Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bxj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N GLN 30.A O no hydrogen 3.204 N/A VAL 8.A N ARG 28.A O no hydrogen 3.056 N/A ASP 9.A N PHE 15.A O no hydrogen 2.921 N/A ASN 10.A N LYS 26.A O no hydrogen 2.603 N/A PHE 15.A N ASP 9.A O no hydrogen 3.007 N/A GLU 21.A N ALA 27.A O no hydrogen 2.733 N/A LYS 26.A N ASN 10.A O no hydrogen 2.840 N/A ALA 27.A N GLU 21.A O no hydrogen 3.068 N/A ARG 28.A N VAL 8.A O no hydrogen 2.803 N/A ILE 34.A N LYS 2.A O no hydrogen 2.888 N/A LEU 35.A N TYR 40.A OH no hydrogen 3.014 N/A LEU 39.A N PRO 36.A O no hydrogen 3.030 N/A TYR 40.A N MET 37.A O no hydrogen 3.365 N/A LYS 41.A N GLU 38.A O no hydrogen 3.180 N/A ALA 44.A N TYR 40.A O no hydrogen 2.886 N/A GLU 45.A N LYS 41.A O no hydrogen 2.950 N/A TYR 46.A N GLU 42.A O no hydrogen 2.943 N/A THR 48.A N ALA 44.A O no hydrogen 2.962 N/A THR 48.A OG1 ALA 44.A O no hydrogen 2.702 N/A THR 48.A OG1 THR 81.A OG1 no hydrogen 3.115 N/A ASN 49.A N GLU 45.A O no hydrogen 2.988 N/A ASN 49.A ND2 GLU 45.A OE2 no hydrogen 3.013 N/A TYR 51.A OH ASP 90.A OD1 no hydrogen 3.132 N/A MET 53.A N HIS 50.A ND1 no hydrogen 3.129 N/A LEU 54.A N HIS 50.A O no hydrogen 3.456 N/A CYS 55.A N TYR 51.A O no hydrogen 2.730 N/A CYS 55.A SG TYR 51.A O no hydrogen 3.409 N/A ALA 56.A N ARG 52.A O no hydrogen 2.875 N/A VAL 57.A N MET 53.A O no hydrogen 2.802 N/A LEU 58.A N LEU 54.A O no hydrogen 3.041 N/A GLU 59.A N CYS 55.A O no hydrogen 2.890 N/A ALA 61.A N LEU 58.A O no hydrogen 3.000 N/A LEU 62.A N LEU 58.A O no hydrogen 3.081 N/A LYS 65.A N ASN 63.A OD1 no hydrogen 2.904 N/A GLY 66.A N ASN 63.A OD1 no hydrogen 2.950 N/A LYS 67.A N ASN 63.A O no hydrogen 2.903 N/A LYS 67.A NZ ASN 110.A O no hydrogen 3.143 N/A GLU 68.A N VAL 64.A O no hydrogen 3.275 N/A GLU 69.A N LYS 65.A O no hydrogen 2.923 N/A VAL 70.A N GLY 66.A O no hydrogen 2.923 N/A ALA 71.A N LYS 67.A O no hydrogen 2.933 N/A SER 72.A N GLU 68.A O no hydrogen 2.819 N/A ALA 73.A N GLU 69.A O no hydrogen 2.982 N/A LEU 74.A N VAL 70.A O no hydrogen 3.049 N/A VAL 75.A N ALA 71.A O no hydrogen 3.147 N/A HIS 76.A N SER 72.A O no hydrogen 3.412 N/A HIS 76.A ND1 SER 72.A O no hydrogen 2.766 N/A ILE 77.A N ALA 73.A O no hydrogen 2.931 N/A LEU 78.A N LEU 74.A O no hydrogen 2.543 N/A GLN 79.A N VAL 75.A O no hydrogen 2.908 N/A GLN 79.A NE2 GLN 79.A O no hydrogen 2.606 N/A SER 80.A N HIS 76.A O no hydrogen 3.308 N/A THR 81.A N ILE 77.A O no hydrogen 3.114 N/A THR 81.A N LEU 78.A O no hydrogen 3.053 N/A THR 81.A OG1 THR 48.A OG1 no hydrogen 3.115 N/A GLY 82.A N GLN 79.A O no hydrogen 3.133 N/A LYS 85.A N PHE 87.A O no hydrogen 2.442 N/A LYS 85.A NZ ASP 86.A OD2 no hydrogen 2.745 N/A SER 89.A N LYS 85.A O no hydrogen 2.692 N/A SER 89.A OG LYS 85.A O no hydrogen 2.727 N/A SER 89.A OG ASP 86.A O no hydrogen 2.943 N/A SER 89.A OG ASP 90.A OD2 no hydrogen 3.390 N/A ASP 90.A N ASP 86.A O no hydrogen 2.770 N/A ALA 92.A N LEU 88.A O no hydrogen 3.159 N/A MET 93.A N SER 89.A O no hydrogen 2.707 N/A SER 94.A N ASP 90.A O no hydrogen 2.890 N/A SER 94.A OG ASP 90.A O no hydrogen 3.112 N/A VAL 96.A N ALA 92.A O no hydrogen 3.026 N/A ASP 97.A N MET 93.A O no hydrogen 2.745 N/A ARG 98.A N SER 94.A O no hydrogen 3.089 N/A PHE 99.A N VAL 96.A O no hydrogen 3.278 N/A ARG 102.A NE GLU 101.A OE2 no hydrogen 3.282 N/A ARG 102.A NH2 GLU 101.A OE2 no hydrogen 3.485 N/A THR 111.A OG1 ARG 108.A O no hydrogen 3.537 N/A THR 114.A N THR 111.A O no hydrogen 2.819 N/A THR 114.A OG1 ARG 108.A O no hydrogen 3.521 N/A THR 114.A OG1 GLU 109.A O no hydrogen 3.312 N/A THR 114.A OG1 GLU 109.A OE2 no hydrogen 3.463 N/A LYS 115.A N THR 111.A O no hydrogen 2.931 N/A LYS 115.A NZ GLU 109.A OE1 no hydrogen 3.090 N/A ALA 116.A N LEU 112.A O no hydrogen 2.890 N/A ALA 116.A N ALA 113.A O no hydrogen 3.114 N/A ILE 117.A N ALA 113.A O no hydrogen 3.150 N/A GLU 118.A N THR 114.A O no hydrogen 3.260 N/A GLU 119.A N LYS 115.A O no hydrogen 3.117 N/A TYR 120.A N ALA 116.A O no hydrogen 2.872 N/A TYR 120.A OH GLN 79.A OE1 no hydrogen 2.660 N/A MET 121.A N ILE 117.A O no hydrogen 2.995 N/A ARG 122.A N GLU 118.A O no hydrogen 3.090 N/A ARG 122.A NH2 LEU 230.A O no hydrogen 3.310 N/A LEU 123.A N GLU 119.A O no hydrogen 2.797 N/A ILE 124.A N TYR 120.A O no hydrogen 2.775 N/A GLN 126.A NE2 PHE 231.A O no hydrogen 3.163 N/A TYR 128.A OH SER 180.A OG no hydrogen 2.577 N/A LEU 129.A N GLY 125.A O no hydrogen 3.172 N/A LYS 130.A N GLN 126.A O no hydrogen 3.136 N/A ASP 131.A N LYS 127.A O no hydrogen 2.693 N/A ILE 133.A N LEU 129.A O no hydrogen 3.261 N/A GLY 134.A N LYS 130.A O no hydrogen 2.973 N/A ILE 137.A N ILE 133.A O no hydrogen 3.032 N/A ARG 138.A N GLY 134.A O no hydrogen 3.036 N/A ALA 139.A N GLU 135.A O no hydrogen 2.877 N/A LEU 140.A N PHE 136.A O no hydrogen 3.127 N/A TYR 141.A N ILE 137.A O no hydrogen 3.091 N/A TYR 141.A OH GLU 236.A O no hydrogen 2.972 N/A GLU 142.A N ARG 138.A O no hydrogen 2.953 N/A SER 143.A N ALA 139.A O no hydrogen 3.150 N/A SER 143.A OG ALA 139.A O no hydrogen 3.285 N/A GLU 148.A N ASN 146.A OD1 no hydrogen 3.211 N/A ASP 150.A N GLU 148.A OE2 no hydrogen 3.322 N/A LYS 153.A N ASP 150.A OD2 no hydrogen 2.955 N/A CYS 154.A N PRO 151.A O no hydrogen 3.175 N/A CYS 154.A SG GLU 148.A O no hydrogen 3.426 N/A CYS 154.A SG ASP 150.A O no hydrogen 3.947 N/A CYS 154.A SG THR 155.A O no hydrogen 3.648 N/A CYS 154.A SG HIS 162.A ND1 no hydrogen 3.899 N/A SER 158.A N THR 155.A O no hydrogen 3.306 N/A SER 158.A OG HIS 162.A NE2 no hydrogen 2.733 N/A HIS 162.A N SER 158.A O no hydrogen 3.170 N/A HIS 162.A ND1 GLU 148.A O no hydrogen 2.928 N/A GLN 163.A N LEU 159.A O no hydrogen 2.963 N/A ALA 164.A N ALA 160.A O no hydrogen 3.119 N/A ASN 165.A N GLU 161.A O no hydrogen 2.959 N/A ASN 165.A ND2 ASN 146.A O no hydrogen 3.032 N/A LEU 166.A N HIS 162.A O no hydrogen 2.921 N/A ARG 167.A N GLN 163.A O no hydrogen 2.979 N/A MET 168.A N ALA 164.A O no hydrogen 2.978 N/A CYS 169.A N ASN 165.A O no hydrogen 3.094 N/A CYS 169.A SG GLU 145.A OE1 no hydrogen 3.825 N/A CYS 169.A SG ASN 165.A O no hydrogen 3.239 N/A CYS 170.A N LEU 166.A O no hydrogen 2.895 N/A CYS 170.A SG LEU 166.A O no hydrogen 3.383 N/A GLU 171.A N ARG 167.A O no hydrogen 2.866 N/A LEU 172.A N MET 168.A O no hydrogen 2.944 N/A ALA 173.A N CYS 169.A O no hydrogen 2.868 N/A LEU 174.A N CYS 170.A O no hydrogen 2.690 N/A CYS 175.A N GLU 171.A O no hydrogen 3.064 N/A LYS 176.A N LEU 172.A O no hydrogen 3.311 N/A VAL 177.A N ALA 173.A O no hydrogen 3.364 N/A VAL 177.A N LEU 174.A O no hydrogen 3.221 N/A VAL 178.A N LEU 174.A O no hydrogen 2.960 N/A ASN 179.A N CYS 175.A O no hydrogen 3.134 N/A SER 180.A N VAL 177.A O no hydrogen 2.810 N/A SER 180.A OG TYR 128.A OH no hydrogen 2.577 N/A SER 180.A OG VAL 177.A O no hydrogen 2.539 N/A HIS 181.A ND1 VAL 178.A O no hydrogen 3.043 N/A CYS 182.A SG ASN 179.A O no hydrogen 3.976 N/A VAL 183.A N SER 180.A O no hydrogen 3.320 N/A PHE 184.A N HIS 181.A O no hydrogen 3.247 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 3.199 N/A LEU 188.A N PRO 185.A O no hydrogen 3.016 N/A LYS 189.A N PRO 185.A O no hydrogen 2.894 N/A LYS 189.A NZ HIS 181.A O no hydrogen 3.049 N/A GLU 190.A N ARG 186.A O no hydrogen 2.937 N/A PHE 192.A N LEU 188.A O no hydrogen 3.313 N/A ALA 193.A N LYS 189.A O no hydrogen 2.771 N/A SER 194.A N GLU 190.A O no hydrogen 2.855 N/A TRP 195.A N VAL 191.A O no hydrogen 2.939 N/A TRP 195.A NE1 LEU 88.A O no hydrogen 3.123 N/A ARG 196.A N PHE 192.A O no hydrogen 2.973 N/A ARG 196.A NE SER 291.A OG no hydrogen 2.889 N/A ARG 196.A NH1 GLU 205.A OE2 no hydrogen 3.109 N/A ARG 196.A NH1 ASP 209.A OD2 no hydrogen 3.215 N/A ARG 196.A NH2 ASP 209.A OD1 no hydrogen 3.139 N/A ARG 196.A NH2 ASP 209.A OD2 no hydrogen 3.486 N/A ARG 196.A NH2 SER 291.A OG no hydrogen 2.872 N/A LEU 197.A N ALA 193.A O no hydrogen 3.222 N/A ARG 198.A N SER 194.A O no hydrogen 3.038 N/A CYS 199.A N TRP 195.A O no hydrogen 2.720 N/A CYS 199.A SG TRP 195.A O no hydrogen 3.114 N/A ALA 200.A N ARG 196.A O no hydrogen 3.004 N/A GLU 201.A N LEU 197.A O no hydrogen 3.205 N/A ARG 202.A NE ASP 97.A OD1 no hydrogen 3.017 N/A ARG 202.A NH2 ASP 97.A OD1 no hydrogen 3.513 N/A ARG 202.A NH2 ASP 97.A OD2 no hydrogen 3.252 N/A GLY 203.A N ALA 200.A O no hydrogen 3.031 N/A ARG 204.A N CYS 199.A O no hydrogen 3.038 N/A ILE 207.A N ARG 204.A O no hydrogen 3.080 N/A ALA 208.A N GLU 205.A O no hydrogen 2.924 N/A LEU 211.A N ILE 207.A O no hydrogen 2.967 N/A ILE 212.A N ALA 208.A O no hydrogen 2.929 N/A SER 213.A N ASP 209.A O no hydrogen 2.725 N/A SER 213.A OG ASN 258.A OD1 no hydrogen 3.558 N/A ALA 214.A N ARG 210.A O no hydrogen 2.967 N/A SER 215.A N LEU 211.A O no hydrogen 2.937 N/A SER 215.A OG LEU 211.A O no hydrogen 2.521 N/A LEU 216.A N ILE 212.A O no hydrogen 2.806 N/A PHE 217.A N SER 213.A O no hydrogen 2.695 N/A ARG 219.A N ALA 214.A O no hydrogen 3.267 N/A ARG 219.A NE GLU 109.A OE2 no hydrogen 2.646 N/A ARG 219.A NH1 PHE 107.A O no hydrogen 3.202 N/A ARG 219.A NH2 PHE 107.A O no hydrogen 3.058 N/A LEU 221.A N LEU 216.A O no hydrogen 2.747 N/A CYS 222.A N PHE 217.A O no hydrogen 2.955 N/A CYS 222.A SG ALA 250.A O no hydrogen 3.653 N/A ALA 224.A N PHE 220.A O no hydrogen 3.157 N/A ILE 225.A N LEU 221.A O no hydrogen 2.911 N/A MET 226.A N CYS 222.A O no hydrogen 3.012 N/A SER 227.A N PRO 223.A O no hydrogen 2.733 N/A SER 229.A OG GLU 236.A O no hydrogen 3.516 N/A LEU 230.A N SER 227.A O no hydrogen 3.211 N/A PHE 231.A N PRO 228.A O no hydrogen 3.434 N/A LEU 233.A N PRO 228.A O no hydrogen 3.035 N/A MET 234.A N PRO 228.A O no hydrogen 3.280 N/A THR 242.A N ASP 239.A OD1 no hydrogen 3.147 N/A THR 242.A OG1 LEU 140.A O no hydrogen 3.375 N/A THR 242.A OG1 ASP 239.A OD1 no hydrogen 2.514 N/A SER 243.A N ASP 239.A O no hydrogen 2.885 N/A ARG 244.A N GLU 240.A O no hydrogen 3.272 N/A ARG 244.A NE GLU 148.A OE1 no hydrogen 3.015 N/A ARG 244.A NH2 GLU 148.A OE1 no hydrogen 3.510 N/A ARG 244.A NH2 GLU 148.A OE2 no hydrogen 3.255 N/A THR 245.A N GLN 241.A O no hydrogen 3.020 N/A THR 245.A OG1 GLU 145.A O no hydrogen 2.762 N/A THR 245.A OG1 GLN 241.A O no hydrogen 2.963 N/A LEU 246.A N THR 242.A O no hydrogen 2.974 N/A THR 247.A N SER 243.A O no hydrogen 2.912 N/A THR 247.A OG1 SER 243.A O no hydrogen 3.120 N/A LEU 248.A N ARG 244.A O no hydrogen 3.101 N/A ILE 249.A N THR 245.A O no hydrogen 3.096 N/A ALA 250.A N LEU 246.A O no hydrogen 2.875 N/A LYS 251.A N THR 247.A O no hydrogen 2.983 N/A VAL 252.A N LEU 248.A O no hydrogen 3.171 N/A ILE 253.A N ILE 249.A O no hydrogen 3.181 N/A GLN 254.A N ALA 250.A O no hydrogen 2.860 N/A ASN 255.A N LYS 251.A O no hydrogen 2.780 N/A ASN 255.A ND2 SER 260.A O no hydrogen 3.019 N/A LEU 256.A N VAL 252.A O no hydrogen 2.796 N/A ALA 257.A N ILE 253.A O no hydrogen 2.789 N/A ASN 258.A N GLN 254.A O no hydrogen 2.936 N/A PHE 259.A N LEU 256.A O no hydrogen 2.898 N/A SER 260.A N ASN 255.A O no hydrogen 3.018 N/A SER 260.A OG ASN 258.A O no hydrogen 3.419 N/A PHE 262.A N ASN 273.A OD1 no hydrogen 3.112 N/A LEU 269.A N GLU 266.A O no hydrogen 3.318 N/A MET 272.A N LEU 269.A O no hydrogen 2.857 N/A ASN 273.A N GLY 270.A O no hydrogen 3.029 N/A ASN 273.A ND2 PHE 262.A O no hydrogen 3.484 N/A LEU 276.A N MET 272.A O no hydrogen 3.065 N/A GLU 277.A N ASN 273.A O no hydrogen 2.803 N/A LEU 278.A N GLU 274.A O no hydrogen 2.937 N/A GLU 279.A N LEU 276.A O no hydrogen 2.971 N/A SER 282.A OG GLU 279.A OE2 no hydrogen 3.318 N/A MET 283.A N GLU 279.A O no hydrogen 3.108 N/A GLN 284.A N TRP 280.A O no hydrogen 2.885 N/A GLN 285.A N GLY 281.A O no hydrogen 2.945 N/A PHE 286.A N SER 282.A O no hydrogen 3.248 N/A PHE 286.A N MET 283.A O no hydrogen 2.863 N/A LEU 287.A N MET 283.A O no hydrogen 3.179 N/A TYR 288.A N GLN 284.A O no hydrogen 3.292 N/A GLU 289.A N GLN 285.A O no hydrogen 3.099 N/A ILE 290.A N PHE 286.A O no hydrogen 3.162 N/A SER 291.A N TYR 288.A O no hydrogen 3.204 N/A SER 291.A OG LEU 287.A O no hydrogen 2.417 N/A SER 291.A OG TYR 288.A O no hydrogen 3.163 N/A ASN 292.A ND2 TYR 288.A OH no hydrogen 3.291 N/A ARG 307.A NH2 GLU 308.A OE2 no hydrogen 3.180 N/A GLU 308.A N ASP 304.A O no hydrogen 3.250 N/A LEU 309.A N LEU 305.A O no hydrogen 2.767 N/A SER 310.A N GLY 306.A O no hydrogen 2.756 N/A THR 311.A N ARG 307.A O no hydrogen 3.015 N/A THR 311.A OG1 ARG 307.A O no hydrogen 2.882 N/A LEU 312.A N GLU 308.A O no hydrogen 2.741 N/A HIS 313.A N LEU 309.A O no hydrogen 2.972 N/A ALA 314.A N SER 310.A O no hydrogen 3.195 N/A LEU 315.A N THR 311.A O no hydrogen 3.145 N/A LEU 316.A N LEU 312.A O no hydrogen 2.945 N/A TRP 317.A N HIS 313.A O no hydrogen 2.716 N/A GLU 318.A N ALA 314.A O no hydrogen 3.185 N/A VAL 319.A N LEU 315.A O no hydrogen 3.081 N/A GLN 322.A N VAL 319.A O no hydrogen 3.162 N/A LEU 323.A N LEU 320.A O no hydrogen 3.241 N/A ALA 327.A N SER 324.A OG no hydrogen 3.351 N/A LEU 328.A N SER 324.A O no hydrogen 2.730 N/A LEU 329.A N LYS 325.A O no hydrogen 3.026 N/A LYS 330.A N GLU 326.A O no hydrogen 3.113 N/A LYS 330.A N ALA 327.A O no hydrogen 3.053 N/A LEU 334.A N LEU 331.A O no hydrogen 2.974 N/A ARG 336.A N PRO 333.A O no hydrogen 3.198 N/A LEU 337.A N PRO 333.A O no hydrogen 3.058 N/A LEU 338.A N LEU 334.A O no hydrogen 2.839 N/A SER 339.A N PRO 335.A O no hydrogen 2.988 N/A SER 339.A OG PRO 335.A O no hydrogen 3.377 N/A SER 339.A OG ARG 336.A O no hydrogen 2.925 N/A ASP 340.A N ARG 336.A O no hydrogen 2.910 N/A ILE 341.A N LEU 337.A O no hydrogen 3.270 N/A SER 342.A N LEU 338.A O no hydrogen 2.984 N/A SER 342.A OG LEU 338.A O no hydrogen 3.088 N/A THR 343.A N SER 339.A O no hydrogen 2.859 N/A THR 343.A OG1 SER 339.A O no hydrogen 3.251 N/A ALA 344.A N ASP 340.A O no hydrogen 3.021 N/A LEU 345.A N ILE 341.A O no hydrogen 2.809 N/A ARG 346.A N THR 343.A O no hydrogen 2.939 N/A ASN 347.A N THR 343.A O no hydrogen 3.070 N/A