Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wwp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N SER 260.A OG no hydrogen 2.895 N/A SER 6.A OG GLY 33.A O no hydrogen 2.673 N/A ALA 7.A N HIS 34.A ND1 no hydrogen 2.976 N/A HIS 8.A NE2 THR 37.A OG1 no hydrogen 2.744 N/A PHE 9.A N ASN 35.A O no hydrogen 2.816 N/A ILE 10.A N ILE 78.A O no hydrogen 2.887 N/A LEU 11.A N THR 37.A O no hydrogen 2.832 N/A ILE 12.A N VAL 80.A O no hydrogen 2.845 N/A THR 14.A N GLU 82.A OE2 no hydrogen 2.790 N/A CYS 16.A SG VAL 149.A O no hydrogen 3.669 N/A HIS 17.A N THR 14.A O no hydrogen 3.164 N/A HIS 17.A ND1 ILE 15.A O no hydrogen 3.105 N/A ALA 19.A N ASP 40.A OD1 no hydrogen 2.890 N/A LEU 21.A N GLY 18.A O no hydrogen 3.089 N/A TRP 22.A N ALA 19.A O no hydrogen 3.059 N/A TYR 23.A N TRP 20.A O no hydrogen 3.154 N/A TYR 23.A OH ASP 168.A OD1 no hydrogen 2.579 N/A LYS 24.A NZ ASP 168.A OD2 no hydrogen 2.815 N/A LYS 24.A NZ ILE 242.A O no hydrogen 2.836 N/A LEU 25.A N TRP 22.A O no hydrogen 3.083 N/A ILE 26.A N TRP 22.A O no hydrogen 3.212 N/A LEU 29.A N LEU 25.A O no hydrogen 3.131 N/A GLN 30.A N ILE 26.A O no hydrogen 2.924 N/A GLN 30.A NE2 ALA 36.A O no hydrogen 3.688 N/A SER 31.A N PRO 27.A O no hydrogen 2.769 N/A ALA 32.A N LEU 28.A O no hydrogen 3.142 N/A GLY 33.A N GLN 30.A O no hydrogen 3.004 N/A HIS 34.A N LEU 29.A O no hydrogen 2.983 N/A ASN 35.A N ALA 7.A O no hydrogen 2.904 N/A THR 37.A N PHE 9.A O no hydrogen 2.832 N/A THR 37.A OG1 HIS 8.A NE2 no hydrogen 2.744 N/A VAL 42.A N TYR 60.A O no hydrogen 3.334 N/A ALA 43.A N ASP 47.A OD2 no hydrogen 2.980 N/A SER 44.A N LEU 41.A O no hydrogen 3.169 N/A SER 44.A OG HIS 13.A NE2 no hydrogen 3.388 N/A SER 44.A OG VAL 42.A O no hydrogen 2.914 N/A ILE 46.A N ASP 40.A OD2 no hydrogen 2.991 N/A ASP 47.A N SER 44.A O no hydrogen 2.902 N/A ARG 49.A N ASP 47.A OD2 no hydrogen 3.074 N/A ARG 49.A NE ASP 47.A OD1 no hydrogen 3.331 N/A ARG 49.A NE ASP 47.A OD2 no hydrogen 2.811 N/A ARG 49.A NH2 ASP 47.A OD1 no hydrogen 2.881 N/A GLN 50.A N GLN 53.A OE1 no hydrogen 2.857 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.879 N/A GLN 53.A N GLN 50.A O no hydrogen 3.059 N/A ILE 54.A N LEU 51.A O no hydrogen 3.017 N/A GLY 55.A N GLN 59.A OE1 no hydrogen 3.028 N/A THR 56.A OG1 GLN 59.A OE1 no hydrogen 2.735 N/A TRP 57.A N ASP 185.A OD2 no hydrogen 2.859 N/A TRP 57.A NE1 PHE 181.A O no hydrogen 2.767 N/A GLN 59.A N THR 56.A OG1 no hydrogen 3.194 N/A GLN 59.A NE2 TYR 141.A OH no hydrogen 2.910 N/A TYR 60.A N THR 56.A O no hydrogen 2.970 N/A SER 61.A N TRP 57.A O no hydrogen 2.947 N/A SER 61.A OG TRP 57.A O no hydrogen 2.682 N/A SER 61.A OG ASN 88.A OD1 no hydrogen 2.870 N/A GLU 62.A N GLN 59.A O no hydrogen 3.218 N/A LEU 64.A N SER 61.A O no hydrogen 2.846 N/A PHE 65.A N SER 61.A O no hydrogen 3.124 N/A THR 66.A N GLU 62.A O no hydrogen 2.802 N/A THR 66.A OG1 GLU 62.A O no hydrogen 3.062 N/A THR 66.A OG1 GLU 62.A OE2 no hydrogen 2.740 N/A LEU 67.A N PRO 63.A O no hydrogen 3.099 N/A ILE 68.A N LEU 64.A O no hydrogen 3.015 N/A GLU 69.A N PHE 65.A O no hydrogen 2.979 N/A SER 70.A N THR 66.A O no hydrogen 3.275 N/A SER 70.A N LEU 67.A O no hydrogen 3.066 N/A SER 70.A OG LEU 67.A O no hydrogen 2.635 N/A ILE 71.A N ILE 68.A O no hydrogen 3.058 N/A LYS 75.A N PRO 72.A O no hydrogen 2.928 N/A VAL 77.A N LYS 99.A O no hydrogen 2.800 N/A ILE 78.A N HIS 8.A O no hydrogen 2.937 N/A LEU 79.A N ALA 102.A O no hydrogen 3.055 N/A VAL 80.A N ILE 10.A O no hydrogen 2.858 N/A GLY 81.A N VAL 104.A O no hydrogen 2.916 N/A GLU 82.A N ILE 12.A O no hydrogen 3.071 N/A SER 83.A N HIS 106.A O no hydrogen 3.097 N/A SER 83.A OG HIS 238.A NE2 no hydrogen 2.951 N/A GLY 84.A N THR 14.A OG1 no hydrogen 2.823 N/A GLY 85.A N GLU 82.A O no hydrogen 2.833 N/A GLY 86.A N SER 83.A O no hydrogen 3.063 N/A ILE 87.A N GLY 84.A O no hydrogen 2.986 N/A ILE 89.A N GLY 85.A O no hydrogen 3.044 N/A ALA 90.A N GLY 86.A O no hydrogen 3.134 N/A LEU 91.A N ILE 87.A O no hydrogen 2.914 N/A ALA 92.A N ASN 88.A O no hydrogen 2.989 N/A ALA 93.A N ILE 89.A O no hydrogen 2.957 N/A GLU 94.A N ALA 90.A O no hydrogen 2.933 N/A LYS 95.A N LEU 91.A O no hydrogen 3.099 N/A LYS 95.A NZ GLU 58.A OE2 no hydrogen 3.371 N/A TYR 96.A N ALA 92.A O no hydrogen 2.775 N/A TYR 96.A OH GLU 69.A OE2 no hydrogen 2.500 N/A GLU 98.A N GLU 98.A OE2 no hydrogen 2.833 N/A LYS 99.A N TYR 96.A O no hydrogen 2.937 N/A LYS 99.A NZ ILE 71.A O no hydrogen 3.433 N/A LYS 99.A NZ PRO 72.A O no hydrogen 2.920 N/A LYS 99.A NZ LYS 75.A O no hydrogen 2.811 N/A VAL 100.A N PRO 97.A O no hydrogen 3.320 N/A SER 101.A N VAL 77.A O no hydrogen 2.898 N/A SER 101.A OG VAL 77.A O no hydrogen 3.217 N/A LEU 103.A N ARG 201.A O no hydrogen 2.791 N/A VAL 104.A N LEU 79.A O no hydrogen 2.763 N/A PHE 105.A N VAL 203.A O no hydrogen 2.841 N/A HIS 106.A N GLY 81.A O no hydrogen 2.873 N/A ASN 107.A N VAL 205.A O no hydrogen 2.818 N/A ASN 107.A ND2 ASP 237.A O no hydrogen 3.093 N/A ASN 107.A ND2 HIS 238.A O no hydrogen 2.811 N/A LEU 109.A N SER 83.A O no hydrogen 3.046 N/A MET 110.A N GLN 221.A OE1 no hydrogen 2.863 N/A ASP 114.A N ASP 112.A OD1 no hydrogen 3.184 N/A HIS 115.A N ASP 112.A OD1 no hydrogen 2.900 N/A HIS 115.A ND1 ASP 112.A OD2 no hydrogen 2.692 N/A SER 116.A OG ASP 187.A O no hydrogen 3.563 N/A SER 116.A OG ASP 187.A OD1 no hydrogen 2.767 N/A ALA 118.A N SER 116.A OG no hydrogen 3.162 N/A PHE 119.A N SER 116.A O no hydrogen 2.991 N/A LYS 122.A N ALA 118.A O no hydrogen 2.821 N/A LYS 122.A NZ ASP 187.A OD1 no hydrogen 2.974 N/A LYS 123.A N PHE 119.A O no hydrogen 3.096 N/A PHE 124.A N VAL 120.A O no hydrogen 2.903 N/A SER 125.A N TYR 121.A O no hydrogen 2.871 N/A SER 125.A OG TYR 121.A O no hydrogen 2.962 N/A GLU 126.A N LYS 122.A O no hydrogen 3.017 N/A VAL 127.A N LYS 123.A O no hydrogen 3.059 N/A VAL 127.A N PHE 124.A O no hydrogen 3.065 N/A PHE 128.A N PHE 124.A O no hydrogen 2.868 N/A TRP 131.A N THR 129.A O no hydrogen 2.982 N/A LYS 132.A NZ GLU 158.A OE1 no hydrogen 2.693 N/A LYS 132.A NZ ASN 159.A OD1 no hydrogen 2.804 N/A SER 134.A N TRP 131.A O no hydrogen 2.923 N/A SER 134.A OG TRP 131.A O no hydrogen 3.326 N/A SER 134.A OG THR 155.A OG1 no hydrogen 2.729 N/A ILE 135.A N GLU 150.A O no hydrogen 2.914 N/A SER 137.A N ALA 148.A O no hydrogen 2.928 N/A TYR 139.A N VAL 146.A O no hydrogen 3.008 N/A TYR 139.A OH ILE 54.A O no hydrogen 2.772 N/A TYR 141.A N ASP 144.A O no hydrogen 2.963 N/A ASP 144.A N TYR 141.A O no hydrogen 2.988 N/A VAL 146.A N TYR 139.A O no hydrogen 2.787 N/A ALA 148.A N SER 137.A O no hydrogen 2.867 N/A VAL 149.A N GLY 179.A O no hydrogen 2.745 N/A GLU 150.A N ILE 135.A O no hydrogen 2.849 N/A GLY 152.A N SER 134.A OG no hydrogen 2.937 N/A ARG 154.A N ASP 133.A OD2 no hydrogen 2.919 N/A THR 155.A N ASP 133.A OD1 no hydrogen 3.270 N/A THR 155.A OG1 SER 134.A OG no hydrogen 2.729 N/A LEU 156.A N GLY 152.A O no hydrogen 2.920 N/A ALA 157.A N ASP 153.A O no hydrogen 2.906 N/A GLU 158.A N ARG 154.A O no hydrogen 2.780 N/A ASN 159.A N THR 155.A O no hydrogen 2.947 N/A ASN 159.A ND2 GLN 211.A O no hydrogen 2.902 N/A ILE 160.A N THR 155.A O no hydrogen 3.110 N/A PHE 161.A N LEU 156.A O no hydrogen 2.786 N/A ASN 163.A N ASP 237.A OD2 no hydrogen 2.731 N/A ASN 163.A ND2 SER 235.A O no hydrogen 2.805 N/A SER 164.A N PHE 161.A O no hydrogen 3.214 N/A SER 164.A OG ASP 237.A OD2 no hydrogen 2.790 N/A VAL 169.A N PRO 165.A O no hydrogen 3.386 N/A GLU 170.A N ILE 166.A O no hydrogen 3.008 N/A LEU 171.A N GLU 167.A O no hydrogen 2.864 N/A ALA 172.A N ASP 168.A O no hydrogen 3.030 N/A LYS 173.A N VAL 169.A O no hydrogen 2.927 N/A LYS 173.A NZ GLU 170.A OE1 no hydrogen 3.350 N/A HIS 174.A N GLU 170.A O no hydrogen 3.265 N/A HIS 174.A N LEU 171.A O no hydrogen 3.062 N/A HIS 174.A ND1 GLU 170.A O no hydrogen 2.895 N/A LEU 175.A N ALA 172.A O no hydrogen 2.963 N/A VAL 176.A N ALA 172.A O no hydrogen 2.874 N/A ARG 177.A N CYS 16.A O no hydrogen 2.959 N/A ARG 177.A NH1 GLY 45.A O no hydrogen 2.865 N/A ARG 177.A NH1 ASP 47.A O no hydrogen 2.936 N/A ARG 177.A NH2 ARG 49.A O no hydrogen 2.924 N/A LYS 178.A NZ GLU 52.A OE2 no hydrogen 2.836 N/A GLY 179.A N VAL 149.A O no hydrogen 3.014 N/A SER 180.A OG THR 147.A O no hydrogen 2.719 N/A PHE 182.A N SER 180.A OG no hydrogen 3.002 N/A LEU 186.A N PHE 182.A O no hydrogen 2.897 N/A ASP 187.A N GLU 183.A O no hydrogen 2.893 N/A THR 188.A N ASP 185.A O no hydrogen 2.968 N/A THR 188.A OG1 GLN 184.A O no hydrogen 2.885 N/A THR 188.A OG1 ASP 185.A O no hydrogen 3.146 N/A LEU 189.A N LEU 186.A O no hydrogen 3.420 N/A THR 193.A N GLU 94.A OE1 no hydrogen 3.022 N/A THR 193.A OG1 GLU 94.A OE1 no hydrogen 3.510 N/A THR 193.A OG1 GLU 94.A OE2 no hydrogen 2.606 N/A SER 194.A OG GLU 195.A OE2 no hydrogen 3.193 N/A GLY 196.A N THR 193.A O no hydrogen 3.211 N/A GLY 196.A N THR 193.A OG1 no hydrogen 3.104 N/A TYR 197.A N GLU 94.A OE1 no hydrogen 2.814 N/A TYR 197.A OH PRO 111.A O no hydrogen 2.583 N/A GLY 198.A N THR 193.A O no hydrogen 2.934 N/A SER 199.A N GLY 196.A O no hydrogen 3.014 N/A SER 199.A OG GLU 195.A O no hydrogen 3.143 N/A SER 199.A OG GLY 196.A O no hydrogen 2.663 N/A ILE 200.A N TYR 197.A O no hydrogen 3.466 N/A ARG 202.A N ASP 228.A OD2 no hydrogen 2.916 N/A ARG 202.A NH1 LYS 226.A O no hydrogen 3.136 N/A ARG 202.A NH2 TYR 225.A O no hydrogen 2.786 N/A VAL 203.A N LEU 103.A O no hydrogen 2.840 N/A TYR 204.A N LYS 229.A O no hydrogen 2.880 N/A TYR 204.A OH GLN 218.A OE1 no hydrogen 2.587 N/A VAL 205.A N PHE 105.A O no hydrogen 2.739 N/A TYR 206.A N TYR 231.A O no hydrogen 2.910 N/A GLY 207.A N ASN 107.A OD1 no hydrogen 2.851 N/A GLU 208.A N VAL 233.A O no hydrogen 2.976 N/A GLU 209.A N ALA 236.A O no hydrogen 2.802 N/A ASP 210.A N GLY 207.A O no hydrogen 3.439 N/A ILE 212.A N ASP 210.A OD1 no hydrogen 2.835 N/A PHE 213.A N ASP 210.A OD1 no hydrogen 2.857 N/A ARG 215.A NH2 GLU 208.A O no hydrogen 2.894 N/A GLN 218.A N SER 214.A O no hydrogen 2.932 N/A GLN 218.A NE2 ASN 107.A OD1 no hydrogen 2.967 N/A GLN 218.A NE2 PHE 213.A O no hydrogen 3.148 N/A LEU 219.A N ARG 215.A O no hydrogen 2.904 N/A TRP 220.A N ASP 216.A O no hydrogen 2.805 N/A GLN 221.A N PHE 217.A O no hydrogen 2.903 N/A GLN 221.A NE2 ALA 108.A O no hydrogen 2.880 N/A GLN 221.A NE2 TYR 204.A OH no hydrogen 2.939 N/A ILE 222.A N GLN 218.A O no hydrogen 2.990 N/A ASN 223.A N LEU 219.A O no hydrogen 2.951 N/A ASN 224.A N TRP 220.A O no hydrogen 2.842 N/A ASN 224.A ND2 ASP 112.A OD2 no hydrogen 2.820 N/A TYR 225.A N GLN 221.A O no hydrogen 3.298 N/A ASP 228.A N ARG 202.A O no hydrogen 2.838 N/A TYR 231.A N TYR 204.A O no hydrogen 2.826 N/A TYR 231.A OH GLU 254.A OE2 no hydrogen 2.520 N/A VAL 233.A N TYR 206.A O no hydrogen 2.761 N/A SER 235.A N GLU 208.A OE1 no hydrogen 2.845 N/A ALA 236.A N VAL 233.A O no hydrogen 3.290 N/A ASP 237.A N SER 243.A OG no hydrogen 3.164 N/A HIS 238.A ND1 ASP 210.A OD2 no hydrogen 2.669 N/A HIS 238.A NE2 SER 83.A OG no hydrogen 2.951 N/A LYS 239.A N ASP 237.A OD1 no hydrogen 2.848 N/A LYS 239.A NZ GLU 82.A OE1 no hydrogen 2.755 N/A LYS 239.A NZ GLU 82.A OE2 no hydrogen 3.167 N/A GLN 241.A N HIS 106.A NE2 no hydrogen 3.164 N/A GLN 241.A N GLN 241.A OE1 no hydrogen 2.939 N/A GLN 241.A NE2 GLU 82.A OE1 no hydrogen 3.408 N/A ILE 242.A N LYS 239.A O no hydrogen 2.809 N/A SER 243.A N LYS 239.A O no hydrogen 2.866 N/A SER 243.A OG ASP 237.A OD1 no hydrogen 2.663 N/A SER 243.A OG LYS 239.A O no hydrogen 3.148 N/A LYS 244.A N ILE 240.A O no hydrogen 2.923 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.834 N/A LEU 248.A N LYS 244.A O no hydrogen 3.032 N/A ALA 249.A N VAL 245.A O no hydrogen 2.890 N/A GLN 250.A N ASN 246.A O no hydrogen 3.137 N/A ILE 251.A N GLU 247.A O no hydrogen 3.099 N/A LEU 252.A N LEU 248.A O no hydrogen 2.927 N/A GLN 253.A N ALA 249.A O no hydrogen 2.922 N/A GLU 254.A N GLN 250.A O no hydrogen 3.050 N/A VAL 255.A N ILE 251.A O no hydrogen 2.950 N/A ALA 256.A N LEU 252.A O no hydrogen 2.938 N/A ASN 257.A N GLN 253.A O no hydrogen 2.964 N/A SER 258.A N GLU 254.A O no hydrogen 2.954 N/A ALA 259.A N VAL 255.A O no hydrogen 3.198 N/A SER 260.A N ALA 256.A O no hydrogen 2.784 N/A ASP 261.A N ASN 257.A O no hydrogen 2.844 N/A LEU 262.A N SER 258.A O no hydrogen 3.083 N/A LEU 263.A N ALA 259.A O no hydrogen 3.260 N/A ALA 264.A N SER 260.A O no hydrogen 3.050 N/A VAL 265.A N LEU 262.A O no hydrogen 3.150 N/A