Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xr2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLY 36.A O no hydrogen 2.335 N/A THR 4.A N VAL 13.A O no hydrogen 2.857 N/A THR 4.A OG1 GLN 5.A O no hydrogen 3.190 N/A LEU 6.A N LEU 11.A O no hydrogen 2.657 N/A ARG 8.A N GLY 187.A O no hydrogen 3.137 N/A ARG 8.A NH1 LEU 161.A O no hydrogen 2.955 N/A ARG 8.A NH2 LEU 161.A O no hydrogen 2.848 N/A ARG 8.A NH2 GLY 187.A O no hydrogen 2.833 N/A ILE 9.A N LEU 6.A O no hydrogen 2.997 N/A VAL 13.A N THR 4.A O no hydrogen 2.841 N/A SER 14.A N ASN 38.A OD1 no hydrogen 2.896 N/A SER 14.A OG LEU 16.A O no hydrogen 2.998 N/A SER 14.A OG ASN 38.A OD1 no hydrogen 3.266 N/A ARG 15.A N GLU 2.A O no hydrogen 3.132 N/A ARG 15.A NE THR 247.A O no hydrogen 2.714 N/A ARG 15.A NH1 GLU 2.A OE1 no hydrogen 3.321 N/A ARG 15.A NH1 LEU 241.A O no hydrogen 3.544 N/A ARG 15.A NH2 LEU 241.A O no hydrogen 3.014 N/A ARG 15.A NH2 VAL 246.A O no hydrogen 2.921 N/A VAL 17.A N PRO 249.A O no hydrogen 3.046 N/A LEU 18.A N PHE 39.A O no hydrogen 2.912 N/A GLY 19.A N VAL 251.A O no hydrogen 2.716 N/A THR 20.A OG1 ALA 43.A O no hydrogen 3.259 N/A SER 25.A N GLU 22.A O no hydrogen 3.372 N/A SER 25.A OG GLU 22.A O no hydrogen 2.784 N/A HIS 26.A ND1 GLN 57.A OE1 no hydrogen 2.562 N/A HIS 26.A NE2 ILE 50.A O no hydrogen 3.007 N/A HIS 26.A NE2 SER 53.A OG no hydrogen 2.499 N/A MET 29.A N SER 25.A O no hydrogen 2.948 N/A ASP 30.A N HIS 26.A O no hydrogen 3.161 N/A ALA 31.A N ALA 27.A O no hydrogen 3.159 N/A ALA 32.A N ILE 28.A O no hydrogen 2.933 N/A LEU 33.A N MET 29.A O no hydrogen 2.945 N/A ASP 34.A N ASP 30.A O no hydrogen 2.891 N/A ALA 35.A N ALA 31.A O no hydrogen 2.632 N/A GLY 36.A N LEU 33.A O no hydrogen 2.715 N/A ILE 37.A N ALA 32.A O no hydrogen 2.862 N/A ASN 38.A ND2 LYS 12.A O no hydrogen 3.226 N/A PHE 40.A N VAL 66.A O no hydrogen 2.982 N/A ASP 41.A N LEU 18.A O no hydrogen 2.908 N/A THR 42.A N ALA 68.A O no hydrogen 3.034 N/A THR 42.A OG1 THR 69.A OG1 no hydrogen 2.732 N/A LYS 44.A NZ VAL 71.A O no hydrogen 3.239 N/A ARG 46.A NH1 GLU 22.A OE2 no hydrogen 3.239 N/A GLU 49.A N GLY 45.A O no hydrogen 2.947 N/A ILE 50.A N ARG 46.A O no hydrogen 2.739 N/A LEU 51.A N THR 47.A O no hydrogen 2.899 N/A GLY 52.A N GLU 48.A O no hydrogen 2.841 N/A SER 53.A N GLU 49.A O no hydrogen 2.773 N/A SER 53.A OG HIS 26.A NE2 no hydrogen 2.499 N/A SER 53.A OG GLU 49.A O no hydrogen 3.566 N/A SER 53.A OG ILE 50.A O no hydrogen 2.727 N/A TRP 54.A N ILE 50.A O no hydrogen 3.147 N/A TRP 54.A N LEU 51.A O no hydrogen 3.049 N/A TRP 54.A NE1 ASP 30.A OD1 no hydrogen 2.753 N/A PHE 55.A N LEU 51.A O no hydrogen 3.198 N/A ALA 56.A N GLY 52.A O no hydrogen 3.478 N/A GLN 57.A N TRP 54.A O no hydrogen 3.043 N/A ARG 61.A NE ASP 30.A OD1 no hydrogen 2.991 N/A ARG 61.A NH1 ASP 30.A OD1 no hydrogen 3.488 N/A ARG 61.A NH1 ASP 30.A OD2 no hydrogen 2.923 N/A ARG 61.A NH2 GLY 58.A O no hydrogen 2.491 N/A ARG 62.A NE THR 100.A OG1 no hydrogen 2.939 N/A ARG 62.A NH1 HIS 102.A O no hydrogen 2.844 N/A ARG 62.A NH1 ASP 104.A OD1 no hydrogen 3.125 N/A ARG 62.A NH1 ASP 104.A OD2 no hydrogen 3.075 N/A ARG 62.A NH2 ARG 62.A O no hydrogen 2.935 N/A ARG 62.A NH2 ASP 104.A OD2 no hydrogen 2.627 N/A LYS 64.A N ASP 60.A O no hydrogen 3.111 N/A VAL 66.A N ASN 38.A O no hydrogen 2.695 N/A LEU 67.A N ASP 104.A OD2 no hydrogen 2.698 N/A ALA 68.A N PHE 40.A O no hydrogen 2.900 N/A THR 69.A N LEU 105.A O no hydrogen 3.085 N/A THR 69.A OG1 THR 42.A OG1 no hydrogen 2.732 N/A THR 69.A OG1 GLU 48.A OE1 no hydrogen 2.722 N/A LYS 70.A N THR 69.A OG1 no hydrogen 2.688 N/A LYS 70.A NZ GLN 165.A OE1 no hydrogen 3.223 N/A VAL 71.A N GLN 107.A O no hydrogen 3.102 N/A HIS 79.A N TRP 76.A O no hydrogen 3.238 N/A LYS 81.A NZ ASP 80.A OD2 no hydrogen 3.496 N/A LEU 82.A N ASP 112.A OD2 no hydrogen 3.144 N/A ALA 84.A N GLU 119.A OE2 no hydrogen 2.858 N/A ASN 86.A N SER 83.A OG no hydrogen 3.144 N/A ASN 86.A ND2 LYS 81.A O no hydrogen 2.894 N/A ILE 87.A N SER 83.A O no hydrogen 2.942 N/A ARG 88.A N ALA 84.A O no hydrogen 3.022 N/A ARG 89.A N LEU 85.A O no hydrogen 3.436 N/A ARG 89.A NH2 ASN 86.A OD1 no hydrogen 2.595 N/A SER 90.A N ASN 86.A O no hydrogen 2.698 N/A SER 90.A OG ASN 86.A O no hydrogen 3.220 N/A SER 90.A OG ASN 86.A OD1 no hydrogen 3.387 N/A VAL 91.A N ILE 87.A O no hydrogen 2.911 N/A ASP 92.A N ARG 88.A O no hydrogen 3.235 N/A ALA 93.A N ARG 89.A O no hydrogen 2.905 N/A SER 94.A N SER 90.A O no hydrogen 2.906 N/A SER 94.A OG GLU 48.A OE1 no hydrogen 2.838 N/A SER 94.A OG GLU 48.A OE2 no hydrogen 3.299 N/A SER 94.A OG SER 90.A O no hydrogen 3.415 N/A LEU 95.A N VAL 91.A O no hydrogen 2.808 N/A LYS 96.A N ASP 92.A O no hydrogen 3.375 N/A ARG 97.A N ALA 93.A O no hydrogen 3.275 N/A ARG 97.A NE GLU 48.A OE2 no hydrogen 3.417 N/A ARG 97.A NE TYR 72.A OH no hydrogen 2.793 N/A ARG 97.A NH1 TYR 72.A OH no hydrogen 2.617 N/A LEU 98.A N SER 94.A O no hydrogen 2.994 N/A GLY 99.A N LEU 95.A O no hydrogen 3.197 N/A GLY 99.A N LYS 96.A O no hydrogen 3.167 N/A THR 100.A OG1 HIS 102.A O no hydrogen 3.506 N/A HIS 102.A ND1 ASP 101.A OD1 no hydrogen 2.880 N/A ILE 103.A N LYS 132.A O no hydrogen 2.893 N/A LEU 105.A N LEU 67.A O no hydrogen 2.800 N/A TYR 106.A N TYR 135.A O no hydrogen 2.825 N/A GLN 107.A N THR 69.A O no hydrogen 2.869 N/A GLN 107.A NE2 ASP 41.A OD1 no hydrogen 3.294 N/A GLN 107.A NE2 THR 69.A O no hydrogen 3.466 N/A PHE 108.A N GLY 137.A O no hydrogen 3.125 N/A HIS 110.A ND1 VAL 111.A O no hydrogen 2.966 N/A VAL 111.A N ASN 140.A O no hydrogen 3.368 N/A ASP 114.A N ASP 112.A OD1 no hydrogen 3.338 N/A THR 115.A N ASP 112.A O no hydrogen 3.194 N/A THR 115.A OG1 ASP 112.A OD2 no hydrogen 2.616 N/A GLU 119.A N PRO 116.A O no hydrogen 2.915 N/A ILE 120.A N PRO 116.A O no hydrogen 3.145 N/A TRP 121.A N TRP 117.A O no hydrogen 2.987 N/A TRP 121.A NE1 ALA 149.A O no hydrogen 2.908 N/A GLN 122.A N ASP 118.A O no hydrogen 3.327 N/A ALA 123.A N GLU 119.A O no hydrogen 3.302 N/A MET 124.A N ILE 120.A O no hydrogen 3.046 N/A ASP 125.A N TRP 121.A O no hydrogen 2.913 N/A VAL 126.A N GLN 122.A O no hydrogen 3.075 N/A VAL 128.A N MET 124.A O no hydrogen 2.834 N/A ARG 129.A N ASP 125.A O no hydrogen 3.062 N/A GLN 130.A N VAL 126.A O no hydrogen 3.106 N/A GLY 131.A N VAL 128.A O no hydrogen 3.116 N/A LYS 132.A N LEU 127.A O no hydrogen 2.805 N/A ILE 133.A N LEU 127.A O no hydrogen 3.191 N/A LEU 134.A N ILE 103.A O no hydrogen 3.268 N/A TYR 135.A N ASP 104.A O no hydrogen 2.906 N/A GLY 137.A N TYR 106.A O no hydrogen 3.069 N/A SER 138.A N SER 163.A O no hydrogen 2.684 N/A SER 138.A OG SER 163.A O no hydrogen 2.848 N/A SER 138.A OG GLU 164.A OE1 no hydrogen 2.912 N/A SER 139.A OG PHE 108.A O no hydrogen 3.147 N/A SER 139.A OG SER 138.A O no hydrogen 2.988 N/A ASN 140.A N GLN 165.A O no hydrogen 2.962 N/A ASN 140.A ND2 HIS 109.A O no hydrogen 3.006 N/A PHE 141.A N GLU 164.A OE2 no hydrogen 2.940 N/A ALA 142.A N ASN 145.A OD1 no hydrogen 2.871 N/A ASN 145.A N ALA 142.A O no hydrogen 3.097 N/A ILE 146.A N ALA 142.A O no hydrogen 3.430 N/A ILE 146.A N GLY 143.A O no hydrogen 3.141 N/A ALA 147.A N GLY 143.A O no hydrogen 3.320 N/A GLN 148.A N TRP 144.A O no hydrogen 3.132 N/A ALA 149.A N ASN 145.A O no hydrogen 3.019 N/A ASN 150.A N ILE 146.A O no hydrogen 2.877 N/A ASN 150.A ND2 LEU 161.A O no hydrogen 3.091 N/A GLU 151.A N ALA 147.A O no hydrogen 2.857 N/A THR 152.A N GLN 148.A O no hydrogen 2.994 N/A THR 152.A OG1 GLN 148.A O no hydrogen 2.366 N/A ALA 153.A N ALA 149.A O no hydrogen 3.067 N/A ALA 154.A N ASN 150.A O no hydrogen 3.053 N/A ARG 155.A N GLU 151.A O no hydrogen 3.213 N/A HIS 156.A N ALA 153.A O no hydrogen 3.231 N/A GLY 157.A N ALA 154.A O no hydrogen 3.077 N/A LEU 161.A N ASN 150.A OD1 no hydrogen 2.611 N/A VAL 162.A N VAL 136.A O no hydrogen 2.829 N/A GLU 164.A N GLY 189.A O no hydrogen 2.760 N/A GLN 165.A N SER 138.A O no hydrogen 2.936 N/A CYS 166.A N ILE 191.A O no hydrogen 2.966 N/A TYR 168.A OH GLU 176.A OE2 no hydrogen 2.331 N/A ASN 169.A N GLU 172.A O no hydrogen 2.976 N/A ASN 169.A ND2 SER 194.A O no hydrogen 3.050 N/A ASN 169.A ND2 HIS 197.A ND1 no hydrogen 3.141 N/A GLU 172.A N ASN 169.A OD1 no hydrogen 2.843 N/A ARG 173.A NE GLU 176.A OE2 no hydrogen 3.278 N/A ARG 173.A NH1 PHE 282.A O no hydrogen 2.529 N/A ARG 173.A NH2 GLU 176.A OE1 no hydrogen 3.334 N/A ARG 173.A NH2 GLU 176.A OE2 no hydrogen 3.351 N/A ARG 174.A N GLU 172.A OE2 no hydrogen 3.348 N/A ARG 174.A NE GLU 172.A OE2 no hydrogen 2.914 N/A ARG 174.A NH1 GLU 172.A OE1 no hydrogen 2.802 N/A ARG 174.A NH1 GLU 172.A OE2 no hydrogen 3.443 N/A GLU 176.A N ARG 173.A O no hydrogen 2.899 N/A MET 177.A N ARG 174.A O no hydrogen 3.362 N/A VAL 180.A N ALA 175.A O no hydrogen 2.979 N/A ALA 182.A N GLU 178.A O no hydrogen 2.915 N/A ALA 183.A N VAL 179.A O no hydrogen 2.860 N/A ARG 184.A N VAL 180.A O no hydrogen 2.799 N/A GLU 185.A N PRO 181.A O no hydrogen 2.823 N/A TYR 186.A N ALA 182.A O no hydrogen 3.050 N/A TYR 186.A OH GLU 151.A OE1 no hydrogen 2.755 N/A GLY 187.A N ARG 184.A O no hydrogen 3.429 N/A LEU 188.A N ALA 183.A O no hydrogen 2.859 N/A GLY 189.A N VAL 162.A O no hydrogen 3.089 N/A VAL 190.A N GLY 245.A O no hydrogen 3.306 N/A ILE 191.A N GLU 164.A O no hydrogen 2.864 N/A ALA 192.A N GLY 248.A O no hydrogen 3.258 N/A TRP 193.A N CYS 166.A O no hydrogen 2.662 N/A HIS 197.A N SER 194.A O no hydrogen 3.213 N/A GLY 198.A N SER 194.A OG no hydrogen 2.944 N/A LEU 200.A N HIS 197.A O no hydrogen 3.001 N/A LEU 201.A N LEU 196.A O no hydrogen 2.824 N/A GLY 202.A N GLY 199.A O no hydrogen 2.958 N/A ILE 205.A N GLU 222.A OE2 no hydrogen 2.900 N/A ARG 206.A NH1 ASP 226.A OD1 no hydrogen 2.645 N/A ARG 206.A NH1 ASP 226.A OD2 no hydrogen 2.905 N/A ARG 206.A NH2 ASP 226.A OD2 no hydrogen 3.197 N/A LYS 207.A N GLY 203.A O no hydrogen 3.402 N/A GLU 208.A N ILE 205.A O no hydrogen 3.337 N/A GLN 209.A N ARG 206.A O no hydrogen 2.634 N/A GLN 213.A N ASP 211.A OD1 no hydrogen 2.683 N/A GLN 214.A N ASP 211.A OD1 no hydrogen 2.941 N/A GLN 217.A N GLN 213.A O no hydrogen 3.336 N/A GLN 217.A NE2 ILE 281.A O no hydrogen 2.772 N/A ILE 218.A N GLN 214.A O no hydrogen 3.301 N/A GLN 219.A N ARG 215.A O no hydrogen 2.803 N/A ARG 220.A N GLU 216.A O no hydrogen 2.855 N/A TYR 221.A N GLN 217.A O no hydrogen 3.002 N/A TYR 221.A OH LEU 201.A O no hydrogen 3.366 N/A TYR 221.A OH PRO 232.A O no hydrogen 2.563 N/A GLU 222.A N ILE 218.A O no hydrogen 2.893 N/A ASP 223.A N GLN 219.A O no hydrogen 2.874 N/A LEU 224.A N ARG 220.A O no hydrogen 2.965 N/A LEU 225.A N TYR 221.A O no hydrogen 2.978 N/A ASP 226.A N GLU 222.A O no hydrogen 2.616 N/A LYS 227.A N ASP 223.A O no hydrogen 3.264 N/A LYS 227.A NZ ASP 223.A O no hydrogen 3.172 N/A HIS 228.A N LEU 224.A O no hydrogen 3.291 N/A HIS 228.A ND1 LEU 224.A O no hydrogen 3.248 N/A HIS 228.A NE2 GLU 273.A OE2 no hydrogen 3.136 N/A GLY 229.A N ASP 226.A O no hydrogen 3.254 N/A LEU 230.A N LEU 225.A O no hydrogen 2.966 N/A VAL 235.A N GLU 231.A O no hydrogen 3.174 N/A ALA 236.A N PRO 232.A O no hydrogen 3.228 N/A LEU 237.A N GLY 233.A O no hydrogen 3.425 N/A ALA 238.A N GLU 234.A O no hydrogen 2.797 N/A TRP 239.A N VAL 235.A O no hydrogen 2.548 N/A LEU 241.A N LEU 237.A O no hydrogen 3.222 N/A THR 242.A OG1 TRP 239.A O no hydrogen 2.740 N/A ARG 243.A N LEU 240.A O no hydrogen 3.084 N/A ARG 243.A NE TYR 168.A OH no hydrogen 3.425 N/A ARG 243.A NH2 GLU 176.A OE2 no hydrogen 3.413 N/A VAL 246.A N ARG 243.A O no hydrogen 3.105 N/A THR 247.A N VAL 190.A O no hydrogen 2.792 N/A ILE 250.A N ALA 192.A O no hydrogen 3.098 N/A VAL 251.A N VAL 17.A O no hydrogen 2.756 N/A ARG 254.A N GLN 258.A OE1 no hydrogen 3.081 N/A GLN 258.A N THR 255.A OG1 no hydrogen 2.789 N/A ALA 260.A N ALA 256.A O no hydrogen 3.016 N/A SER 261.A N ASP 257.A O no hydrogen 2.304 N/A ALA 262.A N GLN 258.A O no hydrogen 2.742 N/A VAL 263.A N LEU 259.A O no hydrogen 2.955 N/A ARG 264.A N ALA 260.A O no hydrogen 2.933 N/A ARG 264.A NE GLU 234.A OE1 no hydrogen 3.084 N/A ARG 264.A NH1 GLU 234.A OE1 no hydrogen 3.242 N/A ALA 265.A N SER 261.A O no hydrogen 3.148 N/A ALA 266.A N ALA 262.A O no hydrogen 3.145 N/A GLU 267.A N VAL 263.A O no hydrogen 3.242 N/A GLU 267.A N ARG 264.A O no hydrogen 2.982 N/A LEU 268.A N ARG 264.A O no hydrogen 2.774 N/A VAL 274.A N THR 271.A OG1 no hydrogen 3.430 N/A LEU 275.A N THR 271.A O no hydrogen 3.349 N/A THR 276.A N ASP 272.A O no hydrogen 3.093 N/A THR 276.A OG1 ASP 272.A O no hydrogen 2.609 N/A THR 276.A OG1 GLU 273.A O no hydrogen 3.531 N/A ALA 277.A N GLU 273.A O no hydrogen 3.124 N/A LEU 278.A N VAL 274.A O no hydrogen 2.869 N/A ASP 279.A N LEU 275.A O no hydrogen 3.014 N/A GLU 280.A N THR 276.A O no hydrogen 3.212 N/A GLU 280.A N ALA 277.A O no hydrogen 3.118 N/A ILE 281.A N ALA 277.A O no hydrogen 3.163 N/A PHE 282.A N LEU 278.A O no hydrogen 2.835 N/A SER 288.A N MET 177.A O no hydrogen 3.212 N/A GLU 290.A N GLU 290.A OE1 no hydrogen 2.747 N/A ALA 291.A N PRO 287.A O no hydrogen 3.010 N/A PHE 292.A N PRO 289.A O no hydrogen 3.114 N/A ALA 293.A N PRO 289.A O no hydrogen 2.930 N/A