Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5npq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASP 7.A OD2 no hydrogen 3.327 N/A TYR 3.A OH VAL 165.A O no hydrogen 3.059 N/A ASP 7.A N TYR 3.A O no hydrogen 3.121 N/A THR 8.A N PHE 5.A O no hydrogen 3.087 N/A THR 8.A OG1 PHE 5.A O no hydrogen 2.874 N/A GLN 9.A N TRP 6.A O no hydrogen 3.182 N/A GLN 9.A NE2 THR 8.A OG1 no hydrogen 3.137 N/A VAL 11.A N GLN 9.A O no hydrogen 2.720 N/A LYS 13.A N GLU 16.A OE2 no hydrogen 2.956 N/A LYS 13.A NZ ASP 7.A O no hydrogen 2.932 N/A GLU 16.A N LYS 13.A O no hydrogen 3.068 N/A GLY 22.A N LYS 341.A O no hydrogen 2.880 N/A GLU 25.A N ASN 339.A OD1 no hydrogen 2.637 N/A ARG 32.A NH1 GLU 34.A O no hydrogen 2.948 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.616 N/A TYR 36.A N GLU 145.A OE1 no hydrogen 3.156 N/A PHE 42.A N PRO 39.A O no hydrogen 3.338 N/A THR 43.A N ARG 94.A O no hydrogen 2.693 N/A THR 43.A OG1 TRP 44.A O no hydrogen 3.286 N/A TRP 44.A NE1 TYR 36.A O no hydrogen 2.820 N/A LEU 47.A N HIS 90.A O no hydrogen 3.019 N/A GLY 50.A N ASP 48.A OD1 no hydrogen 3.322 N/A ASP 51.A N ASP 48.A O no hydrogen 3.119 N/A ARG 52.A NH1 ARG 52.A O no hydrogen 3.538 N/A VAL 54.A N ASP 51.A OD1 no hydrogen 2.998 N/A LEU 55.A N ASP 51.A O no hydrogen 2.986 N/A LYS 56.A N ARG 52.A O no hydrogen 2.967 N/A GLU 57.A N GLY 53.A O no hydrogen 3.025 N/A LEU 58.A N VAL 54.A O no hydrogen 3.039 N/A TYR 59.A N LEU 55.A O no hydrogen 2.847 N/A THR 60.A N LYS 56.A O no hydrogen 2.958 N/A THR 60.A OG1 LYS 56.A O no hydrogen 2.763 N/A LEU 61.A N GLU 57.A O no hydrogen 3.038 N/A LEU 62.A N LEU 58.A O no hydrogen 2.971 N/A ASN 63.A N TYR 59.A O no hydrogen 3.090 N/A GLU 64.A N THR 60.A O no hydrogen 3.201 N/A ASN 65.A N LEU 61.A O no hydrogen 2.894 N/A ASN 65.A ND2 LEU 61.A O no hydrogen 3.165 N/A TYR 66.A N LEU 62.A O no hydrogen 2.906 N/A ARG 68.A N THR 273.A O no hydrogen 3.069 N/A ASP 70.A N PRO 271.A O no hydrogen 3.026 N/A SER 72.A OG GLU 74.A OE1 no hydrogen 3.445 N/A PHE 75.A N SER 72.A OG no hydrogen 2.797 N/A LEU 76.A N SER 72.A O no hydrogen 2.916 N/A LEU 77.A N PRO 73.A O no hydrogen 3.020 N/A TRP 78.A N GLU 74.A O no hydrogen 3.092 N/A TRP 78.A NE1 HIS 240.A O no hydrogen 3.044 N/A ALA 79.A N PHE 75.A O no hydrogen 2.948 N/A LEU 80.A N LEU 76.A O no hydrogen 2.790 N/A ARG 81.A N LEU 77.A O no hydrogen 2.969 N/A TRP 85.A N PRO 82.A O no hydrogen 3.067 N/A GLN 88.A N GLN 88.A OE1 no hydrogen 2.810 N/A TRP 89.A N LEU 86.A O no hydrogen 3.075 N/A TRP 89.A NE1 ARG 149.A O no hydrogen 3.227 N/A HIS 90.A N PRO 87.A O no hydrogen 2.887 N/A HIS 90.A NE2 LEU 80.A O no hydrogen 2.807 N/A CYS 91.A N ILE 105.A O no hydrogen 2.884 N/A GLY 92.A N ASP 45.A O no hydrogen 2.894 N/A VAL 93.A N GLY 103.A O no hydrogen 3.005 N/A ARG 94.A N THR 43.A O no hydrogen 2.722 N/A ARG 94.A NE ASP 45.A OD2 no hydrogen 2.644 N/A ARG 94.A NH1 ARG 99.A O no hydrogen 2.851 N/A ARG 94.A NH2 GLU 57.A OE1 no hydrogen 2.980 N/A VAL 95.A N LYS 100.A O no hydrogen 2.839 N/A VAL 96.A N GLY 41.A O no hydrogen 2.689 N/A ARG 99.A NE GLU 57.A OE2 no hydrogen 3.030 N/A ARG 99.A NH2 GLU 57.A OE1 no hydrogen 3.343 N/A LYS 100.A N SER 98.A OG no hydrogen 3.232 N/A VAL 102.A N VAL 93.A O no hydrogen 2.904 N/A PHE 104.A N CYS 128.A O no hydrogen 2.818 N/A ILE 105.A N CYS 91.A O no hydrogen 3.028 N/A SER 106.A N ASN 125.A O no hydrogen 3.102 N/A SER 106.A OG ASN 125.A O no hydrogen 3.118 N/A ALA 107.A N TRP 89.A O no hydrogen 2.990 N/A ILE 108.A N GLU 123.A O no hydrogen 3.071 N/A ALA 110.A N MET 121.A O no hydrogen 2.937 N/A ILE 112.A N LYS 119.A O no hydrogen 2.955 N/A HIS 113.A N THR 230.A O no hydrogen 2.730 N/A ILE 114.A N THR 117.A O no hydrogen 2.691 N/A TYR 115.A N HIS 228.A O no hydrogen 2.736 N/A TYR 115.A OH PRO 343.A O no hydrogen 2.261 N/A THR 117.A N ILE 114.A O no hydrogen 2.953 N/A LYS 119.A N ILE 112.A O no hydrogen 2.927 N/A LYS 119.A NZ GLN 157.A OE1 no hydrogen 2.792 N/A MET 121.A N ALA 110.A O no hydrogen 2.927 N/A VAL 122.A N GLN 157.A O no hydrogen 3.282 N/A GLU 123.A N ILE 108.A O no hydrogen 2.766 N/A ILE 124.A N VAL 159.A O no hydrogen 3.222 N/A ASN 125.A N SER 106.A O no hydrogen 3.126 N/A ASN 125.A ND2 GLN 355.A OXT no hydrogen 3.030 N/A PHE 126.A N ASN 125.A OD1 no hydrogen 2.978 N/A CYS 128.A N PHE 104.A O no hydrogen 2.767 N/A HIS 130.A N VAL 102.A O no hydrogen 2.904 N/A LYS 131.A N ASN 65.A OD1 no hydrogen 2.828 N/A LYS 132.A N HIS 130.A ND1 no hydrogen 3.116 N/A LEU 133.A N HIS 130.A O no hydrogen 2.890 N/A ARG 134.A N LYS 131.A O no hydrogen 3.308 N/A ARG 134.A NE VAL 129.A O no hydrogen 2.450 N/A ARG 134.A NH2 VAL 129.A O no hydrogen 3.314 N/A VAL 141.A N VAL 138.A O no hydrogen 3.071 N/A LEU 142.A N VAL 138.A O no hydrogen 3.173 N/A ILE 143.A N ALA 139.A O no hydrogen 2.946 N/A ARG 144.A N PRO 140.A O no hydrogen 2.992 N/A GLU 145.A N VAL 141.A O no hydrogen 2.878 N/A ILE 146.A N LEU 142.A O no hydrogen 2.935 N/A THR 147.A N ILE 143.A O no hydrogen 2.994 N/A THR 147.A OG1 ILE 143.A O no hydrogen 2.705 N/A ARG 148.A N ARG 144.A O no hydrogen 2.934 N/A ARG 148.A NE GLU 145.A OE1 no hydrogen 2.948 N/A ARG 148.A NH1 ARG 32.A O no hydrogen 2.951 N/A ARG 148.A NH2 GLU 145.A OE2 no hydrogen 2.777 N/A ARG 149.A N GLU 145.A O no hydrogen 2.923 N/A ARG 149.A NE GLU 145.A OE2 no hydrogen 2.669 N/A ARG 149.A NH1 ASP 45.A O no hydrogen 3.445 N/A ARG 149.A NH1 GLN 88.A O no hydrogen 3.004 N/A ARG 149.A NH2 GLU 145.A OE2 no hydrogen 3.268 N/A VAL 150.A N ILE 146.A O no hydrogen 2.857 N/A HIS 151.A N THR 147.A O no hydrogen 2.853 N/A LEU 152.A N ARG 148.A O no hydrogen 3.010 N/A GLU 153.A N VAL 150.A O no hydrogen 3.063 N/A GLY 154.A N HIS 151.A O no hydrogen 2.912 N/A ILE 155.A N VAL 150.A O no hydrogen 3.390 N/A GLN 157.A NE2 ASN 339.A O no hydrogen 2.801 N/A ALA 158.A N TYR 338.A O no hydrogen 3.390 N/A VAL 159.A N VAL 122.A O no hydrogen 2.935 N/A TYR 160.A N TYR 336.A O no hydrogen 3.121 N/A ALA 162.A N GLN 334.A O no hydrogen 3.141 N/A LEU 166.A N TYR 336.A OH no hydrogen 2.568 N/A LYS 168.A NZ GLU 16.A O no hydrogen 3.316 N/A VAL 170.A N TYR 335.A O no hydrogen 2.766 N/A THR 172.A OG1 GLN 334.A OE1 no hydrogen 2.943 N/A CYS 173.A N LEU 333.A O no hydrogen 2.824 N/A ARG 174.A N ASP 313.A OD1 no hydrogen 3.064 N/A TRP 176.A N ALA 311.A O no hydrogen 2.990 N/A HIS 177.A N GLY 327.A O no hydrogen 2.814 N/A ARG 178.A N PHE 309.A O no hydrogen 2.854 N/A ARG 178.A NE LEU 324.A O no hydrogen 2.853 N/A ARG 178.A NH1 SER 179.A O no hydrogen 3.278 N/A ARG 178.A NH1 TYR 194.A O no hydrogen 3.253 N/A LEU 180.A N ASP 307.A O no hydrogen 2.937 N/A ASN 181.A N ASP 307.A O no hydrogen 3.028 N/A ASN 181.A ND2 ASP 307.A OD1 no hydrogen 3.011 N/A LYS 184.A N ASN 181.A OD1 no hydrogen 3.324 N/A ILE 186.A N PRO 182.A O no hydrogen 3.130 N/A MET 191.A N MET 187.A O no hydrogen 2.977 N/A LYS 192.A N GLN 188.A O no hydrogen 3.201 N/A LEU 193.A N ARG 189.A O no hydrogen 3.366 N/A ARG 195.A N LYS 192.A O no hydrogen 3.247 N/A LYS 201.A N ASP 296.A OD1 no hydrogen 2.770 N/A LYS 201.A NZ ASP 292.A OD1 no hydrogen 3.184 N/A LYS 201.A NZ ASP 292.A OD2 no hydrogen 3.108 N/A THR 202.A N ASP 296.A OD2 no hydrogen 2.736 N/A THR 202.A OG1 ASP 296.A OD2 no hydrogen 2.563 N/A ARG 206.A N VAL 253.A O no hydrogen 3.106 N/A ARG 206.A NE GLU 255.A OE1 no hydrogen 2.825 N/A ARG 206.A NH1 PRO 207.A O no hydrogen 3.132 N/A ARG 206.A NH1 ASP 212.A OD2 no hydrogen 2.782 N/A ARG 206.A NH2 ASP 212.A OD1 no hydrogen 2.859 N/A ARG 206.A NH2 ASP 212.A OD2 no hydrogen 3.523 N/A ARG 206.A NH2 GLU 255.A OE1 no hydrogen 3.191 N/A MET 208.A N THR 251.A O no hydrogen 2.855 N/A GLU 209.A N ASP 212.A OD2 no hydrogen 2.792 N/A ASP 212.A N GLU 209.A O no hydrogen 2.972 N/A ILE 213.A N THR 210.A O no hydrogen 3.293 N/A VAL 216.A N ASP 212.A O no hydrogen 2.764 N/A HIS 217.A N ILE 213.A O no hydrogen 2.895 N/A HIS 217.A NE2 MET 233.A O no hydrogen 2.870 N/A GLN 218.A N PRO 214.A O no hydrogen 2.876 N/A LEU 219.A N VAL 215.A O no hydrogen 2.798 N/A LEU 220.A N VAL 216.A O no hydrogen 2.948 N/A THR 221.A N HIS 217.A O no hydrogen 3.034 N/A THR 221.A OG1 HIS 217.A O no hydrogen 2.897 N/A ARG 222.A N GLN 218.A O no hydrogen 3.036 N/A TYR 223.A N LEU 219.A O no hydrogen 2.971 N/A TYR 223.A OH GLU 316.A OE2 no hydrogen 2.448 N/A LEU 224.A N LEU 220.A O no hydrogen 3.120 N/A GLN 226.A NE2 TYR 223.A O no hydrogen 2.720 N/A PHE 227.A N LEU 224.A O no hydrogen 2.952 N/A HIS 228.A N LYS 349.A O no hydrogen 2.888 N/A THR 230.A N HIS 113.A O no hydrogen 2.948 N/A VAL 232.A N ASN 111.A O no hydrogen 2.847 N/A SER 234.A N GLU 237.A OE1 no hydrogen 2.851 N/A GLU 237.A N SER 234.A OG no hydrogen 3.164 N/A VAL 238.A N SER 234.A O no hydrogen 2.939 N/A GLU 239.A N GLN 235.A O no hydrogen 3.007 N/A HIS 240.A N GLU 236.A O no hydrogen 3.071 N/A HIS 240.A NE2 TRP 78.A O no hydrogen 2.609 N/A TRP 241.A N GLU 237.A O no hydrogen 2.908 N/A PHE 242.A N VAL 238.A O no hydrogen 3.027 N/A TYR 243.A N GLU 239.A O no hydrogen 2.937 N/A GLN 245.A N ILE 249.A O no hydrogen 2.864 N/A ILE 248.A N GLN 245.A O no hydrogen 2.971 N/A ILE 249.A N GLN 245.A O no hydrogen 3.020 N/A ASP 250.A N PHE 267.A O no hydrogen 2.908 N/A THR 251.A OG1 PHE 242.A O no hydrogen 2.591 N/A PHE 252.A N LEU 265.A O no hydrogen 2.917 N/A VAL 253.A N ARG 206.A O no hydrogen 2.903 N/A VAL 254.A N ASP 263.A O no hydrogen 2.732 N/A GLU 255.A N GLY 204.A O no hydrogen 2.842 N/A ASN 256.A N GLU 260.A O no hydrogen 2.838 N/A ASN 256.A ND2 GLN 287.A OE1 no hydrogen 3.666 N/A ASN 258.A ND2 GLU 260.A OE1 no hydrogen 3.556 N/A GLY 259.A N ASN 256.A O no hydrogen 2.767 N/A GLU 260.A N ASN 256.A OD1 no hydrogen 2.779 N/A THR 262.A N VAL 254.A O no hydrogen 2.926 N/A THR 262.A OG1 ASP 263.A OD2 no hydrogen 2.697 N/A PHE 264.A N VAL 284.A O no hydrogen 2.982 N/A LEU 265.A N PHE 252.A O no hydrogen 2.937 N/A SER 266.A N ASN 283.A OD1 no hydrogen 2.996 N/A SER 266.A OG TYR 282.A O no hydrogen 2.417 N/A PHE 267.A N ASP 250.A O no hydrogen 2.954 N/A TYR 268.A N TYR 279.A O no hydrogen 2.925 N/A THR 269.A N ILE 248.A O no hydrogen 2.730 N/A LEU 270.A N ALA 277.A O no hydrogen 3.045 N/A SER 272.A N LEU 275.A O no hydrogen 2.542 N/A THR 273.A N ARG 68.A O no hydrogen 2.470 N/A SER 274.A OG SER 272.A O no hydrogen 2.272 N/A LEU 275.A N SER 272.A O no hydrogen 2.843 N/A LYS 276.A N ASP 307.A OD2 no hydrogen 3.113 N/A LYS 276.A NZ ASN 247.A OD1 no hydrogen 3.499 N/A LYS 276.A NZ LYS 304.A O no hydrogen 3.101 N/A ALA 278.A N VAL 308.A O no hydrogen 2.994 N/A TYR 279.A N TYR 268.A O no hydrogen 2.866 N/A SER 280.A N ASN 310.A O no hydrogen 2.793 N/A PHE 281.A N SER 266.A O no hydrogen 2.896 N/A TYR 282.A N SER 266.A OG no hydrogen 2.853 N/A ASN 283.A ND2 SER 280.A OG no hydrogen 2.861 N/A VAL 284.A N PHE 264.A O no hydrogen 2.887 N/A HIS 285.A NE2 GLU 316.A OE2 no hydrogen 2.697 N/A THR 286.A N ASP 263.A OD1 no hydrogen 2.807 N/A THR 286.A OG1 THR 262.A O no hydrogen 2.726 N/A GLN 287.A N ASP 263.A OD1 no hydrogen 2.974 N/A THR 288.A N ASP 263.A OD1 no hydrogen 3.045 N/A THR 288.A N ASP 263.A OD2 no hydrogen 3.126 N/A THR 288.A OG1 ASP 263.A OD2 no hydrogen 2.510 N/A LEU 293.A N PRO 289.A O no hydrogen 2.968 N/A MET 294.A N LEU 290.A O no hydrogen 2.936 N/A SER 295.A N LEU 291.A O no hydrogen 3.056 N/A ASP 296.A N ASP 292.A O no hydrogen 2.923 N/A ALA 297.A N LEU 293.A O no hydrogen 2.917 N/A LEU 298.A N MET 294.A O no hydrogen 2.911 N/A VAL 299.A N SER 295.A O no hydrogen 3.122 N/A LEU 300.A N ASP 296.A O no hydrogen 2.787 N/A ALA 301.A N ALA 297.A O no hydrogen 2.948 N/A LYS 302.A N LEU 298.A O no hydrogen 2.975 N/A MET 303.A N VAL 299.A O no hydrogen 2.964 N/A LYS 304.A N LEU 300.A O no hydrogen 3.176 N/A LYS 304.A NZ ASP 250.A OD1 no hydrogen 3.068 N/A GLY 305.A N LYS 302.A O no hydrogen 2.844 N/A PHE 306.A N ALA 301.A O no hydrogen 2.988 N/A ASP 307.A N LYS 276.A O no hydrogen 2.947 N/A PHE 309.A N ARG 178.A O no hydrogen 2.959 N/A ASN 310.A N ALA 278.A O no hydrogen 2.717 N/A ALA 311.A N TRP 176.A O no hydrogen 2.955 N/A ASP 313.A N ARG 174.A O no hydrogen 3.283 N/A MET 315.A N VAL 350.A O no hydrogen 3.088 N/A ASN 317.A N LEU 314.A O no hydrogen 2.952 N/A ASN 317.A ND2 LEU 312.A O no hydrogen 2.955 N/A LYS 318.A NZ GLU 348.A OE1 no hydrogen 3.428 N/A THR 319.A N GLU 316.A O no hydrogen 3.026 N/A THR 319.A OG1 GLU 316.A O no hydrogen 2.958 N/A PHE 320.A N ASN 317.A O no hydrogen 3.131 N/A LEU 321.A N ASN 317.A O no hydrogen 3.229 N/A LEU 324.A N PHE 320.A O no hydrogen 3.077 N/A LYS 325.A N GLU 322.A O no hydrogen 2.825 N/A PHE 326.A N LEU 321.A O no hydrogen 2.873 N/A GLY 327.A N HIS 177.A O no hydrogen 2.699 N/A GLY 329.A N TYR 175.A O no hydrogen 2.733 N/A LEU 333.A N CYS 173.A O no hydrogen 2.715 N/A GLN 334.A N ALA 162.A O no hydrogen 2.948 N/A TYR 335.A N GLY 171.A O no hydrogen 2.917 N/A TYR 335.A OH LEU 352.A O no hydrogen 2.795 N/A TYR 336.A N TYR 160.A O no hydrogen 2.875 N/A TYR 336.A OH VAL 164.A O no hydrogen 2.807 N/A TYR 336.A OH LEU 166.A O no hydrogen 3.351 N/A TYR 338.A N ALA 158.A O no hydrogen 2.913 N/A TYR 338.A OH GLN 9.A OE1 no hydrogen 3.097 N/A ASN 339.A N PRO 10.A O no hydrogen 2.904 N/A ASN 339.A ND2 GLU 25.A O no hydrogen 2.936 N/A ASN 339.A ND2 PHE 156.A O no hydrogen 3.107 N/A LYS 341.A N GLY 22.A O no hydrogen 2.651 N/A LYS 341.A NZ GLU 16.A OE1 no hydrogen 3.057 N/A CYS 342.A SG PRO 343.A O no hydrogen 3.656 N/A MET 345.A N VAL 170.A O no hydrogen 2.895 N/A GLU 348.A N GLU 348.A OE1 no hydrogen 2.676 N/A LYS 349.A N GLY 346.A O no hydrogen 2.735 N/A VAL 350.A N ALA 347.A O no hydrogen 3.040 N/A GLY 351.A N LEU 229.A O no hydrogen 2.855 N/A VAL 353.A N TYR 282.A OH no hydrogen 3.080 N/A