Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fuw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N VAL 26.A O no hydrogen 3.238 N/A SER 1.A OG GLN 3.A OE1 no hydrogen 3.249 N/A GLN 3.A N SER 1.A OG no hydrogen 3.118 N/A SER 4.A OG SER 1.A O no hydrogen 2.920 N/A VAL 5.A N SER 1.A O no hydrogen 3.238 N/A ARG 6.A N PRO 2.A O no hydrogen 3.003 N/A ALA 7.A N GLN 3.A O no hydrogen 2.728 N/A LEU 8.A N SER 4.A O no hydrogen 2.768 N/A LEU 9.A N VAL 5.A O no hydrogen 2.968 N/A GLU 10.A N ARG 6.A O no hydrogen 2.934 N/A ARG 11.A N ALA 7.A O no hydrogen 2.825 N/A ARG 11.A NH1 GLU 81.A OE2 no hydrogen 2.847 N/A ARG 11.A NH2 GLU 81.A OE1 no hydrogen 2.804 N/A ARG 11.A NH2 GLU 81.A OE2 no hydrogen 3.372 N/A HIS 12.A N LEU 8.A O no hydrogen 3.181 N/A HIS 12.A NE2 GLU 81.A OE1 no hydrogen 2.977 N/A GLY 13.A N GLU 10.A O no hydrogen 3.126 N/A LEU 14.A N LEU 9.A O no hydrogen 2.853 N/A ASP 17.A N GLN 22.A OE1 no hydrogen 2.813 N/A ARG 19.A N ASP 17.A OD1 no hydrogen 2.883 N/A PHE 20.A N ASP 17.A O no hydrogen 2.948 N/A GLY 21.A N LYS 18.A O no hydrogen 3.014 N/A GLN 22.A N ASP 17.A O no hydrogen 3.334 N/A GLN 22.A NE2 ASP 72.A OD2 no hydrogen 2.869 N/A ASN 23.A ND2 PRO 181.A O no hydrogen 2.764 N/A PHE 24.A N PHE 180.A O no hydrogen 2.873 N/A VAL 26.A N ALA 178.A O no hydrogen 2.953 N/A HIS 30.A N SER 27.A OG no hydrogen 3.362 N/A LEU 31.A N SER 27.A O no hydrogen 3.069 N/A ARG 32.A N GLU 28.A O no hydrogen 2.910 N/A ARG 32.A NH2 GLU 36.A OE2 no hydrogen 2.746 N/A ARG 33.A N ALA 29.A O no hydrogen 3.040 N/A ILE 34.A N HIS 30.A O no hydrogen 3.003 N/A VAL 35.A N LEU 31.A O no hydrogen 3.019 N/A GLU 36.A N ARG 32.A O no hydrogen 2.861 N/A ALA 37.A N ARG 33.A O no hydrogen 2.983 N/A ALA 38.A N ILE 34.A O no hydrogen 3.158 N/A ALA 38.A N VAL 35.A O no hydrogen 3.108 N/A ARG 39.A N VAL 35.A O no hydrogen 2.947 N/A THR 42.A N PRO 40.A O no hydrogen 2.981 N/A VAL 45.A N GLU 65.A O no hydrogen 2.769 N/A PHE 46.A N LEU 108.A O no hydrogen 2.797 N/A GLU 47.A N THR 67.A O no hydrogen 2.871 N/A GLY 49.A N ILE 69.A O no hydrogen 2.869 N/A GLY 51.A N GLU 70.A OE1 no hydrogen 3.156 N/A GLY 53.A N PRO 50.A O no hydrogen 2.856 N/A THR 56.A OG1 GLU 47.A OE1 no hydrogen 2.634 N/A THR 56.A OG1 GLU 47.A OE2 no hydrogen 3.536 N/A ARG 57.A N GLY 53.A O no hydrogen 2.892 N/A ALA 58.A N ALA 54.A O no hydrogen 3.284 N/A LEU 59.A N LEU 55.A O no hydrogen 2.834 N/A LEU 60.A N THR 56.A O no hydrogen 2.925 N/A GLU 61.A N ARG 57.A O no hydrogen 2.896 N/A ALA 62.A N ALA 58.A O no hydrogen 3.105 N/A ALA 62.A N LEU 59.A O no hydrogen 3.129 N/A GLY 63.A N LEU 60.A O no hydrogen 2.933 N/A ALA 64.A N LEU 59.A O no hydrogen 3.050 N/A THR 67.A N VAL 45.A O no hydrogen 2.902 N/A ALA 68.A N ARG 89.A O no hydrogen 2.882 N/A ILE 69.A N GLU 47.A O no hydrogen 2.832 N/A GLU 70.A N VAL 91.A O no hydrogen 2.863 N/A LYS 71.A NZ ASP 94.A OD2 no hydrogen 3.219 N/A ASP 72.A N GLU 70.A OE2 no hydrogen 2.933 N/A ARG 74.A N ASP 72.A OD1 no hydrogen 3.004 N/A ARG 74.A NE ASP 72.A OD1 no hydrogen 2.954 N/A ARG 74.A NE ASP 72.A OD2 no hydrogen 3.307 N/A ARG 74.A NH2 ASP 17.A OD2 no hydrogen 2.785 N/A ARG 74.A NH2 ASP 72.A OD2 no hydrogen 3.045 N/A LEU 75.A N ASP 72.A O no hydrogen 2.967 N/A ARG 76.A N LEU 73.A O no hydrogen 3.078 N/A LEU 79.A N LEU 75.A O no hydrogen 3.001 N/A GLU 80.A N ARG 76.A O no hydrogen 2.888 N/A GLU 81.A N PRO 77.A O no hydrogen 2.979 N/A THR 82.A N VAL 78.A O no hydrogen 2.774 N/A THR 82.A OG1 LEU 52.A O no hydrogen 2.906 N/A THR 82.A OG1 VAL 78.A O no hydrogen 3.044 N/A LEU 83.A N LEU 79.A O no hydrogen 2.898 N/A SER 84.A N GLU 81.A O no hydrogen 3.315 N/A LEU 86.A N LEU 83.A O no hydrogen 2.961 N/A VAL 88.A N LEU 86.A O no hydrogen 2.919 N/A ARG 89.A N VAL 66.A O no hydrogen 3.043 N/A ARG 89.A NH2 TYR 98.A OH no hydrogen 2.855 N/A VAL 91.A N ALA 68.A O no hydrogen 2.796 N/A GLN 93.A N GLU 70.A O no hydrogen 3.058 N/A LEU 96.A N ASP 94.A OD1 no hydrogen 2.831 N/A LEU 97.A N ASP 94.A O no hydrogen 2.909 N/A TYR 98.A N ALA 95.A O no hydrogen 3.268 N/A TRP 100.A N TYR 98.A O no hydrogen 2.856 N/A TRP 100.A NE1 ALA 95.A O no hydrogen 2.809 N/A GLU 102.A N PRO 99.A O no hydrogen 3.223 N/A VAL 103.A N TRP 100.A O no hydrogen 3.318 N/A GLN 105.A NE2 GLY 129.A O no hydrogen 3.024 N/A GLY 106.A N ARG 130.A O no hydrogen 2.754 N/A SER 107.A N PRO 104.A O no hydrogen 3.148 N/A SER 107.A OG PRO 104.A O no hydrogen 2.728 N/A LEU 108.A N PRO 44.A O no hydrogen 2.817 N/A LEU 109.A N ARG 133.A O no hydrogen 3.131 N/A VAL 110.A N PHE 46.A O no hydrogen 2.998 N/A ALA 111.A N VAL 135.A O no hydrogen 3.075 N/A ASN 112.A ND2 ASN 23.A O no hydrogen 3.076 N/A ILE 117.A N PRO 114.A O no hydrogen 3.206 N/A ALA 118.A N PRO 114.A O no hydrogen 3.267 N/A LEU 121.A N ILE 117.A O no hydrogen 2.884 N/A VAL 122.A N ALA 118.A O no hydrogen 2.851 N/A THR 123.A N THR 119.A O no hydrogen 3.025 N/A THR 123.A OG1 THR 119.A O no hydrogen 2.823 N/A ARG 124.A N PRO 120.A O no hydrogen 2.990 N/A ARG 124.A NE GLU 101.A OE2 no hydrogen 2.869 N/A ARG 124.A NH2 GLU 101.A OE1 no hydrogen 2.898 N/A LEU 125.A N.A LEU 121.A O no hydrogen 2.915 N/A LEU 125.A N.B LEU 121.A O no hydrogen 2.924 N/A LEU 126.A N VAL 122.A O no hydrogen 2.923 N/A LYS 127.A N THR 123.A O no hydrogen 3.052 N/A THR 128.A N ARG 124.A O no hydrogen 3.202 N/A THR 128.A N LEU 125.A O.A no hydrogen 3.147 N/A THR 128.A N LEU 125.A O.B no hydrogen 3.311 N/A THR 128.A OG1 LEU 125.A O.A no hydrogen 2.690 N/A THR 128.A OG1 LEU 125.A O.B no hydrogen 2.754 N/A GLY 129.A N LEU 126.A O no hydrogen 3.224 N/A ARG 130.A N THR 128.A OG1 no hydrogen 3.072 N/A ARG 130.A NH1 VAL 103.A O no hydrogen 2.836 N/A ALA 132.A N SER 107.A O no hydrogen 2.786 N/A ARG 133.A NE ALA 38.A O no hydrogen 2.994 N/A ARG 133.A NH2 ALA 38.A O no hydrogen 2.880 N/A LEU 134.A N LEU 192.A O no hydrogen 2.830 N/A VAL 135.A N LEU 109.A O no hydrogen 2.774 N/A PHE 136.A N VAL 190.A O no hydrogen 2.990 N/A LEU 137.A N ALA 111.A O no hydrogen 3.034 N/A VAL 138.A N SER 188.A O no hydrogen 3.103 N/A LYS 140.A N TRP 186.A O no hydrogen 2.844 N/A LYS 140.A NZ GLU 144.A OE2 no hydrogen 3.159 N/A ALA 143.A N GLN 139.A O no hydrogen 3.013 N/A GLU 144.A N LYS 140.A O no hydrogen 2.859 N/A ARG 145.A N GLU 141.A O no hydrogen 3.101 N/A ARG 145.A NH2 GLU 141.A OE2 no hydrogen 2.972 N/A MET 146.A N VAL 142.A O no hydrogen 2.966 N/A THR 147.A N ALA 143.A O no hydrogen 3.037 N/A THR 147.A N GLU 144.A O no hydrogen 3.344 N/A THR 147.A OG1 ALA 143.A O no hydrogen 2.723 N/A ALA 148.A N ARG 145.A O no hydrogen 3.506 N/A LYS 151.A N GLU 248.A O no hydrogen 2.536 N/A THR 152.A OG1 ARG 149.A O no hydrogen 2.541 N/A TYR 155.A N THR 152.A O no hydrogen 3.121 N/A TYR 155.A OH LEU 250.A O no hydrogen 2.606 N/A GLY 156.A N THR 159.A OG1 no hydrogen 3.052 N/A THR 159.A OG1 ARG 145.A O no hydrogen 2.618 N/A THR 159.A OG1 GLY 156.A O no hydrogen 3.467 N/A LEU 160.A N GLY 156.A O no hydrogen 3.120 N/A ARG 161.A N VAL 157.A O no hydrogen 2.762 N/A ARG 161.A NH1 HIS 165.A NE2 no hydrogen 3.043 N/A ARG 161.A NH1 ASP 199.A OD1 no hydrogen 2.664 N/A ARG 161.A NH2 ASP 199.A OD1 no hydrogen 3.312 N/A VAL 162.A N LEU 158.A O no hydrogen 2.920 N/A ALA 163.A N THR 159.A O no hydrogen 2.939 N/A HIS 164.A N LEU 160.A O no hydrogen 2.972 N/A HIS 164.A NE2 LEU 198.A O no hydrogen 2.758 N/A HIS 165.A N VAL 162.A O no hydrogen 3.081 N/A HIS 165.A ND1 ALA 197.A O no hydrogen 2.877 N/A ALA 166.A N ALA 163.A O no hydrogen 3.415 N/A VAL 167.A N.A THR 193.A O no hydrogen 3.046 N/A VAL 167.A N.B THR 193.A O no hydrogen 3.003 N/A GLU 169.A N ARG 191.A O no hydrogen 2.895 N/A ARG 170.A NE ASP 173.A OD1 no hydrogen 2.835 N/A ARG 170.A NH2 ASP 173.A OD1 no hydrogen 3.536 N/A ARG 170.A NH2 ASP 173.A OD2 no hydrogen 2.939 N/A LEU 171.A N LEU 189.A O no hydrogen 2.798 N/A LEU 174.A N SER 187.A O no hydrogen 2.782 N/A ALA 178.A N PRO 175.A O no hydrogen 3.050 N/A PHE 179.A N PRO 176.A O no hydrogen 3.104 N/A PHE 180.A N PHE 24.A O no hydrogen 2.801 N/A SER 187.A N LEU 174.A O no hydrogen 2.885 N/A SER 188.A N VAL 138.A O no hydrogen 2.816 N/A SER 188.A OG ASP 173.A OD1 no hydrogen 2.714 N/A LEU 189.A N PHE 172.A O no hydrogen 2.846 N/A VAL 190.A N PHE 136.A O no hydrogen 2.874 N/A ARG 191.A N GLU 169.A O no hydrogen 2.941 N/A ARG 191.A NE GLU 169.A OE1 no hydrogen 2.764 N/A ARG 191.A NH1 ALA 37.A O no hydrogen 2.905 N/A ARG 191.A NH2 GLU 169.A OE1 no hydrogen 3.375 N/A ARG 191.A NH2 GLU 169.A OE2 no hydrogen 3.049 N/A LEU 192.A N LEU 134.A O no hydrogen 2.751 N/A THR 193.A N VAL 167.A O.A no hydrogen 2.856 N/A THR 193.A N VAL 167.A O.B no hydrogen 2.940 N/A THR 195.A N HIS 165.A O no hydrogen 2.877 N/A THR 195.A OG1 HIS 165.A O no hydrogen 3.261 N/A LEU 203.A N ASP 200.A OD1 no hydrogen 3.230 N/A PHE 204.A N ASP 200.A O no hydrogen 3.075 N/A ARG 205.A N PRO 201.A O no hydrogen 2.847 N/A LEU 206.A N GLY 202.A O no hydrogen 3.309 N/A VAL 207.A N LEU 203.A O no hydrogen 2.934 N/A GLU 208.A N PHE 204.A O no hydrogen 2.851 N/A ALA 209.A N ARG 205.A O no hydrogen 3.053 N/A ALA 210.A N LEU 206.A O no hydrogen 2.827 N/A PHE 211.A N VAL 207.A O no hydrogen 3.286 N/A GLY 212.A N ALA 209.A O no hydrogen 3.248 N/A ARG 214.A NE PHE 211.A O no hydrogen 2.703 N/A LYS 216.A N LYS 213.A O no hydrogen 3.364 N/A LEU 218.A N VAL 245.A O no hydrogen 2.796 N/A ASN 220.A N THR 217.A OG1 no hydrogen 3.323 N/A ALA 221.A N THR 217.A O no hydrogen 2.912 N/A LEU 222.A N LEU 218.A O no hydrogen 2.895 N/A ALA 223.A N LEU 219.A O no hydrogen 2.855 N/A ALA 224.A N ASN 220.A O no hydrogen 2.977 N/A ALA 225.A N ALA 221.A O no hydrogen 3.277 N/A ALA 225.A N LEU 222.A O no hydrogen 3.089 N/A GLY 226.A N ALA 223.A O no hydrogen 3.102 N/A TYR 227.A N LEU 222.A O no hydrogen 3.117 N/A LYS 229.A NZ GLU 233.A OE2 no hydrogen 3.132 N/A ARG 231.A NH1 GLY 261.A O no hydrogen 2.805 N/A ARG 231.A NH2 GLY 261.A O no hydrogen 3.328 N/A VAL 232.A N PRO 228.A O no hydrogen 3.124 N/A GLU 233.A N LYS 229.A O no hydrogen 2.955 N/A GLU 234.A N ALA 230.A O no hydrogen 3.042 N/A ALA 235.A N ARG 231.A O no hydrogen 2.935 N/A LEU 236.A N VAL 232.A O no hydrogen 2.976 N/A ARG 237.A N GLU 233.A O no hydrogen 3.026 N/A ALA 238.A N GLU 234.A O no hydrogen 2.824 N/A LEU 239.A N ALA 235.A O no hydrogen 3.146 N/A LEU 239.A N LEU 236.A O no hydrogen 3.195 N/A GLY 240.A N ARG 237.A O no hydrogen 2.902 N/A LEU 241.A N LEU 236.A O no hydrogen 2.961 N/A VAL 245.A N PRO 242.A O no hydrogen 3.038 N/A ARG 246.A N GLU 249.A OE2 no hydrogen 2.924 N/A ARG 246.A NE GLU 248.A OE2 no hydrogen 2.788 N/A ARG 246.A NH1 ARG 214.A O no hydrogen 3.008 N/A ARG 246.A NH2 ARG 214.A O no hydrogen 3.053 N/A ARG 246.A NH2 GLU 248.A OE2 no hydrogen 2.804 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.757 N/A GLU 249.A N ARG 246.A O no hydrogen 2.954 N/A LEU 250.A N ALA 247.A O no hydrogen 3.139 N/A ALA 254.A N ASP 251.A OD1 no hydrogen 2.957 N/A PHE 255.A N ASP 251.A O no hydrogen 3.029 N/A ARG 256.A N LEU 252.A O no hydrogen 2.969 N/A ARG 256.A NH2 HIS 164.A ND1 no hydrogen 2.931 N/A ARG 257.A N GLU 253.A O no hydrogen 2.851 N/A ARG 257.A NE GLU 253.A OE2 no hydrogen 2.792 N/A LEU 258.A N ALA 254.A O no hydrogen 2.789 N/A ARG 259.A N PHE 255.A O no hydrogen 2.938 N/A ARG 259.A NE GLU 263.A OE1 no hydrogen 3.368 N/A ARG 259.A NE GLU 263.A OE2 no hydrogen 2.952 N/A ARG 259.A NH1 ASP 200.A OD1 no hydrogen 3.258 N/A ARG 259.A NH1 ASP 200.A OD2 no hydrogen 2.863 N/A ARG 259.A NH2 ASP 200.A OD1 no hydrogen 2.775 N/A GLU 260.A N ARG 256.A O no hydrogen 2.959 N/A GLY 261.A N ARG 257.A O no hydrogen 2.793 N/A LEU 262.A N LEU 258.A O no hydrogen 2.874 N/A GLU 263.A N ARG 259.A O no hydrogen 3.151 N/A