==== 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 3VYD . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.TAKAHASHI,H.HANZAWA . 674 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 70.3 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 . 204 30.3 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 . 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 . 84 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.1 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 7 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 . 6 6 6 6 5 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 2 1 3 0 0 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 1 A L 0 0 127 0, 0.0 2,-0.5 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 105.6 204.9 211.8 98.7 2 2 A T - 0 0 99 146,-0.3 2,-0.6 147,-0.0 151,-0.3 -0.784 360.0-162.3 -93.9 124.6 206.4 211.7 95.2 3 3 A L + 0 0 77 -2,-0.5 151,-0.2 148,-0.2 149,-0.0 -0.917 14.4 176.0-106.9 114.3 204.6 213.6 92.4 4 4 A G - 0 0 26 149,-0.7 148,-0.2 -2,-0.6 149,-0.1 0.244 41.7 -97.6 -88.2-145.3 205.5 212.6 88.8 5 5 A N S S+ 0 0 140 147,-0.2 2,-0.3 146,-0.1 148,-0.2 -0.159 76.5 112.8-137.1 45.4 204.0 213.8 85.6 6 6 A T B -a 153 0A 60 146,-2.6 148,-2.0 149,-0.0 2,-0.3 -0.781 37.1-173.5-115.7 159.5 201.4 211.2 84.6 7 7 A T - 0 0 69 -2,-0.3 2,-0.4 146,-0.2 170,-0.2 -0.975 5.1-166.8-147.4 142.8 197.6 211.3 84.4 8 8 A S E -B 176 0B 13 168,-1.8 168,-3.7 -2,-0.3 2,-0.4 -0.999 3.5-161.6-135.9 137.2 195.2 208.5 83.7 9 9 A S E -B 175 0B 55 -2,-0.4 2,-0.5 166,-0.3 166,-0.2 -0.895 7.3-151.5-108.2 148.5 191.5 208.5 82.8 10 10 A V E -B 174 0B 7 164,-2.4 164,-1.6 -2,-0.4 2,-0.3 -0.972 18.7-133.9-111.2 120.1 189.1 205.6 83.1 11 11 A I E -B 173 0B 99 -2,-0.5 12,-0.4 162,-0.2 2,-0.4 -0.533 25.0-152.8 -69.6 132.7 186.2 205.5 80.7 12 12 A L E -B 172 0B 3 160,-2.4 160,-1.7 -2,-0.3 159,-0.7 -0.848 6.8-141.6-110.3 146.1 182.9 204.8 82.5 13 13 A T E -G 21 0C 65 8,-3.4 8,-2.1 -2,-0.4 2,-0.6 -0.873 15.6-140.8-104.2 136.0 179.8 203.2 81.2 14 14 A N E -G 20 0C 10 -2,-0.4 2,-0.6 6,-0.2 6,-0.2 -0.866 15.0-171.2 -99.4 119.1 176.4 204.5 82.3 15 15 A Y E >> S-G 19 0C 78 4,-2.6 3,-2.3 -2,-0.6 4,-1.3 -0.927 70.6 -36.0-111.5 109.6 173.7 202.0 83.0 16 16 A M T 34 S- 0 0 115 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.678 101.2 -76.9 59.0 23.3 170.2 203.5 83.7 17 17 A D T 34 S+ 0 0 19 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.620 127.0 80.4 63.1 13.5 171.6 206.5 85.5 18 18 A T T <4 S+ 0 0 21 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.514 85.7 44.7-125.4 -12.4 172.2 204.3 88.5 19 19 A Q E < -G 15 0C 28 -4,-1.3 -4,-2.6 209,-0.1 2,-0.5 -0.967 56.3-174.2-140.4 123.7 175.4 202.3 87.9 20 20 A Y E +G 14 0C 5 -2,-0.4 17,-0.5 -6,-0.2 2,-0.3 -0.972 20.3 160.1-120.3 122.9 178.7 203.7 86.5 21 21 A Y E -GH 13 36C 24 -8,-2.1 -8,-3.4 -2,-0.5 2,-0.2 -0.988 17.8-178.2-146.0 151.1 181.5 201.3 85.8 22 22 A G E - H 0 35C 2 13,-1.8 13,-2.7 -2,-0.3 2,-0.3 -0.651 34.9 -78.2-132.4-163.5 184.7 200.8 83.8 23 23 A E E + H 0 34C 93 -12,-0.4 77,-0.4 11,-0.2 2,-0.3 -0.731 34.0 170.6-111.9 141.5 187.3 198.2 83.2 24 24 A I E - H 0 33C 6 9,-1.5 9,-2.5 -2,-0.3 2,-0.4 -0.948 23.3-138.0-139.7 155.1 190.2 196.9 85.2 25 25 A G E -IH 98 32C 7 73,-1.8 73,-1.6 -2,-0.3 2,-0.4 -0.906 13.6-161.3-115.2 145.9 192.4 193.8 84.5 26 26 A I E > -IH 97 31C 0 5,-1.6 5,-1.4 -2,-0.4 71,-0.2 -0.983 47.1 -9.2-132.3 125.5 193.6 191.3 87.1 27 27 A G T 5S- 0 0 0 69,-2.3 42,-0.1 -2,-0.4 71,-0.1 -0.177 93.0 -33.3 92.6 177.8 196.4 188.8 86.8 28 28 A T T 5S+ 0 0 54 2,-0.1 42,-2.7 -2,-0.1 43,-0.2 -0.975 135.3 22.5-121.5 115.2 198.7 187.5 84.1 29 29 A P T 5S- 0 0 93 0, 0.0 42,-0.1 0, 0.0 -3,-0.1 0.697 118.4-102.5 -71.3 171.1 197.3 187.5 81.5 30 30 A P T 5 - 0 0 80 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.362 26.4-158.4 -67.9 138.1 194.7 190.1 82.5 31 31 A Q E < -H 26 0C 31 -5,-1.4 -5,-1.6 -2,-0.1 2,-0.2 -0.983 25.5-137.8-107.4 111.8 191.2 188.9 83.4 32 32 A T E -H 25 0C 69 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.449 23.2-176.0 -77.4 144.7 189.0 192.0 82.8 33 33 A F E -H 24 0C 1 -9,-2.5 -9,-1.5 -2,-0.2 2,-0.6 -0.964 27.3-126.8-136.7 152.2 186.2 193.0 85.2 34 34 A K E +H 23 0C 81 -2,-0.3 91,-3.3 -11,-0.2 92,-2.0 -0.893 41.1 175.2 -96.4 124.5 183.6 195.7 85.3 35 35 A V E -Hj 22 126C 0 -13,-2.7 -13,-1.8 -2,-0.6 2,-0.3 -0.946 29.0-131.8-131.9 155.5 183.8 197.5 88.5 36 36 A V E -Hj 21 127C 13 90,-1.9 92,-3.0 -2,-0.3 2,-0.7 -0.803 22.4-131.5-100.2 145.6 182.2 200.6 90.2 37 37 A F E - j 0 128C 5 -17,-0.5 2,-0.6 -2,-0.3 92,-0.2 -0.894 27.1-169.3-103.0 111.0 184.5 203.2 91.8 38 38 A D E > - j 0 129C 17 90,-1.6 92,-2.5 -2,-0.7 3,-1.5 -0.869 24.1-175.7-112.1 105.1 183.2 203.9 95.3 39 39 A T T 3 S+ 0 0 0 -2,-0.6 160,-0.5 1,-0.3 93,-0.2 0.648 85.0 71.1 -66.9 -9.6 184.5 206.8 97.4 40 40 A G T 3 S+ 0 0 23 91,-0.1 2,-0.3 158,-0.1 -1,-0.3 0.301 106.4 25.5 -93.1 11.0 182.2 205.5 100.1 41 41 A S < - 0 0 13 -3,-1.5 90,-2.0 87,-0.1 89,-0.5 -0.923 64.9-142.5-159.8 172.3 184.3 202.4 100.8 42 42 A S + 0 0 3 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.234 60.6 97.7-137.5 17.4 188.0 201.5 100.4 43 43 A N - 0 0 9 92,-0.1 86,-2.9 99,-0.1 2,-0.4 -0.714 56.0-139.7-104.4 160.6 188.2 197.8 99.4 44 44 A V E +K 128 0C 4 63,-0.3 65,-3.5 84,-0.3 2,-0.3 -0.966 31.1 157.2-114.5 134.7 188.7 196.1 96.1 45 45 A W E +Kl 127 109C 0 82,-2.3 82,-2.0 -2,-0.4 65,-0.2 -0.990 19.7 179.9-156.5 150.6 186.8 192.9 95.2 46 46 A V E - l 0 110C 0 63,-1.8 65,-2.1 -2,-0.3 80,-0.2 -0.954 47.7 -86.3-139.8 155.2 185.6 190.9 92.3 47 47 A P E - l 0 111C 0 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.377 47.5-128.9 -70.0 149.7 183.7 187.6 92.4 48 48 A S B > -o 64 0D 0 63,-2.8 3,-1.9 15,-0.3 17,-0.2 -0.657 12.1-128.5-101.9 150.1 185.8 184.5 92.7 49 49 A S T 3 S+ 0 0 19 15,-2.4 16,-0.1 1,-0.3 -1,-0.1 0.744 111.0 66.5 -60.9 -20.7 185.8 181.3 90.7 50 50 A K T 3 S+ 0 0 105 14,-0.3 2,-0.7 61,-0.1 -1,-0.3 0.329 73.3 118.3 -87.5 7.7 185.6 179.6 94.1 51 51 A a S < S- 0 0 0 -3,-1.9 62,-0.1 60,-0.2 61,-0.1 -0.699 78.1-108.5 -76.8 115.7 182.1 181.1 94.6 52 52 A S > - 0 0 57 -2,-0.7 3,-2.0 60,-0.5 6,-0.2 -0.067 19.0-133.6 -40.4 129.8 179.6 178.2 94.9 53 53 A R T 3 S+ 0 0 133 1,-0.3 6,-0.2 5,-0.1 -1,-0.2 0.560 101.2 81.6 -71.7 -2.4 177.5 178.2 91.8 54 54 A L T 3 S+ 0 0 160 1,-0.1 2,-1.0 4,-0.1 -1,-0.3 0.563 76.0 82.1 -71.3 -14.3 174.5 177.9 94.1 55 55 A Y S X> S- 0 0 73 -3,-2.0 3,-1.8 1,-0.2 4,-1.1 -0.838 71.9-164.4 -89.7 94.2 175.1 181.6 94.3 56 56 A T H 3> S+ 0 0 70 -2,-1.0 4,-1.0 1,-0.3 3,-0.2 0.841 83.5 67.4 -50.0 -38.8 173.2 182.7 91.2 57 57 A A H 34 S+ 0 0 0 57,-0.4 3,-0.3 1,-0.2 -1,-0.3 0.840 101.0 49.8 -51.8 -34.2 174.9 186.1 91.3 58 58 A a H X4 S+ 0 0 1 -3,-1.8 3,-1.5 -6,-0.2 -1,-0.2 0.877 102.4 58.3 -73.5 -38.9 178.2 184.4 90.6 59 59 A V H 3< S+ 0 0 85 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.711 109.7 49.2 -59.8 -20.6 176.8 182.4 87.6 60 60 A Y T 3< S+ 0 0 157 -4,-1.0 2,-0.3 -3,-0.3 -1,-0.3 0.211 106.4 57.6-109.7 15.2 175.9 185.9 86.2 61 61 A H S < S- 0 0 24 -3,-1.5 2,-0.2 64,-0.0 64,-0.1 -0.944 91.9 -85.5-139.4 160.6 179.2 187.7 86.6 62 62 A K - 0 0 89 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.488 44.9-150.2 -63.9 128.0 182.9 187.4 85.6 63 63 A L - 0 0 28 -2,-0.2 2,-0.4 -17,-0.1 -15,-0.3 -0.915 10.7-127.1-107.2 131.3 184.8 185.2 88.1 64 64 A F B -o 48 0D 0 -17,-2.5 -15,-2.4 -2,-0.5 2,-0.8 -0.562 19.6-158.9 -75.1 124.4 188.5 185.6 88.9 65 65 A D > - 0 0 48 -2,-0.4 3,-2.0 -17,-0.2 4,-0.1 -0.870 9.4-170.5-111.5 101.2 190.4 182.4 88.4 66 66 A A G > S+ 0 0 6 -2,-0.8 3,-2.0 1,-0.3 6,-0.3 0.789 83.8 67.7 -52.7 -33.7 193.7 182.5 90.4 67 67 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.468 99.1 50.6 -75.1 -2.5 194.7 179.2 88.7 68 68 A D G < S+ 0 0 103 -3,-2.0 2,-0.5 -39,-0.0 -1,-0.3 0.240 94.5 89.3-110.3 7.6 195.0 181.1 85.4 69 69 A S < - 0 0 14 -3,-2.0 3,-0.4 1,-0.1 -42,-0.1 -0.922 52.6-169.0-111.4 120.8 197.2 183.9 86.8 70 70 A S S S+ 0 0 103 -42,-2.7 -1,-0.1 -2,-0.5 -3,-0.0 0.487 90.3 50.0 -85.3 3.8 200.9 183.5 86.8 71 71 A S S S+ 0 0 21 -43,-0.2 -1,-0.2 -42,-0.1 -44,-0.1 0.448 79.9 121.9-116.7 -8.1 201.3 186.6 89.1 72 72 A Y - 0 0 57 -3,-0.4 2,-0.4 -6,-0.3 23,-0.2 -0.228 42.7-163.5 -56.0 140.5 198.8 185.7 91.8 73 73 A K E -M 94 0C 124 21,-2.8 21,-1.8 0, 0.0 -2,-0.0 -0.987 17.6-125.3-131.2 126.3 200.1 185.4 95.3 74 74 A H E +M 93 0C 141 -2,-0.4 19,-0.1 19,-0.2 18,-0.0 -0.196 44.1 143.4 -65.3 151.8 198.1 183.6 98.0 75 75 A N E - 0 0 65 17,-0.5 18,-0.2 2,-0.0 -1,-0.1 0.084 23.0-172.2-146.3 -71.4 197.0 185.0 101.4 76 76 A G E + 0 0 26 16,-2.7 17,-0.1 1,-0.3 3,-0.1 0.377 21.7 152.3 96.8 -5.7 193.5 183.7 102.3 77 77 A T E - 0 0 78 15,-0.2 15,-2.2 14,-0.1 -1,-0.3 -0.341 53.2 -98.6 -65.4 145.5 192.5 185.6 105.4 78 78 A E E -M 91 0C 152 13,-0.2 2,-0.3 31,-0.0 13,-0.2 -0.162 42.3-171.3 -61.7 152.5 188.7 185.9 105.7 79 79 A L E -M 90 0C 9 11,-2.0 11,-2.2 31,-0.1 2,-0.4 -0.989 12.7-176.2-151.5 138.6 186.9 189.1 104.6 80 80 A T E -M 89 0C 36 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.954 7.4-164.4-141.9 120.7 183.4 190.6 104.9 81 81 A L E -M 88 0C 7 7,-2.3 7,-2.7 -2,-0.4 2,-0.8 -0.924 6.2-170.5-109.5 116.6 182.2 193.8 103.4 82 82 A R E -M 87 0C 183 -2,-0.7 5,-0.2 5,-0.2 2,-0.1 -0.886 13.3-177.9-110.2 94.7 178.9 194.9 104.9 83 83 A Y E > -M 86 0C 59 3,-2.1 3,-1.2 -2,-0.8 -42,-0.0 -0.408 43.0 -93.5 -89.0 171.9 177.7 197.8 102.9 84 84 A S T 3 S+ 0 0 95 1,-0.2 218,-0.1 -2,-0.1 3,-0.1 0.778 121.8 25.2 -54.1 -32.1 174.5 199.8 103.4 85 85 A T T 3 S- 0 0 92 1,-0.3 2,-0.3 33,-0.0 -1,-0.2 0.216 128.7 -9.0-126.9 19.9 172.4 197.7 101.2 86 86 A G E < -M 83 0C 21 -3,-1.2 -3,-2.1 32,-0.1 2,-0.3 -0.901 59.6-113.9 164.3 171.1 174.0 194.3 101.1 87 87 A T E -M 82 0C 55 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.948 14.0-169.8-132.0 143.9 177.0 192.1 102.0 88 88 A V E -M 81 0C 1 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.3 -0.946 11.1-171.2-127.6 162.1 179.8 190.2 100.2 89 89 A S E +MN 80 113C 17 24,-1.2 23,-2.8 -2,-0.3 24,-2.1 -0.988 25.5 100.6-152.0 151.8 182.2 187.8 101.7 90 90 A G E -MN 79 111C 3 -11,-2.2 -11,-2.0 21,-0.3 2,-0.3 -0.879 58.2 -62.1 172.4-135.3 185.4 185.8 100.7 91 91 A F E -MN 78 110C 29 19,-1.8 19,-3.1 -2,-0.3 -13,-0.2 -0.977 42.3 -97.7-147.4 154.3 189.1 186.0 101.2 92 92 A L E + N 0 109C 12 -15,-2.2 -16,-2.7 -2,-0.3 -17,-0.5 -0.494 40.4 170.0 -74.9 140.4 192.1 188.3 100.4 93 93 A S E -MN 74 108C 0 15,-2.7 15,-2.4 -2,-0.2 2,-0.4 -0.907 22.3-132.4-141.3 165.7 194.4 187.6 97.4 94 94 A Q E +MN 73 107C 59 -21,-1.8 -21,-2.8 -2,-0.3 2,-0.3 -0.992 36.9 126.2-130.1 139.6 197.2 189.5 95.7 95 95 A D E - 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