==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 26-JUN-12 3VUC . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.TAKAHASHI,Y.MATSUI,H.HANZAWA . 678 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 70.4 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 . 210 31.0 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 . 76 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 8.4 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 4 1 2 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 . 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 . 5 8 5 5 9 4 1 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 . 2 2 1 0 3 0 2 1 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,-0.4 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 104.6 205.0 212.0 99.3 2 2 A T - 0 0 102 146,-0.2 2,-0.3 147,-0.1 149,-0.2 -0.867 360.0-157.4-102.5 131.7 206.7 212.2 95.9 3 3 A L - 0 0 69 -2,-0.4 151,-0.2 148,-0.1 2,-0.1 -0.843 10.3-176.7-106.8 145.3 204.9 213.7 92.9 4 4 A G - 0 0 16 149,-1.8 148,-0.2 -2,-0.3 149,-0.2 -0.131 39.7 -93.0-113.4-148.0 205.6 213.0 89.2 5 5 A N S S+ 0 0 149 147,-0.3 2,-0.3 146,-0.1 148,-0.2 0.137 79.3 109.6-121.0 17.8 204.3 214.4 85.8 6 6 A T B -a 153 0A 60 146,-2.9 148,-2.6 2,-0.0 2,-0.3 -0.670 36.9-178.5-109.8 151.4 201.6 211.9 85.0 7 7 A T - 0 0 84 -2,-0.3 2,-0.4 146,-0.2 172,-0.2 -0.969 11.9-167.7-135.1 144.5 197.8 211.9 84.8 8 8 A S E -B 178 0B 16 170,-1.9 170,-3.0 -2,-0.3 2,-0.4 -0.991 4.6-152.7-132.8 150.3 195.7 208.8 83.9 9 9 A S E -B 177 0B 54 -2,-0.4 2,-0.5 91,-0.3 168,-0.2 -0.903 5.3-154.0-123.1 152.5 192.1 208.5 83.1 10 10 A V E -B 176 0B 5 166,-2.4 166,-2.1 -2,-0.4 2,-0.5 -0.984 19.5-137.4-121.6 123.7 189.6 205.7 83.4 11 11 A I E -B 175 0B 122 -2,-0.5 12,-0.4 164,-0.2 2,-0.3 -0.692 23.1-153.9 -81.6 130.6 186.7 205.7 81.0 12 12 A L E -B 174 0B 2 162,-3.3 162,-1.2 -2,-0.5 161,-1.1 -0.774 8.2-142.4-104.8 148.5 183.4 204.8 82.7 13 13 A T E -G 21 0C 67 8,-3.1 8,-2.3 -2,-0.3 2,-0.7 -0.879 16.9-138.3-102.8 144.6 180.2 203.3 81.3 14 14 A N E -G 20 0C 15 -2,-0.4 2,-0.8 6,-0.2 6,-0.2 -0.887 13.1-166.6-109.1 107.8 176.8 204.5 82.6 15 15 A Y E >> S-G 19 0C 81 4,-3.1 3,-2.6 -2,-0.7 4,-1.7 -0.865 71.8 -39.5 -94.0 106.7 174.2 201.9 83.3 16 16 A M T 34 S- 0 0 96 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.673 101.3 -72.3 56.6 27.8 170.8 203.6 83.8 17 17 A D T 34 S+ 0 0 10 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.558 127.9 82.4 66.0 9.5 172.1 206.6 85.7 18 18 A T T <4 S+ 0 0 17 -3,-2.6 2,-0.4 1,-0.3 -2,-0.2 0.682 85.9 36.8-119.7 -21.3 172.7 204.3 88.7 19 19 A Q E < -G 15 0C 29 -4,-1.7 -4,-3.1 211,-0.1 2,-0.5 -0.993 56.1-171.8-140.1 126.8 176.0 202.5 88.2 20 20 A Y E +G 14 0C 5 -2,-0.4 17,-0.5 -6,-0.2 2,-0.3 -0.991 21.9 168.0-120.7 123.6 179.1 204.0 86.7 21 21 A Y E -G 13 0C 21 -8,-2.3 -8,-3.1 -2,-0.5 15,-0.2 -0.954 19.6-165.1-144.4 153.4 181.8 201.5 86.2 22 22 A G E -H 35 0D 2 13,-2.9 13,-3.5 -2,-0.3 2,-0.4 -0.714 29.4 -96.2-132.7-175.9 185.2 201.1 84.4 23 23 A E E +H 34 0D 95 -12,-0.4 77,-0.4 -2,-0.2 2,-0.3 -0.824 33.2 176.0-114.1 135.6 187.4 198.2 83.5 24 24 A I E -H 33 0D 5 9,-2.1 9,-2.7 -2,-0.4 2,-0.4 -0.949 19.6-140.2-130.3 157.1 190.5 196.8 85.3 25 25 A G E -HI 32 98D 7 73,-1.6 73,-2.5 -2,-0.3 2,-0.4 -0.958 14.8-166.3-114.6 137.1 192.7 193.9 84.6 26 26 A I E > -HI 31 97D 0 5,-3.4 5,-2.2 -2,-0.4 71,-0.2 -0.980 46.7 -5.1-122.7 131.3 194.0 191.5 87.3 27 27 A G T 5S- 0 0 5 69,-2.3 42,-0.1 -2,-0.4 68,-0.1 -0.054 91.6 -36.5 91.8 174.1 196.8 189.0 86.9 28 28 A T T 5S+ 0 0 55 2,-0.1 42,-2.6 1,-0.1 43,-0.2 -0.982 134.6 23.8-126.5 116.2 199.0 187.6 84.2 29 29 A P T 5S- 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.683 119.2-103.8 -73.4 169.9 197.6 187.3 81.7 30 30 A P T 5 - 0 0 90 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.331 27.1-158.6 -68.6 140.7 195.1 190.0 82.6 31 31 A Q E < -H 26 0D 28 -5,-2.2 -5,-3.4 -4,-0.0 2,-0.3 -0.982 23.2-137.8-106.6 128.8 191.6 188.9 83.6 32 32 A T E -H 25 0D 61 -2,-0.5 2,-0.4 -7,-0.3 -7,-0.2 -0.637 22.3-177.0 -95.8 146.8 189.3 191.9 83.1 33 33 A F E -H 24 0D 0 -9,-2.7 -9,-2.1 -2,-0.3 2,-0.6 -0.994 27.4-126.8-140.2 145.3 186.5 193.0 85.5 34 34 A K E +H 23 0D 66 -2,-0.4 91,-2.9 -11,-0.2 92,-2.5 -0.820 42.4 178.6 -87.5 125.9 183.9 195.7 85.4 35 35 A V E -Hj 22 126D 0 -13,-3.5 -13,-2.9 -2,-0.6 2,-0.4 -0.951 30.4-131.7-135.9 155.9 184.2 197.7 88.7 36 36 A V E - j 0 127D 12 90,-1.7 92,-3.7 -2,-0.3 2,-0.9 -0.807 22.5-134.7 -97.9 134.9 182.7 200.8 90.5 37 37 A F E - j 0 128D 3 -17,-0.5 2,-0.6 -2,-0.4 92,-0.2 -0.870 31.8-168.0 -97.0 110.2 185.2 203.3 91.9 38 38 A D E > - j 0 129D 16 90,-2.3 92,-2.4 -2,-0.9 3,-1.6 -0.872 26.9-175.3-116.5 100.1 183.7 203.8 95.3 39 39 A T T 3 S+ 0 0 0 -2,-0.6 162,-0.4 1,-0.3 93,-0.2 0.561 83.1 72.0 -72.5 -4.6 184.7 206.7 97.6 40 40 A G T 3 S+ 0 0 24 91,-0.1 -1,-0.3 160,-0.1 2,-0.3 0.578 106.7 28.1 -82.9 -7.0 182.5 205.3 100.3 41 41 A S < - 0 0 11 -3,-1.6 90,-2.6 87,-0.1 89,-0.7 -0.866 62.4-145.7-147.1 171.0 184.8 202.3 100.9 42 42 A S + 0 0 2 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.336 63.4 94.5-131.5 6.7 188.6 201.4 100.6 43 43 A N - 0 0 5 92,-0.1 86,-1.2 99,-0.1 2,-0.4 -0.768 59.8-141.6-101.0 145.6 188.9 197.8 99.6 44 44 A V E +K 128 0D 2 63,-0.4 65,-2.8 -2,-0.3 2,-0.3 -0.861 33.4 159.9 -93.1 138.8 189.3 196.4 96.2 45 45 A W E -Kl 127 109D 0 82,-2.4 82,-2.2 -2,-0.4 65,-0.2 -0.957 20.0-179.5-155.3 154.7 187.4 193.2 95.5 46 46 A V E - l 0 110D 0 63,-2.0 65,-2.6 -2,-0.3 80,-0.1 -0.927 46.3 -82.9-138.6 161.6 186.1 191.1 92.6 47 47 A P E - l 0 111D 0 0, 0.0 17,-2.8 0, 0.0 2,-0.3 -0.365 48.1-132.3 -65.3 145.3 184.1 187.8 92.7 48 48 A S B > -o 64 0E 0 63,-2.6 3,-1.8 15,-0.3 17,-0.2 -0.702 15.5-126.7 -99.7 149.5 186.4 184.7 93.0 49 49 A S T 3 S+ 0 0 19 15,-3.4 16,-0.1 -2,-0.3 -1,-0.1 0.643 110.8 69.2 -63.2 -9.7 186.3 181.6 91.0 50 50 A K T 3 S+ 0 0 105 14,-0.3 2,-0.5 61,-0.1 -1,-0.2 0.370 71.7 114.5 -90.0 6.7 186.1 179.9 94.5 51 51 A a S < S- 0 0 0 -3,-1.8 62,-0.1 60,-0.2 61,-0.1 -0.687 78.6-112.0 -75.4 123.4 182.6 181.3 95.0 52 52 A S > - 0 0 54 60,-0.6 3,-2.5 -2,-0.5 6,-0.3 -0.296 17.2-128.8 -52.3 131.3 180.1 178.5 95.1 53 53 A R T 3 S+ 0 0 134 1,-0.3 6,-0.2 5,-0.1 -1,-0.2 0.520 102.2 82.9 -67.0 0.7 177.9 178.4 92.1 54 54 A L T 3 S+ 0 0 156 1,-0.1 2,-0.9 4,-0.1 -1,-0.3 0.683 75.7 78.9 -77.0 -18.1 175.0 178.3 94.6 55 55 A Y S X> S- 0 0 72 -3,-2.5 3,-1.9 1,-0.2 4,-1.2 -0.826 73.5-163.8 -78.0 102.8 175.5 182.1 94.7 56 56 A T H 3> S+ 0 0 67 -2,-0.9 4,-1.6 1,-0.3 -1,-0.2 0.850 85.8 67.5 -61.9 -30.8 173.7 183.0 91.5 57 57 A A H 34 S+ 0 0 0 57,-0.5 -1,-0.3 1,-0.3 -4,-0.1 0.798 100.9 50.6 -58.2 -27.4 175.4 186.4 91.6 58 58 A a H X4 S+ 0 0 1 -3,-1.9 3,-1.0 -6,-0.3 -1,-0.3 0.826 103.4 56.3 -80.0 -33.1 178.6 184.4 91.0 59 59 A V H 3< S+ 0 0 84 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.850 110.6 48.0 -60.4 -30.8 177.1 182.6 88.0 60 60 A Y T 3< S+ 0 0 163 -4,-1.6 2,-0.3 2,-0.1 -1,-0.2 0.094 106.3 60.6-104.3 18.2 176.4 186.0 86.5 61 61 A H S < S- 0 0 24 -3,-1.0 2,-0.2 -5,-0.1 64,-0.1 -0.928 90.3 -87.6-138.8 164.4 179.7 187.8 86.9 62 62 A K - 0 0 93 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.519 43.5-148.5 -68.1 136.7 183.3 187.5 85.9 63 63 A L - 0 0 30 -2,-0.2 2,-0.4 -17,-0.1 -15,-0.3 -0.944 9.3-130.1-115.4 130.3 185.3 185.3 88.4 64 64 A F B -o 48 0E 0 -17,-2.8 -15,-3.4 -2,-0.5 2,-0.6 -0.638 21.4-163.1 -77.9 133.2 188.9 185.8 89.2 65 65 A D > - 0 0 48 -2,-0.4 3,-1.9 -17,-0.2 4,-0.1 -0.905 10.4-168.0-125.7 103.2 190.8 182.6 88.9 66 66 A A G > S+ 0 0 5 -2,-0.6 3,-2.4 1,-0.3 6,-0.2 0.796 82.6 69.9 -58.6 -38.3 194.2 182.6 90.6 67 67 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.500 98.6 51.1 -57.5 -8.5 195.2 179.4 89.0 68 68 A D G < S+ 0 0 103 -3,-1.9 2,-0.5 -39,-0.1 -1,-0.3 0.308 94.9 85.7-110.3 4.8 195.4 181.2 85.7 69 69 A S < - 0 0 14 -3,-2.4 3,-0.2 1,-0.1 -42,-0.1 -0.936 53.1-167.9-113.6 125.0 197.6 184.0 86.9 70 70 A S S S+ 0 0 105 -42,-2.6 -1,-0.1 -2,-0.5 -4,-0.0 0.635 89.5 50.8 -84.5 -7.9 201.4 183.7 87.0 71 71 A S S S+ 0 0 24 -43,-0.2 -1,-0.2 -42,-0.1 -44,-0.1 0.472 81.6 121.3-107.9 -7.0 201.9 186.9 89.2 72 72 A Y - 0 0 55 -6,-0.2 2,-0.4 -3,-0.2 23,-0.2 -0.207 44.3-162.6 -53.1 144.5 199.4 186.0 91.9 73 73 A K E -M 94 0D 131 21,-2.6 21,-1.7 0, 0.0 -2,-0.0 -0.965 17.1-128.5-138.3 120.8 200.6 185.7 95.4 74 74 A H E +M 93 0D 135 -2,-0.4 19,-0.1 19,-0.2 18,-0.0 -0.198 41.2 148.1 -64.9 150.2 198.5 183.9 98.0 75 75 A N E - 0 0 69 17,-0.6 18,-0.2 2,-0.0 -1,-0.2 0.253 24.0-167.5-142.1 -68.3 197.6 185.3 101.4 76 76 A G E + 0 0 31 16,-3.2 2,-0.1 1,-0.3 17,-0.1 0.387 22.3 154.9 99.3 -2.4 194.2 184.0 102.4 77 77 A T E - 0 0 82 15,-0.2 15,-1.9 14,-0.1 -1,-0.3 -0.423 50.3-106.9 -63.9 128.9 193.0 186.1 105.4 78 78 A E E -M 91 0D 125 13,-0.2 2,-0.3 -2,-0.1 13,-0.3 -0.194 40.5-171.3 -51.9 144.7 189.1 186.2 105.8 79 79 A L E -M 90 0D 4 11,-2.6 11,-2.7 31,-0.1 2,-0.4 -0.973 11.9-175.9-149.5 127.4 187.6 189.5 104.8 80 80 A T E -M 89 0D 17 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.998 6.7-164.7-129.3 132.9 184.0 190.9 105.2 81 81 A L E -M 88 0D 7 7,-2.6 7,-2.7 -2,-0.4 2,-0.6 -0.988 3.8-170.3-121.6 121.6 182.7 194.1 103.8 82 82 A R E -M 87 0D 189 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.837 10.2-178.5-123.2 83.4 179.5 195.2 105.3 83 83 A Y E > -M 86 0D 53 3,-1.5 3,-1.0 -2,-0.6 -42,-0.0 -0.324 43.8-102.8 -73.3 163.4 178.2 198.2 103.3 84 84 A S T 3 S+ 0 0 64 1,-0.2 220,-0.1 -2,-0.1 3,-0.1 0.726 120.8 40.1 -59.6 -22.8 175.0 199.9 104.3 85 85 A T T 3 S- 0 0 96 1,-0.3 2,-0.3 218,-0.1 -1,-0.2 0.352 128.3 -27.3-114.2 5.7 173.1 198.1 101.5 86 86 A G E < -M 83 0D 18 -3,-1.0 -3,-1.5 32,-0.1 -1,-0.3 -0.882 59.1-110.9 162.3 172.6 174.6 194.6 101.5 87 87 A T E -M 82 0D 51 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.915 15.3-168.4-131.2 150.2 177.6 192.5 102.4 88 88 A V E -M 81 0D 2 -7,-2.7 -7,-2.6 -2,-0.3 2,-0.3 -0.971 10.5-170.2-132.0 160.6 180.3 190.5 100.7 89 89 A S E +MN 80 113D 16 24,-1.7 23,-2.1 -2,-0.3 24,-1.7 -0.998 25.0 101.1-152.6 147.9 182.8 188.1 102.0 90 90 A G E -MN 79 111D 8 -11,-2.7 -11,-2.6 -2,-0.3 2,-0.3 -0.854 57.7 -63.2 177.2-136.6 185.9 186.1 101.1 91 91 A F E -MN 78 110D 36 19,-2.0 19,-3.2 -13,-0.3 2,-0.3 -0.946 43.4 -98.8-144.2 159.0 189.7 186.2 101.5 92 92 A L E + N 0 109D 10 -15,-1.9 -16,-3.2 -2,-0.3 -17,-0.6 -0.599 37.7 167.4 -87.3 139.1 192.7 188.5 100.5 93 93 A S E -MN 74 108D 0 15,-3.0 15,-3.6 -2,-0.3 2,-0.4 -0.875 23.0-137.1-135.5 170.1 195.0 187.9 97.5 94 94 A Q E +MN 73 107D 51 -21,-1.7 -21,-2.6 -2,-0.3 2,-0.3 -0.992 32.7 143.7-131.2 139.6 197.6 190.0 95.8 95 95 A D E - 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