Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kva_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 SER 211.A OG no hydrogen 3.228 N/A ALA 4.A N SER 211.A O no hydrogen 2.979 N/A THR 6.A N GLN 3.A O no hydrogen 3.336 N/A THR 6.A OG1 GLN 3.A O no hydrogen 2.975 N/A PHE 9.A N THR 6.A OG1 no hydrogen 3.161 N/A ILE 10.A N THR 6.A O no hydrogen 2.929 N/A LYS 11.A N ARG 7.A O no hydrogen 3.207 N/A LYS 11.A N THR 8.A O no hydrogen 3.037 N/A GLU 12.A N THR 8.A O no hydrogen 3.254 N/A LEU 13.A N PHE 9.A O no hydrogen 3.019 N/A ARG 14.A N ILE 10.A O no hydrogen 2.944 N/A ARG 14.A NE ASP 163.A OD1 no hydrogen 3.200 N/A ARG 14.A NH2 ASP 163.A OD1 no hydrogen 3.016 N/A ARG 14.A NH2 SER 246.A O no hydrogen 3.088 N/A SER 15.A N LYS 11.A O no hydrogen 3.174 N/A SER 15.A OG LYS 11.A O no hydrogen 2.824 N/A SER 15.A OG GLU 12.A O no hydrogen 2.962 N/A ARG 16.A N GLU 12.A O no hydrogen 3.072 N/A SER 20.A OG ASP 22.A OD2 no hydrogen 2.983 N/A ALA 21.A N LYS 224.A O no hydrogen 2.986 N/A ASP 22.A N SER 20.A OG no hydrogen 3.301 N/A GLU 23.A N SER 20.A O no hydrogen 3.144 N/A ILE 24.A N ALA 21.A O no hydrogen 3.107 N/A ILE 25.A N ALA 21.A O no hydrogen 2.925 N/A ILE 26.A N PRO 46.A O no hydrogen 3.159 N/A LYS 27.A NZ ASP 22.A OD1 no hydrogen 3.331 N/A MET 28.A N MET 48.A O no hydrogen 2.947 N/A HIS 29.A N GLN 32.A OE1 no hydrogen 2.744 N/A HIS 29.A ND1 GLN 32.A OE1 no hydrogen 3.164 N/A SER 31.A OG ASP 54.A OD2 no hydrogen 3.428 N/A GLN 32.A N HIS 29.A O no hydrogen 2.893 N/A LEU 33.A N HIS 29.A O no hydrogen 3.359 N/A TYR 37.A N THR 34.A OG1 no hydrogen 2.924 N/A LEU 38.A N THR 34.A O no hydrogen 2.990 N/A GLU 39.A N GLN 35.A O no hydrogen 2.870 N/A LYS 40.A N TYR 37.A O no hydrogen 3.075 N/A HIS 41.A N TYR 37.A O no hydrogen 2.925 N/A HIS 41.A ND1 TYR 37.A O no hydrogen 3.150 N/A GLY 42.A N LEU 38.A O no hydrogen 2.525 N/A ILE 47.A N PHE 234.A O no hydrogen 3.057 N/A MET 48.A N ILE 26.A O no hydrogen 2.748 N/A VAL 49.A N THR 232.A O no hydrogen 2.876 N/A LEU 55.A N LEU 52.A O no hydrogen 3.267 N/A ARG 58.A N GLU 127.A O no hydrogen 3.000 N/A ARG 58.A NH2 GLU 124.A O no hydrogen 2.481 N/A SER 61.A OG THR 63.A OG1 no hydrogen 3.090 N/A THR 63.A OG1 SER 61.A OG no hydrogen 3.090 N/A PHE 64.A N SER 61.A O no hydrogen 2.703 N/A SER 65.A N ASP 68.A OD1 no hydrogen 3.071 N/A ASP 68.A N SER 65.A OG no hydrogen 3.315 N/A VAL 69.A N SER 65.A O no hydrogen 3.254 N/A GLU 70.A N VAL 66.A O no hydrogen 3.288 N/A ARG 71.A N MET 67.A O no hydrogen 3.120 N/A TYR 72.A N ASP 68.A O no hydrogen 2.877 N/A VAL 73.A N VAL 69.A O no hydrogen 2.916 N/A GLY 74.A N GLU 70.A O no hydrogen 2.764 N/A LYS 77.A N GLY 74.A O no hydrogen 2.979 N/A ILE 79.A N MET 92.A O no hydrogen 2.752 N/A VAL 81.A N SER 90.A O no hydrogen 3.255 N/A ILE 82.A N ASN 111.A O no hydrogen 2.783 N/A ASP 83.A N ALA 88.A O no hydrogen 2.938 N/A VAL 84.A N VAL 109.A O no hydrogen 3.073 N/A ARG 86.A NH1 ASP 83.A OD1 no hydrogen 3.076 N/A GLN 87.A N VAL 84.A O no hydrogen 2.929 N/A GLN 87.A NE2 VAL 84.A O no hydrogen 2.824 N/A GLN 87.A NE2 TYR 165.A O no hydrogen 3.136 N/A ALA 88.A N ASP 83.A O no hydrogen 3.174 N/A SER 90.A N VAL 81.A O no hydrogen 2.786 N/A LYS 91.A NZ ASP 80.A OD1 no hydrogen 2.618 N/A MET 92.A N ILE 79.A O no hydrogen 3.157 N/A LEU 94.A N LYS 77.A O no hydrogen 2.992 N/A HIS 95.A N GLY 75.A O no hydrogen 2.870 N/A HIS 95.A ND1 GLU 70.A OE2 no hydrogen 2.506 N/A ASN 96.A N THR 93.A OG1 no hydrogen 2.918 N/A TYR 97.A N THR 93.A O no hydrogen 2.971 N/A TYR 97.A OH LEU 110.A O no hydrogen 3.224 N/A VAL 98.A N LEU 94.A O no hydrogen 3.310 N/A LYS 99.A N HIS 95.A O no hydrogen 3.116 N/A TYR 100.A N ASN 96.A O no hydrogen 3.025 N/A TYR 100.A OH LYS 108.A O no hydrogen 2.330 N/A PHE 101.A N TYR 97.A O no hydrogen 2.617 N/A MET 102.A N VAL 98.A O no hydrogen 2.861 N/A ASN 103.A N LYS 99.A O no hydrogen 3.128 N/A ASN 103.A N TYR 100.A O no hydrogen 3.285 N/A ASN 105.A N ASN 103.A OD1 no hydrogen 2.614 N/A ARG 106.A NE PHE 101.A O no hydrogen 3.361 N/A ARG 106.A NH1 ASP 248.A OD1 no hydrogen 2.971 N/A ARG 106.A NH2 PHE 101.A O no hydrogen 2.737 N/A ARG 106.A NH2 ASP 248.A OD1 no hydrogen 2.628 N/A LYS 108.A NZ ASP 83.A OD1 no hydrogen 3.506 N/A LYS 108.A NZ ASP 83.A OD2 no hydrogen 3.459 N/A LEU 110.A N TYR 100.A OH no hydrogen 2.816 N/A ASN 111.A N ILE 82.A O no hydrogen 2.959 N/A VAL 112.A N MET 159.A O no hydrogen 2.878 N/A PHE 117.A N LYS 155.A O no hydrogen 3.204 N/A SER 118.A N GLU 116.A OE2 no hydrogen 2.871 N/A SER 118.A OG GLU 116.A OE1 no hydrogen 3.317 N/A SER 118.A OG GLU 116.A OE2 no hydrogen 2.802 N/A THR 120.A N PHE 117.A O no hydrogen 3.007 N/A THR 120.A OG1 PHE 117.A O no hydrogen 2.721 N/A MET 122.A N THR 120.A OG1 no hydrogen 3.300 N/A SER 123.A N THR 120.A O no hydrogen 3.171 N/A SER 123.A OG SER 118.A O no hydrogen 3.193 N/A LEU 125.A N MET 122.A O no hydrogen 3.350 N/A VAL 126.A N SER 123.A O no hydrogen 2.909 N/A GLU 127.A N ARG 58.A O no hydrogen 2.941 N/A ASP 130.A N LEU 55.A O no hydrogen 2.699 N/A LYS 133.A N PRO 129.A O no hydrogen 3.216 N/A LYS 134.A N ASP 130.A O no hydrogen 2.855 N/A LYS 134.A N ILE 131.A O no hydrogen 3.198 N/A LEU 135.A N ILE 131.A O no hydrogen 3.097 N/A SER 136.A N ALA 132.A O no hydrogen 2.924 N/A TRP 137.A N LEU 257.A O no hydrogen 2.923 N/A TRP 137.A NE1 ASN 259.A OD1 no hydrogen 2.691 N/A GLU 139.A N SER 136.A OG no hydrogen 2.987 N/A ASN 140.A N SER 136.A O no hydrogen 3.219 N/A ASN 140.A N TRP 137.A O no hydrogen 3.146 N/A ASN 140.A ND2 LYS 134.A O no hydrogen 2.850 N/A TYR 141.A N TRP 137.A O no hydrogen 2.838 N/A LYS 150.A NZ VAL 138.A O no hydrogen 3.316 N/A GLN 154.A NE2 PRO 151.A O no hydrogen 3.097 N/A LYS 155.A N GLU 116.A OE1 no hydrogen 2.991 N/A LYS 155.A NZ SER 123.A O no hydrogen 3.211 N/A LYS 155.A NZ VAL 126.A O no hydrogen 2.655 N/A TYR 156.A N GLY 253.A O no hydrogen 2.967 N/A CYS 157.A N LEU 115.A O no hydrogen 2.935 N/A LEU 158.A N ALA 251.A O no hydrogen 2.721 N/A MET 159.A N VAL 112.A O no hydrogen 2.885 N/A GLY 160.A N CYS 249.A O no hydrogen 3.176 N/A GLN 162.A N ASP 248.A OD2 no hydrogen 2.953 N/A GLN 162.A NE2 SER 246.A O no hydrogen 3.246 N/A ASP 163.A N THR 245.A O no hydrogen 2.598 N/A SER 164.A N VAL 161.A O no hydrogen 3.229 N/A SER 164.A OG VAL 161.A O no hydrogen 2.513 N/A TYR 165.A OH ASP 167.A OD1 no hydrogen 2.680 N/A THR 166.A N VAL 243.A O no hydrogen 2.923 N/A PHE 168.A N ASP 167.A OD1 no hydrogen 3.003 N/A HIS 169.A N HIS 241.A O no hydrogen 3.014 N/A HIS 169.A ND1 ASP 167.A O no hydrogen 3.140 N/A ILE 170.A N TYR 201.A OH no hydrogen 3.324 N/A GLY 173.A N GLU 272.A OE1 no hydrogen 3.052 N/A GLY 174.A N ASP 171.A O no hydrogen 2.931 N/A THR 175.A N PHE 172.A O no hydrogen 3.164 N/A THR 175.A OG1 PHE 172.A O no hydrogen 3.170 N/A SER 176.A N PHE 256.A O no hydrogen 2.992 N/A VAL 177.A N VAL 235.A O no hydrogen 2.946 N/A TRP 178.A N GLY 254.A O no hydrogen 3.092 N/A TYR 179.A N LEU 233.A O no hydrogen 2.776 N/A HIS 180.A N PHE 252.A O no hydrogen 2.823 N/A HIS 180.A ND1 THR 232.A OG1 no hydrogen 2.604 N/A VAL 181.A N HIS 231.A O no hydrogen 3.245 N/A LEU 182.A N MET 250.A O no hydrogen 2.876 N/A TRP 183.A N MET 250.A O no hydrogen 3.455 N/A TRP 183.A NE1 PHE 64.A O no hydrogen 2.934 N/A LYS 186.A N VAL 227.A O no hydrogen 3.174 N/A LYS 186.A NZ THR 245.A OG1 no hydrogen 3.404 N/A ILE 187.A N LEU 244.A O no hydrogen 2.774 N/A PHE 188.A N CYS 225.A O no hydrogen 2.733 N/A TYR 189.A N ALA 242.A O no hydrogen 2.760 N/A LEU 190.A N TYR 223.A O no hydrogen 2.833 N/A ILE 191.A N ILE 240.A O no hydrogen 2.710 N/A THR 194.A N LYS 192.A O no hydrogen 2.825 N/A ASN 197.A N THR 194.A OG1 no hydrogen 2.973 N/A ASN 197.A ND2 LYS 192.A O no hydrogen 2.791 N/A LEU 198.A N THR 194.A O no hydrogen 2.847 N/A ALA 199.A N ASP 195.A O no hydrogen 3.190 N/A ARG 200.A N GLU 196.A O no hydrogen 3.132 N/A ARG 200.A NH1 LYS 218.A O no hydrogen 2.560 N/A TYR 201.A N ASN 197.A O no hydrogen 2.989 N/A GLU 202.A N LEU 198.A O no hydrogen 3.021 N/A SER 203.A N ALA 199.A O no hydrogen 3.010 N/A TRP 204.A N ARG 200.A O no hydrogen 2.861 N/A TRP 204.A NE1 VAL 213.A O no hydrogen 2.750 N/A SER 205.A N TYR 201.A O no hydrogen 2.872 N/A SER 205.A OG TYR 201.A O no hydrogen 3.179 N/A SER 206.A N GLU 202.A O no hydrogen 3.336 N/A SER 206.A OG GLU 202.A O no hydrogen 2.947 N/A SER 206.A OG SER 203.A O no hydrogen 3.475 N/A SER 207.A OG SER 203.A O no hydrogen 3.566 N/A SER 207.A OG TRP 204.A O no hydrogen 2.861 N/A GLN 210.A N SER 207.A O no hydrogen 3.202 N/A GLU 212.A N THR 209.A O no hydrogen 2.853 N/A VAL 213.A N GLN 210.A O no hydrogen 3.479 N/A ASP 217.A N PHE 214.A O no hydrogen 2.962 N/A LYS 218.A N PHE 215.A O no hydrogen 3.027 N/A TYR 223.A N LEU 190.A O no hydrogen 3.010 N/A LYS 224.A N PRO 19.A O no hydrogen 3.034 N/A CYS 225.A N PHE 188.A O no hydrogen 2.712 N/A VAL 227.A N LYS 186.A O no hydrogen 2.825 N/A LYS 228.A NZ GLU 185.A OE2 no hydrogen 3.563 N/A GLN 229.A NE2 LEU 182.A O no hydrogen 2.946 N/A GLY 230.A N VAL 181.A O no hydrogen 2.898 N/A HIS 231.A N LYS 228.A O no hydrogen 3.180 N/A HIS 231.A ND1 GLN 229.A O no hydrogen 3.074 N/A THR 232.A N VAL 49.A O no hydrogen 2.966 N/A THR 232.A OG1 HIS 180.A ND1 no hydrogen 2.604 N/A LEU 233.A N TYR 179.A O no hydrogen 2.753 N/A PHE 234.A N ILE 47.A O no hydrogen 2.859 N/A VAL 235.A N VAL 177.A O no hydrogen 2.839 N/A TRP 239.A NE1 ASP 44.A O no hydrogen 3.143 N/A ILE 240.A N ILE 191.A O no hydrogen 3.048 N/A HIS 241.A N HIS 169.A O no hydrogen 3.103 N/A HIS 241.A ND1 TRP 239.A O no hydrogen 3.028 N/A ALA 242.A N TYR 189.A O no hydrogen 3.025 N/A VAL 243.A N THR 166.A O no hydrogen 3.142 N/A LEU 244.A N ILE 187.A O no hydrogen 2.885 N/A THR 245.A N SER 164.A O no hydrogen 2.892 N/A SER 246.A N GLU 185.A O no hydrogen 3.166 N/A SER 246.A OG GLU 185.A O no hydrogen 3.118 N/A SER 246.A OG GLU 185.A OE1 no hydrogen 2.960 N/A CYS 249.A N GLY 160.A O no hydrogen 3.055 N/A CYS 249.A SG TRP 183.A O no hydrogen 3.282 N/A MET 250.A N TRP 183.A O no hydrogen 3.226 N/A ALA 251.A N LEU 158.A O no hydrogen 2.947 N/A PHE 252.A N HIS 180.A O no hydrogen 2.847 N/A GLY 253.A N TYR 156.A O no hydrogen 3.086 N/A GLY 254.A N TRP 178.A O no hydrogen 3.208 N/A ASN 255.A N VAL 153.A O no hydrogen 2.815 N/A ASN 255.A ND2 THR 175.A OG1 no hydrogen 2.863 N/A PHE 256.A N SER 176.A O no hydrogen 3.003 N/A HIS 258.A N GLN 265.A OE1 no hydrogen 2.956 N/A ASN 259.A ND2 TYR 141.A OH no hydrogen 2.877 N/A ASN 261.A ND2 PHE 43.A O no hydrogen 3.062 N/A ASN 261.A ND2 THR 237.A OG1 no hydrogen 3.263 N/A GLN 265.A N ASN 261.A O no hydrogen 3.088 N/A GLN 265.A NE2 HIS 258.A O no hydrogen 3.428 N/A LEU 266.A N ILE 262.A O no hydrogen 3.020 N/A ARG 267.A N GLY 263.A O no hydrogen 3.010 N/A ARG 267.A NH2 ASP 195.A OD2 no hydrogen 2.648 N/A CYS 268.A N MET 264.A O no hydrogen 2.987 N/A CYS 268.A SG MET 264.A O no hydrogen 3.366 N/A TYR 269.A N GLN 265.A O no hydrogen 3.165 N/A TYR 269.A OH GLU 287.A OE2 no hydrogen 2.707 N/A GLU 270.A N LEU 266.A O no hydrogen 3.124 N/A MET 271.A N ARG 267.A O no hydrogen 3.060 N/A GLU 272.A N CYS 268.A O no hydrogen 3.073 N/A LYS 273.A N GLU 270.A O no hydrogen 3.400 N/A ARG 274.A N GLU 270.A O no hydrogen 3.257 N/A ARG 274.A NE GLU 202.A OE1 no hydrogen 2.715 N/A ARG 274.A NH2 GLU 202.A OE1 no hydrogen 3.447 N/A ARG 274.A NH2 GLU 202.A OE2 no hydrogen 3.258 N/A LEU 275.A N MET 271.A O no hydrogen 2.954 N/A LYS 276.A N LYS 273.A O no hydrogen 2.931 N/A THR 277.A N GLU 272.A O no hydrogen 2.968 N/A THR 277.A OG1 GLU 272.A O no hydrogen 3.526 N/A LEU 280.A N THR 277.A O no hydrogen 3.054 N/A PHE 281.A N PRO 278.A O no hydrogen 3.287 N/A LYS 282.A N ASP 279.A O no hydrogen 2.814 N/A PHE 283.A N LEU 280.A O no hydrogen 3.230 N/A PHE 286.A N PHE 283.A O no hydrogen 3.206 N/A ILE 289.A N PHE 285.A O no hydrogen 3.288 N/A CYS 290.A N PHE 286.A O no hydrogen 3.246 N/A CYS 290.A SG PHE 286.A O no hydrogen 3.373 N/A TRP 291.A N GLU 287.A O no hydrogen 3.168 N/A TRP 291.A N ALA 288.A O no hydrogen 3.128 N/A PHE 292.A N ALA 288.A O no hydrogen 3.272 N/A VAL 293.A N ILE 289.A O no hydrogen 2.883 N/A ALA 294.A N CYS 290.A O no hydrogen 3.039 N/A LYS 295.A N TRP 291.A O no hydrogen 3.066 N/A LYS 295.A NZ ASN 345.A O no hydrogen 3.111 N/A ASN 296.A N PHE 292.A O no hydrogen 3.210 N/A ASN 296.A ND2 PHE 292.A O no hydrogen 2.777 N/A LEU 297.A N VAL 293.A O no hydrogen 2.710 N/A LEU 298.A N ALA 294.A O no hydrogen 2.838 N/A GLU 299.A N LYS 295.A O no hydrogen 3.166 N/A THR 300.A N ASN 296.A O no hydrogen 3.110 N/A LEU 301.A N LEU 297.A O no hydrogen 3.251 N/A LYS 302.A N LEU 298.A O no hydrogen 2.810 N/A LYS 302.A NZ GLU 354.A OE1 no hydrogen 3.136 N/A GLU 303.A N GLU 299.A O no hydrogen 2.999 N/A LEU 304.A N THR 300.A O no hydrogen 3.076 N/A ARG 305.A N LEU 301.A O no hydrogen 2.808 N/A GLU 306.A N LYS 302.A O no hydrogen 3.015 N/A GLY 308.A N ARG 305.A O no hydrogen 3.017 N/A PHE 309.A N LEU 304.A O no hydrogen 2.753 N/A GLN 312.A NE2 GLU 39.A O no hydrogen 3.069 N/A LEU 315.A N GLN 312.A O no hydrogen 3.021 N/A VAL 316.A N GLN 312.A O no hydrogen 3.377 N/A VAL 316.A N THR 313.A O no hydrogen 3.115 N/A GLN 317.A N THR 313.A O no hydrogen 3.119 N/A GLY 318.A N TYR 314.A O no hydrogen 2.919 N/A VAL 319.A N LEU 315.A O no hydrogen 3.103 N/A LYS 320.A N VAL 316.A O no hydrogen 2.869 N/A ALA 321.A N GLN 317.A O no hydrogen 3.003 N/A ALA 321.A N GLY 318.A O no hydrogen 3.028 N/A LEU 322.A N GLY 318.A O no hydrogen 3.015 N/A HIS 323.A N VAL 319.A O no hydrogen 2.959 N/A THR 324.A N LYS 320.A O no hydrogen 3.399 N/A THR 324.A OG1 LYS 320.A O no hydrogen 3.471 N/A ALA 325.A N ALA 321.A O no hydrogen 3.171 N/A LEU 326.A N LEU 322.A O no hydrogen 2.768 N/A LYS 327.A N HIS 323.A O no hydrogen 2.961 N/A LEU 328.A N THR 324.A O no hydrogen 2.875 N/A TRP 329.A N ALA 325.A O no hydrogen 2.984 N/A MET 330.A N LYS 327.A O no hydrogen 3.326 N/A LYS 331.A N LEU 328.A O no hydrogen 3.347 N/A LEU 334.A N LYS 331.A O no hydrogen 2.636 N/A VAL 335.A N LYS 331.A O no hydrogen 2.755 N/A GLU 337.A N LEU 334.A O no hydrogen 3.006 N/A HIS 338.A ND1 GLU 287.A OE1 no hydrogen 2.635 N/A HIS 338.A ND1 GLU 287.A OE2 no hydrogen 2.906 N/A ALA 339.A N VAL 335.A O no hydrogen 2.851 N/A GLU 341.A N HIS 338.A O no hydrogen 2.926 N/A ILE 342.A N ALA 339.A O no hydrogen 2.964 N/A ASN 345.A ND2 ASP 145.A OD2 no hydrogen 3.212 N/A VAL 346.A N PRO 343.A O no hydrogen 3.428 N/A LEU 351.A N ARG 347.A O no hydrogen 2.832 N/A ILE 352.A N PRO 348.A O no hydrogen 3.170 N/A LYS 353.A N HIS 350.A O no hydrogen 2.818 N/A GLU 354.A N HIS 350.A O no hydrogen 2.916 N/A LEU 355.A N LEU 351.A O no hydrogen 2.898 N/A SER 356.A N ILE 352.A O no hydrogen 3.166 N/A LYS 357.A N LYS 353.A O no hydrogen 3.069 N/A LYS 357.A NZ GLU 354.A OE1 no hydrogen 2.864 N/A LYS 357.A NZ GLU 354.A OE2 no hydrogen 2.828 N/A VAL 358.A N GLU 354.A O no hydrogen 3.019 N/A ILE 359.A N LEU 355.A O no hydrogen 2.879 N/A ARG 360.A N SER 356.A O no hydrogen 2.848 N/A ALA 361.A N LYS 357.A O no hydrogen 2.663 N/A ILE 362.A N VAL 358.A O no hydrogen 3.346 N/A GLU 363.A N ILE 359.A O no hydrogen 2.931 N/A GLU 364.A N ARG 360.A O no hydrogen 2.908 N/A GLU 365.A N ALA 361.A O no hydrogen 2.619 N/A