Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N LYS 31.A O no hydrogen 3.483 N/A ILE 3.A N LYS 31.A O no hydrogen 2.786 N/A LYS 4.A N ASP 54.A OD2 no hydrogen 2.926 N/A LYS 4.A NZ GLY 51.A O no hydrogen 3.141 N/A ILE 5.A N THR 33.A O no hydrogen 2.858 N/A GLY 6.A N ILE 55.A O no hydrogen 2.850 N/A ALA 7.A N ILE 35.A O no hydrogen 2.889 N/A GLN 8.A N SER 13.A OG no hydrogen 2.875 N/A SER 9.A N.A LEU 38.A O no hydrogen 3.083 N/A SER 9.A N.B LEU 38.A O no hydrogen 3.089 N/A SER 9.A OG.A LEU 38.A O no hydrogen 3.533 N/A SER 9.A OG.B LEU 38.A O no hydrogen 3.396 N/A MET 10.A N GLN 8.A O no hydrogen 2.801 N/A SER 11.A OG ASP 251.A OD1 no hydrogen 2.716 N/A SER 11.A OG ASP 251.A OD2 no hydrogen 3.507 N/A SER 13.A OG THR 58.A OG1 no hydrogen 2.667 N/A GLU 14.A N MET 10.A O no hydrogen 3.203 N/A ILE 15.A N SER 11.A O no hydrogen 2.910 N/A ILE 16.A N GLU 12.A O no hydrogen 3.044 N/A ALA 17.A N SER 13.A O no hydrogen 2.884 N/A SER 18.A N GLU 14.A O no hydrogen 3.035 N/A SER 18.A OG GLN 22.A OE1 no hydrogen 2.909 N/A MET 19.A N ILE 15.A O no hydrogen 2.867 N/A LEU 20.A N ILE 16.A O no hydrogen 2.950 N/A GLY 21.A N ALA 17.A O no hydrogen 3.107 N/A GLN 22.A N SER 18.A O no hydrogen 2.915 N/A LEU 23.A N MET 19.A O no hydrogen 2.911 N/A ILE 24.A N LEU 20.A O no hydrogen 2.947 N/A GLU 25.A N GLY 21.A O no hydrogen 3.008 N/A HIS 26.A N GLN 22.A O no hydrogen 2.887 N/A HIS 27.A N LEU 23.A O no hydrogen 3.274 N/A HIS 27.A N ILE 24.A O no hydrogen 3.299 N/A THR 28.A N ILE 24.A O no hydrogen 3.006 N/A THR 28.A OG1 ILE 24.A O no hydrogen 2.863 N/A LEU 30.A N THR 28.A OG1 no hydrogen 3.067 N/A THR 32.A N GLU 25.A OE2 no hydrogen 3.229 N/A THR 32.A OG1 GLU 25.A OE2 no hydrogen 2.798 N/A THR 33.A N ILE 3.A O no hydrogen 3.042 N/A ILE 35.A N ILE 5.A O no hydrogen 2.846 N/A LEU 38.A N ALA 7.A O no hydrogen 3.029 N/A ASN 41.A ND2 THR 68.A OG1 no hydrogen 2.917 N/A VAL 43.A N SER 40.A OG no hydrogen 3.145 N/A GLN 44.A N SER 40.A O no hydrogen 2.962 N/A GLN 44.A NE2 GLN 8.A OE1 no hydrogen 2.859 N/A GLN 44.A NE2 THR 58.A O no hydrogen 2.934 N/A GLN 45.A N ASN 41.A O no hydrogen 2.928 N/A GLN 46.A N ALA 42.A O no hydrogen 2.987 N/A ALA 47.A N VAL 43.A O no hydrogen 3.099 N/A LEU 48.A N GLN 44.A O no hydrogen 3.043 N/A MET 49.A N GLN 45.A O no hydrogen 3.198 N/A ASN 50.A N GLN 46.A O no hydrogen 2.909 N/A GLU 52.A N ASN 50.A OD1 no hydrogen 3.056 N/A ILE 53.A N ALA 47.A O no hydrogen 3.182 N/A ASP 54.A N LYS 4.A O no hydrogen 2.821 N/A ILE 55.A N LYS 4.A O no hydrogen 3.183 N/A ALA 56.A N VAL 215.A O no hydrogen 2.922 N/A ALA 57.A N GLY 6.A O no hydrogen 3.110 N/A THR 58.A OG1 SER 13.A OG no hydrogen 2.667 N/A ARG 59.A N SER 213.A O no hydrogen 2.885 N/A ARG 59.A NE ASN 41.A OD1 no hydrogen 3.390 N/A ARG 59.A NH2 ASN 41.A OD1 no hydrogen 2.821 N/A TYR 60.A OH GLU 12.A OE2 no hydrogen 2.649 N/A THR 61.A N ASP 211.A O no hydrogen 3.073 N/A THR 61.A OG1 PRO 209.A O no hydrogen 3.261 N/A ALA 64.A N TYR 60.A O no hydrogen 3.178 N/A LEU 65.A N THR 61.A O no hydrogen 2.851 N/A THR 66.A OG1 GLY 62.A O no hydrogen 2.827 N/A THR 66.A OG1 ASP 63.A O no hydrogen 3.472 N/A GLY 67.A N ASP 63.A O no hydrogen 3.031 N/A THR 68.A N ALA 64.A O no hydrogen 3.006 N/A LEU 69.A N ALA 64.A O no hydrogen 2.944 N/A ARG 70.A N THR 66.A O no hydrogen 3.123 N/A ARG 70.A NE GLY 67.A O no hydrogen 2.606 N/A ARG 70.A NH2 GLY 67.A O no hydrogen 3.187 N/A MET 71.A N LEU 65.A O no hydrogen 3.034 N/A LYS 75.A NZ GLN 205.A O no hydrogen 2.940 N/A ASP 76.A N GLU 74.A OE1 no hydrogen 2.882 N/A LYS 79.A N ASP 76.A OD2 no hydrogen 2.918 N/A ALA 80.A N ASP 76.A O no hydrogen 2.876 N/A LEU 81.A N PRO 77.A O no hydrogen 2.952 N/A ALA 82.A N ASP 78.A O no hydrogen 3.025 N/A LEU 83.A N LYS 79.A O no hydrogen 2.965 N/A THR 84.A N ALA 80.A O no hydrogen 2.983 N/A THR 84.A OG1 ALA 80.A O no hydrogen 2.809 N/A GLN 85.A N LEU 81.A O no hydrogen 2.895 N/A GLN 85.A NE2 TRP 96.A O no hydrogen 3.064 N/A GLN 85.A NE2 ASP 98.A OD2 no hydrogen 3.107 N/A ARG 86.A N ALA 82.A O no hydrogen 3.021 N/A GLU 87.A N LEU 83.A O no hydrogen 2.885 N/A PHE 88.A N THR 84.A O no hydrogen 2.878 N/A LYS 89.A N GLN 85.A O no hydrogen 3.229 N/A LYS 89.A NZ ASP 93.A OD1 no hydrogen 2.814 N/A LYS 90.A N ARG 86.A O no hydrogen 2.989 N/A ARG 91.A N GLU 87.A O no hydrogen 2.847 N/A ARG 91.A NE GLU 87.A OE2 no hydrogen 2.840 N/A ARG 91.A NH1 LEU 69.A O no hydrogen 3.122 N/A ARG 91.A NH2 GLU 87.A OE2 no hydrogen 3.377 N/A TYR 92.A N PHE 88.A O no hydrogen 3.089 N/A ASP 93.A N LYS 89.A O no hydrogen 3.068 N/A LEU 94.A N PHE 88.A O no hydrogen 3.160 N/A LYS 95.A N VAL 216.A O no hydrogen 2.780 N/A LYS 95.A NZ GLU 228.A OE1 no hydrogen 3.004 N/A LYS 95.A NZ GLU 228.A OE2 no hydrogen 3.183 N/A TYR 97.A N PRO 214.A O no hydrogen 3.115 N/A TYR 97.A OH GLU 228.A OE1 no hydrogen 2.686 N/A SER 99.A OG PHE 102.A O no hydrogen 3.488 N/A SER 99.A OG CYS 212.A O no hydrogen 2.764 N/A TYR 100.A N CYS 212.A O no hydrogen 2.915 N/A TYR 100.A OH ALA 57.A O no hydrogen 2.739 N/A GLY 101.A N SER 99.A OG no hydrogen 3.018 N/A ASN 104.A N TYR 210.A O no hydrogen 3.132 N/A ASN 104.A ND2 GLU 12.A OE2 no hydrogen 2.975 N/A THR 105.A N SER 187.A OG no hydrogen 2.958 N/A THR 105.A OG1 TYR 106.A O no hydrogen 2.871 N/A ALA 107.A N ALA 185.A O no hydrogen 2.877 N/A THR 109.A N VAL 183.A O no hydrogen 2.731 N/A THR 109.A OG1 ALA 107.A O no hydrogen 2.982 N/A VAL 110.A N LYS 198.A O no hydrogen 2.829 N/A LYS 112.A NZ ASP 116.A OD1 no hydrogen 2.783 N/A LEU 114.A N SER 111.A OG no hydrogen 3.025 N/A ALA 115.A N SER 111.A O no hydrogen 3.080 N/A ASP 116.A N LYS 112.A O no hydrogen 2.909 N/A GLN 117.A N GLU 113.A O no hydrogen 2.954 N/A GLN 117.A NE2 TYR 118.A OH no hydrogen 3.022 N/A TYR 118.A N LEU 114.A O no hydrogen 3.054 N/A LEU 120.A N ALA 115.A O no hydrogen 2.932 N/A GLU 121.A N ASP 125.A OD2 no hydrogen 2.841 N/A THR 122.A N ASP 125.A OD2 no hydrogen 3.121 N/A VAL 123.A N LYS 201.A O no hydrogen 2.893 N/A SER 124.A N ASP 203.A OD2 no hydrogen 3.008 N/A SER 124.A OG ASP 203.A OD1 no hydrogen 2.684 N/A SER 124.A OG ASP 203.A OD2 no hydrogen 3.494 N/A ASP 125.A N THR 122.A O no hydrogen 3.204 N/A ASP 125.A N THR 122.A OG1 no hydrogen 3.066 N/A VAL 126.A N VAL 123.A O no hydrogen 2.971 N/A LYS 127.A N SER 124.A O no hydrogen 3.154 N/A TRP 129.A N VAL 126.A O no hydrogen 2.827 N/A ALA 130.A N LYS 127.A O no hydrogen 3.308 N/A GLN 132.A N TRP 129.A O no hydrogen 2.832 N/A LEU 133.A N ALA 130.A O no hydrogen 3.090 N/A LYS 134.A N ASP 181.A OD2 no hydrogen 2.915 N/A LYS 134.A NZ LYS 179.A O no hydrogen 3.042 N/A LEU 135.A N GLY 162.A O no hydrogen 2.936 N/A GLY 136.A N ILE 182.A O no hydrogen 2.815 N/A VAL 137.A N TYR 164.A O no hydrogen 3.246 N/A ASN 139.A ND2 GLN 167.A OE1 no hydrogen 3.444 N/A TYR 140.A N ASP 138.A OD1 no hydrogen 2.903 N/A TRP 141.A N ASP 138.A OD1 no hydrogen 2.842 N/A TRP 141.A NE1 ASN 147.A O no hydrogen 2.560 N/A LYS 143.A N TYR 140.A O no hydrogen 3.129 N/A LEU 144.A N TRP 141.A O no hydrogen 3.269 N/A TYR 149.A N TRP 141.A O no hydrogen 3.267 N/A PHE 152.A N GLY 148.A O no hydrogen 2.980 N/A THR 153.A N TYR 149.A O no hydrogen 3.024 N/A THR 153.A OG1 GLN 150.A O no hydrogen 3.058 N/A LYS 154.A N GLN 150.A O no hydrogen 3.400 N/A THR 155.A N ASP 151.A O no hydrogen 2.900 N/A THR 155.A OG1 ASP 151.A O no hydrogen 3.278 N/A TYR 156.A N PHE 152.A O no hydrogen 2.805 N/A TYR 156.A OH ASP 202.A OD1 no hydrogen 2.650 N/A GLY 157.A N THR 153.A O no hydrogen 2.730 N/A PHE 160.A N TYR 149.A OH no hydrogen 3.147 N/A GLY 161.A N ALA 130.A O no hydrogen 3.039 N/A GLY 162.A N LEU 133.A O no hydrogen 3.277 N/A MET 166.A N VAL 137.A O no hydrogen 2.820 N/A LEU 170.A N GLN 167.A O no hydrogen 2.770 N/A VAL 171.A N ILE 168.A O no hydrogen 3.148 N/A ALA 174.A N LEU 170.A O no hydrogen 3.265 N/A VAL 175.A N VAL 171.A O no hydrogen 3.032 N/A LYS 176.A N TYR 172.A O no hydrogen 3.205 N/A SER 177.A N ASP 173.A O no hydrogen 2.914 N/A SER 177.A OG ASP 173.A O no hydrogen 2.970 N/A SER 177.A OG ALA 174.A O no hydrogen 3.162 N/A GLY 178.A N ALA 174.A O no hydrogen 3.239 N/A GLY 178.A N VAL 175.A O no hydrogen 3.193 N/A MET 180.A N ALA 174.A O no hydrogen 3.185 N/A ASP 181.A N LYS 134.A O no hydrogen 2.921 N/A ILE 182.A N LYS 134.A O no hydrogen 3.102 N/A VAL 183.A N THR 109.A O no hydrogen 2.927 N/A LEU 184.A N GLY 136.A O no hydrogen 3.008 N/A ALA 185.A N ALA 107.A O no hydrogen 2.807 N/A TYR 186.A N TYR 172.A OH no hydrogen 2.938 N/A TYR 186.A OH ASP 138.A OD2 no hydrogen 2.597 N/A SER 187.A N THR 105.A O no hydrogen 2.933 N/A SER 187.A OG ASP 103.A O no hydrogen 3.510 N/A THR 188.A N ASN 104.A OD1 no hydrogen 3.348 N/A THR 188.A OG1 GLU 12.A OE1 no hydrogen 2.503 N/A ASP 189.A N TYR 186.A O no hydrogen 2.958 N/A ARG 191.A N ASP 189.A OD2 no hydrogen 2.854 N/A ARG 191.A NE ASP 189.A OD2 no hydrogen 2.932 N/A ARG 191.A NH2 ASP 189.A OD1 no hydrogen 2.981 N/A ILE 192.A N ASP 189.A O no hydrogen 3.342 N/A SER 194.A N GLY 190.A O no hydrogen 3.385 N/A TYR 195.A N ARG 191.A O no hydrogen 2.934 N/A GLY 196.A N LYS 193.A O no hydrogen 3.100 N/A LEU 197.A N ILE 192.A O no hydrogen 2.886 N/A LYS 198.A N VAL 110.A O no hydrogen 2.791 N/A LYS 198.A NZ GLU 121.A OE1 no hydrogen 2.908 N/A LEU 200.A N PHE 108.A O no hydrogen 2.775 N/A LYS 201.A N GLU 121.A O no hydrogen 2.879 N/A LYS 204.A N TYR 156.A OH no hydrogen 2.926 N/A LYS 204.A NZ THR 155.A O no hydrogen 3.154 N/A GLN 205.A N ASP 202.A O no hydrogen 2.956 N/A PHE 206.A N ASP 202.A OD1 no hydrogen 2.967 N/A PHE 207.A N ASP 202.A OD2 no hydrogen 2.870 N/A CYS 212.A N PHE 102.A O no hydrogen 3.046 N/A CYS 212.A SG ARG 59.A O no hydrogen 3.809 N/A SER 213.A N ARG 59.A O no hydrogen 2.907 N/A SER 213.A OG TYR 97.A O no hydrogen 2.701 N/A VAL 215.A N ALA 56.A O no hydrogen 3.028 N/A VAL 216.A N LYS 95.A O no hydrogen 2.999 N/A GLU 218.A N ASP 93.A O no hydrogen 3.009 N/A LYS 219.A NZ GLU 223.A OE1 no hydrogen 3.525 N/A LYS 219.A NZ GLU 223.A OE2 no hydrogen 2.669 N/A VAL 220.A N PRO 217.A O no hydrogen 2.990 N/A LEU 221.A N PRO 217.A O no hydrogen 3.289 N/A LYS 222.A N GLU 218.A O no hydrogen 2.988 N/A GLU 223.A N LYS 219.A O no hydrogen 3.072 N/A HIS 224.A N VAL 220.A O no hydrogen 3.000 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.667 N/A LEU 227.A N HIS 224.A O no hydrogen 2.953 N/A ILE 230.A N LEU 227.A O no hydrogen 3.026 N/A ILE 231.A N LEU 227.A O no hydrogen 2.897 N/A LYS 232.A N GLU 228.A O no hydrogen 3.028 N/A LYS 232.A NZ GLU 228.A OE2 no hydrogen 2.543 N/A LYS 233.A N ILE 230.A O no hydrogen 2.971 N/A MET 234.A N ILE 231.A O no hydrogen 3.081 N/A LEU 235.A N LYS 232.A O no hydrogen 3.115 N/A GLY 236.A N SER 99.A O no hydrogen 2.908 N/A LYS 237.A NZ LYS 233.A O no hydrogen 2.870 N/A ILE 238.A N TYR 100.A O no hydrogen 2.916 N/A THR 240.A OG1 ASP 103.A OD2 no hydrogen 3.486 N/A THR 242.A N ASP 239.A OD2 no hydrogen 2.841 N/A THR 242.A OG1 ASP 239.A OD2 no hydrogen 2.875 N/A MET 243.A N ASP 239.A O no hydrogen 2.945 N/A GLN 244.A N THR 240.A O no hydrogen 2.962 N/A GLN 244.A NE2 SER 187.A O no hydrogen 3.000 N/A GLU 245.A N ALA 241.A O no hydrogen 3.176 N/A LEU 246.A N THR 242.A O no hydrogen 3.038 N/A ASN 247.A N MET 243.A O no hydrogen 2.857 N/A ASN 247.A ND2 GLU 12.A OE1 no hydrogen 3.206 N/A ASN 247.A ND2 THR 188.A O no hydrogen 2.947 N/A TYR 248.A N GLN 244.A O no hydrogen 2.933 N/A GLU 249.A N GLU 245.A O no hydrogen 3.058 N/A VAL 250.A N LEU 246.A O no hydrogen 3.371 N/A ASP 251.A N ASN 247.A O no hydrogen 2.743 N/A GLY 252.A N TYR 248.A O no hydrogen 2.675 N/A ASN 253.A N TYR 248.A O no hydrogen 2.998 N/A LYS 255.A N GLU 249.A O no hydrogen 3.045 N/A VAL 260.A N GLU 256.A O no hydrogen 3.022 N/A ALA 261.A N PRO 257.A O no hydrogen 2.903 N/A LYS 262.A N SER 258.A O no hydrogen 3.007 N/A GLU 263.A N VAL 259.A O no hydrogen 2.909 N/A TYR 264.A N VAL 260.A O no hydrogen 3.042 N/A LEU 265.A N ALA 261.A O no hydrogen 3.051 N/A GLU 266.A N LYS 262.A O no hydrogen 2.877 N/A LYS 267.A N GLU 263.A O no hydrogen 2.966 N/A HIS 268.A N TYR 264.A O no hydrogen 2.956 N/A ARG 269.A N GLU 266.A O no hydrogen 3.199 N/A TYR 270.A N LEU 265.A O no hydrogen 2.849 N/A PHE 271.A N HIS 268.A O no hydrogen 2.955 N/A GLU 272.A N ARG 269.A O no hydrogen 3.236 N/A