Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ca1_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N GLN 26.A O no hydrogen 2.903 N/A TYR 2.A OH PRO 323.A O no hydrogen 2.464 N/A THR 3.A N ASN 38.A OD1 no hydrogen 3.102 N/A THR 3.A OG1 ARG 36.A O no hydrogen 3.184 N/A THR 3.A OG1 ASN 38.A OD1 no hydrogen 2.972 N/A PHE 4.A N LYS 28.A O no hydrogen 3.147 N/A VAL 5.A N LEU 39.A O no hydrogen 3.123 N/A ARG 7.A N LEU 41.A O no hydrogen 2.933 N/A ARG 7.A NE GLU 43.A OE1 no hydrogen 3.003 N/A ARG 7.A NE GLU 43.A OE2 no hydrogen 2.981 N/A ARG 7.A NH1 LYS 32.A O no hydrogen 3.216 N/A ARG 7.A NH2 GLU 43.A OE1 no hydrogen 2.825 N/A TYR 14.A N SER 11.A OG no hydrogen 3.047 N/A ALA 15.A N SER 11.A O no hydrogen 3.130 N/A VAL 17.A N VAL 13.A O no hydrogen 3.092 N/A SER 18.A N TYR 14.A O no hydrogen 2.856 N/A SER 18.A OG TYR 14.A O no hydrogen 3.107 N/A SER 18.A OG ALA 15.A O no hydrogen 2.869 N/A ARG 19.A N ALA 15.A O no hydrogen 3.340 N/A LEU 20.A N GLU 16.A O no hydrogen 3.148 N/A LEU 21.A N VAL 17.A O no hydrogen 2.989 N/A LEU 22.A N SER 18.A O no hydrogen 3.057 N/A ALA 23.A N ARG 19.A O no hydrogen 3.052 N/A THR 24.A N LEU 21.A O no hydrogen 3.178 N/A THR 24.A OG1 LEU 21.A O no hydrogen 2.264 N/A GLY 25.A N LEU 22.A O no hydrogen 2.968 N/A LYS 28.A N TYR 2.A O no hydrogen 2.801 N/A LYS 28.A NZ ARG 29.A O no hydrogen 3.569 N/A ARG 29.A NH2 GLU 9.A OE2 no hydrogen 3.316 N/A LEU 30.A N PHE 4.A O no hydrogen 2.844 N/A ASN 34.A N ARG 31.A O no hydrogen 3.050 N/A ARG 36.A N ASN 34.A OD1 no hydrogen 3.081 N/A ASN 38.A N THR 3.A O no hydrogen 2.817 N/A ASN 38.A ND2 VAL 59.A O no hydrogen 3.307 N/A LEU 39.A N THR 3.A O no hydrogen 3.052 N/A MET 40.A N LEU 61.A O no hydrogen 2.694 N/A LEU 41.A N VAL 5.A O no hydrogen 3.190 N/A GLY 42.A N ASN 63.A OD1 no hydrogen 2.839 N/A GLU 43.A N GLU 43.A OE2 no hydrogen 2.441 N/A PHE 49.A N LEU 47.A O no hydrogen 2.890 N/A ARG 51.A N PRO 48.A O no hydrogen 3.181 N/A LEU 52.A N PHE 49.A O no hydrogen 3.075 N/A GLY 53.A N GLN 60.A OE1 no hydrogen 2.564 N/A LEU 58.A N GLU 55.A O no hydrogen 3.129 N/A GLN 60.A NE2 PRO 35.A O no hydrogen 3.193 N/A GLN 60.A NE2 PHE 37.A O no hydrogen 3.215 N/A LEU 61.A N ASN 38.A O no hydrogen 2.787 N/A VAL 62.A N GLN 273.A O no hydrogen 2.992 N/A ASN 63.A N MET 40.A O no hydrogen 3.091 N/A TYR 65.A N GLN 276.A OE1 no hydrogen 2.703 N/A TYR 65.A OH ASP 175.A O no hydrogen 2.697 N/A ALA 68.A N TYR 65.A O no hydrogen 3.193 N/A LYS 70.A N GLY 67.A O no hydrogen 3.372 N/A LEU 71.A N ALA 68.A O no hydrogen 3.185 N/A CYS 72.A N ASP 69.A O no hydrogen 3.021 N/A CYS 72.A SG ALA 68.A O no hydrogen 3.449 N/A ARG 73.A NH1 CYS 72.A O no hydrogen 3.414 N/A LYS 74.A NZ GLU 294.A OE1 no hydrogen 2.763 N/A LEU 77.A N ARG 73.A O no hydrogen 2.711 N/A VAL 78.A N LYS 74.A O no hydrogen 3.352 N/A LYS 79.A N ALA 75.A O no hydrogen 3.398 N/A LEU 80.A N SER 76.A O no hydrogen 2.567 N/A ILE 81.A N LEU 77.A O no hydrogen 2.782 N/A LYS 82.A N VAL 78.A O no hydrogen 2.741 N/A LYS 82.A NZ SER 97.A O no hydrogen 2.917 N/A LYS 82.A NZ GLU 105.A OE1 no hydrogen 3.092 N/A LYS 82.A NZ GLU 105.A OE2 no hydrogen 2.656 N/A THR 83.A N LYS 79.A O no hydrogen 3.010 N/A THR 83.A OG1 LYS 79.A O no hydrogen 2.525 N/A SER 84.A N ILE 81.A O no hydrogen 2.889 N/A SER 84.A OG LEU 80.A O no hydrogen 2.617 N/A GLU 86.A N GLU 86.A OE2 no hydrogen 2.626 N/A LEU 87.A N SER 84.A O no hydrogen 3.011 N/A SER 88.A N SER 84.A O no hydrogen 2.943 N/A SER 88.A OG LYS 82.A O no hydrogen 2.495 N/A SER 97.A OG PRO 95.A O no hydrogen 2.973 N/A TYR 98.A N ILE 149.A O no hydrogen 2.920 N/A TYR 98.A OH GLU 96.A OE1 no hydrogen 2.316 N/A VAL 99.A N GLU 105.A OE1 no hydrogen 2.472 N/A TYR 101.A N ASP 104.A OD1 no hydrogen 2.889 N/A GLU 105.A N VAL 99.A O no hydrogen 2.990 N/A ARG 106.A N ASP 104.A OD2 no hydrogen 3.098 N/A ARG 106.A NH2 ASP 141.A OD1 no hydrogen 3.191 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.731 N/A PHE 109.A N GLU 105.A O no hydrogen 3.183 N/A PHE 109.A N ARG 106.A O no hydrogen 3.053 N/A LEU 110.A N ARG 106.A O no hydrogen 3.403 N/A ALA 111.A N GLU 107.A O no hydrogen 3.358 N/A ALA 112.A N PHE 109.A O no hydrogen 3.172 N/A TYR 113.A N PHE 109.A O no hydrogen 2.981 N/A TYR 113.A OH SER 131.A O no hydrogen 2.562 N/A ASN 114.A N LEU 110.A O no hydrogen 3.086 N/A ARG 115.A N ALA 112.A O no hydrogen 3.286 N/A ARG 115.A NE ALA 111.A O no hydrogen 2.804 N/A GLU 118.A N ASN 114.A O no hydrogen 2.132 N/A ASN 123.A ND2 TYR 113.A O no hydrogen 2.539 N/A VAL 124.A N GLU 154.A OE2 no hydrogen 2.869 N/A TRP 125.A N SER 130.A O no hydrogen 2.771 N/A TRP 125.A NE1 ASN 123.A OD1 no hydrogen 2.474 N/A ILE 126.A N GLN 150.A O no hydrogen 2.815 N/A ALA 127.A N LEU 128.A O no hydrogen 3.265 N/A SER 130.A N TRP 125.A O no hydrogen 3.154 N/A SER 130.A OG GLU 132.A O no hydrogen 3.166 N/A SER 130.A OG GLU 135.A OE1 no hydrogen 3.490 N/A GLU 132.A N SER 130.A OG no hydrogen 2.713 N/A ALA 133.A N TYR 113.A OH no hydrogen 3.084 N/A GLU 135.A N GLU 132.A O no hydrogen 3.000 N/A LEU 136.A N ALA 133.A O no hydrogen 3.204 N/A LEU 137.A N ALA 133.A O no hydrogen 3.306 N/A ILE 140.A N LEU 136.A O no hydrogen 2.775 N/A GLU 142.A N PHE 139.A O no hydrogen 3.231 N/A HIS 147.A N ILE 100.A O no hydrogen 3.433 N/A ILE 149.A N TYR 98.A O no hydrogen 3.226 N/A GLN 150.A N ILE 126.A O no hydrogen 2.917 N/A GLN 150.A NE2 SER 97.A OG no hydrogen 3.071 N/A LYS 151.A N GLU 96.A O no hydrogen 2.960 N/A LYS 151.A NZ VAL 124.A O no hydrogen 3.496 N/A LYS 151.A NZ TYR 152.A O no hydrogen 2.299 N/A LYS 151.A NZ GLU 154.A OE2 no hydrogen 3.255 N/A TYR 152.A N VAL 124.A O no hydrogen 2.880 N/A LEU 157.A N VAL 284.A O no hydrogen 2.889 N/A LEU 159.A N ARG 164.A O no hydrogen 2.983 N/A GLU 160.A N TYR 233.A OH no hydrogen 3.216 N/A HIS 163.A N GLU 160.A OE1 no hydrogen 3.016 N/A HIS 163.A ND1 GLU 160.A OE2 no hydrogen 2.771 N/A ARG 164.A N LEU 159.A O no hydrogen 3.144 N/A ARG 164.A NE SER 191.A O no hydrogen 3.429 N/A ARG 164.A NH1 THR 190.A OG1 no hydrogen 3.194 N/A ARG 164.A NH1 GLU 220.A OE1 no hydrogen 2.651 N/A ARG 164.A NH2 PRO 161.A O no hydrogen 3.499 N/A LYS 165.A NZ TYR 152.A OH no hydrogen 2.373 N/A LYS 165.A NZ HIS 206.A O no hydrogen 2.762 N/A ASP 167.A N ARG 189.A O no hydrogen 3.456 N/A ILE 168.A N PHE 282.A O no hydrogen 2.958 N/A ARG 169.A N VAL 187.A O no hydrogen 3.091 N/A ARG 169.A NE ASP 281.A OD1 no hydrogen 2.652 N/A ARG 169.A NH2 ASP 281.A OD1 no hydrogen 3.398 N/A SER 170.A N PHE 280.A O no hydrogen 2.839 N/A TRP 171.A NE1 ALA 300.A O no hydrogen 3.078 N/A VAL 172.A N PHE 278.A O no hydrogen 2.979 N/A LEU 173.A N TYR 181.A O no hydrogen 2.785 N/A VAL 174.A N GLN 276.A O no hydrogen 3.105 N/A ASP 175.A N ASN 179.A O no hydrogen 3.168 N/A LEU 177.A N ASP 175.A OD1 no hydrogen 2.997 N/A TYR 178.A N ASP 175.A O no hydrogen 2.920 N/A TYR 178.A OH LEU 258.A O no hydrogen 2.643 N/A ASN 179.A N ASP 175.A OD1 no hydrogen 2.667 N/A ASN 179.A ND2 ASP 175.A OD2 no hydrogen 2.989 N/A TYR 181.A N LEU 173.A O no hydrogen 2.759 N/A LEU 182.A N ILE 330.A O no hydrogen 2.757 N/A TYR 183.A N TRP 171.A O no hydrogen 2.879 N/A TYR 183.A OH GLU 308.A OE1 no hydrogen 2.540 N/A ARG 184.A N ILE 328.A O no hydrogen 3.148 N/A ARG 184.A NH2 GLU 308.A OE2 no hydrogen 2.788 N/A VAL 187.A N ARG 169.A O no hydrogen 3.323 N/A LEU 188.A N MET 225.A O no hydrogen 2.625 N/A ARG 189.A N ASP 167.A O no hydrogen 3.017 N/A ARG 189.A NE ASP 167.A OD1 no hydrogen 2.862 N/A ARG 189.A NH1 ASP 167.A OD1 no hydrogen 2.619 N/A THR 190.A N ASN 223.A O no hydrogen 3.085 N/A THR 190.A OG1 GLU 220.A OE2 no hydrogen 2.636 N/A SER 191.A N LYS 165.A O no hydrogen 2.750 N/A SER 191.A OG GLU 193.A O no hydrogen 2.719 N/A SER 191.A OG THR 204.A O no hydrogen 3.569 N/A SER 192.A N GLN 213.A OE1 no hydrogen 2.682 N/A SER 192.A OG GLU 193.A OE2 no hydrogen 2.187 N/A SER 192.A OG GLN 213.A OE1 no hydrogen 3.143 N/A TYR 195.A N HIS 163.A O no hydrogen 2.836 N/A ASN 199.A N ASN 196.A OD1 no hydrogen 3.006 N/A LYS 203.A NZ GLN 201.A O no hydrogen 3.163 N/A THR 204.A N ASP 202.A O no hydrogen 2.224 N/A CYS 205.A SG PRO 194.A O no hydrogen 3.192 N/A CYS 205.A SG HIS 206.A ND1 no hydrogen 3.300 N/A LEU 207.A N LYS 203.A O no hydrogen 2.928 N/A THR 208.A OG1 ASP 167.A OD2 no hydrogen 2.416 N/A CYS 211.A SG ASN 209.A O no hydrogen 3.794 N/A CYS 211.A SG ASN 209.A OD1 no hydrogen 3.961 N/A GLN 213.A NE2 THR 204.A O no hydrogen 3.102 N/A GLN 213.A NE2 LEU 207.A O no hydrogen 3.222 N/A GLY 217.A N ASN 223.A OD1 no hydrogen 3.482 N/A ASN 223.A N GLU 220.A O no hydrogen 3.083 N/A ASN 223.A ND2 THR 190.A O no hydrogen 3.256 N/A MET 225.A N LEU 188.A O no hydrogen 2.906 N/A PHE 230.A N PHE 226.A O no hydrogen 3.215 N/A ASN 231.A N PHE 227.A O no hydrogen 2.894 N/A GLN 232.A N GLU 228.A O no hydrogen 3.120 N/A TYR 233.A N GLU 229.A O no hydrogen 2.874 N/A LEU 234.A N PHE 230.A O no hydrogen 3.040 N/A MET 235.A N ASN 231.A O no hydrogen 2.987 N/A ASP 236.A N GLN 232.A O no hydrogen 2.973 N/A ALA 237.A N TYR 233.A O no hydrogen 2.774 N/A LEU 238.A N LEU 234.A O no hydrogen 2.983 N/A ASN 239.A N MET 235.A O no hydrogen 3.183 N/A THR 240.A N LEU 234.A O no hydrogen 3.212 N/A LEU 242.A N ASN 231.A OD1 no hydrogen 2.841 N/A ASN 244.A N THR 241.A OG1 no hydrogen 3.156 N/A SER 245.A N THR 241.A O no hydrogen 3.167 N/A SER 245.A OG THR 241.A O no hydrogen 2.505 N/A ILE 246.A N LEU 242.A O no hydrogen 3.149 N/A LEU 247.A N LEU 242.A O no hydrogen 2.878 N/A LEU 248.A N GLU 243.A O no hydrogen 3.153 N/A GLN 249.A NE2 LEU 288.A O no hydrogen 3.199 N/A ILE 250.A N ILE 246.A O no hydrogen 3.142 N/A LYS 251.A N LEU 247.A O no hydrogen 2.827 N/A LYS 251.A NZ GLU 243.A OE2 no hydrogen 3.044 N/A HIS 252.A N LEU 248.A O no hydrogen 2.937 N/A ILE 253.A N GLN 249.A O no hydrogen 2.825 N/A ILE 254.A N ILE 250.A O no hydrogen 2.947 N/A ARG 255.A N LYS 251.A O no hydrogen 3.134 N/A SER 256.A N HIS 252.A O no hydrogen 3.116 N/A SER 256.A OG HIS 252.A O no hydrogen 2.823 N/A CYS 257.A N ILE 253.A O no hydrogen 3.031 N/A CYS 257.A SG ILE 253.A O no hydrogen 3.522 N/A LEU 258.A N ILE 254.A O no hydrogen 3.188 N/A MET 259.A N ARG 255.A O no hydrogen 2.968 N/A CYS 260.A N SER 256.A O no hydrogen 3.215 N/A CYS 260.A SG GLU 86.A OE1 no hydrogen 3.773 N/A ALA 264.A N ILE 261.A O no hydrogen 2.913 N/A ILE 265.A N ILE 261.A O no hydrogen 3.131 N/A ILE 265.A N GLU 262.A O no hydrogen 3.263 N/A SER 266.A N GLU 262.A O no hydrogen 2.866 N/A LYS 268.A N SER 266.A OG no hydrogen 3.226 N/A LEU 270.A N THR 267.A O no hydrogen 3.215 N/A GLN 273.A N GLN 60.A O no hydrogen 3.326 N/A SER 274.A N THR 267.A OG1 no hydrogen 3.182 N/A SER 274.A OG TYR 64.A O no hydrogen 2.915 N/A PHE 275.A N VAL 62.A O no hydrogen 3.002 N/A GLN 276.A N VAL 174.A O no hydrogen 3.123 N/A GLN 276.A NE2 GLY 297.A O no hydrogen 3.276 N/A PHE 278.A N VAL 172.A O no hydrogen 2.743 N/A GLY 279.A N ASN 296.A O no hydrogen 2.866 N/A PHE 280.A N SER 170.A O no hydrogen 2.850 N/A ASP 281.A N GLU 294.A O no hydrogen 2.872 N/A PHE 282.A N ILE 168.A O no hydrogen 2.691 N/A MET 283.A N TRP 291.A O no hydrogen 2.807 N/A ASP 285.A N LYS 289.A O no hydrogen 3.073 N/A GLU 286.A N LYS 155.A O no hydrogen 2.988 N/A GLU 287.A N ASP 285.A OD1 no hydrogen 3.115 N/A LEU 288.A N ASP 285.A O no hydrogen 3.100 N/A LYS 289.A N ASP 285.A OD1 no hydrogen 2.768 N/A LYS 289.A NZ THR 92.A O no hydrogen 2.599 N/A VAL 290.A N GLN 249.A OE1 no hydrogen 3.033 N/A TRP 291.A N MET 283.A O no hydrogen 2.741 N/A TRP 291.A NE1 ASP 285.A OD2 no hydrogen 2.932 N/A LEU 292.A N TRP 93.A O no hydrogen 2.882 N/A ILE 293.A N ASP 281.A O no hydrogen 2.792 N/A GLU 294.A N ASP 281.A O no hydrogen 3.467 N/A ASN 296.A N GLY 279.A O no hydrogen 2.834 N/A CYS 301.A N TYR 306.A OH no hydrogen 3.141 N/A CYS 301.A SG ALA 302.A O no hydrogen 3.429 N/A LEU 305.A N ALA 302.A O no hydrogen 2.948 N/A TYR 306.A OH CYS 301.A O no hydrogen 3.273 N/A LEU 309.A N LEU 305.A O no hydrogen 2.862 N/A CYS 310.A N TYR 306.A O no hydrogen 3.103 N/A CYS 310.A SG VAL 13.A O no hydrogen 3.212 N/A CYS 310.A SG TYR 306.A O no hydrogen 3.322 N/A GLN 311.A N ALA 307.A O no hydrogen 3.361 N/A GLN 311.A NE2 ASP 315.A OD2 no hydrogen 2.514 N/A GLY 312.A N GLU 308.A O no hydrogen 2.915 N/A ILE 313.A N LEU 309.A O no hydrogen 2.771 N/A VAL 314.A N CYS 310.A O no hydrogen 3.193 N/A ASP 315.A N GLN 311.A O no hydrogen 3.093 N/A VAL 316.A N GLY 312.A O no hydrogen 3.160 N/A ALA 317.A N ILE 313.A O no hydrogen 3.034 N/A SER 319.A N VAL 314.A O no hydrogen 2.824 N/A SER 319.A OG VAL 314.A O no hydrogen 3.188 N/A SER 320.A OG VAL 316.A O no hydrogen 2.721 N/A VAL 321.A N ILE 318.A O no hydrogen 3.175 N/A PHE 322.A N ILE 318.A O no hydrogen 2.894 N/A ALA 325.A N GLN 26.A OE1 no hydrogen 3.191 N/A PHE 329.A N SER 327.A OG no hydrogen 3.292 N/A ILE 330.A N LEU 182.A O no hydrogen 2.698 N/A LYS 331.A NZ ASN 179.A OD1 no hydrogen 3.009 N/A LEU 332.A N ILE 180.A O no hydrogen 2.911 N/A