Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vre_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH GLN 4.A OE1 no hydrogen 3.164 N/A GLN 4.A NE2 HIS 10.A O no hydrogen 3.497 N/A ALA 7.A N SER 5.A OG no hydrogen 3.190 N/A HIS 10.A ND1 TYR 12.A OH no hydrogen 2.673 N/A TYR 12.A OH HIS 10.A ND1 no hydrogen 2.673 N/A GLU 13.A N GLU 45.A OE2 no hydrogen 2.791 N/A SER 14.A N GLU 45.A OE1 no hydrogen 2.745 N/A SER 14.A OG GLU 45.A OE1 no hydrogen 2.802 N/A ARG 16.A N GLN 28.A O no hydrogen 2.870 N/A ARG 16.A NH2.B GLN 28.A OE1 no hydrogen 1.789 N/A THR 18.A N HIS 26.A O no hydrogen 2.894 N/A SER 19.A OG GLN 21.A O no hydrogen 3.486 N/A SER 19.A OG VAL 24.A O no hydrogen 3.465 N/A ALA 20.A N VAL 24.A O no hydrogen 3.212 N/A HIS 23.A ND1 ASP 58.A O no hydrogen 2.413 N/A LEU 25.A N ALA 61.A O no hydrogen 3.130 N/A HIS 26.A N THR 18.A O no hydrogen 2.799 N/A HIS 26.A NE2 SER 65.A OG no hydrogen 2.614 N/A VAL 27.A N VAL 63.A O no hydrogen 2.795 N/A GLN 28.A N ARG 16.A O no hydrogen 2.772 N/A LEU 29.A N SER 65.A O no hydrogen 2.793 N/A ASN 30.A N SER 14.A O no hydrogen 2.892 N/A ARG 31.A N ASN 36.A OD1 no hydrogen 2.780 N/A ARG 31.A NE ALA 37.A O no hydrogen 3.146 N/A ARG 31.A NH1 ALA 37.A O no hydrogen 2.894 N/A ARG 31.A NH1 ASP 76.A OD2 no hydrogen 2.772 N/A LYS 34.A N ARG 31.A O no hydrogen 2.838 N/A ARG 35.A N PRO 32.A O no hydrogen 3.117 N/A ASN 36.A N ARG 31.A O no hydrogen 2.847 N/A ASN 36.A ND2 ALA 67.A O no hydrogen 2.888 N/A ASN 36.A ND2 MET 70.A O no hydrogen 3.000 N/A ASN 36.A ND2 PHE 71.A O no hydrogen 2.979 N/A ALA 37.A N LYS 34.A O no hydrogen 3.098 N/A MET 38.A N GLY 74.A O no hydrogen 2.758 N/A LYS 40.A N ASP 79.A OD2 no hydrogen 3.431 N/A LYS 40.A NZ ASP 79.A O no hydrogen 3.180 N/A PHE 42.A N ASN 39.A O no hydrogen 2.906 N/A TRP 43.A NE1 MET 38.A O no hydrogen 3.215 N/A ARG 44.A N LYS 40.A O no hydrogen 3.463 N/A GLU 45.A N VAL 41.A O no hydrogen 2.810 N/A MET 46.A N PHE 42.A O no hydrogen 3.071 N/A GLU 48.A N ARG 44.A O no hydrogen 3.163 N/A CYS 49.A N GLU 45.A O no hydrogen 2.841 N/A PHE 50.A N MET 46.A O no hydrogen 2.971 N/A ASN 51.A N VAL 47.A O no hydrogen 3.086 N/A LYS 52.A N GLU 48.A O no hydrogen 3.225 N/A LYS 52.A NZ ASP 9.A O.A no hydrogen 2.900 N/A LYS 52.A NZ ASP 9.A O.B no hydrogen 2.973 N/A LYS 52.A NZ TYR 12.A OH no hydrogen 3.342 N/A LYS 52.A NZ GLU 48.A OE2 no hydrogen 3.116 N/A ILE 53.A N CYS 49.A O no hydrogen 2.919 N/A SER 54.A N PHE 50.A O no hydrogen 2.803 N/A SER 54.A OG.A PHE 50.A O no hydrogen 2.792 N/A ARG 55.A N ASN 51.A O no hydrogen 3.293 N/A ARG 55.A N LYS 52.A O no hydrogen 3.154 N/A ASP 56.A N ILE 53.A O no hydrogen 2.993 N/A ASP 58.A N ASP 56.A OD1 no hydrogen 3.122 N/A CYS 59.A N ASP 56.A O no hydrogen 3.222 N/A CYS 59.A SG HIS 23.A O no hydrogen 3.866 N/A CYS 59.A SG ALA 61.A O no hydrogen 3.453 N/A ARG 60.A N HIS 23.A O no hydrogen 2.756 N/A ARG 60.A NH1 SER 222.A O no hydrogen 2.795 N/A ALA 61.A N HIS 23.A O no hydrogen 3.436 N/A VAL 62.A N PRO 119.A O no hydrogen 2.972 N/A VAL 63.A N LEU 25.A O no hydrogen 2.938 N/A ILE 64.A N ILE 121.A O no hydrogen 2.781 N/A SER 65.A N VAL 27.A O no hydrogen 2.999 N/A SER 65.A OG HIS 26.A NE2 no hydrogen 2.614 N/A ALA 67.A N LEU 29.A O no hydrogen 2.774 N/A PHE 71.A N HIS 125.A O no hydrogen 2.799 N/A THR 72.A N GLY 127.A O no hydrogen 2.979 N/A THR 72.A OG1 ASN 36.A O no hydrogen 2.756 N/A ALA 73.A N ARG 35.A O no hydrogen 3.111 N/A GLY 74.A N THR 72.A OG1 no hydrogen 3.079 N/A ASP 76.A N MET 38.A O no hydrogen 3.066 N/A MET 80.A N ASP 76.A O no hydrogen 3.159 N/A ALA 81.A N LEU 77.A O no hydrogen 3.067 N/A SER 82.A N MET 78.A O no hydrogen 3.401 N/A ILE 84.A N MET 80.A O no hydrogen 3.193 N/A LEU 85.A N ALA 81.A O no hydrogen 2.515 N/A GLN 86.A N SER 82.A O no hydrogen 3.317 N/A ARG 94.A N ASP 91.A OD1 no hydrogen 3.042 N/A ARG 94.A NH1 ASP 91.A OD1 no hydrogen 3.516 N/A ILE 95.A N ASP 91.A O no hydrogen 2.983 N/A SER 96.A N VAL 92.A O no hydrogen 2.837 N/A SER 96.A OG VAL 92.A O no hydrogen 2.933 N/A TRP 97.A N ALA 93.A O no hydrogen 3.087 N/A TYR 98.A N ARG 94.A O no hydrogen 3.259 N/A LEU 99.A N ILE 95.A O no hydrogen 2.898 N/A ARG 100.A N SER 96.A O no hydrogen 2.843 N/A ASP 101.A N TRP 97.A O no hydrogen 3.308 N/A ILE 102.A N TYR 98.A O no hydrogen 3.248 N/A ILE 103.A N LEU 99.A O no hydrogen 2.887 N/A THR 104.A N ARG 100.A O no hydrogen 3.015 N/A THR 104.A OG1 ARG 100.A O no hydrogen 2.946 N/A ARG 105.A N ASP 101.A O no hydrogen 2.981 N/A ARG 105.A NE ASP 101.A OD2 no hydrogen 3.481 N/A TYR 106.A N ILE 102.A O no hydrogen 2.955 N/A TYR 106.A OH ASP 83.A OD2 no hydrogen 2.926 N/A GLN 107.A N ILE 103.A O no hydrogen 2.893 N/A GLN 107.A NE2 ASP 162.A O no hydrogen 2.800 N/A GLU 108.A N THR 104.A O no hydrogen 3.227 N/A GLU 108.A N ARG 105.A O no hydrogen 3.184 N/A THR 109.A N TYR 106.A O no hydrogen 3.237 N/A THR 109.A OG1 TRP 43.A O no hydrogen 2.957 N/A THR 109.A OG1 TYR 106.A O no hydrogen 3.382 N/A PHE 110.A N GLN 107.A O no hydrogen 3.195 N/A ASN 111.A N GLN 107.A O no hydrogen 2.946 N/A ASN 111.A ND2 GLU 108.A OE1 no hydrogen 3.252 N/A VAL 112.A N GLU 108.A O no hydrogen 3.123 N/A ILE 113.A N PHE 110.A O no hydrogen 3.101 N/A ARG 115.A N ASN 111.A O no hydrogen 2.886 N/A ARG 115.A NH1 GLU 108.A OE2 no hydrogen 2.247 N/A ARG 115.A NH2 GLU 108.A OE1 no hydrogen 2.755 N/A CYS 116.A N VAL 112.A O no hydrogen 3.077 N/A CYS 116.A SG LYS 118.A O no hydrogen 3.890 N/A LYS 118.A NZ ASP 56.A O no hydrogen 2.953 N/A LYS 118.A NZ CYS 59.A O no hydrogen 2.934 N/A VAL 120.A N ASP 140.A OD2.A no hydrogen 2.784 N/A ILE 121.A N VAL 62.A O no hydrogen 2.775 N/A ALA 122.A N ILE 141.A O no hydrogen 2.889 N/A ALA 123.A N ILE 64.A O no hydrogen 2.892 N/A VAL 124.A N TYR 143.A O no hydrogen 2.985 N/A HIS 125.A NE2 GLY 68.A O no hydrogen 2.740 N/A GLY 126.A N ASP 147.A OD1 no hydrogen 2.999 N/A CYS 128.A N PHE 149.A O no hydrogen 2.787 N/A ILE 129.A N THR 72.A O no hydrogen 3.101 N/A GLY 130.A N GLN 151.A O no hydrogen 2.803 N/A GLY 132.A N ILE 129.A O no hydrogen 3.061 N/A VAL 133.A N GLY 130.A O no hydrogen 2.956 N/A ASP 134.A N GLY 130.A O no hydrogen 3.392 N/A LEU 135.A N GLY 131.A O no hydrogen 2.932 N/A VAL 136.A N GLY 132.A O no hydrogen 2.991 N/A THR 137.A N VAL 133.A O no hydrogen 3.016 N/A THR 137.A OG1 VAL 133.A O no hydrogen 2.790 N/A THR 137.A OG1 ASP 134.A O no hydrogen 3.440 N/A ALA 138.A N LEU 135.A O no hydrogen 3.045 N/A CYS 139.A N VAL 136.A O no hydrogen 3.107 N/A CYS 139.A SG LEU 135.A O no hydrogen 3.638 N/A ASP 140.A N VAL 120.A O no hydrogen 2.879 N/A ILE 141.A N VAL 120.A O no hydrogen 3.253 N/A ARG 142.A NE LEU 199.A O no hydrogen 2.848 N/A ARG 142.A NH1 VAL 136.A O no hydrogen 2.843 N/A ARG 142.A NH1 CYS 139.A O no hydrogen 2.859 N/A TYR 143.A N ALA 122.A O no hydrogen 2.846 N/A CYS 144.A N ARG 202.A O no hydrogen 3.149 N/A CYS 144.A SG ALA 145.A O no hydrogen 3.550 N/A ALA 145.A N VAL 124.A O no hydrogen 2.869 N/A GLN 146.A N PHE 204.A O no hydrogen 2.731 N/A GLN 146.A NE2 ASP 192.A OD2 no hydrogen 3.089 N/A ALA 148.A N ALA 145.A O no hydrogen 3.016 N/A PHE 149.A N GLY 126.A O no hydrogen 3.115 N/A PHE 150.A N MET 189.A O no hydrogen 2.964 N/A GLN 151.A N CYS 128.A O no hydrogen 3.118 N/A GLN 151.A NE2 ALA 186.A O no hydrogen 2.769 N/A LYS 153.A NZ ASP 156.A OD2 no hydrogen 3.085 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.916 N/A ASP 156.A N LYS 153.A O no hydrogen 2.858 N/A VAL 157.A N GLU 154.A O no hydrogen 2.866 N/A GLY 158.A N GLU 154.A O no hydrogen 3.097 N/A GLY 158.A N VAL 155.A O no hydrogen 3.299 N/A LEU 159.A N GLU 154.A O no hydrogen 3.384 N/A THR 165.A N ASP 134.A OD1 no hydrogen 2.742 N/A GLN 167.A N GLY 164.A O no hydrogen 2.985 N/A ARG 168.A N GLY 164.A O no hydrogen 2.933 N/A ARG 168.A NE GLU 114.A OE2.A no hydrogen 2.747 N/A ARG 168.A NH2 ASN 111.A OD1 no hydrogen 2.918 N/A ARG 168.A NH2 GLU 114.A OE2.A no hydrogen 3.529 N/A LEU 169.A N THR 165.A O no hydrogen 2.864 N/A LYS 171.A N ARG 168.A O no hydrogen 2.906 N/A VAL 172.A N LEU 169.A O no hydrogen 3.093 N/A GLN 176.A NE2 PRO 170.A O no hydrogen 2.956 N/A GLN 176.A NE2 GLY 174.A O no hydrogen 3.397 N/A LEU 178.A N ASN 175.A OD1 no hydrogen 2.884 N/A VAL 179.A N ASN 175.A O no hydrogen 3.083 N/A ASN 180.A N GLN 176.A O no hydrogen 2.893 N/A GLU 181.A N SER 177.A O no hydrogen 2.986 N/A LEU 182.A N LEU 178.A O no hydrogen 2.894 N/A ALA 183.A N VAL 179.A O no hydrogen 2.988 N/A PHE 184.A N ASN 180.A O no hydrogen 2.899 N/A THR 185.A N GLU 181.A O no hydrogen 3.058 N/A THR 185.A OG1 GLU 181.A O no hydrogen 2.660 N/A ALA 186.A N LEU 182.A O no hydrogen 3.001 N/A ARG 187.A N THR 185.A OG1 no hydrogen 3.328 N/A ARG 187.A NE GLU 181.A OE2 no hydrogen 2.749 N/A ARG 187.A NH1 LYS 188.A O no hydrogen 3.438 N/A ARG 187.A NH1 GLU 193.A OE1 no hydrogen 2.813 N/A ARG 187.A NH2 GLU 181.A OE2 no hydrogen 2.887 N/A ARG 187.A NH2 GLU 193.A OE1 no hydrogen 3.337 N/A ARG 187.A NH2 GLU 193.A OE2 no hydrogen 2.822 N/A MET 189.A N PHE 150.A O no hydrogen 2.797 N/A ALA 194.A N MET 190.A O no hydrogen 2.960 N/A LEU 195.A N ALA 191.A O no hydrogen 3.011 N/A GLY 196.A N ASP 192.A O no hydrogen 3.103 N/A SER 197.A N GLU 193.A O no hydrogen 2.871 N/A SER 197.A OG GLU 193.A O no hydrogen 3.100 N/A SER 197.A OG ALA 194.A O no hydrogen 3.076 N/A GLY 198.A N LEU 195.A O no hydrogen 3.077 N/A LEU 199.A N ALA 194.A O no hydrogen 2.905 N/A LEU 199.A N SER 197.A OG no hydrogen 3.377 N/A VAL 200.A N ALA 194.A O no hydrogen 3.237 N/A SER 201.A N ARG 142.A O no hydrogen 2.799 N/A PHE 204.A N CYS 144.A O no hydrogen 2.990 N/A LYS 207.A NZ GLY 66.A O no hydrogen 3.441 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.764 N/A VAL 209.A N ASP 206.A OD1 no hydrogen 2.814 N/A MET 210.A N ASP 206.A O no hydrogen 2.851 N/A LEU 211.A N LYS 207.A O no hydrogen 2.852 N/A ASP 212.A N GLU 208.A O no hydrogen 2.995 N/A ALA 213.A N VAL 209.A O no hydrogen 3.093 N/A ALA 214.A N MET 210.A O no hydrogen 2.907 N/A LEU 215.A N LEU 211.A O no hydrogen 3.050 N/A ALA 216.A N ASP 212.A O no hydrogen 3.005 N/A LEU 217.A N ALA 213.A O no hydrogen 2.901 N/A ALA 218.A N ALA 214.A O no hydrogen 2.925 N/A ALA 219.A N LEU 215.A O no hydrogen 2.854 N/A GLU 220.A N ALA 216.A O no hydrogen 2.940 N/A ILE 221.A N LEU 217.A O no hydrogen 2.922 N/A SER 222.A N ALA 218.A O no hydrogen 2.910 N/A SER 222.A OG ALA 218.A O no hydrogen 2.847 N/A SER 223.A N GLU 220.A O no hydrogen 3.208 N/A SER 223.A OG GLU 220.A O no hydrogen 2.624 N/A LYS 224.A N ILE 221.A O no hydrogen 3.185 N/A LYS 224.A NZ GLU 220.A OE2 no hydrogen 2.973 N/A SER 225.A OG ASP 263.A OD2 no hydrogen 2.540 N/A ALA 228.A N SER 225.A OG no hydrogen 3.252 N/A VAL 229.A N SER 225.A O no hydrogen 2.995 N/A GLN 230.A N PRO 226.A O no hydrogen 2.905 N/A SER 231.A N VAL 227.A O no hydrogen 2.867 N/A SER 231.A OG VAL 227.A O no hydrogen 2.788 N/A THR 232.A N ALA 228.A O no hydrogen 2.955 N/A THR 232.A OG1 ALA 228.A O no hydrogen 2.634 N/A LYS 233.A N VAL 229.A O no hydrogen 3.034 N/A LYS 233.A NZ ILE 113.A O no hydrogen 3.043 N/A LYS 233.A NZ CYS 116.A O no hydrogen 2.787 N/A LYS 233.A NZ LYS 118.A O no hydrogen 2.931 N/A LYS 233.A NZ ASP 140.A OD2.A no hydrogen 2.692 N/A VAL 234.A N GLN 230.A O no hydrogen 3.038 N/A ASN 235.A N SER 231.A O no hydrogen 3.068 N/A ASN 235.A ND2 SER 231.A O no hydrogen 2.866 N/A LEU 236.A N THR 232.A O no hydrogen 2.848 N/A LEU 237.A N LYS 233.A O no hydrogen 2.921 N/A TYR 238.A N VAL 234.A O no hydrogen 3.019 N/A SER 239.A N ASN 235.A O no hydrogen 2.916 N/A SER 239.A OG ASN 235.A O no hydrogen 2.915 N/A ARG 240.A N LEU 236.A O no hydrogen 3.111 N/A ARG 240.A NE ASP 241.A OD1 no hydrogen 3.119 N/A ARG 240.A NH1 GLU 114.A OE2.A no hydrogen 3.011 N/A ARG 240.A NH2 GLU 114.A OE1.A no hydrogen 2.821 N/A ARG 240.A NH2 ASP 241.A OD2 no hydrogen 2.939 N/A ASP 241.A N TYR 238.A O no hydrogen 3.142 N/A HIS 242.A N SER 239.A O no hydrogen 3.452 N/A HIS 242.A ND1 TYR 238.A O no hydrogen 2.718 N/A GLU 246.A N SER 243.A OG no hydrogen 3.115 N/A SER 247.A N SER 243.A O no hydrogen 2.963 N/A SER 247.A OG SER 243.A O no hydrogen 2.781 N/A LEU 248.A N VAL 244.A O no hydrogen 2.839 N/A ASN 249.A N ALA 245.A O no hydrogen 3.055 N/A TYR 250.A N GLU 246.A O no hydrogen 2.865 N/A VAL 251.A N SER 247.A O no hydrogen 2.984 N/A ALA 252.A N LEU 248.A O no hydrogen 3.201 N/A SER 253.A N ASN 249.A O no hydrogen 3.076 N/A SER 253.A OG ASN 249.A O no hydrogen 3.526 N/A TRP 254.A N TYR 250.A O no hydrogen 2.804 N/A TRP 254.A NE1 SER 231.A OG no hydrogen 2.874 N/A ASN 255.A N VAL 251.A O no hydrogen 2.841 N/A MET 256.A N ALA 252.A O no hydrogen 3.152 N/A SER 257.A OG TRP 254.A O no hydrogen 3.113 N/A MET 258.A N TRP 254.A O no hydrogen 3.354 N/A LEU 259.A N ASN 255.A O no hydrogen 2.864 N/A GLN 260.A N SER 257.A O no hydrogen 3.070 N/A GLN 260.A NE2 MET 256.A O no hydrogen 2.946 N/A GLN 262.A N GLN 262.A OE1 no hydrogen 2.607 N/A ASP 263.A N THR 261.A OG1 no hydrogen 3.188 N/A LEU 264.A N THR 261.A O no hydrogen 3.138 N/A VAL 265.A N THR 261.A O no hydrogen 3.493 N/A LYS 266.A N GLN 262.A O no hydrogen 2.795 N/A SER 267.A N ASP 263.A O no hydrogen 3.173 N/A SER 267.A OG ASP 263.A O no hydrogen 2.759 N/A VAL 268.A N LEU 264.A O no hydrogen 2.855 N/A GLN 269.A N VAL 265.A O no hydrogen 2.867 N/A ALA 270.A N LYS 266.A O no hydrogen 2.994 N/A THR 271.A N SER 267.A O no hydrogen 3.295 N/A