Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N ASN 60.A OD1 no hydrogen 3.151 N/A SER 5.A OG ASP 3.A OD2 no hydrogen 3.251 N/A SER 6.A N ASP 3.A O no hydrogen 3.211 N/A SER 6.A OG ASP 3.A O no hydrogen 3.058 N/A SER 6.A OG ASP 3.A OD1 no hydrogen 2.917 N/A SER 6.A OG ASP 3.A OD2 no hydrogen 3.496 N/A ALA 11.A N ASP 9.A OD2 no hydrogen 2.993 N/A ILE 13.A N PRO 10.A O no hydrogen 2.836 N/A PHE 14.A N PRO 10.A O no hydrogen 2.903 N/A GLU 15.A N ARG 32.A O no hydrogen 2.956 N/A VAL 17.A N LYS 30.A O no hydrogen 2.858 N/A GLU 18.A N LYS 30.A O no hydrogen 3.483 N/A VAL 20.A N VAL 28.A O no hydrogen 2.897 N/A GLY 21.A N VAL 28.A O no hydrogen 3.265 N/A GLY 23.A N GLY 26.A O no hydrogen 2.865 N/A THR 24.A N ASP 157.A OD1 no hydrogen 3.246 N/A THR 24.A OG1 ASP 157.A OD2 no hydrogen 3.564 N/A TYR 25.A OH THR 163.A OG1 no hydrogen 3.265 N/A GLN 27.A N VAL 44.A O no hydrogen 3.266 N/A GLN 27.A NE2 ASN 22.A OD1 no hydrogen 2.851 N/A VAL 28.A N GLY 21.A O no hydrogen 3.190 N/A TYR 29.A N ILE 42.A O no hydrogen 2.685 N/A LYS 30.A N GLU 18.A O no hydrogen 2.914 N/A GLY 31.A N ALA 40.A O no hydrogen 2.638 N/A ARG 32.A N GLU 15.A O no hydrogen 2.841 N/A ARG 32.A NH2 GLU 15.A OE2 no hydrogen 2.928 N/A HIS 33.A N GLN 38.A O no hydrogen 2.754 N/A HIS 33.A ND1 THR 36.A OG1 no hydrogen 2.735 N/A VAL 34.A N ILE 13.A O no hydrogen 2.981 N/A THR 36.A N HIS 33.A O no hydrogen 3.198 N/A THR 36.A OG1 HIS 33.A ND1 no hydrogen 2.735 N/A GLY 37.A N HIS 33.A O no hydrogen 2.634 N/A GLN 38.A N THR 36.A OG1 no hydrogen 3.263 N/A ALA 40.A N GLY 31.A O no hydrogen 3.033 N/A ALA 41.A N MET 91.A O no hydrogen 2.829 N/A ILE 42.A N TYR 29.A O no hydrogen 2.838 N/A LYS 43.A N LEU 89.A O no hydrogen 2.808 N/A LYS 43.A NZ GLU 58.A OE1 no hydrogen 2.564 N/A LYS 43.A NZ GLU 58.A OE2 no hydrogen 3.362 N/A LYS 43.A NZ ASP 157.A OD2 no hydrogen 3.199 N/A VAL 44.A N GLN 27.A O no hydrogen 2.760 N/A MET 45.A N LEU 87.A O no hydrogen 3.012 N/A VAL 47.A N ASP 85.A O no hydrogen 2.729 N/A GLU 51.A N THR 48.A OG1 no hydrogen 3.425 N/A ILE 55.A N GLU 51.A O no hydrogen 3.219 N/A LYS 56.A N GLU 52.A O no hydrogen 3.413 N/A LEU 57.A N GLU 53.A O no hydrogen 3.220 N/A GLU 58.A N GLU 54.A O no hydrogen 3.363 N/A ILE 59.A N ILE 55.A O no hydrogen 3.230 N/A ASN 60.A N LYS 56.A O no hydrogen 3.330 N/A MET 61.A N LEU 57.A O no hydrogen 3.078 N/A LEU 62.A N GLU 58.A O no hydrogen 3.208 N/A LYS 63.A N ILE 59.A O no hydrogen 2.791 N/A LYS 64.A N ASN 60.A O no hydrogen 3.101 N/A LYS 64.A NZ TYR 65.A OH no hydrogen 3.184 N/A TYR 65.A N MET 61.A O no hydrogen 2.864 N/A SER 66.A OG LEU 62.A O no hydrogen 2.592 N/A ARG 69.A NH2 GLU 152.A OE1 no hydrogen 3.534 N/A ASN 70.A N HIS 68.A ND1 no hydrogen 2.948 N/A ASN 70.A ND2 GLU 122.A OE2 no hydrogen 3.128 N/A ASN 70.A ND2 VAL 153.A O no hydrogen 2.953 N/A ILE 71.A N HIS 68.A O no hydrogen 2.970 N/A ALA 72.A N LEU 155.A O no hydrogen 3.142 N/A THR 73.A N GLU 92.A OE1 no hydrogen 3.104 N/A THR 73.A OG1 GLU 92.A OE1 no hydrogen 3.184 N/A TYR 74.A N SER 66.A OG no hydrogen 3.050 N/A TYR 75.A N VAL 90.A O no hydrogen 2.695 N/A GLY 76.A N VAL 90.A O no hydrogen 3.222 N/A PHE 78.A N TRP 88.A O no hydrogen 2.861 N/A ILE 79.A N ARG 8.A O no hydrogen 2.924 N/A LYS 80.A N GLN 86.A O no hydrogen 2.796 N/A SER 82.A N ASP 85.A OD1 no hydrogen 3.411 N/A SER 82.A OG LYS 80.A O no hydrogen 3.542 N/A GLN 86.A N LYS 80.A O no hydrogen 3.355 N/A LEU 87.A N MET 45.A O no hydrogen 2.763 N/A TRP 88.A N PHE 78.A O no hydrogen 2.534 N/A LEU 89.A N LYS 43.A O no hydrogen 2.911 N/A VAL 90.A N GLY 76.A O no hydrogen 2.853 N/A MET 91.A N ALA 41.A O no hydrogen 2.911 N/A GLU 92.A N THR 73.A O no hydrogen 2.757 N/A ALA 96.A N LEU 147.A O no hydrogen 2.827 N/A GLY 97.A N CYS 94.A O no hydrogen 3.487 N/A SER 98.A N ASP 101.A OD2 no hydrogen 2.991 N/A SER 98.A OG GLN 143.A OE1 no hydrogen 2.770 N/A ILE 99.A N VAL 145.A O no hydrogen 2.870 N/A THR 100.A N GLY 142.A O no hydrogen 3.400 N/A THR 100.A OG1 GLU 201.A OE2 no hydrogen 2.670 N/A ASP 101.A N SER 98.A OG no hydrogen 2.973 N/A LEU 102.A N SER 98.A O no hydrogen 3.001 N/A VAL 103.A N.A ILE 99.A O no hydrogen 2.979 N/A VAL 103.A N.B ILE 99.A O no hydrogen 2.980 N/A LYS 104.A N THR 100.A O no hydrogen 3.131 N/A ASN 105.A N LEU 102.A O no hydrogen 3.173 N/A THR 106.A N VAL 103.A O.A no hydrogen 3.188 N/A THR 106.A N VAL 103.A O.B no hydrogen 3.341 N/A THR 106.A OG1 LEU 102.A O no hydrogen 2.596 N/A ASN 109.A N THR 106.A O no hydrogen 3.148 N/A THR 110.A OG1 LEU 111.A O no hydrogen 3.555 N/A THR 110.A OG1 ALA 203.A O no hydrogen 3.016 N/A LEU 111.A N MET 202.A O no hydrogen 3.048 N/A LYS 112.A NZ ASP 114.A OD1 no hydrogen 2.468 N/A LYS 112.A NZ ASP 114.A OD2 no hydrogen 3.241 N/A LYS 112.A NZ GLN 277.A OE1 no hydrogen 3.189 N/A TRP 115.A N LYS 112.A O no hydrogen 2.728 N/A TRP 115.A NE1 GLN 277.A OE1 no hydrogen 2.844 N/A ILE 116.A N LYS 112.A O no hydrogen 3.162 N/A ALA 117.A N GLU 113.A O no hydrogen 3.042 N/A TYR 118.A N ASP 114.A O no hydrogen 3.311 N/A TYR 118.A OH ALA 151.A O no hydrogen 3.017 N/A ILE 119.A N TRP 115.A O no hydrogen 2.966 N/A SER 120.A N ILE 116.A O no hydrogen 2.899 N/A SER 120.A OG ILE 116.A O no hydrogen 2.657 N/A ARG 121.A N ALA 117.A O no hydrogen 3.214 N/A ARG 121.A NE GLU 122.A OE1 no hydrogen 3.178 N/A ARG 121.A NH1 GLU 271.A OE2 no hydrogen 3.269 N/A ARG 121.A NH2 GLU 122.A OE1 no hydrogen 3.302 N/A ARG 121.A NH2 GLU 271.A OE1 no hydrogen 2.572 N/A GLU 122.A N TYR 118.A O no hydrogen 3.053 N/A ILE 123.A N ILE 119.A O no hydrogen 3.037 N/A LEU 124.A N SER 120.A O no hydrogen 2.870 N/A ARG 125.A N ARG 121.A O no hydrogen 2.863 N/A GLY 126.A N GLU 122.A O no hydrogen 3.167 N/A LEU 127.A N ILE 123.A O no hydrogen 2.924 N/A ALA 128.A N LEU 124.A O no hydrogen 2.846 N/A HIS 129.A N ARG 125.A O no hydrogen 3.088 N/A LEU 130.A N GLY 126.A O no hydrogen 3.217 N/A HIS 131.A N LEU 127.A O no hydrogen 2.866 N/A HIS 131.A ND1 THR 256.A OG1 no hydrogen 2.675 N/A HIS 131.A NE2 ASP 191.A OD1 no hydrogen 2.978 N/A ILE 132.A N ALA 128.A O no hydrogen 2.956 N/A HIS 133.A N LEU 130.A O no hydrogen 3.023 N/A HIS 134.A N HIS 131.A O no hydrogen 2.927 N/A VAL 135.A N LEU 130.A O no hydrogen 2.796 N/A HIS 137.A N ASP 191.A OD1 no hydrogen 2.911 N/A HIS 137.A NE2 VAL 156.A O no hydrogen 2.775 N/A ARG 138.A N ASP 191.A OD2 no hydrogen 2.908 N/A ARG 138.A NH2 ARG 138.A O no hydrogen 3.420 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 2.872 N/A LYS 141.A NZ ASP 139.A OD2 no hydrogen 3.567 N/A GLY 142.A N GLU 201.A OE1 no hydrogen 3.066 N/A ASN 144.A N LYS 141.A O no hydrogen 2.959 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.810 N/A ASN 144.A ND2 ASP 139.A OD2 no hydrogen 3.244 N/A VAL 145.A N GLY 142.A O no hydrogen 3.385 N/A LEU 146.A N LYS 154.A O no hydrogen 2.885 N/A LEU 147.A N GLY 97.A O no hydrogen 2.886 N/A THR 148.A N GLU 152.A O no hydrogen 2.964 N/A ASN 150.A N THR 148.A OG1 no hydrogen 3.287 N/A ALA 151.A N THR 148.A O no hydrogen 3.044 N/A GLU 152.A N THR 148.A OG1 no hydrogen 3.198 N/A LYS 154.A N LEU 146.A O no hydrogen 2.906 N/A LYS 154.A NZ ARG 69.A O no hydrogen 2.692 N/A LYS 154.A NZ GLU 92.A OE2 no hydrogen 3.344 N/A LEU 155.A N ASN 70.A O no hydrogen 2.713 N/A VAL 156.A N ASN 144.A O no hydrogen 3.080 N/A GLY 159.A N ASP 157.A OD2 no hydrogen 2.942 N/A SER 161.A N PHE 158.A O no hydrogen 3.345 N/A SER 161.A OG HIS 137.A O no hydrogen 2.826 N/A THR 163.A N TYR 25.A OH no hydrogen 2.565 N/A THR 163.A OG1 TYR 25.A OH no hydrogen 3.265 N/A PHE 164.A N TYR 25.A OH no hydrogen 2.828 N/A TYR 169.A OH MET 212.A O no hydrogen 2.859 N/A TRP 170.A NE1 GLU 201.A OE1 no hydrogen 3.141 N/A MET 171.A N PRO 168.A O no hydrogen 2.907 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.912 N/A VAL 175.A N ALA 172.A O no hydrogen 3.261 N/A ILE 176.A N PRO 173.A O no hydrogen 3.350 N/A CYS 178.A N ASN 181.A O no hydrogen 3.216 N/A CYS 178.A SG GLU 180.A OE1 no hydrogen 3.480 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.645 N/A ASN 181.A N CYS 178.A O no hydrogen 2.906 N/A ASN 181.A ND2 GLU 174.A O no hydrogen 3.246 N/A ASN 181.A ND2 ILE 176.A O no hydrogen 3.601 N/A ALA 184.A N ASN 181.A O no hydrogen 3.235 N/A ARG 189.A N ASP 187.A OD1 no hydrogen 2.769 N/A ARG 189.A NE ASP 187.A OD1 no hydrogen 3.247 N/A ARG 189.A NE ASP 187.A OD2 no hydrogen 3.320 N/A ARG 189.A NH1 ASP 187.A OD2 no hydrogen 2.935 N/A ARG 189.A NH2 MET 251.A O no hydrogen 3.083 N/A ARG 189.A NH2 ARG 253.A O no hydrogen 3.241 N/A SER 190.A N ASP 187.A O no hydrogen 3.184 N/A SER 190.A OG GLU 174.A OE2 no hydrogen 3.265 N/A SER 190.A OG ASP 187.A O no hydrogen 3.218 N/A ASP 191.A N TYR 188.A O.A no hydrogen 3.197 N/A ASP 191.A N TYR 188.A O.B no hydrogen 3.067 N/A LEU 192.A N ARG 189.A O no hydrogen 3.071 N/A TRP 193.A N ARG 189.A O no hydrogen 3.412 N/A SER 194.A N SER 190.A O no hydrogen 3.351 N/A SER 194.A OG TRP 170.A O no hydrogen 2.765 N/A SER 194.A OG SER 190.A O no hydrogen 3.229 N/A CYS 195.A N ASP 191.A O no hydrogen 2.882 N/A GLY 196.A N LEU 192.A O no hydrogen 2.957 N/A ILE 197.A N TRP 193.A O no hydrogen 3.016 N/A THR 198.A N SER 194.A O no hydrogen 2.919 N/A THR 198.A OG1 SER 194.A O no hydrogen 2.786 N/A ALA 199.A N CYS 195.A O no hydrogen 2.868 N/A ILE 200.A N GLY 196.A O no hydrogen 2.964 N/A GLU 201.A N ILE 197.A O no hydrogen 2.773 N/A MET 202.A N THR 198.A O no hydrogen 2.919 N/A ALA 203.A N ALA 199.A O no hydrogen 2.939 N/A GLU 204.A N ILE 200.A O no hydrogen 2.796 N/A GLY 205.A N GLU 201.A O no hydrogen 2.783 N/A CYS 210.A SG ASP 211.A OD1 no hydrogen 3.749 N/A MET 212.A N LEU 209.A O no hydrogen 2.871 N/A MET 215.A N HIS 213.A ND1 no hydrogen 3.014 N/A ALA 217.A N HIS 213.A O no hydrogen 2.871 N/A LEU 218.A N PRO 214.A O no hydrogen 3.042 N/A PHE 219.A N MET 215.A O no hydrogen 3.323 N/A LEU 220.A N ARG 216.A O no hydrogen 3.055 N/A ILE 221.A N ALA 217.A O no hydrogen 2.950 N/A ARG 223.A N LEU 220.A O no hydrogen 2.758 N/A ASN 224.A N LEU 220.A O no hydrogen 2.790 N/A LYS 230.A N GLU 204.A OE2 no hydrogen 2.580 N/A LYS 233.A N SER 231.A OG no hydrogen 3.096 N/A SER 235.A N GLU 113.A OE1 no hydrogen 3.037 N/A SER 235.A OG GLU 113.A OE2 no hydrogen 2.381 N/A LYS 237.A NZ ASP 267.A OD2 no hydrogen 3.185 N/A PHE 238.A N SER 235.A OG no hydrogen 3.123 N/A PHE 239.A N SER 235.A O no hydrogen 3.333 N/A SER 240.A N LYS 236.A O no hydrogen 3.176 N/A SER 240.A OG HIS 262.A NE2 no hydrogen 2.852 N/A PHE 241.A N LYS 237.A O no hydrogen 2.963 N/A ILE 242.A N PHE 238.A O no hydrogen 2.936 N/A GLU 243.A N PHE 239.A O no hydrogen 2.918 N/A GLY 244.A N SER 240.A O no hydrogen 3.046 N/A CYS 245.A N PHE 241.A O no hydrogen 3.015 N/A CYS 245.A SG PHE 241.A O no hydrogen 3.535 N/A LEU 246.A N ILE 242.A O no hydrogen 3.107 N/A LYS 248.A NZ PRO 222.A O no hydrogen 2.954 N/A LYS 248.A NZ ASN 224.A O no hydrogen 2.823 N/A MET 251.A N ASN 249.A OD1 no hydrogen 3.054 N/A GLN 252.A N ASN 249.A O no hydrogen 3.123 N/A ARG 253.A N TYR 250.A O no hydrogen 3.124 N/A ARG 253.A NE VAL 247.A O no hydrogen 2.963 N/A ARG 253.A NH1 GLU 174.A OE2 no hydrogen 2.717 N/A ARG 253.A NH1 ARG 189.A O no hydrogen 2.892 N/A ARG 253.A NH2 GLU 174.A OE1 no hydrogen 2.951 N/A ARG 253.A NH2 GLU 174.A OE2 no hydrogen 3.537 N/A ARG 253.A NH2 VAL 247.A O no hydrogen 2.967 N/A ARG 253.A NH2 LYS 248.A O no hydrogen 3.307 N/A SER 255.A OG GLU 257.A OE1 no hydrogen 3.424 N/A THR 256.A OG1 HIS 131.A ND1 no hydrogen 2.675 N/A GLN 258.A N SER 255.A OG no hydrogen 3.239 N/A GLN 258.A NE2 SER 255.A OG no hydrogen 3.198 N/A LEU 259.A N SER 255.A O no hydrogen 3.062 N/A LEU 260.A N THR 256.A O no hydrogen 3.092 N/A LYS 261.A N GLU 257.A O no hydrogen 3.304 N/A LYS 261.A N GLN 258.A O no hydrogen 3.089 N/A HIS 262.A N LEU 259.A O no hydrogen 3.077 N/A HIS 262.A NE2 SER 240.A OG no hydrogen 2.852 N/A PHE 264.A N HIS 262.A ND1 no hydrogen 3.211 N/A ILE 265.A N HIS 262.A O no hydrogen 2.643 N/A ARG 266.A N HIS 262.A O no hydrogen 2.643 N/A ARG 266.A NE ASP 267.A OD1 no hydrogen 2.630 N/A ARG 266.A NH2 ASP 267.A OD1 no hydrogen 3.143 N/A ARG 266.A NH2 ASP 267.A OD2 no hydrogen 3.132 N/A ASP 267.A N PRO 263.A O no hydrogen 2.829 N/A GLN 268.A NE2 ALA 117.A O no hydrogen 2.759 N/A GLN 268.A NE2 ILE 265.A O no hydrogen 2.974 N/A GLN 273.A N GLN 273.A OE1 no hydrogen 2.562 N/A VAL 274.A N ASN 270.A O no hydrogen 2.859 N/A ARG 275.A N GLU 271.A O no hydrogen 3.071 N/A ARG 275.A NH1 GLU 271.A OE1 no hydrogen 3.034 N/A GLN 277.A N GLN 273.A O no hydrogen 2.905 N/A LEU 278.A N VAL 274.A O no hydrogen 2.781 N/A LYS 279.A N ARG 275.A O no hydrogen 2.968 N/A ASP 280.A N ILE 276.A O no hydrogen 2.907 N/A HIS 281.A N GLN 277.A O no hydrogen 2.944 N/A ILE 282.A N LEU 278.A O no hydrogen 3.005 N/A ASP 283.A N LYS 279.A O no hydrogen 3.167 N/A ARG 284.A N ASP 280.A O no hydrogen 2.951 N/A THR 285.A N ILE 282.A O no hydrogen 3.414 N/A THR 285.A OG1 HIS 281.A O no hydrogen 2.779 N/A ARG 286.A N ILE 282.A O no hydrogen 3.261 N/A