Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ndt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N LEU 2.A O no hydrogen 3.369 N/A GLN 7.A N ILE 24.A O no hydrogen 2.901 N/A GLY 9.A N SER 22.A O no hydrogen 2.709 N/A LEU 12.A N VAL 20.A O no hydrogen 2.619 N/A GLY 13.A N VAL 20.A O no hydrogen 3.336 N/A GLY 15.A N GLY 18.A O no hydrogen 2.878 N/A GLY 18.A N GLY 15.A O no hydrogen 2.878 N/A SER 19.A N HIS 36.A O no hydrogen 3.122 N/A VAL 20.A N GLY 13.A O no hydrogen 2.846 N/A TYR 21.A N ILE 34.A O no hydrogen 2.755 N/A SER 22.A N PRO 10.A O no hydrogen 2.726 N/A GLY 23.A N VAL 32.A O no hydrogen 2.804 N/A ILE 24.A N GLN 7.A O no hydrogen 3.030 N/A ARG 25.A N LEU 30.A O no hydrogen 2.904 N/A ARG 25.A NE ASP 28.A OD1 no hydrogen 2.889 N/A ARG 25.A NH1 ASP 28.A OD2 no hydrogen 3.262 N/A VAL 26.A N GLN 5.A O no hydrogen 2.968 N/A ASP 28.A N ARG 25.A O no hydrogen 3.184 N/A ASN 29.A N ARG 25.A O no hydrogen 2.580 N/A VAL 32.A N GLY 23.A O no hydrogen 2.922 N/A ALA 33.A N LEU 88.A O no hydrogen 2.783 N/A ILE 34.A N TYR 21.A O no hydrogen 2.725 N/A LYS 35.A N LEU 86.A O no hydrogen 2.913 N/A LYS 35.A NZ GLU 57.A OE2 no hydrogen 2.632 N/A HIS 36.A N SER 19.A O no hydrogen 2.828 N/A VAL 37.A N PHE 84.A O no hydrogen 2.937 N/A LYS 39.A N ASP 82.A O no hydrogen 2.769 N/A LYS 39.A NZ GLU 79.A OE2 no hydrogen 2.767 N/A LYS 39.A NZ ARG 80.A O no hydrogen 2.982 N/A LYS 39.A NZ PRO 81.A O no hydrogen 3.107 N/A ARG 41.A N GLU 38.A O no hydrogen 3.124 N/A ILE 42.A N LYS 39.A O no hydrogen 3.101 N/A GLY 46.A N VAL 54.A O no hydrogen 2.773 N/A LEU 48.A N THR 52.A O no hydrogen 2.677 N/A ASN 50.A N LEU 48.A O no hydrogen 2.324 N/A GLY 51.A N LEU 48.A O no hydrogen 2.773 N/A VAL 54.A N GLY 46.A O no hydrogen 2.790 N/A MET 56.A N ASP 44.A O no hydrogen 3.096 N/A VAL 58.A N PRO 55.A O no hydrogen 2.951 N/A VAL 59.A N PRO 55.A O no hydrogen 3.331 N/A LEU 60.A N MET 56.A O no hydrogen 2.840 N/A LEU 61.A N GLU 57.A O no hydrogen 2.933 N/A LYS 62.A N VAL 58.A O no hydrogen 3.014 N/A LYS 63.A N VAL 59.A O no hydrogen 3.137 N/A VAL 64.A N LEU 60.A O no hydrogen 3.154 N/A VAL 64.A N LEU 61.A O no hydrogen 3.191 N/A SER 65.A N LYS 62.A O no hydrogen 3.467 N/A SER 65.A OG LEU 61.A O no hydrogen 2.661 N/A VAL 71.A N SER 69.A OG no hydrogen 3.226 N/A ILE 72.A N LEU 152.A O no hydrogen 3.063 N/A ARG 73.A N GLU 89.A OE1 no hydrogen 3.044 N/A ARG 73.A NE SER 65.A O no hydrogen 3.214 N/A ARG 73.A NH1 SER 65.A O no hydrogen 3.500 N/A LEU 74.A N SER 65.A OG no hydrogen 2.909 N/A LEU 75.A N ILE 87.A O no hydrogen 2.683 N/A ASP 76.A N ILE 87.A O no hydrogen 3.438 N/A PHE 78.A N VAL 85.A O no hydrogen 2.761 N/A ARG 80.A N SER 83.A O no hydrogen 2.782 N/A PHE 84.A N VAL 37.A O no hydrogen 2.852 N/A VAL 85.A N PHE 78.A O no hydrogen 2.798 N/A LEU 86.A N LYS 35.A O no hydrogen 2.782 N/A ILE 87.A N ASP 76.A O no hydrogen 2.856 N/A LEU 88.A N ALA 33.A O no hydrogen 2.864 N/A GLU 89.A N ARG 73.A O no hydrogen 3.084 N/A ARG 90.A NE VAL 32.A O no hydrogen 2.864 N/A ARG 90.A NH2 GLY 23.A O no hydrogen 2.951 N/A GLN 95.A N ILE 143.A O no hydrogen 3.223 N/A GLN 95.A NE2 GLU 103.A OE1 no hydrogen 3.168 N/A LEU 97.A N ILE 141.A O no hydrogen 2.757 N/A ASP 99.A N ASP 96.A OD2 no hydrogen 2.698 N/A PHE 100.A N ASP 96.A O no hydrogen 3.053 N/A ILE 101.A N LEU 97.A O no hydrogen 3.005 N/A THR 102.A N PHE 98.A O no hydrogen 2.927 N/A THR 102.A OG1 PHE 98.A O no hydrogen 3.020 N/A GLU 103.A N ASP 99.A O no hydrogen 2.879 N/A ARG 104.A N PHE 100.A O no hydrogen 2.925 N/A ARG 104.A NH1 HIS 271.A O no hydrogen 3.001 N/A ARG 104.A NH2 HIS 271.A O no hydrogen 2.903 N/A GLY 105.A N ILE 101.A O no hydrogen 2.799 N/A LEU 107.A N MET 203.A O no hydrogen 2.856 N/A ALA 112.A N GLN 108.A O no hydrogen 2.879 N/A ARG 113.A N GLU 109.A O no hydrogen 2.773 N/A ARG 113.A NE TRP 257.A O no hydrogen 2.624 N/A ARG 113.A NH1 TRP 257.A O no hydrogen 3.108 N/A SER 114.A N GLU 110.A O no hydrogen 3.235 N/A SER 114.A OG THR 267.A OG1 no hydrogen 2.655 N/A PHE 115.A N LEU 111.A O no hydrogen 2.961 N/A PHE 116.A N ALA 112.A O no hydrogen 2.788 N/A TRP 117.A N ARG 113.A O no hydrogen 2.923 N/A GLN 118.A N SER 114.A O no hydrogen 3.151 N/A GLN 118.A NE2 GLY 148.A O no hydrogen 2.837 N/A VAL 119.A N PHE 115.A O no hydrogen 2.933 N/A LEU 120.A N PHE 116.A O no hydrogen 2.867 N/A GLU 121.A N TRP 117.A O no hydrogen 2.953 N/A ALA 122.A N GLN 118.A O no hydrogen 3.017 N/A VAL 123.A N VAL 119.A O no hydrogen 2.896 N/A ARG 124.A N LEU 120.A O no hydrogen 2.839 N/A ARG 124.A NH2 GLN 253.A OE1 no hydrogen 3.026 N/A HIS 125.A N GLU 121.A O no hydrogen 2.967 N/A HIS 125.A NE2 VAL 64.A O no hydrogen 2.915 N/A CYS 126.A N ALA 122.A O no hydrogen 3.002 N/A CYS 126.A SG ALA 122.A O no hydrogen 3.490 N/A HIS 127.A N VAL 123.A O no hydrogen 2.909 N/A ASN 128.A N ARG 124.A O no hydrogen 2.807 N/A CYS 129.A N HIS 125.A O no hydrogen 3.030 N/A CYS 129.A N CYS 126.A O no hydrogen 2.952 N/A CYS 129.A SG LYS 63.A O no hydrogen 3.475 N/A CYS 129.A SG HIS 125.A O no hydrogen 3.249 N/A GLY 130.A N HIS 127.A O no hydrogen 3.113 N/A VAL 131.A N CYS 126.A O no hydrogen 2.940 N/A LEU 132.A N ALA 159.A O no hydrogen 2.837 N/A HIS 133.A NE2 ILE 153.A O no hydrogen 2.793 N/A ARG 134.A NE SER 157.A O no hydrogen 2.799 N/A ARG 134.A NH1 SER 157.A O no hydrogen 3.168 N/A ARG 134.A NH1 GLY 158.A O no hydrogen 3.169 N/A ARG 134.A NH2 ASP 168.A OD2 no hydrogen 3.193 N/A ARG 134.A NH2 TYR 186.A OH no hydrogen 2.973 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 2.934 N/A LYS 137.A NZ GLU 139.A OE1 no hydrogen 3.163 N/A LYS 137.A NZ THR 172.A OG1 no hydrogen 2.799 N/A ASP 138.A N TYR 175.A OH no hydrogen 3.510 N/A ASN 140.A N LYS 137.A O no hydrogen 2.932 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.883 N/A ASN 140.A ND2 ASP 135.A OD1 no hydrogen 3.037 N/A ILE 141.A N ASP 138.A O no hydrogen 3.282 N/A LEU 142.A N LYS 151.A O no hydrogen 2.836 N/A ILE 143.A N GLN 95.A O no hydrogen 2.806 N/A ASP 144.A N GLU 149.A O no hydrogen 2.812 N/A LEU 145.A N PRO 93.A O no hydrogen 3.213 N/A ASN 146.A N ASP 144.A OD2 no hydrogen 3.126 N/A ARG 147.A N ASP 144.A OD2 no hydrogen 3.047 N/A ARG 147.A NE GLU 149.A OE1 no hydrogen 3.195 N/A ARG 147.A NE GLU 149.A OE2 no hydrogen 3.281 N/A ARG 147.A NH2 GLU 149.A OE2 no hydrogen 3.042 N/A GLY 148.A N ASP 144.A O no hydrogen 2.780 N/A LEU 150.A N GLN 118.A OE1 no hydrogen 2.895 N/A LYS 151.A N LEU 142.A O no hydrogen 2.839 N/A LYS 151.A NZ SER 69.A O no hydrogen 2.728 N/A LEU 152.A N GLY 70.A O no hydrogen 2.817 N/A ILE 153.A N ASN 140.A O no hydrogen 2.903 N/A GLY 156.A N ASP 154.A OD2 no hydrogen 3.332 N/A SER 157.A OG ASP 170.A O no hydrogen 3.370 N/A GLY 158.A N PHE 155.A O no hydrogen 3.060 N/A ALA 159.A N LEU 132.A O no hydrogen 2.949 N/A LEU 161.A N GLY 130.A O no hydrogen 2.810 N/A LYS 162.A N TYR 166.A OH no hydrogen 3.027 N/A LYS 162.A NZ VAL 165.A O no hydrogen 3.184 N/A TYR 166.A N TYR 186.A O no hydrogen 2.767 N/A TYR 166.A OH LEU 160.A O no hydrogen 2.716 N/A THR 172.A N ASP 135.A OD2 no hydrogen 3.131 N/A THR 172.A OG1 ASP 135.A OD2 no hydrogen 2.701 N/A ARG 173.A NE ASP 213.A OD2 no hydrogen 3.022 N/A ARG 173.A NH2 ASP 213.A OD1 no hydrogen 2.752 N/A TYR 175.A N THR 172.A O no hydrogen 3.008 N/A SER 176.A N ARG 173.A O no hydrogen 2.813 N/A SER 176.A OG ARG 173.A O no hydrogen 2.721 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.743 N/A TRP 180.A N PRO 177.A O no hydrogen 2.923 N/A ILE 181.A N PRO 177.A O no hydrogen 3.164 N/A ARG 182.A N PRO 178.A O no hydrogen 2.769 N/A TYR 183.A N GLU 179.A O no hydrogen 2.981 N/A HIS 184.A N TRP 180.A O no hydrogen 2.977 N/A TYR 186.A N TYR 166.A O no hydrogen 3.069 N/A TYR 186.A OH ASP 168.A O no hydrogen 2.663 N/A ARG 189.A NH1.B ASP 163.A OD2 no hydrogen 2.569 N/A SER 190.A OG HIS 187.A O no hydrogen 3.489 N/A ALA 191.A N HIS 187.A O no hydrogen 3.056 N/A ALA 192.A N GLY 188.A O no hydrogen 2.954 N/A VAL 193.A N ARG 189.A O.A no hydrogen 2.922 N/A VAL 193.A N ARG 189.A O.B no hydrogen 2.922 N/A TRP 194.A N SER 190.A O no hydrogen 3.104 N/A SER 195.A N ALA 191.A O no hydrogen 3.149 N/A SER 195.A OG ALA 192.A O no hydrogen 2.749 N/A LEU 196.A N ALA 192.A O no hydrogen 2.990 N/A GLY 197.A N VAL 193.A O no hydrogen 2.984 N/A ILE 198.A N TRP 194.A O no hydrogen 3.029 N/A LEU 199.A N SER 195.A O no hydrogen 2.870 N/A LEU 200.A N LEU 196.A O no hydrogen 2.885 N/A TYR 201.A N GLY 197.A O no hydrogen 3.051 N/A TYR 201.A OH PHE 222.A O no hydrogen 2.534 N/A ASP 202.A N ILE 198.A O no hydrogen 2.971 N/A MET 203.A N LEU 199.A O no hydrogen 3.001 N/A VAL 204.A N LEU 200.A O no hydrogen 3.012 N/A CYS 205.A N TYR 201.A O no hydrogen 2.776 N/A GLY 206.A N ASP 202.A O no hydrogen 2.834 N/A ILE 208.A N ASP 207.A OD1 no hydrogen 2.896 N/A GLU 211.A N GLU 215.A OE1 no hydrogen 2.716 N/A HIS 212.A N GLU 215.A OE1 no hydrogen 3.112 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.707 N/A GLU 215.A N HIS 212.A O no hydrogen 2.970 N/A ILE 216.A N HIS 212.A O no hydrogen 3.112 N/A ILE 217.A N ASP 213.A O no hydrogen 3.036 N/A GLY 218.A N GLU 214.A O no hydrogen 3.039 N/A GLY 218.A N GLU 215.A O no hydrogen 3.268 N/A ARG 224.A NE TYR 201.A OH no hydrogen 3.019 N/A SER 228.A N GLU 109.A OE1 no hydrogen 2.759 N/A SER 228.A OG GLU 109.A OE1 no hydrogen 3.436 N/A SER 228.A OG GLU 109.A OE2 no hydrogen 2.697 N/A GLU 230.A N GLU 230.A OE2 no hydrogen 2.584 N/A CYS 231.A N SER 228.A OG no hydrogen 3.228 N/A GLN 232.A N SER 228.A O no hydrogen 2.950 N/A GLN 232.A NE2 VAL 227.A O no hydrogen 3.434 N/A HIS 233.A N SER 229.A O no hydrogen 3.022 N/A HIS 233.A ND1 HIS 255.A NE2 no hydrogen 2.857 N/A LEU 234.A N GLU 230.A O no hydrogen 3.166 N/A ILE 235.A N CYS 231.A O no hydrogen 3.006 N/A ARG 236.A N GLN 232.A O no hydrogen 2.882 N/A ARG 236.A NH1 VAL 221.A O no hydrogen 3.053 N/A ARG 236.A NH2 GLN 232.A OE1 no hydrogen 2.871 N/A TRP 237.A N HIS 233.A O no hydrogen 2.882 N/A CYS 238.A N LEU 234.A O no hydrogen 2.924 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.445 N/A LEU 239.A N ILE 235.A O no hydrogen 2.926 N/A ALA 240.A N TRP 237.A O no hydrogen 3.175 N/A ASP 245.A N ARG 242.A O no hydrogen 2.942 N/A ARG 246.A N PRO 243.A O no hydrogen 3.053 N/A ARG 246.A NE ALA 240.A O no hydrogen 2.864 N/A ARG 246.A NH1 GLU 179.A OE2 no hydrogen 2.754 N/A ARG 246.A NH1 ALA 240.A O no hydrogen 3.224 N/A ARG 246.A NH1 LEU 241.A O no hydrogen 3.226 N/A ARG 246.A NH2 GLU 179.A OE1 no hydrogen 2.873 N/A ARG 246.A NH2 GLU 179.A OE2 no hydrogen 3.563 N/A ARG 246.A NH2 SER 190.A O no hydrogen 3.001 N/A THR 248.A N GLU 251.A OE2 no hydrogen 2.963 N/A THR 248.A OG1 GLU 251.A OE2 no hydrogen 3.467 N/A GLU 251.A N THR 248.A OG1 no hydrogen 3.145 N/A ILE 252.A N THR 248.A O no hydrogen 3.019 N/A GLN 253.A N PHE 249.A O no hydrogen 3.032 N/A GLN 253.A NE2 GLU 121.A OE1 no hydrogen 2.745 N/A ASN 254.A N GLU 250.A O no hydrogen 2.948 N/A HIS 255.A N ILE 252.A O no hydrogen 2.993 N/A HIS 255.A NE2 HIS 233.A ND1 no hydrogen 2.857 N/A TRP 257.A N HIS 255.A ND1 no hydrogen 3.043 N/A TRP 257.A NE1 GLU 109.A OE2 no hydrogen 2.853 N/A MET 258.A N HIS 255.A O no hydrogen 2.857 N/A GLN 259.A N.A PRO 256.A O no hydrogen 3.392 N/A GLN 259.A N.B PRO 256.A O no hydrogen 3.356 N/A GLN 259.A NE2.A GLN 253.A O no hydrogen 2.965 N/A GLN 259.A NE2.A HIS 255.A O no hydrogen 2.718 N/A GLN 259.A NE2.B PRO 256.A O no hydrogen 2.789 N/A LEU 263.A N GLU 266.A OE1 no hydrogen 3.007 N/A THR 267.A N LEU 263.A O no hydrogen 2.896 N/A THR 267.A OG1 SER 114.A OG no hydrogen 2.655 N/A THR 267.A OG1 LEU 263.A O no hydrogen 2.854 N/A ALA 268.A N PRO 264.A O no hydrogen 2.944 N/A GLU 269.A N GLN 265.A O no hydrogen 3.003 N/A ILE 270.A N GLU 266.A O no hydrogen 2.847 N/A HIS 271.A N THR 267.A O no hydrogen 2.912 N/A HIS 271.A NE2 GLU 110.A OE1 no hydrogen 2.746 N/A LEU 272.A N ALA 268.A O no hydrogen 2.922 N/A HIS 273.A N ALA 268.A O no hydrogen 2.663 N/A HIS 273.A NE2 ASN 146.A O no hydrogen 2.944 N/A