Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uku_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 7.A ND2 GLU 12.A OE1 no hydrogen 2.251 N/A ASN 7.A ND2 HIS 111.A ND1 no hydrogen 3.441 N/A ASN 8.A N GLY 114.A O no hydrogen 3.029 N/A ASN 8.A ND2 ASP 37.A OD2 no hydrogen 2.435 N/A ARG 9.A NE GLU 5.A OE1 no hydrogen 2.358 N/A ARG 9.A NE GLU 5.A OE2 no hydrogen 3.014 N/A ARG 9.A NH2 GLU 5.A OE2 no hydrogen 2.513 N/A ILE 11.A N ASN 8.A O no hydrogen 2.962 N/A ILE 11.A N ASN 8.A OD1 no hydrogen 3.242 N/A GLU 13.A N ARG 9.A O no hydrogen 3.040 N/A THR 14.A N ILE 10.A O no hydrogen 3.004 N/A THR 14.A OG1 ILE 10.A O no hydrogen 2.210 N/A LEU 15.A N ILE 11.A O no hydrogen 3.069 N/A ALA 16.A N GLU 12.A O no hydrogen 2.939 N/A LYS 18.A N LEU 15.A O no hydrogen 2.540 N/A LYS 18.A NZ GLU 29.A O no hydrogen 3.540 N/A PHE 19.A N LEU 15.A O no hydrogen 2.807 N/A GLU 20.A N ALA 16.A O no hydrogen 3.075 N/A ASN 21.A N LEU 17.A O no hydrogen 3.420 N/A ASN 21.A ND2 LEU 17.A O no hydrogen 3.110 N/A ALA 22.A N LYS 18.A O no hydrogen 2.963 N/A ALA 23.A N PHE 19.A O no hydrogen 2.782 N/A ALA 24.A N GLU 20.A O no hydrogen 3.085 N/A GLY 25.A N ALA 22.A O no hydrogen 3.163 N/A ASN 26.A N ASN 21.A O no hydrogen 3.081 N/A ASN 26.A ND2 ASN 21.A OD1 no hydrogen 2.578 N/A VAL 31.A N ASN 47.A OD1 no hydrogen 3.251 N/A VAL 33.A N ILE 45.A O no hydrogen 2.885 N/A ASP 37.A N VAL 41.A O no hydrogen 3.384 N/A LEU 42.A N SER 60.A O no hydrogen 3.337 N/A TYR 43.A N PHE 35.A O no hydrogen 2.912 N/A TYR 43.A OH ASP 37.A OD2 no hydrogen 3.324 N/A HIS 44.A N SER 58.A O no hydrogen 2.932 N/A HIS 44.A ND1 GLU 88.A OE2 no hydrogen 2.779 N/A HIS 44.A NE2 GLU 32.A OE2 no hydrogen 2.374 N/A ILE 45.A N VAL 33.A O no hydrogen 3.033 N/A SER 46.A N MET 56.A O no hydrogen 3.061 N/A ASN 47.A ND2 LYS 54.A O no hydrogen 2.747 N/A GLY 50.A N ASN 47.A O no hydrogen 2.978 N/A ASP 51.A N PRO 48.A O no hydrogen 2.868 N/A THR 53.A N ASP 51.A OD2 no hydrogen 3.454 N/A THR 53.A OG1 ASP 51.A OD2 no hydrogen 2.746 N/A LYS 54.A N ASP 51.A O no hydrogen 2.846 N/A LYS 54.A NZ ASP 98.A OD1 no hydrogen 2.765 N/A LYS 54.A NZ ASP 98.A OD2 no hydrogen 3.281 N/A VAL 55.A N TYR 97.A O no hydrogen 3.319 N/A MET 56.A N SER 46.A O no hydrogen 2.667 N/A VAL 57.A N LEU 95.A O no hydrogen 2.960 N/A SER 58.A N HIS 44.A O no hydrogen 2.937 N/A SER 58.A OG GLU 88.A OE1 no hydrogen 2.364 N/A ILE 59.A N VAL 93.A O no hydrogen 2.941 N/A SER 60.A N LEU 42.A O no hydrogen 2.826 N/A SER 60.A OG GLY 90.A O no hydrogen 3.040 N/A LEU 61.A N ASN 92.A OD1 no hydrogen 3.320 N/A TYR 64.A N LEU 61.A O no hydrogen 2.598 N/A GLN 68.A N TYR 64.A O no hydrogen 2.677 N/A GLN 68.A NE2 ASP 73.A OD2 no hydrogen 2.441 N/A ALA 69.A N LYS 65.A O no hydrogen 2.913 N/A HIS 70.A N LEU 67.A O no hydrogen 2.753 N/A GLY 71.A N GLN 68.A O no hydrogen 3.476 N/A ALA 72.A N LEU 67.A O no hydrogen 3.442 N/A LEU 75.A N GLY 71.A O no hydrogen 2.895 N/A LEU 76.A N ALA 72.A O no hydrogen 2.781 N/A LYS 77.A N ASP 73.A O no hydrogen 3.243 N/A LYS 77.A N GLU 74.A O no hydrogen 2.983 N/A LYS 77.A NZ GLY 81.A O no hydrogen 2.856 N/A ARG 78.A N GLU 74.A O no hydrogen 3.325 N/A ARG 78.A NH2 GLU 126.A OE1 no hydrogen 3.424 N/A VAL 79.A N LEU 75.A O no hydrogen 3.185 N/A TYR 80.A N LEU 76.A O no hydrogen 3.001 N/A TYR 80.A OH GLN 112.A O no hydrogen 2.493 N/A GLY 81.A N LYS 77.A O no hydrogen 2.622 N/A TYR 83.A N TYR 80.A O no hydrogen 2.732 N/A LEU 84.A N GLY 81.A O no hydrogen 3.324 N/A VAL 85.A N SER 94.A O no hydrogen 3.238 N/A GLU 88.A N SER 94.A OG no hydrogen 3.030 N/A TYR 91.A N GLU 88.A O no hydrogen 2.907 N/A ASN 92.A N ILE 59.A O no hydrogen 2.963 N/A VAL 93.A N ILE 59.A O no hydrogen 3.436 N/A LEU 95.A N VAL 57.A O no hydrogen 3.124 N/A LEU 96.A N TYR 83.A O no hydrogen 2.797 N/A TYR 97.A N VAL 55.A O no hydrogen 3.202 N/A LEU 99.A N THR 53.A O no hydrogen 2.880 N/A GLU 100.A N ASP 98.A OD1 no hydrogen 3.043 N/A ASN 101.A N ASP 98.A O no hydrogen 3.138 N/A LYS 106.A NZ PRO 103.A O no hydrogen 3.055 N/A ILE 109.A N LYS 106.A O no hydrogen 2.905 N/A VAL 110.A N LYS 106.A O no hydrogen 3.044 N/A HIS 111.A N ASP 107.A O no hydrogen 3.390 N/A GLN 112.A N SER 108.A O no hydrogen 3.096 N/A ALA 113.A N ILE 109.A O no hydrogen 2.956 N/A ALA 113.A N VAL 110.A O no hydrogen 3.268 N/A GLY 114.A N VAL 110.A O no hydrogen 3.227 N/A MET 115.A N GLN 112.A O no hydrogen 3.258 N/A LEU 116.A N ALA 113.A O no hydrogen 2.927 N/A LYS 117.A NZ ASP 37.A OD1 no hydrogen 3.439 N/A LYS 117.A NZ PHE 38.A O no hydrogen 3.076 N/A ARG 118.A NH1 ASN 119.A OD1 no hydrogen 3.123 N/A ARG 118.A NH2 ASP 233.A OD1 no hydrogen 3.273 N/A ASN 119.A N MET 115.A O no hydrogen 2.802 N/A ASN 119.A ND2 TYR 80.A OH no hydrogen 2.371 N/A ASN 119.A ND2 GLN 112.A OE1 no hydrogen 2.869 N/A CYS 120.A N LEU 116.A O no hydrogen 3.299 N/A CYS 120.A SG LEU 116.A O no hydrogen 3.646 N/A PHE 121.A N ARG 118.A O no hydrogen 3.024 N/A ALA 122.A N ARG 118.A O no hydrogen 3.085 N/A SER 123.A OG HIS 70.A O no hydrogen 2.904 N/A GLU 126.A N ALA 122.A O no hydrogen 2.995 N/A LYS 127.A N SER 123.A O no hydrogen 2.880 N/A LYS 127.A NZ HIS 70.A ND1 no hydrogen 2.838 N/A TYR 128.A OH ASN 140.A O no hydrogen 3.293 N/A PHE 129.A N PHE 125.A O no hydrogen 2.936 N/A GLN 130.A N GLU 126.A O no hydrogen 3.282 N/A GLN 130.A N LYS 127.A O no hydrogen 2.774 N/A PHE 131.A N LYS 127.A O no hydrogen 3.315 N/A GLN 132.A N TYR 128.A O no hydrogen 3.440 N/A GLN 132.A NE2 LYS 158.A O no hydrogen 3.261 N/A GLU 133.A N PHE 129.A O no hydrogen 3.026 N/A GLU 134.A N PHE 131.A O no hydrogen 3.099 N/A GLY 135.A N PHE 131.A O no hydrogen 2.785 N/A GLY 135.A N GLN 132.A O no hydrogen 3.065 N/A ALA 142.A N VAL 154.A O no hydrogen 3.023 N/A ILE 144.A N MET 152.A O no hydrogen 3.210 N/A HIS 145.A N GLU 66.A OE1 no hydrogen 2.516 N/A HIS 145.A ND1 GLU 66.A OE1 no hydrogen 3.114 N/A TYR 146.A OH GLU 150.A OE1 no hydrogen 3.167 N/A GLU 150.A N ARG 147.A O no hydrogen 2.886 N/A MET 152.A N ILE 144.A O no hydrogen 2.955 N/A TYR 153.A N VAL 164.A O no hydrogen 2.837 N/A VAL 154.A N ALA 142.A O no hydrogen 3.306 N/A GLU 155.A N THR 162.A O no hydrogen 3.243 N/A SER 156.A OG TYR 128.A O no hydrogen 3.529 N/A SER 156.A OG LYS 157.A O no hydrogen 3.326 N/A LYS 157.A NZ GLU 155.A OE2 no hydrogen 2.632 N/A VAL 161.A N LEU 222.A O no hydrogen 2.978 N/A THR 162.A N GLU 155.A O no hydrogen 3.082 N/A THR 162.A OG1 GLU 155.A O no hydrogen 3.415 N/A VAL 163.A N PHE 220.A O no hydrogen 3.359 N/A PHE 165.A N ILE 218.A O no hydrogen 2.930 N/A THR 167.A OG1 GLU 150.A OE1 no hydrogen 2.996 N/A THR 167.A OG1 HIS 247.A NE2 no hydrogen 3.022 N/A PHE 169.A N ASN 214.A O no hydrogen 3.020 N/A LYS 170.A NZ ASP 149.A OD2 no hydrogen 2.921 N/A VAL 176.A N ASP 173.A O no hydrogen 2.566 N/A GLY 178.A N ASP 174.A O no hydrogen 2.857 N/A LYS 179.A N VAL 175.A O no hydrogen 3.137 N/A VAL 180.A N ILE 177.A O no hydrogen 2.673 N/A PHE 181.A N ILE 177.A O no hydrogen 3.415 N/A MET 182.A N GLY 178.A O no hydrogen 3.023 N/A GLN 183.A N LYS 179.A O no hydrogen 3.048 N/A GLN 183.A N VAL 180.A O no hydrogen 3.059 N/A GLN 183.A NE2 GLN 183.A O no hydrogen 3.565 N/A GLN 183.A NE2 GLU 187.A OE2 no hydrogen 3.334 N/A GLU 184.A N VAL 180.A O no hydrogen 3.358 N/A PHE 185.A N PHE 181.A O no hydrogen 3.252 N/A LYS 186.A N MET 182.A O no hydrogen 3.029 N/A GLU 187.A N GLU 184.A O no hydrogen 3.108 N/A GLY 188.A N PHE 185.A O no hydrogen 2.913 N/A ARG 190.A N GLU 187.A O no hydrogen 3.133 N/A ALA 191.A N GLY 188.A O no hydrogen 2.981 N/A SER 192.A N GLY 188.A O no hydrogen 3.173 N/A LEU 199.A N THR 219.A O no hydrogen 3.156 N/A SER 201.A OG GLU 204.A O no hydrogen 2.555 N/A ARG 203.A N ILE 215.A O no hydrogen 2.700 N/A GLU 204.A N HIS 202.A O no hydrogen 2.360 N/A GLY 212.A N ARG 203.A O no hydrogen 3.068 N/A ASN 214.A ND2 PHE 169.A O no hydrogen 2.833 N/A ASN 214.A ND2 ASP 172.A OD1 no hydrogen 3.400 N/A ILE 215.A N GLY 212.A O no hydrogen 3.181 N/A GLY 216.A N THR 167.A O no hydrogen 3.101 N/A TYR 217.A N SER 201.A O no hydrogen 2.840 N/A TYR 217.A OH ALA 210.A O no hydrogen 2.570 N/A THR 219.A N LEU 199.A O no hydrogen 2.936 N/A LEU 222.A N VAL 161.A O no hydrogen 2.769 N/A HIS 226.A N PHE 223.A O no hydrogen 2.495 N/A THR 227.A N PHE 223.A O no hydrogen 3.033 N/A THR 227.A OG1 PRO 224.A O no hydrogen 3.306 N/A ASN 228.A N PRO 224.A O no hydrogen 2.806 N/A ASN 228.A ND2 PRO 224.A O no hydrogen 3.250 N/A ALA 231.A N ASN 228.A O no hydrogen 3.232 N/A ALA 231.A N ASN 228.A OD1 no hydrogen 2.959 N/A ASN 234.A N ALA 231.A O no hydrogen 3.163 N/A THR 235.A OG1 HIS 226.A O no hydrogen 2.758 N/A ILE 236.A N ARG 232.A O no hydrogen 3.020 N/A ASN 237.A N ASP 233.A O no hydrogen 3.045 N/A LEU 238.A N ASN 234.A O no hydrogen 3.052 N/A ILE 239.A N THR 235.A O no hydrogen 3.068 N/A HIS 240.A N ILE 236.A O no hydrogen 3.176 N/A HIS 240.A ND1 ILE 236.A O no hydrogen 3.024 N/A THR 241.A N LEU 238.A O no hydrogen 2.552 N/A THR 241.A OG1 ASN 237.A O no hydrogen 3.192 N/A THR 241.A OG1 LEU 238.A O no hydrogen 2.654 N/A ARG 243.A NE GLU 150.A OE1 no hydrogen 2.793 N/A ARG 243.A NE THR 167.A OG1 no hydrogen 3.388 N/A ARG 243.A NH1 ASP 244.A OD1 no hydrogen 3.035 N/A TYR 245.A N THR 241.A O no hydrogen 2.880 N/A LEU 246.A N PHE 242.A O no hydrogen 2.911 N/A HIS 247.A N ARG 243.A O no hydrogen 3.328 N/A TYR 248.A N ASP 244.A O no hydrogen 3.007 N/A TYR 248.A OH MET 1.A O no hydrogen 2.894 N/A HIS 249.A N TYR 245.A O no hydrogen 2.852 N/A HIS 249.A NE2 ILE 2.A O no hydrogen 2.747 N/A ILE 250.A N LEU 246.A O no hydrogen 2.925 N/A LYS 251.A N HIS 247.A O no hydrogen 3.094 N/A CYS 252.A N TYR 248.A O no hydrogen 2.998 N/A CYS 252.A SG TYR 248.A O no hydrogen 3.335 N/A SER 253.A N HIS 249.A O no hydrogen 3.163 N/A LYS 254.A NZ ASP 174.A OD1 no hydrogen 2.853 N/A ALA 255.A N LYS 251.A O no hydrogen 3.192 N/A TYR 256.A N CYS 252.A O no hydrogen 3.148 N/A TYR 256.A N SER 253.A O no hydrogen 2.525 N/A ILE 257.A N SER 253.A O no hydrogen 2.830 N/A HIS 258.A N LYS 254.A O no hydrogen 3.123 N/A THR 259.A N ALA 255.A O no hydrogen 3.307 N/A THR 259.A OG1 TYR 256.A O no hydrogen 2.580 N/A ARG 260.A N TYR 256.A O no hydrogen 3.057 N/A MET 261.A N ILE 257.A O no hydrogen 2.852 N/A ARG 262.A N HIS 258.A O no hydrogen 2.758 N/A ALA 263.A N THR 259.A O no hydrogen 3.263 N/A LYS 264.A N ARG 260.A O no hydrogen 2.821 N/A THR 265.A N MET 261.A O no hydrogen 3.062 N/A SER 266.A N ARG 262.A O no hydrogen 2.919 N/A ASP 267.A N ALA 263.A O no hydrogen 2.976 N/A ASP 267.A N LYS 264.A O no hydrogen 3.194 N/A PHE 268.A N LYS 264.A O no hydrogen 3.120 N/A LEU 269.A N THR 265.A O no hydrogen 2.937 N/A LYS 270.A N ASP 267.A O no hydrogen 2.610 N/A VAL 271.A N ASP 267.A O no hydrogen 3.055 N/A LEU 272.A N PHE 268.A O no hydrogen 3.088 N/A ASN 273.A ND2 LEU 269.A O no hydrogen 3.047 N/A ARG 274.A N VAL 271.A O no hydrogen 2.853 N/A ALA 275.A N LEU 272.A O no hydrogen 2.787 N/A