Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ror_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLU 107.A OE2 no hydrogen 2.714 N/A GLY 7.A N ASP 115.A OD2 no hydrogen 2.824 N/A VAL 8.A N SER 116.A OG no hydrogen 3.064 N/A SER 10.A OG ASP 72.A OD1 no hydrogen 2.471 N/A ARG 13.A NH1 ASP 72.A OD1 no hydrogen 3.204 N/A ARG 13.A NH1 ASP 75.A OD2 no hydrogen 2.777 N/A ARG 13.A NH2 ASP 72.A OD2 no hydrogen 2.915 N/A ILE 19.A N PRO 16.A O no hydrogen 3.173 N/A ARG 21.A NH1 PRO 16.A O no hydrogen 2.979 N/A ARG 21.A NH1 ILE 19.A O no hydrogen 2.737 N/A ARG 21.A NH2 VAL 15.A O no hydrogen 2.811 N/A TYR 24.A OH SER 90.A O no hydrogen 2.863 N/A VAL 25.A N PRO 22.A O no hydrogen 3.321 N/A LYS 27.A N TYR 24.A O no hydrogen 2.880 N/A LYS 27.A NZ GLU 23.A OE2 no hydrogen 2.629 N/A GLN 31.A N GLU 23.A OE1 no hydrogen 2.680 N/A GLY 33.A N GLU 35.A OE1 no hydrogen 2.999 N/A SER 34.A N GLU 35.A OE2 no hydrogen 3.362 N/A GLN 39.A N GLY 229.A O no hydrogen 2.729 N/A GLN 39.A NE2 PRO 36.A O no hydrogen 3.173 N/A GLN 39.A NE2 TRP 37.A O no hydrogen 3.437 N/A GLN 39.A NE2 THR 231.A OG1 no hydrogen 3.287 N/A VAL 43.A N THR 40.A OG1 no hydrogen 3.209 N/A ILE 44.A N THR 40.A O no hydrogen 3.144 N/A GLU 45.A N PRO 41.A O no hydrogen 3.140 N/A LYS 46.A N GLU 42.A O no hydrogen 3.106 N/A LYS 46.A NZ GLU 42.A OE2 no hydrogen 2.715 N/A MET 47.A N VAL 43.A O no hydrogen 2.954 N/A ARG 48.A N ILE 44.A O no hydrogen 3.128 N/A ARG 48.A N GLU 45.A O no hydrogen 3.254 N/A ARG 48.A NE GLU 277.A OE1 no hydrogen 3.436 N/A ARG 48.A NE GLU 277.A OE2 no hydrogen 2.655 N/A ARG 48.A NH2 GLU 277.A OE1 no hydrogen 2.891 N/A VAL 49.A N LYS 46.A O no hydrogen 3.296 N/A ALA 50.A N LYS 46.A O no hydrogen 3.139 N/A GLY 51.A N MET 47.A O no hydrogen 2.845 N/A ARG 52.A N ARG 48.A O no hydrogen 3.022 N/A ILE 53.A N VAL 49.A O no hydrogen 3.220 N/A ALA 54.A N ALA 50.A O no hydrogen 2.960 N/A ALA 55.A N GLY 51.A O no hydrogen 2.924 N/A GLY 56.A N ARG 52.A O no hydrogen 2.818 N/A ALA 57.A N ILE 53.A O no hydrogen 2.990 N/A LEU 58.A N ALA 54.A O no hydrogen 3.081 N/A ALA 59.A N ALA 55.A O no hydrogen 3.361 N/A GLU 60.A N GLY 56.A O no hydrogen 3.185 N/A ALA 61.A N ALA 57.A O no hydrogen 3.093 N/A GLY 62.A N LEU 58.A O no hydrogen 2.784 N/A LYS 63.A N ALA 59.A O no hydrogen 2.883 N/A LYS 63.A NZ GLU 60.A OE2 no hydrogen 2.459 N/A ALA 64.A N ALA 61.A O no hydrogen 3.151 N/A VAL 65.A N GLY 62.A O no hydrogen 3.196 N/A GLY 68.A N ILE 119.A O no hydrogen 2.823 N/A VAL 69.A N ALA 66.A O no hydrogen 3.251 N/A THR 71.A N THR 117.A O no hydrogen 3.094 N/A THR 71.A OG1 ASP 115.A O no hydrogen 3.332 N/A THR 71.A OG1 ASP 115.A OD1 no hydrogen 3.418 N/A ASP 72.A N ASP 115.A O no hydrogen 2.744 N/A GLU 73.A N THR 70.A O no hydrogen 3.075 N/A GLU 73.A N THR 70.A OG1 no hydrogen 3.128 N/A LEU 74.A N THR 70.A O no hydrogen 3.277 N/A ASP 75.A N THR 71.A O no hydrogen 3.057 N/A ARG 76.A N ASP 72.A O no hydrogen 2.988 N/A ARG 76.A NH2 GLU 73.A OE1 no hydrogen 2.694 N/A ILE 77.A N GLU 73.A O no hydrogen 3.124 N/A ALA 78.A N LEU 74.A O no hydrogen 2.803 N/A HIS 79.A N ASP 75.A O no hydrogen 2.710 N/A HIS 79.A ND1 SER 100.A OG no hydrogen 2.604 N/A HIS 79.A NE2 PRO 14.A O no hydrogen 2.883 N/A GLU 80.A N ARG 76.A O no hydrogen 2.893 N/A TYR 81.A N ILE 77.A O no hydrogen 3.114 N/A LEU 82.A N ALA 78.A O no hydrogen 3.046 N/A VAL 83.A N HIS 79.A O no hydrogen 3.048 N/A ASP 84.A N GLU 80.A O no hydrogen 3.006 N/A ASN 85.A N LEU 82.A O no hydrogen 3.004 N/A ASN 85.A ND2 TYR 81.A O no hydrogen 2.745 N/A GLY 86.A N VAL 83.A O no hydrogen 3.235 N/A ALA 87.A N LEU 82.A O no hydrogen 2.703 N/A TYR 88.A N TYR 132.A O no hydrogen 3.008 N/A TYR 88.A OH LEU 92.A O no hydrogen 2.472 N/A SER 90.A N THR 130.A O no hydrogen 3.046 N/A SER 90.A OG HIS 137.A ND1 no hydrogen 2.966 N/A THR 91.A OG1 LYS 99.A O no hydrogen 3.070 N/A LEU 92.A N PRO 89.A O no hydrogen 2.994 N/A GLY 93.A N PHE 97.A O no hydrogen 2.891 N/A TYR 94.A N THR 91.A O no hydrogen 2.927 N/A TYR 94.A OH GLU 32.A OE2 no hydrogen 2.343 N/A LYS 95.A NZ TYR 94.A OH no hydrogen 3.256 N/A PHE 97.A N TYR 94.A O no hydrogen 3.075 N/A LYS 99.A NZ SER 10.A O no hydrogen 3.139 N/A LYS 99.A NZ SER 10.A OG no hydrogen 2.999 N/A SER 100.A N ASP 75.A OD1 no hydrogen 2.710 N/A SER 100.A OG HIS 79.A ND1 no hydrogen 2.604 N/A CYS 101.A N ASP 75.A OD1 no hydrogen 3.228 N/A CYS 101.A SG ASP 75.A OD1 no hydrogen 3.696 N/A SER 102.A N ASP 128.A O no hydrogen 3.081 N/A SER 102.A OG GLY 112.A O no hydrogen 2.645 N/A THR 103.A N GLY 112.A O no hydrogen 3.002 N/A SER 104.A N ASN 126.A O no hydrogen 2.847 N/A ASN 106.A N ILE 124.A O no hydrogen 2.861 N/A ASN 106.A ND2 ASP 123.A OD1 no hydrogen 2.995 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.877 N/A VAL 108.A N LEU 105.A O no hydrogen 2.765 N/A ILE 109.A N VAL 254.A O no hydrogen 2.899 N/A GLY 112.A N SER 104.A OG no hydrogen 3.212 N/A ASP 115.A N THR 71.A OG1 no hydrogen 2.848 N/A THR 117.A N ASP 115.A OD1 no hydrogen 3.178 N/A THR 117.A OG1 ASP 115.A OD1 no hydrogen 2.468 N/A ILE 119.A N VAL 69.A O no hydrogen 3.050 N/A THR 120.A N ASP 123.A OD2 no hydrogen 3.001 N/A GLY 122.A N ALA 146.A O no hydrogen 2.800 N/A ASP 123.A N THR 120.A O no hydrogen 3.289 N/A ILE 124.A N ASN 106.A OD1 no hydrogen 2.905 N/A VAL 125.A N PHE 144.A O no hydrogen 2.800 N/A ASN 126.A N SER 104.A O no hydrogen 2.703 N/A ASN 126.A ND2 ASN 141.A OD1 no hydrogen 3.003 N/A ASN 126.A ND2 THR 143.A OG1 no hydrogen 3.078 N/A ASN 126.A ND2 GLN 264.A O no hydrogen 2.889 N/A ILE 127.A N ALA 142.A O no hydrogen 3.049 N/A ASP 128.A N SER 102.A O no hydrogen 2.891 N/A VAL 129.A N THR 140.A O no hydrogen 3.055 N/A THR 130.A OG1 ASP 139.A OD2 no hydrogen 3.194 N/A ALA 131.A N GLY 138.A O no hydrogen 2.816 N/A TYR 132.A N TYR 88.A O no hydrogen 2.947 N/A ILE 133.A N VAL 136.A O no hydrogen 3.133 N/A VAL 136.A N ILE 133.A O no hydrogen 3.147 N/A HIS 137.A N GLY 205.A O no hydrogen 3.068 N/A HIS 137.A ND1 SER 90.A OG no hydrogen 2.966 N/A GLY 138.A N ALA 131.A O no hydrogen 2.994 N/A ASP 139.A N THR 268.A OG1 no hydrogen 3.047 N/A THR 140.A N VAL 129.A O no hydrogen 3.115 N/A THR 140.A OG1 GLU 266.A O no hydrogen 2.797 N/A ASN 141.A N GLU 266.A O no hydrogen 3.202 N/A ASN 141.A ND2 ASP 128.A OD1 no hydrogen 3.371 N/A ALA 142.A N ILE 127.A O no hydrogen 3.339 N/A THR 143.A OG1 GLN 264.A O no hydrogen 2.378 N/A PHE 144.A N VAL 125.A O no hydrogen 2.670 N/A ALA 146.A N ASP 123.A O no hydrogen 2.870 N/A VAL 149.A N GLY 147.A O no hydrogen 3.005 N/A HIS 153.A N ALA 150.A O no hydrogen 2.949 N/A ARG 154.A N ALA 150.A O no hydrogen 2.895 N/A LEU 155.A N ASP 151.A O no hydrogen 2.807 N/A LEU 156.A N GLU 152.A O no hydrogen 3.427 N/A VAL 157.A N HIS 153.A O no hydrogen 3.260 N/A ASP 158.A N ARG 154.A O no hydrogen 3.019 N/A ARG 159.A N LEU 155.A O no hydrogen 2.944 N/A ARG 159.A NH1 TYR 193.A OH no hydrogen 2.799 N/A THR 160.A N LEU 156.A O no hydrogen 2.977 N/A THR 160.A OG1 LEU 156.A O no hydrogen 2.975 N/A ARG 161.A N VAL 157.A O no hydrogen 2.975 N/A ARG 161.A NH1.A ASP 158.A OD1 no hydrogen 3.111 N/A GLU 162.A N ASP 158.A O no hydrogen 2.982 N/A ALA 163.A N ARG 159.A O no hydrogen 2.805 N/A THR 164.A N THR 160.A O no hydrogen 3.080 N/A THR 164.A OG1 THR 160.A O no hydrogen 3.049 N/A MET 165.A N ARG 161.A O no hydrogen 2.893 N/A ARG 166.A N GLU 162.A O no hydrogen 2.988 N/A ARG 166.A NE GLU 162.A OE2 no hydrogen 2.832 N/A ALA 167.A N ALA 163.A O no hydrogen 2.926 N/A ILE 168.A N THR 164.A O no hydrogen 2.958 N/A ASN 169.A N.A MET 165.A O no hydrogen 3.206 N/A ASN 169.A N.B MET 165.A O no hydrogen 3.166 N/A THR 170.A N ALA 167.A O no hydrogen 3.024 N/A THR 170.A OG1 ALA 167.A O no hydrogen 2.859 N/A VAL 171.A N ILE 168.A O no hydrogen 3.007 N/A GLY 174.A N MET 226.A O no hydrogen 2.846 N/A ARG 175.A N LYS 172.A O no hydrogen 3.108 N/A ARG 175.A NH1 THR 170.A O no hydrogen 3.053 N/A LEU 177.A N THR 224.A O no hydrogen 2.752 N/A VAL 179.A N ALA 176.A O no hydrogen 3.173 N/A ILE 180.A N LEU 177.A O no hydrogen 3.249 N/A ARG 182.A NH2 SER 178.A OG no hydrogen 3.265 N/A VAL 183.A N VAL 179.A O no hydrogen 3.076 N/A ILE 184.A N ILE 180.A O no hydrogen 3.095 N/A GLU 185.A N GLY 181.A O no hydrogen 3.173 N/A SER 186.A N ARG 182.A O no hydrogen 3.067 N/A TYR 187.A N VAL 183.A O no hydrogen 3.049 N/A ALA 188.A N ILE 184.A O no hydrogen 2.897 N/A ASN 189.A N GLU 185.A O no hydrogen 2.857 N/A ASN 189.A ND2 TYR 193.A O no hydrogen 3.186 N/A ARG 190.A N SER 186.A O no hydrogen 3.024 N/A ARG 190.A N TYR 187.A O no hydrogen 3.156 N/A PHE 191.A N ALA 188.A O no hydrogen 2.965 N/A GLY 192.A N ASN 189.A O no hydrogen 3.090 N/A TYR 193.A N ALA 188.A O no hydrogen 3.238 N/A ASN 194.A N ASN 239.A O no hydrogen 3.089 N/A ASN 194.A ND2 GLY 241.A O no hydrogen 3.246 N/A VAL 196.A N MET 237.A O no hydrogen 3.070 N/A THR 200.A OG1 GLY 201.A O no hydrogen 2.884 N/A GLY 201.A N VAL 214.A O no hydrogen 3.078 N/A HIS 202.A N THR 233.A OG1 no hydrogen 2.893 N/A GLY 203.A N LEU 212.A O no hydrogen 2.837 N/A ILE 204.A N THR 231.A O no hydrogen 3.192 N/A GLY 205.A N THR 207.A O no hydrogen 3.034 N/A THR 207.A OG1 GLU 35.A OE1 no hydrogen 2.646 N/A PHE 208.A N GLU 32.A OE1 no hydrogen 3.197 N/A HIS 209.A N GLU 32.A OE1 no hydrogen 2.921 N/A ASN 210.A N GLY 203.A O no hydrogen 2.965 N/A LEU 212.A N ASN 210.A OD1 no hydrogen 3.208 N/A VAL 214.A N GLY 201.A O no hydrogen 2.984 N/A ASP 218.A N GLU 185.A OE1 no hydrogen 2.792 N/A ALA 221.A N GLN 219.A OE1 no hydrogen 3.035 N/A MET 226.A N ARG 175.A O no hydrogen 2.804 N/A GLY 229.A N VAL 271.A O no hydrogen 2.607 N/A MET 230.A N GLN 227.A O no hydrogen 3.114 N/A THR 231.A OG1 ILE 204.A O no hydrogen 2.542 N/A PHE 232.A N LEU 269.A O no hydrogen 2.906 N/A THR 233.A N HIS 202.A O no hydrogen 2.654 N/A THR 233.A OG1 HIS 202.A O no hydrogen 3.547 N/A THR 233.A OG1 GLU 235.A OE2 no hydrogen 2.691 N/A THR 233.A OG1 GLU 266.A OE1 no hydrogen 3.492 N/A ILE 234.A N HIS 267.A O no hydrogen 3.198 N/A GLU 235.A N HIS 216.A NE2 no hydrogen 2.947 N/A ILE 238.A N ALA 263.A O no hydrogen 2.787 N/A ASN 239.A N ASN 194.A O no hydrogen 2.719 N/A ASN 239.A ND2 ALA 242.A O no hydrogen 2.991 N/A LEU 240.A N TRP 261.A O no hydrogen 3.052 N/A ALA 242.A N ASP 258.A OD2 no hydrogen 2.861 N/A TYR 245.A OH ASP 198.A OD2 no hydrogen 2.941 N/A GLU 246.A N VAL 255.A O no hydrogen 2.741 N/A TRP 248.A N THR 253.A O no hydrogen 3.012 N/A GLY 251.A N TRP 248.A O no hydrogen 2.774 N/A TRP 252.A N ASP 250.A OD1 no hydrogen 2.541 N/A THR 253.A N ASP 250.A OD1 no hydrogen 3.052 N/A THR 253.A OG1 ASP 250.A OD2 no hydrogen 2.856 N/A VAL 254.A N CYS 110.A O no hydrogen 3.163 N/A VAL 255.A N GLU 246.A O no hydrogen 2.827 N/A THR 256.A N GLU 107.A O no hydrogen 3.002 N/A THR 256.A OG1 LYS 260.A O no hydrogen 2.998 N/A LYS 257.A N ASP 244.A O no hydrogen 2.871 N/A ARG 259.A N THR 256.A O no hydrogen 3.258 N/A ARG 259.A NH1 GLU 246.A OE2 no hydrogen 2.513 N/A LYS 260.A N ASP 258.A OD1 no hydrogen 3.054 N/A THR 262.A OG1 ILE 238.A O no hydrogen 3.158 N/A THR 262.A OG1 ASN 239.A OD1 no hydrogen 2.731 N/A ALA 263.A N ILE 238.A O no hydrogen 2.928 N/A GLN 264.A N THR 143.A OG1 no hydrogen 3.033 N/A GLN 264.A NE2 GLU 235.A O no hydrogen 2.746 N/A GLU 266.A N ASN 141.A O no hydrogen 2.769 N/A HIS 267.A N ILE 234.A O no hydrogen 3.203 N/A HIS 267.A ND1 THR 280.A OG1 no hydrogen 2.788 N/A THR 268.A N THR 280.A OG1 no hydrogen 2.842 N/A THR 268.A OG1 ASP 139.A O no hydrogen 2.829 N/A LEU 269.A N PHE 232.A O no hydrogen 2.743 N/A LEU 270.A N GLU 277.A O no hydrogen 2.767 N/A VAL 271.A N MET 230.A O no hydrogen 2.778 N/A THR 272.A N GLY 275.A O no hydrogen 3.038 N/A GLY 275.A N THR 272.A OG1 no hydrogen 2.771 N/A GLU 277.A N LEU 270.A O no hydrogen 2.849 N/A LEU 279.A N THR 268.A O no hydrogen 2.894 N/A THR 280.A OG1 HIS 267.A ND1 no hydrogen 2.788 N/A CYS 281.A N LEU 279.A O no hydrogen 2.868 N/A CYS 281.A SG ILE 278.A O no hydrogen 3.650 N/A