==== 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 3VYF . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.TAKAHASHI,H.HANZAWA . 671 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 72.4 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 . 207 30.8 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 . 81 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 7 1 1 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 . 6 7 7 7 5 6 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 . 1 2 2 0 4 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 0 120 0, 0.0 2,-0.5 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 108.8 205.4 212.4 98.7 2 2 A T - 0 0 98 146,-0.4 2,-0.5 0, 0.0 151,-0.2 -0.867 360.0-162.0-101.4 127.3 207.0 212.1 95.3 3 3 A L + 0 0 60 -2,-0.5 151,-0.2 149,-0.1 149,-0.1 -0.929 11.2 175.9-113.0 130.7 205.2 213.8 92.4 4 4 A G - 0 0 33 149,-1.6 148,-0.2 -2,-0.5 149,-0.2 0.204 42.3-100.0-101.6-135.9 205.9 212.9 88.8 5 5 A N S S+ 0 0 130 147,-0.6 2,-0.2 146,-0.1 149,-0.2 0.470 77.5 113.9-130.0 -13.3 204.2 214.2 85.7 6 6 A T B +a 153 0A 67 146,-1.8 148,-1.6 147,-0.1 2,-0.4 -0.406 35.3 178.9 -71.3 133.3 201.8 211.4 84.8 7 7 A T - 0 0 65 146,-0.2 2,-0.3 -2,-0.2 169,-0.2 -0.976 13.1-164.8-127.0 139.0 198.0 211.9 85.0 8 8 A S E -B 175 0B 16 167,-2.8 167,-3.2 -2,-0.4 2,-0.4 -0.874 5.5-152.0-126.4 161.4 195.9 208.9 84.0 9 9 A S E -B 174 0B 54 91,-0.5 2,-0.5 -2,-0.3 165,-0.2 -0.984 5.0-154.8-135.9 146.6 192.2 208.5 83.1 10 10 A V E -B 173 0B 6 163,-2.5 163,-2.2 -2,-0.4 2,-0.4 -0.979 20.5-136.4-120.4 119.7 189.7 205.7 83.4 11 11 A I E -B 172 0B 96 -2,-0.5 12,-0.4 161,-0.2 2,-0.3 -0.620 24.1-155.3 -76.3 128.4 186.8 205.7 81.0 12 12 A L E -B 171 0B 2 159,-2.7 159,-1.2 -2,-0.4 158,-0.8 -0.767 7.2-138.3-106.2 152.6 183.6 204.9 82.8 13 13 A T E -G 21 0C 63 8,-3.1 8,-1.9 -2,-0.3 2,-0.7 -0.900 17.5-132.8-108.8 137.9 180.4 203.4 81.4 14 14 A N E -G 20 0C 8 152,-0.5 2,-0.6 -2,-0.4 6,-0.2 -0.825 19.4-170.1 -97.5 115.4 177.1 204.8 82.6 15 15 A Y E >> S-G 19 0C 79 4,-2.5 4,-2.4 -2,-0.7 3,-2.1 -0.913 71.2 -37.9-107.4 112.4 174.5 202.2 83.6 16 16 A M T 34 S- 0 0 107 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.652 100.1 -78.8 48.3 22.7 171.0 203.6 84.2 17 17 A D T 34 S+ 0 0 26 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.500 128.4 80.1 67.7 2.3 172.4 206.7 85.8 18 18 A T T <4 S+ 0 0 14 -3,-2.1 2,-0.5 1,-0.2 -2,-0.2 0.754 86.6 44.8-108.3 -34.1 173.0 204.6 89.0 19 19 A Q E < -G 15 0C 27 -4,-2.4 -4,-2.5 208,-0.0 2,-0.6 -0.947 57.4-174.3-122.1 117.9 176.1 202.6 88.3 20 20 A Y E +G 14 0C 6 -2,-0.5 17,-0.6 204,-0.2 2,-0.3 -0.932 20.4 167.7-109.9 117.1 179.3 204.0 86.8 21 21 A Y E -GH 13 36C 27 -8,-1.9 -8,-3.1 -2,-0.6 2,-0.3 -0.883 18.3-170.6-131.6 161.8 182.1 201.5 86.1 22 22 A G E - H 0 35C 1 13,-2.4 13,-2.5 -2,-0.3 2,-0.3 -0.814 31.3 -94.5-137.1 176.4 185.4 201.1 84.3 23 23 A E E + H 0 34C 92 -12,-0.4 77,-0.5 -2,-0.3 2,-0.3 -0.763 35.1 172.4-100.9 144.7 187.7 198.2 83.4 24 24 A I E -IH 99 33C 6 9,-1.5 9,-2.1 -2,-0.3 2,-0.4 -0.901 22.3-136.6-137.7 161.6 190.7 197.1 85.4 25 25 A G E -IH 98 32C 7 73,-1.9 73,-2.8 -2,-0.3 2,-0.4 -0.992 13.6-164.1-128.4 133.3 192.9 194.0 84.8 26 26 A I E > -IH 97 31C 0 5,-2.5 5,-1.6 -2,-0.4 71,-0.2 -0.958 48.8 -6.1-120.9 133.1 194.2 191.6 87.4 27 27 A G T 5S- 0 0 2 69,-2.2 42,-0.1 -2,-0.4 4,-0.1 -0.048 91.9 -38.3 83.7 174.5 196.9 189.0 87.0 28 28 A T T 5S+ 0 0 55 2,-0.1 42,-2.0 1,-0.1 43,-0.2 -0.975 133.2 26.6-125.1 116.8 199.1 187.8 84.2 29 29 A P T 5S- 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.609 118.8-103.2 -71.0 165.2 197.7 187.5 81.7 30 30 A P T 5 - 0 0 90 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.302 28.2-159.2 -61.6 133.4 195.2 190.2 82.6 31 31 A Q E < -H 26 0C 27 -5,-1.6 -5,-2.5 -4,-0.1 2,-0.2 -0.974 23.9-137.3-110.8 114.3 191.7 189.0 83.6 32 32 A T E -H 25 0C 66 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.482 23.2-177.3 -81.8 147.3 189.4 192.0 83.1 33 33 A F E -H 24 0C 1 -9,-2.1 -9,-1.5 -2,-0.2 2,-0.5 -0.965 26.8-127.4-139.3 152.6 186.7 193.1 85.5 34 34 A K E +H 23 0C 70 -2,-0.3 91,-3.2 -11,-0.2 92,-2.4 -0.894 40.9 173.2 -99.9 128.5 184.1 195.9 85.6 35 35 A V E -Hj 22 126C 0 -13,-2.5 -13,-2.4 -2,-0.5 2,-0.3 -0.981 30.1-133.6-140.2 151.7 184.3 197.9 88.8 36 36 A V E -Hj 21 127C 17 90,-1.7 92,-3.0 -2,-0.3 2,-0.8 -0.754 24.4-128.4 -99.2 149.2 182.8 201.0 90.4 37 37 A F E - j 0 128C 5 -17,-0.6 2,-0.7 -2,-0.3 92,-0.2 -0.881 28.4-168.0-103.7 108.2 185.2 203.5 92.0 38 38 A D E > - j 0 129C 18 90,-1.6 92,-3.1 -2,-0.8 3,-1.3 -0.852 24.3-176.7-105.8 108.6 183.9 204.1 95.5 39 39 A T T 3 S+ 0 0 4 -2,-0.7 159,-0.5 1,-0.3 93,-0.2 0.574 84.7 72.6 -74.3 -6.8 185.2 207.0 97.6 40 40 A G T 3 S+ 0 0 29 91,-0.1 2,-0.3 157,-0.1 -1,-0.3 0.346 105.5 28.8 -89.0 5.9 182.9 205.7 100.3 41 41 A S < - 0 0 13 -3,-1.3 90,-1.8 87,-0.1 89,-0.5 -0.956 62.4-145.9-154.8 167.3 185.1 202.6 101.0 42 42 A S + 0 0 2 93,-0.4 101,-0.3 -2,-0.3 2,-0.2 0.383 63.0 94.1-124.5 3.9 188.8 201.7 100.7 43 43 A N - 0 0 7 92,-0.2 86,-2.5 99,-0.1 2,-0.4 -0.593 57.3-142.9 -98.6 161.6 189.0 198.1 99.7 44 44 A V E +K 128 0C 4 63,-0.4 65,-2.6 84,-0.2 2,-0.3 -0.965 30.5 156.2-119.8 136.2 189.4 196.4 96.3 45 45 A W E -Kl 127 109C 0 82,-2.0 82,-1.7 -2,-0.4 65,-0.2 -0.988 19.9-177.2-159.6 153.5 187.6 193.2 95.5 46 46 A V E - l 0 110C 0 63,-1.6 65,-2.1 -2,-0.3 80,-0.2 -0.937 47.8 -80.9-143.2 157.9 186.2 191.2 92.6 47 47 A P E - l 0 111C 0 0, 0.0 17,-3.0 0, 0.0 2,-0.2 -0.422 47.7-130.5 -68.1 143.0 184.4 187.9 92.7 48 48 A S B > -p 64 0D 0 63,-3.3 3,-1.3 15,-0.3 17,-0.2 -0.573 11.0-131.8 -91.8 153.4 186.5 184.8 93.1 49 49 A S T 3 S+ 0 0 24 15,-2.2 16,-0.1 1,-0.3 -1,-0.1 0.628 109.6 67.3 -75.1 -12.6 186.4 181.6 91.1 50 50 A K T 3 S+ 0 0 104 14,-0.3 2,-0.6 61,-0.1 -1,-0.3 0.334 73.8 117.7 -88.0 6.4 186.4 179.9 94.4 51 51 A a S < S- 0 0 0 -3,-1.3 62,-0.1 60,-0.2 61,-0.1 -0.664 77.8-110.7 -78.5 118.6 182.9 181.3 95.0 52 52 A S > - 0 0 56 60,-0.7 3,-2.0 -2,-0.6 6,-0.2 -0.189 20.0-129.4 -47.8 132.8 180.4 178.5 95.4 53 53 A R T 3 S+ 0 0 133 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.348 100.5 82.1 -71.6 9.2 178.2 178.5 92.3 54 54 A L T 3 S+ 0 0 156 1,-0.1 2,-1.2 4,-0.0 -1,-0.3 0.625 74.0 80.4 -83.8 -16.5 175.2 178.4 94.7 55 55 A Y S X> S- 0 0 70 -3,-2.0 3,-1.6 1,-0.2 4,-1.1 -0.797 74.7-162.9 -87.9 96.2 175.7 182.2 94.9 56 56 A T H 3> S+ 0 0 65 -2,-1.2 4,-1.5 1,-0.3 -1,-0.2 0.814 84.0 67.4 -53.6 -32.5 173.9 182.9 91.6 57 57 A A H 34 S+ 0 0 0 57,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.866 99.9 50.1 -56.8 -36.0 175.6 186.4 91.6 58 58 A a H X4 S+ 0 0 1 -3,-1.6 3,-1.2 56,-0.3 -1,-0.3 0.848 105.4 55.4 -71.7 -32.5 178.9 184.6 91.1 59 59 A V H 3< S+ 0 0 81 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 110.0 49.7 -67.9 -25.3 177.4 182.6 88.2 60 60 A Y T 3< S+ 0 0 156 -4,-1.5 2,-0.3 -3,-0.1 -1,-0.3 -0.017 108.0 58.0-103.9 28.4 176.5 186.0 86.7 61 61 A H S < S- 0 0 28 -3,-1.2 2,-0.3 -5,-0.1 64,-0.1 -0.978 90.6 -84.4-152.0 163.1 179.9 187.8 87.0 62 62 A K - 0 0 89 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.530 44.9-150.3 -70.0 127.4 183.5 187.6 85.9 63 63 A L - 0 0 29 -2,-0.3 2,-0.5 -17,-0.1 -15,-0.3 -0.876 10.2-128.2-107.3 132.3 185.4 185.4 88.4 64 64 A F B -p 48 0D 0 -17,-3.0 -15,-2.2 -2,-0.5 2,-0.6 -0.649 21.8-160.6 -78.1 125.2 189.1 185.9 89.2 65 65 A D > - 0 0 47 -2,-0.5 3,-1.4 -17,-0.2 4,-0.2 -0.919 11.7-168.8-112.3 110.1 191.1 182.7 88.8 66 66 A A G > S+ 0 0 8 -2,-0.6 3,-1.4 1,-0.3 6,-0.2 0.763 84.0 69.5 -66.8 -26.1 194.4 182.6 90.6 67 67 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.592 99.3 49.8 -69.7 -8.3 195.4 179.4 88.8 68 68 A D G < S+ 0 0 97 -3,-1.4 2,-0.5 -39,-0.0 -1,-0.3 0.377 95.6 85.2-108.8 1.6 195.7 181.4 85.6 69 69 A S < - 0 0 14 -3,-1.4 3,-0.1 -4,-0.2 -42,-0.1 -0.908 50.4-171.4-110.5 129.7 197.8 184.2 86.9 70 70 A S S S+ 0 0 107 -42,-2.0 -1,-0.1 -2,-0.5 -4,-0.0 0.466 90.5 55.0 -93.0 -2.5 201.6 183.9 87.1 71 71 A S S S+ 0 0 26 -43,-0.2 -1,-0.2 -42,-0.1 -44,-0.1 0.487 80.6 124.8-104.3 -9.8 201.9 187.1 89.1 72 72 A Y - 0 0 55 -6,-0.2 2,-0.4 -44,-0.2 23,-0.2 -0.134 42.7-163.5 -53.0 144.2 199.5 185.9 91.8 73 73 A K B -M 94 0C 121 21,-2.8 21,-1.8 0, 0.0 -1,-0.1 -0.945 14.8-134.4-136.6 112.8 200.7 186.0 95.4 74 74 A H + 0 0 137 -2,-0.4 19,-0.1 19,-0.2 21,-0.0 -0.199 42.5 141.7 -66.1 154.8 198.8 184.0 98.1 75 75 A N - 0 0 66 17,-0.4 18,-0.2 2,-0.0 -1,-0.2 0.148 25.8-170.0-152.9 -65.1 197.9 185.3 101.5 76 76 A G + 0 0 23 16,-2.7 17,-0.1 1,-0.2 3,-0.1 0.380 22.6 152.7 81.7 -3.3 194.4 184.0 102.4 77 77 A T - 0 0 79 15,-0.2 15,-2.4 14,-0.1 -1,-0.2 -0.400 53.0-102.6 -63.7 138.6 193.4 185.9 105.5 78 78 A E E -N 91 0C 138 13,-0.2 2,-0.3 31,-0.1 13,-0.3 -0.113 40.2-168.8 -58.4 155.2 189.6 186.2 105.7 79 79 A L E -N 90 0C 12 11,-2.7 11,-3.3 31,-0.1 2,-0.4 -0.976 12.4-177.2-152.3 136.3 187.8 189.4 104.8 80 80 A T E -N 89 0C 34 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.982 8.1-163.0-138.4 123.8 184.3 190.7 105.1 81 81 A L E -N 88 0C 4 7,-2.5 7,-2.1 -2,-0.4 2,-1.0 -0.924 4.9-164.7-108.8 114.6 183.0 194.1 103.8 82 82 A R E -N 87 0C 186 -2,-0.6 5,-0.2 5,-0.2 2,-0.1 -0.800 15.6-177.0-103.0 93.1 179.8 195.2 105.4 83 83 A Y E > -N 86 0C 59 3,-1.7 3,-0.6 -2,-1.0 -42,-0.0 -0.324 40.1-102.6 -81.9 169.3 178.4 197.9 103.2 84 84 A S T 3 S+ 0 0 89 1,-0.2 217,-0.1 -2,-0.1 3,-0.1 0.870 119.4 32.6 -58.8 -42.2 175.3 199.9 103.8 85 85 A T T 3 S- 0 0 99 1,-0.2 2,-0.3 33,-0.0 -1,-0.2 0.320 130.9 -21.8-102.1 6.0 173.2 198.0 101.3 86 86 A G E < -N 83 0C 18 -3,-0.6 -3,-1.7 32,-0.1 2,-0.3 -0.944 60.4-107.7 167.5 174.4 174.7 194.5 101.5 87 87 A T E -N 82 0C 55 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.941 15.7-169.1-133.0 151.0 177.7 192.4 102.4 88 88 A V E -N 81 0C 1 -7,-2.1 -7,-2.5 -2,-0.3 2,-0.3 -0.960 10.1-169.9-133.1 153.1 180.5 190.5 100.7 89 89 A S E +NO 80 113C 17 24,-1.8 23,-2.3 -2,-0.3 24,-1.7 -0.998 25.5 104.7-147.5 147.5 183.0 188.0 102.1 90 90 A G E -NO 79 111C 2 -11,-3.3 -11,-2.7 -2,-0.3 2,-0.3 -0.821 56.3 -66.6-178.4-139.6 186.1 186.2 101.1 91 91 A F E -NO 78 110C 27 19,-1.4 19,-3.5 -13,-0.3 2,-0.3 -0.943 42.8 -95.7-141.5 162.5 189.9 186.3 101.5 92 92 A L E + O 0 109C 14 -15,-2.4 -16,-2.7 -2,-0.3 -17,-0.4 -0.587 40.2 168.9 -84.4 138.1 192.9 188.5 100.7 93 93 A S E - 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