Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wrr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 GLU 119.A OE1 no hydrogen 3.482 N/A THR 2.A OG1 GLU 119.A OE2 no hydrogen 2.678 N/A LYS 3.A N GLU 119.A OE1 no hydrogen 2.909 N/A LYS 3.A NZ GLU 119.A O no hydrogen 2.942 N/A PHE 4.A N THR 2.A OG1 no hydrogen 3.062 N/A LYS 6.A N ASP 61.A OD2 no hydrogen 3.009 N/A VAL 7.A N ASP 37.A O no hydrogen 2.988 N/A LEU 8.A N LEU 62.A O no hydrogen 2.914 N/A LEU 9.A N HIS 39.A O no hydrogen 2.758 N/A ILE 10.A N ILE 64.A O no hydrogen 2.807 N/A VAL 11.A N LEU 41.A O no hydrogen 2.882 N/A ASN 12.A N PHE 66.A O no hydrogen 3.082 N/A ASN 12.A ND2 THR 71.A OG1 no hydrogen 3.293 N/A LYS 14.A N ASN 12.A OD1 no hydrogen 3.007 N/A ALA 15.A N ASN 12.A O no hydrogen 3.049 N/A GLY 16.A N GLY 93.A O no hydrogen 2.750 N/A GLY 18.A N ALA 15.A O no hydrogen 2.962 N/A ASN 23.A N ASP 19.A O no hydrogen 2.871 N/A ASN 23.A ND2 GLY 16.A O no hydrogen 3.311 N/A LEU 24.A N LEU 20.A O no hydrogen 2.906 N/A THR 25.A N HIS 21.A O no hydrogen 2.886 N/A THR 25.A OG1 HIS 21.A O no hydrogen 3.101 N/A LYS 26.A N THR 22.A O no hydrogen 3.191 N/A ILE 27.A N ASN 23.A O no hydrogen 3.037 N/A VAL 28.A N LEU 24.A O no hydrogen 2.959 N/A ALA 32.A N VAL 28.A O no hydrogen 2.753 N/A ALA 33.A N PRO 29.A O no hydrogen 2.953 N/A ALA 34.A N PRO 30.A O no hydrogen 3.201 N/A PHE 35.A N LEU 31.A O no hydrogen 2.800 N/A HIS 39.A N VAL 7.A O no hydrogen 2.911 N/A LEU 41.A N LEU 9.A O no hydrogen 2.931 N/A THR 43.A N VAL 11.A O no hydrogen 2.832 N/A THR 43.A OG1 VAL 11.A O no hydrogen 3.530 N/A LYS 44.A N ASP 48.A OD2 no hydrogen 2.731 N/A GLU 45.A N ASP 48.A OD2 no hydrogen 2.894 N/A GLY 47.A N GLU 74.A OE2 no hydrogen 3.098 N/A ASP 48.A N GLU 45.A O no hydrogen 3.076 N/A THR 50.A N GLU 74.A OE1 no hydrogen 3.325 N/A THR 50.A OG1 GLU 74.A O no hydrogen 2.990 N/A THR 50.A OG1 GLU 74.A OE1 no hydrogen 3.464 N/A LYS 51.A N GLY 47.A O no hydrogen 3.035 N/A TYR 52.A N ASP 48.A O no hydrogen 2.810 N/A TYR 52.A OH HIS 42.A O no hydrogen 2.725 N/A CYS 53.A N ALA 49.A O no hydrogen 2.967 N/A CYS 53.A SG ALA 49.A O no hydrogen 3.308 N/A GLN 54.A N THR 50.A O no hydrogen 3.012 N/A GLN 54.A NE2 GLY 78.A O no hydrogen 3.301 N/A GLU 55.A N LYS 51.A O no hydrogen 2.848 N/A PHE 56.A N TYR 52.A O no hydrogen 2.845 N/A LYS 59.A N PHE 56.A O no hydrogen 2.828 N/A LYS 59.A NZ GLU 55.A OE2 no hydrogen 3.420 N/A VAL 60.A N PHE 56.A O no hydrogen 3.138 N/A ASP 61.A N LYS 6.A O no hydrogen 2.905 N/A ILE 63.A N THR 87.A O no hydrogen 2.909 N/A ILE 64.A N LEU 8.A O no hydrogen 2.778 N/A VAL 65.A N ALA 89.A O no hydrogen 2.845 N/A PHE 66.A N ILE 10.A O no hydrogen 2.860 N/A GLY 67.A N ILE 91.A O no hydrogen 3.291 N/A VAL 72.A N GLY 68.A O no hydrogen 2.990 N/A PHE 73.A N ASP 69.A O no hydrogen 2.867 N/A GLU 74.A N GLY 70.A O no hydrogen 3.023 N/A CYS 75.A N THR 71.A O no hydrogen 3.165 N/A CYS 75.A SG THR 71.A O no hydrogen 3.559 N/A THR 76.A N VAL 72.A O no hydrogen 2.895 N/A THR 76.A OG1 VAL 72.A O no hydrogen 3.107 N/A ASN 77.A N PHE 73.A O no hydrogen 2.881 N/A GLY 78.A N GLU 74.A O no hydrogen 2.894 N/A LEU 79.A N CYS 75.A O no hydrogen 2.926 N/A ALA 80.A N THR 76.A O no hydrogen 3.005 N/A LEU 82.A N LEU 79.A O no hydrogen 3.146 N/A ARG 85.A NE HIS 283.A O no hydrogen 2.871 N/A ARG 85.A NH1 LEU 82.A O no hydrogen 2.798 N/A ARG 85.A NH2 HIS 283.A O no hydrogen 3.225 N/A THR 87.A OG1 THR 285.A OG1 no hydrogen 2.788 N/A LEU 88.A N THR 285.A O no hydrogen 2.980 N/A ALA 89.A N ILE 63.A O no hydrogen 2.908 N/A ILE 91.A N VAL 65.A O no hydrogen 2.861 N/A GLY 93.A N GLY 67.A O no hydrogen 3.115 N/A GLY 94.A N ASN 97.A OD1 no hydrogen 2.887 N/A CYS 96.A SG ASP 69.A OD2 no hydrogen 3.418 N/A CYS 96.A SG ASP 98.A OD1 no hydrogen 3.416 N/A CYS 96.A SG ASP 98.A OD2 no hydrogen 3.343 N/A CYS 96.A SG LEU 155.A O no hydrogen 3.760 N/A ASN 97.A ND2 GLY 94.A O no hydrogen 2.853 N/A ASN 97.A ND2 GLN 107.A OE1 no hydrogen 3.197 N/A ASP 98.A N ASP 69.A OD1 no hydrogen 2.942 N/A SER 100.A OG ASN 97.A O no hydrogen 2.734 N/A ARG 101.A N ASN 97.A O no hydrogen 3.255 N/A ARG 101.A NE CYS 96.A O no hydrogen 2.850 N/A ARG 101.A NH1 CYS 96.A O no hydrogen 3.358 N/A THR 102.A N ASP 98.A O no hydrogen 3.018 N/A THR 102.A OG1 ASP 98.A O no hydrogen 3.539 N/A LEU 103.A N PHE 99.A O no hydrogen 2.964 N/A GLY 104.A N ARG 101.A O no hydrogen 2.977 N/A VAL 105.A N SER 100.A O no hydrogen 2.928 N/A GLN 107.A NE2 SER 100.A OG no hydrogen 3.107 N/A GLN 107.A NE2 VAL 105.A O no hydrogen 2.966 N/A GLU 111.A N ASN 108.A OD1 no hydrogen 2.973 N/A ALA 112.A N ASN 108.A O no hydrogen 2.784 N/A ALA 113.A N ILE 109.A O no hydrogen 2.980 N/A LYS 114.A N ALA 110.A O no hydrogen 3.058 N/A LEU 115.A N GLU 111.A O no hydrogen 3.071 N/A ILE 116.A N ALA 112.A O no hydrogen 3.363 N/A ILE 116.A N ALA 113.A O no hydrogen 3.096 N/A THR 117.A N LYS 114.A O no hydrogen 2.978 N/A THR 117.A OG1 LYS 114.A O no hydrogen 2.559 N/A LYS 118.A N LEU 115.A O no hydrogen 2.894 N/A GLU 119.A N ILE 116.A O no hydrogen 3.017 N/A LYS 122.A N MET 286.A O no hydrogen 2.922 N/A LYS 122.A NZ ASP 213.A OD2 no hydrogen 2.996 N/A VAL 124.A N PHE 284.A O no hydrogen 2.746 N/A ASP 125.A N CYS 212.A O no hydrogen 2.878 N/A VAL 126.A N LEU 280.A O no hydrogen 2.978 N/A ALA 127.A N PHE 134.A O no hydrogen 2.928 N/A LYS 128.A N GLU 278.A O no hydrogen 2.954 N/A ALA 129.A N GLN 132.A O no hydrogen 2.719 N/A ASN 130.A N GLN 276.A O no hydrogen 2.842 N/A ASN 130.A ND2 PRO 274.A O no hydrogen 2.696 N/A GLN 132.A N ALA 129.A O no hydrogen 2.674 N/A PHE 134.A N ALA 127.A O no hydrogen 2.785 N/A LEU 135.A N ASP 266.A OD2 no hydrogen 2.750 N/A ASN 136.A N ASP 266.A OD1 no hydrogen 3.086 N/A ASN 136.A N ASP 266.A OD2 no hydrogen 3.181 N/A PHE 137.A N ASP 266.A OD1 no hydrogen 3.128 N/A TRP 138.A N VAL 194.A O no hydrogen 2.865 N/A GLY 139.A N ASP 264.A O no hydrogen 2.885 N/A ILE 140.A N VAL 192.A O no hydrogen 2.874 N/A SER 144.A N ASP 148.A OD2 no hydrogen 2.793 N/A ALA 149.A N ASN 145.A O no hydrogen 3.034 N/A GLU 150.A N ASN 146.A O no hydrogen 2.934 N/A GLU 151.A N ILE 147.A O no hydrogen 2.961 N/A LYS 152.A N ASP 148.A O no hydrogen 2.696 N/A ALA 153.A N ALA 149.A O no hydrogen 3.240 N/A LYS 154.A N GLU 150.A O no hydrogen 3.136 N/A LEU 155.A N GLU 151.A O no hydrogen 2.810 N/A GLY 156.A N LYS 152.A O no hydrogen 2.927 N/A TYR 160.A N GLY 156.A O no hydrogen 2.736 N/A TYR 161.A N LYS 157.A O no hydrogen 2.984 N/A LEU 162.A N ILE 158.A O no hydrogen 3.060 N/A SER 163.A N GLY 159.A O no hydrogen 3.064 N/A SER 163.A OG TYR 160.A O no hydrogen 2.756 N/A THR 164.A N TYR 160.A O no hydrogen 3.158 N/A THR 164.A N TYR 161.A O no hydrogen 3.249 N/A THR 164.A OG1 TYR 160.A O no hydrogen 3.152 N/A THR 164.A OG1 TYR 161.A O no hydrogen 3.401 N/A THR 167.A N THR 164.A O no hydrogen 3.005 N/A THR 167.A OG1 THR 164.A O no hydrogen 2.561 N/A VAL 168.A N ILE 165.A O no hydrogen 3.368 N/A THR 173.A OG1 GLU 188.A OE2 no hydrogen 2.744 N/A PHE 174.A N ALA 189.A O no hydrogen 2.795 N/A VAL 176.A N ASP 187.A O no hydrogen 2.908 N/A LYS 177.A N GLU 256.A O no hydrogen 2.740 N/A ILE 178.A N TYR 185.A O no hydrogen 2.733 N/A THR 179.A N HIS 254.A O no hydrogen 2.800 N/A TYR 180.A N GLN 183.A O no hydrogen 2.937 N/A ASP 181.A N SER 252.A O no hydrogen 3.140 N/A GLN 183.A N TYR 180.A O no hydrogen 3.088 N/A TYR 185.A N ILE 178.A O no hydrogen 2.862 N/A ASP 187.A N VAL 176.A O no hydrogen 3.143 N/A GLU 188.A N ASP 187.A OD1 no hydrogen 2.762 N/A ALA 189.A N PHE 174.A O no hydrogen 2.698 N/A VAL 190.A N VAL 222.A O no hydrogen 2.925 N/A LEU 191.A N VAL 222.A O no hydrogen 3.493 N/A VAL 192.A N ILE 140.A O no hydrogen 2.959 N/A MET 193.A N PHE 220.A O no hydrogen 2.892 N/A VAL 194.A N TRP 138.A O no hydrogen 2.750 N/A GLY 195.A N ASP 218.A O no hydrogen 2.859 N/A ASN 196.A N ASN 136.A O no hydrogen 2.885 N/A ASN 196.A ND2 ASP 125.A O no hydrogen 3.108 N/A ASN 196.A ND2 LEU 135.A O no hydrogen 2.874 N/A GLY 197.A N ASN 136.A O no hydrogen 2.908 N/A GLU 198.A N THR 102.A OG1 no hydrogen 2.943 N/A TYR 199.A N THR 102.A OG1 no hydrogen 3.275 N/A LEU 200.A N ILE 203.A O no hydrogen 2.961 N/A GLY 201.A N ASP 98.A OD2 no hydrogen 2.794 N/A GLY 202.A N ASP 98.A OD1 no hydrogen 2.731 N/A SER 205.A N GLU 198.A O no hydrogen 2.944 N/A SER 205.A OG ILE 207.A O no hydrogen 2.951 N/A ILE 207.A N SER 205.A OG no hydrogen 3.017 N/A CYS 212.A N GLU 198.A OE1 no hydrogen 3.022 N/A CYS 212.A SG GLU 198.A OE1 no hydrogen 3.613 N/A GLY 215.A N ASP 125.A OD2 no hydrogen 2.842 N/A THR 216.A N ASP 214.A OD1 no hydrogen 3.302 N/A LEU 217.A N ALA 250.A O no hydrogen 2.938 N/A ASP 218.A N GLY 195.A O no hydrogen 3.242 N/A ILE 219.A N VAL 248.A O no hydrogen 2.794 N/A PHE 220.A N MET 193.A O no hydrogen 2.967 N/A VAL 221.A N PHE 246.A O no hydrogen 2.726 N/A VAL 222.A N LEU 191.A O no hydrogen 2.960 N/A LYS 223.A N ASP 244.A O no hydrogen 3.224 N/A SER 224.A N GLU 188.A O no hydrogen 2.999 N/A SER 224.A OG GLU 188.A O no hydrogen 3.475 N/A GLY 226.A N LYS 223.A O no hydrogen 2.805 N/A PHE 230.A N GLY 226.A O no hydrogen 2.931 N/A LYS 231.A N ILE 227.A O no hydrogen 2.981 N/A LYS 231.A NZ VAL 168.A O no hydrogen 2.772 N/A ASP 232.A N GLN 228.A O no hydrogen 3.017 N/A TYR 233.A N ALA 229.A O no hydrogen 2.922 N/A TYR 233.A OH PHE 206.A O no hydrogen 2.522 N/A ILE 234.A N PHE 230.A O no hydrogen 2.816 N/A GLY 235.A N LYS 231.A O no hydrogen 2.988 N/A LYS 236.A N ASP 232.A O no hydrogen 2.956 N/A LYS 237.A N TYR 233.A O no hydrogen 3.276 N/A LYS 237.A N ILE 234.A O no hydrogen 3.325 N/A PHE 246.A N VAL 221.A O no hydrogen 2.917 N/A HIS 247.A ND1 ASP 241.A OD1 no hydrogen 2.858 N/A HIS 247.A NE2 ASP 218.A OD2 no hydrogen 2.696 N/A VAL 248.A N ILE 219.A O no hydrogen 3.020 N/A LYS 249.A NZ ASN 209.A O no hydrogen 3.080 N/A LYS 249.A NZ ASP 218.A OD1 no hydrogen 3.211 N/A LYS 249.A NZ ASP 218.A OD2 no hydrogen 2.602 N/A ALA 250.A N LEU 217.A O no hydrogen 2.933 N/A LYS 251.A N ASP 181.A OD1 no hydrogen 3.326 N/A LYS 251.A N ASP 181.A OD2 no hydrogen 3.090 N/A SER 252.A N ASP 181.A OD1 no hydrogen 2.973 N/A SER 252.A OG GLU 278.A OE1 no hydrogen 3.172 N/A SER 252.A OG GLU 278.A OE2 no hydrogen 2.829 N/A ILE 253.A N ILE 277.A O no hydrogen 2.896 N/A HIS 254.A N THR 179.A O no hydrogen 2.761 N/A ILE 255.A N CYS 275.A O no hydrogen 2.855 N/A GLU 256.A N LYS 177.A O no hydrogen 2.783 N/A THR 257.A OG1 GLU 259.A O no hydrogen 2.625 N/A THR 257.A OG1 THR 273.A OG1 no hydrogen 2.629 N/A LYS 261.A N THR 273.A OG1 no hydrogen 2.785 N/A VAL 263.A N LEU 271.A O no hydrogen 3.104 N/A ASP 264.A N GLY 139.A O no hydrogen 2.878 N/A THR 265.A OG1 PHE 137.A O no hydrogen 2.853 N/A THR 265.A OG1 ASP 266.A OD1 no hydrogen 3.561 N/A ASP 266.A N THR 265.A OG1 no hydrogen 2.622 N/A LEU 271.A N SER 269.A OG no hydrogen 3.007 N/A HIS 272.A ND1 THR 273.A O no hydrogen 2.896 N/A THR 273.A N LYS 261.A O no hydrogen 2.954 N/A THR 273.A OG1 THR 257.A OG1 no hydrogen 2.629 N/A THR 273.A OG1 LYS 261.A O no hydrogen 3.450 N/A CYS 275.A N ILE 255.A O no hydrogen 3.018 N/A CYS 275.A SG HIS 272.A O no hydrogen 3.398 N/A GLN 276.A N ASN 130.A OD1 no hydrogen 2.684 N/A GLN 276.A NE2 GLU 278.A OE1 no hydrogen 2.861 N/A ILE 277.A N ILE 253.A O no hydrogen 2.636 N/A GLU 278.A N LYS 128.A O no hydrogen 2.766 N/A LEU 280.A N VAL 126.A O no hydrogen 2.809 N/A GLY 282.A N ASP 125.A OD1 no hydrogen 2.991 N/A HIS 283.A NE2 ALA 80.A O no hydrogen 2.740 N/A PHE 284.A N VAL 124.A O no hydrogen 3.178 N/A THR 285.A OG1 THR 87.A OG1 no hydrogen 2.788 N/A MET 286.A N LYS 122.A O no hydrogen 2.930 N/A ILE 287.A N LEU 88.A O no hydrogen 3.046 N/A TYR 288.A N HIS 120.A O no hydrogen 2.906 N/A ASN 289.A N LEU 103.A O no hydrogen 2.884 N/A ASN 289.A ND2 GLY 104.A O no hydrogen 2.906 N/A ALA 291.A N ASN 289.A OD1 no hydrogen 3.363 N/A VAL 292.A N ASN 289.A O no hydrogen 3.349 N/A