Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG ASP 3.A OD2 no hydrogen 3.174 N/A SER 6.A N ASP 3.A O no hydrogen 3.317 N/A SER 6.A OG ASP 3.A O no hydrogen 2.834 N/A SER 6.A OG ASP 3.A OD1 no hydrogen 3.274 N/A ALA 11.A N ASP 9.A OD2 no hydrogen 3.189 N/A ILE 13.A N PRO 10.A O no hydrogen 2.911 N/A PHE 14.A N PRO 10.A O no hydrogen 2.906 N/A GLU 15.A N ARG 32.A O no hydrogen 3.053 N/A VAL 17.A N LYS 30.A O no hydrogen 2.781 N/A VAL 20.A N VAL 28.A O no hydrogen 2.769 N/A GLY 23.A N GLY 26.A O no hydrogen 2.866 N/A THR 24.A OG1 ASP 158.A OD1 no hydrogen 3.501 N/A THR 24.A OG1 ASP 158.A OD2 no hydrogen 3.358 N/A TYR 25.A OH GLY 160.A O no hydrogen 2.998 N/A VAL 28.A N GLY 21.A O no hydrogen 2.890 N/A TYR 29.A N ILE 42.A O no hydrogen 2.766 N/A LYS 30.A N GLU 18.A O no hydrogen 2.793 N/A LYS 30.A NZ GLU 18.A OE1 no hydrogen 3.417 N/A GLY 31.A N ALA 40.A O no hydrogen 2.647 N/A ARG 32.A N GLU 15.A O no hydrogen 2.885 N/A ARG 32.A NE GLU 15.A OE2 no hydrogen 2.830 N/A ARG 32.A NH2 GLU 15.A OE2 no hydrogen 3.024 N/A HIS 33.A N GLN 38.A O no hydrogen 2.752 N/A HIS 33.A ND1 THR 36.A OG1 no hydrogen 2.762 N/A VAL 34.A N ILE 13.A O no hydrogen 3.147 N/A THR 36.A N HIS 33.A O no hydrogen 3.155 N/A THR 36.A OG1 HIS 33.A ND1 no hydrogen 2.762 N/A GLY 37.A N HIS 33.A O no hydrogen 2.686 N/A GLN 38.A N THR 36.A OG1 no hydrogen 3.335 N/A ALA 40.A N GLY 31.A O no hydrogen 3.112 N/A ALA 41.A N MET 92.A O no hydrogen 2.755 N/A ILE 42.A N TYR 29.A O no hydrogen 2.896 N/A LYS 43.A N LEU 90.A O no hydrogen 2.798 N/A LYS 43.A NZ GLU 58.A OE1 no hydrogen 2.809 N/A LYS 43.A NZ GLU 58.A OE2 no hydrogen 2.850 N/A LYS 43.A NZ ASP 158.A OD1 no hydrogen 3.028 N/A VAL 44.A N GLN 27.A O no hydrogen 2.906 N/A MET 45.A N LEU 88.A O no hydrogen 2.950 N/A VAL 47.A N ASP 86.A O no hydrogen 3.193 N/A THR 48.A OG1 GLU 49.A O no hydrogen 3.496 N/A THR 48.A OG1 GLU 51.A OE2 no hydrogen 3.331 N/A GLU 51.A N GLU 49.A O no hydrogen 2.790 N/A GLU 53.A N ASP 50.A O no hydrogen 3.311 N/A GLU 54.A N ASP 50.A O no hydrogen 3.441 N/A ILE 55.A N GLU 51.A O no hydrogen 2.791 N/A LYS 56.A NZ GLU 52.A O no hydrogen 3.332 N/A LYS 56.A NZ GLU 53.A OE1 no hydrogen 2.807 N/A LEU 57.A N GLU 53.A O no hydrogen 3.145 N/A ILE 59.A N ILE 55.A O no hydrogen 3.445 N/A MET 61.A N LEU 57.A O no hydrogen 3.154 N/A LEU 62.A N GLU 58.A O no hydrogen 2.927 N/A LYS 63.A N ILE 59.A O no hydrogen 2.936 N/A LYS 63.A NZ ASP 1.A O no hydrogen 3.483 N/A LYS 64.A N ASN 60.A O no hydrogen 3.268 N/A TYR 65.A N MET 61.A O no hydrogen 2.812 N/A SER 66.A OG LEU 62.A O no hydrogen 2.641 N/A ARG 69.A NH1 GLU 153.A OE1 no hydrogen 3.194 N/A ARG 69.A NH2 GLU 123.A OE2 no hydrogen 3.155 N/A ASN 70.A N HIS 68.A ND1 no hydrogen 2.887 N/A ASN 70.A ND2 GLU 123.A OE2 no hydrogen 3.016 N/A ASN 70.A ND2 VAL 154.A O no hydrogen 2.805 N/A ILE 71.A N HIS 68.A O no hydrogen 3.092 N/A ALA 72.A N LEU 156.A O no hydrogen 3.073 N/A THR 73.A N GLU 93.A OE1 no hydrogen 3.011 N/A THR 73.A OG1 GLU 93.A OE1 no hydrogen 3.282 N/A TYR 74.A N SER 66.A OG no hydrogen 3.018 N/A TYR 75.A N VAL 91.A O no hydrogen 2.798 N/A GLY 76.A N VAL 91.A O no hydrogen 3.132 N/A PHE 78.A N TRP 89.A O no hydrogen 2.942 N/A ILE 79.A N ARG 8.A O no hydrogen 2.970 N/A LYS 80.A N GLN 87.A O no hydrogen 2.820 N/A LYS 81.A NZ LEU 7.A O no hydrogen 2.886 N/A LYS 81.A NZ ILE 79.A O no hydrogen 2.955 N/A SER 82.A N ASP 86.A OD2 no hydrogen 3.057 N/A SER 82.A OG LYS 80.A O no hydrogen 3.468 N/A GLN 87.A N LYS 80.A O no hydrogen 3.404 N/A LEU 88.A N MET 45.A O no hydrogen 2.802 N/A TRP 89.A N PHE 78.A O no hydrogen 2.834 N/A LEU 90.A N LYS 43.A O no hydrogen 2.826 N/A VAL 91.A N GLY 76.A O no hydrogen 2.798 N/A MET 92.A N ALA 41.A O no hydrogen 2.943 N/A GLU 93.A N THR 73.A O no hydrogen 2.818 N/A ALA 97.A N LEU 148.A O no hydrogen 3.116 N/A GLY 98.A N CYS 95.A O no hydrogen 3.330 N/A SER 99.A N ASP 102.A OD2 no hydrogen 2.884 N/A ILE 100.A N GLY 143.A O no hydrogen 3.259 N/A ILE 100.A N VAL 146.A O no hydrogen 2.815 N/A THR 101.A OG1 GLU 203.A OE2 no hydrogen 2.780 N/A ASP 102.A N SER 99.A OG no hydrogen 3.030 N/A LEU 103.A N SER 99.A O no hydrogen 3.132 N/A VAL 104.A N ILE 100.A O no hydrogen 3.122 N/A LYS 105.A N THR 101.A O no hydrogen 3.058 N/A LYS 105.A NZ ASP 102.A OD1 no hydrogen 3.336 N/A ASN 106.A N ASP 102.A O no hydrogen 2.970 N/A ASN 106.A N LEU 103.A O no hydrogen 2.994 N/A THR 107.A N VAL 104.A O no hydrogen 3.252 N/A THR 107.A OG1 LEU 103.A O no hydrogen 2.697 N/A ASN 110.A N THR 107.A O no hydrogen 3.038 N/A THR 111.A OG1 LEU 112.A O no hydrogen 3.504 N/A THR 111.A OG1 ALA 205.A O no hydrogen 2.841 N/A LEU 112.A N MET 204.A O no hydrogen 2.945 N/A LYS 113.A NZ ASP 115.A OD1 no hydrogen 2.824 N/A LYS 113.A NZ GLN 279.A OE1 no hydrogen 3.094 N/A TRP 116.A N LYS 113.A O no hydrogen 2.956 N/A TRP 116.A NE1 GLN 279.A OE1 no hydrogen 2.901 N/A ILE 117.A N LYS 113.A O no hydrogen 3.211 N/A ALA 118.A N GLU 114.A O no hydrogen 2.909 N/A TYR 119.A N ASP 115.A O no hydrogen 3.088 N/A TYR 119.A OH ALA 152.A O no hydrogen 3.311 N/A ILE 120.A N TRP 116.A O no hydrogen 2.912 N/A SER 121.A N ILE 117.A O no hydrogen 2.907 N/A SER 121.A OG ILE 117.A O no hydrogen 2.729 N/A ARG 122.A N ALA 118.A O no hydrogen 3.263 N/A ARG 122.A NE GLU 123.A OE1 no hydrogen 3.000 N/A ARG 122.A NH2 GLU 123.A OE1 no hydrogen 3.067 N/A ARG 122.A NH2 GLU 273.A OE1 no hydrogen 3.023 N/A GLU 123.A N TYR 119.A O no hydrogen 3.184 N/A ILE 124.A N ILE 120.A O no hydrogen 3.019 N/A LEU 125.A N SER 121.A O no hydrogen 2.820 N/A ARG 126.A N ARG 122.A O no hydrogen 2.853 N/A ARG 126.A NH1 GLU 123.A OE1 no hydrogen 3.293 N/A GLY 127.A N GLU 123.A O no hydrogen 3.081 N/A LEU 128.A N ILE 124.A O no hydrogen 2.876 N/A ALA 129.A N LEU 125.A O no hydrogen 2.791 N/A HIS 130.A N ARG 126.A O no hydrogen 3.249 N/A HIS 130.A NE2 HIS 67.A NE2 no hydrogen 3.002 N/A LEU 131.A N GLY 127.A O no hydrogen 3.195 N/A HIS 132.A N LEU 128.A O no hydrogen 2.816 N/A HIS 132.A ND1 THR 258.A OG1 no hydrogen 2.740 N/A HIS 132.A NE2 ASP 193.A OD1 no hydrogen 2.859 N/A ILE 133.A N ALA 129.A O no hydrogen 2.968 N/A HIS 134.A ND1 HIS 130.A O no hydrogen 3.058 N/A HIS 135.A N HIS 132.A O no hydrogen 3.096 N/A VAL 136.A N LEU 131.A O no hydrogen 2.913 N/A ILE 137.A N ALA 163.A O no hydrogen 2.956 N/A HIS 138.A N ASP 193.A OD1 no hydrogen 2.884 N/A HIS 138.A NE2 VAL 157.A O no hydrogen 2.772 N/A ARG 139.A N ASP 193.A OD2 no hydrogen 2.904 N/A ARG 139.A NE VAL 161.A O no hydrogen 2.812 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 2.990 N/A LYS 142.A NZ ASP 140.A OD1 no hydrogen 3.541 N/A LYS 142.A NZ ASP 140.A OD2 no hydrogen 3.353 N/A GLY 143.A N GLU 203.A OE1 no hydrogen 2.968 N/A ASN 145.A N LYS 142.A O no hydrogen 2.977 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.776 N/A VAL 146.A N GLY 143.A O no hydrogen 3.385 N/A LEU 147.A N LYS 155.A O no hydrogen 2.973 N/A LEU 148.A N GLY 98.A O no hydrogen 2.838 N/A THR 149.A N GLU 153.A O no hydrogen 3.073 N/A ALA 152.A N THR 149.A O no hydrogen 3.243 N/A GLU 153.A N THR 149.A OG1 no hydrogen 3.050 N/A LYS 155.A N LEU 147.A O no hydrogen 2.938 N/A LYS 155.A NZ ARG 69.A O no hydrogen 2.816 N/A LYS 155.A NZ GLU 93.A OE2 no hydrogen 3.426 N/A LEU 156.A N ASN 70.A O no hydrogen 2.778 N/A VAL 157.A N ASN 145.A O no hydrogen 3.214 N/A GLY 160.A N ASP 158.A OD1 no hydrogen 2.849 N/A SER 162.A OG HIS 138.A O no hydrogen 2.779 N/A ALA 163.A N ILE 137.A O no hydrogen 3.233 N/A TYR 171.A OH MET 214.A O no hydrogen 2.925 N/A TRP 172.A NE1 GLU 203.A OE1 no hydrogen 3.034 N/A MET 173.A N PRO 170.A O no hydrogen 3.024 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.851 N/A VAL 177.A N ALA 174.A O no hydrogen 3.132 N/A ILE 178.A N PRO 175.A O no hydrogen 3.315 N/A CYS 180.A N ASN 183.A O no hydrogen 3.076 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.787 N/A ASN 183.A N CYS 180.A O no hydrogen 2.896 N/A ASN 183.A ND2 GLU 176.A O no hydrogen 2.910 N/A ASN 183.A ND2 ILE 178.A O no hydrogen 3.099 N/A THR 187.A OG1 ASN 183.A OD1 no hydrogen 3.557 N/A THR 187.A OG1 ALA 186.A O no hydrogen 2.772 N/A TYR 188.A OH ARG 139.A O no hydrogen 3.395 N/A ARG 191.A N ASP 189.A OD1 no hydrogen 2.858 N/A ARG 191.A NE ASP 189.A OD1 no hydrogen 3.304 N/A ARG 191.A NH1 MET 253.A O no hydrogen 3.364 N/A ARG 191.A NH1 ARG 255.A O no hydrogen 3.087 N/A SER 192.A N ASP 189.A O no hydrogen 3.153 N/A SER 192.A OG GLU 176.A OE2 no hydrogen 2.891 N/A SER 192.A OG ASP 189.A O no hydrogen 3.047 N/A ASP 193.A N TYR 190.A O no hydrogen 3.119 N/A LEU 194.A N ARG 191.A O no hydrogen 3.098 N/A TRP 195.A N ARG 191.A O no hydrogen 3.371 N/A SER 196.A N SER 192.A O no hydrogen 3.346 N/A SER 196.A OG TRP 172.A O no hydrogen 2.734 N/A SER 196.A OG SER 192.A O no hydrogen 3.092 N/A CYS 197.A N ASP 193.A O no hydrogen 2.856 N/A GLY 198.A N LEU 194.A O no hydrogen 3.032 N/A ILE 199.A N TRP 195.A O no hydrogen 3.042 N/A THR 200.A N SER 196.A O no hydrogen 2.938 N/A THR 200.A OG1 SER 196.A O no hydrogen 2.714 N/A ALA 201.A N CYS 197.A O no hydrogen 3.028 N/A ILE 202.A N GLY 198.A O no hydrogen 3.094 N/A GLU 203.A N ILE 199.A O no hydrogen 2.900 N/A MET 204.A N THR 200.A O no hydrogen 2.970 N/A ALA 205.A N ALA 201.A O no hydrogen 3.072 N/A GLU 206.A N ILE 202.A O no hydrogen 2.774 N/A GLY 207.A N GLU 203.A O no hydrogen 2.777 N/A CYS 212.A N PRO 209.A O no hydrogen 3.352 N/A CYS 212.A SG ASP 213.A OD2 no hydrogen 3.891 N/A MET 214.A N LEU 211.A O no hydrogen 2.920 N/A MET 217.A N HIS 215.A ND1 no hydrogen 3.139 N/A ALA 219.A N HIS 215.A O no hydrogen 2.997 N/A LEU 220.A N PRO 216.A O no hydrogen 3.018 N/A PHE 221.A N MET 217.A O no hydrogen 3.238 N/A LEU 222.A N ARG 218.A O no hydrogen 2.900 N/A ILE 223.A N ALA 219.A O no hydrogen 2.871 N/A ARG 225.A N LEU 222.A O no hydrogen 2.914 N/A ARG 225.A NH1 PHE 221.A O no hydrogen 2.739 N/A ASN 226.A N LEU 222.A O no hydrogen 2.726 N/A LYS 232.A N GLU 206.A OE2 no hydrogen 2.769 N/A LYS 232.A NZ GLU 206.A OE1 no hydrogen 3.537 N/A LYS 234.A NZ LYS 232.A O no hydrogen 2.950 N/A LYS 235.A N SER 233.A OG no hydrogen 3.194 N/A SER 237.A N GLU 114.A OE1 no hydrogen 2.767 N/A SER 237.A OG GLU 114.A OE1 no hydrogen 3.376 N/A SER 237.A OG GLU 114.A OE2 no hydrogen 2.654 N/A LYS 239.A NZ ASP 269.A OD2 no hydrogen 3.072 N/A PHE 240.A N SER 237.A OG no hydrogen 3.090 N/A PHE 241.A N SER 237.A O no hydrogen 3.126 N/A SER 242.A N LYS 238.A O no hydrogen 2.988 N/A SER 242.A OG HIS 264.A NE2 no hydrogen 2.991 N/A PHE 243.A N LYS 239.A O no hydrogen 3.020 N/A ILE 244.A N PHE 240.A O no hydrogen 3.002 N/A GLU 245.A N PHE 241.A O no hydrogen 2.950 N/A GLY 246.A N SER 242.A O no hydrogen 2.785 N/A CYS 247.A N PHE 243.A O no hydrogen 2.936 N/A CYS 247.A SG PHE 243.A O no hydrogen 3.490 N/A LEU 248.A N ILE 244.A O no hydrogen 2.898 N/A LYS 250.A NZ PRO 224.A O no hydrogen 2.804 N/A LYS 250.A NZ ASN 226.A O no hydrogen 2.803 N/A MET 253.A N ASN 251.A OD1 no hydrogen 2.951 N/A GLN 254.A N ASN 251.A O no hydrogen 3.085 N/A ARG 255.A N TYR 252.A O no hydrogen 3.152 N/A ARG 255.A NE VAL 249.A O no hydrogen 2.874 N/A ARG 255.A NH1 GLU 176.A OE2 no hydrogen 2.846 N/A ARG 255.A NH1 ARG 191.A O no hydrogen 3.081 N/A ARG 255.A NH2 GLU 176.A OE1 no hydrogen 3.133 N/A ARG 255.A NH2 VAL 249.A O no hydrogen 2.813 N/A SER 257.A N GLN 260.A OE1 no hydrogen 2.810 N/A SER 257.A OG GLN 260.A OE1 no hydrogen 3.319 N/A THR 258.A OG1 HIS 132.A ND1 no hydrogen 2.740 N/A GLN 260.A N SER 257.A OG no hydrogen 3.174 N/A LEU 261.A N SER 257.A O no hydrogen 3.078 N/A LEU 262.A N THR 258.A O no hydrogen 2.947 N/A LYS 263.A N GLN 260.A O no hydrogen 3.193 N/A HIS 264.A N LEU 261.A O no hydrogen 3.171 N/A HIS 264.A NE2 SER 242.A OG no hydrogen 2.991 N/A PHE 266.A N HIS 264.A ND1 no hydrogen 3.158 N/A ILE 267.A N HIS 264.A O no hydrogen 2.771 N/A ARG 268.A N HIS 264.A O no hydrogen 2.797 N/A ARG 268.A NE ASP 269.A OD1 no hydrogen 2.813 N/A ARG 268.A NH2 ASP 269.A OD1 no hydrogen 3.211 N/A ARG 268.A NH2 ASP 269.A OD2 no hydrogen 3.221 N/A ASP 269.A N PRO 265.A O no hydrogen 2.996 N/A GLN 270.A NE2 ALA 118.A O no hydrogen 2.957 N/A GLN 270.A NE2 ILE 267.A O no hydrogen 2.811 N/A VAL 276.A N ASN 272.A O no hydrogen 2.933 N/A ARG 277.A N GLU 273.A O no hydrogen 3.198 N/A ILE 278.A N ARG 274.A O no hydrogen 3.243 N/A GLN 279.A N GLN 275.A O no hydrogen 2.796 N/A LEU 280.A N VAL 276.A O no hydrogen 2.748 N/A LYS 281.A N ARG 277.A O no hydrogen 3.127 N/A ASP 282.A N ILE 278.A O no hydrogen 2.853 N/A HIS 283.A N GLN 279.A O no hydrogen 2.966 N/A ILE 284.A N LEU 280.A O no hydrogen 2.992 N/A ILE 284.A N LYS 281.A O no hydrogen 3.256 N/A ASP 285.A N LYS 281.A O no hydrogen 3.267 N/A ARG 286.A N ASP 282.A O no hydrogen 2.931 N/A THR 287.A N HIS 283.A O no hydrogen 3.314 N/A THR 287.A OG1 HIS 283.A O no hydrogen 2.714 N/A