==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-09 3G70 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.BEZENCON,D.BUR,L.PRADE,T.WELLER,C.BOSS,W.FISCHLI . 671 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 211 31.4 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 . 66 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 0 3 0 1 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 . 3 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 . 3 8 7 4 9 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 1 0 3 0 3 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 4 A G 0 0 73 0, 0.0 148,-0.1 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 179.6 20.2 33.8 4.4 2 5 A N + 0 0 129 2,-0.0 2,-0.4 149,-0.0 148,-0.2 -0.488 360.0 115.5-126.6 59.6 17.6 34.9 7.0 3 6 A T B -a 150 0A 68 146,-1.0 148,-2.2 170,-0.0 2,-0.3 -0.981 35.9-176.4-128.8 143.0 14.5 33.1 6.0 4 7 A T - 0 0 77 -2,-0.4 2,-0.4 146,-0.2 169,-0.2 -0.942 10.3-159.3-124.7 157.8 12.3 30.4 7.4 5 8 A S E -B 172 0B 8 167,-2.3 167,-4.1 -2,-0.3 2,-0.3 -0.989 5.6-167.0-140.3 122.0 9.3 28.8 5.7 6 9 A S E -B 171 0B 58 -2,-0.4 2,-0.4 165,-0.3 165,-0.2 -0.851 4.4-159.3-111.7 150.9 6.5 27.0 7.5 7 10 A V E -B 170 0B 13 163,-2.5 163,-2.2 -2,-0.3 2,-0.3 -0.999 20.3-125.8-128.7 129.5 3.8 24.8 6.0 8 11 A I E -B 169 0B 104 -2,-0.4 12,-0.5 161,-0.2 2,-0.3 -0.573 27.0-151.1 -72.4 133.6 0.4 24.0 7.7 9 12 A L E -B 168 0B 3 159,-2.5 159,-1.0 -2,-0.3 158,-0.8 -0.812 7.0-140.4-108.5 151.6 -0.4 20.3 8.2 10 13 A T E -G 18 0C 68 8,-2.5 8,-1.9 -2,-0.3 2,-0.7 -0.896 14.5-143.8-102.6 133.7 -3.7 18.5 8.3 11 14 A N E -G 17 0C 20 -2,-0.4 2,-0.8 6,-0.2 6,-0.2 -0.897 11.2-165.2 -99.8 109.4 -4.0 15.6 10.9 12 15 A Y E >> S-G 16 0C 73 4,-3.2 3,-2.3 -2,-0.7 4,-1.4 -0.901 71.3 -41.6 -96.1 107.1 -6.2 12.7 9.5 13 16 A M T 34 S- 0 0 115 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.715 102.4 -70.9 50.9 32.0 -7.1 10.4 12.5 14 17 A D T 34 S+ 0 0 26 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.511 128.7 79.8 70.1 2.8 -3.6 10.6 14.0 15 18 A T T <4 S+ 0 0 28 -3,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.592 87.4 46.3-114.7 -16.3 -2.1 8.5 11.2 16 19 A Q E < +G 12 0C 27 -4,-1.4 -4,-3.2 208,-0.1 2,-0.5 -0.973 53.5 180.0-138.2 122.1 -1.6 10.9 8.3 17 20 A Y E +G 11 0C 6 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.975 21.9 165.2-125.3 111.7 -0.1 14.4 8.5 18 21 A Y E -G 10 0C 24 -8,-1.9 -8,-2.5 -2,-0.5 2,-0.2 -0.952 17.1-174.7-136.6 158.7 0.0 16.2 5.2 19 22 A G E -H 32 0D 6 13,-2.7 13,-3.0 -2,-0.3 2,-0.3 -0.823 31.3 -84.9-143.8 174.9 0.6 19.6 3.6 20 23 A E E +H 31 0D 120 -12,-0.5 77,-0.4 -2,-0.2 2,-0.3 -0.611 33.1 172.4 -94.2 144.1 0.5 21.4 0.3 21 24 A I E -H 30 0D 3 9,-1.9 9,-2.1 -2,-0.3 2,-0.4 -0.925 20.7-142.0-129.2 163.2 3.1 21.8 -2.4 22 25 A G E -HI 29 95D 3 73,-1.9 73,-3.0 -2,-0.3 2,-0.4 -0.990 14.4-167.0-125.5 134.7 2.7 23.3 -5.9 23 26 A I E > -HI 28 94D 0 5,-2.3 5,-1.8 -2,-0.4 71,-0.2 -0.991 45.2 -4.3-125.7 127.7 4.4 21.8 -9.0 24 27 A G T 5S- 0 0 7 69,-3.1 42,-0.1 -2,-0.4 71,-0.1 -0.287 90.2 -35.4 98.7-178.4 4.7 23.4 -12.4 25 28 A T T 5S+ 0 0 60 1,-0.2 42,-2.1 2,-0.1 43,-0.3 -0.993 134.2 22.3-129.4 114.2 3.6 26.6 -14.2 26 29 A P T 5S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 0.773 121.1 -99.4 -73.9 169.2 0.9 27.4 -13.5 27 30 A P T 5 - 0 0 88 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.279 29.0-158.1 -62.6 130.7 1.1 25.6 -10.1 28 31 A Q E < -H 23 0D 36 -5,-1.8 -5,-2.3 -2,-0.0 2,-0.3 -0.979 22.5-139.0-106.9 118.4 -0.6 22.1 -9.7 29 32 A T E +H 22 0D 74 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.598 24.1 176.4 -92.9 142.0 -1.3 21.5 -6.0 30 33 A F E -H 21 0D 5 -9,-2.1 -9,-1.9 -2,-0.3 2,-0.5 -0.984 29.3-126.7-138.9 141.8 -0.9 18.2 -4.2 31 34 A K E -H 20 0D 73 -2,-0.3 92,-2.7 -11,-0.2 91,-1.8 -0.807 40.5-179.8 -87.3 131.1 -1.2 17.1 -0.6 32 35 A V E -Hj 19 123D 0 -13,-3.0 -13,-2.7 -2,-0.5 2,-0.4 -0.964 32.3-127.7-134.8 146.6 1.9 15.4 0.5 33 36 A V E - j 0 124D 11 90,-1.8 92,-2.8 -2,-0.3 2,-0.7 -0.808 25.4-136.7 -79.2 131.9 3.5 13.7 3.5 34 37 A F E - j 0 125D 3 -2,-0.4 2,-0.5 -17,-0.4 92,-0.2 -0.884 32.1-166.3 -89.9 111.1 6.9 15.2 4.5 35 38 A D E > - j 0 126D 23 90,-2.1 92,-3.6 -2,-0.7 3,-0.8 -0.911 30.6-171.8-119.3 112.1 8.8 11.9 5.1 36 39 A T T 3 S+ 0 0 3 -2,-0.5 159,-0.5 1,-0.2 93,-0.2 0.618 85.6 67.0 -75.4 -10.7 12.2 11.6 6.9 37 40 A G T 3 S+ 0 0 36 91,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.262 102.8 44.1 -93.9 11.6 12.4 7.8 6.0 38 41 A S < - 0 0 35 -3,-0.8 90,-2.3 87,-0.1 89,-0.3 -0.963 59.8-153.1-150.0 162.8 12.7 8.4 2.2 39 42 A S + 0 0 4 93,-0.4 2,-0.3 -2,-0.3 101,-0.1 0.225 65.2 84.2-123.4 9.5 14.7 10.7 -0.2 40 43 A N - 0 0 10 99,-0.1 86,-1.1 92,-0.1 2,-0.4 -0.890 67.5-130.4-115.9 147.2 12.5 11.0 -3.4 41 44 A V E -K 125 0D 3 63,-0.4 65,-3.0 -2,-0.3 2,-0.4 -0.811 31.9-175.4 -87.5 134.2 9.6 13.2 -4.3 42 45 A W E +Kl 124 106D 24 82,-2.6 82,-2.2 -2,-0.4 65,-0.2 -0.995 13.4 164.9-132.0 130.4 6.6 11.2 -5.7 43 46 A V E - l 0 107D 2 63,-2.4 65,-2.6 -2,-0.4 80,-0.1 -0.961 44.4 -95.7-131.0 158.3 3.3 12.4 -7.1 44 47 A P E - l 0 108D 0 0, 0.0 17,-3.5 0, 0.0 2,-0.3 -0.435 41.9-127.1 -68.7 144.1 0.7 10.4 -9.2 45 48 A S B > -o 61 0E 0 63,-2.9 3,-2.1 15,-0.2 17,-0.2 -0.659 11.7-132.2 -93.8 147.9 1.0 10.8 -13.0 46 49 A S T 3 S+ 0 0 39 15,-2.4 16,-0.1 -2,-0.3 -1,-0.1 0.686 111.4 68.7 -64.3 -16.4 -1.7 11.7 -15.4 47 50 A K T 3 S+ 0 0 110 14,-0.3 2,-0.4 61,-0.1 -1,-0.3 0.516 73.9 113.1 -79.6 -2.1 -0.2 8.7 -17.2 48 51 A a S < S- 0 0 7 -3,-2.1 62,-0.1 60,-0.2 4,-0.1 -0.580 76.6-114.3 -71.4 121.8 -1.6 6.4 -14.5 49 52 A S > - 0 0 58 60,-0.7 3,-1.6 -2,-0.4 7,-0.2 -0.235 14.8-127.3 -51.7 138.7 -4.4 4.1 -15.8 50 53 A R T 3 S+ 0 0 205 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.540 104.7 78.8 -71.5 -0.6 -7.8 4.8 -14.4 51 54 A L T 3 S+ 0 0 136 4,-0.0 2,-0.5 5,-0.0 -1,-0.3 0.179 74.6 88.4 -89.0 16.2 -7.9 1.1 -13.6 52 55 A Y X> - 0 0 75 -3,-1.6 4,-2.3 1,-0.1 3,-0.7 -0.980 66.1-159.8-105.8 117.7 -5.7 2.0 -10.6 53 56 A T H 3> S+ 0 0 53 -2,-0.5 4,-1.8 1,-0.3 -1,-0.1 0.904 92.6 59.0 -61.2 -41.3 -7.9 2.8 -7.6 54 57 A A H 34 S+ 0 0 0 57,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.762 110.5 43.6 -58.1 -26.0 -5.0 4.7 -5.9 55 58 A a H X4 S+ 0 0 2 -3,-0.7 3,-1.9 -6,-0.2 -2,-0.2 0.937 107.6 56.2 -86.3 -45.4 -4.9 6.9 -9.0 56 59 A V H 3< S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.818 108.5 48.3 -49.1 -43.6 -8.6 7.5 -9.4 57 60 A Y T 3< S+ 0 0 148 -4,-1.8 -1,-0.3 2,-0.1 2,-0.3 0.378 108.7 65.0 -81.7 1.3 -9.0 8.9 -5.9 58 61 A H S < S- 0 0 22 -3,-1.9 2,-0.2 -5,-0.1 64,-0.1 -0.803 88.4 -95.9-128.2 161.0 -6.0 11.3 -6.1 59 62 A K - 0 0 118 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.606 41.0-144.4 -75.0 142.6 -4.8 14.4 -8.0 60 63 A L - 0 0 63 -2,-0.2 2,-0.5 -17,-0.1 -15,-0.2 -0.892 9.4-124.6-111.9 132.6 -2.6 13.6 -11.0 61 64 A F B -o 45 0E 0 -17,-3.5 -15,-2.4 -2,-0.4 2,-0.6 -0.642 23.2-162.4 -74.1 123.3 0.4 15.6 -12.3 62 65 A D > - 0 0 43 -2,-0.5 3,-1.3 -17,-0.2 4,-0.2 -0.921 12.8-172.0-111.8 111.1 -0.0 16.5 -15.9 63 66 A A G > S+ 0 0 7 -2,-0.6 3,-2.0 1,-0.3 6,-0.3 0.839 83.4 69.9 -67.3 -33.2 3.2 17.6 -17.6 64 67 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.508 99.5 49.6 -69.1 -2.4 1.2 18.7 -20.7 65 68 A D G < S+ 0 0 104 -3,-1.3 2,-0.5 -39,-0.0 -1,-0.3 0.458 94.9 85.5-106.6 -4.1 -0.2 21.6 -18.7 66 69 A S < - 0 0 13 -3,-2.0 3,-0.5 -4,-0.2 -42,-0.1 -0.872 53.4-167.3-106.2 128.7 3.1 22.9 -17.3 67 70 A S S S+ 0 0 103 -42,-2.1 -1,-0.1 -2,-0.5 -4,-0.0 0.675 90.0 52.8 -83.8 -16.1 5.3 25.3 -19.3 68 71 A S S S+ 0 0 31 -43,-0.3 -1,-0.2 -42,-0.1 -44,-0.1 0.416 81.5 123.1-101.4 4.6 8.3 24.8 -17.1 69 72 A Y - 0 0 57 -3,-0.5 2,-0.4 -6,-0.3 23,-0.2 -0.298 43.5-160.6 -68.4 143.0 8.4 21.0 -17.3 70 73 A K E -M 91 0D 132 21,-2.3 21,-1.9 -2,-0.0 -2,-0.0 -0.969 17.2-128.5-132.6 117.7 11.6 19.2 -18.5 71 74 A H E +M 90 0D 141 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.222 41.0 149.9 -57.3 143.9 11.4 15.6 -19.7 72 75 A N E - 0 0 59 17,-0.7 18,-0.2 2,-0.0 -1,-0.2 0.279 22.7-169.7-132.9 -69.1 13.7 13.0 -18.4 73 76 A G E + 0 0 31 16,-2.4 2,-0.2 1,-0.3 17,-0.1 0.393 24.5 151.5 97.9 -1.4 11.9 9.7 -18.6 74 77 A T E - 0 0 81 15,-0.1 15,-2.0 1,-0.1 -1,-0.3 -0.456 49.1-114.2 -64.3 129.4 14.2 7.4 -16.5 75 78 A E E -M 88 0D 172 13,-0.2 2,-0.4 -2,-0.2 13,-0.3 -0.442 31.0-164.7 -71.3 140.2 12.2 4.6 -14.9 76 79 A L E -M 87 0D 6 11,-2.2 11,-2.3 -2,-0.2 2,-0.4 -0.986 3.8-169.8-129.8 134.7 12.0 4.5 -11.1 77 80 A T E -M 86 0D 65 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.984 11.8-173.1-131.5 135.4 10.9 1.6 -8.9 78 81 A L E -M 85 0D 65 7,-3.1 7,-2.8 -2,-0.4 2,-1.4 -0.992 18.1-147.5-118.8 123.7 10.0 1.2 -5.2 79 82 A R E +M 84 0D 214 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.662 29.1 179.4 -91.6 86.4 9.4 -2.3 -3.9 80 83 A Y E > -M 83 0D 99 -2,-1.4 3,-0.5 3,-1.2 -2,-0.0 -0.169 41.5 -95.8 -77.8 176.5 6.8 -1.6 -1.2 81 84 A S T 3 S+ 0 0 103 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 0.902 121.9 37.8 -61.1 -50.6 5.2 -4.4 1.1 82 85 A T T 3 S- 0 0 78 1,-0.2 2,-0.3 32,-0.1 -1,-0.2 0.388 131.1 -60.0 -82.6 -2.7 2.0 -4.9 -1.0 83 86 A G E < S-M 80 0D 26 -3,-0.5 -3,-1.2 29,-0.1 2,-0.3 -0.887 72.7 -38.2 146.0-174.8 3.7 -4.5 -4.3 84 87 A T E -M 79 0D 64 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.588 33.2-160.6 -90.0 135.5 5.7 -2.3 -6.6 85 88 A V E +M 78 0D 11 -7,-2.8 -7,-3.1 -2,-0.3 2,-0.3 -0.979 28.6 166.4-107.0 122.4 5.3 1.5 -7.0 86 89 A S E +MN 77 110D 12 24,-2.2 23,-1.9 -2,-0.5 24,-1.6 -0.970 9.9 128.4-138.9 157.1 6.9 2.6 -10.3 87 90 A G E -MN 76 108D 5 -11,-2.3 -11,-2.2 -2,-0.3 2,-0.3 -0.774 45.2 -81.7-166.4-143.8 7.0 5.6 -12.5 88 91 A F E -MN 75 107D 35 19,-1.6 19,-2.5 -13,-0.3 -13,-0.2 -0.968 36.0 -97.7-146.8 161.0 9.4 7.9 -14.3 89 92 A L E + N 0 106D 14 -15,-2.0 -16,-2.4 -2,-0.3 -17,-0.7 -0.543 39.0 167.3 -87.0 143.4 11.5 11.0 -13.6 90 93 A S E -MN 71 105D 0 15,-2.1 15,-2.6 -2,-0.2 2,-0.4 -0.950 23.3-140.2-142.5 156.9 10.5 14.5 -14.5 91 94 A Q E +MN 70 104D 57 -21,-1.9 -21,-2.3 -2,-0.3 2,-0.3 -0.977 34.5 139.8-118.7 137.3 11.8 17.9 -13.6 92 95 A D E - 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