Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wcs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N LEU 234.A O no hydrogen 3.537 N/A SER 2.A N LEU 234.A O no hydrogen 2.805 N/A THR 4.A N SER 232.A O no hydrogen 3.057 N/A PHE 6.A N PHE 230.A O no hydrogen 2.955 N/A SER 7.A OG SER 229.A OG no hydrogen 2.488 N/A PHE 8.A N TRP 228.A O no hydrogen 2.754 N/A ARG 10.A NH1 GLN 9.A O no hydrogen 2.836 N/A PHE 11.A N GLY 28.A O no hydrogen 2.886 N/A GLU 13.A N GLU 13.A OE1 no hydrogen 2.691 N/A THR 14.A N ASN 12.A OD1 no hydrogen 2.870 N/A THR 14.A OG1 ASN 12.A OD1 no hydrogen 2.671 N/A LEU 16.A N GLU 13.A O no hydrogen 3.098 N/A ILE 17.A N PHE 50.A O no hydrogen 2.789 N/A GLN 19.A N ARG 48.A O no hydrogen 2.845 N/A GLN 19.A NE2 SER 97.A O no hydrogen 2.879 N/A ASP 21.A N LEU 46.A O no hydrogen 2.884 N/A ALA 22.A N GLN 19.A O no hydrogen 3.331 N/A THR 23.A N ARG 31.A O no hydrogen 2.986 N/A SER 25.A N GLN 29.A O no hydrogen 2.936 N/A LYS 27.A N SER 25.A OG no hydrogen 3.117 N/A GLY 28.A N SER 25.A O no hydrogen 2.873 N/A GLN 29.A N SER 25.A OG no hydrogen 3.138 N/A LEU 30.A N ILE 225.A O no hydrogen 3.003 N/A ARG 31.A N THR 23.A O no hydrogen 2.847 N/A ARG 31.A NE ASP 224.A OD1 no hydrogen 2.860 N/A ARG 31.A NH2 ASP 224.A OD2 no hydrogen 2.964 N/A LEU 32.A N ASN 223.A O no hydrogen 2.981 N/A ASN 34.A N SER 45.A OG no hydrogen 2.818 N/A ASN 34.A ND2 THR 42.A OG1 no hydrogen 2.855 N/A ASN 36.A N GLU 40.A O no hydrogen 2.820 N/A ASN 38.A N ASN 36.A OD1 no hydrogen 2.832 N/A GLY 39.A N ASN 36.A O no hydrogen 2.989 N/A GLU 40.A N ASN 36.A OD1 no hydrogen 2.993 N/A THR 42.A N ASN 34.A O no hydrogen 3.304 N/A SER 44.A N GLY 214.A O no hydrogen 2.882 N/A SER 45.A N THR 213.A OG1 no hydrogen 2.879 N/A SER 45.A OG ASP 21.A OD2 no hydrogen 2.629 N/A LEU 46.A N ASP 21.A OD2 no hydrogen 3.090 N/A GLY 47.A N ALA 211.A O no hydrogen 3.065 N/A ARG 48.A N GLN 19.A O no hydrogen 3.129 N/A ARG 48.A NE GLN 19.A OE1 no hydrogen 2.741 N/A ARG 48.A NH1 GLY 107.A O no hydrogen 3.044 N/A ARG 48.A NH2 GLN 19.A OE1 no hydrogen 3.055 N/A ARG 48.A NH2 SER 97.A OG no hydrogen 3.109 N/A ALA 49.A N PHE 209.A O no hydrogen 2.938 N/A PHE 50.A N ILE 17.A O no hydrogen 2.887 N/A TYR 51.A N VAL 207.A O no hydrogen 2.982 N/A SER 52.A N ASN 15.A O no hydrogen 2.940 N/A SER 52.A OG ASN 15.A O no hydrogen 2.781 N/A ILE 55.A N VAL 205.A O no hydrogen 2.769 N/A GLN 56.A NE2 TRP 58.A O no hydrogen 3.071 N/A GLN 56.A NE2 ASP 59.A OD1 no hydrogen 3.285 N/A ILE 57.A N GLU 203.A O no hydrogen 2.720 N/A TRP 58.A N GLU 203.A O no hydrogen 3.249 N/A TRP 58.A NE1 LEU 201.A O no hydrogen 2.823 N/A ASP 59.A N ALA 64.A O no hydrogen 2.956 N/A ASN 60.A N GLU 203.A OE1 no hydrogen 2.667 N/A THR 61.A N ASP 59.A OD2 no hydrogen 2.892 N/A THR 62.A N ASP 59.A OD2 no hydrogen 2.835 N/A THR 62.A OG1 ASP 59.A OD2 no hydrogen 3.419 N/A GLY 63.A N ASP 59.A O no hydrogen 2.831 N/A ALA 64.A N THR 62.A OG1 no hydrogen 3.075 N/A ALA 66.A N ILE 57.A O no hydrogen 2.734 N/A SER 67.A N LYS 233.A O no hydrogen 3.032 N/A SER 67.A OG SER 171.A OG no hydrogen 3.399 N/A PHE 68.A N TYR 169.A O no hydrogen 3.029 N/A ALA 69.A N ALA 231.A O no hydrogen 2.875 N/A THR 70.A N ILE 167.A O no hydrogen 2.785 N/A THR 70.A OG1 SER 229.A O no hydrogen 2.816 N/A SER 71.A N SER 229.A O no hydrogen 2.860 N/A PHE 72.A N VAL 165.A O no hydrogen 3.094 N/A THR 73.A N SER 227.A O no hydrogen 3.154 N/A THR 73.A OG1 SER 227.A OG no hydrogen 3.299 N/A PHE 74.A N ALA 163.A O no hydrogen 2.900 N/A ASN 75.A N ASP 224.A O no hydrogen 2.794 N/A ASN 75.A ND2 GLY 160.A O no hydrogen 3.077 N/A ASN 75.A ND2 ASN 162.A OD1 no hydrogen 2.871 N/A ASP 77.A N THR 222.A OG1 no hydrogen 2.894 N/A VAL 78.A N ASP 77.A OD1 no hydrogen 2.942 N/A SER 82.A N PRO 79.A O no hydrogen 3.177 N/A GLY 83.A N GLY 218.A O no hydrogen 2.827 N/A ASP 86.A N THR 212.A O no hydrogen 2.951 N/A LEU 88.A N PHE 125.A O no hydrogen 3.114 N/A ALA 89.A N THR 210.A O no hydrogen 2.857 N/A PHE 90.A N VAL 123.A O no hydrogen 3.043 N/A VAL 91.A N GLY 208.A O no hydrogen 2.737 N/A LEU 92.A N VAL 121.A O no hydrogen 2.877 N/A LEU 93.A N ILE 206.A O no hydrogen 3.067 N/A SER 97.A N PRO 94.A O no hydrogen 3.033 N/A LYS 100.A N GLY 107.A O no hydrogen 3.030 N/A LYS 100.A NZ GLN 98.A O no hydrogen 2.769 N/A ASP 101.A N PHE 109.A O no hydrogen 3.016 N/A LYS 102.A NZ SER 44.A O no hydrogen 3.230 N/A LEU 105.A N LYS 102.A O no hydrogen 3.245 N/A LEU 106.A N GLY 103.A O no hydrogen 2.982 N/A GLY 107.A N ASP 101.A O no hydrogen 2.754 N/A LEU 108.A N LEU 105.A O no hydrogen 2.999 N/A LYS 113.A N ASN 111.A OD1 no hydrogen 2.940 N/A ASP 115.A N ASN 145.A O no hydrogen 2.980 N/A ASN 117.A N ASP 115.A OD1 no hydrogen 2.991 N/A ALA 118.A N ASP 115.A O no hydrogen 2.977 N/A HIS 119.A ND1 VAL 200.A O no hydrogen 2.854 N/A THR 120.A N ASN 145.A OD1 no hydrogen 2.949 N/A THR 120.A OG1 ALA 118.A O no hydrogen 2.844 N/A VAL 121.A N LEU 92.A O no hydrogen 3.363 N/A ALA 122.A N ASP 143.A O no hydrogen 2.834 N/A VAL 123.A N PHE 90.A O no hydrogen 2.787 N/A GLU 124.A N GLY 141.A O no hydrogen 2.768 N/A PHE 125.A N LEU 88.A O no hydrogen 2.773 N/A ASP 126.A N HIS 139.A O no hydrogen 2.973 N/A THR 127.A N ASP 86.A O no hydrogen 3.238 N/A THR 127.A OG1 GLU 221.A OE1 no hydrogen 2.806 N/A LEU 128.A N ASP 126.A OD1 no hydrogen 3.212 N/A ASN 130.A N ASP 134.A OD2 no hydrogen 3.034 N/A TRP 133.A N ASN 130.A O no hydrogen 3.115 N/A ASP 134.A N ASN 130.A O no hydrogen 2.919 N/A ARG 138.A NE THR 127.A O no hydrogen 2.854 N/A HIS 139.A N ASP 126.A O no hydrogen 3.260 N/A HIS 139.A ND1 PRO 137.A O no hydrogen 2.992 N/A ILE 140.A N THR 153.A O no hydrogen 2.989 N/A GLY 141.A N GLU 124.A O no hydrogen 2.912 N/A ILE 142.A N LYS 151.A O no hydrogen 2.938 N/A ASP 143.A N ALA 122.A O no hydrogen 2.845 N/A ASN 145.A N THR 120.A O no hydrogen 2.840 N/A ASN 145.A ND2 TYR 114.A OH no hydrogen 3.227 N/A LYS 148.A N SER 146.A OG no hydrogen 3.000 N/A SER 149.A OG ASP 143.A OD1 no hydrogen 2.627 N/A ILE 150.A N ILE 142.A O no hydrogen 2.827 N/A LYS 151.A NZ SER 192.A O no hydrogen 2.761 N/A THR 153.A N ILE 140.A O no hydrogen 3.005 N/A THR 153.A OG1 ILE 190.A O no hydrogen 3.545 N/A TRP 155.A N ARG 138.A O no hydrogen 2.810 N/A PHE 157.A N TRP 155.A O no hydrogen 2.905 N/A VAL 158.A N TYR 182.A OH no hydrogen 3.096 N/A LYS 159.A NZ VAL 78.A O no hydrogen 3.313 N/A LYS 159.A NZ ASN 80.A OD1 no hydrogen 2.999 N/A GLY 160.A N ILE 76.A O no hydrogen 2.758 N/A ALA 163.A N PHE 74.A O no hydrogen 2.895 N/A GLU 164.A N VAL 181.A O no hydrogen 2.835 N/A VAL 165.A N PHE 72.A O no hydrogen 2.800 N/A LEU 166.A N SER 179.A O no hydrogen 2.986 N/A ILE 167.A N THR 70.A O no hydrogen 2.836 N/A THR 168.A N VAL 177.A O no hydrogen 2.869 N/A TYR 169.A N PHE 68.A O no hydrogen 2.763 N/A TYR 169.A OH VAL 195.A O no hydrogen 2.684 N/A ASP 170.A N LEU 175.A O no hydrogen 3.077 N/A SER 171.A N SER 67.A OG no hydrogen 3.028 N/A SER 171.A OG VAL 65.A O no hydrogen 2.776 N/A SER 171.A OG SER 67.A OG no hydrogen 3.399 N/A SER 172.A N ASP 170.A OD1 no hydrogen 2.883 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.749 N/A THR 173.A N ASP 170.A O no hydrogen 3.264 N/A THR 173.A OG1 ASP 170.A O no hydrogen 3.412 N/A LEU 175.A N THR 173.A OG1 no hydrogen 3.232 N/A LEU 176.A N ASP 193.A O no hydrogen 2.809 N/A VAL 177.A N THR 168.A O no hydrogen 2.896 N/A ALA 178.A N VAL 191.A O no hydrogen 2.855 N/A SER 179.A N LEU 166.A O no hydrogen 2.934 N/A SER 179.A OG LEU 166.A O no hydrogen 3.430 N/A LEU 180.A N PHE 189.A O no hydrogen 2.993 N/A VAL 181.A N GLU 164.A O no hydrogen 2.885 N/A TYR 182.A N THR 187.A O no hydrogen 2.985 N/A SER 184.A OG GLU 161.A OE1 no hydrogen 2.284 N/A LEU 185.A N TYR 182.A O no hydrogen 3.116 N/A LYS 186.A N TYR 182.A O no hydrogen 2.791 N/A PHE 189.A N LEU 180.A O no hydrogen 2.926 N/A VAL 191.A N ALA 178.A O no hydrogen 2.856 N/A ASP 193.A N LEU 176.A O no hydrogen 3.054 N/A THR 194.A N ASP 193.A OD1 no hydrogen 2.829 N/A VAL 195.A N LYS 174.A O no hydrogen 2.933 N/A LYS 198.A NZ GLY 63.A O no hydrogen 3.016 N/A SER 199.A N ASP 196.A O no hydrogen 3.192 N/A SER 199.A OG ASP 196.A O no hydrogen 2.976 N/A VAL 200.A N LEU 197.A O no hydrogen 3.034 N/A LEU 201.A N LEU 197.A O no hydrogen 2.820 N/A VAL 205.A N ILE 55.A O no hydrogen 2.883 N/A ILE 206.A N LEU 93.A O no hydrogen 2.805 N/A GLY 208.A N VAL 91.A O no hydrogen 3.155 N/A PHE 209.A N ALA 49.A O no hydrogen 2.818 N/A THR 210.A N ALA 89.A O no hydrogen 2.957 N/A THR 210.A OG1 LEU 106.A O no hydrogen 2.633 N/A ALA 211.A N GLY 47.A O no hydrogen 3.002 N/A THR 212.A N GLY 87.A O no hydrogen 3.267 N/A THR 212.A OG1 GLY 103.A O no hydrogen 2.709 N/A THR 213.A N SER 45.A O no hydrogen 3.025 N/A THR 213.A OG1 THR 42.A O no hydrogen 2.716 N/A ASN 219.A N THR 216.A O no hydrogen 3.146 N/A ASN 219.A ND2 THR 216.A O no hydrogen 3.151 N/A VAL 220.A N GLY 83.A O no hydrogen 2.951 N/A THR 222.A N ASP 77.A O no hydrogen 2.885 N/A THR 222.A OG1 ASP 77.A O no hydrogen 3.470 N/A ASN 223.A ND2 THR 33.A OG1 no hydrogen 2.917 N/A ASN 223.A ND2 THR 212.A O no hydrogen 3.318 N/A ASP 224.A N ASN 75.A O no hydrogen 3.143 N/A ILE 225.A N LEU 30.A O no hydrogen 2.812 N/A LEU 226.A N THR 73.A O no hydrogen 2.792 N/A SER 227.A OG THR 73.A OG1 no hydrogen 3.299 N/A TRP 228.A N PHE 8.A O no hydrogen 2.980 N/A TRP 228.A NE1 THR 70.A OG1 no hydrogen 2.849 N/A SER 229.A N SER 71.A O no hydrogen 2.870 N/A SER 229.A OG SER 7.A OG no hydrogen 2.488 N/A PHE 230.A N PHE 6.A O no hydrogen 2.915 N/A ALA 231.A N ALA 69.A O no hydrogen 2.929 N/A SER 232.A N THR 4.A O no hydrogen 2.869 N/A LYS 233.A N SER 67.A O no hydrogen 3.001 N/A LEU 234.A N SER 2.A O no hydrogen 2.863 N/A THR 238.A N ASP 236.A OD1 no hydrogen 2.821 N/A