Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r3e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLY 110.A O no hydrogen 2.919 N/A ILE 4.A N VAL 7.A O no hydrogen 2.650 N/A ASP 5.A N SER 109.A OG no hydrogen 2.783 N/A GLY 6.A N TYR 108.A O no hydrogen 2.999 N/A VAL 7.A N ILE 4.A O no hydrogen 2.480 N/A TRP 8.A NE1 GLU 74.A O no hydrogen 2.915 N/A HIS 9.A N GLN 2.A O no hydrogen 2.950 N/A PHE 11.A N ASN 128.A OD1 no hydrogen 3.281 N/A ARG 12.A NE GLU 132.A OE1 no hydrogen 3.076 N/A ARG 12.A NH2 GLU 132.A OE2 no hydrogen 3.205 N/A ASN 13.A N VAL 126.A O no hydrogen 2.936 N/A ASN 13.A ND2 ILE 125.A O no hydrogen 3.603 N/A ASN 13.A ND2 VAL 126.A O no hydrogen 3.111 N/A THR 16.A N PHE 29.A O no hydrogen 3.112 N/A THR 16.A OG1 ASP 18.A OD1 no hydrogen 3.417 N/A THR 16.A OG1 ALA 20.A O no hydrogen 2.829 N/A GLY 19.A N THR 16.A OG1 no hydrogen 3.001 N/A ALA 20.A N ASP 18.A OD1 no hydrogen 3.083 N/A THR 24.A OG1 ARG 12.A O no hydrogen 2.540 N/A THR 26.A N ASN 13.A OD1 no hydrogen 2.755 N/A GLY 28.A N GLY 19.A O no hydrogen 2.591 N/A ALA 31.A N THR 16.A O no hydrogen 2.933 N/A ARG 35.A NE ASP 119.A OD1 no hydrogen 2.922 N/A ARG 35.A NE ASP 119.A OD2 no hydrogen 3.435 N/A ARG 35.A NH1 GLY 28.A O no hydrogen 2.884 N/A ARG 35.A NH1 ASP 119.A OD2 no hydrogen 2.936 N/A ARG 35.A NH2 GLY 28.A O no hydrogen 3.536 N/A ARG 35.A NH2 GLU 32.A OE2 no hydrogen 2.792 N/A TYR 36.A OH ILE 30.A O no hydrogen 2.456 N/A HIS 37.A N TRP 118.A O no hydrogen 2.915 N/A HIS 37.A ND1 SER 64.A OG no hydrogen 2.374 N/A HIS 37.A NE2 SER 66.A OG no hydrogen 2.841 N/A LEU 38.A N SER 64.A O no hydrogen 2.900 N/A TYR 39.A N VAL 116.A O no hydrogen 2.732 N/A TYR 39.A OH ASP 89.A OD1 no hydrogen 2.804 N/A VAL 40.A N SER 66.A O no hydrogen 3.070 N/A ALA 43.A N SER 41.A OG no hydrogen 3.018 N/A CYS 44.A N SER 41.A O no hydrogen 3.359 N/A CYS 44.A SG VAL 114.A O no hydrogen 3.834 N/A HIS 48.A N CYS 44.A O no hydrogen 2.853 N/A HIS 48.A NE2 THR 267.A OG1 no hydrogen 2.705 N/A ARG 49.A N TRP 46.A O no hydrogen 3.199 N/A ARG 49.A NH2 ASN 172.A OD1 no hydrogen 3.496 N/A THR 50.A N ALA 47.A O no hydrogen 2.939 N/A THR 50.A OG1 ALA 47.A O no hydrogen 2.736 N/A LEU 51.A N ALA 47.A O no hydrogen 3.338 N/A ILE 52.A N HIS 48.A O no hydrogen 2.992 N/A MET 53.A N ARG 49.A O no hydrogen 2.974 N/A ARG 54.A N THR 50.A O no hydrogen 2.941 N/A ARG 54.A NE ILE 63.A O no hydrogen 2.814 N/A ARG 54.A NH2 ILE 63.A O no hydrogen 2.966 N/A LYS 55.A N LEU 51.A O no hydrogen 3.132 N/A LYS 55.A NZ GLU 60.A OE2 no hydrogen 2.888 N/A LYS 55.A NZ GLU 266.A OE1 no hydrogen 3.052 N/A LEU 56.A N ILE 52.A O no hydrogen 2.842 N/A LYS 57.A N MET 53.A O no hydrogen 2.876 N/A LYS 57.A NZ ASP 142.A OD1 no hydrogen 2.751 N/A LYS 57.A NZ LYS 147.A O no hydrogen 2.763 N/A LYS 57.A NZ GLY 149.A O no hydrogen 2.789 N/A GLY 58.A N LYS 55.A O no hydrogen 3.102 N/A LEU 59.A N ARG 54.A O no hydrogen 2.875 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.694 N/A PHE 62.A N LEU 59.A O no hydrogen 2.842 N/A ILE 63.A N LEU 59.A O no hydrogen 2.887 N/A SER 64.A OG HIS 37.A ND1 no hydrogen 2.374 N/A SER 66.A N LEU 38.A O no hydrogen 2.969 N/A SER 66.A OG HIS 37.A NE2 no hydrogen 2.841 N/A SER 66.A OG THR 90.A OG1 no hydrogen 2.871 N/A VAL 67.A N THR 87.A OG1 no hydrogen 2.810 N/A VAL 68.A N VAL 40.A O no hydrogen 2.975 N/A ASN 69.A N THR 78.A O no hydrogen 2.964 N/A ASN 69.A ND2 ASP 80.A O no hydrogen 2.968 N/A LEU 71.A N ASN 69.A OD1 no hydrogen 3.151 N/A MET 72.A N SER 280.A OG no hydrogen 2.941 N/A GLY 76.A N LEU 73.A O no hydrogen 3.392 N/A PHE 79.A N GLU 95.A O no hydrogen 2.922 N/A ASP 80.A N THR 78.A OG1 no hydrogen 3.172 N/A SER 82.A N ASP 80.A OD1 no hydrogen 2.692 N/A SER 82.A OG ASP 80.A OD1 no hydrogen 2.068 N/A ALA 86.A N PHE 83.A O no hydrogen 3.058 N/A THR 87.A N VAL 67.A O no hydrogen 2.968 N/A THR 87.A OG1 VAL 67.A O no hydrogen 3.460 N/A THR 87.A OG1 GLY 88.A O no hydrogen 2.601 N/A THR 90.A N SER 66.A OG no hydrogen 3.160 N/A THR 90.A OG1 SER 66.A OG no hydrogen 2.871 N/A LEU 91.A N ASP 89.A OD1 no hydrogen 3.001 N/A TYR 92.A N ASP 89.A OD1 no hydrogen 3.027 N/A TYR 92.A OH HIS 123.A ND1 no hydrogen 3.177 N/A GLN 93.A N ASP 89.A O no hydrogen 2.952 N/A ASN 94.A N ASP 89.A OD2 no hydrogen 2.903 N/A ASN 94.A ND2 ASP 89.A OD2 no hydrogen 2.752 N/A GLU 95.A N GLN 99.A OE1 no hydrogen 2.723 N/A PHE 96.A N GLN 99.A OE1 no hydrogen 2.861 N/A LEU 97.A N TRP 77.A O no hydrogen 3.015 N/A GLN 99.A N PHE 96.A O no hydrogen 2.794 N/A LEU 100.A N LEU 97.A O no hydrogen 2.917 N/A TYR 101.A OH THR 113.A O no hydrogen 2.629 N/A TYR 101.A OH THR 113.A OG1 no hydrogen 3.399 N/A LEU 102.A N TYR 98.A O no hydrogen 3.020 N/A HIS 103.A N GLN 99.A O no hydrogen 3.102 N/A ALA 104.A N LEU 100.A O no hydrogen 3.238 N/A ASP 105.A N TYR 101.A O no hydrogen 2.931 N/A HIS 107.A N ASP 105.A OD1 no hydrogen 3.135 N/A TYR 108.A N ASP 105.A O no hydrogen 2.901 N/A TYR 108.A OH ARG 111.A O no hydrogen 3.306 N/A GLY 110.A N LEU 3.A O no hydrogen 2.822 N/A THR 113.A N TYR 101.A OH no hydrogen 3.027 N/A THR 113.A OG1 TYR 101.A OH no hydrogen 3.399 N/A VAL 116.A N TYR 39.A O no hydrogen 2.790 N/A LEU 117.A N SER 127.A O no hydrogen 2.864 N/A TRP 118.A N HIS 37.A O no hydrogen 2.674 N/A TRP 118.A NE1 TYR 92.A OH no hydrogen 2.935 N/A ASP 119.A N THR 124.A O no hydrogen 2.721 N/A LYS 120.A N ARG 35.A O no hydrogen 2.672 N/A LYS 120.A NZ SER 64.A OG no hydrogen 3.129 N/A LYS 121.A N ASP 119.A OD1 no hydrogen 2.890 N/A ASN 122.A N ASP 119.A OD1 no hydrogen 3.286 N/A HIS 123.A ND1 TYR 92.A OH no hydrogen 3.177 N/A THR 124.A N ASP 119.A O no hydrogen 3.381 N/A VAL 126.A N LEU 117.A O no hydrogen 2.824 N/A SER 127.A N LEU 117.A O no hydrogen 3.402 N/A ASN 128.A N PHE 11.A O no hydrogen 3.125 N/A ASN 128.A ND2 TYR 101.A OH no hydrogen 3.180 N/A GLU 129.A N SER 127.A OG no hydrogen 3.081 N/A ALA 131.A N GLU 129.A OE2 no hydrogen 3.060 N/A GLU 132.A N GLU 129.A O no hydrogen 2.978 N/A ILE 133.A N GLU 129.A O no hydrogen 3.017 N/A ILE 134.A N SER 130.A O no hydrogen 3.090 N/A ARG 135.A NE GLU 218.A OE1 no hydrogen 3.422 N/A ARG 135.A NE GLU 218.A OE2 no hydrogen 2.827 N/A ARG 135.A NH2 GLU 218.A OE1 no hydrogen 2.743 N/A MET 136.A N GLU 132.A O no hydrogen 2.953 N/A PHE 137.A N ILE 133.A O no hydrogen 2.877 N/A ASN 138.A N ILE 134.A O no hydrogen 2.952 N/A ASN 138.A ND2 ASP 150.A OD1 no hydrogen 2.736 N/A THR 139.A N MET 136.A O no hydrogen 3.270 N/A ALA 140.A N MET 136.A O no hydrogen 2.885 N/A ASP 142.A N THR 139.A O no hydrogen 3.210 N/A LEU 144.A N PHE 141.A O no hydrogen 2.929 N/A ALA 146.A N PHE 141.A O no hydrogen 3.124 N/A LYS 147.A N LYS 57.A O no hydrogen 2.909 N/A TYR 151.A N ASN 138.A OD1 no hydrogen 2.827 N/A TYR 152.A N ASP 150.A OD1 no hydrogen 2.792 N/A TYR 152.A OH ASP 161.A OD1 no hydrogen 2.748 N/A TYR 152.A OH ASP 161.A OD2 no hydrogen 3.064 N/A LEU 156.A N PRO 153.A O no hydrogen 2.905 N/A GLN 157.A N PRO 154.A O no hydrogen 3.383 N/A GLN 157.A NE2 TYR 152.A O no hydrogen 2.963 N/A ILE 160.A N LEU 156.A O no hydrogen 2.865 N/A ASP 161.A N GLN 157.A O no hydrogen 2.839 N/A GLU 162.A N THR 158.A O no hydrogen 3.066 N/A LEU 163.A N LYS 159.A O no hydrogen 2.928 N/A ASN 164.A N ILE 160.A O no hydrogen 2.857 N/A ASN 164.A ND2 GLU 218.A OE1 no hydrogen 2.813 N/A GLY 165.A N ASP 161.A O no hydrogen 3.027 N/A ILE 167.A N LEU 163.A O no hydrogen 2.921 N/A TYR 168.A N ASN 164.A O no hydrogen 2.850 N/A ASP 169.A N GLY 165.A O no hydrogen 3.187 N/A THR 170.A N TRP 166.A O no hydrogen 2.790 N/A THR 170.A OG1 TRP 166.A O no hydrogen 2.734 N/A THR 170.A OG1 SER 197.A OG no hydrogen 2.559 N/A VAL 171.A N ILE 167.A O no hydrogen 2.913 N/A ASN 172.A N ILE 167.A O no hydrogen 2.924 N/A ASN 172.A ND2 ARG 222.A O no hydrogen 2.942 N/A ASN 172.A ND2 THR 226.A OG1 no hydrogen 2.775 N/A ASN 173.A N TYR 168.A O no hydrogen 2.960 N/A VAL 175.A N VAL 171.A O no hydrogen 3.245 N/A TYR 176.A OH TYR 277.A OH no hydrogen 2.456 N/A LYS 177.A N ASN 173.A O no hydrogen 2.980 N/A LYS 177.A NZ ASP 169.A O no hydrogen 2.864 N/A ALA 178.A N GLY 174.A O no hydrogen 3.061 N/A GLY 179.A N VAL 175.A O no hydrogen 2.812 N/A PHE 180.A N TYR 176.A O no hydrogen 2.947 N/A ALA 181.A N ALA 178.A O no hydrogen 3.232 N/A GLN 184.A NE2 ASP 188.A OD1 no hydrogen 2.766 N/A ALA 186.A N SER 183.A O no hydrogen 3.176 N/A ALA 186.A N SER 183.A OG no hydrogen 3.129 N/A TYR 187.A N SER 183.A O no hydrogen 2.954 N/A TYR 187.A OH LYS 239.A O no hydrogen 2.357 N/A ASP 188.A N GLN 184.A O no hydrogen 2.795 N/A GLU 189.A N GLU 185.A O no hydrogen 3.139 N/A ALA 190.A N ALA 186.A O no hydrogen 3.128 N/A VAL 191.A N TYR 187.A O no hydrogen 2.904 N/A ALA 192.A N ASP 188.A O no hydrogen 3.157 N/A LYS 193.A N GLU 189.A O no hydrogen 3.280 N/A VAL 194.A N ALA 190.A O no hydrogen 2.992 N/A PHE 195.A N VAL 191.A O no hydrogen 3.212 N/A GLU 196.A N ALA 192.A O no hydrogen 2.929 N/A SER 197.A N LYS 193.A O no hydrogen 2.928 N/A SER 197.A OG THR 170.A OG1 no hydrogen 2.559 N/A SER 197.A OG LYS 193.A O no hydrogen 3.430 N/A LEU 198.A N VAL 194.A O no hydrogen 2.981 N/A ALA 199.A N PHE 195.A O no hydrogen 3.015 N/A ARG 200.A N GLU 196.A O no hydrogen 3.038 N/A ARG 200.A NH2 GLU 196.A OE2 no hydrogen 2.987 N/A LEU 201.A N SER 197.A O no hydrogen 2.709 N/A GLU 202.A N LEU 198.A O no hydrogen 2.814 N/A GLN 203.A N ALA 199.A O no hydrogen 3.136 N/A ILE 204.A N ARG 200.A O no hydrogen 2.976 N/A LEU 205.A N LEU 201.A O no hydrogen 2.823 N/A GLY 206.A N GLN 203.A O no hydrogen 3.042 N/A GLN 207.A N ILE 204.A O no hydrogen 3.032 N/A HIS 208.A ND1 TYR 210.A O no hydrogen 2.738 N/A ARG 209.A NE ASP 257.A OD2 no hydrogen 2.836 N/A ARG 209.A NH2 ASP 257.A OD1 no hydrogen 2.945 N/A ARG 209.A NH2 ASP 257.A OD2 no hydrogen 3.506 N/A TYR 210.A N GLY 213.A O no hydrogen 2.926 N/A LEU 211.A N ASP 220.A OD1 no hydrogen 2.801 N/A GLY 213.A N TYR 210.A O no hydrogen 3.457 N/A THR 217.A N ASP 220.A OD2 no hydrogen 2.815 N/A THR 217.A OG1 ASP 220.A OD2 no hydrogen 3.002 N/A GLU 218.A N TYR 151.A O no hydrogen 2.790 N/A ALA 219.A N THR 217.A OG1 no hydrogen 3.072 N/A ILE 221.A N THR 217.A O no hydrogen 3.336 N/A ARG 222.A N GLU 218.A O no hydrogen 2.878 N/A LEU 223.A N ALA 219.A O no hydrogen 3.022 N/A TRP 224.A N ASP 220.A O no hydrogen 2.695 N/A TRP 224.A NE1 LEU 255.A O no hydrogen 2.947 N/A THR 225.A N ILE 221.A O no hydrogen 3.301 N/A THR 225.A OG1 PRO 45.A O no hydrogen 3.023 N/A THR 225.A OG1 ARG 222.A O no hydrogen 3.320 N/A LEU 227.A N LEU 223.A O no hydrogen 3.037 N/A VAL 228.A N TRP 224.A O no hydrogen 2.918 N/A ARG 229.A N THR 226.A O no hydrogen 3.004 N/A ARG 229.A NE ALA 43.A O no hydrogen 2.841 N/A ARG 229.A NH1 LEU 42.A O no hydrogen 3.010 N/A ARG 229.A NH1 HIS 48.A ND1 no hydrogen 3.132 N/A ARG 229.A NH2 HIS 48.A ND1 no hydrogen 2.914 N/A ARG 229.A NH2 THR 225.A O no hydrogen 2.917 N/A PHE 230.A N LEU 227.A O no hydrogen 3.157 N/A VAL 233.A N ARG 229.A O no hydrogen 3.043 N/A TYR 234.A N ARG 229.A O no hydrogen 3.164 N/A TYR 234.A OH TYR 277.A OH no hydrogen 2.830 N/A VAL 235.A N PHE 230.A O no hydrogen 2.775 N/A HIS 237.A N VAL 233.A O no hydrogen 2.774 N/A HIS 237.A NE2 HIS 281.A ND1 no hydrogen 3.096 N/A PHE 238.A N TYR 234.A O no hydrogen 3.161 N/A LYS 239.A N THR 236.A O no hydrogen 3.212 N/A CYS 240.A N TYR 234.A O no hydrogen 3.100 N/A CYS 240.A SG PHE 238.A O no hydrogen 3.847 N/A ARG 244.A N ASP 247.A OD2 no hydrogen 2.869 N/A ARG 244.A NE.A ASP 247.A OD2 no hydrogen 3.373 N/A ARG 244.A NH2.A ASP 247.A OD1 no hydrogen 2.797 N/A ILE 245.A N ASP 231.A OD1 no hydrogen 2.722 N/A SER 246.A N ASP 231.A OD2 no hydrogen 3.021 N/A ASP 247.A N ARG 244.A O no hydrogen 2.797 N/A TYR 248.A N ILE 245.A O no hydrogen 2.959 N/A ASN 250.A N GLU 202.A OE2 no hydrogen 2.805 N/A ASN 250.A ND2 GLU 202.A O no hydrogen 3.398 N/A LEU 251.A N GLU 202.A OE1 no hydrogen 2.888 N/A TYR 252.A N TYR 248.A O no hydrogen 3.045 N/A GLY 253.A N LEU 249.A O no hydrogen 3.114 N/A PHE 254.A N ASN 250.A O no hydrogen 2.890 N/A LEU 255.A N LEU 251.A O no hydrogen 2.784 N/A ARG 256.A N TYR 252.A O no hydrogen 3.015 N/A ARG 256.A NE TYR 252.A O no hydrogen 3.332 N/A ARG 256.A NH1 GLU 300.A O no hydrogen 3.230 N/A ASP 257.A N GLY 253.A O no hydrogen 2.767 N/A ILE 258.A N PHE 254.A O no hydrogen 3.123 N/A TYR 259.A N LEU 255.A O no hydrogen 3.131 N/A GLN 260.A N ARG 256.A O no hydrogen 3.046 N/A GLN 260.A N ASP 257.A O no hydrogen 3.314 N/A GLN 260.A NE2 LEU 298.A O no hydrogen 2.856 N/A GLN 260.A NE2 GLU 300.A O no hydrogen 2.870 N/A MET 261.A N ILE 258.A O no hydrogen 3.183 N/A ILE 264.A N MET 261.A O no hydrogen 3.025 N/A THR 267.A N ILE 264.A O no hydrogen 2.818 N/A THR 267.A OG1 HIS 48.A NE2 no hydrogen 2.705 N/A THR 267.A OG1 ILE 264.A O no hydrogen 2.707 N/A VAL 268.A N ALA 265.A O no hydrogen 2.985 N/A HIS 272.A N ASN 269.A OD1 no hydrogen 2.852 N/A HIS 272.A NE2 PRO 84.A O no hydrogen 2.932 N/A ILE 273.A N ASN 269.A O no hydrogen 3.117 N/A ARG 274.A N PHE 270.A O no hydrogen 2.815 N/A ARG 274.A NE PRO 232.A O no hydrogen 2.995 N/A ARG 274.A NH1 PRO 232.A O no hydrogen 3.193 N/A ARG 274.A NH1 SER 291.A O no hydrogen 2.908 N/A ARG 274.A NH1 SER 291.A OG no hydrogen 3.194 N/A ARG 274.A NH2 SER 291.A O no hydrogen 2.888 N/A ARG 274.A NH2 ILE 292.A O no hydrogen 3.463 N/A ASN 275.A N ASP 271.A O no hydrogen 2.925 N/A ASN 275.A ND2 ASP 271.A O no hydrogen 2.949 N/A HIS 276.A N HIS 272.A O no hydrogen 2.801 N/A HIS 276.A ND1 PRO 70.A O no hydrogen 2.770 N/A TYR 277.A N ILE 273.A O no hydrogen 3.234 N/A TYR 277.A OH TYR 176.A OH no hydrogen 2.456 N/A PHE 278.A N ARG 274.A O no hydrogen 3.062 N/A ARG 279.A N ASN 275.A O no hydrogen 3.117 N/A ARG 279.A NH1 ASN 275.A OD1 no hydrogen 3.022 N/A SER 280.A N HIS 276.A O no hydrogen 3.016 N/A SER 280.A OG HIS 276.A ND1 no hydrogen 3.413 N/A SER 280.A OG HIS 276.A O no hydrogen 2.710 N/A HIS 281.A ND1 HIS 237.A NE2 no hydrogen 3.096 N/A LYS 282.A NZ ARG 279.A O no hydrogen 3.114 N/A ILE 284.A N HIS 281.A O no hydrogen 2.912 N/A ASN 285.A N HIS 281.A O no hydrogen 2.863 N/A ASN 285.A ND2 PHE 278.A O no hydrogen 3.005 N/A ASN 285.A ND2 ILE 289.A O no hydrogen 2.854 N/A THR 287.A OG1 ASN 285.A OD1 no hydrogen 3.457 N/A GLY 288.A N ASN 285.A O no hydrogen 2.758 N/A ILE 289.A N THR 287.A OG1 no hydrogen 3.413 N/A ASP 297.A N TYR 252.A OH no hydrogen 3.232 N/A ASP 299.A N ASP 297.A OD1 no hydrogen 3.037 N/A ARG 304.A N HIS 302.A ND1 no hydrogen 2.942 N/A ARG 304.A NH1 LEU 205.A O no hydrogen 3.125 N/A ARG 304.A NH1 ASN 250.A OD1 no hydrogen 3.088 N/A ARG 304.A NH2 LEU 205.A O no hydrogen 2.801 N/A ARG 304.A NH2 ARG 209.A O no hydrogen 2.930 N/A VAL 306.A N GLY 303.A O no hydrogen 3.025 N/A ARG 307.A N GLY 303.A O no hydrogen 2.980 N/A