Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ukr_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 7.A ND2 GLU 12.A OE1 no hydrogen 2.532 N/A ASN 7.A ND2 HIS 111.A O no hydrogen 2.773 N/A ASN 8.A N GLY 114.A O no hydrogen 2.891 N/A ASN 8.A ND2 ASP 37.A OD2 no hydrogen 2.585 N/A ARG 9.A NE GLU 5.A OE1 no hydrogen 2.767 N/A ARG 9.A NH2 GLU 5.A OE2 no hydrogen 2.734 N/A ILE 11.A N ASN 8.A OD1 no hydrogen 3.048 N/A GLU 12.A N ASN 8.A O no hydrogen 3.215 N/A GLU 13.A N ARG 9.A O no hydrogen 2.949 N/A THR 14.A N ILE 10.A O no hydrogen 2.990 N/A THR 14.A OG1 ILE 10.A O no hydrogen 2.506 N/A LEU 15.A N ILE 11.A O no hydrogen 2.962 N/A ALA 16.A N GLU 12.A O no hydrogen 2.953 N/A LEU 17.A N GLU 13.A O no hydrogen 3.382 N/A LYS 18.A N THR 14.A O no hydrogen 3.199 N/A PHE 19.A N LEU 15.A O no hydrogen 2.788 N/A GLU 20.A N ALA 16.A O no hydrogen 2.873 N/A ASN 21.A N LEU 17.A O no hydrogen 3.108 N/A ALA 22.A N LYS 18.A O no hydrogen 2.958 N/A ALA 23.A N PHE 19.A O no hydrogen 3.050 N/A ALA 24.A N GLU 20.A O no hydrogen 3.060 N/A GLY 25.A N ALA 22.A O no hydrogen 3.208 N/A ASN 26.A N ASN 21.A O no hydrogen 3.186 N/A ASN 26.A ND2 ASN 21.A OD1 no hydrogen 3.077 N/A VAL 31.A N ASN 47.A OD1 no hydrogen 2.926 N/A VAL 33.A N ILE 45.A O no hydrogen 2.873 N/A PHE 35.A N TYR 43.A O no hydrogen 3.445 N/A ASP 37.A N VAL 41.A O no hydrogen 3.039 N/A PHE 38.A N ASP 37.A OD1 no hydrogen 3.090 N/A LEU 42.A N SER 60.A O no hydrogen 3.094 N/A TYR 43.A N PHE 35.A O no hydrogen 2.879 N/A TYR 43.A OH ASP 37.A OD2 no hydrogen 3.082 N/A HIS 44.A N SER 58.A O no hydrogen 2.999 N/A HIS 44.A ND1 GLU 88.A OE2 no hydrogen 2.748 N/A HIS 44.A NE2 GLU 32.A OE2 no hydrogen 2.699 N/A ILE 45.A N VAL 33.A O no hydrogen 3.001 N/A SER 46.A N MET 56.A O no hydrogen 3.035 N/A ASN 47.A ND2 LYS 54.A O no hydrogen 2.877 N/A GLY 50.A N ASN 47.A O no hydrogen 2.999 N/A ASP 51.A N PRO 48.A O no hydrogen 3.243 N/A THR 53.A N ASP 51.A OD2 no hydrogen 3.084 N/A THR 53.A OG1 ASP 51.A OD1 no hydrogen 3.251 N/A THR 53.A OG1 ASP 51.A OD2 no hydrogen 2.655 N/A LYS 54.A N ASP 51.A O no hydrogen 3.137 N/A LYS 54.A NZ THR 53.A OG1 no hydrogen 2.791 N/A LYS 54.A NZ ASP 98.A OD1 no hydrogen 3.326 N/A LYS 54.A NZ ASP 98.A OD2 no hydrogen 3.205 N/A VAL 55.A N TYR 97.A O no hydrogen 3.003 N/A MET 56.A N SER 46.A O no hydrogen 2.754 N/A VAL 57.A N LEU 95.A O no hydrogen 2.901 N/A SER 58.A N HIS 44.A O no hydrogen 2.826 N/A SER 58.A OG GLU 88.A OE1 no hydrogen 2.486 N/A SER 58.A OG SER 94.A OG no hydrogen 3.004 N/A ILE 59.A N VAL 93.A O no hydrogen 2.979 N/A SER 60.A N LEU 42.A O no hydrogen 2.760 N/A SER 60.A OG GLY 90.A O no hydrogen 3.410 N/A LEU 61.A N ASN 92.A OD1 no hydrogen 3.040 N/A LYS 62.A NZ ASP 148.A OD1 no hydrogen 3.408 N/A LYS 62.A NZ ASP 148.A OD2 no hydrogen 3.074 N/A TYR 64.A N LEU 61.A O no hydrogen 3.329 N/A TYR 64.A OH ASP 73.A OD1 no hydrogen 2.814 N/A GLU 66.A N PHE 63.A O no hydrogen 2.909 N/A LEU 67.A N TYR 64.A O no hydrogen 2.861 N/A GLN 68.A N TYR 64.A O no hydrogen 2.885 N/A GLN 68.A NE2 ASP 73.A OD1 no hydrogen 3.356 N/A GLN 68.A NE2 ASP 73.A OD2 no hydrogen 2.734 N/A ALA 69.A N LYS 65.A O no hydrogen 3.157 N/A HIS 70.A N LEU 67.A O no hydrogen 3.116 N/A GLY 71.A N GLN 68.A O no hydrogen 3.217 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.425 N/A LEU 75.A N GLY 71.A O no hydrogen 3.264 N/A LEU 76.A N ALA 72.A O no hydrogen 3.039 N/A LYS 77.A N ASP 73.A O no hydrogen 3.159 N/A LYS 77.A NZ GLY 81.A O no hydrogen 2.874 N/A LYS 77.A NZ LEU 84.A O no hydrogen 3.099 N/A ARG 78.A N GLU 74.A O no hydrogen 3.042 N/A VAL 79.A N LEU 75.A O no hydrogen 3.084 N/A TYR 80.A N LEU 76.A O no hydrogen 2.818 N/A TYR 80.A OH GLN 112.A O no hydrogen 2.475 N/A GLY 81.A N LYS 77.A O no hydrogen 2.594 N/A TYR 83.A N TYR 80.A O no hydrogen 3.042 N/A LEU 84.A N GLY 81.A O no hydrogen 3.128 N/A VAL 85.A N SER 94.A O no hydrogen 3.177 N/A GLU 88.A N SER 94.A OG no hydrogen 2.771 N/A TYR 91.A N GLU 88.A O no hydrogen 2.831 N/A ASN 92.A N ILE 59.A O no hydrogen 2.883 N/A VAL 93.A N ILE 59.A O no hydrogen 3.419 N/A SER 94.A OG SER 58.A OG no hydrogen 3.004 N/A LEU 95.A N VAL 57.A O no hydrogen 2.853 N/A LEU 96.A N TYR 83.A O no hydrogen 2.821 N/A TYR 97.A N VAL 55.A O no hydrogen 2.975 N/A LEU 99.A N THR 53.A O no hydrogen 2.847 N/A GLU 100.A N ASP 98.A OD1 no hydrogen 2.621 N/A ASN 101.A N ASP 98.A O no hydrogen 3.072 N/A LYS 106.A NZ PRO 103.A O no hydrogen 3.320 N/A LYS 106.A NZ ALA 104.A O no hydrogen 3.264 N/A ILE 109.A N LYS 106.A O no hydrogen 3.278 N/A VAL 110.A N LYS 106.A O no hydrogen 3.225 N/A GLN 112.A N SER 108.A O no hydrogen 3.471 N/A ALA 113.A N ILE 109.A O no hydrogen 2.964 N/A GLY 114.A N VAL 110.A O no hydrogen 3.069 N/A MET 115.A N GLN 112.A O no hydrogen 3.265 N/A LEU 116.A N ALA 113.A O no hydrogen 3.202 N/A LYS 117.A NZ PHE 38.A O no hydrogen 3.288 N/A ARG 118.A NE ASN 242.A OD1 no hydrogen 2.748 N/A ARG 118.A NH1 ASN 119.A OD1 no hydrogen 3.336 N/A ARG 118.A NH2 ASP 238.A O no hydrogen 3.376 N/A ARG 118.A NH2 ASP 238.A OD1 no hydrogen 3.042 N/A ARG 118.A NH2 ASN 242.A OD1 no hydrogen 3.450 N/A ASN 119.A N MET 115.A O no hydrogen 2.897 N/A ASN 119.A ND2 TYR 80.A OH no hydrogen 2.642 N/A ASN 119.A ND2 GLN 112.A OE1 no hydrogen 3.183 N/A CYS 120.A N LEU 116.A O no hydrogen 3.134 N/A CYS 120.A SG LEU 116.A O no hydrogen 3.422 N/A PHE 121.A N ARG 118.A O no hydrogen 3.103 N/A ALA 122.A N ARG 118.A O no hydrogen 3.084 N/A SER 123.A OG HIS 70.A O no hydrogen 3.087 N/A VAL 124.A N PHE 121.A O no hydrogen 3.208 N/A GLU 126.A N ALA 122.A O no hydrogen 2.985 N/A LYS 127.A N SER 123.A O no hydrogen 2.803 N/A LYS 127.A NZ HIS 70.A ND1 no hydrogen 2.869 N/A TYR 128.A N VAL 124.A O no hydrogen 3.404 N/A TYR 128.A OH ASN 140.A O no hydrogen 2.765 N/A PHE 129.A N PHE 125.A O no hydrogen 2.848 N/A GLN 130.A N GLU 126.A O no hydrogen 2.834 N/A PHE 131.A N LYS 127.A O no hydrogen 3.219 N/A GLN 132.A N TYR 128.A O no hydrogen 3.220 N/A GLN 132.A NE2 LYS 158.A O no hydrogen 2.661 N/A GLU 133.A N PHE 129.A O no hydrogen 2.995 N/A GLU 134.A N PHE 131.A O no hydrogen 2.844 N/A GLY 135.A N GLN 132.A O no hydrogen 3.227 N/A LYS 136.A N PHE 131.A O no hydrogen 3.257 N/A ARG 141.A NH1 GLU 155.A OE2 no hydrogen 3.168 N/A ALA 142.A N VAL 154.A O no hydrogen 2.889 N/A ILE 144.A N MET 152.A O no hydrogen 2.915 N/A HIS 145.A N GLU 66.A OE1 no hydrogen 2.742 N/A HIS 145.A ND1 GLU 66.A OE2 no hydrogen 2.646 N/A TYR 146.A N ILE 144.A O no hydrogen 2.955 N/A TYR 146.A OH GLU 150.A OE1 no hydrogen 2.767 N/A ARG 147.A N GLU 150.A O no hydrogen 3.417 N/A ARG 147.A NH1 ASP 39.A OD1 no hydrogen 3.191 N/A GLU 150.A N ARG 147.A O no hydrogen 3.176 N/A THR 151.A N SER 166.A O no hydrogen 3.280 N/A MET 152.A N ILE 144.A O no hydrogen 2.877 N/A TYR 153.A N VAL 164.A O no hydrogen 2.765 N/A VAL 154.A N ALA 142.A O no hydrogen 3.073 N/A GLU 155.A N THR 162.A O no hydrogen 3.060 N/A SER 156.A OG TYR 128.A O no hydrogen 3.307 N/A LYS 157.A N ARG 160.A O no hydrogen 2.775 N/A VAL 161.A N LEU 227.A O no hydrogen 2.850 N/A THR 162.A N GLU 155.A O no hydrogen 2.931 N/A VAL 163.A N PHE 225.A O no hydrogen 2.935 N/A VAL 164.A N TYR 153.A O no hydrogen 2.726 N/A PHE 165.A N ILE 223.A O no hydrogen 2.775 N/A SER 166.A N THR 151.A O no hydrogen 2.787 N/A THR 167.A N GLY 221.A O no hydrogen 2.828 N/A THR 167.A OG1 GLU 150.A OE1 no hydrogen 2.814 N/A THR 167.A OG1 GLU 150.A OE2 no hydrogen 3.253 N/A THR 167.A OG1 HIS 252.A NE2 no hydrogen 2.837 N/A PHE 169.A N ASN 219.A O no hydrogen 2.747 N/A ASP 174.A N ASP 171.A O no hydrogen 2.867 N/A ILE 177.A N ASP 173.A O no hydrogen 3.359 N/A GLY 178.A N ASP 174.A O no hydrogen 2.822 N/A LYS 179.A N VAL 175.A O no hydrogen 2.931 N/A VAL 180.A N VAL 176.A O no hydrogen 3.419 N/A PHE 181.A N ILE 177.A O no hydrogen 3.266 N/A MET 182.A N GLY 178.A O no hydrogen 2.768 N/A GLN 183.A N LYS 179.A O no hydrogen 2.930 N/A GLN 183.A NE2 GLU 187.A OE2 no hydrogen 2.569 N/A GLU 184.A N VAL 180.A O no hydrogen 3.400 N/A PHE 185.A N PHE 181.A O no hydrogen 3.137 N/A PHE 185.A N MET 182.A O no hydrogen 3.213 N/A LYS 186.A N MET 182.A O no hydrogen 3.052 N/A LYS 186.A NZ PHE 200.A O no hydrogen 3.384 N/A GLY 188.A N PHE 185.A O no hydrogen 2.989 N/A ARG 189.A NH1 GLN 197.A OE1 no hydrogen 2.930 N/A ARG 190.A N GLU 187.A O no hydrogen 3.189 N/A ALA 191.A N GLY 188.A O no hydrogen 2.805 N/A SER 192.A N GLY 188.A O no hydrogen 3.053 N/A ALA 195.A N SER 192.A O no hydrogen 3.217 N/A GLN 197.A N VAL 226.A O no hydrogen 3.385 N/A LEU 199.A N THR 224.A O no hydrogen 2.775 N/A SER 201.A N TYR 222.A O no hydrogen 2.758 N/A SER 201.A OG GLU 204.A O no hydrogen 2.380 N/A ARG 203.A N ILE 220.A O no hydrogen 3.021 N/A ARG 203.A NE ASP 218.A OD1 no hydrogen 3.108 N/A ARG 203.A NH2 ASP 218.A OD1 no hydrogen 2.435 N/A GLU 208.A N GLU 208.A OE2 no hydrogen 2.965 N/A LEU 209.A N PRO 206.A O no hydrogen 2.690 N/A LYS 210.A N LEU 207.A O no hydrogen 2.958 N/A THR 212.A N LEU 209.A O no hydrogen 2.918 N/A THR 212.A OG1 LEU 209.A O no hydrogen 2.932 N/A GLY 217.A N ARG 203.A O no hydrogen 3.198 N/A ASN 219.A ND2 PHE 169.A O no hydrogen 2.757 N/A ILE 220.A N GLY 217.A O no hydrogen 3.219 N/A GLY 221.A N THR 167.A O no hydrogen 2.724 N/A TYR 222.A N SER 201.A O no hydrogen 2.824 N/A TYR 222.A OH ALA 215.A O no hydrogen 2.491 N/A ILE 223.A N PHE 165.A O no hydrogen 2.923 N/A THR 224.A N LEU 199.A O no hydrogen 2.744 N/A PHE 225.A N VAL 163.A O no hydrogen 2.838 N/A VAL 226.A N GLN 197.A O no hydrogen 2.853 N/A LEU 227.A N VAL 161.A O no hydrogen 2.676 N/A HIS 231.A N PHE 228.A O no hydrogen 2.453 N/A THR 232.A N PHE 228.A O no hydrogen 3.105 N/A ASN 233.A N PRO 229.A O no hydrogen 2.797 N/A ASN 233.A ND2 PRO 229.A O no hydrogen 3.251 N/A SER 235.A N ASN 233.A OD1 no hydrogen 2.340 N/A ALA 236.A N ASN 233.A OD1 no hydrogen 3.202 N/A ARG 237.A N ASN 233.A O no hydrogen 3.002 N/A THR 240.A N ALA 236.A O no hydrogen 3.157 N/A THR 240.A OG1 HIS 231.A O no hydrogen 2.971 N/A ILE 241.A N ARG 237.A O no hydrogen 2.992 N/A ILE 241.A N ASP 238.A O no hydrogen 3.019 N/A ASN 242.A N ASP 238.A O no hydrogen 2.889 N/A LEU 243.A N ASN 239.A O no hydrogen 3.162 N/A ILE 244.A N THR 240.A O no hydrogen 3.216 N/A HIS 245.A N ILE 241.A O no hydrogen 3.194 N/A HIS 245.A ND1 ILE 241.A O no hydrogen 3.050 N/A THR 246.A N LEU 243.A O no hydrogen 3.107 N/A THR 246.A OG1 LEU 243.A O no hydrogen 2.710 N/A ARG 248.A NE GLU 150.A OE1 no hydrogen 3.068 N/A ARG 248.A NH1 ASP 249.A OD1 no hydrogen 3.222 N/A ARG 248.A NH2 GLU 150.A OE2 no hydrogen 2.865 N/A TYR 250.A N THR 246.A O no hydrogen 2.860 N/A TYR 250.A N PHE 247.A O no hydrogen 2.852 N/A LEU 251.A N PHE 247.A O no hydrogen 2.865 N/A HIS 252.A N ARG 248.A O no hydrogen 3.169 N/A HIS 252.A NE2 THR 167.A OG1 no hydrogen 2.837 N/A TYR 253.A N ASP 249.A O no hydrogen 2.940 N/A TYR 253.A OH MET 1.A O no hydrogen 2.897 N/A HIS 254.A N TYR 250.A O no hydrogen 2.950 N/A HIS 254.A NE2 ILE 2.A O no hydrogen 2.778 N/A ILE 255.A N LEU 251.A O no hydrogen 3.110 N/A LYS 256.A N HIS 252.A O no hydrogen 3.361 N/A CYS 257.A N TYR 253.A O no hydrogen 3.172 N/A CYS 257.A SG TYR 253.A O no hydrogen 3.661 N/A SER 258.A N HIS 254.A O no hydrogen 3.029 N/A LYS 259.A N ILE 255.A O no hydrogen 3.050 N/A LYS 259.A NZ ASP 174.A OD1 no hydrogen 3.074 N/A ALA 260.A N LYS 256.A O no hydrogen 3.193 N/A TYR 261.A N CYS 257.A O no hydrogen 3.066 N/A ILE 262.A N SER 258.A O no hydrogen 3.014 N/A HIS 263.A N LYS 259.A O no hydrogen 3.059 N/A THR 264.A N ALA 260.A O no hydrogen 3.335 N/A THR 264.A OG1 TYR 261.A O no hydrogen 2.954 N/A ARG 265.A N TYR 261.A O no hydrogen 3.272 N/A ARG 265.A NE TYR 261.A OH no hydrogen 3.432 N/A MET 266.A N ILE 262.A O no hydrogen 2.871 N/A ARG 267.A N HIS 263.A O no hydrogen 2.776 N/A ALA 268.A N THR 264.A O no hydrogen 3.090 N/A LYS 269.A N ARG 265.A O no hydrogen 2.981 N/A THR 270.A N MET 266.A O no hydrogen 2.879 N/A THR 270.A OG1 MET 266.A O no hydrogen 2.962 N/A SER 271.A N ARG 267.A O no hydrogen 3.009 N/A ASP 272.A N ALA 268.A O no hydrogen 3.091 N/A PHE 273.A N LYS 269.A O no hydrogen 2.915 N/A LEU 274.A N THR 270.A O no hydrogen 3.159 N/A LYS 275.A N SER 271.A O no hydrogen 3.309 N/A LYS 275.A N ASP 272.A O no hydrogen 3.170 N/A LYS 275.A NZ SER 271.A OG no hydrogen 3.102 N/A LYS 275.A NZ ASP 272.A OD2 no hydrogen 3.368 N/A VAL 276.A N ASP 272.A O no hydrogen 3.194 N/A LEU 277.A N PHE 273.A O no hydrogen 2.801 N/A ASN 278.A N LEU 274.A O no hydrogen 3.128 N/A ASN 278.A ND2 LEU 274.A O no hydrogen 2.460 N/A ARG 279.A N VAL 276.A O no hydrogen 3.105 N/A ALA 280.A N LEU 277.A O no hydrogen 3.109 N/A ARG 281.A N ASN 278.A O no hydrogen 3.387 N/A