Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 GLU 36.A OE1 no hydrogen 3.061 N/A SER 3.A N GLU 36.A O no hydrogen 2.918 N/A SER 3.A OG GLU 33.A OE2 no hydrogen 2.773 N/A GLN 4.A NE2 GLU 33.A OE2 no hydrogen 3.496 N/A GLN 4.A NE2 ASP 235.A O no hydrogen 3.287 N/A GLY 5.A N MET 2.A O no hydrogen 2.916 N/A ARG 6.A NE GLU 10.A OE2 no hydrogen 3.024 N/A LYS 7.A NZ GLU 10.A OE1 no hydrogen 2.963 N/A ALA 9.A N GLY 5.A O no hydrogen 3.237 N/A GLU 10.A N ARG 6.A O no hydrogen 2.869 N/A ARG 11.A N LYS 7.A O no hydrogen 2.963 N/A ARG 11.A NH1 SER 242.A O no hydrogen 3.367 N/A LEU 12.A N ALA 8.A O no hydrogen 2.971 N/A LEU 12.A N ALA 9.A O no hydrogen 3.225 N/A ALA 13.A N ALA 9.A O no hydrogen 3.017 N/A ALA 13.A N GLU 10.A O no hydrogen 3.372 N/A LYS 14.A N ASP 41.A O no hydrogen 2.517 N/A LYS 14.A NZ ASP 41.A OD2 no hydrogen 2.932 N/A LYS 15.A N LEU 12.A O no hydrogen 3.102 N/A LYS 15.A NZ ARG 11.A O no hydrogen 2.649 N/A THR 16.A N ASP 98.A OD2 no hydrogen 2.706 N/A VAL 17.A N LYS 43.A O no hydrogen 2.804 N/A LEU 18.A N ILE 99.A O no hydrogen 2.723 N/A ILE 19.A N ILE 45.A O no hydrogen 2.902 N/A THR 20.A N VAL 101.A O no hydrogen 3.077 N/A ALA 22.A N ALA 47.A O no hydrogen 3.046 N/A LYS 28.A N ALA 24.A O no hydrogen 3.250 N/A ALA 29.A N GLY 25.A O no hydrogen 2.992 N/A THR 30.A N ILE 26.A O no hydrogen 2.771 N/A THR 30.A OG1 ILE 26.A O no hydrogen 2.678 N/A ALA 31.A N GLY 27.A O no hydrogen 3.044 N/A LEU 32.A N LYS 28.A O no hydrogen 3.246 N/A GLU 33.A N ALA 29.A O no hydrogen 2.850 N/A TYR 34.A N THR 30.A O no hydrogen 2.950 N/A TYR 34.A OH THR 241.A OG1 no hydrogen 2.730 N/A LEU 35.A N ALA 31.A O no hydrogen 3.366 N/A GLU 36.A N LEU 32.A O no hydrogen 2.984 N/A ALA 37.A N GLU 33.A O no hydrogen 2.999 N/A SER 38.A N LEU 35.A O no hydrogen 3.233 N/A SER 38.A OG TYR 34.A O no hydrogen 2.730 N/A SER 38.A OG LEU 35.A O no hydrogen 3.506 N/A GLY 40.A N LEU 35.A O no hydrogen 3.073 N/A ASP 41.A N SER 38.A O no hydrogen 3.173 N/A MET 42.A N GLY 40.A O no hydrogen 3.056 N/A LYS 43.A N LYS 15.A O no hydrogen 3.019 N/A LYS 43.A NZ GLU 93.A O no hydrogen 2.819 N/A LEU 44.A N LYS 69.A O no hydrogen 2.822 N/A ILE 45.A N VAL 17.A O no hydrogen 2.768 N/A LEU 46.A N HIS 71.A O no hydrogen 3.001 N/A ALA 47.A N ILE 19.A O no hydrogen 3.053 N/A ALA 48.A N ALA 73.A O no hydrogen 3.403 N/A ARG 50.A NH1 GLU 205.A OE1 no hydrogen 3.054 N/A ARG 50.A NH2 SER 23.A OG no hydrogen 3.185 N/A ARG 50.A NH2 GLU 205.A OE1 no hydrogen 3.447 N/A LEU 54.A N ARG 50.A O no hydrogen 3.192 N/A GLU 55.A N LEU 51.A O no hydrogen 2.864 N/A GLU 56.A N GLU 52.A O no hydrogen 2.870 N/A LEU 57.A N LYS 53.A O no hydrogen 3.031 N/A LYS 58.A N LEU 54.A O no hydrogen 2.857 N/A LYS 58.A NZ ASP 62.A OD1 no hydrogen 3.405 N/A LYS 58.A NZ ASP 62.A OD2 no hydrogen 3.023 N/A LYS 59.A N GLU 55.A O no hydrogen 2.872 N/A THR 60.A N GLU 56.A O no hydrogen 2.978 N/A THR 60.A OG1 GLU 56.A O no hydrogen 3.313 N/A ILE 61.A N LEU 57.A O no hydrogen 2.859 N/A ASP 62.A N LYS 58.A O no hydrogen 2.736 N/A GLN 63.A N LYS 59.A O no hydrogen 3.248 N/A GLU 64.A N THR 60.A O no hydrogen 3.013 N/A PHE 65.A N ILE 61.A O no hydrogen 2.595 N/A ASN 67.A ND2 ASN 39.A O no hydrogen 2.873 N/A ALA 68.A N PHE 65.A O no hydrogen 2.741 N/A LYS 69.A N MET 42.A O no hydrogen 3.285 N/A HIS 71.A N LEU 44.A O no hydrogen 2.693 N/A ALA 73.A N LEU 46.A O no hydrogen 2.819 N/A GLN 74.A NE2 ARG 49.A O no hydrogen 3.000 N/A LEU 75.A N ALA 48.A O no hydrogen 2.904 N/A THR 78.A N ASP 76.A OD1 no hydrogen 2.857 N/A GLN 79.A N ASP 76.A O no hydrogen 2.818 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.675 N/A LYS 82.A N GLN 79.A O no hydrogen 2.955 N/A LYS 82.A NZ GLN 79.A OE1 no hydrogen 2.765 N/A ILE 83.A N ALA 80.A O no hydrogen 3.067 N/A LYS 84.A NZ GLU 88.A OE2 no hydrogen 3.185 N/A PHE 86.A N LYS 82.A O no hydrogen 2.814 N/A ILE 87.A N ILE 83.A O no hydrogen 3.061 N/A GLU 88.A N LYS 84.A O no hydrogen 2.926 N/A ASN 89.A N PRO 85.A O no hydrogen 2.830 N/A ASN 89.A N PHE 86.A O no hydrogen 3.350 N/A LEU 90.A N ILE 87.A O no hydrogen 3.212 N/A PHE 94.A N PRO 91.A O no hydrogen 2.752 N/A LYS 95.A N GLN 92.A O no hydrogen 3.126 N/A LYS 95.A NZ GLU 88.A O no hydrogen 2.837 N/A LYS 95.A NZ LEU 90.A O no hydrogen 2.660 N/A ASP 98.A N THR 16.A O no hydrogen 2.748 N/A ILE 99.A N THR 16.A O no hydrogen 3.066 N/A LEU 100.A N ASP 150.A O no hydrogen 2.876 N/A VAL 101.A N LEU 18.A O no hydrogen 2.821 N/A ASN 102.A N VAL 152.A O no hydrogen 2.760 N/A ASN 102.A ND2 ASN 153.A OD1 no hydrogen 2.903 N/A ASN 103.A N VAL 101.A O no hydrogen 2.961 N/A ASN 103.A ND2 THR 20.A O no hydrogen 2.800 N/A ALA 104.A N THR 20.A OG1 no hydrogen 2.858 N/A LYS 106.A N ASN 128.A OD1 no hydrogen 2.968 N/A LYS 106.A NZ ASP 123.A OD1 no hydrogen 3.451 N/A GLY 109.A N ARG 210.A O no hydrogen 2.703 N/A SER 110.A OG TYR 211.A OH no hydrogen 2.744 N/A GLN 115.A N ARG 112.A O no hydrogen 2.860 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.859 N/A ILE 121.A N ALA 117.A O no hydrogen 3.052 N/A GLN 122.A N THR 118.A O no hydrogen 2.995 N/A GLN 122.A NE2 THR 118.A O no hydrogen 2.943 N/A ASP 123.A N GLU 119.A O no hydrogen 2.895 N/A VAL 124.A N ASP 120.A O no hydrogen 3.158 N/A PHE 125.A N ILE 121.A O no hydrogen 3.151 N/A ASP 126.A N GLN 122.A O no hydrogen 2.822 N/A THR 127.A N ASP 123.A O no hydrogen 2.978 N/A THR 127.A OG1 ASP 123.A O no hydrogen 2.880 N/A THR 127.A OG1 ASP 123.A OD1 no hydrogen 3.328 N/A ASN 128.A N VAL 124.A O no hydrogen 2.783 N/A ASN 128.A ND2 LYS 106.A O no hydrogen 2.817 N/A ASN 128.A ND2 SER 172.A OG no hydrogen 3.097 N/A VAL 129.A N PHE 125.A O no hydrogen 2.890 N/A THR 130.A N PHE 125.A O no hydrogen 3.097 N/A ALA 131.A N ASP 126.A O no hydrogen 2.741 N/A ILE 133.A N VAL 129.A O no hydrogen 2.876 N/A ASN 134.A N THR 130.A O no hydrogen 2.850 N/A ILE 135.A N ALA 131.A O no hydrogen 2.823 N/A THR 136.A N LEU 132.A O no hydrogen 2.939 N/A THR 136.A OG1 LEU 132.A O no hydrogen 2.632 N/A GLN 137.A N ILE 133.A O no hydrogen 2.827 N/A ALA 138.A N ASN 134.A O no hydrogen 2.966 N/A VAL 139.A N ILE 135.A O no hydrogen 3.089 N/A LEU 140.A N THR 136.A O no hydrogen 2.985 N/A ILE 142.A N VAL 139.A O no hydrogen 2.769 N/A GLN 144.A N LEU 140.A O no hydrogen 2.863 N/A ALA 145.A N PRO 141.A O no hydrogen 2.933 N/A LYS 146.A NZ ASP 96.A OD1 no hydrogen 2.777 N/A LYS 146.A NZ ILE 97.A O no hydrogen 2.786 N/A LYS 146.A NZ ASP 98.A OD1 no hydrogen 2.959 N/A ASN 147.A N GLN 144.A O no hydrogen 3.374 N/A SER 148.A N PHE 143.A O no hydrogen 3.158 N/A ASP 150.A N ASP 98.A O no hydrogen 2.917 N/A ILE 151.A N ARG 193.A O no hydrogen 2.796 N/A VAL 152.A N LEU 100.A O no hydrogen 2.750 N/A ASN 153.A N ILE 195.A O no hydrogen 2.832 N/A ASN 153.A ND2 THR 180.A OG1 no hydrogen 2.860 N/A LEU 154.A N ASN 102.A O no hydrogen 3.217 N/A GLY 155.A N ILE 197.A O no hydrogen 2.831 N/A ILE 157.A N PRO 199.A O no hydrogen 2.943 N/A ALA 158.A N SER 156.A OG no hydrogen 2.827 N/A GLY 159.A N SER 156.A O no hydrogen 2.731 N/A ARG 160.A N ILE 157.A O no hydrogen 3.140 N/A ARG 160.A NH2 ASP 251.A OD1 no hydrogen 2.748 N/A ASP 161.A N ILE 157.A O no hydrogen 3.207 N/A THR 165.A OG1 PRO 164.A O no hydrogen 2.483 N/A GLY 166.A N TYR 163.A O no hydrogen 3.160 N/A CYS 170.A N GLY 166.A O no hydrogen 2.770 N/A CYS 170.A SG ALA 158.A O no hydrogen 3.712 N/A CYS 170.A SG GLY 166.A O no hydrogen 3.126 N/A ALA 171.A N SER 167.A O no hydrogen 2.758 N/A SER 172.A N ILE 168.A O no hydrogen 2.791 N/A SER 172.A OG TYR 169.A O no hydrogen 2.752 N/A LYS 173.A N TYR 169.A O no hydrogen 2.871 N/A LYS 173.A NZ LEU 154.A O no hydrogen 2.647 N/A PHE 174.A N CYS 170.A O no hydrogen 2.815 N/A ALA 175.A N ALA 171.A O no hydrogen 3.012 N/A VAL 176.A N SER 172.A O no hydrogen 2.969 N/A GLY 177.A N LYS 173.A O no hydrogen 2.983 N/A ALA 178.A N PHE 174.A O no hydrogen 2.879 N/A PHE 179.A N ALA 175.A O no hydrogen 2.885 N/A THR 180.A N VAL 176.A O no hydrogen 2.872 N/A THR 180.A OG1 VAL 176.A O no hydrogen 2.676 N/A ASP 181.A N GLY 177.A O no hydrogen 2.811 N/A SER 182.A N ALA 178.A O no hydrogen 2.852 N/A LEU 183.A N PHE 179.A O no hydrogen 2.949 N/A ARG 184.A N THR 180.A O no hydrogen 2.936 N/A ARG 184.A NH1 VAL 194.A O no hydrogen 2.575 N/A LYS 185.A N ASP 181.A O no hydrogen 2.966 N/A LYS 185.A NZ ASP 181.A OD1 no hydrogen 3.548 N/A LYS 185.A NZ ASP 181.A OD2 no hydrogen 2.776 N/A GLU 186.A N SER 182.A O no hydrogen 2.893 N/A LEU 187.A N LEU 183.A O no hydrogen 3.071 N/A THR 190.A N LEU 187.A O no hydrogen 2.767 N/A THR 190.A OG1 LEU 187.A O no hydrogen 2.868 N/A LYS 191.A N ASN 147.A OD1 no hydrogen 2.804 N/A ILE 192.A N THR 190.A OG1 no hydrogen 3.089 N/A ARG 193.A N GLY 149.A O no hydrogen 2.903 N/A ARG 193.A NE ASP 150.A OD1 no hydrogen 2.660 N/A ARG 193.A NH1 ARG 243.A O no hydrogen 2.913 N/A ARG 193.A NH1 THR 247.A O no hydrogen 2.995 N/A ARG 193.A NH2 ASP 150.A OD1 no hydrogen 3.357 N/A ARG 193.A NH2 ASP 150.A OD2 no hydrogen 2.986 N/A ARG 193.A NH2 THR 241.A O no hydrogen 2.917 N/A ILE 195.A N ILE 151.A O no hydrogen 2.865 N/A LEU 196.A N ALA 250.A O no hydrogen 2.839 N/A ILE 197.A N ASN 153.A O no hydrogen 2.969 N/A ALA 198.A N THR 252.A O no hydrogen 2.785 N/A GLY 200.A N ILE 254.A O no hydrogen 2.885 N/A LEU 201.A N GLN 259.A OE1 no hydrogen 2.916 N/A GLU 203.A N LEU 228.A O no hydrogen 2.838 N/A PHE 206.A N THR 204.A OG1 no hydrogen 2.731 N/A SER 207.A OG TYR 222.A OH no hydrogen 2.763 N/A VAL 209.A N GLU 205.A O no hydrogen 2.808 N/A ARG 210.A N PHE 206.A O no hydrogen 2.988 N/A ARG 210.A NE GLY 109.A O no hydrogen 3.186 N/A ARG 210.A NH2 TYR 163.A OH no hydrogen 3.024 N/A TYR 211.A N SER 207.A O no hydrogen 3.033 N/A TYR 211.A OH SER 110.A OG no hydrogen 2.744 N/A ARG 212.A N VAL 209.A O no hydrogen 3.053 N/A ARG 212.A NH1 ASP 120.A OD1 no hydrogen 2.881 N/A ARG 212.A NH1 ASP 120.A OD2 no hydrogen 3.201 N/A ARG 212.A NH2 ASP 120.A OD2 no hydrogen 2.791 N/A GLY 213.A N LEU 208.A O no hydrogen 2.877 N/A ASN 214.A N TYR 211.A O no hydrogen 3.134 N/A GLN 217.A N ASN 214.A OD1 no hydrogen 3.039 N/A ALA 218.A N ASN 214.A O no hydrogen 3.151 N/A LYS 219.A N GLU 215.A O no hydrogen 2.867 N/A ASN 220.A N GLU 216.A O no hydrogen 3.027 N/A VAL 221.A N ALA 218.A O no hydrogen 3.118 N/A TYR 222.A N LYS 219.A O no hydrogen 3.217 N/A LYS 223.A NZ ASP 224.A OD2 no hydrogen 3.381 N/A THR 225.A N TYR 222.A O no hydrogen 2.941 N/A THR 225.A OG1 TYR 222.A O no hydrogen 2.913 N/A LEU 228.A N LEU 201.A O no hydrogen 2.953 N/A MET 229.A N ASP 232.A OD2 no hydrogen 2.775 N/A ASP 232.A N MET 229.A O no hydrogen 2.943 N/A VAL 233.A N ALA 230.A O no hydrogen 3.141 N/A ALA 234.A N ALA 230.A O no hydrogen 2.982 N/A ASP 235.A N ASP 231.A O no hydrogen 2.820 N/A LEU 236.A N ASP 232.A O no hydrogen 3.379 N/A ILE 237.A N VAL 233.A O no hydrogen 3.018 N/A VAL 238.A N ALA 234.A O no hydrogen 2.913 N/A TYR 239.A N ASP 235.A O no hydrogen 2.838 N/A ALA 240.A N LEU 236.A O no hydrogen 2.813 N/A THR 241.A N ILE 237.A O no hydrogen 3.040 N/A THR 241.A OG1 TYR 34.A OH no hydrogen 2.730 N/A THR 241.A OG1 ILE 237.A O no hydrogen 2.787 N/A THR 241.A OG1 VAL 238.A O no hydrogen 3.410 N/A SER 242.A N VAL 238.A O no hydrogen 2.959 N/A SER 242.A N TYR 239.A O no hydrogen 3.187 N/A SER 242.A OG VAL 238.A O no hydrogen 2.819 N/A SER 242.A OG TYR 239.A O no hydrogen 3.174 N/A ARG 243.A NE TYR 239.A O no hydrogen 2.966 N/A ARG 243.A NH2 SER 242.A OG no hydrogen 2.834 N/A THR 247.A N LYS 244.A O no hydrogen 2.951 N/A THR 252.A N LEU 196.A O no hydrogen 3.040 N/A ILE 254.A N ALA 198.A O no hydrogen 2.937 N/A ASN 258.A ND2 PHE 266.A O no hydrogen 2.720 N/A GLN 259.A N PRO 256.A O no hydrogen 2.867 N/A GLN 259.A NE2 SER 261.A O no hydrogen 3.036 N/A ALA 260.A N HIS 264.A O no hydrogen 2.716 N/A SER 261.A OG HIS 264.A ND1 no hydrogen 2.596 N/A HIS 263.A N SER 261.A OG no hydrogen 3.010 N/A HIS 263.A NE2 ASP 161.A OD1 no hydrogen 2.754 N/A HIS 264.A N SER 261.A O no hydrogen 3.251 N/A HIS 264.A ND1 SER 261.A OG no hydrogen 2.596 N/A PHE 266.A N ASN 258.A O no hydrogen 2.768 N/A ARG 267.A NH1 VAL 221.A O no hydrogen 3.215 N/A ARG 267.A NH1 LYS 223.A O no hydrogen 2.922 N/A ARG 267.A NH2 VAL 221.A O no hydrogen 3.382 N/A GLY 268.A N ASP 224.A O no hydrogen 2.886 N/A