Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1m61_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N ASP 119.A O no hydrogen 2.772 N/A ALA 8.A N ASP 6.A OD1 no hydrogen 2.704 N/A ALA 9.A N ASP 6.A O no hydrogen 2.799 N/A LEU 11.A N ALA 8.A O no hydrogen 3.245 N/A TYR 15.A N LEU 39.A O no hydrogen 2.748 N/A TYR 15.A OH CYS 105.A O no hydrogen 2.486 N/A SER 17.A N GLN 114.A O no hydrogen 2.878 N/A ILE 18.A N GLY 16.A O no hydrogen 2.862 N/A SER 19.A N GLU 22.A OE2 no hydrogen 3.373 N/A SER 19.A OG GLU 22.A OE2 no hydrogen 3.532 N/A GLU 22.A N SER 19.A OG no hydrogen 3.115 N/A ALA 23.A N SER 19.A O no hydrogen 3.024 N/A GLU 24.A N ARG 20.A O no hydrogen 2.530 N/A GLU 25.A N ALA 21.A O no hydrogen 2.777 N/A HIS 26.A N GLU 22.A O no hydrogen 2.982 N/A HIS 26.A ND1 GLU 22.A O no hydrogen 2.686 N/A LEU 27.A N ALA 23.A O no hydrogen 3.255 N/A LYS 28.A N GLU 24.A O no hydrogen 3.190 N/A LEU 29.A N GLU 25.A O no hydrogen 2.835 N/A ALA 30.A N LEU 27.A O no hydrogen 3.303 N/A GLY 35.A N VAL 54.A O no hydrogen 2.884 N/A LEU 36.A N ALA 33.A O no hydrogen 3.373 N/A LEU 38.A N SER 52.A O no hydrogen 2.966 N/A LEU 39.A N PHE 13.A O no hydrogen 2.725 N/A ARG 40.A N VAL 50.A O no hydrogen 3.187 N/A ARG 40.A NE SER 52.A OG no hydrogen 3.115 N/A ARG 40.A NH2 HIS 61.A ND1 no hydrogen 3.534 N/A GLN 41.A N GLY 16.A O no hydrogen 3.007 N/A GLN 41.A NE2 ASP 6.A OD2 no hydrogen 2.838 N/A GLN 41.A NE2 ASP 119.A OD2 no hydrogen 3.523 N/A CYS 42.A N GLY 48.A O no hydrogen 2.846 N/A SER 45.A OG GLU 65.A OE1 no hydrogen 2.965 N/A GLY 48.A N SER 45.A O no hydrogen 2.621 N/A TYR 49.A N ILE 64.A O no hydrogen 3.018 N/A TYR 49.A OH ASP 6.A OD1 no hydrogen 2.456 N/A VAL 50.A N ARG 40.A O no hydrogen 2.845 N/A LEU 51.A N PHE 62.A O no hydrogen 2.762 N/A SER 52.A N LEU 38.A O no hydrogen 3.166 N/A SER 52.A OG HIS 61.A ND1 no hydrogen 2.579 N/A LEU 53.A N HIS 60.A O no hydrogen 2.838 N/A VAL 54.A N LEU 36.A O no hydrogen 3.045 N/A HIS 55.A N ARG 58.A O no hydrogen 3.065 N/A ASP 56.A N ASP 34.A OD1 no hydrogen 2.571 N/A ARG 58.A N HIS 55.A O no hydrogen 3.157 N/A HIS 60.A N LEU 53.A O no hydrogen 2.785 N/A HIS 61.A ND1 SER 52.A OG no hydrogen 2.579 N/A HIS 61.A NE2 GLU 24.A OE1 no hydrogen 3.255 N/A PHE 62.A N LEU 51.A O no hydrogen 2.785 N/A ILE 64.A N TYR 49.A O no hydrogen 2.483 N/A GLU 65.A N ALA 73.A O no hydrogen 2.655 N/A ARG 66.A NE TYR 72.A OH no hydrogen 2.983 N/A GLN 67.A N THR 71.A O no hydrogen 2.873 N/A GLN 67.A NE2 GLU 65.A O no hydrogen 3.314 N/A GLY 70.A N GLN 67.A O no hydrogen 2.895 N/A THR 71.A N ASN 69.A OD1 no hydrogen 3.294 N/A THR 71.A OG1 ASN 69.A OD1 no hydrogen 2.801 N/A TYR 72.A N HIS 80.A O no hydrogen 2.788 N/A ALA 73.A N GLU 65.A O no hydrogen 3.016 N/A GLY 77.A N ILE 74.A O no hydrogen 2.675 N/A HIS 80.A N TYR 72.A O no hydrogen 3.078 N/A GLU 85.A N GLU 85.A OE2 no hydrogen 2.600 N/A LEU 86.A N GLY 82.A O no hydrogen 2.989 N/A CYS 87.A N PRO 83.A O no hydrogen 2.800 N/A CYS 87.A SG PRO 83.A O no hydrogen 3.417 N/A GLU 88.A N ALA 84.A O no hydrogen 2.748 N/A PHE 89.A N GLU 85.A O no hydrogen 2.771 N/A TYR 90.A N LEU 86.A O no hydrogen 3.079 N/A SER 91.A N CYS 87.A O no hydrogen 2.988 N/A SER 91.A OG CYS 87.A O no hydrogen 3.207 N/A ARG 92.A N PHE 89.A O no hydrogen 3.026 N/A ASP 93.A N TYR 90.A O no hydrogen 3.278 N/A ASP 95.A N ASP 93.A OD2 no hydrogen 2.946 N/A LEU 97.A N PRO 94.A O no hydrogen 2.563 N/A CYS 99.A SG ASN 100.A O no hydrogen 3.410 N/A ASN 100.A ND2 SER 91.A O no hydrogen 3.618 N/A ASN 100.A ND2 LEU 101.A O no hydrogen 3.598 N/A LEU 101.A N TYR 90.A O no hydrogen 3.153 N/A ARG 102.A N GLY 35.A O no hydrogen 3.051 N/A ARG 102.A NE ASN 100.A OD1 no hydrogen 3.279 N/A ARG 102.A NH2 ASN 100.A OD1 no hydrogen 3.469 N/A CYS 105.A N PHE 37.A O no hydrogen 2.695 N/A CYS 105.A SG TYR 15.A OH no hydrogen 3.186 N/A CYS 105.A SG HIS 26.A O no hydrogen 3.656 N/A ARG 107.A N PRO 12.A O no hydrogen 3.005 N/A ARG 107.A NE LEU 11.A O no hydrogen 3.414 N/A ARG 107.A NH2 LEU 11.A O no hydrogen 3.457 N/A LEU 111.A N PRO 108.A O no hydrogen 3.076 N/A GLN 114.A N TYR 15.A O no hydrogen 3.274 N/A GLY 116.A N ASP 119.A OD2 no hydrogen 3.211 N/A CYS 120.A N VAL 117.A O no hydrogen 2.741 N/A CYS 120.A SG GLY 116.A O no hydrogen 3.374 N/A LEU 121.A N VAL 117.A O no hydrogen 3.049 N/A ARG 122.A N PHE 118.A O no hydrogen 3.157 N/A ARG 122.A NH2 PRO 5.A O no hydrogen 2.739 N/A ARG 122.A NH2 ASP 119.A OD1 no hydrogen 2.998 N/A ASP 123.A N ASP 119.A O no hydrogen 3.430 N/A ALA 124.A N CYS 120.A O no hydrogen 2.790 N/A MET 125.A N LEU 121.A O no hydrogen 2.797 N/A VAL 126.A N ARG 122.A O no hydrogen 3.117 N/A ARG 127.A N ASP 123.A O no hydrogen 2.611 N/A ARG 127.A NE ASP 123.A OD2 no hydrogen 2.900 N/A ARG 127.A NH1 GLU 142.A OE2 no hydrogen 2.759 N/A ARG 127.A NH2 ASP 123.A OD2 no hydrogen 3.311 N/A ARG 127.A NH2 GLU 142.A OE2 no hydrogen 2.641 N/A ASP 128.A N ALA 124.A O no hydrogen 2.810 N/A TYR 129.A N MET 125.A O no hydrogen 3.092 N/A VAL 130.A N VAL 126.A O no hydrogen 3.161 N/A ARG 131.A N ARG 127.A O no hydrogen 3.071 N/A GLN 132.A N ASP 128.A O no hydrogen 2.843 N/A THR 133.A N TYR 129.A O no hydrogen 2.696 N/A THR 133.A OG1 TYR 129.A O no hydrogen 2.527 N/A TRP 134.A N VAL 130.A O no hydrogen 2.669 N/A LEU 141.A N GLU 137.A O no hydrogen 3.195 N/A GLU 142.A N GLY 138.A O no hydrogen 3.209 N/A GLN 143.A N GLU 139.A O no hydrogen 3.175 N/A GLN 143.A NE2 GLU 139.A OE2 no hydrogen 3.238 N/A ALA 144.A N ALA 140.A O no hydrogen 3.333 N/A ILE 145.A N LEU 141.A O no hydrogen 3.081 N/A ILE 146.A N GLU 142.A O no hydrogen 3.481 N/A SER 147.A N GLN 143.A O no hydrogen 2.827 N/A GLN 148.A N ALA 144.A O no hydrogen 2.572 N/A ALA 149.A N ILE 145.A O no hydrogen 2.639 N/A VAL 152.A N GLN 148.A O no hydrogen 2.598 N/A GLU 153.A N ALA 149.A O no hydrogen 2.727 N/A LYS 154.A N PRO 150.A O no hydrogen 3.283 N/A LEU 155.A N GLN 151.A O no hydrogen 2.710 N/A ILE 156.A N VAL 152.A O no hydrogen 2.563 N/A ALA 157.A N GLU 153.A O no hydrogen 2.873 N/A THR 158.A N LEU 155.A O no hydrogen 3.195 N/A THR 158.A OG1 LYS 154.A O no hydrogen 2.957 N/A THR 159.A N LEU 155.A O no hydrogen 2.771 N/A THR 159.A OG1 LEU 155.A O no hydrogen 2.662 N/A GLU 162.A N GLU 162.A OE2 no hydrogen 3.037 N/A ARG 163.A N ALA 160.A O no hydrogen 3.339 N/A MET 164.A N HIS 161.A O no hydrogen 2.955 N/A TYR 167.A N MET 164.A O no hydrogen 2.887 N/A HIS 168.A N LEU 192.A O no hydrogen 2.794 N/A HIS 168.A NE2 CYS 257.A O no hydrogen 2.602 N/A THR 172.A N GLU 175.A OE1 no hydrogen 2.927 N/A ALA 176.A N THR 172.A O no hydrogen 2.711 N/A GLU 177.A N ARG 173.A O no hydrogen 3.026 N/A ARG 178.A N GLU 174.A O no hydrogen 3.223 N/A ARG 178.A NE GLU 174.A OE1 no hydrogen 3.478 N/A ARG 178.A NH2 GLU 174.A OE1 no hydrogen 3.056 N/A LYS 179.A N GLU 175.A O no hydrogen 3.282 N/A LYS 179.A NZ PRO 258.A O no hydrogen 3.560 N/A LEU 180.A N ALA 176.A O no hydrogen 3.130 N/A TYR 181.A N GLU 177.A O no hydrogen 2.861 N/A SER 182.A N ARG 178.A O no hydrogen 3.011 N/A SER 182.A OG ARG 178.A O no hydrogen 2.918 N/A GLY 183.A N TYR 181.A O no hydrogen 3.025 N/A GLY 188.A N ILE 206.A O no hydrogen 2.865 N/A LYS 189.A N THR 186.A O no hydrogen 2.903 N/A LYS 189.A NZ THR 186.A OG1 no hydrogen 2.730 N/A PHE 190.A N GLU 255.A O no hydrogen 3.042 N/A LEU 191.A N SER 204.A O no hydrogen 2.961 N/A LEU 192.A N TRP 166.A O no hydrogen 2.588 N/A ARG 193.A N ALA 202.A O no hydrogen 3.024 N/A ARG 193.A NH2 HIS 213.A ND1 no hydrogen 2.907 N/A ARG 195.A N THR 200.A O no hydrogen 3.036 N/A ARG 195.A NH1 THR 200.A OG1 no hydrogen 3.283 N/A THR 200.A OG1 GLU 197.A O no hydrogen 2.845 N/A TYR 201.A N ILE 216.A O no hydrogen 2.697 N/A ALA 202.A N ARG 193.A O no hydrogen 2.678 N/A LEU 203.A N TYR 214.A O no hydrogen 2.692 N/A SER 204.A N LEU 191.A O no hydrogen 2.993 N/A SER 204.A OG HIS 213.A ND1 no hydrogen 2.577 N/A LEU 205.A N TYR 212.A O no hydrogen 3.044 N/A ILE 206.A N LYS 189.A O no hydrogen 2.821 N/A TYR 207.A N THR 210.A O no hydrogen 2.892 N/A GLY 208.A N ASP 187.A OD2 no hydrogen 2.752 N/A THR 210.A N TYR 207.A O no hydrogen 3.198 N/A THR 210.A OG1 GLY 208.A O no hydrogen 2.639 N/A VAL 211.A N TYR 181.A OH no hydrogen 3.022 N/A TYR 212.A N LEU 205.A O no hydrogen 2.927 N/A HIS 213.A ND1 SER 204.A OG no hydrogen 2.577 N/A HIS 213.A NE2 GLU 177.A OE1 no hydrogen 3.119 N/A TYR 214.A N LEU 203.A O no hydrogen 2.660 N/A ILE 216.A N TYR 201.A O no hydrogen 2.736 N/A SER 217.A N CYS 225.A O no hydrogen 2.843 N/A GLN 218.A N GLY 199.A O no hydrogen 2.707 N/A GLN 218.A NE2 GLY 222.A O no hydrogen 3.313 N/A ASP 219.A N LYS 223.A O no hydrogen 2.903 N/A GLY 222.A N ASP 219.A O no hydrogen 2.640 N/A LYS 223.A N ASP 219.A OD1 no hydrogen 3.079 N/A LYS 223.A NZ ARG 66.A O no hydrogen 3.091 N/A LYS 223.A NZ ASP 233.A OD2 no hydrogen 2.536 N/A TYR 224.A N PHE 232.A O no hydrogen 2.796 N/A CYS 225.A N SER 217.A O no hydrogen 3.016 N/A CYS 225.A SG ILE 226.A O no hydrogen 3.240 N/A GLY 229.A N ILE 226.A O no hydrogen 2.882 N/A THR 230.A OG1 ASP 247.A OD2 no hydrogen 2.962 N/A LYS 231.A NZ ASP 219.A OD2 no hydrogen 3.157 N/A PHE 232.A N TYR 224.A O no hydrogen 2.834 N/A THR 234.A N GLN 237.A OE1 no hydrogen 2.942 N/A THR 234.A OG1 ILE 156.A O no hydrogen 3.056 N/A GLN 237.A N THR 234.A OG1 no hydrogen 3.301 N/A LEU 238.A N THR 234.A O no hydrogen 2.952 N/A VAL 239.A N LEU 235.A O no hydrogen 2.601 N/A GLU 240.A N TRP 236.A O no hydrogen 2.903 N/A TYR 241.A N GLN 237.A O no hydrogen 2.952 N/A TYR 241.A N LEU 238.A O no hydrogen 3.249 N/A TYR 241.A OH ASP 247.A OD1 no hydrogen 2.836 N/A LEU 242.A N LEU 238.A O no hydrogen 2.883 N/A LYS 243.A NZ GLU 240.A OE1 no hydrogen 3.339 N/A LYS 243.A NZ GLU 240.A OE2 no hydrogen 3.516 N/A LEU 244.A N TYR 241.A O no hydrogen 2.768 N/A LYS 245.A N TYR 241.A O no hydrogen 2.880 N/A LYS 245.A NZ TYR 241.A OH no hydrogen 2.994 N/A LEU 249.A N ALA 246.A O no hydrogen 2.290 N/A ILE 250.A N TYR 214.A OH no hydrogen 3.004 N/A CYS 252.A SG LEU 242.A O no hydrogen 3.696 N/A LEU 253.A N LEU 242.A O no hydrogen 3.199 N/A LYS 254.A N GLY 188.A O no hydrogen 3.088 N/A CYS 257.A N PHE 190.A O no hydrogen 2.847 N/A CYS 257.A SG LYS 179.A O no hydrogen 4.026 N/A