Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9gfu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N GLN 201.A OE1 no hydrogen 3.205 N/A LEU 7.A N GLU 3.A O no hydrogen 2.964 N/A ARG 8.A N SER 4.A O no hydrogen 2.800 N/A ARG 8.A NH1 GLN 206.A OE1 no hydrogen 2.710 N/A ARG 8.A NH2 GLN 206.A OE1 no hydrogen 3.283 N/A ALA 9.A N ALA 5.A O no hydrogen 2.904 N/A LEU 10.A N ASP 6.A O no hydrogen 2.936 N/A ALA 11.A N LEU 7.A O no hydrogen 3.001 N/A LYS 12.A N ARG 8.A O no hydrogen 2.950 N/A HIS 13.A N ALA 9.A O no hydrogen 3.047 N/A HIS 13.A NE2 SER 88.A O no hydrogen 2.651 N/A LEU 14.A N LEU 10.A O no hydrogen 2.885 N/A TYR 15.A N ALA 11.A O no hydrogen 2.987 N/A ASP 16.A N LYS 12.A O no hydrogen 2.901 N/A SER 17.A N HIS 13.A O no hydrogen 3.043 N/A SER 17.A OG HIS 13.A O no hydrogen 2.844 N/A TYR 18.A N LEU 14.A O no hydrogen 2.891 N/A TYR 18.A OH ASP 167.A OD1 no hydrogen 2.734 N/A ILE 19.A N TYR 15.A O no hydrogen 3.049 N/A LYS 20.A N ASP 16.A O no hydrogen 3.045 N/A LYS 20.A NZ ASP 16.A OD1 no hydrogen 2.578 N/A LYS 20.A NZ ASP 16.A OD2 no hydrogen 3.276 N/A SER 21.A N SER 17.A O no hydrogen 2.736 N/A SER 21.A N TYR 18.A O no hydrogen 3.095 N/A SER 21.A OG SER 17.A O no hydrogen 2.994 N/A PHE 22.A N TYR 18.A O no hydrogen 2.867 N/A LYS 26.A N ASP 167.A OD1 no hydrogen 2.881 N/A LYS 26.A NZ LEU 165.A O no hydrogen 2.684 N/A ALA 27.A N ASP 167.A OD2 no hydrogen 2.970 N/A LYS 28.A N THR 25.A OG1 no hydrogen 3.163 N/A ALA 29.A N THR 25.A O no hydrogen 2.915 N/A ARG 30.A N LYS 26.A O no hydrogen 2.777 N/A ARG 30.A NH1 MET 120.A O no hydrogen 3.244 N/A ARG 30.A NH2 SER 118.A O no hydrogen 2.745 N/A ARG 30.A NH2 MET 120.A O no hydrogen 2.438 N/A ALA 31.A N ALA 27.A O no hydrogen 3.084 N/A ILE 32.A N LYS 28.A O no hydrogen 3.001 N/A LEU 33.A N ALA 29.A O no hydrogen 2.839 N/A THR 34.A N ARG 30.A O no hydrogen 2.890 N/A THR 34.A OG1 ARG 30.A O no hydrogen 3.206 N/A GLY 35.A N ALA 31.A O no hydrogen 3.306 N/A THR 37.A OG1 GLY 35.A O no hydrogen 3.132 N/A LYS 40.A NZ ASP 39.A OD2 no hydrogen 3.351 N/A SER 41.A OG THR 37.A O no hydrogen 3.265 N/A PHE 43.A N GLN 131.A O no hydrogen 3.080 N/A ILE 45.A N PHE 133.A O no hydrogen 2.705 N/A TYR 46.A N SER 50.A OG no hydrogen 2.851 N/A ASP 47.A N SER 50.A OG no hydrogen 2.923 N/A SER 50.A N ASP 47.A OD1 no hydrogen 2.781 N/A SER 50.A OG ASP 47.A O no hydrogen 3.141 N/A SER 50.A OG ASP 47.A OD1 no hydrogen 2.570 N/A LEU 51.A N ASP 47.A O no hydrogen 3.003 N/A MET 52.A N MET 48.A O no hydrogen 3.174 N/A MET 53.A N ASN 49.A O no hydrogen 3.054 N/A GLY 54.A N SER 50.A O no hydrogen 2.708 N/A GLU 55.A N LEU 51.A O no hydrogen 2.945 N/A ASP 56.A N MET 52.A O no hydrogen 3.259 N/A ASP 56.A N MET 53.A O no hydrogen 3.240 N/A LYS 57.A N MET 53.A O no hydrogen 2.946 N/A ILE 58.A N GLY 54.A O no hydrogen 2.598 N/A ARG 66.A N GLU 62.A O no hydrogen 2.927 N/A ARG 66.A NE GLU 55.A OE2 no hydrogen 3.064 N/A ARG 66.A NH1 LYS 61.A O no hydrogen 3.381 N/A ARG 66.A NH2 GLU 55.A OE1 no hydrogen 2.642 N/A ARG 66.A NH2 GLU 55.A OE2 no hydrogen 2.961 N/A ILE 67.A N VAL 63.A O no hydrogen 2.963 N/A PHE 68.A N ALA 64.A O no hydrogen 2.999 N/A GLN 69.A N ILE 65.A O no hydrogen 2.845 N/A GLY 70.A N ARG 66.A O no hydrogen 3.059 N/A CYS 71.A N ILE 67.A O no hydrogen 2.892 N/A CYS 71.A SG ILE 67.A O no hydrogen 3.483 N/A GLN 72.A N PHE 68.A O no hydrogen 2.893 N/A PHE 73.A N GLN 69.A O no hydrogen 2.947 N/A ARG 74.A N GLY 70.A O no hydrogen 3.275 N/A ARG 74.A NH1 GLU 77.A OE1 no hydrogen 2.991 N/A ARG 74.A NH1 GLU 81.A OE2 no hydrogen 2.911 N/A ARG 74.A NH2 GLU 81.A OE1 no hydrogen 3.153 N/A SER 75.A N CYS 71.A O no hydrogen 2.794 N/A SER 75.A OG CYS 71.A O no hydrogen 3.275 N/A VAL 76.A N GLN 72.A O no hydrogen 2.752 N/A GLU 77.A N PHE 73.A O no hydrogen 3.142 N/A ALA 78.A N ARG 74.A O no hydrogen 2.777 N/A VAL 79.A N SER 75.A O no hydrogen 2.874 N/A GLN 80.A N VAL 76.A O no hydrogen 3.105 N/A GLU 81.A N GLU 77.A O no hydrogen 2.889 N/A ILE 82.A N ALA 78.A O no hydrogen 2.690 N/A THR 83.A N VAL 79.A O no hydrogen 2.781 N/A THR 83.A OG1 VAL 79.A O no hydrogen 2.904 N/A GLU 84.A N GLN 80.A O no hydrogen 3.020 N/A TYR 85.A N GLU 81.A O no hydrogen 2.885 N/A TYR 85.A OH ALA 171.A O no hydrogen 2.447 N/A ALA 86.A N ILE 82.A O no hydrogen 2.855 N/A LYS 87.A N THR 83.A O no hydrogen 3.326 N/A SER 88.A N TYR 85.A O no hydrogen 2.956 N/A SER 88.A OG TYR 85.A O no hydrogen 2.536 N/A ILE 89.A N ALA 86.A O no hydrogen 2.761 N/A PHE 92.A N ILE 89.A O no hydrogen 2.873 N/A ASN 94.A N GLY 91.A O no hydrogen 3.139 N/A LEU 95.A N PHE 92.A O no hydrogen 3.083 N/A ASN 98.A N ASP 96.A OD1 no hydrogen 2.859 N/A ASP 99.A N ASP 96.A OD1 no hydrogen 3.417 N/A GLN 100.A N ASP 96.A O no hydrogen 3.004 N/A GLN 100.A NE2 LEU 95.A O no hydrogen 2.920 N/A VAL 101.A N LEU 97.A O no hydrogen 3.191 N/A THR 102.A N ASN 98.A O no hydrogen 2.976 N/A THR 102.A OG1 ASN 98.A O no hydrogen 3.018 N/A LEU 103.A N ASP 99.A O no hydrogen 2.795 N/A LEU 104.A N GLN 100.A O no hydrogen 3.046 N/A LYS 105.A N VAL 101.A O no hydrogen 2.691 N/A TYR 106.A N THR 102.A O no hydrogen 3.159 N/A GLY 107.A N LEU 103.A O no hydrogen 2.908 N/A GLY 107.A N LEU 104.A O no hydrogen 3.138 N/A VAL 108.A N LEU 104.A O no hydrogen 3.051 N/A HIS 109.A NE2 TYR 259.A OH no hydrogen 2.570 N/A ILE 111.A N GLY 107.A O no hydrogen 3.126 N/A ILE 112.A N VAL 108.A O no hydrogen 2.753 N/A TYR 113.A N HIS 109.A O no hydrogen 3.132 N/A THR 114.A N GLU 110.A O no hydrogen 3.134 N/A THR 114.A OG1 GLU 110.A O no hydrogen 2.822 N/A MET 115.A N ILE 111.A O no hydrogen 2.848 N/A LEU 116.A N ILE 112.A O no hydrogen 2.623 N/A ALA 117.A N TYR 113.A O no hydrogen 3.221 N/A SER 118.A N MET 115.A O no hydrogen 3.188 N/A LEU 119.A N LEU 116.A O no hydrogen 2.904 N/A MET 120.A N ALA 117.A O no hydrogen 3.017 N/A ASN 121.A N GLY 124.A O no hydrogen 3.069 N/A LYS 122.A NZ ASP 123.A OD1 no hydrogen 3.435 N/A LYS 122.A NZ ASP 123.A OD2 no hydrogen 3.444 N/A ASP 123.A N ASN 121.A OD1 no hydrogen 2.757 N/A GLY 124.A N ASN 121.A O no hydrogen 3.401 N/A GLY 124.A N ASN 121.A OD1 no hydrogen 3.109 N/A VAL 125.A N MET 134.A O no hydrogen 2.990 N/A LEU 126.A N LEU 119.A O no hydrogen 2.931 N/A ILE 127.A N GLY 132.A O no hydrogen 2.883 N/A SER 128.A OG GLN 131.A OE1 no hydrogen 2.902 N/A GLN 131.A N SER 128.A O no hydrogen 3.049 N/A GLY 132.A N ILE 127.A O no hydrogen 3.088 N/A PHE 133.A N PHE 43.A O no hydrogen 2.843 N/A MET 134.A N VAL 125.A O no hydrogen 2.990 N/A THR 135.A N ILE 45.A O no hydrogen 2.941 N/A ARG 136.A N ASP 123.A O no hydrogen 2.718 N/A ARG 136.A NE GLU 151.A OE1 no hydrogen 2.957 N/A ARG 136.A NE GLU 151.A OE2 no hydrogen 3.337 N/A ARG 136.A NH1 LYS 122.A O no hydrogen 3.270 N/A ARG 136.A NH2 GLU 151.A OE2 no hydrogen 2.692 N/A PHE 138.A N THR 135.A OG1 no hydrogen 3.283 N/A LEU 139.A N THR 135.A O no hydrogen 3.235 N/A LYS 140.A N ARG 136.A O no hydrogen 2.866 N/A SER 141.A N GLU 137.A O no hydrogen 3.040 N/A SER 141.A OG GLU 137.A O no hydrogen 3.491 N/A SER 141.A OG PHE 138.A O no hydrogen 3.137 N/A LEU 142.A N LEU 139.A O no hydrogen 3.396 N/A ARG 143.A NE GLU 62.A OE2 no hydrogen 2.329 N/A ARG 143.A NH1 GLU 246.A OE1 no hydrogen 3.354 N/A ARG 143.A NH1 GLU 246.A OE2 no hydrogen 3.010 N/A ARG 143.A NH2 GLU 62.A OE1 no hydrogen 2.696 N/A ARG 143.A NH2 GLU 246.A OE1 no hydrogen 2.795 N/A PHE 146.A N ARG 143.A O no hydrogen 3.024 N/A PHE 149.A N PRO 145.A O no hydrogen 3.120 N/A MET 150.A N PHE 146.A O no hydrogen 3.069 N/A MET 150.A N GLY 147.A O no hydrogen 3.321 N/A GLU 151.A N GLY 147.A O no hydrogen 3.387 N/A LYS 153.A N MET 150.A O no hydrogen 3.233 N/A LYS 153.A NZ PHE 149.A O no hydrogen 2.849 N/A LYS 153.A NZ HIS 235.A ND1 no hydrogen 3.008 N/A GLU 155.A N GLU 151.A O no hydrogen 2.987 N/A PHE 156.A N PRO 152.A O no hydrogen 2.890 N/A ALA 157.A N LYS 153.A O no hydrogen 3.055 N/A VAL 158.A N PHE 154.A O no hydrogen 3.014 N/A PHE 160.A N PHE 156.A O no hydrogen 2.879 N/A ASN 161.A N ALA 157.A O no hydrogen 2.792 N/A ASN 161.A ND2 ALA 117.A O no hydrogen 2.901 N/A ALA 162.A N LYS 159.A O no hydrogen 3.112 N/A LEU 163.A N PHE 160.A O no hydrogen 2.972 N/A GLU 164.A N ASN 161.A O no hydrogen 3.059 N/A ASP 166.A N ASP 169.A OD2 no hydrogen 3.021 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.680 N/A ASP 169.A N ASP 166.A OD1 no hydrogen 3.093 N/A LEU 170.A N ASP 166.A O no hydrogen 2.879 N/A ALA 171.A N ASP 167.A O no hydrogen 2.831 N/A ILE 172.A N ASP 169.A O no hydrogen 3.163 N/A PHE 173.A N ASP 169.A O no hydrogen 3.136 N/A ILE 174.A N LEU 170.A O no hydrogen 2.873 N/A ALA 175.A N ALA 171.A O no hydrogen 3.375 N/A VAL 176.A N ILE 172.A O no hydrogen 2.909 N/A ILE 177.A N PHE 173.A O no hydrogen 3.059 N/A ILE 178.A N ILE 174.A O no hydrogen 3.188 N/A LEU 179.A N ALA 175.A O no hydrogen 3.221 N/A SER 180.A N ILE 178.A O no hydrogen 2.878 N/A SER 180.A OG ILE 177.A O no hydrogen 2.630 N/A ARG 183.A NH1 GLU 110.A OE1 no hydrogen 3.555 N/A ARG 183.A NH1 GLU 110.A OE2 no hydrogen 2.942 N/A ARG 183.A NH2 GLU 110.A OE1 no hydrogen 2.874 N/A ARG 183.A NH2 ILE 177.A O no hydrogen 3.305 N/A LEU 187.A N ASP 99.A OD1 no hydrogen 2.703 N/A ASN 188.A N ASP 99.A OD2 no hydrogen 2.948 N/A LYS 190.A NZ ASP 194.A OD1 no hydrogen 3.275 N/A LYS 190.A NZ ASP 194.A OD2 no hydrogen 3.238 N/A GLU 193.A N VAL 189.A O no hydrogen 3.040 N/A ASP 194.A N LYS 190.A O no hydrogen 2.984 N/A ILE 195.A N PRO 191.A O no hydrogen 3.181 N/A GLN 196.A N ILE 192.A O no hydrogen 2.886 N/A ASP 197.A N GLU 193.A O no hydrogen 2.718 N/A ASN 198.A N ASP 194.A O no hydrogen 3.315 N/A LEU 199.A N ILE 195.A O no hydrogen 2.960 N/A LEU 200.A N GLN 196.A O no hydrogen 2.608 N/A GLN 201.A N ASP 197.A O no hydrogen 2.953 N/A GLN 201.A NE2 ASP 197.A O no hydrogen 3.619 N/A ALA 202.A N ASN 198.A O no hydrogen 2.905 N/A LEU 203.A N LEU 199.A O no hydrogen 2.796 N/A GLU 204.A N LEU 200.A O no hydrogen 2.862 N/A LEU 205.A N GLN 201.A O no hydrogen 3.153 N/A GLN 206.A N ALA 202.A O no hydrogen 2.902 N/A GLN 206.A NE2 ASP 169.A OD1 no hydrogen 2.873 N/A LEU 207.A N LEU 203.A O no hydrogen 2.901 N/A LYS 208.A N GLU 204.A O no hydrogen 3.131 N/A LEU 209.A N LEU 205.A O no hydrogen 3.008 N/A ASN 210.A N GLN 206.A O no hydrogen 2.813 N/A ASN 210.A ND2 ASP 166.A OD2 no hydrogen 2.938 N/A ASN 210.A ND2 ASP 169.A OD1 no hydrogen 2.922 N/A ASN 210.A ND2 ASP 169.A OD2 no hydrogen 2.982 N/A HIS 211.A N LEU 207.A O no hydrogen 3.008 N/A HIS 211.A NE2 ASP 169.A OD2 no hydrogen 2.589 N/A SER 214.A N HIS 211.A O no hydrogen 2.965 N/A LEU 217.A N SER 214.A O no hydrogen 3.363 N/A LYS 220.A N GLN 216.A O no hydrogen 3.033 N/A LEU 221.A N LEU 217.A O no hydrogen 2.841 N/A LEU 222.A N PHE 218.A O no hydrogen 3.014 N/A GLN 223.A N ALA 219.A O no hydrogen 3.077 N/A LYS 224.A N LYS 220.A O no hydrogen 3.217 N/A LYS 224.A NZ ASP 227.A OD1 no hydrogen 3.334 N/A MET 225.A N LEU 221.A O no hydrogen 3.099 N/A ASP 227.A N GLN 223.A O no hydrogen 3.162 N/A LEU 228.A N LYS 224.A O no hydrogen 3.120 N/A ARG 229.A N THR 226.A O no hydrogen 3.205 N/A ARG 229.A NH2 ASP 182.A OD1 no hydrogen 3.276 N/A ARG 229.A NH2 ASP 182.A OD2 no hydrogen 3.252 N/A GLN 230.A N ASP 227.A O no hydrogen 2.943 N/A ILE 231.A N ASP 227.A O no hydrogen 3.154 N/A VAL 232.A N LEU 228.A O no hydrogen 2.860 N/A THR 233.A N ARG 229.A O no hydrogen 3.312 N/A THR 233.A OG1 ARG 229.A O no hydrogen 3.517 N/A THR 233.A OG1 GLN 230.A O no hydrogen 2.701 N/A GLU 234.A N GLN 230.A O no hydrogen 2.815 N/A HIS 235.A N ILE 231.A O no hydrogen 3.083 N/A HIS 235.A NE2 TYR 259.A OH no hydrogen 3.275 N/A VAL 236.A N VAL 232.A O no hydrogen 2.814 N/A GLN 237.A N THR 233.A O no hydrogen 2.946 N/A LEU 238.A N GLU 234.A O no hydrogen 3.040 N/A LEU 239.A N HIS 235.A O no hydrogen 2.797 N/A GLN 240.A N VAL 236.A O no hydrogen 2.958 N/A VAL 241.A N GLN 237.A O no hydrogen 2.849 N/A ILE 242.A N LEU 238.A O no hydrogen 2.676 N/A LYS 243.A N LEU 239.A O no hydrogen 2.918 N/A LYS 244.A N GLN 240.A O no hydrogen 3.192 N/A THR 245.A N ILE 242.A O no hydrogen 2.866 N/A GLU 246.A N ILE 242.A O no hydrogen 2.958 N/A MET 249.A N GLU 246.A O no hydrogen 3.425 N/A HIS 252.A N GLN 72.A OE1 no hydrogen 3.051 N/A LEU 254.A N HIS 252.A ND1 no hydrogen 3.026 N/A GLN 256.A N HIS 252.A O no hydrogen 2.786 N/A GLN 256.A NE2 LEU 251.A O no hydrogen 3.643 N/A GLU 257.A N PRO 253.A O no hydrogen 2.912 N/A ILE 258.A N LEU 254.A O no hydrogen 3.224 N/A TYR 259.A N LEU 255.A O no hydrogen 3.060 N/A TYR 259.A OH HIS 109.A NE2 no hydrogen 2.570 N/A TYR 259.A OH HIS 235.A NE2 no hydrogen 3.275 N/A LYS 260.A N GLU 257.A O no hydrogen 3.285 N/A