Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3oqb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 THR 1.A O no hydrogen 2.660 N/A GLN 3.A N ARG 40.A O no hydrogen 3.000 N/A ARG 4.A NH1 ASN 78.A O no hydrogen 2.750 N/A ARG 4.A NH2 ASP 79.A OD1 no hydrogen 2.789 N/A THR 12.A OG1 LYS 53.A O no hydrogen 3.402 N/A LEU 16.A N ARG 14.A O no hydrogen 2.648 N/A ASN 17.A N ARG 14.A O no hydrogen 2.956 N/A HIS 19.A NE2 GLU 107.A OE2 no hydrogen 2.997 N/A ILE 21.A N LEU 16.A O no hydrogen 2.982 N/A ARG 22.A N ASN 17.A O no hydrogen 2.800 N/A SER 23.A OG GLN 18.A O no hydrogen 2.734 N/A ILE 24.A N HIS 19.A O no hydrogen 2.860 N/A VAL 25.A N LEU 20.A O no hydrogen 2.923 N/A ALA 26.A N ILE 21.A O no hydrogen 3.280 N/A ILE 27.A N SER 23.A O no hydrogen 2.937 N/A ARG 28.A N ILE 24.A O no hydrogen 2.754 N/A ASP 29.A N VAL 25.A O no hydrogen 3.030 N/A GLN 30.A N ALA 26.A O no hydrogen 3.200 N/A GLY 31.A N ARG 28.A O no hydrogen 3.031 N/A GLY 32.A N ILE 27.A O no hydrogen 2.816 N/A VAL 33.A N ILE 41.A O no hydrogen 3.027 N/A ARG 34.A NH1 GLN 30.A OE1 no hydrogen 3.041 N/A LYS 36.A N GLU 332.A OE1 no hydrogen 2.775 N/A GLY 38.A N LEU 35.A O no hydrogen 3.194 N/A ASP 39.A N ASN 37.A OD1 no hydrogen 2.711 N/A ARG 40.A NH2 GLN 30.A O no hydrogen 3.022 N/A ILE 41.A N VAL 33.A O no hydrogen 2.894 N/A ASP 43.A N LEU 5.A O no hydrogen 2.739 N/A ILE 45.A N LEU 7.A O no hydrogen 2.967 N/A LEU 46.A N ARG 65.A O no hydrogen 3.054 N/A GLY 48.A N THR 67.A O no hydrogen 3.324 N/A GLU 55.A N ALA 51.A O no hydrogen 3.011 N/A ALA 56.A N GLU 52.A O no hydrogen 3.465 N/A ALA 58.A N VAL 54.A O no hydrogen 3.220 N/A ARG 60.A N ALA 56.A O no hydrogen 2.759 N/A PHE 61.A N LEU 57.A O no hydrogen 3.295 N/A PHE 61.A N ALA 58.A O no hydrogen 3.260 N/A ASN 62.A N LYS 59.A O no hydrogen 3.337 N/A ILE 63.A N ALA 58.A O no hydrogen 2.697 N/A ARG 65.A NH1 ASP 79.A OD1 no hydrogen 3.500 N/A ARG 65.A NH2 ASP 43.A O no hydrogen 2.318 N/A THR 67.A N LEU 46.A O no hydrogen 3.013 N/A LEU 74.A N LEU 70.A O no hydrogen 2.721 N/A ALA 75.A N ASP 71.A O no hydrogen 3.112 N/A ASN 78.A N ASP 76.A OD1 no hydrogen 2.779 N/A THR 80.A N GLY 6.A O no hydrogen 2.763 N/A PHE 82.A N ILE 8.A O no hydrogen 2.913 N/A ALA 84.A N ASN 9.A O no hydrogen 2.885 N/A ALA 85.A N ASP 83.A OD1 no hydrogen 3.423 N/A GLN 88.A NE2 ASP 188.A O no hydrogen 3.332 N/A LEU 94.A N ARG 90.A O no hydrogen 2.903 N/A THR 95.A N PRO 91.A O no hydrogen 3.409 N/A THR 95.A OG1 PRO 91.A O no hydrogen 2.618 N/A GLN 96.A N GLY 92.A O no hydrogen 2.992 N/A ALA 97.A N LEU 93.A O no hydrogen 3.311 N/A ILE 98.A N LEU 94.A O no hydrogen 2.672 N/A ASN 99.A N THR 95.A O no hydrogen 3.036 N/A ALA 100.A N ALA 97.A O no hydrogen 3.267 N/A GLY 101.A N ILE 98.A O no hydrogen 2.700 N/A LYS 102.A N ALA 97.A O no hydrogen 2.978 N/A LYS 102.A NZ LEU 74.A O no hydrogen 3.423 N/A LYS 102.A NZ ASP 76.A O no hydrogen 2.805 N/A LYS 102.A NZ ASP 79.A O no hydrogen 2.968 N/A HIS 103.A N THR 80.A O no hydrogen 3.083 N/A VAL 104.A N LYS 130.A O no hydrogen 2.934 N/A TYR 105.A N PHE 81.A O no hydrogen 2.991 N/A CYS 106.A N GLY 132.A O no hydrogen 2.918 N/A CYS 106.A SG GLU 107.A O no hydrogen 3.408 N/A CYS 106.A SG THR 133.A OG1 no hydrogen 3.693 N/A GLU 107.A N ASP 83.A O no hydrogen 3.263 N/A LYS 108.A N GLU 107.A OE1 no hydrogen 2.687 N/A LYS 108.A NZ ASP 195.A O no hydrogen 2.840 N/A LYS 108.A NZ ASP 195.A OD1 no hydrogen 3.164 N/A ASN 113.A ND2 GLU 351.A OE2 no hydrogen 2.813 N/A PHE 114.A N GLU 351.A OE2 no hydrogen 2.989 N/A GLU 116.A N ASN 113.A OD1 no hydrogen 3.051 N/A ALA 117.A N ASN 113.A O no hydrogen 3.135 N/A LEU 118.A N PHE 114.A O no hydrogen 2.794 N/A GLU 119.A N GLU 115.A O no hydrogen 2.812 N/A VAL 120.A N GLU 116.A O no hydrogen 3.009 N/A VAL 121.A N ALA 117.A O no hydrogen 3.079 N/A LYS 122.A N LEU 118.A O no hydrogen 2.986 N/A LEU 123.A N GLU 119.A O no hydrogen 3.337 N/A ALA 124.A N VAL 120.A O no hydrogen 3.103 N/A ASN 125.A N VAL 121.A O no hydrogen 3.179 N/A SER 126.A N LYS 122.A O no hydrogen 2.913 N/A LYS 127.A N ALA 124.A O no hydrogen 2.934 N/A GLY 128.A N ASN 125.A O no hydrogen 3.183 N/A VAL 129.A N ALA 124.A O no hydrogen 3.430 N/A LYS 130.A N HIS 103.A ND1 no hydrogen 3.035 N/A HIS 131.A ND1 VAL 129.A O no hydrogen 3.059 N/A GLY 132.A N VAL 104.A O no hydrogen 2.809 N/A THR 133.A N PHE 338.A O no hydrogen 3.299 N/A THR 133.A OG1 CYS 106.A O no hydrogen 2.535 N/A THR 133.A OG1 GLU 107.A O no hydrogen 3.384 N/A VAL 134.A N CYS 106.A O no hydrogen 3.023 N/A GLN 135.A N GLN 323.A OE1 no hydrogen 2.761 N/A GLN 135.A NE2 VAL 134.A O no hydrogen 3.163 N/A LYS 137.A N TYR 201.A OH no hydrogen 2.876 N/A PHE 139.A N ASP 136.A O no hydrogen 2.903 N/A LEU 140.A N LYS 137.A O no hydrogen 3.151 N/A GLY 142.A N LEU 282.A O no hydrogen 2.966 N/A LYS 144.A N LEU 140.A O no hydrogen 2.946 N/A LYS 144.A NZ GLU 322.A OE2 no hydrogen 3.512 N/A LYS 145.A N PRO 141.A O no hydrogen 2.948 N/A LYS 145.A NZ SER 283.A O no hydrogen 3.020 N/A LYS 145.A NZ ASP 312.A OD2 no hydrogen 3.409 N/A LYS 145.A NZ TYR 316.A OH no hydrogen 3.509 N/A ILE 146.A N GLY 142.A O no hydrogen 3.241 N/A ALA 147.A N LEU 143.A O no hydrogen 3.122 N/A PHE 148.A N LYS 144.A O no hydrogen 2.864 N/A LEU 149.A N LYS 145.A O no hydrogen 2.688 N/A ARG 150.A N ILE 146.A O no hydrogen 2.828 N/A ASP 151.A N ALA 147.A O no hydrogen 2.795 N/A SER 152.A N PHE 148.A O no hydrogen 3.036 N/A SER 152.A OG PHE 148.A O no hydrogen 2.929 N/A SER 152.A OG LEU 149.A O no hydrogen 3.060 N/A GLY 153.A N ARG 150.A O no hydrogen 3.111 N/A PHE 154.A N LEU 149.A O no hydrogen 3.121 N/A GLY 156.A N GLY 153.A O no hydrogen 3.333 N/A LEU 159.A N ASP 272.A O no hydrogen 2.731 N/A SER 160.A N ASP 272.A O no hydrogen 3.366 N/A VAL 161.A N ILE 251.A O no hydrogen 3.110 N/A ARG 162.A N GLN 270.A O no hydrogen 2.840 N/A GLY 163.A N HIS 253.A O no hydrogen 2.822 N/A GLU 164.A N THR 268.A O no hydrogen 2.871 N/A PHE 165.A N ASN 255.A O no hydrogen 2.888 N/A GLY 166.A N LEU 266.A O no hydrogen 3.082 N/A TRP 168.A NE1 GLU 171.A OE1 no hydrogen 3.381 N/A VAL 169.A N TRP 257.A O no hydrogen 2.789 N/A PHE 170.A N GLN 178.A OE1 no hydrogen 3.016 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 3.062 N/A GLN 178.A N GLN 178.A OE1 no hydrogen 2.961 N/A GLN 178.A NE2 TRP 168.A O no hydrogen 3.075 N/A ARG 179.A NH1 TYR 184.A OH no hydrogen 3.311 N/A ARG 179.A NH2 ASN 183.A OD1 no hydrogen 3.359 N/A SER 181.A N GLU 227.A OE2 no hydrogen 2.966 N/A SER 181.A OG GLU 227.A OE1 no hydrogen 2.731 N/A SER 181.A OG GLU 227.A OE2 no hydrogen 3.477 N/A ASN 183.A N PRO 180.A O no hydrogen 3.375 N/A ASN 183.A ND2 PRO 180.A O no hydrogen 3.258 N/A TYR 184.A N SER 181.A O no hydrogen 3.036 N/A ARG 185.A N TRP 182.A O no hydrogen 3.317 N/A ARG 185.A NE ASP 188.A OD2 no hydrogen 2.816 N/A ARG 185.A NH1 SER 181.A OG no hydrogen 3.310 N/A ARG 185.A NH2 SER 181.A OG no hydrogen 3.412 N/A ASP 186.A N THR 235.A OG1 no hydrogen 2.520 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.495 N/A ASP 188.A N ARG 185.A O no hydrogen 3.355 N/A GLY 189.A N ASP 186.A O no hydrogen 3.039 N/A GLY 190.A N ARG 185.A O no hydrogen 2.826 N/A GLY 191.A N ASN 183.A O no hydrogen 2.984 N/A ILE 192.A N ASP 237.A O no hydrogen 2.963 N/A ILE 192.A N ASP 237.A OD2 no hydrogen 3.038 N/A ILE 193.A N ASP 237.A OD2 no hydrogen 2.995 N/A ASP 195.A N GLY 191.A O no hydrogen 3.154 N/A HIS 198.A ND1 TYR 201.A OH no hydrogen 2.818 N/A ARG 200.A N VAL 196.A O no hydrogen 2.914 N/A ARG 200.A NE ASP 204.A OD1 no hydrogen 3.315 N/A ARG 200.A NE ASP 204.A OD2 no hydrogen 2.776 N/A ARG 200.A NH1 LYS 345.A O no hydrogen 2.978 N/A ARG 200.A NH1 GLN 348.A OE1 no hydrogen 3.398 N/A TYR 201.A OH HIS 198.A ND1 no hydrogen 2.818 N/A VAL 202.A N HIS 198.A O no hydrogen 3.375 N/A LEU 203.A N TRP 199.A O no hydrogen 2.902 N/A ASP 204.A N ARG 200.A O no hydrogen 2.986 N/A ASN 205.A N TYR 201.A O no hydrogen 2.804 N/A ASN 205.A ND2 TYR 201.A O no hydrogen 3.021 N/A LEU 206.A N VAL 202.A O no hydrogen 2.931 N/A PHE 207.A N LEU 203.A O no hydrogen 2.819 N/A GLY 208.A N LEU 203.A O no hydrogen 2.855 N/A ASN 209.A ND2 GLU 247.A OE1 no hydrogen 3.469 N/A VAL 210.A N ASP 204.A OD1 no hydrogen 2.866 N/A GLN 211.A N GLN 245.A O no hydrogen 2.925 N/A VAL 213.A N ILE 363.A O no hydrogen 3.105 N/A VAL 214.A N THR 243.A O no hydrogen 3.046 N/A CYS 215.A SG ILE 216.A O no hydrogen 3.776 N/A ILE 216.A N TYR 241.A O no hydrogen 3.450 N/A ASN 218.A N SER 239.A O no hydrogen 3.195 N/A ASN 218.A ND2 ASP 220.A OD1 no hydrogen 2.742 N/A THR 219.A OG1 ALA 236.A O no hydrogen 2.891 N/A ASP 220.A N ASP 238.A OD2 no hydrogen 2.736 N/A ILE 221.A N ASP 238.A OD1 no hydrogen 3.056 N/A ARG 224.A N TYR 232.A O no hydrogen 3.256 N/A ARG 224.A NH1 ASP 238.A OD1 no hydrogen 3.446 N/A ARG 224.A NH2 VAL 169.A O no hydrogen 3.135 N/A PHE 225.A N GLU 171.A O no hydrogen 2.700 N/A ASP 226.A N LYS 230.A O no hydrogen 2.748 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.760 N/A GLY 229.A N ASP 226.A O no hydrogen 2.895 N/A TYR 232.A N ARG 224.A O no hydrogen 3.006 N/A ALA 234.A N PRO 222.A O no hydrogen 2.617 N/A THR 235.A N TYR 184.A O no hydrogen 2.884 N/A THR 235.A OG1 GLU 187.A OE1 no hydrogen 2.597 N/A ALA 236.A N TYR 184.A O no hydrogen 3.090 N/A ASP 238.A N ASN 218.A O no hydrogen 3.128 N/A SER 239.A N ASN 218.A O no hydrogen 3.467 N/A SER 239.A OG ASP 220.A OD2 no hydrogen 2.832 N/A SER 239.A OG SER 256.A OG no hydrogen 2.771 N/A TYR 241.A N ILE 216.A O no hydrogen 3.062 N/A ALA 242.A N ILE 254.A O no hydrogen 2.929 N/A THR 243.A N VAL 214.A O no hydrogen 2.852 N/A THR 243.A OG1 HIS 253.A ND1 no hydrogen 2.804 N/A PHE 244.A N ALA 252.A O no hydrogen 2.610 N/A GLN 245.A N SER 212.A O no hydrogen 3.072 N/A GLN 245.A NE2 SER 212.A OG no hydrogen 3.295 N/A LEU 246.A N VAL 250.A O no hydrogen 2.821 N/A GLU 247.A N ASN 209.A O no hydrogen 2.823 N/A GLY 249.A N LEU 246.A O no hydrogen 3.035 N/A VAL 250.A N LEU 246.A O no hydrogen 3.413 N/A ALA 252.A N PHE 244.A O no hydrogen 2.898 N/A HIS 253.A N VAL 161.A O no hydrogen 2.860 N/A HIS 253.A ND1 THR 243.A OG1 no hydrogen 2.804 N/A HIS 253.A NE2 ASN 255.A OD1 no hydrogen 2.462 N/A ILE 254.A N ALA 242.A O no hydrogen 2.720 N/A ASN 255.A N GLY 163.A O no hydrogen 2.946 N/A ASN 255.A ND2 GLU 164.A OE1 no hydrogen 3.133 N/A SER 256.A OG SER 239.A OG no hydrogen 2.771 N/A TRP 257.A N ASP 238.A O no hydrogen 2.811 N/A VAL 258.A N SER 256.A OG no hydrogen 2.563 N/A ARG 263.A NH1 GLY 166.A O no hydrogen 2.820 N/A ARG 263.A NH2 GLY 166.A O no hydrogen 3.041 N/A ARG 263.A NH2 ASP 265.A O no hydrogen 2.700 N/A LEU 266.A N ASP 265.A OD1 no hydrogen 2.781 N/A THR 268.A OG1 VAL 267.A O no hydrogen 3.222 N/A PHE 269.A N ALA 280.A O no hydrogen 2.871 N/A GLN 270.A N ARG 162.A O no hydrogen 2.775 N/A GLN 270.A NE2 ASP 272.A OD1 no hydrogen 3.413 N/A GLN 270.A NE2 ASP 272.A OD2 no hydrogen 3.130 N/A VAL 271.A N ALA 278.A O no hydrogen 2.856 N/A ASP 272.A N SER 160.A O no hydrogen 3.001 N/A GLY 273.A N GLY 276.A O no hydrogen 2.949 N/A THR 274.A N ARG 157.A O no hydrogen 2.796 N/A HIS 275.A N PHE 155.A O no hydrogen 2.853 N/A SER 277.A N GLN 287.A O no hydrogen 3.066 N/A SER 277.A OG ASP 272.A OD2 no hydrogen 2.702 N/A ALA 278.A N VAL 271.A O no hydrogen 2.819 N/A ALA 280.A N PHE 269.A O no hydrogen 2.843 N/A GLY 281.A N ASP 284.A O no hydrogen 2.919 N/A LEU 282.A N ASP 265.A OD2 no hydrogen 3.067 N/A CYS 285.A SG VAL 279.A O no hydrogen 3.948 N/A GLN 287.A N SER 277.A O no hydrogen 2.956 N/A GLN 287.A NE2 THR 292.A OG1 no hydrogen 3.108 N/A ARG 289.A N HIS 275.A O no hydrogen 2.898 N/A GLN 290.A N GLN 290.A OE1 no hydrogen 2.865 N/A ALA 291.A N ALA 288.A O no hydrogen 2.882 N/A THR 292.A N ARG 289.A O no hydrogen 3.244 N/A THR 292.A OG1 ARG 289.A O no hydrogen 3.274 N/A HIS 301.A NE2 ASP 306.A OD1 no hydrogen 3.256 N/A GLY 305.A N ASP 302.A O no hydrogen 3.231 N/A ASP 306.A N PHE 303.A O no hydrogen 3.025 N/A GLN 308.A N ILE 286.A O no hydrogen 2.793 N/A LYS 309.A NZ ASP 284.A OD2 no hydrogen 3.102 N/A LEU 310.A N CYS 285.A O no hydrogen 2.830 N/A ASN 318.A N ASP 317.A OD1 no hydrogen 2.756 N/A ASN 318.A ND2 GLN 18.A OE1 no hydrogen 3.227 N/A PHE 320.A N ASN 318.A OD1 no hydrogen 3.054 N/A LYS 321.A N ASN 318.A OD1 no hydrogen 3.115 N/A LYS 321.A NZ GLU 325.A OE1 no hydrogen 3.540 N/A GLU 322.A N ASN 318.A O no hydrogen 3.060 N/A GLN 323.A NE2 THR 133.A O no hydrogen 2.625 N/A TRP 324.A N PHE 320.A O no hydrogen 2.974 N/A TRP 324.A NE1 HIS 19.A ND1 no hydrogen 2.848 N/A GLU 325.A N LYS 321.A O no hydrogen 2.919 N/A ILE 327.A N TRP 324.A O no hydrogen 2.928 N/A ARG 328.A N GLU 325.A O no hydrogen 3.211 N/A HIS 329.A ND1 ALA 334.A O no hydrogen 2.900 N/A VAL 330.A N PHE 326.A O no hydrogen 2.985 N/A TYR 331.A N ILE 327.A O no hydrogen 2.795 N/A GLU 332.A N ARG 328.A O no hydrogen 2.809 N/A ALA 334.A N ARG 328.A O no hydrogen 3.058 N/A TYR 336.A OH PHE 338.A O no hydrogen 3.105 N/A LYS 337.A NZ GLU 342.A OE1 no hydrogen 3.514 N/A THR 339.A N LYS 337.A O no hydrogen 2.830 N/A LEU 341.A N THR 339.A OG1 no hydrogen 3.123 N/A GLU 342.A N THR 339.A O no hydrogen 2.937 N/A ALA 344.A N LEU 340.A O no hydrogen 3.159 N/A LYS 345.A N LEU 341.A O no hydrogen 3.062 N/A GLY 346.A N GLU 342.A O no hydrogen 3.174 N/A VAL 347.A N GLY 343.A O no hydrogen 3.230 N/A GLN 348.A N ALA 344.A O no hydrogen 2.770 N/A GLN 348.A NE2 ALA 366.A O no hydrogen 3.163 N/A LEU 349.A N LYS 345.A O no hydrogen 2.880 N/A ALA 350.A N GLY 346.A O no hydrogen 3.020 N/A GLU 351.A N VAL 347.A O no hydrogen 3.096 N/A CYS 352.A N GLN 348.A O no hydrogen 2.872 N/A CYS 352.A SG GLN 348.A O no hydrogen 3.268 N/A ALA 353.A N LEU 349.A O no hydrogen 2.888 N/A LEU 354.A N ALA 350.A O no hydrogen 3.150 N/A LYS 355.A N GLU 351.A O no hydrogen 3.048 N/A SER 356.A N CYS 352.A O no hydrogen 2.989 N/A SER 356.A OG CYS 352.A O no hydrogen 3.143 N/A SER 356.A OG ALA 353.A O no hydrogen 2.504 N/A TRP 357.A N ALA 353.A O no hydrogen 2.902 N/A LYS 358.A N LEU 354.A O no hydrogen 2.966 N/A GLU 359.A N LYS 355.A O no hydrogen 2.850 N/A ARG 361.A NE GLU 359.A OE1 no hydrogen 3.092 N/A ARG 361.A NH2 GLU 359.A OE1 no hydrogen 3.038 N/A ILE 363.A N VAL 213.A O no hydrogen 2.943 N/A VAL 365.A N GLN 211.A O no hydrogen 2.611 N/A