 12,-0.4 160,-0.2 2,-0.4 -0.622 22.3-153.1 -79.3 136.2 186.9 205.9 81.2 12 12 A L E -B 170 0B 2 158,-2.6 158,-1.3 -2,-0.3 157,-1.2 -0.871 9.0-140.0-115.7 147.0 183.5 205.1 82.8 13 13 A T E -G 21 0C 70 8,-3.5 8,-1.9 -2,-0.4 2,-0.8 -0.860 18.0-137.8-103.3 131.4 180.4 203.6 81.5 14 14 A N E -G 20 0C 14 -2,-0.5 2,-0.6 6,-0.2 6,-0.2 -0.812 19.1-172.4 -95.4 110.3 177.0 205.0 82.6 15 15 A Y E >> S-G 19 0C 85 4,-2.9 4,-2.1 -2,-0.8 3,-2.1 -0.894 70.5 -35.1-103.4 114.4 174.5 202.4 83.4 16 16 A M T 34 S- 0 0 106 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.617 99.0 -81.1 51.5 18.1 171.0 203.8 84.2 17 17 A D T 34 S+ 0 0 25 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.567 127.4 81.6 65.9 6.8 172.4 206.9 85.9 18 18 A T T <4 S+ 0 0 13 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.619 87.1 42.4-114.4 -22.0 172.8 204.7 88.9 19 19 A Q E < -G 15 0C 30 -4,-2.1 -4,-2.9 207,-0.1 2,-0.6 -0.983 57.0-173.2-133.4 124.5 176.1 202.8 88.3 20 20 A Y E +G 14 0C 6 -2,-0.4 17,-0.6 -6,-0.2 2,-0.3 -0.949 20.8 169.2-117.6 112.9 179.3 204.2 86.8 21 21 A Y E -GH 13 36C 28 -8,-1.9 -8,-3.5 -2,-0.6 2,-0.3 -0.885 17.5-174.5-130.1 158.6 182.0 201.7 86.1 22 22 A G E - H 0 35C 2 13,-2.0 13,-2.7 -2,-0.3 2,-0.3 -0.802 32.0 -93.3-135.7 176.0 185.3 201.3 84.4 23 23 A E E + H 0 34C 97 -12,-0.4 77,-0.5 -2,-0.3 2,-0.3 -0.739 34.6 170.9-100.4 144.4 187.8 198.4 83.6 24 24 A I E -IH 99 33C 7 9,-1.8 9,-2.1 -2,-0.3 2,-0.4 -0.897 22.3-137.2-138.2 163.0 190.8 197.3 85.6 25 25 A G E -IH 98 32C 5 73,-1.7 73,-2.5 -2,-0.3 2,-0.4 -0.993 11.2-160.0-130.7 136.2 192.9 194.2 85.0 26 26 A I E > -IH 97 31C 0 5,-2.7 5,-1.4 -2,-0.4 71,-0.2 -0.950 50.4 -11.9-120.7 134.7 194.2 191.7 87.6 27 27 A G T 5S- 0 0 1 69,-1.9 42,-0.1 -2,-0.4 68,-0.1 -0.187 93.0 -33.8 81.4-172.9 197.1 189.3 87.2 28 28 A T T 5S+ 0 0 43 1,-0.2 42,-1.8 2,-0.1 43,-0.3 -0.980 133.1 26.7-137.9 120.1 199.1 188.1 84.2 29 29 A P T 5S- 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.620 118.1-104.6 -68.5 163.9 197.8 187.8 81.7 30 30 A P T 5 - 0 0 85 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.272 27.6-156.5 -60.2 139.0 195.3 190.5 82.8 31 31 A Q E < -H 26 0C 31 -5,-1.4 -5,-2.7 -4,-0.1 2,-0.2 -0.987 23.1-136.0-112.7 117.8 191.9 189.3 83.7 32 32 A T E -H 25 0C 67 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.531 24.2-178.8 -83.4 145.6 189.5 192.2 83.2 33 33 A F E -H 24 0C 1 -9,-2.1 -9,-1.8 -2,-0.2 2,-0.5 -0.980 26.9-128.0-139.6 147.2 186.8 193.2 85.7 34 34 A K E +H 23 0C 63 -2,-0.3 91,-3.2 -11,-0.2 92,-2.4 -0.847 41.0 176.8 -95.4 127.9 184.2 196.0 85.6 35 35 A V E -Hj 22 126C 0 -13,-2.7 -13,-2.0 -2,-0.5 2,-0.4 -0.934 30.4-129.5-136.2 160.9 184.4 197.9 88.9 36 36 A V E -Hj 21 127C 12 90,-2.0 92,-3.2 -2,-0.3 2,-0.9 -0.870 22.3-134.0-106.3 137.2 182.9 200.9 90.6 37 37 A F E - j 0 128C 6 -17,-0.6 2,-0.7 -2,-0.4 92,-0.2 -0.836 27.8-169.8 -96.2 107.2 185.2 203.5 92.2 38 38 A D E > - j 0 129C 17 90,-1.7 92,-2.5 -2,-0.9 3,-1.7 -0.837 25.6-175.4-106.4 104.2 183.8 204.2 95.6 39 39 A T T 3 S+ 0 0 1 -2,-0.7 158,-0.4 1,-0.3 93,-0.2 0.641 85.2 73.6 -67.4 -9.2 185.1 207.1 97.7 40 40 A G T 3 S+ 0 0 22 91,-0.1 -1,-0.3 156,-0.1 2,-0.3 0.479 104.6 24.8 -83.6 -2.1 182.8 205.7 100.3 41 41 A S < - 0 0 13 -3,-1.7 90,-1.7 87,-0.1 89,-0.5 -0.888 64.2-141.8-148.5 174.7 185.0 202.7 101.1 42 42 A S + 0 0 2 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.257 63.2 93.4-132.0 13.3 188.7 201.7 100.9 43 43 A N - 0 0 7 92,-0.1 86,-2.6 99,-0.1 2,-0.4 -0.728 57.8-141.4-107.1 160.4 189.0 198.1 99.8 44 44 A V E +K 128 0C 4 63,-0.4 65,-2.7 -2,-0.3 2,-0.3 -0.961 32.8 155.2-116.4 136.8 189.4 196.6 96.4 45 45 A W E -Kl 127 109C 0 82,-2.1 82,-1.5 -2,-0.4 65,-0.2 -0.990 19.6-179.2-158.7 154.0 187.6 193.3 95.6 46 46 A V E - l 0 110C 0 63,-1.8 65,-2.3 -2,-0.3 80,-0.2 -0.925 47.1 -79.0-145.0 162.5 186.2 191.3 92.8 47 47 A P E - l 0 111C 0 0, 0.0 17,-2.9 0, 0.0 2,-0.2 -0.451 47.1-129.0 -73.9 145.4 184.4 188.0 92.8 48 48 A S B > -p 64 0D 0 63,-3.3 3,-1.1 15,-0.3 17,-0.2 -0.522 11.2-132.3 -90.7 155.3 186.5 184.9 93.2 49 49 A S T 3 S+ 0 0 21 15,-2.1 16,-0.1 1,-0.3 -1,-0.1 0.604 110.0 65.5 -77.7 -11.0 186.5 181.7 91.0 50 50 A K T 3 S+ 0 0 107 14,-0.3 2,-0.5 61,-0.1 -1,-0.3 0.422 73.6 119.9 -90.2 1.2 186.3 180.0 94.4 51 51 A a S < S- 0 0 0 -3,-1.1 62,-0.1 60,-0.3 61,-0.1 -0.553 76.9-109.8 -71.4 118.3 182.9 181.5 95.0 52 52 A S > - 0 0 55 60,-0.7 3,-2.0 -2,-0.5 6,-0.2 -0.181 19.0-131.7 -46.0 132.8 180.4 178.6 95.4 53 53 A R T 3 S+ 0 0 133 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.421 99.9 83.3 -73.0 4.9 178.2 178.6 92.3 54 54 A L T 3 S+ 0 0 153 1,-0.1 2,-1.0 4,-0.0 -1,-0.3 0.617 76.1 80.1 -78.1 -14.6 175.2 178.4 94.8 55 55 A Y S X> S- 0 0 68 -3,-2.0 3,-1.3 1,-0.2 4,-1.1 -0.838 72.7-164.0 -90.9 101.9 175.7 182.2 94.8 56 56 A T H 3> S+ 0 0 67 -2,-1.0 4,-1.7 1,-0.3 -1,-0.2 0.788 84.8 66.7 -59.8 -29.2 174.0 183.1 91.6 57 57 A A H 34 S+ 0 0 0 57,-0.4 -1,-0.3 1,-0.2 -4,-0.1 0.852 100.2 51.8 -60.7 -32.8 175.6 186.5 91.6 58 58 A a H X4 S+ 0 0 1 -3,-1.3 3,-1.1 56,-0.3 -1,-0.2 0.846 105.2 53.8 -72.1 -32.1 178.9 184.7 91.1 59 59 A V H 3< S+ 0 0 83 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.842 109.9 50.6 -69.2 -29.3 177.4 182.8 88.1 60 60 A Y T 3< S+ 0 0 158 -4,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.069 107.4 56.2 -97.6 24.7 176.5 186.2 86.7 61 61 A H S < S- 0 0 26 -3,-1.1 2,-0.2 -5,-0.1 64,-0.1 -0.972 91.1 -84.8-150.0 162.2 179.9 188.0 87.0 62 62 A K - 0 0 90 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.495 45.0-148.9 -69.5 132.6 183.5 187.7 86.0 63 63 A L - 0 0 31 -2,-0.2 2,-0.4 -17,-0.1 -15,-0.3 -0.915 8.6-129.6-112.4 128.0 185.5 185.6 88.4 64 64 A F B -p 48 0D 0 -17,-2.9 -15,-2.1 -2,-0.5 2,-0.7 -0.587 20.1-161.3 -75.0 125.5 189.2 186.0 89.3 65 65 A D > - 0 0 47 -2,-0.4 3,-2.2 -17,-0.2 4,-0.1 -0.893 10.8-167.2-114.0 104.5 191.1 182.8 89.0 66 66 A A G > S+ 0 0 7 -2,-0.7 3,-1.9 1,-0.3 6,-0.2 0.802 85.7 69.4 -56.3 -32.9 194.4 182.8 90.8 67 67 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.536 98.0 50.8 -66.3 -5.4 195.4 179.6 89.0 68 68 A D G < S+ 0 0 102 -3,-2.2 2,-0.5 -39,-0.0 -1,-0.3 0.234 95.6 84.4-113.4 10.1 195.7 181.6 85.7 69 69 A S < - 0 0 13 -3,-1.9 3,-0.4 1,-0.1 -42,-0.1 -0.960 49.4-173.5-119.6 123.5 197.9 184.3 87.1 70 70 A S S S+ 0 0 109 -42,-1.8 -1,-0.1 -2,-0.5 -43,-0.0 0.602 89.9 57.8 -86.1 -11.3 201.7 184.0 87.3 71 71 A S S S+ 0 0 23 -43,-0.3 -1,-0.2 25,-0.1 -44,-0.1 0.483 81.3 122.0 -94.5 -4.3 201.9 187.3 89.2 72 72 A Y - 0 0 56 -3,-0.4 2,-0.4 -6,-0.2 23,-0.2 -0.244 43.3-165.9 -62.6 143.5 199.6 186.1 92.0 73 73 A K B -M 94 0C 120 21,-2.8 21,-1.8 0, 0.0 -2,-0.0 -0.983 18.4-131.1-133.6 118.8 200.8 186.0 95.6 74 74 A H + 0 0 135 -2,-0.4 19,-0.1 19,-0.2 18,-0.0 -0.142 42.5 142.9 -67.6 161.5 198.9 184.1 98.2 75 75 A N - 0 0 63 17,-0.3 18,-0.2 2,-0.0 -1,-0.1 0.050 24.4-168.5-158.4 -68.4 197.7 185.3 101.6 76 76 A G + 0 0 30 16,-2.9 17,-0.1 1,-0.2 3,-0.1 0.417 23.6 153.5 85.2 -3.5 194.3 184.0 102.5 77 77 A T - 0 0 77 15,-0.2 15,-3.0 14,-0.1 -1,-0.2 -0.403 51.5-106.5 -62.5 138.3 193.3 186.1 105.5 78 78 A E E -N 91 0C 132 13,-0.2 2,-0.4 31,-0.1 13,-0.3 -0.301 38.0-168.8 -67.4 148.1 189.5 186.3 105.8 79 79 A L E -N 90 0C 7 11,-3.4 11,-2.6 31,-0.1 2,-0.4 -1.000 11.5-172.7-142.7 137.5 187.8 189.5 104.9 80 80 A T E -N 89 0C 20 -2,-0.4 2,-0.7 9,-0.2 9,-0.2 -0.983 5.9-164.2-134.3 121.7 184.2 190.7 105.3 81 81 A L E -N 88 0C 6 7,-2.9 7,-2.2 -2,-0.4 2,-0.9 -0.909 4.0-168.1-109.5 110.6 182.9 194.0 103.8 82 82 A R E -N 87 0C 178 -2,-0.7 5,-0.2 5,-0.2 2,-0.1 -0.852 13.9-176.9-101.9 103.8 179.7 195.2 105.3 83 83 A Y E > -N 86 0C 60 3,-2.6 3,-0.6 -2,-0.9 -42,-0.0 -0.425 42.0 -97.4 -93.5 171.8 178.3 198.0 103.2 84 84 A S T 3 S+ 0 0 92 1,-0.2 216,-0.1 -2,-0.1 3,-0.1 0.782 122.3 27.2 -58.0 -32.5 175.2 200.1 103.8 85 85 A T T 3 S- 0 0 96 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.363 130.8 -16.5-116.5 5.6 173.1 198.0 101.4 86 86 A G E < -N 83 0C 20 -3,-0.6 -3,-2.6 32,-0.1 2,-0.3 -0.948 59.4-110.7 170.1 170.8 174.7 194.5 101.6 87 87 A T E -N 82 0C 52 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.920 15.3-165.9-129.0 150.7 177.8 192.5 102.5 88 88 A V E -N 81 0C 2 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.3 -0.973 10.7-168.4-130.9 149.3 180.5 190.5 100.7 89 89 A S E +NO 80 113C 16 24,-1.9 23,-2.4 -2,-0.3 24,-1.6 -0.976 26.4 100.4-141.5 153.0 182.9 188.0 102.1 90 90 A G E -NO 79 111C 9 -11,-2.6 -11,-3.4 -2,-0.3 2,-0.3 -0.925 57.9 -62.7 172.9-146.6 186.1 186.2 101.1 91 91 A F E -NO 78 110C 36 19,-1.6 19,-3.4 -13,-0.3 2,-0.3 -0.928 42.8 -98.7-135.2 160.2 189.8 186.3 101.6 92 92 A L E + O 0 109C 12 -15,-3.0 -16,-2.9 -2,-0.3 2,-0.3 -0.549 40.2 169.1 -81.3 135.0 192.8 188.6 100.8 93 93 A S E - 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