Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ub5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 HIS 42.A O no hydrogen 3.032 N/A GLY 4.A N THR 1.A O no hydrogen 3.291 N/A ILE 6.A N ASN 3.A O no hydrogen 2.971 N/A THR 7.A N ASN 3.A O no hydrogen 3.113 N/A THR 7.A OG1 ASN 3.A O no hydrogen 3.448 N/A THR 7.A OG1 GLY 4.A O no hydrogen 3.129 N/A ASP 8.A N GLY 4.A O no hydrogen 2.700 N/A MET 9.A N GLY 5.A O no hydrogen 3.216 N/A LEU 10.A N ILE 6.A O no hydrogen 2.903 N/A THR 11.A N THR 7.A O no hydrogen 2.998 N/A THR 11.A OG1 THR 7.A O no hydrogen 2.682 N/A GLU 12.A N ASP 8.A O no hydrogen 3.102 N/A LEU 13.A N MET 9.A O no hydrogen 3.053 N/A ALA 14.A N LEU 10.A O no hydrogen 2.888 N/A ASN 15.A N THR 11.A O no hydrogen 2.969 N/A PHE 16.A N GLU 12.A O no hydrogen 2.973 N/A GLU 17.A N LEU 13.A O no hydrogen 2.888 N/A LYS 18.A N ALA 14.A O no hydrogen 2.893 N/A ASN 19.A N ASN 15.A O no hydrogen 2.798 N/A ASN 19.A ND2 ASN 89.A OD1 no hydrogen 3.282 N/A VAL 20.A N PHE 16.A O no hydrogen 2.853 N/A SER 21.A N PHE 16.A O no hydrogen 3.219 N/A SER 21.A OG GLU 17.A OE1 no hydrogen 2.949 N/A ALA 23.A N GLU 17.A O no hydrogen 2.947 N/A LYS 26.A N ALA 23.A O no hydrogen 3.049 N/A TYR 27.A N ALA 23.A O no hydrogen 3.104 N/A ASN 28.A N ILE 24.A O no hydrogen 2.889 N/A ALA 29.A N HIS 25.A O no hydrogen 2.849 N/A TYR 30.A N LYS 26.A O no hydrogen 2.943 N/A ARG 31.A N TYR 27.A O no hydrogen 3.024 N/A ARG 31.A NH1 ASP 258.A OD2 no hydrogen 3.142 N/A ARG 31.A NH2 ASP 258.A OD1 no hydrogen 3.146 N/A ARG 31.A NH2 ASP 258.A OD2 no hydrogen 2.903 N/A LYS 32.A N ASN 28.A O no hydrogen 2.999 N/A ALA 33.A N ALA 29.A O no hydrogen 3.085 N/A ALA 34.A N TYR 30.A O no hydrogen 2.904 N/A SER 35.A N ARG 31.A O no hydrogen 2.738 N/A SER 35.A OG GLU 310.A O no hydrogen 2.917 N/A VAL 36.A N LYS 32.A O no hydrogen 2.879 N/A ILE 37.A N ALA 33.A O no hydrogen 2.950 N/A ALA 38.A N ALA 34.A O no hydrogen 3.034 N/A LYS 39.A NZ GLU 310.A OE1 no hydrogen 3.381 N/A LYS 39.A NZ GLU 310.A OE2 no hydrogen 3.520 N/A TYR 40.A N ILE 37.A O no hydrogen 2.935 N/A TYR 40.A OH GLU 49.A OE2 no hydrogen 2.873 N/A ILE 44.A N ASN 3.A OD1 no hydrogen 2.891 N/A LYS 45.A N GLU 49.A OE1 no hydrogen 2.871 N/A GLY 47.A N ASP 65.A OD1 no hydrogen 3.087 N/A GLU 49.A N SER 46.A OG no hydrogen 2.894 N/A ALA 50.A N SER 46.A O no hydrogen 3.349 N/A LYS 51.A N GLY 47.A O no hydrogen 2.591 N/A LYS 52.A N GLU 49.A O no hydrogen 3.374 N/A LEU 53.A N ALA 50.A O no hydrogen 2.939 N/A VAL 56.A N LEU 53.A O no hydrogen 3.134 N/A ALA 61.A N GLY 57.A O no hydrogen 2.907 N/A GLU 62.A N THR 58.A O no hydrogen 3.027 N/A LYS 63.A N LYS 59.A O no hydrogen 3.216 N/A LYS 63.A NZ TYR 30.A OH no hydrogen 3.420 N/A ILE 64.A N ILE 60.A O no hydrogen 2.804 N/A ASP 65.A N ALA 61.A O no hydrogen 2.845 N/A GLU 66.A N GLU 62.A O no hydrogen 3.038 N/A PHE 67.A N LYS 63.A O no hydrogen 2.980 N/A LEU 68.A N ILE 64.A O no hydrogen 2.971 N/A ALA 69.A N ASP 65.A O no hydrogen 2.893 N/A THR 70.A N GLU 66.A O no hydrogen 2.743 N/A THR 70.A OG1 GLU 66.A O no hydrogen 2.658 N/A LYS 72.A N THR 70.A OG1 no hydrogen 3.417 N/A LYS 72.A NZ GLU 77.A OE1 no hydrogen 3.470 N/A ARG 74.A N GLU 66.A OE2 no hydrogen 2.753 N/A GLU 77.A N LEU 73.A O no hydrogen 3.102 N/A LYS 78.A N ARG 74.A O no hydrogen 2.935 N/A ILE 79.A N LYS 75.A O no hydrogen 3.018 N/A ARG 80.A N LEU 76.A O no hydrogen 2.744 N/A GLN 81.A N GLU 77.A O no hydrogen 3.145 N/A ASP 82.A N LYS 78.A O no hydrogen 3.129 N/A SER 85.A N ASP 82.A OD2 no hydrogen 2.608 N/A SER 85.A OG ASP 82.A OD2 no hydrogen 2.680 N/A SER 86.A N ASP 82.A O no hydrogen 2.985 N/A SER 86.A OG.A ILE 79.A O no hydrogen 3.198 N/A SER 86.A OG.A ARG 80.A O no hydrogen 2.551 N/A SER 86.A OG.A ASP 82.A O no hydrogen 3.265 N/A SER 86.A OG.B ASP 82.A O no hydrogen 2.969 N/A SER 86.A OG.B ASP 83.A O no hydrogen 3.213 N/A SER 87.A N ASP 83.A O no hydrogen 2.964 N/A SER 87.A OG ASP 83.A O no hydrogen 2.759 N/A ILE 88.A N THR 84.A O no hydrogen 2.873 N/A ASN 89.A N SER 85.A O no hydrogen 2.907 N/A PHE 90.A N SER 86.A O no hydrogen 2.931 N/A LEU 91.A N SER 87.A O no hydrogen 3.043 N/A THR 92.A N ILE 88.A O no hydrogen 3.192 N/A THR 92.A OG1 ASN 89.A O no hydrogen 2.879 N/A ARG 93.A N PHE 90.A O no hydrogen 2.957 N/A ARG 93.A NE GLU 138.A OE2 no hydrogen 2.826 N/A ARG 93.A NH2 GLU 138.A OE1 no hydrogen 2.710 N/A ARG 93.A NH2 GLU 138.A OE2 no hydrogen 3.408 N/A VAL 94.A N LEU 91.A O no hydrogen 2.786 N/A SER 95.A OG HIS 126.A NE2 no hydrogen 2.843 N/A ILE 97.A N VAL 94.A O no hydrogen 2.942 N/A ALA 102.A N GLY 98.A O no hydrogen 2.913 N/A ARG 103.A N PRO 99.A O no hydrogen 3.051 N/A ARG 103.A NH2 VAL 20.A O no hydrogen 2.730 N/A LYS 104.A N SER 100.A O no hydrogen 3.045 N/A PHE 105.A N ALA 101.A O no hydrogen 2.853 N/A VAL 106.A N ALA 102.A O no hydrogen 2.990 N/A ASP 107.A N ARG 103.A O no hydrogen 3.049 N/A GLU 108.A N PHE 105.A O no hydrogen 3.058 N/A GLY 109.A N VAL 106.A O no hydrogen 3.049 N/A ILE 110.A N PHE 105.A O no hydrogen 2.787 N/A LYS 111.A N ASP 115.A OD2 no hydrogen 3.195 N/A LYS 111.A NZ ASP 83.A OD2 no hydrogen 2.707 N/A THR 112.A N ASP 115.A OD2 no hydrogen 3.384 N/A ASP 115.A N THR 112.A OG1 no hydrogen 3.409 N/A LEU 116.A N THR 112.A O no hydrogen 3.241 N/A ARG 117.A N LEU 113.A O no hydrogen 3.358 N/A LYS 118.A N GLU 114.A O no hydrogen 3.146 N/A ASN 119.A N LEU 116.A O no hydrogen 3.004 N/A ASN 119.A ND2 ASP 115.A O no hydrogen 2.568 N/A LYS 122.A N ASN 119.A O no hydrogen 2.695 N/A LEU 123.A N GLU 120.A O no hydrogen 2.957 N/A ASN 124.A N GLN 127.A OE1 no hydrogen 2.952 N/A HIS 125.A NE2 THR 214.A O no hydrogen 2.732 N/A HIS 126.A NE2 SER 95.A OG no hydrogen 2.843 N/A GLN 127.A N ASN 124.A OD1 no hydrogen 2.879 N/A GLN 127.A NE2 GLY 96.A O no hydrogen 3.100 N/A ARG 128.A N ASN 124.A O no hydrogen 3.031 N/A ILE 129.A N HIS 125.A O no hydrogen 3.160 N/A GLY 130.A N HIS 126.A O no hydrogen 3.000 N/A LEU 131.A N GLN 127.A O no hydrogen 2.708 N/A LYS 132.A N ARG 128.A O no hydrogen 2.755 N/A LYS 132.A NZ TYR 133.A OH no hydrogen 3.505 N/A TYR 133.A N ILE 129.A O no hydrogen 3.086 N/A TYR 133.A OH ASP 213.A OD1 no hydrogen 2.637 N/A PHE 134.A N LEU 131.A O no hydrogen 3.102 N/A PHE 137.A N TYR 133.A O no hydrogen 2.749 N/A GLU 138.A N GLY 135.A O no hydrogen 2.930 N/A LYS 139.A N ASP 136.A O no hydrogen 3.040 N/A LYS 139.A NZ ASP 136.A OD1 no hydrogen 3.416 N/A ARG 140.A NE SER 178.A OG no hydrogen 3.347 N/A ARG 140.A NH2 SER 178.A OG no hydrogen 3.096 N/A ILE 141.A N SER 179.A O no hydrogen 2.895 N/A ARG 143.A N GLU 177.A O no hydrogen 2.944 N/A ARG 143.A NH1 PHE 172.A O no hydrogen 3.039 N/A ARG 143.A NH1 ALA 176.A O no hydrogen 2.829 N/A ARG 143.A NH2 PHE 172.A O no hydrogen 3.157 N/A GLU 145.A N PRO 142.A O no hydrogen 2.786 N/A MET 146.A N PRO 142.A O no hydrogen 3.038 N/A LEU 147.A N ARG 143.A O no hydrogen 2.750 N/A GLN 148.A N GLU 144.A O no hydrogen 3.383 N/A MET 149.A N GLU 145.A O no hydrogen 2.632 N/A GLN 150.A N MET 146.A O no hydrogen 2.608 N/A ASP 151.A N.A LEU 147.A O no hydrogen 2.940 N/A ASP 151.A N.A GLN 148.A O no hydrogen 2.907 N/A ASP 151.A N.B LEU 147.A O no hydrogen 2.938 N/A ASP 151.A N.B GLN 148.A O no hydrogen 2.904 N/A VAL 153.A N MET 149.A O no hydrogen 3.060 N/A ASN 155.A N ASP 151.A O.A no hydrogen 3.326 N/A ASN 155.A N ASP 151.A O.B no hydrogen 3.395 N/A GLU 156.A N ILE 152.A O no hydrogen 3.282 N/A VAL 157.A N VAL 153.A O no hydrogen 2.909 N/A LYS 158.A N LEU 154.A O no hydrogen 3.200 N/A LYS 159.A N ASN 155.A O no hydrogen 3.211 N/A LYS 159.A NZ GLU 156.A OE1 no hydrogen 3.417 N/A LYS 159.A NZ GLU 156.A OE2 no hydrogen 3.515 N/A VAL 160.A N VAL 157.A O no hydrogen 2.773 N/A ASP 161.A N VAL 157.A O no hydrogen 3.087 N/A GLU 163.A N ASP 161.A OD1 no hydrogen 2.690 N/A TYR 164.A N ASP 161.A O no hydrogen 3.282 N/A ILE 165.A N THR 187.A O no hydrogen 3.081 N/A THR 167.A N LEU 185.A O.A no hydrogen 2.855 N/A THR 167.A N LEU 185.A O.B no hydrogen 2.857 N/A THR 167.A OG1 TYR 247.A OH no hydrogen 2.818 N/A CYS 169.A N ASP 183.A O no hydrogen 2.801 N/A CYS 169.A SG THR 167.A O no hydrogen 3.470 N/A GLY 170.A N PHE 254.A O no hydrogen 2.853 N/A SER 171.A OG SER 179.A OG no hydrogen 2.805 N/A ARG 173.A N CYS 169.A O no hydrogen 3.409 N/A ARG 173.A NH1 THR 255.A OG1 no hydrogen 2.667 N/A ARG 173.A NH1 GLU 291.A OE1 no hydrogen 2.987 N/A ARG 173.A NH2 GLU 291.A OE2 no hydrogen 2.809 N/A ARG 174.A N GLY 170.A O no hydrogen 3.241 N/A ARG 174.A NE SER 309.A OG no hydrogen 3.099 N/A ARG 174.A NH1 THR 255.A O no hydrogen 2.884 N/A GLY 175.A N PHE 172.A O no hydrogen 2.904 N/A ALA 176.A N SER 171.A O no hydrogen 3.105 N/A SER 179.A N ILE 141.A O no hydrogen 2.829 N/A SER 179.A OG SER 171.A OG no hydrogen 2.805 N/A MET 182.A N ARG 236.A O no hydrogen 3.144 N/A VAL 184.A N ASP 238.A O no hydrogen 2.823 N/A LEU 185.A N.A THR 167.A O no hydrogen 2.748 N/A LEU 185.A N.B THR 167.A O no hydrogen 2.750 N/A LEU 186.A N ARG 240.A O no hydrogen 2.827 N/A THR 187.A N ILE 165.A O no hydrogen 3.188 N/A SER 190.A N HIS 188.A ND1 no hydrogen 2.993 N/A SER 190.A OG HIS 188.A ND1 no hydrogen 3.082 N/A PHE 191.A N HIS 188.A O no hydrogen 3.070 N/A THR 192.A N SER 195.A O no hydrogen 3.524 N/A THR 192.A OG1 GLU 194.A O no hydrogen 2.953 N/A SER 193.A N ASP 245.A OD2 no hydrogen 3.022 N/A SER 193.A OG ASP 245.A OD1 no hydrogen 2.801 N/A GLU 194.A N THR 192.A OG1 no hydrogen 3.059 N/A SER 195.A OG GLU 194.A O no hydrogen 2.598 N/A GLN 200.A N LYS 196.A O no hydrogen 3.035 N/A VAL 202.A N LEU 198.A O no hydrogen 2.856 N/A GLU 203.A N HIS 199.A O no hydrogen 2.737 N/A GLN 204.A N GLN 200.A O no hydrogen 3.160 N/A GLN 204.A NE2 GLU 156.A OE1 no hydrogen 2.721 N/A LEU 205.A N VAL 201.A O no hydrogen 3.121 N/A GLN 206.A N VAL 202.A O no hydrogen 2.930 N/A GLN 206.A N GLU 203.A O no hydrogen 2.860 N/A LYS 207.A N GLU 203.A O no hydrogen 2.903 N/A VAL 208.A N GLN 204.A O no hydrogen 3.299 N/A HIS 209.A N GLN 206.A O no hydrogen 2.916 N/A PHE 210.A N LEU 205.A O no hydrogen 3.134 N/A ILE 211.A N LEU 205.A O no hydrogen 2.978 N/A THR 212.A N VAL 225.A O no hydrogen 2.811 N/A THR 212.A OG1 ASP 213.A OD1 no hydrogen 2.700 N/A THR 212.A OG1 VAL 225.A O no hydrogen 3.513 N/A LEU 215.A N MET 223.A O.A no hydrogen 2.728 N/A LEU 215.A N MET 223.A O.B no hydrogen 2.742 N/A SER 216.A N MET 223.A O.A no hydrogen 2.893 N/A SER 216.A N MET 223.A O.B no hydrogen 2.944 N/A LYS 217.A NZ HIS 199.A ND1 no hydrogen 3.431 N/A GLY 218.A N LYS 221.A O no hydrogen 2.903 N/A PHE 222.A N ILE 239.A O no hydrogen 2.827 N/A MET 223.A N.A SER 216.A O no hydrogen 2.928 N/A MET 223.A N.B SER 216.A O no hydrogen 2.905 N/A GLY 224.A N ILE 237.A O no hydrogen 2.995 N/A VAL 225.A N ASP 213.A O no hydrogen 3.025 N/A CYS 226.A N ARG 235.A O no hydrogen 2.595 N/A CYS 226.A SG ARG 235.A O no hydrogen 3.916 N/A GLN 227.A N PHE 210.A O no hydrogen 3.009 N/A GLN 227.A NE2 GLU 231.A OE1 no hydrogen 3.135 N/A GLN 227.A NE2 TYR 232.A O no hydrogen 2.807 N/A HIS 234.A N ASP 136.A OD2 no hydrogen 3.310 N/A ARG 235.A N CYS 226.A O no hydrogen 2.749 N/A ARG 235.A NH2 GLU 145.A OE1 no hydrogen 2.810 N/A ARG 236.A NH1 GLY 224.A O no hydrogen 3.073 N/A ARG 236.A NH2 ASP 238.A OD1 no hydrogen 2.760 N/A ILE 237.A N GLY 224.A O no hydrogen 3.047 N/A ASP 238.A N MET 182.A O no hydrogen 2.964 N/A ILE 239.A N PHE 222.A O no hydrogen 2.772 N/A ARG 240.A N VAL 184.A O no hydrogen 2.907 N/A ARG 240.A NH1 GLU 277.A OE2 no hydrogen 3.115 N/A ARG 240.A NH2 GLU 277.A OE2 no hydrogen 2.851 N/A LEU 241.A N THR 220.A O no hydrogen 2.587 N/A ILE 242.A N LEU 186.A O no hydrogen 2.902 N/A LYS 244.A N PHE 191.A O no hydrogen 2.920 N/A GLN 246.A N PRO 243.A O no hydrogen 2.607 N/A TYR 247.A N LYS 244.A O no hydrogen 3.208 N/A TYR 247.A OH THR 167.A OG1 no hydrogen 2.818 N/A GLY 250.A N GLN 246.A O no hydrogen 3.027 N/A VAL 251.A N TYR 247.A O no hydrogen 2.656 N/A LEU 252.A N TYR 248.A O no hydrogen 2.940 N/A TYR 253.A N CYS 249.A O no hydrogen 2.915 N/A PHE 254.A N GLY 250.A O no hydrogen 2.809 N/A THR 255.A OG1 VAL 251.A O no hydrogen 2.648 N/A GLY 256.A N TYR 253.A O no hydrogen 3.184 N/A SER 257.A N ARG 308.A O no hydrogen 3.016 N/A SER 257.A OG ARG 308.A O no hydrogen 3.320 N/A SER 257.A OG GLU 310.A OXT no hydrogen 3.314 N/A PHE 260.A N SER 257.A OG no hydrogen 2.904 N/A ASN 261.A N SER 257.A O no hydrogen 2.814 N/A ASN 261.A ND2 TYR 253.A O no hydrogen 2.760 N/A LYS 262.A N ASP 258.A O no hydrogen 3.195 N/A ASN 263.A N ILE 259.A O no hydrogen 2.880 N/A MET 264.A N PHE 260.A O no hydrogen 2.754 N/A ARG 265.A N ASN 261.A O no hydrogen 2.957 N/A ALA 266.A N LYS 262.A O no hydrogen 3.264 N/A HIS 267.A N ASN 263.A O no hydrogen 3.020 N/A ALA 268.A N MET 264.A O no hydrogen 2.766 N/A LEU 269.A N ARG 265.A O no hydrogen 3.340 N/A GLU 270.A N ALA 266.A O no hydrogen 3.120 N/A LYS 271.A N HIS 267.A O no hydrogen 3.227 N/A LYS 271.A NZ ILE 298.A O no hydrogen 3.515 N/A GLY 272.A N LEU 269.A O no hydrogen 3.276 N/A PHE 273.A N ALA 268.A O no hydrogen 2.955 N/A THR 274.A N ARG 281.A O.A no hydrogen 2.959 N/A THR 274.A N ARG 281.A O.B no hydrogen 2.970 N/A ASN 276.A N THR 279.A O no hydrogen 3.131 N/A GLU 277.A N GLU 277.A OE1 no hydrogen 2.862 N/A TYR 278.A N ASN 276.A OD1 no hydrogen 2.781 N/A THR 279.A N ASN 276.A OD1 no hydrogen 2.706 N/A ARG 281.A N.A THR 274.A O no hydrogen 3.044 N/A ARG 281.A N.B THR 274.A O no hydrogen 3.037 N/A ARG 281.A NH1.A GLY 283.A O no hydrogen 3.157 N/A LEU 286.A N ILE 280.A O no hydrogen 2.969 N/A SER 290.A OG ASP 293.A OD1 no hydrogen 2.520 N/A LYS 292.A NZ ASP 296.A OD1 no hydrogen 2.972 N/A LYS 292.A NZ ASP 296.A OD2 no hydrogen 3.001 N/A ASP 293.A N SER 290.A OG no hydrogen 3.029 N/A ILE 294.A N GLU 291.A O no hydrogen 2.779 N/A ASP 296.A N LYS 292.A O no hydrogen 2.903 N/A TYR 297.A N ASP 293.A O no hydrogen 3.251 N/A TYR 297.A OH PRO 287.A O no hydrogen 2.885 N/A GLN 299.A N ASP 296.A O no hydrogen 2.930 N/A TRP 300.A N PHE 295.A O no hydrogen 3.280 N/A ARG 303.A NE ASP 307.A O no hydrogen 3.235 N/A ARG 303.A NH1 GLU 310.A OE2 no hydrogen 3.351 N/A ARG 303.A NH2 ASP 307.A O no hydrogen 2.870 N/A ARG 303.A NH2 GLU 310.A OE2 no hydrogen 2.754 N/A ASP 307.A N GLU 304.A O no hydrogen 2.604 N/A ARG 308.A NE ARG 303.A O no hydrogen 2.816 N/A ARG 308.A NH1 GLU 291.A OE1 no hydrogen 2.777 N/A ARG 308.A NH2 GLU 291.A OE1 no hydrogen 3.171 N/A ARG 308.A NH2 ARG 303.A O no hydrogen 3.419 N/A GLU 310.A N SER 257.A OG no hydrogen 3.068 N/A