Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r9o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ARG 22.A O no hydrogen 3.087 N/A VAL 7.A N LYS 20.A O no hydrogen 2.721 N/A GLU 8.A N LYS 20.A O no hydrogen 3.427 N/A ILE 10.A N VAL 18.A O no hydrogen 2.904 N/A TYR 15.A OH PHE 144.A O no hydrogen 2.657 N/A TYR 19.A N LEU 32.A O no hydrogen 2.820 N/A LYS 20.A N GLU 8.A O no hydrogen 2.727 N/A ALA 21.A N VAL 30.A O no hydrogen 2.777 N/A ASN 23.A N GLU 28.A O no hydrogen 2.718 N/A LYS 24.A N ASN 3.A O no hydrogen 2.948 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.029 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.834 N/A THR 26.A OG1 GLU 28.A OE2 no hydrogen 2.622 N/A GLY 27.A N ASN 23.A O no hydrogen 2.751 N/A VAL 30.A N ALA 21.A O no hydrogen 2.638 N/A ALA 31.A N PHE 72.A O no hydrogen 2.956 N/A LEU 32.A N TYR 19.A O no hydrogen 2.686 N/A LYS 33.A N LEU 70.A O no hydrogen 2.793 N/A LYS 34.A N VAL 17.A O no hydrogen 3.281 N/A ILE 35.A N LEU 68.A O no hydrogen 2.615 N/A ARG 36.A N TYR 15.A O no hydrogen 3.468 N/A ARG 42.A N SER 38.A O no hydrogen 2.954 N/A GLU 43.A N THR 39.A O no hydrogen 2.883 N/A ILE 44.A N ALA 40.A O no hydrogen 2.779 N/A SER 45.A N ILE 41.A O no hydrogen 3.333 N/A SER 45.A OG ILE 41.A O no hydrogen 3.451 N/A LEU 46.A N ARG 42.A O no hydrogen 3.299 N/A LEU 47.A N GLU 43.A O no hydrogen 3.352 N/A LYS 48.A N ILE 44.A O no hydrogen 3.122 N/A LYS 48.A NZ LEU 59.A O no hydrogen 3.196 N/A GLU 49.A N LEU 46.A O no hydrogen 3.125 N/A LEU 50.A N LEU 47.A O no hydrogen 2.957 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 2.951 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.069 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 2.988 N/A ILE 55.A N HIS 52.A O no hydrogen 3.005 N/A VAL 56.A N LEU 135.A O no hydrogen 2.894 N/A LYS 57.A N GLU 73.A OE2 no hydrogen 2.611 N/A LEU 59.A N VAL 71.A O no hydrogen 2.642 N/A ASP 60.A N VAL 71.A O no hydrogen 3.216 N/A ILE 62.A N TYR 69.A O no hydrogen 2.789 N/A THR 64.A N LYS 67.A O no hydrogen 3.025 N/A TYR 69.A N ILE 62.A O no hydrogen 2.767 N/A LEU 70.A N LYS 33.A O no hydrogen 2.857 N/A VAL 71.A N ASP 60.A O no hydrogen 2.824 N/A PHE 72.A N ALA 31.A O no hydrogen 2.877 N/A GLU 73.A N LYS 57.A O no hydrogen 3.009 N/A GLN 77.A N ILE 127.A O no hydrogen 3.326 N/A LEU 79.A N LEU 125.A O no hydrogen 2.774 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.710 N/A PHE 82.A N ASP 78.A O no hydrogen 3.152 N/A MET 83.A N LEU 79.A O no hydrogen 2.762 N/A ASP 84.A N LYS 80.A O no hydrogen 2.994 N/A ALA 85.A N LYS 81.A O no hydrogen 2.845 N/A SER 86.A N PHE 82.A O no hydrogen 2.844 N/A SER 86.A N MET 83.A O no hydrogen 3.022 N/A SER 86.A OG PHE 82.A O no hydrogen 2.934 N/A ALA 87.A N ASP 84.A O no hydrogen 3.251 N/A GLY 90.A N SER 86.A O no hydrogen 2.487 N/A LEU 95.A N PRO 92.A O no hydrogen 2.921 N/A ILE 96.A N PRO 92.A O no hydrogen 3.020 N/A LYS 97.A N LEU 93.A O no hydrogen 2.766 N/A LYS 97.A NZ PHE 269.A O no hydrogen 3.037 N/A LYS 97.A NZ ASP 272.A OD1 no hydrogen 2.684 N/A SER 98.A N PRO 94.A O no hydrogen 2.940 N/A TYR 99.A N LEU 95.A O no hydrogen 2.846 N/A LEU 100.A N ILE 96.A O no hydrogen 2.955 N/A PHE 101.A N LYS 97.A O no hydrogen 2.984 N/A GLN 102.A N SER 98.A O no hydrogen 2.988 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.483 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 2.918 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.911 N/A LEU 103.A N TYR 99.A O no hydrogen 2.951 N/A LEU 104.A N LEU 100.A O no hydrogen 2.897 N/A GLN 105.A N PHE 101.A O no hydrogen 3.072 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.641 N/A GLY 106.A N GLN 102.A O no hydrogen 2.918 N/A LEU 107.A N LEU 103.A O no hydrogen 2.804 N/A ALA 108.A N LEU 104.A O no hydrogen 2.714 N/A PHE 109.A N GLN 105.A O no hydrogen 2.996 N/A CYS 110.A N GLY 106.A O no hydrogen 2.996 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.422 N/A HIS 111.A N LEU 107.A O no hydrogen 2.795 N/A HIS 111.A NE2 ASP 169.A OD2 no hydrogen 2.923 N/A SER 112.A N ALA 108.A O no hydrogen 2.960 N/A SER 112.A OG ALA 108.A O no hydrogen 3.366 N/A SER 112.A OG PHE 109.A O no hydrogen 2.727 N/A HIS 113.A N PHE 109.A O no hydrogen 3.198 N/A HIS 113.A N CYS 110.A O no hydrogen 2.988 N/A ARG 114.A N HIS 111.A O no hydrogen 3.127 N/A VAL 115.A N CYS 110.A O no hydrogen 2.736 N/A HIS 117.A N ASP 169.A OD2 no hydrogen 2.840 N/A ARG 118.A N ASP 169.A OD1 no hydrogen 2.797 N/A LYS 121.A N ASN 124.A OD1 no hydrogen 3.220 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 3.245 N/A ASN 124.A N LYS 121.A O no hydrogen 2.870 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.991 N/A ASN 124.A ND2 ASP 137.A OD2 no hydrogen 3.189 N/A LEU 125.A N PRO 122.A O no hydrogen 3.191 N/A LEU 126.A N LYS 134.A O no hydrogen 2.890 N/A ILE 127.A N GLN 77.A O no hydrogen 2.824 N/A ASN 128.A N ALA 132.A O no hydrogen 3.299 N/A THR 129.A N HIS 76.A ND1 no hydrogen 3.184 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 2.947 N/A GLY 131.A N ASN 128.A O no hydrogen 3.337 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 2.985 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.204 N/A LYS 134.A N LEU 126.A O no hydrogen 2.706 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.229 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.097 N/A LEU 135.A N ASN 54.A O no hydrogen 2.859 N/A ALA 136.A N ASN 124.A O no hydrogen 2.974 N/A LEU 140.A N PHE 138.A O no hydrogen 2.330 N/A ARG 142.A NH1 GLU 43.A OE1 no hydrogen 2.555 N/A TYR 152.A OH GLU 179.A OE1 no hydrogen 2.633 N/A ARG 153.A N LEU 150.A O no hydrogen 3.134 N/A ARG 153.A NH1 ASP 119.A OD1 no hydrogen 3.059 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.653 N/A ILE 157.A N ALA 154.A O no hydrogen 3.086 N/A LEU 158.A N ALA 154.A O no hydrogen 3.285 N/A LEU 159.A N PRO 155.A O no hydrogen 2.842 N/A GLY 160.A N ILE 157.A O no hydrogen 3.091 N/A CYS 161.A N GLU 156.A O no hydrogen 2.969 N/A CYS 161.A SG TYR 163.A O no hydrogen 3.459 N/A ALA 167.A N SER 165.A OG no hydrogen 3.205 N/A VAL 168.A N SER 165.A O no hydrogen 2.974 N/A ASP 169.A N THR 166.A O no hydrogen 3.098 N/A TRP 171.A N ALA 167.A O no hydrogen 3.148 N/A SER 172.A N VAL 168.A O no hydrogen 3.162 N/A SER 172.A OG TYR 152.A O no hydrogen 2.625 N/A SER 172.A OG VAL 168.A O no hydrogen 3.250 N/A LEU 173.A N ASP 169.A O no hydrogen 2.987 N/A GLY 174.A N ILE 170.A O no hydrogen 2.848 N/A CYS 175.A N TRP 171.A O no hydrogen 2.955 N/A CYS 175.A SG TRP 171.A O no hydrogen 3.527 N/A ILE 176.A N SER 172.A O no hydrogen 3.010 N/A PHE 177.A N LEU 173.A O no hydrogen 2.831 N/A ALA 178.A N GLY 174.A O no hydrogen 3.058 N/A GLU 179.A N CYS 175.A O no hydrogen 3.117 N/A MET 180.A N ILE 176.A O no hydrogen 2.898 N/A VAL 181.A N PHE 177.A O no hydrogen 3.112 N/A THR 182.A N ALA 178.A O no hydrogen 2.868 N/A THR 182.A OG1 ALA 178.A O no hydrogen 3.204 N/A ARG 183.A N GLU 179.A O no hydrogen 2.791 N/A ARG 183.A NE ALA 87.A O no hydrogen 3.383 N/A ARG 183.A NH2 ALA 87.A O no hydrogen 3.233 N/A ARG 184.A N THR 182.A OG1 no hydrogen 3.216 N/A ARG 184.A NH1 ARG 183.A O no hydrogen 3.372 N/A GLY 189.A N PHE 187.A O no hydrogen 2.991 N/A GLY 189.A N GLN 195.A OE1 no hydrogen 2.898 N/A ASP 190.A N ASP 194.A OD2 no hydrogen 2.983 N/A ASP 194.A N SER 191.A OG no hydrogen 3.009 N/A GLN 195.A N SER 191.A O no hydrogen 2.785 N/A GLN 195.A NE2 TRP 151.A O no hydrogen 3.193 N/A GLN 195.A NE2 PHE 187.A O no hydrogen 3.034 N/A LEU 196.A N GLU 192.A O no hydrogen 2.931 N/A PHE 197.A N ILE 193.A O no hydrogen 2.838 N/A ARG 198.A N ASP 194.A O no hydrogen 2.924 N/A ARG 198.A NE ASP 194.A OD2 no hydrogen 2.953 N/A ILE 199.A N GLN 195.A O no hydrogen 3.152 N/A PHE 200.A N LEU 196.A O no hydrogen 3.002 N/A ARG 201.A N PHE 197.A O no hydrogen 2.777 N/A THR 202.A N ARG 198.A O no hydrogen 3.254 N/A THR 202.A N ILE 199.A O no hydrogen 3.116 N/A THR 202.A OG1 ARG 198.A O no hydrogen 3.367 N/A LEU 203.A N ILE 199.A O no hydrogen 2.814 N/A GLY 204.A N PHE 200.A O no hydrogen 2.727 N/A THR 205.A N TRP 227.A O no hydrogen 2.882 N/A THR 205.A OG1 PRO 225.A O no hydrogen 2.663 N/A VAL 209.A N ASP 207.A OD1 no hydrogen 3.081 N/A VAL 210.A N ASP 207.A OD1 no hydrogen 3.130 N/A TRP 211.A N ASP 207.A O no hydrogen 2.816 N/A GLY 213.A N GLU 208.A OE1 no hydrogen 2.713 N/A GLY 213.A N GLU 208.A OE2 no hydrogen 3.303 N/A VAL 214.A N TRP 211.A O no hydrogen 2.935 N/A THR 215.A N GLU 208.A OE2 no hydrogen 3.154 N/A THR 215.A OG1 GLU 208.A OE2 no hydrogen 2.761 N/A SER 216.A N GLY 213.A O no hydrogen 2.935 N/A MET 217.A N VAL 214.A O no hydrogen 3.036 N/A ASP 219.A N LEU 159.A O no hydrogen 2.903 N/A TYR 220.A N MET 217.A O no hydrogen 3.023 N/A LYS 221.A NZ ASP 219.A O no hydrogen 3.490 N/A PHE 224.A N LYS 221.A O no hydrogen 2.988 N/A LYS 226.A NZ PRO 222.A O no hydrogen 3.057 N/A LYS 226.A NZ PHE 224.A O no hydrogen 2.589 N/A TRP 227.A N THR 205.A OG1 no hydrogen 2.807 N/A ARG 229.A NH1 LEU 203.A O no hydrogen 3.041 N/A GLN 230.A N THR 202.A O no hydrogen 2.928 N/A SER 233.A N ASP 231.A OD1 no hydrogen 2.448 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.729 N/A LYS 234.A N ASP 231.A O no hydrogen 2.971 N/A VAL 235.A N PHE 232.A O no hydrogen 3.033 N/A VAL 236.A N PHE 232.A O no hydrogen 3.191 N/A LEU 239.A N VAL 236.A O no hydrogen 2.922 N/A GLY 243.A N ASP 240.A OD1 no hydrogen 2.886 N/A ARG 244.A N ASP 240.A O no hydrogen 2.900 N/A ARG 244.A NE GLU 241.A OE2 no hydrogen 3.229 N/A ARG 244.A NH1 PRO 237.A O no hydrogen 3.291 N/A ARG 244.A NH2 GLU 241.A OE2 no hydrogen 3.341 N/A SER 245.A N GLU 241.A O no hydrogen 2.860 N/A SER 245.A OG ASP 242.A O no hydrogen 3.202 N/A SER 245.A OG HIS 267.A NE2 no hydrogen 2.739 N/A LEU 246.A N ASP 242.A O no hydrogen 3.016 N/A LEU 247.A N GLY 243.A O no hydrogen 2.873 N/A SER 248.A N ARG 244.A O no hydrogen 2.853 N/A SER 248.A OG ARG 244.A O no hydrogen 3.497 N/A SER 248.A OG SER 245.A O no hydrogen 2.656 N/A GLN 249.A N SER 245.A O no hydrogen 3.218 N/A MET 250.A N LEU 246.A O no hydrogen 3.059 N/A LEU 251.A N LEU 247.A O no hydrogen 3.012 N/A LEU 251.A N SER 248.A O no hydrogen 3.299 N/A TYR 253.A OH GLY 204.A O no hydrogen 2.566 N/A ASN 256.A N ASP 254.A OD1 no hydrogen 2.873 N/A LYS 257.A N ASP 254.A O no hydrogen 2.695 N/A LYS 257.A NZ VAL 210.A O no hydrogen 3.376 N/A LYS 257.A NZ ASP 254.A OD2 no hydrogen 3.089 N/A ARG 258.A N ASP 254.A O no hydrogen 2.985 N/A ARG 258.A NE HIS 252.A O no hydrogen 2.931 N/A ARG 258.A NH1 GLU 156.A OE1 no hydrogen 3.472 N/A ARG 258.A NH1 GLU 156.A OE2 no hydrogen 2.807 N/A ARG 258.A NH1 ALA 167.A O no hydrogen 2.983 N/A ARG 258.A NH2 GLU 156.A OE1 no hydrogen 2.965 N/A ARG 258.A NH2 HIS 252.A O no hydrogen 3.178 N/A ARG 258.A NH2 TYR 253.A O no hydrogen 2.906 N/A ILE 259.A N GLN 249.A O no hydrogen 3.053 N/A ALA 263.A N SER 260.A OG no hydrogen 2.965 N/A ALA 264.A N SER 260.A O no hydrogen 2.865 N/A LEU 265.A N ALA 261.A O no hydrogen 3.070 N/A LEU 265.A N LYS 262.A O no hydrogen 3.250 N/A ALA 266.A N ALA 263.A O no hydrogen 3.036 N/A HIS 267.A N ALA 264.A O no hydrogen 2.991 N/A HIS 267.A NE2 SER 245.A OG no hydrogen 2.739 N/A PHE 269.A N HIS 267.A ND1 no hydrogen 3.045 N/A PHE 270.A N HIS 267.A O no hydrogen 3.048 N/A GLN 271.A N PRO 268.A O no hydrogen 3.100 N/A VAL 273.A N PHE 270.A O no hydrogen 3.192 N/A