==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-MAY-12 3VSW . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.TAKAHASHI,H.HANZAWA . 680 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 30.6 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 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 7.8 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 0 1 2 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 . 5 2 3 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 9 6 5 8 4 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 . 2 2 2 2 2 0 2 0 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 0 118 0, 0.0 2,-0.6 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 113.1 204.2 211.4 98.8 2 2 A T - 0 0 96 146,-0.4 2,-0.4 147,-0.0 151,-0.2 -0.851 360.0-166.0-101.6 118.7 205.8 211.2 95.4 3 3 A L + 0 0 57 -2,-0.6 151,-0.2 148,-0.1 149,-0.1 -0.854 8.9 179.4-103.4 134.8 204.0 212.9 92.5 4 4 A G - 0 0 28 149,-1.6 148,-0.2 -2,-0.4 149,-0.2 0.138 41.4 -91.9-104.9-137.9 204.9 212.1 89.0 5 5 A N S S+ 0 0 145 147,-0.4 2,-0.4 146,-0.1 148,-0.2 -0.255 77.9 113.9-141.2 49.4 203.5 213.4 85.7 6 6 A T B -a 153 0A 62 146,-1.9 148,-1.8 173,-0.0 2,-0.3 -0.973 37.4-173.0-129.4 139.9 200.9 210.8 84.7 7 7 A T - 0 0 83 -2,-0.4 2,-0.4 146,-0.2 172,-0.2 -0.914 8.5-164.5-124.2 148.6 197.1 211.0 84.4 8 8 A S E -B 178 0B 9 170,-1.7 170,-4.6 -2,-0.3 2,-0.4 -0.986 1.9-161.8-141.1 130.2 194.9 207.9 83.8 9 9 A S E -B 177 0B 54 -2,-0.4 2,-0.5 168,-0.2 168,-0.2 -0.875 4.8-156.7-113.9 146.6 191.3 207.8 82.7 10 10 A V E -B 176 0B 7 166,-1.9 166,-1.4 -2,-0.4 2,-0.2 -0.986 19.4-134.4-118.5 117.6 188.9 204.9 83.0 11 11 A I E -B 175 0B 98 -2,-0.5 12,-0.4 164,-0.2 2,-0.3 -0.543 24.6-153.4 -74.8 137.1 186.0 204.8 80.5 12 12 A L E -B 174 0B 2 162,-3.1 162,-1.3 -2,-0.2 2,-0.4 -0.839 8.9-138.3-114.5 150.4 182.7 204.1 82.2 13 13 A T E -G 21 0C 72 8,-3.2 8,-1.7 -2,-0.3 2,-0.6 -0.888 15.4-146.4-105.2 134.6 179.5 202.5 80.9 14 14 A N E -G 20 0C 10 -2,-0.4 2,-0.6 152,-0.3 6,-0.2 -0.911 12.5-171.6-105.1 120.9 176.1 204.0 82.0 15 15 A Y E >> S-G 19 0C 91 4,-2.7 3,-1.7 -2,-0.6 4,-1.1 -0.917 71.7 -36.3-114.3 103.5 173.3 201.6 82.5 16 16 A M T 34 S- 0 0 101 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.622 99.7 -77.6 61.4 18.8 169.9 203.4 83.1 17 17 A D T 34 S+ 0 0 0 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.664 127.1 83.1 65.6 17.4 171.4 206.2 85.2 18 18 A T T <4 S+ 0 0 25 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.486 86.5 43.0-125.0 -13.9 171.6 203.8 88.0 19 19 A Q E < +G 15 0C 30 -4,-1.1 -4,-2.7 211,-0.1 2,-0.5 -0.950 54.9 179.5-143.2 121.3 174.8 201.9 87.4 20 20 A Y E +G 14 0C 9 -2,-0.4 17,-0.5 -6,-0.2 2,-0.3 -0.974 18.5 159.6-122.5 117.4 178.2 203.2 86.3 21 21 A Y E -G 13 0C 18 -8,-1.7 -8,-3.2 -2,-0.5 15,-0.2 -0.965 19.8-168.0-140.2 154.8 181.1 200.8 85.8 22 22 A G E -H 35 0D 2 13,-2.1 13,-2.3 -2,-0.3 2,-0.4 -0.505 31.3 -95.6-122.2-168.1 184.4 200.5 84.1 23 23 A E E +H 34 0D 103 -12,-0.4 77,-0.5 11,-0.2 2,-0.3 -0.962 31.5 177.7-125.1 136.5 186.8 197.6 83.4 24 24 A I E -H 33 0D 5 9,-1.9 9,-2.3 -2,-0.4 2,-0.5 -0.831 21.9-133.9-123.7 163.0 189.9 196.4 85.2 25 25 A G E -HI 32 98D 4 73,-2.0 73,-2.4 -2,-0.3 2,-0.5 -0.963 16.1-165.4-126.1 119.1 192.1 193.4 84.6 26 26 A I E > -HI 31 97D 0 5,-2.4 5,-0.9 -2,-0.5 71,-0.2 -0.870 49.3 -2.8-106.4 132.2 193.2 191.0 87.3 27 27 A G T 5S- 0 0 3 69,-2.7 4,-0.1 -2,-0.5 42,-0.1 -0.010 89.0 -46.4 87.7 170.9 196.0 188.5 86.9 28 28 A T T 5S+ 0 0 50 1,-0.1 42,-3.2 2,-0.1 43,-0.4 -0.964 131.2 29.5-129.2 113.7 198.4 187.3 84.2 29 29 A P T 5S- 0 0 86 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.572 120.1-104.8 -67.1 160.4 197.1 186.8 81.7 30 30 A P T 5 - 0 0 89 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.174 27.6-160.5 -57.8 143.9 194.5 189.5 82.4 31 31 A Q E < -H 26 0D 30 -5,-0.9 -5,-2.4 -4,-0.1 2,-0.2 -0.984 22.0-139.2-125.2 110.6 190.9 188.5 83.3 32 32 A T E -H 25 0D 70 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.532 22.9-179.0 -80.8 139.9 188.6 191.4 82.7 33 33 A F E -H 24 0D 0 -9,-2.3 -9,-1.9 -2,-0.2 2,-0.6 -0.974 28.9-126.3-135.6 148.8 185.9 192.4 85.1 34 34 A K E +H 23 0D 75 -2,-0.3 91,-3.0 -11,-0.2 92,-2.3 -0.848 42.7 177.1 -93.7 121.2 183.2 195.1 85.1 35 35 A V E -Hj 22 126D 0 -13,-2.3 -13,-2.1 -2,-0.6 2,-0.4 -0.903 30.5-127.2-130.5 158.3 183.5 196.9 88.4 36 36 A V E - j 0 127D 13 90,-2.2 92,-3.1 -2,-0.3 2,-1.0 -0.845 21.3-134.9-100.6 135.3 182.0 199.9 90.2 37 37 A F E - j 0 128D 10 -17,-0.5 2,-0.6 -2,-0.4 92,-0.2 -0.837 30.7-169.4 -95.5 105.0 184.4 202.5 91.5 38 38 A D E > - j 0 129D 15 90,-2.1 92,-3.4 -2,-1.0 3,-1.4 -0.860 27.8-177.3-107.2 105.7 183.0 203.1 95.0 39 39 A T T 3 S+ 0 0 4 -2,-0.6 162,-0.5 1,-0.3 93,-0.2 0.437 82.6 74.6 -75.1 0.0 184.1 206.0 97.2 40 40 A G T 3 S+ 0 0 38 91,-0.1 -1,-0.3 160,-0.1 2,-0.2 0.600 105.0 24.2 -88.2 -11.2 181.8 204.6 99.9 41 41 A S < - 0 0 13 -3,-1.4 90,-2.7 87,-0.1 89,-0.7 -0.838 63.4-140.2-141.8 176.6 184.2 201.7 100.7 42 42 A S + 0 0 2 93,-0.4 2,-0.3 87,-0.3 94,-0.2 0.211 65.5 93.3-131.2 17.7 187.9 200.8 100.4 43 43 A N - 0 0 10 99,-0.1 86,-1.6 92,-0.1 2,-0.4 -0.822 58.8-141.3-113.3 153.0 188.1 197.2 99.4 44 44 A V E +K 128 0D 5 63,-0.4 65,-3.4 -2,-0.3 2,-0.3 -0.911 32.4 159.2-109.0 137.7 188.5 195.7 95.9 45 45 A W E -Kl 127 109D 0 82,-2.6 82,-1.6 -2,-0.4 65,-0.2 -0.994 19.9-178.8-159.1 152.3 186.6 192.5 95.1 46 46 A V E - l 0 110D 0 63,-2.2 65,-2.1 -2,-0.3 80,-0.1 -0.973 45.3 -82.4-145.9 156.1 185.3 190.3 92.3 47 47 A P E - l 0 111D 0 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.386 49.3-132.4 -62.6 140.1 183.3 187.0 92.2 48 48 A S B > -o 64 0E 0 63,-3.6 3,-1.4 15,-0.3 17,-0.2 -0.649 13.4-131.1 -97.4 151.1 185.5 183.9 92.5 49 49 A S T 3 S+ 0 0 19 15,-2.5 16,-0.1 1,-0.3 -1,-0.1 0.759 110.2 67.4 -65.9 -22.8 185.6 180.7 90.5 50 50 A K T 3 S+ 0 0 97 14,-0.4 2,-0.6 2,-0.1 -1,-0.3 0.103 77.2 117.9 -84.2 21.8 185.6 179.1 93.9 51 51 A a S < S- 0 0 0 -3,-1.4 62,-0.1 60,-0.1 61,-0.1 -0.828 75.4-109.8 -97.8 120.7 182.0 180.4 94.4 52 52 A S > - 0 0 54 -2,-0.6 3,-2.1 60,-0.6 6,-0.2 -0.150 17.7-136.7 -44.9 127.5 179.3 177.8 94.8 53 53 A R T 3 S+ 0 0 135 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.481 96.8 85.2 -69.9 1.5 177.1 177.8 91.7 54 54 A L T 3 S+ 0 0 154 1,-0.1 2,-0.9 4,-0.1 -1,-0.3 0.642 75.5 77.9 -74.3 -14.1 174.2 177.6 94.1 55 55 A Y S X> S- 0 0 72 -3,-2.1 3,-1.9 1,-0.2 4,-0.9 -0.853 73.3-162.2 -93.6 102.5 174.6 181.4 94.2 56 56 A T H >> S+ 0 0 76 -2,-0.9 4,-1.2 1,-0.3 3,-0.6 0.819 86.2 68.7 -59.5 -26.3 172.9 182.4 90.9 57 57 A A H 34 S+ 0 0 1 57,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.772 100.9 48.1 -61.1 -26.8 174.7 185.7 91.1 58 58 A a H <4 S+ 0 0 2 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 0.679 106.1 55.9 -86.8 -20.3 178.0 183.8 90.5 59 59 A V H << S+ 0 0 81 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.700 111.8 45.7 -81.9 -18.3 176.4 182.0 87.6 60 60 A Y S < S+ 0 0 159 -4,-1.2 2,-0.3 2,-0.1 -2,-0.2 0.413 107.8 61.5-105.5 2.2 175.6 185.3 86.1 61 61 A H S S- 0 0 22 -4,-0.2 2,-0.1 -3,-0.2 64,-0.1 -0.940 90.2 -92.7-131.0 153.5 178.9 187.2 86.6 62 62 A K - 0 0 94 -2,-0.3 2,-0.3 -28,-0.1 -2,-0.1 -0.363 43.1-147.2 -60.1 133.4 182.5 186.7 85.5 63 63 A L - 0 0 29 -17,-0.1 2,-0.5 -2,-0.1 -15,-0.3 -0.812 8.9-125.3-108.9 146.6 184.6 184.8 88.0 64 64 A F B -o 48 0E 0 -17,-2.5 -15,-2.5 -2,-0.3 2,-0.7 -0.784 20.4-162.3 -90.6 126.8 188.3 185.1 88.8 65 65 A D > - 0 0 43 -2,-0.5 3,-2.0 -17,-0.2 4,-0.1 -0.883 10.1-171.6-115.2 102.5 190.2 181.9 88.5 66 66 A A G > S+ 0 0 6 -2,-0.7 3,-1.8 1,-0.3 6,-0.3 0.769 83.0 71.7 -59.2 -28.0 193.5 182.1 90.3 67 67 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.710 98.9 47.7 -64.2 -18.8 194.5 178.8 88.7 68 68 A D G < S+ 0 0 99 -3,-2.0 2,-0.5 -39,-0.0 -1,-0.3 0.332 96.5 85.5-103.4 5.7 194.8 180.6 85.4 69 69 A S < - 0 0 11 -3,-1.8 3,-0.4 -4,-0.1 -42,-0.1 -0.929 54.0-168.1-110.7 125.0 196.9 183.5 86.8 70 70 A S S S+ 0 0 107 -42,-3.2 -1,-0.1 -2,-0.5 -4,-0.0 0.609 90.9 53.2 -86.2 -7.7 200.7 183.0 87.0 71 71 A S S S+ 0 0 24 -43,-0.4 -1,-0.2 25,-0.1 -44,-0.1 0.444 79.0 124.1-101.4 -3.4 201.0 186.2 89.2 72 72 A Y - 0 0 57 -3,-0.4 2,-0.5 -6,-0.3 23,-0.2 -0.345 43.5-163.7 -60.8 135.0 198.5 185.1 91.7 73 73 A K E -M 94 0D 127 21,-2.9 21,-1.8 -2,-0.0 2,-0.1 -0.995 16.5-131.2-124.1 121.1 199.8 185.1 95.3 74 74 A H E +M 93 0D 135 -2,-0.5 19,-0.2 19,-0.2 21,-0.0 -0.432 44.3 144.3 -75.4 144.4 197.8 183.1 97.8 75 75 A N E - 0 0 73 17,-0.7 18,-0.2 -2,-0.1 -1,-0.2 0.363 23.6-174.5-138.3 -58.1 196.8 184.6 101.2 76 76 A G E + 0 0 26 16,-2.3 2,-0.1 1,-0.2 17,-0.1 0.502 18.9 154.6 72.0 7.7 193.3 183.2 101.9 77 77 A T E - 0 0 77 1,-0.1 15,-2.0 14,-0.1 -1,-0.2 -0.474 53.2 -97.0 -71.2 142.2 192.3 185.0 105.1 78 78 A E E -M 91 0D 158 13,-0.2 2,-0.3 -2,-0.1 13,-0.3 -0.097 43.4-169.4 -53.1 152.6 188.5 185.2 105.4 79 79 A L E -M 90 0D 13 11,-2.3 11,-2.7 31,-0.1 2,-0.4 -0.947 12.8-178.1-154.0 128.8 186.8 188.5 104.4 80 80 A T E -M 89 0D 41 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.986 7.8-163.8-131.2 125.0 183.3 189.9 104.8 81 81 A L E -M 88 0D 5 7,-2.7 7,-2.0 -2,-0.4 2,-0.7 -0.934 4.4-164.3-112.0 120.1 182.1 193.2 103.4 82 82 A R E -M 87 0D 177 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.890 9.9-177.6-109.6 106.8 178.9 194.6 104.8 83 83 A Y E > -M 86 0D 50 3,-2.3 3,-0.9 -2,-0.7 -42,-0.0 -0.626 42.4-108.0 -97.1 159.0 177.4 197.4 102.7 84 84 A S T 3 S+ 0 0 64 1,-0.3 220,-0.1 -2,-0.2 -1,-0.1 0.735 121.2 33.1 -57.8 -20.7 174.2 199.3 103.7 85 85 A T T 3 S- 0 0 81 1,-0.1 2,-0.3 218,-0.1 -1,-0.3 0.420 128.9 -14.7-118.2 -0.3 172.4 197.4 100.9 86 86 A G E < -M 83 0D 16 -3,-0.9 -3,-2.3 32,-0.1 2,-0.3 -0.973 55.1-121.3-176.8-171.5 174.1 194.0 100.8 87 87 A T E -M 82 0D 55 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.982 13.4-173.0-157.3 141.8 176.9 191.8 101.8 88 88 A V E -M 81 0D 1 -7,-2.0 -7,-2.7 -2,-0.3 2,-0.3 -0.951 9.2-169.3-133.3 153.9 179.6 189.7 100.1 89 89 A S E +MN 80 113D 18 24,-1.2 24,-2.1 -2,-0.3 23,-1.9 -0.983 26.0 107.8-145.4 154.3 182.1 187.3 101.6 90 90 A G E -MN 79 111D 3 -11,-2.7 -11,-2.3 -2,-0.3 2,-0.3 -0.875 56.7 -64.7 174.9-142.8 185.2 185.3 100.5 91 91 A F E -MN 78 110D 29 19,-1.6 19,-3.3 -2,-0.3 -13,-0.2 -0.924 43.1 -95.3-138.5 163.2 188.9 185.4 101.0 92 92 A L E + N 0 109D 9 -15,-2.0 -16,-2.3 -2,-0.3 -17,-0.7 -0.451 40.5 168.6 -78.7 148.6 191.9 187.6 100.3 93 93 A S E -MN 74 108D 0 15,-2.2 15,-1.4 -18,-0.2 2,-0.4 -0.960 22.1-137.2-151.8 163.5 194.2 187.2 97.3 94 94 A Q E +MN 73 107D 61 -21,-1.8 -21,-2.9 -2,-0.3 2,-0.3 -0.994 34.1 133.3-132.9 137.9 196.9 189.1 95.5 95 95 A D E - 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N 0 96D 77 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.619 47.8-178.3 -73.6 102.7 200.0 194.7 92.6 106 106 A Q E - N 0 95D 2 -11,-1.9 -11,-2.4 -2,-1.1 2,-0.6 -0.729 30.3-138.1-107.7 157.4 196.7 194.8 94.5 107 107 A M E + N 0 94D 62 34,-0.4 -63,-0.4 -2,-0.3 -13,-0.3 -0.951 38.3 174.9-114.0 107.4 195.4 192.6 97.2 108 108 A F E - N 0 93D 0 -15,-1.4 -15,-2.2 -2,-0.6 2,-0.4 -0.647 33.0-102.0-115.2 171.5 191.7 192.0 96.5 109 109 A G E -lN 45 92D 5 -65,-3.4 -63,-2.2 -2,-0.2 2,-0.9 -0.784 19.8-152.3 -96.0 131.4 188.8 190.0 97.8 110 110 A E E -lN 46 91D 0 -19,-3.3 -19,-1.6 -2,-0.4 2,-0.4 -0.862 22.1-146.3-102.1 95.6 187.8 186.8 95.9 111 111 A V E +lN 47 90D 4 -65,-2.1 -63,-3.6 -2,-0.9 -21,-0.3 -0.513 30.6 167.0 -71.9 123.5 184.0 186.6 96.7 112 112 A T E S+ 0 0 26 -23,-1.9 -60,-0.6 -2,-0.4 2,-0.3 0.398 70.6 52.7-111.2 -5.8 182.7 183.1 97.1 113 113 A E E + N 0 89D 83 -24,-2.1 -24,-1.2 -62,-0.1 -1,-0.2 -0.755 60.4 157.6-136.3 90.5 179.4 184.1 98.6 114 114 A M - 0 0 1 -2,-0.3 -57,-0.4 -26,-0.2 -56,-0.2 -0.932 29.7-141.9-121.0 112.8 177.3 186.7 96.8 115 115 A P - 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