Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wt4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N HIS 4.A NE2 no hydrogen 3.258 N/A GLY 2.A N GLU 265.A OE2 no hydrogen 2.758 N/A HIS 4.A N VAL 104.A O no hydrogen 2.777 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.685 N/A HIS 4.A NE2 GLN 181.A OE1 no hydrogen 3.054 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.881 N/A MET 6.A N CYS 102.A O no hydrogen 2.912 N/A ARG 7.A N TYR 28.A O no hydrogen 2.954 N/A ARG 7.A NH1 ASP 103.A OD1 no hydrogen 2.568 N/A ARG 7.A NH2 ASP 103.A OD1 no hydrogen 2.663 N/A ARG 7.A NH2 ASP 103.A OD2 no hydrogen 3.506 N/A TYR 8.A N PHE 100.A O no hydrogen 2.864 N/A PHE 9.A N VAL 26.A O no hydrogen 2.850 N/A SER 10.A N MET 98.A O no hydrogen 2.847 N/A THR 11.A N ILE 24.A O no hydrogen 2.814 N/A SER 12.A N LEU 96.A O no hydrogen 2.870 N/A VAL 13.A N ARG 22.A O no hydrogen 2.922 N/A SER 14.A N HIS 94.A O no hydrogen 2.953 N/A SER 14.A OG HIS 94.A O no hydrogen 3.424 N/A ARG 15.A NE.B GLU 20.A O no hydrogen 2.850 N/A ARG 15.A NH1.A ASP 40.A OD1 no hydrogen 2.891 N/A ARG 15.A NH2.A ASP 40.A OD2 no hydrogen 3.105 N/A ARG 15.A NH2.B GLU 20.A O no hydrogen 2.523 N/A ARG 18.A N ARG 15.A O no hydrogen 2.775 N/A ARG 22.A N VAL 13.A O no hydrogen 3.019 N/A ARG 22.A NE ASP 38.A OD1 no hydrogen 2.853 N/A ARG 22.A NH2 ASP 38.A OD2 no hydrogen 2.772 N/A PHE 23.A N SER 39.A OG no hydrogen 2.800 N/A ILE 24.A N THR 11.A O no hydrogen 2.934 N/A ALA 25.A N PHE 37.A O no hydrogen 2.844 N/A VAL 26.A N PHE 9.A O no hydrogen 2.901 N/A GLY 27.A N VAL 35.A O no hydrogen 3.138 N/A TYR 28.A N ARG 7.A O no hydrogen 2.762 N/A VAL 29.A N THR 32.A O no hydrogen 2.880 N/A ASP 30.A N SER 5.A O no hydrogen 2.818 N/A THR 32.A N VAL 29.A O no hydrogen 2.871 N/A THR 32.A OG1 TYR 210.A OH no hydrogen 2.683 N/A GLN 33.A NE2 VAL 35.A O no hydrogen 2.987 N/A PHE 34.A N GLY 27.A O no hydrogen 2.825 N/A ARG 36.A N GLU 47.A O.A no hydrogen 2.924 N/A ARG 36.A N GLU 47.A O.B no hydrogen 2.906 N/A ARG 36.A NE GLU 47.A OE1.B no hydrogen 2.966 N/A ARG 36.A NH2 GLU 47.A OE1.B no hydrogen 3.397 N/A PHE 37.A N ALA 25.A O no hydrogen 2.870 N/A SER 39.A N PHE 23.A O no hydrogen 2.869 N/A SER 39.A OG PHE 23.A O no hydrogen 3.398 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.829 N/A ALA 41.A N ASP 38.A O no hydrogen 2.861 N/A SER 43.A OG GLU 47.A OE2.A no hydrogen 2.943 N/A SER 43.A OG GLU 47.A OE2.B no hydrogen 2.682 N/A GLN 44.A NE2 SER 39.A O no hydrogen 3.000 N/A GLN 44.A NE2 ALA 41.A O no hydrogen 2.833 N/A ARG 45.A N SER 43.A OG no hydrogen 3.289 N/A ARG 45.A NH1 ASP 62.A OD1 no hydrogen 2.937 N/A ARG 45.A NH2 ASP 62.A OD1 no hydrogen 3.018 N/A MET 46.A N THR 65.A OG1 no hydrogen 2.963 N/A GLU 47.A N.A ARG 36.A O no hydrogen 2.817 N/A GLU 47.A N.B ARG 36.A O no hydrogen 2.812 N/A ARG 49.A N PHE 34.A O no hydrogen 2.778 N/A ILE 53.A N ALA 50.A O no hydrogen 3.312 N/A GLU 54.A N PRO 51.A O no hydrogen 3.141 N/A GLN 55.A N TRP 52.A O no hydrogen 3.341 N/A GLU 56.A N ILE 53.A O no hydrogen 3.024 N/A TYR 60.A OH TYR 172.A OH no hydrogen 2.636 N/A TRP 61.A N GLY 57.A O no hydrogen 3.414 N/A TRP 61.A NE1 GLU 56.A O no hydrogen 3.112 N/A ASP 62.A N PRO 58.A O no hydrogen 3.003 N/A GLU 63.A N GLU 59.A O no hydrogen 2.919 N/A GLU 64.A N TYR 60.A O no hydrogen 2.837 N/A THR 65.A N TRP 61.A O no hydrogen 3.063 N/A THR 65.A OG1 TRP 61.A O no hydrogen 2.727 N/A GLY 66.A N ASP 62.A O no hydrogen 3.021 N/A LYS 67.A N GLU 63.A O no hydrogen 3.055 N/A LYS 67.A NZ.A GLU 64.A OE2 no hydrogen 2.699 N/A VAL 68.A N GLU 64.A O no hydrogen 2.981 N/A LYS 69.A N THR 65.A O no hydrogen 3.013 N/A ALA 70.A N GLY 66.A O no hydrogen 3.031 N/A HIS 71.A N LYS 67.A O no hydrogen 3.111 N/A HIS 71.A NE2 ASP 75.A OD2 no hydrogen 2.928 N/A SER 72.A N VAL 68.A O no hydrogen 2.977 N/A SER 72.A OG LYS 69.A O no hydrogen 2.834 N/A GLN 73.A N LYS 69.A O no hydrogen 3.101 N/A GLN 73.A NE2.A GLU 77.A OE2 no hydrogen 3.456 N/A THR 74.A N ALA 70.A O no hydrogen 2.967 N/A THR 74.A OG1 ALA 70.A O no hydrogen 3.193 N/A ASP 75.A N HIS 71.A O no hydrogen 2.900 N/A ARG 76.A N SER 72.A O no hydrogen 3.032 N/A ARG 76.A NE.B GLN 73.A OE1.A no hydrogen 3.403 N/A ARG 76.A NH2.B GLN 73.A OE1.B no hydrogen 2.268 N/A GLU 77.A N GLN 73.A O no hydrogen 3.129 N/A ASN 78.A N THR 74.A O no hydrogen 2.822 N/A ASN 78.A ND2 ASP 75.A OD1 no hydrogen 3.412 N/A LEU 79.A N ASP 75.A O no hydrogen 2.875 N/A ARG 80.A N ARG 76.A O no hydrogen 3.272 N/A ARG 80.A NH2 GLU 20.A OE1 no hydrogen 3.437 N/A ILE 81.A N GLU 77.A O no hydrogen 2.873 N/A ALA 82.A N ASN 78.A O no hydrogen 2.912 N/A LEU 83.A N LEU 79.A O no hydrogen 3.333 N/A ARG 84.A N.A ARG 80.A O no hydrogen 3.477 N/A ARG 84.A N.B ILE 81.A O no hydrogen 3.083 N/A TYR 85.A N ILE 81.A O no hydrogen 2.946 N/A TYR 86.A N ALA 82.A O no hydrogen 2.870 N/A TYR 86.A OH ASP 138.A OD1 no hydrogen 3.401 N/A TYR 86.A OH ASP 138.A OD2 no hydrogen 2.706 N/A ASN 87.A N ARG 84.A O.A no hydrogen 3.197 N/A ASN 87.A N ARG 84.A O.B no hydrogen 3.408 N/A GLN 88.A N LEU 83.A O no hydrogen 2.902 N/A ALA 91.A N SER 89.A OG no hydrogen 3.160 N/A HIS 94.A N SER 14.A OG no hydrogen 2.850 N/A HIS 94.A ND1 ASP 120.A OD2 no hydrogen 2.627 N/A THR 95.A N ASP 120.A OD1 no hydrogen 2.857 N/A LEU 96.A N SER 12.A O no hydrogen 2.846 N/A GLN 97.A N ALA 118.A O no hydrogen 2.880 N/A MET 98.A N SER 10.A O no hydrogen 3.027 N/A MET 99.A N GLN 116.A O no hydrogen 2.918 N/A PHE 100.A N TYR 8.A O no hydrogen 3.076 N/A GLY 101.A N TYR 114.A O no hydrogen 3.190 N/A CYS 102.A N MET 6.A O no hydrogen 2.919 N/A ASP 103.A N ARG 112.A O no hydrogen 2.790 N/A VAL 104.A N HIS 4.A O no hydrogen 2.822 N/A GLY 105.A N ARG 109.A O no hydrogen 2.883 N/A SER 106.A N GLY 2.A O no hydrogen 2.888 N/A SER 106.A OG GLY 2.A O no hydrogen 3.263 N/A GLY 108.A N GLY 105.A O no hydrogen 2.916 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 2.972 N/A LEU 111.A N ASP 103.A O no hydrogen 2.710 N/A ARG 112.A N ASP 103.A O no hydrogen 3.357 N/A ARG 112.A NE.A GLY 113.A O no hydrogen 3.131 N/A ARG 112.A NH2.A LEU 127.A O no hydrogen 3.531 N/A TYR 114.A N GLY 101.A O no hydrogen 2.851 N/A TYR 114.A OH ASP 103.A OD2 no hydrogen 3.302 N/A GLN 116.A N MET 99.A O no hydrogen 2.964 N/A TYR 117.A N ILE 125.A O no hydrogen 2.814 N/A TYR 117.A OH ASP 75.A OD1 no hydrogen 2.591 N/A ALA 118.A N GLN 97.A O no hydrogen 2.859 N/A TYR 119.A N LYS 122.A O no hydrogen 2.904 N/A TYR 119.A OH GLN 88.A OE1 no hydrogen 2.524 N/A ASP 120.A N THR 95.A O no hydrogen 2.750 N/A LYS 122.A N TYR 119.A O no hydrogen 3.084 N/A LYS 122.A NZ ASP 120.A O no hydrogen 3.023 N/A TYR 124.A N TYR 117.A O no hydrogen 2.853 N/A TYR 124.A OH THR 144.A OG1 no hydrogen 2.796 N/A ALA 126.A N THR 135.A O no hydrogen 2.916 N/A LEU 127.A N HIS 115.A O no hydrogen 2.896 N/A LYS 128.A N SER 133.A O no hydrogen 2.903 N/A LEU 131.A N LYS 128.A O no hydrogen 2.892 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 3.105 N/A THR 135.A N ALA 126.A O no hydrogen 2.803 N/A ALA 137.A N TYR 124.A O no hydrogen 3.049 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.933 N/A GLN 142.A N ASP 138.A O no hydrogen 3.287 N/A GLN 142.A N MET 139.A O no hydrogen 3.140 N/A GLN 142.A NE2 ALA 136.A O no hydrogen 3.030 N/A GLN 142.A NE2 ASP 138.A O no hydrogen 3.237 N/A ILE 143.A N ALA 140.A O no hydrogen 2.932 N/A THR 144.A OG1 TYR 124.A OH no hydrogen 2.796 N/A LYS 145.A N ALA 141.A O no hydrogen 2.847 N/A LYS 145.A NZ TRP 134.A O no hydrogen 2.724 N/A ARG 146.A N GLN 142.A O no hydrogen 2.978 N/A LYS 147.A N ILE 143.A O no hydrogen 3.151 N/A LYS 147.A NZ TYR 85.A OH no hydrogen 3.446 N/A TRP 148.A N THR 144.A O no hydrogen 2.772 N/A GLU 149.A N LYS 145.A O no hydrogen 2.810 N/A ALA 150.A N ARG 146.A O no hydrogen 3.012 N/A ALA 151.A N LYS 147.A O no hydrogen 3.079 N/A HIS 152.A N GLU 149.A O no hydrogen 3.108 N/A HIS 152.A ND1 GLU 155.A OE2 no hydrogen 2.799 N/A VAL 153.A N TRP 148.A O no hydrogen 2.887 N/A GLN 156.A N HIS 152.A O no hydrogen 3.334 N/A GLN 156.A NE2 ALA 151.A O no hydrogen 2.957 N/A GLN 156.A NE2 HIS 152.A O no hydrogen 3.523 N/A GLN 157.A N VAL 153.A O no hydrogen 2.931 N/A ARG 158.A N ALA 154.A O no hydrogen 2.755 N/A ARG 158.A NE GLU 162.A OE2 no hydrogen 3.057 N/A ARG 158.A NH2 GLU 162.A OE2 no hydrogen 3.540 N/A ALA 159.A N GLU 155.A O no hydrogen 2.997 N/A TYR 160.A N GLN 156.A O no hydrogen 3.128 N/A LEU 161.A N GLN 157.A O no hydrogen 2.796 N/A GLU 162.A N ARG 158.A O no hydrogen 2.966 N/A GLY 163.A N TYR 160.A O no hydrogen 3.347 N/A CYS 165.A N TYR 160.A O no hydrogen 2.907 N/A ASP 167.A N GLY 163.A O no hydrogen 2.875 N/A GLY 168.A N THR 164.A O no hydrogen 2.777 N/A LEU 169.A N CYS 165.A O no hydrogen 2.916 N/A ARG 170.A N VAL 166.A O no hydrogen 3.020 N/A ARG 170.A NE GLY 108.A O no hydrogen 2.903 N/A ARG 170.A NH2 GLY 108.A O no hydrogen 2.587 N/A ARG 171.A N ASP 167.A O no hydrogen 3.130 N/A ARG 171.A NH1 GLU 56.A OE1 no hydrogen 2.914 N/A ARG 171.A NH1 GLU 56.A OE2 no hydrogen 3.248 N/A TYR 172.A N GLY 168.A O no hydrogen 2.966 N/A LEU 173.A N LEU 169.A O no hydrogen 2.950 N/A GLU 174.A N ARG 170.A O no hydrogen 3.047 N/A ASN 175.A N ARG 171.A O no hydrogen 2.880 N/A GLY 176.A N TYR 172.A O no hydrogen 2.728 N/A LYS 177.A N GLU 174.A O no hydrogen 3.290 N/A THR 179.A N GLY 176.A O no hydrogen 3.093 N/A THR 179.A OG1 GLY 176.A O no hydrogen 3.302 N/A LEU 180.A N GLY 176.A O no hydrogen 2.751 N/A GLN 181.A N LYS 177.A O no hydrogen 3.242 N/A ARG 182.A N THR 179.A O no hydrogen 3.486 N/A ARG 182.A NH1 THR 179.A O no hydrogen 2.500 N/A THR 183.A OG1 THR 183.A O no hydrogen 2.609 N/A LYS 187.A N LEU 207.A O no hydrogen 2.760 N/A HIS 189.A N TRP 205.A O no hydrogen 3.294 N/A THR 191.A N ARG 203.A O no hydrogen 2.884 N/A THR 191.A OG1 HIS 193.A NE2 no hydrogen 2.657 N/A HIS 192.A NE2 GLU 255.A OE2 no hydrogen 2.893 N/A HIS 193.A N THR 201.A O no hydrogen 2.736 N/A HIS 193.A NE2 THR 191.A OG1 no hydrogen 2.657 N/A ILE 195.A N GLU 199.A O no hydrogen 2.939 N/A SER 196.A N GLU 199.A O no hydrogen 3.098 N/A HIS 198.A N SER 196.A OG no hydrogen 3.177 N/A GLU 199.A N SER 196.A OG no hydrogen 3.368 N/A ALA 200.A N VAL 250.A O no hydrogen 2.975 N/A THR 201.A N HIS 193.A O no hydrogen 2.686 N/A LEU 202.A N VAL 248.A O no hydrogen 2.946 N/A ARG 203.A N THR 191.A O no hydrogen 2.986 N/A CYS 204.A N ALA 246.A O no hydrogen 2.685 N/A TRP 205.A N HIS 189.A O no hydrogen 2.809 N/A ALA 206.A N LYS 244.A O no hydrogen 2.896 N/A LEU 207.A N LYS 187.A O no hydrogen 2.807 N/A PHE 209.A N PHE 242.A O no hydrogen 3.408 N/A TYR 210.A N ASP 184.A O no hydrogen 2.948 N/A TYR 210.A OH THR 32.A OG1 no hydrogen 2.683 N/A ALA 212.A N ASP 31.A OD2 no hydrogen 2.810 N/A THR 215.A N GLN 263.A O no hydrogen 2.974 N/A THR 217.A N HIS 261.A O no hydrogen 3.028 N/A TRP 218.A NE1 ALA 246.A O no hydrogen 2.917 N/A GLN 219.A N THR 259.A O no hydrogen 2.773 N/A ARG 220.A N GLU 223.A O no hydrogen 2.911 N/A ASP 221.A N ARG 257.A O no hydrogen 3.014 N/A GLU 223.A N ARG 220.A O no hydrogen 3.014 N/A GLN 225.A N TRP 218.A O no hydrogen 2.973 N/A GLN 225.A NE2 GLU 223.A O no hydrogen 3.182 N/A GLN 225.A NE2 ASP 224.A O no hydrogen 3.405 N/A ASP 228.A N.A GLN 225.A O no hydrogen 3.334 N/A ASP 228.A N.B GLN 225.A O no hydrogen 3.392 N/A THR 229.A OG1.A GLN 225.A O no hydrogen 2.648 N/A THR 229.A OG1.B GLN 225.A O no hydrogen 2.596 N/A GLU 230.A N.A ALA 247.A O no hydrogen 2.984 N/A GLU 230.A N.B ALA 247.A O no hydrogen 2.673 N/A VAL 232.A N TRP 245.A O no hydrogen 3.352 N/A ARG 235.A N GLN 243.A O no hydrogen 2.915 N/A ARG 235.A NE GLN 243.A OE1 no hydrogen 2.976 N/A ARG 235.A NH2 GLN 243.A OE1 no hydrogen 3.119 N/A ALA 237.A N THR 241.A O no hydrogen 2.866 N/A THR 241.A N ASP 239.A OD1 no hydrogen 3.174 N/A THR 241.A OG1 ASP 239.A OD1 no hydrogen 2.749 N/A PHE 242.A N PHE 209.A O no hydrogen 2.833 N/A GLN 243.A N ARG 235.A O no hydrogen 2.765 N/A LYS 244.A N ALA 206.A O no hydrogen 2.978 N/A LYS 244.A NZ VAL 232.A O no hydrogen 2.780 N/A LYS 244.A NZ THR 234.A OG1 no hydrogen 3.162 N/A ALA 246.A N CYS 204.A O no hydrogen 2.978 N/A ALA 247.A N GLU 230.A O.A no hydrogen 2.840 N/A ALA 247.A N GLU 230.A O.B no hydrogen 3.073 N/A VAL 248.A N LEU 202.A O no hydrogen 2.924 N/A VAL 250.A N ALA 200.A O no hydrogen 2.819 N/A SER 252.A N HIS 198.A O no hydrogen 2.887 N/A SER 252.A OG ASP 197.A O no hydrogen 2.802 N/A GLU 254.A N PRO 251.A O no hydrogen 3.045 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.646 N/A GLN 256.A NE2 TRP 275.A O no hydrogen 2.908 N/A ARG 257.A N GLU 254.A O no hydrogen 3.065 N/A ARG 257.A NE ASP 221.A OD1 no hydrogen 3.138 N/A ARG 257.A NE ASP 221.A OD2 no hydrogen 3.063 N/A ARG 257.A NH1 GLU 254.A OE1 no hydrogen 2.789 N/A ARG 257.A NH2 ASP 221.A OD2 no hydrogen 2.640 N/A TYR 258.A N GLU 255.A O no hydrogen 3.180 N/A THR 259.A N GLN 219.A O no hydrogen 2.919 N/A THR 259.A OG1 HIS 261.A NE2 no hydrogen 2.673 N/A CYS 260.A N LEU 273.A O no hydrogen 2.921 N/A CYS 260.A SG THR 217.A O no hydrogen 4.033 N/A HIS 261.A N THR 217.A O no hydrogen 2.835 N/A HIS 261.A NE2 THR 259.A OG1 no hydrogen 2.673 N/A VAL 262.A N LEU 271.A O no hydrogen 3.055 N/A GLN 263.A N THR 215.A O no hydrogen 2.878 N/A HIS 264.A NE2 PRO 211.A O no hydrogen 2.919 N/A GLY 266.A N HIS 264.A ND1 no hydrogen 2.981 N/A LEU 267.A N HIS 264.A O no hydrogen 3.087 N/A LEU 271.A N VAL 262.A O no hydrogen 2.901 N/A THR 272.A OG1 HIS 261.A ND1 no hydrogen 3.407 N/A LEU 273.A N CYS 260.A O no hydrogen 2.723 N/A ARG 274.A NH1.A GLN 256.A O no hydrogen 2.745 N/A ARG 274.A NH2.A GLN 256.A O no hydrogen 2.997 N/A