Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f3y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N ASP 27.A O no hydrogen 2.927 N/A ILE 5.A N THR 29.A O no hydrogen 2.896 N/A ALA 6.A N TYR 71.A O no hydrogen 2.772 N/A ILE 7.A N GLY 32.A O no hydrogen 3.160 N/A ALA 8.A N ILE 73.A O no hydrogen 3.013 N/A ALA 10.A N LEU 34.A O no hydrogen 2.807 N/A SER 11.A OG ASP 35.A OD2 no hydrogen 2.624 N/A GLY 12.A N GLY 9.A O no hydrogen 2.971 N/A ARG 16.A N GLY 12.A O no hydrogen 2.988 N/A MET 17.A N ARG 13.A O no hydrogen 3.086 N/A LEU 18.A N MET 14.A O no hydrogen 2.829 N/A ILE 19.A N GLY 15.A O no hydrogen 2.789 N/A GLU 20.A N ARG 16.A O no hydrogen 2.972 N/A ALA 21.A N MET 17.A O no hydrogen 2.983 N/A VAL 22.A N LEU 18.A O no hydrogen 2.841 N/A LEU 23.A N ILE 19.A O no hydrogen 2.965 N/A ALA 24.A N GLU 20.A O no hydrogen 3.067 N/A ALA 25.A N ALA 21.A O no hydrogen 2.848 N/A THR 29.A N MET 3.A O no hydrogen 2.893 N/A VAL 31.A N ILE 5.A O no hydrogen 2.878 N/A LEU 34.A N ILE 7.A O no hydrogen 2.897 N/A ASP 35.A N THR 59.A O no hydrogen 2.947 N/A ARG 36.A N ASP 35.A OD1 no hydrogen 3.111 N/A THR 37.A OG1 ASP 60.A OD2 no hydrogen 2.654 N/A SER 39.A N ARG 36.A O no hydrogen 3.121 N/A SER 39.A OG ASP 35.A OD2 no hydrogen 2.683 N/A GLN 41.A N SER 39.A OG no hydrogen 3.021 N/A LEU 42.A N SER 39.A O no hydrogen 3.270 N/A GLY 43.A N LEU 58.A O no hydrogen 2.780 N/A GLN 44.A N GLN 41.A O no hydrogen 3.070 N/A ALA 46.A N VAL 56.A O no hydrogen 2.714 N/A GLY 47.A N ASP 45.A OD1 no hydrogen 2.929 N/A ALA 48.A N ASP 45.A O no hydrogen 3.046 N/A LYS 52.A N GLY 47.A O no hydrogen 3.347 N/A THR 54.A N ASP 45.A OD1 no hydrogen 2.986 N/A THR 54.A OG1 ASP 45.A OD1 no hydrogen 2.770 N/A GLY 55.A N ASP 45.A OD2 no hydrogen 2.812 N/A VAL 56.A N THR 54.A OG1 no hydrogen 2.955 N/A LEU 58.A N GLN 44.A O no hydrogen 2.762 N/A THR 59.A N ALA 33.A O no hydrogen 2.947 N/A ASP 61.A N THR 59.A OG1 no hydrogen 3.157 N/A ARG 64.A N ASP 61.A OD1 no hydrogen 3.246 N/A VAL 65.A N ASP 61.A O no hydrogen 3.237 N/A CYS 66.A N ILE 62.A O no hydrogen 2.912 N/A CYS 66.A SG ILE 62.A O no hydrogen 3.532 N/A ALA 67.A N GLU 63.A O no hydrogen 2.874 N/A GLU 68.A N ARG 64.A O no hydrogen 2.904 N/A ALA 69.A N VAL 65.A O no hydrogen 2.849 N/A ASP 70.A N LYS 4.A O no hydrogen 2.901 N/A TYR 71.A N LYS 4.A O no hydrogen 3.120 N/A LEU 72.A N LYS 94.A O no hydrogen 2.925 N/A ILE 73.A N ALA 6.A O no hydrogen 2.963 N/A ASP 74.A N VAL 96.A O no hydrogen 2.748 N/A THR 76.A N THR 99.A OG1 no hydrogen 3.052 N/A THR 76.A OG1 ASP 74.A OD1 no hydrogen 2.698 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.977 N/A THR 81.A N LEU 77.A O no hydrogen 2.752 N/A THR 81.A OG1 ASP 74.A OD2 no hydrogen 2.847 N/A THR 81.A OG1 LEU 77.A O no hydrogen 3.238 N/A THR 81.A OG1 THR 99.A OG1 no hydrogen 2.658 N/A LEU 82.A N PRO 78.A O no hydrogen 3.010 N/A VAL 83.A N GLU 79.A O no hydrogen 3.366 N/A HIS 84.A N GLY 80.A O no hydrogen 3.087 N/A HIS 84.A ND1 ASP 74.A OD2 no hydrogen 2.698 N/A LEU 85.A N THR 81.A O no hydrogen 2.662 N/A ASP 86.A N LEU 82.A O no hydrogen 3.412 N/A ALA 88.A N HIS 84.A O no hydrogen 2.835 N/A LEU 89.A N LEU 85.A O no hydrogen 2.941 N/A ARG 90.A N ASP 86.A O no hydrogen 3.105 N/A ARG 90.A NE ASP 86.A OD2 no hydrogen 2.947 N/A ARG 90.A NH1 GLU 63.A OE1 no hydrogen 2.855 N/A ARG 90.A NH1 GLU 63.A OE2 no hydrogen 3.267 N/A ARG 90.A NH2 GLU 63.A OE2 no hydrogen 2.658 N/A ARG 90.A NH2 ASP 86.A OD2 no hydrogen 2.897 N/A HIS 91.A N ALA 87.A O no hydrogen 2.910 N/A HIS 91.A NE2 GLU 63.A OE1 no hydrogen 2.634 N/A ASP 92.A N LEU 89.A O no hydrogen 3.437 N/A VAL 93.A N ALA 88.A O no hydrogen 2.881 N/A LYS 94.A N ASP 70.A O no hydrogen 2.798 N/A LYS 94.A NZ LEU 250.A O no hydrogen 3.128 N/A LEU 95.A N ALA 118.A O no hydrogen 3.146 N/A VAL 96.A N LEU 72.A O no hydrogen 3.001 N/A ILE 97.A N VAL 120.A O no hydrogen 2.810 N/A GLY 98.A N ASP 74.A O no hydrogen 2.721 N/A THR 99.A N ASP 74.A O no hydrogen 3.239 N/A THR 99.A OG1 ASP 74.A O no hydrogen 3.356 N/A THR 99.A OG1 THR 81.A OG1 no hydrogen 2.658 N/A SER 103.A N GLN 106.A OE1 no hydrogen 3.172 N/A GLN 106.A N SER 103.A OG no hydrogen 3.140 N/A LYS 107.A N SER 103.A O no hydrogen 2.871 N/A LYS 107.A NZ PHE 102.A O no hydrogen 3.288 N/A LYS 107.A NZ GLU 104.A OE2 no hydrogen 3.235 N/A ALA 108.A N GLU 104.A O no hydrogen 2.878 N/A GLN 109.A N PRO 105.A O no hydrogen 2.950 N/A LEU 110.A N GLN 106.A O no hydrogen 2.928 N/A ARG 111.A N LYS 107.A O no hydrogen 3.007 N/A ALA 112.A N ALA 108.A O no hydrogen 2.906 N/A ALA 113.A N GLN 109.A O no hydrogen 2.948 N/A GLY 114.A N LEU 110.A O no hydrogen 3.164 N/A GLY 114.A N ARG 111.A O no hydrogen 2.780 N/A GLU 115.A N ALA 112.A O no hydrogen 2.922 N/A LYS 116.A N ALA 113.A O no hydrogen 2.913 N/A ILE 117.A N ALA 113.A O no hydrogen 2.955 N/A LEU 119.A N GLY 256.A O no hydrogen 2.918 N/A VAL 120.A N LEU 95.A O no hydrogen 2.794 N/A PHE 121.A N PHE 258.A O no hydrogen 2.931 N/A SER 122.A N ILE 97.A O no hydrogen 3.487 N/A SER 122.A OG ASN 124.A O no hydrogen 3.102 N/A ASN 124.A N SER 122.A OG no hydrogen 3.352 N/A SER 126.A N ASN 124.A OD1 no hydrogen 2.856 N/A VAL 129.A N SER 126.A OG no hydrogen 2.892 N/A ASN 130.A N SER 126.A O no hydrogen 3.423 N/A ASN 130.A ND2 ASN 124.A O no hydrogen 2.921 N/A ASN 130.A ND2 SER 126.A O no hydrogen 2.671 N/A VAL 131.A N VAL 127.A O no hydrogen 3.007 N/A THR 132.A N GLY 128.A O no hydrogen 2.885 N/A THR 132.A OG1 GLY 128.A O no hydrogen 2.831 N/A MET 133.A N VAL 129.A O no hydrogen 2.977 N/A LEU 135.A N VAL 131.A O no hydrogen 2.993 N/A LEU 136.A N THR 132.A O no hydrogen 2.835 N/A GLU 137.A N MET 133.A O no hydrogen 3.047 N/A PHE 138.A N LYS 134.A O no hydrogen 3.185 N/A ALA 139.A N LEU 135.A O no hydrogen 2.908 N/A ALA 140.A N LEU 136.A O no hydrogen 2.809 N/A LYS 141.A N GLU 137.A O no hydrogen 3.451 N/A LYS 141.A NZ ALA 177.A O no hydrogen 3.508 N/A GLN 142.A N PHE 138.A O no hydrogen 3.002 N/A PHE 143.A N ALA 139.A O no hydrogen 2.787 N/A TYR 147.A OH GLU 225.A OE2 no hydrogen 2.396 N/A ASP 148.A N ALA 221.A O no hydrogen 2.740 N/A GLU 150.A N LEU 219.A O no hydrogen 2.940 N/A ILE 151.A N GLY 203.A O no hydrogen 2.627 N/A ILE 152.A N THR 217.A O no hydrogen 2.842 N/A GLU 153.A N SER 205.A O no hydrogen 2.995 N/A ALA 154.A N ASP 215.A O no hydrogen 2.964 N/A HIS 155.A N ILE 207.A O no hydrogen 3.031 N/A HIS 155.A ND1 GLU 153.A OE2 no hydrogen 2.962 N/A ARG 157.A N GLY 210.A O no hydrogen 2.914 N/A HIS 158.A N HIS 156.A ND1 no hydrogen 3.056 N/A LYS 159.A N HIS 156.A O no hydrogen 3.263 N/A LYS 159.A NZ ASP 161.A OD1.A no hydrogen 3.235 N/A LYS 159.A NZ ASP 161.A OD2.A no hydrogen 2.877 N/A SER 164.A N GLU 153.A OE1 no hydrogen 2.891 N/A SER 164.A OG HIS 216.A NE2 no hydrogen 2.884 N/A ALA 167.A N SER 164.A OG no hydrogen 3.137 N/A LEU 168.A N SER 164.A O no hydrogen 3.013 N/A MET 169.A N GLY 165.A O no hydrogen 2.787 N/A MET 170.A N THR 166.A O no hydrogen 2.829 N/A GLY 171.A N ALA 167.A O no hydrogen 2.885 N/A GLU 172.A N LEU 168.A O no hydrogen 2.909 N/A THR 173.A N MET 169.A O no hydrogen 2.914 N/A THR 173.A OG1 MET 169.A O no hydrogen 3.001 N/A ILE 174.A N MET 170.A O no hydrogen 2.966 N/A ALA 175.A N GLY 171.A O no hydrogen 2.788 N/A ALA 176.A N GLU 172.A O no hydrogen 2.837 N/A ALA 177.A N THR 173.A O no hydrogen 3.157 N/A THR 178.A N ALA 175.A O no hydrogen 3.202 N/A THR 178.A OG1 ALA 175.A O no hydrogen 3.490 N/A GLY 179.A N ALA 176.A O no hydrogen 2.825 N/A ARG 180.A N ALA 175.A O no hydrogen 2.906 N/A ARG 180.A NH1 SER 200.A O no hydrogen 2.828 N/A SER 181.A OG ASP 183.A OD1 no hydrogen 3.096 N/A ASP 184.A N SER 181.A O no hydrogen 3.326 N/A CYS 185.A N LEU 182.A O no hydrogen 2.775 N/A CYS 185.A SG SER 181.A O no hydrogen 3.750 N/A CYS 185.A SG LEU 182.A O no hydrogen 3.671 N/A ALA 186.A N LEU 182.A O no hydrogen 2.799 N/A VAL 187.A N ILE 202.A O no hydrogen 2.937 N/A GLY 189.A N PHE 204.A O no hydrogen 2.987 N/A ARG 190.A NH1 GLU 150.A OE1 no hydrogen 2.822 N/A ARG 190.A NH2 GLU 150.A OE2 no hydrogen 2.919 N/A ARG 197.A NH1 THR 201.A O no hydrogen 2.925 N/A ARG 197.A NH2 GLU 150.A OE2 no hydrogen 2.744 N/A ARG 197.A NH2 THR 201.A O no hydrogen 2.843 N/A SER 200.A N ASP 198.A OD1 no hydrogen 2.810 N/A SER 200.A OG ASP 198.A OD1 no hydrogen 2.577 N/A THR 201.A N ASP 198.A O no hydrogen 3.048 N/A THR 201.A OG1 ASP 198.A O no hydrogen 3.448 N/A ILE 202.A N CYS 185.A O no hydrogen 2.803 N/A GLY 203.A N ILE 149.A O no hydrogen 3.095 N/A PHE 204.A N VAL 187.A O no hydrogen 2.857 N/A SER 205.A N ILE 151.A O no hydrogen 2.845 N/A ILE 207.A N GLU 153.A O no hydrogen 2.792 N/A ARG 208.A NH1 GLU 153.A OE1 no hydrogen 3.512 N/A ARG 208.A NH1 GLU 153.A OE2 no hydrogen 2.544 N/A ARG 208.A NH1 ILE 207.A O no hydrogen 2.715 N/A ARG 208.A NH2 GLU 153.A OE1 no hydrogen 2.920 N/A ARG 208.A NH2 ASP 161.A O.A no hydrogen 3.018 N/A ARG 208.A NH2 ASP 161.A O.B no hydrogen 2.877 N/A GLY 209.A N HIS 155.A O no hydrogen 2.976 N/A ASP 215.A N ALA 154.A O no hydrogen 2.942 N/A HIS 216.A N HIS 231.A O no hydrogen 2.756 N/A HIS 216.A NE2 SER 164.A OG no hydrogen 2.884 N/A THR 217.A N ILE 152.A O no hydrogen 2.750 N/A THR 217.A OG1 THR 230.A OG1 no hydrogen 2.757 N/A VAL 218.A N ILE 229.A O no hydrogen 2.927 N/A LEU 219.A N GLU 150.A O no hydrogen 2.793 N/A PHE 220.A N ILE 227.A O no hydrogen 2.806 N/A ALA 221.A N ASP 148.A O no hydrogen 2.814 N/A GLY 222.A N GLU 225.A O no hydrogen 2.794 N/A ILE 227.A N PHE 220.A O no hydrogen 2.927 N/A ILE 229.A N VAL 218.A O no hydrogen 3.008 N/A THR 230.A OG1 THR 217.A OG1 no hydrogen 2.757 N/A HIS 231.A N HIS 216.A O no hydrogen 2.786 N/A SER 233.A N GLY 214.A O no hydrogen 2.951 N/A VAL 237.A N SER 235.A OG no hydrogen 3.205 N/A SER 238.A N SER 235.A O no hydrogen 3.453 N/A TYR 239.A N ARG 236.A O no hydrogen 2.775 N/A GLN 241.A N VAL 237.A O no hydrogen 3.234 N/A GLY 242.A N SER 238.A O no hydrogen 3.264 N/A ALA 243.A N TYR 239.A O no hydrogen 2.877 N/A LEU 244.A N ALA 240.A O no hydrogen 3.142 N/A ARG 245.A N GLN 241.A O no hydrogen 3.249 N/A ALA 246.A N GLY 242.A O no hydrogen 2.854 N/A ALA 247.A N ALA 243.A O no hydrogen 2.892 N/A ARG 248.A N LEU 244.A O no hydrogen 2.991 N/A ARG 248.A NE ASP 27.A OD2 no hydrogen 2.815 N/A ARG 248.A NH1 ASP 27.A OD1 no hydrogen 3.035 N/A PHE 249.A N ARG 245.A O no hydrogen 2.913 N/A LEU 250.A N ALA 246.A O no hydrogen 2.878 N/A ALA 251.A N ALA 247.A O no hydrogen 2.941 N/A GLY 252.A N PHE 249.A O no hydrogen 3.304 N/A ARG 253.A N LEU 250.A O no hydrogen 2.877 N/A GLY 256.A N ILE 117.A O no hydrogen 3.120 N/A PHE 258.A N LEU 119.A O no hydrogen 2.831 N/A ASP 259.A N ASP 262.A OD2 no hydrogen 2.970 N/A GLN 261.A N ASP 259.A OD1 no hydrogen 2.713 N/A GLN 261.A NE2 ASN 130.A OD1 no hydrogen 3.049 N/A ASP 262.A N ASP 259.A OD1 no hydrogen 3.126 N/A VAL 263.A N ASP 259.A O no hydrogen 3.069 N/A LEU 264.A N MET 260.A O no hydrogen 2.956 N/A GLY 265.A N ASP 262.A O no hydrogen 3.038 N/A LEU 266.A N GLN 261.A O no hydrogen 2.828 N/A ARG 267.A NH1 ASP 259.A OD1 no hydrogen 2.932 N/A ARG 267.A NH1 ASP 259.A OD2 no hydrogen 3.148 N/A ARG 267.A NH1 ASP 262.A OD1 no hydrogen 2.938 N/A ARG 267.A NH2 ASP 259.A OD2 no hydrogen 2.501 N/A