Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q2j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N GLU 77.A OE1 no hydrogen 2.899 N/A SER 4.A OG GLU 77.A OE1 no hydrogen 3.557 N/A SER 4.A OG GLU 77.A OE2 no hydrogen 2.704 N/A LEU 7.A N SER 4.A OG no hydrogen 3.155 N/A LYS 8.A N SER 4.A O no hydrogen 2.954 N/A LYS 9.A N PRO 5.A O no hydrogen 3.056 N/A LEU 10.A N GLU 6.A O no hydrogen 3.154 N/A ILE 11.A N LEU 7.A O no hydrogen 3.145 N/A ILE 11.A N LYS 8.A O no hydrogen 3.283 N/A TYR 14.A N ILE 11.A O no hydrogen 3.210 N/A TYR 14.A OH GLU 36.A OE2 no hydrogen 2.859 N/A ARG 15.A N VAL 32.A O no hydrogen 2.752 N/A VAL 17.A N LYS 30.A O no hydrogen 2.736 N/A LYS 18.A NZ VAL 28.A O no hydrogen 3.309 N/A ASP 19.A N VAL 28.A O no hydrogen 2.933 N/A THR 20.A OG1 THR 20.A O no hydrogen 2.587 N/A SER 24.A N GLU 21.A O no hydrogen 3.385 N/A ALA 26.A N MET 23.A O no hydrogen 2.811 N/A LYS 27.A N MET 42.A O no hydrogen 2.796 N/A TYR 29.A N LEU 40.A O no hydrogen 2.736 N/A LYS 30.A N VAL 17.A O no hydrogen 2.840 N/A LYS 30.A NZ TYR 39.A OH no hydrogen 3.125 N/A LEU 31.A N LEU 38.A O no hydrogen 2.766 N/A VAL 32.A N ARG 15.A O no hydrogen 2.857 N/A GLY 33.A N GLU 36.A O no hydrogen 2.858 N/A ASN 37.A ND2 GLU 89.A OE1 no hydrogen 3.494 N/A ASN 37.A ND2 GLU 89.A OE2 no hydrogen 3.104 N/A LEU 38.A N LEU 31.A O no hydrogen 2.946 N/A TYR 39.A N MET 87.A O no hydrogen 2.963 N/A TYR 39.A OH GLU 89.A OE2 no hydrogen 2.766 N/A LEU 40.A N TYR 29.A O no hydrogen 2.944 N/A LYS 41.A N LEU 85.A O no hydrogen 2.885 N/A LYS 41.A NZ GLU 57.A OE1 no hydrogen 2.879 N/A LYS 41.A NZ GLU 57.A OE2 no hydrogen 3.452 N/A MET 42.A N LYS 27.A O no hydrogen 2.775 N/A THR 43.A N SER 83.A O no hydrogen 3.073 N/A ARG 46.A N ASP 44.A OD2 no hydrogen 2.857 N/A ARG 46.A NE ASP 44.A OD2 no hydrogen 2.872 N/A ARG 46.A NH2 ASP 44.A OD1 no hydrogen 2.999 N/A TYR 47.A N ASP 44.A O no hydrogen 3.035 N/A LYS 48.A N SER 45.A O no hydrogen 3.211 N/A GLY 49.A N ASP 53.A OD2 no hydrogen 2.913 N/A THR 50.A N TYR 47.A O no hydrogen 2.917 N/A THR 50.A OG1 TYR 47.A O no hydrogen 2.756 N/A THR 51.A N GLU 139.A OE2 no hydrogen 2.483 N/A THR 51.A OG1 GLU 139.A OE1 no hydrogen 2.762 N/A THR 51.A OG1 GLU 139.A OE2 no hydrogen 3.463 N/A TYR 52.A N THR 50.A OG1 no hydrogen 3.034 N/A TYR 52.A OH PHE 261.A O no hydrogen 2.381 N/A ASP 53.A N THR 50.A O no hydrogen 3.049 N/A VAL 54.A N THR 43.A OG1 no hydrogen 3.201 N/A GLU 55.A N ASP 53.A OD1 no hydrogen 2.765 N/A ARG 56.A N ASP 53.A O no hydrogen 2.800 N/A ARG 56.A NH1 GLY 49.A O no hydrogen 3.509 N/A GLU 57.A N ASP 53.A O no hydrogen 3.369 N/A LYS 58.A N VAL 54.A O no hydrogen 2.767 N/A LYS 58.A NZ ASP 59.A OD1 no hydrogen 2.628 N/A ASP 59.A N GLU 55.A O no hydrogen 3.024 N/A MET 60.A N ARG 56.A O no hydrogen 3.144 N/A MET 61.A N GLU 57.A O no hydrogen 2.935 N/A LEU 62.A N LYS 58.A O no hydrogen 3.039 N/A TRP 63.A N ASP 59.A O no hydrogen 3.080 N/A TRP 63.A NE1 ASP 126.A OD1 no hydrogen 2.854 N/A LEU 64.A N MET 60.A O no hydrogen 2.822 N/A GLU 65.A N LEU 62.A O no hydrogen 3.282 N/A LYS 67.A N LEU 64.A O no hydrogen 2.796 N/A LEU 68.A N LEU 64.A O no hydrogen 3.034 N/A LYS 72.A N SER 88.A OG no hydrogen 2.796 N/A LEU 74.A N LEU 86.A O no hydrogen 2.858 N/A HIS 75.A N LEU 86.A O no hydrogen 3.246 N/A HIS 75.A NE2 GLU 77.A OE2 no hydrogen 2.844 N/A GLU 77.A N ASN 84.A O no hydrogen 3.023 N/A ARG 78.A NH1 GLY 81.A O no hydrogen 3.217 N/A HIS 79.A N TRP 82.A O no hydrogen 2.775 N/A TRP 82.A N HIS 79.A O no hydrogen 2.749 N/A SER 83.A N THR 43.A O no hydrogen 2.911 N/A SER 83.A OG ASP 53.A OD1 no hydrogen 3.095 N/A ASN 84.A N GLU 77.A O no hydrogen 2.805 N/A ASN 84.A ND2 ARG 2.A O no hydrogen 2.940 N/A ASN 84.A ND2 GLU 77.A OE1 no hydrogen 2.991 N/A LEU 85.A N LYS 41.A O no hydrogen 2.945 N/A LEU 86.A N HIS 75.A O no hydrogen 2.826 N/A MET 87.A N TYR 39.A O no hydrogen 2.858 N/A SER 88.A N LYS 72.A O no hydrogen 3.031 N/A VAL 93.A N VAL 195.A O no hydrogen 2.940 N/A CYS 95.A N ILE 193.A O no hydrogen 2.903 N/A SER 96.A N ASP 190.A O no hydrogen 2.880 N/A GLU 97.A N LEU 94.A O no hydrogen 2.938 N/A GLU 98.A N LEU 94.A O no hydrogen 2.916 N/A TYR 99.A N CYS 95.A O no hydrogen 3.115 N/A GLU 100.A N GLU 97.A O no hydrogen 3.122 N/A LYS 107.A NZ GLU 110.A OE1 no hydrogen 3.216 N/A LYS 107.A NZ GLU 110.A OE2 no hydrogen 3.392 N/A ILE 109.A N PRO 105.A O no hydrogen 3.195 N/A GLU 110.A N GLU 106.A O no hydrogen 3.031 N/A LEU 111.A N LYS 107.A O no hydrogen 2.764 N/A TYR 112.A N ILE 108.A O no hydrogen 2.631 N/A ALA 113.A N ILE 109.A O no hydrogen 2.835 N/A GLU 114.A N GLU 110.A O no hydrogen 2.985 N/A CYS 115.A N LEU 111.A O no hydrogen 3.000 N/A CYS 115.A SG LEU 111.A O no hydrogen 3.421 N/A ILE 116.A N TYR 112.A O no hydrogen 3.086 N/A ARG 117.A N ALA 113.A O no hydrogen 2.991 N/A ARG 117.A NH1 GLU 114.A OE2 no hydrogen 2.678 N/A LEU 118.A N GLU 114.A O no hydrogen 2.784 N/A PHE 119.A N CYS 115.A O no hydrogen 2.801 N/A HIS 120.A N ILE 116.A O no hydrogen 3.052 N/A SER 121.A N LEU 118.A O no hydrogen 3.033 N/A SER 121.A OG LEU 118.A O no hydrogen 2.669 N/A ILE 122.A N PHE 119.A O no hydrogen 3.118 N/A SER 125.A N ASP 123.A OD2 no hydrogen 2.804 N/A SER 125.A OG ASP 123.A OD1 no hydrogen 3.277 N/A SER 125.A OG ASP 123.A OD2 no hydrogen 2.897 N/A CYS 127.A N ILE 124.A O no hydrogen 2.979 N/A CYS 127.A SG TYR 129.A O no hydrogen 3.604 N/A TYR 129.A OH ASP 59.A OD2 no hydrogen 2.569 N/A ASN 131.A N ARG 211.A O no hydrogen 2.735 N/A ASN 131.A ND2 ARG 208.A O no hydrogen 3.099 N/A LEU 133.A N GLU 179.A OE1 no hydrogen 3.427 N/A LEU 133.A N GLU 179.A OE2 no hydrogen 2.809 N/A SER 135.A N SER 132.A OG no hydrogen 3.390 N/A SER 135.A OG THR 130.A O no hydrogen 3.452 N/A ARG 136.A N SER 132.A O no hydrogen 2.993 N/A ARG 136.A NE GLU 139.A OE1 no hydrogen 3.313 N/A ARG 136.A NH2 TYR 216.A OH no hydrogen 3.171 N/A LEU 137.A N LEU 133.A O no hydrogen 2.819 N/A ALA 138.A N ASP 134.A O no hydrogen 2.994 N/A GLU 139.A N SER 135.A O no hydrogen 3.018 N/A LEU 140.A N ARG 136.A O no hydrogen 2.774 N/A ASP 141.A N LEU 137.A O no hydrogen 2.853 N/A TYR 142.A N ALA 138.A O no hydrogen 3.075 N/A TYR 142.A OH ARG 46.A O no hydrogen 2.757 N/A LEU 143.A N GLU 139.A O no hydrogen 2.913 N/A LEU 144.A N LEU 140.A O no hydrogen 2.948 N/A ASN 145.A N ASP 141.A O no hydrogen 3.039 N/A ASN 146.A N TYR 142.A O no hydrogen 3.088 N/A ASN 146.A ND2 TYR 142.A O no hydrogen 3.148 N/A ASP 147.A N LEU 144.A O no hydrogen 3.200 N/A LEU 148.A N LEU 143.A O no hydrogen 2.781 N/A ALA 149.A N LEU 143.A O no hydrogen 3.299 N/A ASP 150.A N LEU 260.A O no hydrogen 2.845 N/A GLU 154.A N ASP 152.A OD2 no hydrogen 3.223 N/A ASN 155.A N ASP 152.A O no hydrogen 2.800 N/A ASN 155.A ND2 ASP 152.A O no hydrogen 3.319 N/A TRP 156.A N CYS 153.A O no hydrogen 3.397 N/A GLU 157.A N CYS 153.A O no hydrogen 3.105 N/A THR 160.A N GLU 157.A O no hydrogen 3.343 N/A THR 160.A OG1 GLU 157.A O no hydrogen 2.401 N/A LYS 163.A N GLU 167.A OE1 no hydrogen 2.692 N/A ARG 166.A NH1 ASP 141.A OD1 no hydrogen 3.109 N/A ARG 166.A NH2 ASP 141.A OD1 no hydrogen 2.758 N/A ARG 166.A NH2 ASN 145.A OD1 no hydrogen 2.575 N/A GLU 167.A N ASP 164.A O no hydrogen 2.934 N/A GLU 167.A N ASP 164.A OD2 no hydrogen 3.171 N/A LEU 168.A N ASP 164.A O no hydrogen 3.374 N/A TYR 169.A N PRO 165.A O no hydrogen 3.034 N/A ASP 170.A N ARG 166.A O no hydrogen 3.030 N/A PHE 171.A N GLU 167.A O no hydrogen 3.188 N/A LEU 172.A N LEU 168.A O no hydrogen 2.976 N/A LYS 173.A N TYR 169.A O no hydrogen 2.820 N/A THR 174.A N ASP 170.A O no hydrogen 2.962 N/A THR 174.A OG1 ASP 170.A O no hydrogen 3.282 N/A GLU 175.A N PHE 171.A O no hydrogen 2.863 N/A LYS 176.A NZ ASP 134.A OD1 no hydrogen 3.136 N/A GLU 180.A N ASP 213.A OD2 no hydrogen 2.746 N/A VAL 182.A N ALA 212.A O no hydrogen 2.912 N/A SER 184.A N GLY 210.A O no hydrogen 2.798 N/A SER 184.A OG ASP 217.A OD1 no hydrogen 3.170 N/A HIS 185.A N ASP 217.A OD2 no hydrogen 2.888 N/A HIS 185.A NE2 ILE 204.A O no hydrogen 3.018 N/A GLY 186.A N ASP 217.A OD1 no hydrogen 3.321 N/A ASP 187.A N HIS 185.A ND1 no hydrogen 2.935 N/A GLY 189.A N ASN 192.A OD1 no hydrogen 3.142 N/A ASN 192.A N GLY 189.A O no hydrogen 3.100 N/A ASN 192.A ND2 ASP 187.A O no hydrogen 2.938 N/A ASN 192.A ND2 ASP 205.A OD2 no hydrogen 3.057 N/A PHE 194.A N GLY 202.A O no hydrogen 2.710 N/A VAL 195.A N VAL 93.A O no hydrogen 2.896 N/A LYS 196.A N LYS 199.A O no hydrogen 2.822 N/A LYS 199.A N LYS 196.A O no hydrogen 3.039 N/A SER 201.A N PHE 194.A O no hydrogen 2.580 N/A SER 201.A OG ASP 91.A O no hydrogen 2.895 N/A GLY 202.A N PHE 194.A O no hydrogen 3.230 N/A PHE 203.A N PRO 69.A O no hydrogen 2.939 N/A ILE 204.A N ASN 192.A O no hydrogen 3.075 N/A LEU 206.A N GLU 57.A OE2 no hydrogen 2.930 N/A ARG 208.A NE THR 51.A OG1 no hydrogen 2.821 N/A ARG 208.A NH2 THR 51.A OG1 no hydrogen 3.016 N/A SER 209.A N LEU 206.A O no hydrogen 3.049 N/A SER 209.A OG LEU 206.A O no hydrogen 2.781 N/A GLY 210.A N SER 184.A O no hydrogen 2.999 N/A ARG 211.A N TYR 129.A O no hydrogen 3.113 N/A ARG 211.A NH1 CYS 127.A O no hydrogen 2.880 N/A ARG 211.A NH1 THR 130.A OG1 no hydrogen 2.718 N/A ARG 211.A NH2 SER 125.A O no hydrogen 2.965 N/A ARG 211.A NH2 CYS 127.A O no hydrogen 3.315 N/A ALA 212.A N VAL 182.A O no hydrogen 3.082 N/A TRP 215.A N ASP 213.A OD1 no hydrogen 3.083 N/A TYR 216.A N ASP 213.A O no hydrogen 3.143 N/A TYR 216.A OH GLY 186.A O no hydrogen 2.524 N/A ALA 219.A N TRP 215.A O no hydrogen 2.685 N/A PHE 220.A N TYR 216.A O no hydrogen 3.118 N/A CYS 221.A N ASP 217.A O no hydrogen 3.042 N/A CYS 221.A SG ASP 217.A O no hydrogen 3.520 N/A VAL 222.A N ILE 218.A O no hydrogen 3.010 N/A ARG 223.A N ALA 219.A O no hydrogen 3.007 N/A ARG 223.A NH2 ASP 258.A OD2 no hydrogen 2.863 N/A SER 224.A N PHE 220.A O no hydrogen 2.854 N/A SER 224.A OG PHE 220.A O no hydrogen 3.240 N/A ILE 225.A N CYS 221.A O no hydrogen 2.905 N/A ARG 226.A N VAL 222.A O no hydrogen 3.027 N/A ARG 226.A NE GLU 232.A OE1 no hydrogen 2.873 N/A ARG 226.A NH2 GLU 232.A OE1 no hydrogen 3.406 N/A ARG 226.A NH2 GLU 232.A OE2 no hydrogen 2.774 N/A GLU 227.A N ARG 223.A O no hydrogen 2.978 N/A GLU 227.A N SER 224.A O no hydrogen 3.132 N/A ASP 228.A N SER 224.A O no hydrogen 3.038 N/A GLN 233.A N GLN 233.A OE1 no hydrogen 3.036 N/A TYR 234.A N GLU 231.A O no hydrogen 3.059 N/A VAL 235.A N GLU 232.A O no hydrogen 2.917 N/A GLU 236.A N GLU 232.A O no hydrogen 3.384 N/A LEU 237.A N GLN 233.A O no hydrogen 3.095 N/A PHE 238.A N TYR 234.A O no hydrogen 3.041 N/A PHE 239.A N VAL 235.A O no hydrogen 3.141 N/A ASP 240.A N GLU 236.A O no hydrogen 2.931 N/A LEU 241.A N LEU 237.A O no hydrogen 2.992 N/A LEU 242.A N PHE 238.A O no hydrogen 3.042 N/A GLY 243.A N PHE 239.A O no hydrogen 2.781 N/A ILE 244.A N PHE 239.A O no hydrogen 3.320 N/A LYS 250.A N ASP 247.A OD1 no hydrogen 3.170 N/A ILE 251.A N ASP 247.A O no hydrogen 3.022 N/A LYS 252.A N TRP 248.A O no hydrogen 2.797 N/A TYR 253.A N GLU 249.A O no hydrogen 3.124 N/A TYR 253.A OH LEU 172.A O no hydrogen 2.593 N/A TYR 254.A N LYS 250.A O no hydrogen 3.020 N/A ILE 255.A N ILE 251.A O no hydrogen 3.151 N/A LEU 256.A N LYS 252.A O no hydrogen 3.097 N/A LEU 257.A N TYR 253.A O no hydrogen 2.910 N/A ASP 258.A N TYR 254.A O no hydrogen 3.190 N/A GLU 259.A N LEU 256.A O no hydrogen 2.999 N/A PHE 261.A N ASP 258.A O no hydrogen 3.024 N/A