Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wff_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 ARG 1.A O no hydrogen 2.500 N/A LEU 5.A N ARG 1.A O no hydrogen 2.913 N/A LEU 6.A N SER 2.A O no hydrogen 3.156 N/A ALA 7.A N THR 3.A O no hydrogen 3.171 N/A LEU 8.A N THR 4.A O no hydrogen 2.767 N/A LEU 9.A N LEU 5.A O no hydrogen 2.838 N/A ALA 10.A N LEU 6.A O no hydrogen 3.129 N/A LEU 11.A N ALA 7.A O no hydrogen 2.925 N/A VAL 12.A N LEU 8.A O no hydrogen 2.912 N/A LEU 13.A N LEU 9.A O no hydrogen 2.850 N/A LEU 14.A N ALA 10.A O no hydrogen 3.045 N/A TYR 15.A N LEU 11.A O no hydrogen 2.840 N/A LEU 16.A N VAL 12.A O no hydrogen 2.825 N/A VAL 17.A N LEU 13.A O no hydrogen 2.949 N/A SER 18.A N LEU 14.A O no hydrogen 2.824 N/A SER 18.A OG LEU 14.A O no hydrogen 2.935 N/A SER 18.A OG TYR 15.A O no hydrogen 2.861 N/A GLY 19.A N TYR 15.A O no hydrogen 3.030 N/A ALA 20.A N LEU 16.A O no hydrogen 2.731 N/A LEU 21.A N VAL 17.A O no hydrogen 3.014 N/A VAL 22.A N SER 18.A O no hydrogen 3.242 N/A PHE 23.A N GLY 19.A O no hydrogen 2.925 N/A ARG 24.A N ALA 20.A O no hydrogen 2.966 N/A ALA 25.A N LEU 21.A O no hydrogen 3.058 N/A LEU 26.A N VAL 22.A O no hydrogen 2.898 N/A GLU 27.A N ARG 24.A O no hydrogen 3.430 N/A GLN 28.A N ARG 24.A O no hydrogen 3.009 N/A HIS 30.A N GLU 27.A O no hydrogen 2.889 N/A GLU 31.A N GLN 28.A O no hydrogen 3.112 N/A GLN 33.A N HIS 30.A O no hydrogen 3.245 N/A GLN 33.A NE2 GLU 37.A OE2 no hydrogen 3.416 N/A ARG 36.A N GLN 32.A O no hydrogen 3.085 N/A GLU 37.A N GLN 33.A O no hydrogen 2.892 N/A LEU 38.A N ALA 34.A O no hydrogen 2.899 N/A GLY 39.A N GLN 35.A O no hydrogen 2.890 N/A GLU 40.A N ARG 36.A O no hydrogen 2.889 N/A VAL 41.A N GLU 37.A O no hydrogen 2.919 N/A ARG 42.A N LEU 38.A O no hydrogen 2.934 N/A GLU 43.A N GLY 39.A O no hydrogen 2.900 N/A LYS 44.A N GLU 40.A O no hydrogen 2.976 N/A PHE 45.A N VAL 41.A O no hydrogen 3.020 N/A LEU 46.A N ARG 42.A O no hydrogen 2.959 N/A ARG 47.A N GLU 43.A O no hydrogen 3.160 N/A ARG 47.A NH1 GLU 43.A O no hydrogen 2.884 N/A ALA 48.A N LYS 44.A O no hydrogen 3.205 N/A HIS 49.A N LEU 46.A O no hydrogen 3.149 N/A VAL 52.A N HIS 49.A O no hydrogen 2.970 N/A SER 53.A N GLU 56.A OE1 no hydrogen 3.238 N/A SER 53.A OG GLU 56.A OE1 no hydrogen 2.705 N/A GLN 55.A N GLN 55.A OE1 no hydrogen 2.529 N/A GLU 56.A N SER 53.A OG no hydrogen 3.072 N/A LEU 57.A N SER 53.A O no hydrogen 3.012 N/A GLY 58.A N ASP 54.A O no hydrogen 2.841 N/A LEU 59.A N GLN 55.A O no hydrogen 3.118 N/A LEU 60.A N GLU 56.A O no hydrogen 3.042 N/A ILE 61.A N LEU 57.A O no hydrogen 3.001 N/A LYS 62.A N GLY 58.A O no hydrogen 2.948 N/A GLU 63.A N LEU 59.A O no hydrogen 2.911 N/A VAL 64.A N LEU 60.A O no hydrogen 2.784 N/A ALA 65.A N ILE 61.A O no hydrogen 2.971 N/A ASP 66.A N LYS 62.A O no hydrogen 2.992 N/A ALA 67.A N GLU 63.A O no hydrogen 3.199 N/A LEU 68.A N VAL 64.A O no hydrogen 2.922 N/A GLY 69.A N ALA 65.A O no hydrogen 2.757 N/A GLY 70.A N ASP 66.A O no hydrogen 2.984 N/A GLY 70.A N ALA 67.A O no hydrogen 3.035 N/A GLY 71.A N LEU 68.A O no hydrogen 2.741 N/A ALA 72.A N ALA 67.A O no hydrogen 3.009 N/A SER 85.A N ASP 82.A OD1 no hydrogen 3.041 N/A SER 85.A OG SER 79.A O no hydrogen 3.146 N/A SER 85.A OG ASP 82.A OD1 no hydrogen 2.879 N/A SER 85.A OG ALA 215.A O no hydrogen 3.163 N/A ALA 86.A N ASP 82.A O no hydrogen 2.892 N/A PHE 87.A N LEU 83.A O no hydrogen 2.911 N/A PHE 88.A N GLY 84.A O no hydrogen 3.095 N/A PHE 89.A N SER 85.A O no hydrogen 2.845 N/A SER 90.A N ALA 86.A O no hydrogen 2.941 N/A SER 90.A OG ALA 86.A O no hydrogen 2.899 N/A GLY 91.A N PHE 87.A O no hydrogen 3.006 N/A THR 92.A N PHE 88.A O no hydrogen 3.026 N/A THR 92.A N PHE 89.A O no hydrogen 3.049 N/A THR 92.A OG1 PHE 89.A O no hydrogen 2.392 N/A ILE 93.A N SER 90.A O no hydrogen 2.949 N/A ILE 94.A N SER 90.A O no hydrogen 3.256 N/A THR 95.A N GLY 91.A O no hydrogen 3.159 N/A THR 95.A OG1 GLY 91.A O no hydrogen 2.552 N/A THR 96.A N ILE 93.A O no hydrogen 2.738 N/A THR 96.A OG1 THR 95.A O no hydrogen 2.560 N/A ILE 97.A N THR 95.A OG1 no hydrogen 3.281 N/A GLY 98.A N THR 92.A O no hydrogen 2.840 N/A TYR 99.A OH THR 202.A OG1 no hydrogen 2.759 N/A ARG 105.A NE LEU 104.A O no hydrogen 3.364 N/A GLY 109.A N THR 106.A OG1 no hydrogen 2.796 N/A ARG 110.A N THR 106.A O no hydrogen 3.019 N/A ARG 110.A NH1 ASP 107.A OD1 no hydrogen 3.119 N/A LEU 111.A N ASP 107.A O no hydrogen 2.817 N/A PHE 112.A N ALA 108.A O no hydrogen 2.823 N/A CYS 113.A N GLY 109.A O no hydrogen 2.948 N/A ILE 114.A N ARG 110.A O no hydrogen 3.115 N/A TYR 116.A N PHE 112.A O no hydrogen 2.875 N/A ALA 117.A N CYS 113.A O no hydrogen 3.014 N/A ALA 117.A N ILE 114.A O no hydrogen 3.261 N/A LEU 118.A N ILE 114.A O no hydrogen 2.987 N/A VAL 119.A N PHE 115.A O no hydrogen 3.149 N/A ILE 121.A N ALA 117.A O no hydrogen 2.772 N/A PHE 124.A N GLY 120.A O no hydrogen 2.867 N/A GLY 125.A N ILE 121.A O no hydrogen 2.734 N/A ILE 126.A N PRO 122.A O no hydrogen 3.014 N/A LEU 127.A N LEU 123.A O no hydrogen 3.367 N/A LEU 128.A N PHE 124.A O no hydrogen 2.792 N/A ALA 129.A N GLY 125.A O no hydrogen 2.841 N/A GLY 130.A N ILE 126.A O no hydrogen 2.995 N/A VAL 131.A N LEU 127.A O no hydrogen 2.837 N/A GLY 132.A N LEU 128.A O no hydrogen 2.628 N/A ASP 133.A N ALA 129.A O no hydrogen 2.851 N/A ARG 134.A N GLY 130.A O no hydrogen 3.022 N/A LEU 135.A N VAL 131.A O no hydrogen 2.704 N/A GLY 136.A N GLY 132.A O no hydrogen 2.962 N/A SER 137.A N ASP 133.A O no hydrogen 2.894 N/A SER 138.A N ARG 134.A O no hydrogen 3.142 N/A SER 138.A OG ARG 134.A O no hydrogen 3.119 N/A LEU 139.A N LEU 135.A O no hydrogen 2.920 N/A ARG 140.A N GLY 136.A O no hydrogen 2.699 N/A HIS 141.A N SER 137.A O no hydrogen 2.831 N/A GLY 142.A N SER 138.A O no hydrogen 3.091 N/A ILE 143.A N LEU 139.A O no hydrogen 2.827 N/A GLY 144.A N ARG 140.A O no hydrogen 2.750 N/A HIS 145.A N GLY 142.A O no hydrogen 3.054 N/A GLU 147.A N ILE 143.A O no hydrogen 2.713 N/A ALA 148.A N GLY 144.A O no hydrogen 3.050 N/A ILE 149.A N ILE 146.A O no hydrogen 3.072 N/A PHE 150.A N ILE 146.A O no hydrogen 3.384 N/A LEU 151.A N GLU 147.A O no hydrogen 2.998 N/A LYS 152.A N ALA 148.A O no hydrogen 3.223 N/A TRP 153.A N ILE 149.A O no hydrogen 3.071 N/A HIS 154.A N LEU 151.A O no hydrogen 3.125 N/A VAL 155.A N PHE 150.A O no hydrogen 3.254 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.944 N/A VAL 160.A N PRO 156.A O no hydrogen 3.003 N/A ARG 161.A N PRO 157.A O no hydrogen 3.231 N/A VAL 162.A N GLU 158.A O no hydrogen 3.309 N/A LEU 163.A N LEU 159.A O no hydrogen 2.650 N/A SER 164.A N VAL 160.A O no hydrogen 3.057 N/A SER 164.A OG VAL 160.A O no hydrogen 3.155 N/A SER 164.A OG ARG 161.A O no hydrogen 2.482 N/A ALA 165.A N ARG 161.A O no hydrogen 3.151 N/A MET 166.A N VAL 162.A O no hydrogen 2.967 N/A LEU 167.A N LEU 163.A O no hydrogen 2.814 N/A PHE 168.A N SER 164.A O no hydrogen 2.482 N/A LEU 169.A N ALA 165.A O no hydrogen 2.919 N/A LEU 170.A N MET 166.A O no hydrogen 2.789 N/A ILE 171.A N LEU 167.A O no hydrogen 2.757 N/A GLY 172.A N PHE 168.A O no hydrogen 3.286 N/A CYS 173.A N LEU 169.A O no hydrogen 2.556 N/A LEU 174.A N LEU 170.A O no hydrogen 2.911 N/A LEU 175.A N ILE 171.A O no hydrogen 2.913 N/A PHE 176.A N GLY 172.A O no hydrogen 2.624 N/A VAL 177.A N CYS 173.A O no hydrogen 2.693 N/A LEU 178.A N CYS 173.A O no hydrogen 2.874 N/A THR 179.A N LEU 174.A O no hydrogen 2.816 N/A THR 179.A OG1 LEU 174.A O no hydrogen 2.352 N/A THR 181.A N VAL 177.A O no hydrogen 3.194 N/A THR 181.A OG1 VAL 177.A O no hydrogen 3.279 N/A THR 181.A OG1 LEU 178.A O no hydrogen 2.527 N/A PHE 182.A N LEU 178.A O no hydrogen 3.128 N/A VAL 183.A N THR 179.A O no hydrogen 2.951 N/A PHE 184.A N PRO 180.A O no hydrogen 2.713 N/A CYS 185.A N THR 181.A O no hydrogen 3.001 N/A CYS 185.A SG TRP 190.A O no hydrogen 3.471 N/A MET 187.A N VAL 183.A O no hydrogen 3.011 N/A GLU 188.A N PHE 184.A O no hydrogen 2.707 N/A SER 191.A N GLU 194.A OE1 no hydrogen 2.759 N/A SER 191.A OG GLU 194.A OE1 no hydrogen 3.212 N/A GLU 194.A N SER 191.A OG no hydrogen 3.048 N/A ALA 195.A N SER 191.A O no hydrogen 2.898 N/A ILE 196.A N LYS 192.A O no hydrogen 2.979 N/A TYR 197.A N LEU 193.A O no hydrogen 2.995 N/A TYR 197.A OH ASP 210.A OD2 no hydrogen 2.759 N/A PHE 198.A N GLU 194.A O no hydrogen 2.838 N/A VAL 199.A N ALA 195.A O no hydrogen 2.815 N/A ILE 200.A N ILE 196.A O no hydrogen 2.876 N/A VAL 201.A N TYR 197.A O no hydrogen 2.894 N/A THR 202.A N PHE 198.A O no hydrogen 2.861 N/A THR 202.A N VAL 199.A O no hydrogen 3.079 N/A THR 202.A OG1 TYR 99.A OH no hydrogen 2.759 N/A THR 202.A OG1 PHE 198.A O no hydrogen 2.512 N/A LEU 203.A N VAL 199.A O no hydrogen 2.877 N/A THR 204.A N ILE 200.A O no hydrogen 3.033 N/A THR 204.A OG1 ILE 200.A O no hydrogen 2.404 N/A THR 204.A OG1 VAL 201.A O no hydrogen 3.235 N/A THR 205.A N THR 202.A O no hydrogen 2.850 N/A THR 205.A OG1 THR 204.A O no hydrogen 2.548 N/A GLY 207.A N VAL 201.A O no hydrogen 2.968 N/A TYR 211.A OH GLU 194.A OE2 no hydrogen 2.531 N/A SER 221.A N ARG 218.A O no hydrogen 3.149 N/A SER 221.A OG ASP 220.A O no hydrogen 2.698 N/A TYR 224.A OH GLU 188.A OE2 no hydrogen 2.495 N/A GLN 225.A NE2 GLY 214.A O no hydrogen 2.525 N/A LEU 227.A N ALA 223.A O no hydrogen 3.056 N/A VAL 228.A N TYR 224.A O no hydrogen 3.022 N/A TRP 229.A N GLN 225.A O no hydrogen 3.444 N/A PHE 230.A N PRO 226.A O no hydrogen 2.789 N/A TRP 231.A N LEU 227.A O no hydrogen 2.598 N/A TRP 231.A NE1 PHE 176.A O no hydrogen 3.075 N/A ILE 232.A N VAL 228.A O no hydrogen 2.833 N/A LEU 233.A N TRP 229.A O no hydrogen 2.997 N/A LEU 234.A N PHE 230.A O no hydrogen 3.020 N/A GLY 235.A N TRP 231.A O no hydrogen 2.651 N/A LEU 236.A N ILE 232.A O no hydrogen 2.843 N/A ALA 237.A N LEU 233.A O no hydrogen 3.258 N/A TYR 238.A N LEU 234.A O no hydrogen 3.004 N/A PHE 239.A N GLY 235.A O no hydrogen 2.820 N/A ALA 240.A N LEU 236.A O no hydrogen 2.782 N/A SER 241.A N ALA 237.A O no hydrogen 3.035 N/A SER 241.A OG ALA 237.A O no hydrogen 2.860 N/A VAL 242.A N TYR 238.A O no hydrogen 3.230 N/A LEU 243.A N PHE 239.A O no hydrogen 3.004 N/A THR 244.A N ALA 240.A O no hydrogen 2.824 N/A THR 244.A OG1 ALA 240.A O no hydrogen 3.520 N/A THR 244.A OG1 SER 241.A O no hydrogen 2.877 N/A THR 245.A N SER 241.A O no hydrogen 3.154 N/A THR 245.A OG1 SER 241.A O no hydrogen 3.238 N/A THR 245.A OG1 VAL 242.A O no hydrogen 3.137 N/A ILE 246.A N VAL 242.A O no hydrogen 2.810 N/A GLY 247.A N LEU 243.A O no hydrogen 2.436 N/A ASN 248.A N THR 244.A O no hydrogen 2.466 N/A TRP 249.A N THR 245.A O no hydrogen 2.576 N/A LEU 250.A N ILE 246.A O no hydrogen 3.049 N/A ARG 251.A N GLY 247.A O no hydrogen 3.085 N/A