Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u2e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ASP 57.A OD1 no hydrogen 2.572 N/A GLN 4.A N ASP 57.A OD1 no hydrogen 2.938 N/A ALA 8.A N THR 5.A OG1 no hydrogen 3.027 N/A THR 9.A N THR 5.A O no hydrogen 3.335 N/A THR 9.A OG1 THR 5.A O no hydrogen 3.059 N/A THR 9.A OG1 GLU 6.A O no hydrogen 3.567 N/A SER 10.A OG HIS 25.A NE2 no hydrogen 2.604 N/A ARG 11.A N PHE 26.A O no hydrogen 2.941 N/A LEU 13.A N ILE 24.A O no hydrogen 2.999 N/A VAL 15.A N LEU 22.A O no hydrogen 3.173 N/A GLU 17.A N LYS 20.A O no hydrogen 2.740 N/A LYS 20.A N GLU 17.A O no hydrogen 2.848 N/A THR 21.A OG1 GLU 16.A OE1 no hydrogen 2.453 N/A THR 21.A OG1 GLU 16.A OE2 no hydrogen 2.555 N/A LEU 22.A N VAL 15.A O no hydrogen 3.057 N/A ARG 23.A N ASP 78.A OD2 no hydrogen 2.345 N/A ILE 24.A N LEU 13.A O no hydrogen 2.962 N/A HIS 25.A N SER 77.A OG no hydrogen 2.772 N/A HIS 25.A ND1 ASP 70.A OD2 no hydrogen 2.641 N/A HIS 25.A NE2 SER 10.A OG no hydrogen 2.604 N/A PHE 26.A N ARG 11.A O no hydrogen 3.027 N/A ASN 27.A N LEU 68.A O no hydrogen 2.929 N/A ASN 27.A ND2 GLU 6.A OE2 no hydrogen 2.882 N/A ASN 27.A ND2 THR 9.A OG1 no hydrogen 2.940 N/A ASP 28.A N THR 9.A O no hydrogen 3.147 N/A CYS 29.A N VAL 66.A O no hydrogen 2.771 N/A CYS 29.A SG VAL 66.A O no hydrogen 3.819 N/A GLY 30.A N GLN 4.A OE1 no hydrogen 3.251 N/A VAL 36.A N ARG 65.A O no hydrogen 2.766 N/A VAL 37.A N HIS 107.A O no hydrogen 2.843 N/A LEU 38.A N ILE 67.A O no hydrogen 2.898 N/A LEU 39.A N LEU 109.A O no hydrogen 2.972 N/A HIS 40.A ND1 GLY 41.A O no hydrogen 2.674 N/A GLY 41.A N ASN 51.A OD1 no hydrogen 2.679 N/A ALA 46.A N GLY 43.A O no hydrogen 3.042 N/A GLY 48.A N ASP 70.A OD1 no hydrogen 2.828 N/A ALA 50.A N THR 47.A OG1 no hydrogen 3.043 N/A ASN 51.A N THR 47.A O no hydrogen 3.002 N/A PHE 52.A N GLY 48.A O no hydrogen 3.162 N/A ARG 54.A NH1 TRP 269.A O no hydrogen 3.188 N/A ASN 55.A N PHE 52.A O no hydrogen 2.746 N/A ASN 55.A ND2 GLN 268.A O no hydrogen 3.070 N/A ASN 55.A ND2 ASN 276.A OD1 no hydrogen 2.792 N/A ILE 56.A N PHE 52.A O no hydrogen 3.062 N/A LEU 59.A N ASN 55.A O no hydrogen 3.370 N/A VAL 60.A N ILE 56.A O no hydrogen 2.971 N/A GLU 61.A N ASP 57.A O no hydrogen 2.872 N/A ALA 62.A N PRO 58.A O no hydrogen 3.199 N/A GLY 63.A N VAL 60.A O no hydrogen 2.909 N/A TYR 64.A N LEU 59.A O no hydrogen 3.406 N/A ARG 65.A N GLU 34.A O no hydrogen 3.067 N/A ARG 65.A NE ASP 28.A OD1 no hydrogen 2.796 N/A ARG 65.A NH2 ASP 28.A OD1 no hydrogen 3.511 N/A ARG 65.A NH2 ASP 28.A OD2 no hydrogen 2.546 N/A VAL 66.A N CYS 29.A O no hydrogen 2.691 N/A ILE 67.A N VAL 36.A O no hydrogen 3.027 N/A LEU 68.A N ASN 27.A O no hydrogen 2.854 N/A ASP 70.A N HIS 25.A O no hydrogen 3.097 N/A CYS 71.A N HIS 40.A NE2 no hydrogen 3.038 N/A CYS 71.A SG HIS 40.A NE2 no hydrogen 3.839 N/A GLY 73.A N ASP 78.A O no hydrogen 3.043 N/A TRP 74.A N CYS 71.A O no hydrogen 2.878 N/A TRP 74.A NE1 GLY 43.A O no hydrogen 3.249 N/A LYS 76.A NZ GLU 6.A OE1 no hydrogen 2.787 N/A LYS 76.A NZ GLU 6.A OE2 no hydrogen 2.842 N/A SER 77.A N TRP 74.A O no hydrogen 3.333 N/A SER 77.A OG ASP 70.A O no hydrogen 2.586 N/A ASP 78.A N ARG 23.A O no hydrogen 2.820 N/A SER 79.A OG HIS 200.A ND1 no hydrogen 2.886 N/A ASN 82.A N SER 207.A OG no hydrogen 2.738 N/A ASN 82.A ND2 GLY 84.A O no hydrogen 3.027 N/A ASN 82.A ND2 GLN 214.A OE1 no hydrogen 2.500 N/A GLY 84.A N ASN 82.A OD1 no hydrogen 3.033 N/A SER 85.A OG ASP 88.A OD2 no hydrogen 2.497 N/A ARG 86.A N GLN 214.A O no hydrogen 2.748 N/A ARG 86.A NH1 GLN 214.A OE1 no hydrogen 3.370 N/A SER 87.A OG HIS 116.A ND1.B no hydrogen 2.348 N/A ASP 88.A N SER 85.A OG no hydrogen 3.209 N/A LEU 89.A N SER 85.A O no hydrogen 2.944 N/A ASN 90.A N ARG 86.A O no hydrogen 2.980 N/A ASN 90.A ND2 SER 117.A OG no hydrogen 3.050 N/A ALA 91.A N SER 87.A O no hydrogen 3.096 N/A ARG 92.A N ASP 88.A O no hydrogen 3.001 N/A ARG 92.A NH1 GLU 17.A OE1 no hydrogen 3.166 N/A ILE 93.A N LEU 89.A O no hydrogen 3.125 N/A LEU 94.A N ASN 90.A O no hydrogen 3.076 N/A LYS 95.A N ALA 91.A O no hydrogen 2.985 N/A LYS 95.A NZ ASP 99.A OD2 no hydrogen 3.118 N/A SER 96.A N ARG 92.A O no hydrogen 2.968 N/A VAL 97.A N ILE 93.A O no hydrogen 2.986 N/A VAL 98.A N LEU 94.A O no hydrogen 2.821 N/A ASP 99.A N LYS 95.A O no hydrogen 3.032 N/A GLN 100.A N SER 96.A O no hydrogen 2.802 N/A GLN 100.A NE2 ASN 14.A O no hydrogen 2.676 N/A GLN 100.A NE2 SER 96.A OG no hydrogen 3.066 N/A LEU 101.A N VAL 97.A O no hydrogen 2.836 N/A ASP 102.A N ASP 99.A O no hydrogen 2.966 N/A ILE 103.A N VAL 98.A O no hydrogen 2.958 N/A LYS 105.A NZ VAL 129.A O no hydrogen 2.720 N/A ILE 106.A N ARG 128.A O no hydrogen 2.868 N/A HIS 107.A N THR 35.A O no hydrogen 2.820 N/A HIS 107.A NE2 GLU 34.A OE1 no hydrogen 2.664 N/A LEU 108.A N LYS 131.A O no hydrogen 2.929 N/A LEU 109.A N VAL 37.A O no hydrogen 2.959 N/A GLY 110.A N VAL 133.A O no hydrogen 2.879 N/A ASN 111.A N LEU 39.A O no hydrogen 2.934 N/A ASN 111.A ND2 MET 135.A O no hydrogen 3.375 N/A SER 112.A N MET 135.A O no hydrogen 2.757 N/A SER 112.A OG HIS 265.A NE2 no hydrogen 3.261 N/A GLY 114.A N ASN 111.A O no hydrogen 2.658 N/A GLY 115.A N SER 112.A O no hydrogen 2.626 N/A HIS 116.A N.A SER 112.A O no hydrogen 3.150 N/A HIS 116.A N.B SER 112.A O no hydrogen 3.147 N/A SER 117.A N MET 113.A O no hydrogen 2.969 N/A SER 117.A OG MET 113.A O no hydrogen 2.892 N/A SER 118.A N GLY 114.A O no hydrogen 2.844 N/A SER 118.A OG GLY 114.A O no hydrogen 2.965 N/A VAL 119.A N GLY 115.A O no hydrogen 2.983 N/A ALA 120.A N HIS 116.A O.A no hydrogen 2.935 N/A ALA 120.A N HIS 116.A O.B no hydrogen 2.945 N/A PHE 121.A N SER 117.A O no hydrogen 2.809 N/A THR 122.A N SER 118.A O no hydrogen 2.831 N/A THR 122.A OG1 SER 118.A O no hydrogen 2.704 N/A LEU 123.A N VAL 119.A O no hydrogen 2.851 N/A LYS 124.A N ALA 120.A O no hydrogen 3.128 N/A LYS 124.A NZ ASP 88.A OD1 no hydrogen 2.879 N/A TRP 125.A N PHE 121.A O no hydrogen 2.788 N/A ARG 128.A N TRP 125.A O no hydrogen 2.736 N/A ARG 128.A NE ALA 104.A O no hydrogen 2.701 N/A ARG 128.A NH1 ASP 99.A OD1 no hydrogen 2.769 N/A ARG 128.A NH2 ASP 99.A OD1 no hydrogen 3.247 N/A ARG 128.A NH2 ILE 103.A O no hydrogen 2.414 N/A VAL 129.A N PRO 126.A O no hydrogen 3.478 N/A GLY 130.A N ILE 106.A O no hydrogen 2.640 N/A LYS 131.A N HIS 107.A ND1 no hydrogen 2.938 N/A LYS 131.A NZ ARG 285.A O no hydrogen 2.897 N/A LYS 131.A NZ PRO 286.A O no hydrogen 3.545 N/A LEU 132.A N GLN 228.A O no hydrogen 2.885 N/A VAL 133.A N LEU 108.A O no hydrogen 2.753 N/A LEU 134.A N LEU 230.A O no hydrogen 2.796 N/A MET 135.A N GLY 110.A O no hydrogen 2.800 N/A GLY 136.A N VAL 232.A O no hydrogen 3.200 N/A THR 139.A OG1 GLY 140.A O no hydrogen 3.267 N/A GLY 140.A N PRO 216.A O no hydrogen 3.210 N/A SER 143.A OG ASP 243.A OD1 no hydrogen 2.843 N/A LEU 144.A N ASP 243.A OD2 no hydrogen 3.034 N/A PHE 145.A N SER 143.A OG no hydrogen 3.229 N/A THR 146.A N SER 143.A OG no hydrogen 2.916 N/A THR 150.A OG1 ARG 238.A O no hydrogen 3.365 N/A THR 150.A OG1 PHE 239.A O no hydrogen 2.724 N/A GLY 152.A N ARG 238.A O no hydrogen 2.791 N/A ILE 153.A N THR 150.A OG1 no hydrogen 3.109 N/A LYS 154.A N THR 150.A O no hydrogen 3.131 N/A ARG 155.A NH1 LEU 170.A O no hydrogen 2.740 N/A LEU 156.A N GLY 152.A O no hydrogen 3.035 N/A ASN 157.A N ILE 153.A O no hydrogen 2.922 N/A GLN 158.A N LYS 154.A O no hydrogen 3.008 N/A LEU 159.A N ARG 155.A O no hydrogen 2.991 N/A TYR 160.A N LEU 156.A O no hydrogen 3.111 N/A TYR 160.A OH SER 42.A O no hydrogen 2.775 N/A ARG 161.A N ASN 157.A O no hydrogen 3.188 N/A GLN 162.A N GLN 158.A O no hydrogen 2.861 N/A ASN 167.A N THR 164.A OG1 no hydrogen 3.197 N/A ASN 167.A ND2 GLN 162.A O no hydrogen 2.914 N/A LEU 168.A N THR 164.A O no hydrogen 2.945 N/A LEU 168.A N ILE 165.A O no hydrogen 3.224 N/A LYS 169.A N ILE 165.A O no hydrogen 3.031 N/A LEU 170.A N GLU 166.A O no hydrogen 2.920 N/A MET 171.A N ASN 167.A O no hydrogen 3.054 N/A MET 172.A N LEU 168.A O no hydrogen 2.978 N/A ASP 173.A N LYS 169.A O no hydrogen 2.763 N/A ILE 174.A N MET 171.A O no hydrogen 3.343 N/A PHE 175.A N MET 172.A O no hydrogen 2.960 N/A PHE 177.A N GLU 270.A OE1 no hydrogen 2.824 N/A SER 180.A N ASP 178.A OD1 no hydrogen 2.752 N/A ASP 181.A N ASP 178.A O no hydrogen 2.899 N/A LEU 186.A N THR 183.A OG1 no hydrogen 2.991 N/A PHE 187.A N THR 183.A O no hydrogen 2.945 N/A GLU 188.A N ASP 184.A O no hydrogen 2.863 N/A ALA 189.A N ALA 185.A O no hydrogen 2.944 N/A ARG 190.A N LEU 186.A O no hydrogen 2.968 N/A ARG 190.A NH1 PRO 44.A O no hydrogen 2.721 N/A LEU 191.A N PHE 187.A O no hydrogen 2.836 N/A ASN 192.A N GLU 188.A O no hydrogen 2.911 N/A ASN 192.A ND2 GLU 188.A O no hydrogen 2.898 N/A ASN 193.A N ALA 189.A O no hydrogen 3.006 N/A ASN 193.A ND2 GLY 45.A O no hydrogen 3.051 N/A MET 194.A N ARG 190.A O no hydrogen 2.867 N/A LEU 195.A N LEU 191.A O no hydrogen 2.842 N/A SER 196.A N ASN 192.A O no hydrogen 2.810 N/A ARG 197.A NE ASP 199.A OD1 no hydrogen 2.630 N/A ARG 197.A NE ASP 199.A OD2 no hydrogen 3.002 N/A ARG 197.A NH1 SER 77.A O no hydrogen 3.091 N/A ARG 197.A NH2 SER 77.A O no hydrogen 3.340 N/A ARG 197.A NH2 ASP 199.A OD2 no hydrogen 2.567 N/A HIS 200.A N ARG 197.A O no hydrogen 3.048 N/A HIS 200.A ND1 SER 79.A OG no hydrogen 2.886 N/A HIS 200.A NE2 GLY 75.A O no hydrogen 2.849 N/A GLU 202.A N ARG 198.A O no hydrogen 2.994 N/A ASN 203.A N ASP 199.A O no hydrogen 2.882 N/A ASN 203.A ND2 SER 79.A OG no hydrogen 2.587 N/A PHE 204.A N HIS 200.A O no hydrogen 2.948 N/A VAL 205.A N LEU 201.A O no hydrogen 3.340 N/A LYS 206.A N GLU 202.A O no hydrogen 3.036 N/A SER 207.A N ASN 203.A O no hydrogen 2.872 N/A SER 207.A OG ASN 203.A O no hydrogen 2.684 N/A LEU 208.A N PHE 204.A O no hydrogen 3.032 N/A GLU 209.A N VAL 205.A O no hydrogen 2.990 N/A ALA 210.A N LYS 206.A O no hydrogen 2.762 N/A ASN 211.A N SER 207.A O no hydrogen 2.656 N/A ASN 211.A ND2 GLY 84.A O no hydrogen 2.687 N/A ASN 211.A ND2 LYS 213.A O no hydrogen 2.947 N/A LYS 213.A N ASN 211.A OD1 no hydrogen 3.266 N/A GLN 214.A NE2 ASN 82.A O no hydrogen 2.982 N/A GLN 214.A NE2 ASN 211.A O no hydrogen 2.804 N/A GLY 219.A N ASP 217.A OD1 no hydrogen 2.753 N/A ARG 221.A N PHE 218.A O no hydrogen 2.984 N/A ARG 221.A NE GLU 224.A OE2 no hydrogen 2.847 N/A ARG 221.A NH2 GLU 224.A OE1 no hydrogen 2.892 N/A LEU 222.A N GLY 219.A O no hydrogen 3.071 N/A GLU 224.A N ARG 221.A O no hydrogen 2.687 N/A ILE 225.A N LEU 222.A O no hydrogen 3.187 N/A LYS 226.A NZ ALA 223.A O no hydrogen 3.506 N/A GLN 228.A NE2 PRO 286.A O no hydrogen 2.804 N/A THR 229.A OG1 ALA 227.A O no hydrogen 2.836 N/A LEU 230.A N LEU 132.A O no hydrogen 2.702 N/A ILE 231.A N GLU 256.A O no hydrogen 2.724 N/A VAL 232.A N LEU 134.A O no hydrogen 2.737 N/A TRP 233.A N HIS 258.A O no hydrogen 3.053 N/A TRP 233.A NE1 VAL 240.A O no hydrogen 3.016 N/A ARG 235.A N PHE 260.A O no hydrogen 2.753 N/A ARG 235.A NH1 ARG 235.A O no hydrogen 3.105 N/A ASN 236.A N CYS 263.A O no hydrogen 2.994 N/A ASP 237.A N GLY 234.A O no hydrogen 3.074 N/A ARG 238.A NH1 GLU 151.A OE1 no hydrogen 2.564 N/A PHE 239.A N ASP 237.A OD1 no hydrogen 2.854 N/A VAL 240.A N ASP 237.A OD1 no hydrogen 2.820 N/A ALA 244.A N PRO 241.A O no hydrogen 3.008 N/A GLY 245.A N MET 242.A O no hydrogen 2.701 N/A LEU 246.A N MET 242.A O no hydrogen 3.386 N/A ARG 247.A N ASP 243.A O no hydrogen 3.012 N/A ARG 247.A NH2 ASP 217.A OD1 no hydrogen 3.406 N/A LEU 248.A N ALA 244.A O no hydrogen 3.149 N/A LEU 249.A N GLY 245.A O no hydrogen 3.030 N/A SER 250.A N LEU 246.A O no hydrogen 2.861 N/A SER 250.A OG LEU 246.A O no hydrogen 3.350 N/A GLY 251.A N ARG 247.A O no hydrogen 2.880 N/A ILE 252.A N LEU 248.A O no hydrogen 2.911 N/A SER 255.A N ILE 252.A O no hydrogen 3.190 N/A SER 255.A OG LEU 249.A O no hydrogen 3.210 N/A SER 255.A OG ILE 252.A O no hydrogen 2.741 N/A GLU 256.A N THR 229.A O no hydrogen 3.000 N/A HIS 258.A N ILE 231.A O no hydrogen 2.743 N/A PHE 260.A N TRP 233.A O no hydrogen 2.817 N/A ARG 261.A NH1 ASP 262.A OD1 no hydrogen 2.689 N/A CYS 263.A SG GLY 264.A O no hydrogen 3.518 N/A CYS 263.A SG GLU 270.A OE2 no hydrogen 3.780 N/A GLY 264.A N GLU 270.A OE1 no hydrogen 2.893 N/A GLY 264.A N GLU 270.A OE2 no hydrogen 2.987 N/A HIS 265.A N PHE 175.A O no hydrogen 2.867 N/A HIS 265.A ND1 ASP 237.A OD2 no hydrogen 2.603 N/A TRP 266.A N GLU 270.A OE2 no hydrogen 2.932 N/A TRP 266.A NE1 ASN 51.A O no hydrogen 3.196 N/A GLN 268.A NE2 ASN 51.A O no hydrogen 2.591 N/A GLN 268.A NE2 ASN 55.A OD1 no hydrogen 3.491 N/A TRP 269.A N TRP 266.A O no hydrogen 2.992 N/A GLU 270.A N TRP 266.A O no hydrogen 2.805 N/A HIS 271.A N ALA 267.A O no hydrogen 2.899 N/A HIS 271.A NE2 ASP 262.A O no hydrogen 2.917 N/A ALA 272.A N TRP 269.A O no hydrogen 3.301 N/A PHE 275.A N HIS 271.A O no hydrogen 2.786 N/A ASN 276.A N ALA 272.A O no hydrogen 2.749 N/A ASN 276.A ND2 ARG 54.A O no hydrogen 2.938 N/A GLN 277.A N ASP 273.A O no hydrogen 3.023 N/A LEU 278.A N ALA 274.A O no hydrogen 2.903 N/A VAL 279.A N PHE 275.A O no hydrogen 2.869 N/A LEU 280.A N ASN 276.A O no hydrogen 2.846 N/A ASN 281.A N GLN 277.A O no hydrogen 3.014 N/A PHE 282.A N LEU 278.A O no hydrogen 2.869 N/A LEU 283.A N VAL 279.A O no hydrogen 2.609 N/A ALA 284.A N LEU 280.A O no hydrogen 2.984 N/A ALA 284.A N ASN 281.A O no hydrogen 3.072 N/A ARG 285.A N PHE 282.A O no hydrogen 2.943 N/A ARG 285.A NH1 GLU 256.A OE2 no hydrogen 2.679 N/A ARG 285.A NH2 GLU 256.A OE1 no hydrogen 3.018 N/A ARG 285.A NH2 GLU 256.A OE2 no hydrogen 3.211 N/A