Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ctq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLU 18.A OE1 no hydrogen 2.491 N/A TYR 5.A N VAL 16.A O no hydrogen 2.996 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.712 N/A GLN 7.A N TRP 14.A O no hydrogen 2.903 N/A LEU 9.A N THR 12.A O no hydrogen 2.863 N/A THR 12.A N LEU 9.A O no hydrogen 3.017 N/A TRP 14.A N GLN 7.A O no hydrogen 2.672 N/A GLU 15.A N TYR 99.A OH no hydrogen 3.055 N/A VAL 16.A N TYR 5.A O no hydrogen 3.132 N/A GLU 18.A N THR 3.A O no hydrogen 2.870 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 3.326 N/A ARG 19.A NE ASP 39.A OD2 no hydrogen 2.619 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 2.682 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 3.469 N/A TYR 20.A N PRO 17.A O no hydrogen 2.966 N/A TYR 20.A OH ASP 84.A OD1 no hydrogen 2.610 N/A GLN 21.A N PHE 38.A O no hydrogen 3.020 N/A SER 24.A N ALA 36.A O no hydrogen 2.700 N/A VAL 26.A N VAL 34.A O no hydrogen 3.255 N/A ALA 30.A N GLY 27.A O no hydrogen 2.533 N/A GLY 32.A N GLY 29.A O no hydrogen 3.295 N/A VAL 34.A N GLY 32.A O no hydrogen 2.820 N/A CYS 35.A N VAL 48.A O no hydrogen 2.807 N/A ALA 36.A N SER 24.A O no hydrogen 2.567 N/A ALA 37.A N VAL 46.A O no hydrogen 2.897 N/A PHE 38.A N GLN 21.A O no hydrogen 2.798 N/A ASP 39.A N HIS 44.A O no hydrogen 2.969 N/A THR 40.A N ARG 19.A O no hydrogen 3.059 N/A THR 40.A OG1 ARG 19.A O no hydrogen 3.165 N/A LYS 41.A N ASP 39.A OD2 no hydrogen 3.069 N/A THR 42.A N ASP 39.A O no hydrogen 3.159 N/A GLY 43.A N ASP 39.A O no hydrogen 2.575 N/A HIS 44.A N THR 42.A OG1 no hydrogen 3.228 N/A VAL 46.A N ALA 37.A O no hydrogen 2.840 N/A ALA 47.A N THR 102.A O no hydrogen 2.734 N/A VAL 48.A N CYS 35.A O no hydrogen 2.705 N/A LYS 49.A N LEU 100.A O no hydrogen 2.805 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 2.638 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 3.308 N/A LYS 50.A N SER 33.A O no hydrogen 2.913 N/A LYS 50.A NZ THR 12.A OG1 no hydrogen 2.812 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.937 N/A LEU 51.A N VAL 98.A O no hydrogen 2.975 N/A GLN 56.A N ARG 53.A O no hydrogen 2.993 N/A HIS 60.A N SER 57.A OG no hydrogen 3.113 N/A HIS 60.A ND1 ARG 53.A O no hydrogen 2.763 N/A ALA 61.A N SER 57.A O no hydrogen 2.891 N/A LYS 62.A N ILE 58.A O no hydrogen 2.916 N/A LYS 62.A NZ GLU 312.A O no hydrogen 2.831 N/A LYS 62.A NZ ARG 314.A O no hydrogen 3.243 N/A ARG 63.A N ILE 59.A O no hydrogen 3.084 N/A THR 64.A N HIS 60.A O no hydrogen 2.847 N/A THR 64.A OG1 PRO 54.A O no hydrogen 3.068 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.865 N/A TYR 65.A N ALA 61.A O no hydrogen 3.080 N/A ARG 66.A N LYS 62.A O no hydrogen 2.712 N/A ARG 66.A NE GLU 312.A OE1 no hydrogen 3.323 N/A ARG 66.A NE GLU 312.A OE2 no hydrogen 2.591 N/A ARG 66.A NH2 GLU 312.A OE1 no hydrogen 2.795 N/A GLU 67.A N ARG 63.A O no hydrogen 2.945 N/A LEU 68.A N THR 64.A O no hydrogen 3.027 N/A ARG 69.A N TYR 65.A O no hydrogen 2.902 N/A ARG 69.A NH2 ASP 308.A O no hydrogen 2.808 N/A LEU 70.A N ARG 66.A O no hydrogen 2.881 N/A LEU 71.A N GLU 67.A O no hydrogen 2.929 N/A LYS 72.A N LEU 68.A O no hydrogen 3.052 N/A LYS 72.A NZ GLU 328.A O no hydrogen 2.955 N/A LYS 72.A NZ GLU 328.A OE1 no hydrogen 2.605 N/A HIS 73.A N ARG 69.A O no hydrogen 3.169 N/A HIS 73.A N LEU 70.A O no hydrogen 3.068 N/A HIS 73.A NE2 ASP 305.A O no hydrogen 2.814 N/A MET 74.A N LEU 70.A O no hydrogen 2.982 N/A LYS 75.A N TYR 136.A OH no hydrogen 2.808 N/A ASN 78.A ND2 LEU 160.A O no hydrogen 3.122 N/A VAL 79.A N HIS 76.A O no hydrogen 3.008 N/A ILE 80.A N ILE 162.A O no hydrogen 3.066 N/A LEU 83.A N VAL 101.A O no hydrogen 2.744 N/A ASP 84.A N VAL 101.A O no hydrogen 3.258 N/A VAL 85.A N ASP 84.A OD2 no hydrogen 2.808 N/A PHE 86.A N TYR 99.A O no hydrogen 3.014 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.712 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.222 N/A ARG 90.A N GLU 94.A OE1 no hydrogen 3.069 N/A SER 91.A OG GLU 93.A OE1 no hydrogen 2.973 N/A GLU 94.A N SER 91.A OG no hydrogen 3.384 N/A PHE 95.A N LEU 92.A O no hydrogen 3.171 N/A TYR 99.A N PHE 86.A O no hydrogen 2.989 N/A LEU 100.A N LYS 49.A O no hydrogen 2.816 N/A VAL 101.A N ASP 84.A O no hydrogen 2.636 N/A THR 102.A N ALA 47.A O no hydrogen 2.989 N/A THR 102.A OG1 HIS 103.A O no hydrogen 2.911 N/A LEU 104.A N ARG 45.A O no hydrogen 3.311 N/A LEU 109.A N PRO 149.A O no hydrogen 3.090 N/A ASN 111.A N ASP 108.A OD2 no hydrogen 2.758 N/A ILE 112.A N ASP 108.A O no hydrogen 3.433 N/A VAL 113.A N LEU 109.A O no hydrogen 3.042 N/A LYS 114.A N ASN 110.A O no hydrogen 2.628 N/A CYS 115.A SG ASN 111.A O no hydrogen 3.896 N/A CYS 115.A SG ILE 112.A O no hydrogen 4.001 N/A HIS 122.A N THR 119.A OG1 no hydrogen 3.117 N/A VAL 123.A N THR 119.A O no hydrogen 3.039 N/A GLN 124.A N ASP 120.A O no hydrogen 2.942 N/A GLN 124.A NE2 GLN 294.A OE1 no hydrogen 2.493 N/A PHE 125.A N ASP 121.A O no hydrogen 3.136 N/A LEU 126.A N HIS 122.A O no hydrogen 3.107 N/A ILE 127.A N VAL 123.A O no hydrogen 2.934 N/A TYR 128.A N GLN 124.A O no hydrogen 2.748 N/A TYR 128.A OH GLU 301.A OE1 no hydrogen 2.837 N/A GLN 129.A N PHE 125.A O no hydrogen 3.023 N/A GLN 129.A NE2 PHE 125.A O no hydrogen 3.162 N/A GLN 129.A NE2 CYS 158.A O no hydrogen 2.877 N/A ILE 130.A N LEU 126.A O no hydrogen 3.077 N/A LEU 131.A N ILE 127.A O no hydrogen 2.905 N/A ARG 132.A N TYR 128.A O no hydrogen 2.771 N/A ARG 132.A NE ASP 300.A O no hydrogen 2.637 N/A ARG 132.A NH1 GLU 77.A OE2 no hydrogen 3.129 N/A ARG 132.A NH1 ASN 78.A OD1 no hydrogen 2.834 N/A ARG 132.A NH2 ASP 300.A O no hydrogen 2.715 N/A GLY 133.A N GLN 129.A O no hydrogen 2.774 N/A LEU 134.A N ILE 130.A O no hydrogen 2.798 N/A LYS 135.A N LEU 131.A O no hydrogen 2.961 N/A LYS 135.A NZ GLU 301.A O no hydrogen 2.943 N/A TYR 136.A N ARG 132.A O no hydrogen 3.429 N/A TYR 136.A OH HIS 73.A O no hydrogen 3.110 N/A ILE 137.A N GLY 133.A O no hydrogen 2.980 N/A HIS 138.A N LEU 134.A O no hydrogen 2.765 N/A HIS 138.A NE2 ASP 189.A OD1 no hydrogen 2.802 N/A SER 139.A N LYS 135.A O no hydrogen 2.892 N/A SER 139.A N TYR 136.A O no hydrogen 3.272 N/A SER 139.A OG TYR 136.A O no hydrogen 2.735 N/A ALA 140.A N ILE 137.A O no hydrogen 3.019 N/A ASP 141.A N HIS 138.A O no hydrogen 3.059 N/A ILE 142.A N ILE 137.A O no hydrogen 3.281 N/A HIS 144.A N ASP 189.A OD1 no hydrogen 2.856 N/A ARG 145.A N ASP 189.A OD2 no hydrogen 2.919 N/A ASN 151.A N LYS 148.A O no hydrogen 2.762 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.748 N/A LEU 152.A N PRO 149.A O no hydrogen 3.159 N/A ALA 153.A N LYS 161.A O no hydrogen 2.970 N/A VAL 154.A N ALA 107.A O no hydrogen 2.852 N/A ASN 155.A N GLU 159.A O no hydrogen 2.948 N/A ASP 157.A N ASN 155.A OD1 no hydrogen 2.749 N/A CYS 158.A N ASN 155.A O no hydrogen 3.057 N/A GLU 159.A N ASN 155.A OD1 no hydrogen 2.849 N/A LEU 160.A N GLN 129.A OE1 no hydrogen 2.659 N/A LYS 161.A N ALA 153.A O no hydrogen 2.786 N/A LYS 161.A NZ GLU 77.A O no hydrogen 2.778 N/A ILE 162.A N ASN 78.A O no hydrogen 2.840 N/A LEU 163.A N ASN 151.A O no hydrogen 2.950 N/A GLY 166.A N ASP 164.A OD1 no hydrogen 2.694 N/A TRP 171.A N ALA 168.A O no hydrogen 3.236 N/A TRP 171.A NE1 GLY 209.A O no hydrogen 2.903 N/A TYR 172.A N THR 169.A O no hydrogen 2.974 N/A TYR 172.A OH GLU 199.A OE1 no hydrogen 2.574 N/A TYR 172.A OH GLU 199.A OE2 no hydrogen 3.381 N/A ARG 173.A N ARG 170.A O no hydrogen 2.875 N/A ARG 173.A NH1 ARG 145.A O no hydrogen 3.154 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.786 N/A ILE 177.A N ALA 174.A O no hydrogen 3.239 N/A ASN 180.A N ILE 177.A O no hydrogen 3.037 N/A TRP 181.A N GLU 176.A O no hydrogen 3.092 N/A MET 182.A N TYR 184.A OH no hydrogen 3.332 N/A ASN 185.A ND2 SER 277.A OG no hydrogen 2.899 N/A GLN 186.A NE2 HIS 138.A O no hydrogen 2.735 N/A THR 187.A N ASN 185.A OD1 no hydrogen 2.734 N/A THR 187.A OG1 ASN 185.A OD1 no hydrogen 2.320 N/A THR 187.A OG1 SER 277.A O no hydrogen 3.394 N/A VAL 188.A N ASN 185.A O no hydrogen 3.075 N/A ASP 189.A N GLN 186.A O no hydrogen 2.835 N/A TRP 191.A N THR 187.A O no hydrogen 3.109 N/A SER 192.A OG TYR 172.A O no hydrogen 2.776 N/A SER 192.A OG VAL 188.A O no hydrogen 3.422 N/A VAL 193.A N ASP 189.A O no hydrogen 3.061 N/A GLY 194.A N ILE 190.A O no hydrogen 3.014 N/A CYS 195.A N TRP 191.A O no hydrogen 3.076 N/A CYS 195.A SG TRP 171.A O no hydrogen 3.855 N/A CYS 195.A SG TRP 191.A O no hydrogen 3.415 N/A ILE 196.A N SER 192.A O no hydrogen 2.869 N/A MET 197.A N VAL 193.A O no hydrogen 2.706 N/A ALA 198.A N GLY 194.A O no hydrogen 2.870 N/A GLU 199.A N CYS 195.A O no hydrogen 3.188 N/A LEU 200.A N ILE 196.A O no hydrogen 3.063 N/A LEU 201.A N MET 197.A O no hydrogen 3.191 N/A LEU 201.A N ALA 198.A O no hydrogen 3.113 N/A THR 202.A N ALA 198.A O no hydrogen 2.970 N/A THR 202.A OG1 ALA 198.A O no hydrogen 3.052 N/A THR 202.A OG1 ARG 204.A O no hydrogen 3.053 N/A GLY 203.A N GLU 199.A O no hydrogen 2.786 N/A ARG 204.A N THR 202.A OG1 no hydrogen 3.211 N/A GLY 209.A N PHE 207.A O no hydrogen 2.938 N/A THR 210.A N ASP 214.A OD2 no hydrogen 2.995 N/A ASP 214.A N ASP 211.A OD2 no hydrogen 2.622 N/A GLN 215.A N ASP 211.A O no hydrogen 2.895 N/A LEU 216.A N HIS 212.A O no hydrogen 2.626 N/A LYS 217.A N ILE 213.A O no hydrogen 2.929 N/A LEU 218.A N ASP 214.A O no hydrogen 3.017 N/A ILE 219.A N GLN 215.A O no hydrogen 3.037 N/A LEU 220.A N LEU 216.A O no hydrogen 3.015 N/A ARG 221.A N LYS 217.A O no hydrogen 3.144 N/A LEU 222.A N ILE 219.A O no hydrogen 2.952 N/A VAL 223.A N ILE 219.A O no hydrogen 2.844 N/A THR 225.A OG1 ALA 247.A O no hydrogen 3.529 N/A LEU 231.A N GLY 227.A O no hydrogen 2.969 N/A LYS 232.A N ALA 228.A O no hydrogen 3.055 N/A LYS 233.A N LEU 230.A O no hydrogen 2.905 N/A LYS 233.A NZ ASP 276.A OD1 no hydrogen 3.209 N/A LYS 233.A NZ ASP 276.A OD2 no hydrogen 2.778 N/A LYS 233.A NZ ASP 278.A OD1 no hydrogen 3.031 N/A ILE 234.A N LEU 231.A O no hydrogen 3.213 N/A SER 238.A OG SER 236.A OG no hydrogen 3.176 N/A ALA 239.A N SER 236.A OG no hydrogen 2.974 N/A ARG 240.A N SER 236.A O no hydrogen 3.085 N/A ARG 240.A NE LEU 231.A O no hydrogen 2.980 N/A ASN 241.A N GLU 237.A O no hydrogen 3.037 N/A TYR 242.A N SER 238.A O no hydrogen 2.912 N/A ILE 243.A N ALA 239.A O no hydrogen 3.057 N/A SER 245.A N ASN 241.A O no hydrogen 2.843 N/A SER 245.A OG TYR 242.A O no hydrogen 2.972 N/A LEU 246.A N TYR 242.A O no hydrogen 3.035 N/A ALA 247.A N GLN 244.A O no hydrogen 2.912 N/A GLN 248.A NE2 GLN 244.A O no hydrogen 2.906 N/A LYS 251.A NZ LEU 222.A O no hydrogen 2.970 N/A LYS 251.A NZ MET 252.A O no hydrogen 2.597 N/A MET 252.A N ARG 221.A O no hydrogen 2.745 N/A VAL 257.A N PHE 254.A O no hydrogen 2.829 N/A PHE 258.A N PHE 254.A O no hydrogen 3.415 N/A PHE 258.A N ALA 255.A O no hydrogen 3.101 N/A ALA 261.A N PHE 258.A O no hydrogen 3.017 N/A ASN 262.A ND2 ASP 120.A OD2 no hydrogen 3.042 N/A LEU 264.A N ASN 262.A OD1 no hydrogen 2.623 N/A VAL 266.A N ASN 262.A O no hydrogen 3.229 N/A ASP 267.A N PRO 263.A O no hydrogen 3.081 N/A LEU 268.A N LEU 264.A O no hydrogen 3.115 N/A LEU 269.A N ALA 265.A O no hydrogen 2.985 N/A GLU 270.A N VAL 266.A O no hydrogen 2.964 N/A LYS 271.A N ASP 267.A O no hydrogen 3.233 N/A LYS 271.A N LEU 268.A O no hydrogen 2.827 N/A LYS 271.A NZ ASP 267.A OD2 no hydrogen 3.357 N/A MET 272.A N LEU 269.A O no hydrogen 3.226 N/A LEU 273.A N LEU 269.A O no hydrogen 2.837 N/A ASP 278.A N ASP 276.A OD1 no hydrogen 2.943 N/A LYS 279.A N ASP 276.A O no hydrogen 2.885 N/A ARG 280.A N SER 277.A O no hydrogen 3.192 N/A ARG 280.A NE VAL 274.A O no hydrogen 2.936 N/A ARG 280.A NH1 GLU 176.A OE2 no hydrogen 2.993 N/A ARG 280.A NH1 THR 187.A O no hydrogen 3.127 N/A ARG 280.A NH2 GLU 176.A OE1 no hydrogen 3.090 N/A ARG 280.A NH2 GLU 176.A OE2 no hydrogen 3.466 N/A ARG 280.A NH2 VAL 274.A O no hydrogen 3.084 N/A ARG 280.A NH2 LEU 275.A O no hydrogen 3.056 N/A ILE 281.A N LYS 271.A O no hydrogen 2.946 N/A THR 282.A N GLN 285.A OE1 no hydrogen 3.042 N/A GLN 285.A N THR 282.A OG1 no hydrogen 3.122 N/A ALA 286.A N THR 282.A O no hydrogen 2.840 N/A LEU 287.A N ALA 283.A O no hydrogen 3.041 N/A ALA 288.A N GLN 285.A O no hydrogen 2.950 N/A HIS 289.A N ALA 286.A O no hydrogen 2.910 N/A TYR 291.A OH ASP 120.A OD1 no hydrogen 2.805 N/A PHE 292.A N HIS 289.A O no hydrogen 2.951 N/A ALA 293.A N ALA 290.A O no hydrogen 3.251 N/A TYR 295.A N PHE 292.A O no hydrogen 2.997 N/A TYR 295.A OH ASP 121.A OD2 no hydrogen 2.749 N/A HIS 296.A N PHE 292.A O no hydrogen 2.693 N/A HIS 296.A ND1 GLU 301.A OE1 no hydrogen 2.677 N/A ASP 297.A N GLU 301.A OE1 no hydrogen 3.226 N/A ASP 299.A N ASP 297.A OD1 no hydrogen 2.863 N/A ASP 300.A N ASP 297.A O no hydrogen 2.890 N/A ALA 304.A N SER 139.A OG no hydrogen 2.730 N/A SER 310.A N ASP 308.A OD1 no hydrogen 2.962 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.620 N/A SER 310.A OG ASP 308.A OD2 no hydrogen 3.456 N/A GLU 312.A N GLN 309.A O no hydrogen 3.053 N/A SER 313.A N SER 310.A O no hydrogen 3.191 N/A SER 313.A OG SER 310.A O no hydrogen 3.161 N/A ARG 314.A N PHE 311.A O no hydrogen 3.085 N/A ARG 314.A NH1 SER 310.A O no hydrogen 3.376 N/A LEU 317.A N GLU 320.A OE1 no hydrogen 3.008 N/A GLU 320.A N LEU 317.A O no hydrogen 2.911 N/A TRP 321.A N LEU 317.A O no hydrogen 3.098 N/A LYS 322.A N ILE 318.A O no hydrogen 2.769 N/A SER 323.A N ASP 319.A O no hydrogen 2.944 N/A LEU 324.A N GLU 320.A O no hydrogen 3.021 N/A THR 325.A N TRP 321.A O no hydrogen 2.833 N/A THR 325.A OG1 TRP 321.A O no hydrogen 2.852 N/A TYR 326.A N LYS 322.A O no hydrogen 2.863 N/A ASP 327.A N SER 323.A O no hydrogen 2.986 N/A GLU 328.A N LEU 324.A O no hydrogen 3.192 N/A VAL 329.A N THR 325.A O no hydrogen 2.987 N/A ILE 330.A N TYR 326.A O no hydrogen 3.015 N/A SER 331.A N ASP 327.A O no hydrogen 2.984 N/A SER 331.A OG ASP 327.A O no hydrogen 3.248 N/A SER 331.A OG GLU 328.A O no hydrogen 3.484 N/A PHE 332.A N VAL 329.A O no hydrogen 3.323 N/A