Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rxs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG VAL 3.A O no hydrogen 2.982 N/A SER 1.A OG LEU 8.A O no hydrogen 3.497 N/A ASP 2.A N LEU 8.A O no hydrogen 2.707 N/A VAL 3.A N SER 1.A OG no hydrogen 3.417 N/A HIS 5.A N GLU 77.A OE1 no hydrogen 3.258 N/A HIS 5.A N GLU 77.A OE2 no hydrogen 2.814 N/A HIS 5.A ND1 GLU 77.A OE1 no hydrogen 2.719 N/A LEU 6.A N GLU 77.A OE2 no hydrogen 2.993 N/A THR 9.A N ASP 12.A OD2 no hydrogen 2.869 N/A LYS 10.A N ASP 2.A OD2 no hydrogen 2.770 N/A ASP 12.A N THR 9.A O no hydrogen 2.867 N/A ASP 12.A N THR 9.A OG1 no hydrogen 3.297 N/A LEU 13.A N LYS 10.A O no hydrogen 3.155 N/A GLN 14.A N ASN 11.A O no hydrogen 3.102 N/A ALA 16.A N LEU 13.A O no hydrogen 2.866 N/A ALA 19.A N THR 85.A O no hydrogen 2.799 N/A ILE 20.A N ILE 60.A O no hydrogen 2.910 N/A VAL 21.A N LEU 87.A O no hydrogen 2.836 N/A ASP 26.A N ASP 24.A OD2 no hydrogen 2.706 N/A ARG 27.A N ASP 24.A O no hydrogen 2.938 N/A ILE 31.A N ARG 27.A O no hydrogen 3.106 N/A ALA 32.A N VAL 28.A O no hydrogen 2.964 N/A ALA 33.A N GLU 29.A O no hydrogen 2.894 N/A LEU 34.A N ILE 31.A O no hydrogen 3.025 N/A MET 35.A N ALA 32.A O no hydrogen 3.052 N/A ASP 36.A N GLU 53.A O no hydrogen 2.919 N/A VAL 39.A N ARG 51.A O no hydrogen 2.834 N/A LEU 41.A N THR 49.A O no hydrogen 2.746 N/A ALA 42.A N THR 49.A O no hydrogen 3.158 N/A SER 43.A OG THR 48.A OG1 no hydrogen 3.019 N/A HIS 44.A N PHE 47.A O no hydrogen 2.913 N/A GLU 46.A N GLU 46.A OE2 no hydrogen 2.734 N/A PHE 47.A N HIS 44.A O no hydrogen 2.682 N/A THR 48.A N SER 63.A OG no hydrogen 2.769 N/A THR 48.A OG1 SER 43.A OG no hydrogen 3.019 N/A THR 49.A N ALA 42.A O no hydrogen 2.733 N/A TRP 50.A N VAL 61.A O no hydrogen 2.824 N/A ARG 51.A N VAL 39.A O no hydrogen 2.792 N/A ARG 51.A NH2 ASP 12.A O no hydrogen 2.779 N/A ALA 52.A N VAL 59.A O no hydrogen 2.816 N/A GLU 53.A N ASP 36.A O no hydrogen 2.629 N/A LEU 54.A N LYS 57.A O no hydrogen 2.622 N/A LYS 57.A N LEU 54.A O no hydrogen 2.968 N/A VAL 59.A N ALA 52.A O no hydrogen 2.880 N/A ILE 60.A N LEU 18.A O no hydrogen 3.072 N/A VAL 61.A N TRP 50.A O no hydrogen 2.729 N/A CYS 62.A N ILE 20.A O no hydrogen 3.011 N/A CYS 62.A SG THR 49.A OG1 no hydrogen 3.371 N/A CYS 62.A SG SER 63.A O no hydrogen 3.827 N/A SER 63.A N THR 48.A O no hydrogen 3.105 N/A SER 63.A OG GLU 46.A O no hydrogen 2.644 N/A THR 64.A N PRO 22.A O no hydrogen 3.029 N/A THR 64.A OG1 PRO 22.A O no hydrogen 3.157 N/A THR 64.A OG1 GLY 65.A O no hydrogen 2.828 N/A GLY 65.A N GLY 23.A O no hydrogen 2.852 N/A GLY 67.A N GLU 195.A OE2 no hydrogen 2.779 N/A SER 70.A OG THR 64.A O no hydrogen 2.664 N/A SER 70.A OG ILE 66.A O no hydrogen 3.555 N/A THR 71.A N GLY 67.A O no hydrogen 3.265 N/A THR 71.A OG1 GLY 67.A O no hydrogen 2.817 N/A SER 72.A N GLY 68.A O no hydrogen 2.716 N/A SER 72.A OG PRO 69.A O no hydrogen 2.618 N/A ILE 73.A N PRO 69.A O no hydrogen 3.189 N/A ALA 74.A N SER 70.A O no hydrogen 2.940 N/A VAL 75.A N THR 71.A O no hydrogen 2.793 N/A GLU 76.A N SER 72.A O no hydrogen 3.085 N/A GLU 77.A N ILE 73.A O no hydrogen 2.942 N/A LEU 78.A N ALA 74.A O no hydrogen 2.776 N/A ALA 79.A N VAL 75.A O no hydrogen 2.786 N/A GLN 80.A N GLU 76.A O no hydrogen 2.969 N/A GLN 80.A NE2 GLU 76.A OE1 no hydrogen 2.667 N/A LEU 81.A N GLU 77.A O no hydrogen 3.132 N/A GLY 82.A N ALA 79.A O no hydrogen 3.024 N/A ILE 83.A N LEU 78.A O no hydrogen 2.988 N/A ARG 84.A N THR 17.A O no hydrogen 2.790 N/A ARG 84.A NH2 ALA 79.A O no hydrogen 2.923 N/A ARG 84.A NH2 ILE 83.A O no hydrogen 2.710 N/A THR 85.A N THR 17.A O no hydrogen 3.024 N/A PHE 86.A N ARG 209.A O no hydrogen 2.605 N/A LEU 87.A N ALA 19.A O no hydrogen 2.819 N/A ARG 88.A N GLY 211.A O no hydrogen 2.768 N/A ARG 88.A NH2 VAL 21.A O no hydrogen 3.035 N/A ARG 88.A NH2 THR 64.A OG1 no hydrogen 2.716 N/A GLY 90.A N VAL 213.A O no hydrogen 2.998 N/A THR 92.A N GLY 215.A O no hydrogen 2.999 N/A THR 92.A OG1 TYR 192.A O no hydrogen 2.809 N/A ALA 94.A N VAL 218.A O no hydrogen 3.128 N/A ILE 95.A N MET 190.A O no hydrogen 2.833 N/A GLN 96.A NE2 GLN 185.A O no hydrogen 2.974 N/A GLN 96.A NE2 VAL 189.A O no hydrogen 2.898 N/A ILE 99.A N GLN 96.A O no hydrogen 3.283 N/A ASN 100.A N ASP 103.A OD1 no hydrogen 2.958 N/A GLY 102.A N VAL 216.A O no hydrogen 2.893 N/A ASP 103.A N ASN 100.A O no hydrogen 2.902 N/A VAL 104.A N THR 147.A O no hydrogen 3.048 N/A LEU 105.A N ALA 214.A O no hydrogen 2.719 N/A VAL 106.A N HIS 149.A O no hydrogen 2.983 N/A THR 107.A N MET 212.A O no hydrogen 3.089 N/A THR 107.A OG1 THR 153.A OG1 no hydrogen 2.639 N/A THR 108.A N GLY 151.A O no hydrogen 2.737 N/A SER 110.A N ALA 127.A O no hydrogen 2.839 N/A SER 110.A OG SER 196.A OG no hydrogen 2.726 N/A VAL 111.A N THR 153.A O no hydrogen 2.784 N/A ARG 112.A NE SER 117.A OG no hydrogen 2.989 N/A ARG 112.A NH1 PRO 122.A O no hydrogen 2.710 N/A ARG 112.A NH1 PHE 125.A O no hydrogen 2.761 N/A ARG 112.A NH2 SER 117.A OG no hydrogen 3.065 N/A ARG 112.A NH2 ALA 121.A O no hydrogen 2.828 N/A LEU 113.A N SER 155.A O no hydrogen 2.785 N/A GLY 115.A N ASP 157.A OD1 no hydrogen 2.888 N/A SER 117.A N ASP 114.A OD2 no hydrogen 2.985 N/A SER 117.A OG ASP 114.A OD1 no hydrogen 2.547 N/A SER 117.A OG ASP 114.A OD2 no hydrogen 3.060 N/A LEU 118.A N GLY 115.A O no hydrogen 3.161 N/A HIS 119.A N ALA 116.A O no hydrogen 2.772 N/A PHE 120.A N SER 117.A O no hydrogen 2.957 N/A ALA 121.A N SER 117.A O no hydrogen 3.033 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.755 N/A PHE 125.A N PRO 122.A O no hydrogen 3.074 N/A ALA 129.A N THR 108.A O no hydrogen 2.941 N/A ASP 130.A N ALA 210.A O no hydrogen 2.885 N/A CYS 133.A N ASP 130.A OD1 no hydrogen 2.798 N/A CYS 133.A SG ASP 130.A OD1 no hydrogen 3.390 N/A THR 134.A N ASP 130.A O no hydrogen 2.964 N/A THR 134.A OG1 ASP 130.A O no hydrogen 3.049 N/A THR 135.A N PHE 131.A O no hydrogen 2.950 N/A THR 135.A OG1 PHE 131.A O no hydrogen 2.857 N/A ALA 136.A N GLU 132.A O no hydrogen 2.892 N/A LEU 137.A N CYS 133.A O no hydrogen 2.800 N/A VAL 138.A N THR 134.A O no hydrogen 2.890 N/A GLU 139.A N THR 135.A O no hydrogen 2.895 N/A ALA 140.A N ALA 136.A O no hydrogen 2.881 N/A ALA 141.A N LEU 137.A O no hydrogen 2.941 N/A LYS 142.A N VAL 138.A O no hydrogen 2.995 N/A SER 143.A N GLU 139.A O no hydrogen 3.078 N/A SER 143.A N ALA 140.A O no hydrogen 2.956 N/A SER 143.A OG ALA 140.A O no hydrogen 3.272 N/A ILE 144.A N ALA 140.A O no hydrogen 3.096 N/A GLY 145.A N ALA 141.A O no hydrogen 3.069 N/A THR 147.A OG1 ASP 103.A OD2 no hydrogen 3.049 N/A THR 148.A OG1 ALA 146.A O no hydrogen 3.420 N/A HIS 149.A N VAL 104.A O no hydrogen 2.874 N/A GLY 151.A N VAL 106.A O no hydrogen 3.124 N/A THR 153.A N ALA 109.A O no hydrogen 3.116 N/A THR 153.A OG1 THR 107.A OG1 no hydrogen 2.639 N/A THR 153.A OG1 ASN 191.A OD1 no hydrogen 2.688 N/A ALA 154.A N ASN 191.A O no hydrogen 2.810 N/A SER 155.A N VAL 111.A O no hydrogen 2.957 N/A SER 155.A OG GLU 193.A OE1 no hydrogen 2.587 N/A SER 155.A OG SER 196.A OG no hydrogen 3.199 N/A SER 156.A N GLU 193.A O no hydrogen 2.821 N/A SER 156.A OG THR 158.A O no hydrogen 2.677 N/A ASP 157.A N LEU 113.A O no hydrogen 3.067 N/A THR 158.A N SER 156.A OG no hydrogen 3.047 N/A GLY 162.A N THR 158.A OG1 no hydrogen 2.863 N/A GLN 163.A N TYR 160.A O no hydrogen 2.927 N/A GLN 163.A NE2 THR 158.A O no hydrogen 3.341 N/A GLU 164.A N PRO 161.A O no hydrogen 2.881 N/A ARG 165.A N TYR 160.A O no hydrogen 3.001 N/A ARG 165.A NH1 PHE 159.A O no hydrogen 3.060 N/A ARG 165.A NH1 GLN 163.A OE1 no hydrogen 2.916 N/A TYR 166.A OH GLU 164.A OE2 no hydrogen 2.559 N/A GLY 171.A N THR 168.A OG1 no hydrogen 2.975 N/A PHE 177.A N VAL 174.A O no hydrogen 2.842 N/A LYS 178.A N VAL 174.A O no hydrogen 3.183 N/A LYS 178.A N ARG 175.A O no hydrogen 3.298 N/A GLY 179.A N GLU 164.A OE2 no hydrogen 2.760 N/A SER 180.A N PHE 177.A O no hydrogen 3.068 N/A SER 180.A OG PHE 177.A O no hydrogen 2.442 N/A MET 181.A N GLU 164.A OE1 no hydrogen 2.918 N/A TRP 184.A N SER 180.A O no hydrogen 2.992 N/A GLN 185.A N MET 181.A O no hydrogen 2.992 N/A GLN 185.A NE2 ILE 95.A O no hydrogen 2.717 N/A ALA 186.A N GLU 182.A O no hydrogen 3.062 N/A MET 187.A N GLU 183.A O no hydrogen 3.106 N/A GLY 188.A N GLN 185.A O no hydrogen 2.887 N/A VAL 189.A N TRP 184.A O no hydrogen 3.066 N/A MET 190.A N VAL 152.A O no hydrogen 2.699 N/A ASN 191.A ND2 THR 92.A OG1 no hydrogen 2.826 N/A ASN 191.A ND2 TYR 192.A O no hydrogen 3.692 N/A TYR 192.A N GLY 93.A O no hydrogen 3.394 N/A GLU 193.A N ALA 154.A O no hydrogen 3.006 N/A GLU 195.A N GLU 193.A OE2 no hydrogen 2.789 N/A SER 196.A N GLU 193.A OE1 no hydrogen 2.976 N/A SER 196.A N GLU 193.A OE2 no hydrogen 2.918 N/A SER 196.A OG SER 110.A OG no hydrogen 2.726 N/A SER 196.A OG SER 155.A OG no hydrogen 3.199 N/A SER 196.A OG GLU 193.A OE1 no hydrogen 2.537 N/A ALA 197.A N SER 155.A OG no hydrogen 2.970 N/A THR 198.A OG1 ASP 114.A OD2 no hydrogen 2.647 N/A LEU 199.A N GLU 195.A O no hydrogen 3.040 N/A LEU 200.A N SER 196.A O no hydrogen 2.664 N/A THR 201.A N ALA 197.A O no hydrogen 3.144 N/A THR 201.A OG1 ALA 197.A O no hydrogen 2.856 N/A MET 202.A N THR 198.A O no hydrogen 2.882 N/A CYS 203.A N LEU 199.A O no hydrogen 3.022 N/A CYS 203.A SG LEU 199.A O no hydrogen 3.438 N/A ALA 204.A N LEU 200.A O no hydrogen 2.899 N/A SER 205.A N THR 201.A O no hydrogen 3.209 N/A SER 205.A OG THR 201.A O no hydrogen 2.994 N/A GLN 206.A N CYS 203.A O no hydrogen 2.947 N/A GLN 206.A NE2 MET 202.A O no hydrogen 2.933 N/A LEU 208.A N CYS 203.A O no hydrogen 3.147 N/A ARG 209.A N ARG 84.A O no hydrogen 2.792 N/A ARG 209.A NE THR 85.A OG1 no hydrogen 3.113 N/A ARG 209.A NH1 GLU 132.A OE2 no hydrogen 2.781 N/A ARG 209.A NH2 THR 85.A OG1 no hydrogen 2.885 N/A ARG 209.A NH2 LEU 249.A O no hydrogen 3.472 N/A GLY 211.A N PHE 86.A O no hydrogen 2.945 N/A VAL 213.A N ARG 88.A O no hydrogen 2.964 N/A ALA 214.A N LEU 105.A O no hydrogen 2.974 N/A GLY 215.A N GLY 90.A O no hydrogen 3.010 N/A VAL 216.A N ASP 103.A O no hydrogen 2.882 N/A ILE 217.A N THR 92.A O no hydrogen 2.908 N/A ASN 219.A ND2 GLN 96.A O no hydrogen 3.015 N/A ASN 219.A ND2 ILE 99.A O no hydrogen 2.771 N/A ARG 220.A N ALA 94.A O no hydrogen 3.155 N/A ARG 220.A NH1 GLN 163.A O no hydrogen 3.171 N/A ARG 220.A NH2 GLN 163.A O no hydrogen 2.825 N/A THR 221.A N ASN 219.A OD1 no hydrogen 2.856 N/A THR 221.A OG1 ASN 219.A OD1 no hydrogen 2.513 N/A GLN 222.A N ASN 219.A OD1 no hydrogen 3.420 N/A GLN 222.A NE2 GLU 224.A OE1 no hydrogen 3.093 N/A MET 231.A N ASN 227.A O no hydrogen 3.172 N/A LYS 232.A N ALA 228.A O no hydrogen 3.238 N/A GLN 233.A N GLU 229.A O no hydrogen 3.240 N/A THR 234.A N THR 230.A O no hydrogen 3.050 N/A THR 234.A OG1 THR 230.A O no hydrogen 3.007 N/A GLU 235.A N MET 231.A O no hydrogen 3.266 N/A SER 236.A N LYS 232.A O no hydrogen 3.305 N/A SER 236.A OG LYS 232.A O no hydrogen 3.246 N/A HIS 237.A N GLN 233.A O no hydrogen 3.167 N/A ALA 238.A N THR 234.A O no hydrogen 3.166 N/A VAL 239.A N GLU 235.A O no hydrogen 3.072 N/A LYS 240.A N SER 236.A O no hydrogen 2.947 N/A ILE 241.A N HIS 237.A O no hydrogen 3.089 N/A VAL 242.A N ALA 238.A O no hydrogen 2.996 N/A VAL 243.A N VAL 239.A O no hydrogen 2.959 N/A GLU 244.A N LYS 240.A O no hydrogen 3.123 N/A ALA 245.A N ILE 241.A O no hydrogen 2.784 N/A ALA 246.A N VAL 242.A O no hydrogen 2.789 N/A ARG 247.A N VAL 243.A O no hydrogen 3.016 N/A ARG 248.A N GLU 244.A O no hydrogen 3.420 N/A ARG 248.A NE GLU 244.A OE1 no hydrogen 3.021 N/A ARG 248.A NH2 GLU 244.A OE1 no hydrogen 3.378 N/A LEU 249.A N ALA 245.A O no hydrogen 3.186 N/A LEU 249.A N ALA 246.A O no hydrogen 2.971 N/A