Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3py6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE SER 1.A OG no hydrogen 3.388 N/A ARG 3.A NH1 ALA 50.A O no hydrogen 3.103 N/A ARG 3.A NH2 SER 1.A OG no hydrogen 3.398 N/A ASN 4.A N ASP 49.A O no hydrogen 2.984 N/A CYS 5.A N TYR 48.A O no hydrogen 3.094 N/A CYS 5.A SG ARG 3.A O no hydrogen 3.680 N/A CYS 5.A SG LEU 6.A O no hydrogen 3.851 N/A LEU 6.A N VAL 268.A O no hydrogen 2.962 N/A ARG 7.A N GLU 46.A O no hydrogen 2.802 N/A ARG 7.A NE GLU 46.A OE1 no hydrogen 2.856 N/A ARG 7.A NH1 GLU 46.A OE1 no hydrogen 2.900 N/A PHE 8.A N PHE 266.A O no hydrogen 2.833 N/A THR 9.A N LEU 44.A O no hydrogen 3.005 N/A LEU 10.A N LEU 264.A O no hydrogen 2.761 N/A LEU 11.A N SER 42.A O no hydrogen 2.992 N/A GLY 12.A N SER 42.A O no hydrogen 3.240 N/A CYS 13.A N ASP 262.A OD1 no hydrogen 2.938 N/A CYS 13.A SG ASP 262.A OD1 no hydrogen 3.410 N/A GLY 14.A N ARG 39.A O no hydrogen 2.836 N/A SER 15.A N MET 240.A O no hydrogen 3.313 N/A SER 15.A OG HIS 241.A ND1 no hydrogen 2.809 N/A GLY 18.A N SER 15.A O no hydrogen 2.951 N/A VAL 19.A N ARG 38.A O no hydrogen 3.059 N/A ARG 21.A N ASP 25.A O no hydrogen 2.941 N/A ARG 21.A NE ASP 25.A OD2 no hydrogen 2.883 N/A GLY 24.A N ARG 21.A O no hydrogen 2.877 N/A ASP 25.A N ASN 23.A OD1 no hydrogen 3.013 N/A GLY 27.A N ASP 25.A OD1 no hydrogen 2.919 N/A LYS 28.A N VAL 242.A O no hydrogen 2.949 N/A CYS 29.A N TRP 26.A O no hydrogen 2.971 N/A CYS 29.A SG VAL 242.A O no hydrogen 3.543 N/A CYS 29.A SG LEU 244.A O no hydrogen 3.193 N/A ASP 30.A N ASP 245.A OD1 no hydrogen 2.875 N/A LYS 32.A N ASP 30.A OD1 no hydrogen 2.939 N/A ASN 33.A N ASP 30.A O no hydrogen 3.162 N/A LYS 35.A N ASN 33.A OD1 no hydrogen 2.995 N/A LYS 35.A NZ TYR 246.A OH no hydrogen 3.102 N/A ASN 36.A N ASN 33.A O no hydrogen 2.975 N/A ASN 36.A ND2 ASP 30.A O no hydrogen 3.003 N/A ASN 36.A ND2 ASP 245.A OD1 no hydrogen 2.905 N/A ARG 37.A N PRO 34.A O no hydrogen 3.022 N/A ARG 38.A N VAL 19.A O no hydrogen 2.794 N/A ARG 38.A NH1 MET 240.A O no hydrogen 3.192 N/A ARG 38.A NH1 LEU 244.A O no hydrogen 3.066 N/A ARG 38.A NH2 LEU 244.A O no hydrogen 2.803 N/A ARG 39.A N ASP 262.A OD2 no hydrogen 2.749 N/A ARG 39.A NH1 ASP 71.A OD2 no hydrogen 2.935 N/A ARG 39.A NH2 ASP 71.A OD2 no hydrogen 2.910 N/A ARG 40.A N ASP 64.A OD2 no hydrogen 2.958 N/A ARG 40.A NE ASP 64.A OD2 no hydrogen 2.855 N/A ARG 40.A NH1 SER 16.A O no hydrogen 2.752 N/A SER 42.A N GLY 12.A O no hydrogen 3.238 N/A SER 42.A OG ILE 59.A O no hydrogen 2.908 N/A SER 42.A OG ASP 60.A O no hydrogen 3.025 N/A LEU 43.A N ILE 59.A O no hydrogen 3.238 N/A LEU 44.A N THR 9.A O no hydrogen 2.851 N/A VAL 45.A N VAL 57.A O no hydrogen 2.785 N/A GLU 46.A N ARG 7.A O no hydrogen 2.888 N/A ARG 47.A N THR 55.A O no hydrogen 2.933 N/A ARG 47.A NH1 ALA 158.A O no hydrogen 2.899 N/A TYR 48.A N CYS 5.A O no hydrogen 2.820 N/A TYR 48.A OH GLU 46.A OE2 no hydrogen 2.611 N/A ASP 49.A N ASN 53.A O no hydrogen 3.015 N/A GLU 51.A N ASP 49.A OD1 no hydrogen 2.923 N/A GLY 52.A N ASP 49.A O no hydrogen 3.273 N/A ASN 53.A N ASP 49.A OD1 no hydrogen 2.873 N/A ASN 53.A ND2 ASP 49.A OD2 no hydrogen 2.930 N/A ASN 54.A ND2 GLU 46.A OE2 no hydrogen 3.070 N/A THR 55.A N ARG 47.A O no hydrogen 2.914 N/A THR 55.A OG1 GLY 157.A O no hydrogen 2.672 N/A VAL 56.A N ASP 78.A OD2 no hydrogen 2.831 N/A VAL 57.A N VAL 45.A O no hydrogen 2.808 N/A VAL 58.A N ALA 79.A O no hydrogen 3.095 N/A ILE 59.A N LEU 43.A O no hydrogen 2.799 N/A ASP 60.A N VAL 81.A O no hydrogen 2.845 N/A THR 61.A N HIS 89.A O no hydrogen 2.956 N/A THR 61.A OG1 THR 61.A O no hydrogen 2.645 N/A THR 61.A OG1 TYR 82.A OH no hydrogen 2.720 N/A PHE 65.A N GLY 62.A O no hydrogen 3.057 N/A GLN 68.A N ASP 64.A O no hydrogen 2.879 N/A GLN 68.A NE2 ARG 40.A O no hydrogen 2.845 N/A MET 69.A N PHE 65.A O no hydrogen 2.862 N/A ILE 70.A N ARG 66.A O no hydrogen 2.962 N/A ASP 71.A N MET 67.A O no hydrogen 2.922 N/A SER 72.A N GLN 68.A O no hydrogen 3.006 N/A SER 72.A N MET 69.A O no hydrogen 3.228 N/A SER 72.A OG MET 69.A O no hydrogen 2.697 N/A GLY 73.A N ILE 70.A O no hydrogen 3.206 N/A VAL 74.A N SER 72.A OG no hydrogen 3.063 N/A ASP 78.A N VAL 56.A O no hydrogen 2.854 N/A ALA 80.A N ASP 108.A O no hydrogen 3.128 N/A VAL 81.A N VAL 58.A O no hydrogen 2.814 N/A TYR 82.A N TYR 110.A O no hydrogen 2.981 N/A TYR 82.A OH THR 61.A OG1 no hydrogen 2.720 N/A THR 83.A N ASP 60.A OD1 no hydrogen 2.821 N/A THR 83.A OG1 ASP 60.A OD1 no hydrogen 3.274 N/A THR 83.A OG1 ASP 60.A OD2 no hydrogen 2.646 N/A THR 83.A OG1 HIS 84.A ND1 no hydrogen 2.851 N/A HIS 84.A ND1 THR 83.A OG1 no hydrogen 2.851 N/A ASP 88.A N ASP 88.A OD1 no hydrogen 2.659 N/A HIS 89.A N HIS 86.A O no hydrogen 2.792 N/A HIS 89.A ND1 ASP 60.A OD2 no hydrogen 2.879 N/A ILE 90.A N ALA 87.A O no hydrogen 3.295 N/A HIS 91.A N ALA 87.A O no hydrogen 3.090 N/A GLY 92.A N THR 61.A O no hydrogen 2.880 N/A ILE 93.A N ILE 90.A O no hydrogen 3.087 N/A ASP 95.A N GLY 92.A O no hydrogen 3.022 N/A LEU 96.A N ILE 93.A O no hydrogen 3.071 N/A ARG 97.A N ASP 94.A O no hydrogen 3.033 N/A ARG 97.A NH2 ASP 94.A OD1 no hydrogen 3.035 N/A TYR 99.A N LEU 96.A O no hydrogen 3.131 N/A VAL 100.A N ARG 97.A O no hydrogen 3.030 N/A VAL 101.A N ARG 97.A O no hydrogen 3.319 N/A ASP 102.A N THR 98.A O no hydrogen 3.039 N/A ASN 103.A N TYR 99.A O no hydrogen 2.759 N/A ASN 103.A ND2 LEU 77.A O no hydrogen 3.103 N/A GLY 104.A N VAL 100.A O no hydrogen 2.886 N/A GLY 104.A N VAL 101.A O no hydrogen 3.354 N/A MET 107.A N ILE 138.A O no hydrogen 2.839 N/A VAL 109.A N SER 140.A O no hydrogen 2.878 N/A TYR 110.A N ALA 80.A O no hydrogen 2.894 N/A ALA 111.A N HIS 142.A O no hydrogen 3.089 N/A THR 115.A N ASN 112.A OD1 no hydrogen 2.883 N/A THR 115.A OG1 ASN 112.A OD1 no hydrogen 2.638 N/A ARG 116.A N ASN 112.A O no hydrogen 2.870 N/A ARG 116.A NH1 ASP 143.A OD1 no hydrogen 2.774 N/A ARG 116.A NH2 ASP 143.A OD1 no hydrogen 3.071 N/A ASN 117.A N ARG 113.A O no hydrogen 2.878 N/A ARG 118.A N LEU 114.A O no hydrogen 3.208 N/A LEU 119.A N THR 115.A O no hydrogen 2.859 N/A TYR 120.A N ARG 116.A O no hydrogen 2.878 N/A ASP 121.A N ASN 117.A O no hydrogen 3.180 N/A THR 122.A N ARG 118.A O no hydrogen 3.041 N/A THR 122.A OG1 ARG 118.A O no hydrogen 2.187 N/A PHE 123.A N LEU 119.A O no hydrogen 2.733 N/A TYR 125.A OH ASP 94.A OD1 no hydrogen 2.631 N/A CYS 126.A N PHE 123.A O no hydrogen 2.864 N/A PHE 127.A N GLY 124.A O no hydrogen 2.856 N/A GLU 128.A N GLY 124.A O no hydrogen 3.000 N/A THR 129.A OG1 TYR 135.A O no hydrogen 2.660 N/A SER 133.A N PRO 130.A O no hydrogen 3.192 N/A TYR 135.A N SER 133.A OG no hydrogen 3.054 N/A ILE 138.A N CYS 126.A O no hydrogen 2.886 N/A LEU 139.A N CYS 126.A O no hydrogen 3.076 N/A SER 140.A N MET 107.A O no hydrogen 2.810 N/A HIS 142.A N VAL 109.A O no hydrogen 2.818 N/A HIS 142.A NE2 ASP 108.A OD1 no hydrogen 2.785 N/A ILE 144.A N ALA 111.A O no hydrogen 3.160 N/A GLU 147.A N PRO 163.A O no hydrogen 2.874 N/A THR 148.A N ALA 145.A O no hydrogen 3.237 N/A PHE 150.A N PHE 161.A O no hydrogen 2.938 N/A ILE 152.A N ILE 159.A O no hydrogen 2.928 N/A GLY 156.A N THR 55.A OG1 no hydrogen 2.909 N/A GLY 157.A N GLY 154.A O no hydrogen 2.953 N/A ILE 159.A N ILE 152.A O no hydrogen 2.895 N/A PHE 161.A N PHE 150.A O no hydrogen 2.798 N/A GLU 162.A N ARG 177.A O no hydrogen 2.884 N/A PHE 164.A N GLY 175.A O no hydrogen 2.991 N/A SER 165.A OG GLU 172.A OE1 no hydrogen 2.704 N/A GLN 166.A N SER 173.A O no hydrogen 2.868 N/A GLN 166.A NE2 SER 173.A OG no hydrogen 3.056 N/A GLN 166.A NE2 THR 185.A O no hydrogen 2.976 N/A VAL 167.A N ALA 189.A O no hydrogen 2.966 N/A HIS 168.A N ILE 171.A O no hydrogen 2.806 N/A HIS 168.A ND1 SER 216.A O no hydrogen 2.781 N/A GLY 169.A N SER 188.A OG no hydrogen 2.995 N/A ILE 171.A N HIS 168.A O no hydrogen 3.135 N/A SER 173.A N GLN 166.A O no hydrogen 2.994 N/A SER 173.A OG ASP 186.A O no hydrogen 2.714 N/A LEU 174.A N THR 83.A O no hydrogen 2.959 N/A GLY 175.A N PHE 164.A O no hydrogen 2.991 N/A PHE 176.A N TYR 183.A O no hydrogen 3.106 N/A ARG 177.A N GLU 162.A O no hydrogen 2.957 N/A ARG 177.A NE.A GLU 162.A OE1 no hydrogen 3.470 N/A ARG 177.A NE.A GLU 162.A OE2 no hydrogen 2.974 N/A ARG 177.A NE.B GLY 179.A O no hydrogen 2.839 N/A ARG 177.A NH1.A GLU 162.A OE1 no hydrogen 2.883 N/A ARG 177.A NH1.B ASP 200.A O no hydrogen 3.394 N/A ARG 177.A NH2.A GLN 196.A O no hydrogen 3.077 N/A ARG 177.A NH2.B TYR 197.A O no hydrogen 2.995 N/A ARG 177.A NH2.B LYS 199.A O no hydrogen 2.951 N/A ILE 178.A N VAL 181.A O no hydrogen 2.749 N/A SER 180.A OG.B ASP 202.A OD2 no hydrogen 3.292 N/A VAL 181.A N ILE 178.A O no hydrogen 3.116 N/A VAL 182.A N VAL 203.A O no hydrogen 2.937 N/A TYR 183.A N PHE 176.A O no hydrogen 2.867 N/A CYS 184.A N ILE 205.A O no hydrogen 2.771 N/A THR 185.A OG1 ASP 186.A OD1 no hydrogen 2.764 N/A SER 188.A N VAL 167.A O no hydrogen 2.711 N/A SER 188.A OG VAL 167.A O no hydrogen 3.265 N/A ALA 189.A N VAL 167.A O no hydrogen 3.412 N/A GLN 193.A N GLN 193.A OE1 no hydrogen 2.829 N/A SER 194.A N PRO 191.A O no hydrogen 3.008 N/A SER 194.A OG SER 165.A O no hydrogen 2.668 N/A LEU 195.A N GLU 192.A O no hydrogen 3.277 N/A TYR 197.A N SER 194.A O no hydrogen 3.057 N/A TYR 197.A OH GLU 147.A OE2 no hydrogen 2.974 N/A ILE 198.A N LEU 195.A O no hydrogen 3.075 N/A LYS 199.A N LEU 195.A O no hydrogen 3.064 N/A LYS 199.A NZ ASP 200.A OD2 no hydrogen 2.629 N/A ASP 200.A N LEU 230.A O no hydrogen 2.997 N/A ASP 202.A N SER 180.A OG.A no hydrogen 3.124 N/A VAL 203.A N SER 180.A O no hydrogen 3.205 N/A LEU 204.A N ARG 234.A O no hydrogen 2.939 N/A ILE 205.A N VAL 182.A O no hydrogen 2.738 N/A ILE 206.A N ILE 236.A O no hydrogen 2.972 N/A GLY 207.A N CYS 184.A O no hydrogen 2.798 N/A ALA 208.A N THR 238.A O no hydrogen 2.971 N/A LEU 209.A N PHE 218.A O no hydrogen 2.921 N/A GLN 210.A NE2 ARG 212.A O no hydrogen 3.140 N/A GLN 210.A NE2 PRO 213.A O no hydrogen 3.520 N/A TYR 211.A OH GLU 252.A OE1 no hydrogen 2.626 N/A TYR 211.A OH GLU 252.A OE2 no hydrogen 3.415 N/A SER 216.A N HIS 214.A ND1 no hydrogen 3.065 N/A PHE 218.A N VAL 187.A O no hydrogen 3.053 N/A SER 219.A N GLU 222.A OE1 no hydrogen 3.101 N/A LEU 220.A N GLN 210.A O no hydrogen 2.846 N/A GLU 222.A N SER 219.A OG no hydrogen 3.199 N/A ALA 223.A N SER 219.A O no hydrogen 2.884 N/A LEU 224.A N LEU 220.A O no hydrogen 2.934 N/A GLU 225.A N GLY 221.A O no hydrogen 2.981 N/A TRP 226.A N GLU 222.A O no hydrogen 3.027 N/A ILE 227.A N ALA 223.A O no hydrogen 2.888 N/A GLU 228.A N LEU 224.A O no hydrogen 2.920 N/A LYS 229.A N GLU 225.A O no hydrogen 3.157 N/A LEU 230.A N TRP 226.A O no hydrogen 2.877 N/A SER 231.A N ILE 227.A O no hydrogen 3.025 N/A LYS 233.A N ALA 201.A O no hydrogen 2.909 N/A ARG 234.A N ASP 202.A O no hydrogen 3.095 N/A ARG 234.A NH1 LYS 233.A O no hydrogen 3.434 N/A ALA 235.A N HIS 256.A O no hydrogen 2.842 N/A ILE 236.A N LEU 204.A O no hydrogen 2.832 N/A LEU 237.A N GLU 258.A O no hydrogen 2.818 N/A THR 238.A N ILE 206.A O no hydrogen 2.954 N/A HIS 239.A N THR 238.A OG1 no hydrogen 2.815 N/A HIS 239.A ND1 HIS 239.A O no hydrogen 2.922 N/A MET 240.A N CYS 13.A O no hydrogen 2.892 N/A HIS 241.A N LEU 209.A O no hydrogen 2.809 N/A HIS 241.A ND1 SER 15.A OG no hydrogen 2.809 N/A LEU 244.A N HIS 241.A O no hydrogen 3.041 N/A TYR 246.A N ASN 36.A OD1 no hydrogen 2.855 N/A THR 248.A N ASP 245.A OD2 no hydrogen 3.035 N/A THR 248.A OG1 ASP 245.A OD2 no hydrogen 2.851 N/A VAL 249.A N ASP 245.A O no hydrogen 2.891 N/A MET 250.A N TYR 246.A O no hydrogen 2.926 N/A ARG 251.A N GLU 247.A O no hydrogen 3.159 N/A GLU 252.A N THR 248.A O no hydrogen 3.137 N/A THR 253.A OG1 VAL 249.A O no hydrogen 2.719 N/A THR 253.A OG1 MET 250.A O no hydrogen 3.141 N/A THR 253.A OG1 VAL 257.A O no hydrogen 3.386 N/A HIS 256.A N HIS 256.A ND1 no hydrogen 2.993 N/A VAL 257.A N PRO 254.A O no hydrogen 3.024 N/A GLU 258.A N ALA 235.A O no hydrogen 2.935 N/A GLY 260.A N LEU 237.A O no hydrogen 2.831 N/A GLY 263.A N LEU 10.A O no hydrogen 2.777 N/A LEU 264.A N TYR 261.A O no hydrogen 3.046 N/A ARG 265.A NE THR 9.A OG1 no hydrogen 2.992 N/A ARG 265.A NH2 THR 9.A OG1 no hydrogen 3.120 N/A ARG 265.A NH2 SER 72.A O no hydrogen 3.016 N/A PHE 266.A N PHE 8.A O no hydrogen 3.007 N/A VAL 268.A N LEU 6.A O no hydrogen 2.902 N/A