Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e02_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N MET 5.A O no hydrogen 2.674 N/A THR 2.A OG1 MET 5.A O no hydrogen 3.277 N/A MET 5.A N THR 2.A O no hydrogen 3.113 N/A MET 6.A N TYR 24.A OH no hydrogen 3.333 N/A SER 12.A OG ARG 11.A O no hydrogen 2.606 N/A GLY 15.A N SER 12.A O no hydrogen 3.156 N/A SER 16.A N ASP 14.A OD1 no hydrogen 2.667 N/A LEU 18.A N GLY 15.A O no hydrogen 3.075 N/A LYS 20.A N SER 16.A O no hydrogen 3.123 N/A LYS 20.A NZ TYR 8.A OH no hydrogen 2.837 N/A SER 21.A N HIS 17.A O no hydrogen 2.973 N/A SER 21.A OG HIS 138.A ND1 no hydrogen 2.622 N/A GLY 22.A N LEU 18.A O no hydrogen 2.910 N/A ARG 23.A N LEU 19.A O no hydrogen 2.920 N/A TYR 24.A N LYS 20.A O no hydrogen 3.010 N/A LEU 25.A N SER 21.A O no hydrogen 3.014 N/A GLN 26.A N GLY 22.A O no hydrogen 2.961 N/A GLN 26.A NE2 PRO 71.A O no hydrogen 2.662 N/A GLN 27.A N ARG 23.A O no hydrogen 3.084 N/A GLN 27.A NE2 GLU 28.A OE2 no hydrogen 3.532 N/A GLU 28.A N TYR 24.A O no hydrogen 2.913 N/A LEU 29.A N LEU 25.A O no hydrogen 2.750 N/A ARG 32.A N GLU 28.A O no hydrogen 3.297 N/A ILE 33.A N LEU 29.A O no hydrogen 2.954 N/A ALA 34.A N PRO 30.A O no hydrogen 2.873 N/A HIS 35.A N VAL 31.A O no hydrogen 3.069 N/A ARG 36.A N ARG 32.A O no hydrogen 3.092 N/A ILE 37.A N ILE 33.A O no hydrogen 2.946 N/A LYS 38.A N ALA 34.A O no hydrogen 2.992 N/A GLY 39.A N HIS 35.A O no hydrogen 3.010 N/A PHE 40.A N ARG 36.A O no hydrogen 3.047 N/A ARG 41.A N ILE 37.A O no hydrogen 2.927 N/A SER 42.A N LYS 38.A O no hydrogen 3.080 N/A SER 42.A N GLY 39.A O no hydrogen 3.355 N/A SER 42.A OG LYS 38.A O no hydrogen 3.375 N/A LEU 43.A N PHE 40.A O no hydrogen 3.201 N/A ILE 47.A N PRO 44.A O no hydrogen 2.955 N/A GLY 48.A N PRO 44.A O no hydrogen 2.972 N/A CYS 49.A N PHE 45.A O no hydrogen 2.963 N/A CYS 49.A SG PHE 45.A O no hydrogen 3.412 N/A ASN 50.A N ILE 47.A O no hydrogen 2.982 N/A ILE 53.A N ASN 50.A OD1 no hydrogen 3.005 N/A LEU 54.A N ASN 50.A O no hydrogen 2.810 N/A HIS 55.A N PRO 51.A O no hydrogen 2.965 N/A VAL 56.A N THR 52.A O no hydrogen 3.097 N/A HIS 57.A N ILE 53.A O no hydrogen 2.822 N/A GLU 58.A N LEU 54.A O no hydrogen 2.799 N/A LEU 59.A N HIS 55.A O no hydrogen 2.946 N/A TYR 60.A N VAL 56.A O no hydrogen 3.087 N/A ILE 61.A N HIS 57.A O no hydrogen 3.059 N/A ARG 62.A N GLU 58.A O no hydrogen 2.879 N/A ARG 62.A NH2 GLU 58.A OE1 no hydrogen 3.252 N/A ALA 63.A N LEU 59.A O no hydrogen 2.903 N/A PHE 64.A N TYR 60.A O no hydrogen 2.948 N/A GLN 65.A N ILE 61.A O no hydrogen 2.954 N/A LYS 66.A N ARG 62.A O no hydrogen 2.915 N/A LYS 66.A NZ GLN 88.A OE1 no hydrogen 2.823 N/A LEU 67.A N ALA 63.A O no hydrogen 2.852 N/A THR 68.A N PHE 64.A O no hydrogen 2.942 N/A THR 68.A OG1 PHE 64.A O no hydrogen 2.800 N/A THR 68.A OG1 GLN 65.A O no hydrogen 3.309 N/A ASP 69.A N GLN 65.A O no hydrogen 2.865 N/A PHE 70.A N LYS 66.A O no hydrogen 3.201 N/A ILE 73.A N GLN 26.A OE1 no hydrogen 2.883 N/A LYS 74.A N ASP 78.A OD2 no hydrogen 3.144 N/A LYS 74.A NZ PRO 72.A O no hydrogen 2.510 N/A GLN 76.A NE2 GLN 76.A O no hydrogen 2.979 N/A GLN 76.A NE2 GLU 79.A OE1 no hydrogen 2.662 N/A ASP 78.A N ASP 75.A OD1 no hydrogen 2.747 N/A GLU 79.A N ASP 75.A O no hydrogen 3.069 N/A ALA 80.A N GLN 76.A O no hydrogen 2.813 N/A GLN 81.A N ALA 77.A O no hydrogen 3.213 N/A TYR 82.A N ASP 78.A O no hydrogen 2.885 N/A CYS 83.A N GLU 79.A O no hydrogen 3.085 N/A CYS 83.A SG GLU 79.A O no hydrogen 3.421 N/A CYS 83.A SG GLU 79.A OE2 no hydrogen 3.134 N/A CYS 83.A SG HIS 138.A NE2 no hydrogen 3.675 N/A CYS 83.A SG HIS 142.A NE2 no hydrogen 3.311 N/A GLN 84.A N ALA 80.A O no hydrogen 3.431 N/A LEU 85.A N GLN 81.A O no hydrogen 3.184 N/A VAL 86.A N TYR 82.A O no hydrogen 2.872 N/A ARG 87.A N CYS 83.A O no hydrogen 2.826 N/A GLN 88.A N GLN 84.A O no hydrogen 2.965 N/A LEU 89.A N LEU 85.A O no hydrogen 2.957 N/A LEU 90.A N VAL 86.A O no hydrogen 2.953 N/A ASP 91.A N ARG 87.A O no hydrogen 3.053 N/A ASP 92.A N GLN 88.A O no hydrogen 2.769 N/A HIS 93.A N LEU 89.A O no hydrogen 2.987 N/A LYS 94.A N ASP 91.A O no hydrogen 3.230 N/A LYS 94.A NZ ASP 95.A OD2 no hydrogen 3.115 N/A VAL 96.A N HIS 93.A O no hydrogen 3.294 N/A LEU 99.A N ASP 95.A O no hydrogen 2.977 N/A LEU 100.A N VAL 96.A O no hydrogen 2.912 N/A ALA 101.A N VAL 97.A O no hydrogen 2.885 N/A GLU 102.A N THR 98.A O no hydrogen 3.022 N/A GLY 103.A N LEU 99.A O no hydrogen 2.783 N/A LEU 104.A N LEU 100.A O no hydrogen 2.833 N/A ARG 105.A N GLU 102.A O no hydrogen 3.325 N/A ARG 105.A NE GLU 102.A OE1 no hydrogen 3.432 N/A ARG 105.A NH2 GLU 102.A OE1 no hydrogen 2.909 N/A ARG 105.A NH2 GLU 102.A OE2 no hydrogen 3.050 N/A SER 107.A OG GLY 103.A O no hydrogen 2.714 N/A ARG 108.A N LEU 104.A O no hydrogen 3.093 N/A ARG 108.A NH1 HIS 263.A ND1 no hydrogen 3.030 N/A LYS 109.A N GLU 106.A O no hydrogen 2.868 N/A LYS 109.A NZ GLU 106.A OE1 no hydrogen 2.739 N/A LYS 109.A NZ GLU 106.A OE2 no hydrogen 3.230 N/A HIS 110.A N SER 107.A O no hydrogen 3.468 N/A LYS 115.A N ASP 113.A OD1 no hydrogen 3.294 N/A LEU 116.A N ASP 113.A O no hydrogen 3.249 N/A ARG 118.A NH2 ASP 261.A OD1 no hydrogen 2.964 N/A TYR 119.A N LYS 115.A O no hydrogen 2.952 N/A PHE 120.A N LEU 116.A O no hydrogen 2.880 N/A LEU 121.A N VAL 117.A O no hydrogen 2.845 N/A ASP 122.A N ARG 118.A O no hydrogen 2.876 N/A LYS 123.A N TYR 119.A O no hydrogen 2.911 N/A THR 124.A N PHE 120.A O no hydrogen 2.795 N/A THR 124.A OG1 PHE 120.A O no hydrogen 2.670 N/A LEU 125.A N LEU 121.A O no hydrogen 2.799 N/A THR 126.A N ASP 122.A O no hydrogen 3.129 N/A THR 126.A OG1 ASP 122.A O no hydrogen 2.701 N/A THR 126.A OG1 LYS 123.A O no hydrogen 3.392 N/A SER 127.A N LYS 123.A O no hydrogen 3.113 N/A SER 127.A OG LYS 123.A O no hydrogen 2.979 N/A ARG 128.A N THR 124.A O no hydrogen 3.001 N/A ARG 128.A NH2 HIS 93.A O no hydrogen 2.931 N/A LEU 129.A N LEU 125.A O no hydrogen 2.908 N/A GLY 130.A N THR 126.A O no hydrogen 2.932 N/A ILE 131.A N SER 127.A O no hydrogen 2.875 N/A ARG 132.A N ARG 128.A O no hydrogen 2.864 N/A ARG 132.A NH1 LEU 90.A O no hydrogen 2.967 N/A ARG 132.A NH2 LEU 90.A O no hydrogen 3.298 N/A MET 133.A N LEU 129.A O no hydrogen 2.795 N/A LEU 134.A N GLY 130.A O no hydrogen 2.969 N/A ALA 135.A N ILE 131.A O no hydrogen 2.916 N/A THR 136.A N ARG 132.A O no hydrogen 2.911 N/A THR 136.A OG1 ARG 132.A O no hydrogen 2.770 N/A HIS 137.A N MET 133.A O no hydrogen 2.868 N/A HIS 137.A NE2 TYR 8.A O no hydrogen 2.803 N/A HIS 138.A N LEU 134.A O no hydrogen 3.066 N/A HIS 138.A ND1 SER 21.A OG no hydrogen 2.622 N/A HIS 138.A NE2 GLU 79.A OE2 no hydrogen 2.518 N/A LEU 139.A N ALA 135.A O no hydrogen 3.100 N/A ALA 140.A N THR 136.A O no hydrogen 2.929 N/A LEU 141.A N HIS 137.A O no hydrogen 3.046 N/A LEU 141.A N HIS 138.A O no hydrogen 3.106 N/A HIS 142.A N LEU 139.A O no hydrogen 3.053 N/A HIS 142.A NE2 GLU 79.A OE2 no hydrogen 2.770 N/A GLU 143.A N ALA 140.A O no hydrogen 2.894 N/A VAL 149.A N ILE 152.A O no hydrogen 2.812 N/A ILE 151.A N HIS 137.A ND1 no hydrogen 3.130 N/A ILE 152.A N VAL 149.A O no hydrogen 3.027 N/A CYS 153.A N PHE 195.A O no hydrogen 2.792 N/A CYS 153.A SG ASP 147.A O no hydrogen 3.503 N/A THR 154.A N ASP 147.A O no hydrogen 2.854 N/A ARG 155.A NH1 ASP 147.A OD1 no hydrogen 2.686 N/A LEU 156.A N PHE 193.A O no hydrogen 2.810 N/A LYS 159.A NZ GLU 163.A OE2 no hydrogen 2.503 N/A LYS 160.A N SER 157.A OG no hydrogen 3.055 N/A LYS 160.A NZ GLU 163.A OE1 no hydrogen 3.366 N/A ILE 161.A N SER 157.A O no hydrogen 3.222 N/A ILE 162.A N PRO 158.A O no hydrogen 2.999 N/A GLU 163.A N LYS 159.A O no hydrogen 2.904 N/A LYS 164.A N LYS 160.A O no hydrogen 2.989 N/A LYS 164.A NZ ASP 201.A OD1 no hydrogen 2.917 N/A TRP 165.A N ILE 161.A O no hydrogen 3.255 N/A TRP 165.A NE1 ASP 201.A OD1 no hydrogen 2.787 N/A VAL 166.A N ILE 162.A O no hydrogen 2.780 N/A ASP 167.A N GLU 163.A O no hydrogen 3.061 N/A PHE 168.A N LYS 164.A O no hydrogen 3.332 N/A ALA 169.A N TRP 165.A O no hydrogen 2.832 N/A ARG 170.A N VAL 166.A O no hydrogen 2.765 N/A ARG 170.A NE PRO 181.A O no hydrogen 2.749 N/A ARG 170.A NH2 ALA 180.A O no hydrogen 3.100 N/A ARG 171.A N ASP 167.A O no hydrogen 3.091 N/A LEU 172.A N PHE 168.A O no hydrogen 3.229 N/A CYS 173.A N ALA 169.A O no hydrogen 2.949 N/A CYS 173.A SG ASN 179.A O no hydrogen 3.519 N/A GLU 174.A N ARG 170.A O no hydrogen 2.834 N/A HIS 175.A N ARG 171.A O no hydrogen 3.040 N/A LYS 176.A N LEU 172.A O no hydrogen 3.226 N/A LYS 176.A N CYS 173.A O no hydrogen 3.007 N/A TYR 177.A N CYS 173.A O no hydrogen 2.862 N/A GLY 178.A N GLU 174.A O no hydrogen 2.837 N/A ASN 179.A ND2 PRO 223.A O no hydrogen 2.729 N/A ARG 184.A N VAL 229.A O no hydrogen 2.910 N/A ARG 184.A NH1 ASP 228.A OD2 no hydrogen 2.455 N/A ASN 186.A N ILE 231.A O no hydrogen 2.890 N/A HIS 188.A N ILE 233.A O no hydrogen 2.802 N/A VAL 189.A N GLY 187.A O no hydrogen 2.816 N/A ALA 191.A N HIS 188.A O no hydrogen 3.156 N/A PHE 193.A N LEU 156.A O no hydrogen 3.101 N/A PHE 195.A N CYS 153.A O no hydrogen 2.774 N/A ASP 201.A N PRO 197.A O no hydrogen 3.009 N/A TYR 202.A N MET 198.A O no hydrogen 3.086 N/A ILE 203.A N PRO 199.A O no hydrogen 2.817 N/A LEU 204.A N LEU 200.A O no hydrogen 2.854 N/A LEU 207.A N ILE 203.A O no hydrogen 3.160 N/A LEU 208.A N LEU 204.A O no hydrogen 2.913 N/A LYS 209.A N PRO 205.A O no hydrogen 2.900 N/A ASN 210.A N GLU 206.A O no hydrogen 3.227 N/A ALA 211.A N LEU 207.A O no hydrogen 3.094 N/A MET 212.A N LEU 208.A O no hydrogen 2.954 N/A ARG 213.A N LYS 209.A O no hydrogen 2.951 N/A ARG 213.A NH1 GLU 217.A OE2 no hydrogen 3.249 N/A ARG 213.A NH2 THR 266.A OG1 no hydrogen 3.332 N/A ALA 214.A N ASN 210.A O no hydrogen 3.059 N/A THR 215.A N ALA 211.A O no hydrogen 3.061 N/A THR 215.A OG1 ALA 211.A O no hydrogen 2.747 N/A MET 216.A N MET 212.A O no hydrogen 2.874 N/A GLU 217.A N ARG 213.A O no hydrogen 2.869 N/A SER 218.A N ALA 214.A O no hydrogen 3.247 N/A SER 218.A OG ALA 214.A O no hydrogen 2.851 N/A SER 218.A OG THR 215.A O no hydrogen 3.260 N/A SER 218.A OG HIS 219.A ND1 no hydrogen 3.148 N/A HIS 219.A N MET 216.A O no hydrogen 3.071 N/A HIS 219.A ND1 THR 215.A O no hydrogen 2.797 N/A THR 222.A N HIS 219.A O no hydrogen 3.055 N/A THR 222.A OG1 ASN 225.A O no hydrogen 3.407 N/A ASN 225.A N THR 222.A O no hydrogen 2.934 N/A VAL 229.A N ARG 182.A O no hydrogen 2.876 N/A VAL 230.A N SER 245.A O no hydrogen 2.874 N/A ILE 231.A N ARG 184.A O no hydrogen 2.764 N/A THR 232.A N ARG 243.A O no hydrogen 2.795 N/A THR 232.A OG1 ASN 186.A OD1 no hydrogen 2.628 N/A ILE 233.A N ASN 186.A O no hydrogen 3.013 N/A ALA 234.A N ILE 241.A O no hydrogen 2.851 N/A ASN 235.A N HIS 188.A ND1 no hydrogen 2.841 N/A ASN 236.A N ASP 239.A O no hydrogen 3.192 N/A ASN 236.A ND2 ASP 239.A OD2 no hydrogen 2.754 N/A VAL 238.A N ASN 236.A OD1 no hydrogen 2.813 N/A ASP 239.A N ASN 236.A OD1 no hydrogen 2.864 N/A LEU 240.A N LEU 303.A O no hydrogen 2.825 N/A ILE 241.A N ALA 234.A O no hydrogen 2.850 N/A ILE 242.A N LEU 301.A O no hydrogen 2.778 N/A ARG 243.A N THR 232.A O no hydrogen 2.879 N/A ARG 243.A NH2 THR 232.A OG1 no hydrogen 2.926 N/A ILE 244.A N VAL 299.A O no hydrogen 2.810 N/A SER 245.A N VAL 230.A O no hydrogen 2.836 N/A SER 245.A OG ASP 298.A OD1 no hydrogen 2.841 N/A ASP 246.A N THR 297.A O no hydrogen 2.934 N/A GLY 248.A N ASP 246.A OD2 no hydrogen 2.876 N/A GLY 249.A N ILE 295.A O no hydrogen 2.991 N/A ILE 251.A N SER 291.A OG no hydrogen 2.796 N/A LYS 254.A NZ ASP 255.A OD1 no hydrogen 3.075 N/A ASP 255.A N ALA 252.A O no hydrogen 2.896 N/A LEU 256.A N HIS 253.A O no hydrogen 3.366 N/A ARG 258.A N ASP 255.A O no hydrogen 2.835 N/A VAL 259.A N ASP 255.A O no hydrogen 3.120 N/A ASP 261.A N ARG 258.A O no hydrogen 2.931 N/A TYR 262.A OH ASP 122.A OD1 no hydrogen 2.687 N/A HIS 263.A N GLY 270.A O no hydrogen 3.130 N/A HIS 263.A NE2 ALA 101.A O no hydrogen 2.689 N/A PHE 264.A N ASP 261.A O no hydrogen 3.234 N/A ALA 267.A N THR 265.A OG1 no hydrogen 3.155 N/A THR 275.A N PHE 271.A O no hydrogen 2.953 N/A THR 275.A OG1 PHE 271.A O no hydrogen 2.952 N/A THR 275.A OG1 GLY 272.A O no hydrogen 3.327 N/A SER 276.A N GLY 272.A O no hydrogen 3.064 N/A SER 276.A OG GLY 272.A O no hydrogen 2.609 N/A ARG 277.A N LEU 273.A O no hydrogen 2.940 N/A ALA 278.A N PRO 274.A O no hydrogen 3.002 N/A TYR 279.A N THR 275.A O no hydrogen 2.917 N/A ALA 280.A N SER 276.A O no hydrogen 3.025 N/A GLU 281.A N ARG 277.A O no hydrogen 2.970 N/A TYR 282.A N ALA 278.A O no hydrogen 2.810 N/A LEU 283.A N TYR 279.A O no hydrogen 3.197 N/A LEU 283.A N ALA 280.A O no hydrogen 3.123 N/A GLY 284.A N GLU 281.A O no hydrogen 2.846 N/A GLY 285.A N ALA 280.A O no hydrogen 2.743 N/A SER 286.A N ARG 302.A O no hydrogen 2.904 N/A GLN 288.A N TYR 300.A O no hydrogen 2.946 N/A GLN 290.A N ASP 298.A O no hydrogen 2.770 N/A SER 291.A OG ILE 251.A O no hydrogen 2.722 N/A LEU 292.A N GLY 296.A O no hydrogen 2.791 N/A GLN 293.A N GLN 293.A OE1 no hydrogen 2.811 N/A GLN 293.A NE2 ILE 251.A O no hydrogen 3.022 N/A GLY 294.A N GLY 249.A O no hydrogen 2.832 N/A ILE 295.A N LEU 292.A O no hydrogen 2.721 N/A GLY 296.A N LEU 292.A O no hydrogen 3.039 N/A THR 297.A N ASP 246.A OD2 no hydrogen 3.056 N/A ASP 298.A N GLN 290.A O no hydrogen 2.870 N/A VAL 299.A N ILE 244.A O no hydrogen 2.922 N/A TYR 300.A N GLN 288.A O no hydrogen 2.840 N/A LEU 301.A N ILE 242.A O no hydrogen 2.908 N/A ARG 302.A N SER 286.A O no hydrogen 2.932 N/A LEU 303.A N LEU 240.A O no hydrogen 2.976 N/A HIS 305.A N VAL 238.A O no hydrogen 3.160 N/A