Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rup_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N THR 25.A O no hydrogen 2.881 N/A GLN 5.A N THR 23.A O no hydrogen 3.055 N/A GLN 6.A N GLN 6.A OE1 no hydrogen 2.822 N/A SER 7.A N THR 21.A O no hydrogen 2.762 N/A VAL 12.A N THR 116.A O no hydrogen 2.953 N/A LYS 13.A NZ ALA 119.A O no hydrogen 3.332 N/A SER 15.A N VAL 86C.A O no hydrogen 2.863 N/A SER 15.A OG.A PRO 14.A O no hydrogen 2.755 N/A GLN 16.A N LYS 13.A O no hydrogen 3.038 N/A LEU 18.A N LEU 83.A O no hydrogen 2.924 N/A LEU 20.A N LEU 81.A O no hydrogen 2.843 N/A THR 21.A N SER 7.A O no hydrogen 2.827 N/A CYS 22.A N PHE 79.A O no hydrogen 2.740 N/A THR 23.A N GLN 5.A O no hydrogen 2.929 N/A VAL 24.A N ASN 77.A O no hydrogen 3.205 N/A THR 25.A N GLN 3.A O no hydrogen 2.854 N/A THR 25.A OG1 GLN 3.A O no hydrogen 3.562 N/A TYR 27.A OH ASP 32.A OD2 no hydrogen 2.501 N/A SER 28.A OG THR 30.A OG1 no hydrogen 2.722 N/A ILE 29.A N ASN 77.A OD1 no hydrogen 2.955 N/A THR 30.A N SER 28.A OG no hydrogen 3.137 N/A THR 30.A OG1 SER 28.A OG no hydrogen 2.722 N/A SER 31.A N SER 28.A O no hydrogen 3.160 N/A PHE 33.A N SER 31.A O no hydrogen 2.772 N/A ALA 34.A N LEU 99.A O no hydrogen 2.809 N/A TRP 35.A N ILE 52.A O no hydrogen 2.866 N/A TRP 35.A NE1 ILE 29.A O no hydrogen 2.939 N/A TRP 37.A N GLY 50.A O no hydrogen 2.947 N/A ILE 38.A N TYR 95.A O no hydrogen 2.882 N/A ARG 39.A N GLU 47.A O no hydrogen 2.912 N/A ARG 39.A NE GLU 47.A OE1 no hydrogen 2.793 N/A ARG 39.A NH1 ASP 90.A OD1 no hydrogen 2.815 N/A ARG 39.A NH1 TYR 94.A OH no hydrogen 2.959 N/A ARG 39.A NH2 GLU 47.A OE1 no hydrogen 2.905 N/A GLN 40.A N THR 93.A O no hydrogen 2.771 N/A PHE 41.A N LYS 45.A O no hydrogen 2.876 N/A LYS 45.A N PHE 41.A O no hydrogen 3.252 N/A GLU 47.A N ARG 39.A O no hydrogen 2.849 N/A TRP 48.A NE1 ASN 36A.A OD1 no hydrogen 2.892 N/A MET 49.A N TRP 37.A O no hydrogen 2.754 N/A GLY 50.A N TRP 37.A O no hydrogen 3.373 N/A TYR 51.A N SER 59.A O no hydrogen 2.864 N/A ILE 52.A N TRP 35.A O no hydrogen 2.859 N/A ASN 53.A N PHE 57.A O no hydrogen 2.744 N/A SER 55.A N ASN 53.A OD1 no hydrogen 2.880 N/A SER 55.A OG.A ASN 53.A OD1 no hydrogen 2.937 N/A SER 55.A OG.B ASN 53.A OD1 no hydrogen 2.987 N/A GLY 56.A N ASN 53.A O no hydrogen 2.883 N/A PHE 57.A N ASN 53.A OD1 no hydrogen 3.103 N/A SER 59.A N TYR 51.A O no hydrogen 3.095 N/A ASN 61.A N MET 49.A O no hydrogen 2.773 N/A ASN 61.A ND2 TRP 48.A O no hydrogen 2.916 N/A SER 63.A N ASN 61.A OD1 no hydrogen 2.967 N/A SER 63.A OG GLU 47.A OE2 no hydrogen 2.805 N/A LEU 64.A N ASN 61.A O no hydrogen 3.038 N/A LYS 65.A N PRO 62.A O no hydrogen 2.999 N/A SER 66.A OG LYS 65.A O no hydrogen 3.138 N/A ARG 67.A N LEU 64.A O no hydrogen 2.820 N/A ARG 67.A NH1 ASP 90.A OD2 no hydrogen 2.973 N/A ARG 67.A NH1 ASN 84A.A O no hydrogen 2.992 N/A ARG 67.A NH2 ASP 90.A OD1 no hydrogen 2.929 N/A ARG 67.A NH2 ASP 90.A OD2 no hydrogen 3.567 N/A SER 69.A N GLN 82.A O no hydrogen 2.872 N/A THR 71.A N PHE 80.A O no hydrogen 3.231 N/A ARG 72.A NH1 TYR 54.A O no hydrogen 2.990 N/A ASP 73.A N GLN 78.A O no hydrogen 2.908 N/A SER 75.A OG ASP 73.A OD1 no hydrogen 2.647 N/A LYS 76.A N ASP 73.A O no hydrogen 3.155 N/A LYS 76.A N ASP 73.A OD1 no hydrogen 3.234 N/A ASN 77.A N THR 74.A O no hydrogen 3.172 N/A ASN 77.A ND2 VAL 24.A O no hydrogen 2.831 N/A ASN 77.A ND2 TYR 27.A O no hydrogen 2.853 N/A GLN 78.A N ASP 73.A O no hydrogen 3.192 N/A GLN 78.A NE2 THR 23.A OG1 no hydrogen 2.961 N/A PHE 79.A N CYS 22.A O no hydrogen 3.059 N/A PHE 80.A N THR 71.A O no hydrogen 2.873 N/A LEU 81.A N LEU 20.A O no hydrogen 2.956 N/A GLN 82.A N SER 69.A O no hydrogen 2.893 N/A LEU 83.A N LEU 18.A O no hydrogen 2.952 N/A THR 87.A N ASP 90.A OD2 no hydrogen 2.952 N/A THR 88.A OG1 GLU 89.A OE1 no hydrogen 3.058 N/A GLU 89.A N THR 87.A OG1 no hydrogen 3.160 N/A ASP 90.A N THR 87.A O no hydrogen 2.830 N/A THR 91.A N THR 88.A O no hydrogen 3.150 N/A THR 91.A OG1 THR 88.A O no hydrogen 3.293 N/A ALA 92.A N VAL 115.A O no hydrogen 3.156 N/A THR 93.A N GLN 40.A O no hydrogen 2.935 N/A TYR 94.A N THR 113.A O no hydrogen 2.860 N/A TYR 94.A OH ASP 90.A O no hydrogen 2.646 N/A TYR 95.A N ILE 38.A O no hydrogen 2.756 N/A ALA 97.A N ASN 36A.A O no hydrogen 2.924 N/A GLY 98.A N SER 108.A O no hydrogen 2.903 N/A LEU 99.A N ALA 34.A O no hydrogen 3.020 N/A LEU 100.A N GLY 105A.A O no hydrogen 2.800 N/A TRP 101.A N ASP 32.A O no hydrogen 2.888 N/A GLY 104.A N LEU 100.A O no hydrogen 2.828 N/A SER 108.A N GLY 98.A O no hydrogen 2.966 N/A SER 108.A OG.A ALA 106B.A O no hydrogen 2.744 N/A SER 108.A OG.B VAL 2.A O no hydrogen 3.139 N/A GLY 110.A N CYS 96.A O no hydrogen 2.874 N/A GLN 111.A N GLN 111.A OE1 no hydrogen 2.825 N/A GLN 111.A NE2 GLN 6.A O no hydrogen 3.042 N/A GLY 112.A N GLN 6.A OE1 no hydrogen 2.825 N/A THR 113.A N TYR 94.A O no hydrogen 2.891 N/A VAL 115.A N ALA 92.A O no hydrogen 2.947 N/A THR 116.A N GLY 10.A O no hydrogen 2.865 N/A VAL 117.A N THR 91.A OG1 no hydrogen 2.936 N/A SER 118.A N VAL 12.A O no hydrogen 2.937 N/A ALA 120.A N SER 118.A OG no hydrogen 2.997 N/A LYS 121.A NZ THR 123.A OG1 no hydrogen 3.174 N/A THR 123.A N PHE 152.A O no hydrogen 2.819 N/A THR 123.A OG1 LYS 121.A O no hydrogen 3.046 N/A SER 126.A N LYS 149.A O no hydrogen 2.925 N/A TYR 128.A N LEU 147.A O no hydrogen 2.788 N/A LEU 130.A N GLY 145.A O no hydrogen 2.775 N/A ASP 136.A N VAL 133.A O no hydrogen 2.929 N/A THR 137.A N CYS 134.A O no hydrogen 3.156 N/A THR 137.A OG1 CYS 134.A O no hydrogen 2.707 N/A VAL 142.A N VAL 189.A O no hydrogen 2.792 N/A THR 143.A OG1 THR 188.A OG1 no hydrogen 2.839 N/A LEU 144.A N VAL 187.A O no hydrogen 2.844 N/A GLY 145.A N LEU 130.A O no hydrogen 2.992 N/A CYS 146.A N SER 185.A O no hydrogen 2.879 N/A CYS 146.A SG.B TYR 128.A O no hydrogen 3.979 N/A CYS 146.A SG.B GLY 145.A O no hydrogen 2.966 N/A LEU 147.A N TYR 128.A O no hydrogen 2.863 N/A VAL 148.A N LEU 183.A O no hydrogen 2.748 N/A LYS 149.A N SER 126.A O no hydrogen 2.844 N/A GLY 150.A N TYR 181.A O no hydrogen 2.868 N/A TYR 151.A N TYR 181.A O no hydrogen 3.281 N/A TYR 151.A OH GLU 154.A OE1 no hydrogen 2.907 N/A PHE 152.A N THR 123.A O no hydrogen 2.946 N/A THR 157.A N ALA 204.A O no hydrogen 2.886 N/A THR 159.A N ASN 202.A O no hydrogen 2.987 N/A THR 159.A OG1 ASN 202.A OD1 no hydrogen 2.977 N/A TRP 160.A NE1 SER 185.A OG no hydrogen 2.926 N/A ASN 161.A N THR 200.A O no hydrogen 2.862 N/A ASN 161.A ND2 SER 198.A O no hydrogen 3.014 N/A SER 162.A N ASN 202.A OD1 no hydrogen 2.771 N/A GLY 163.A N TRP 160.A O no hydrogen 2.947 N/A SER 164.A N ASN 161.A O no hydrogen 3.019 N/A SER 164.A OG ASN 161.A O no hydrogen 2.672 N/A LEU 165.A N TRP 160.A O no hydrogen 3.148 N/A HIS 170.A N SER 186.A O no hydrogen 2.858 N/A THR 171.A OG1 SER 185.A OG no hydrogen 2.784 N/A PHE 172.A N SER 184.A O no hydrogen 2.917 N/A VAL 175.A N THR 182.A O no hydrogen 2.908 N/A GLN 177.A N LEU 180.A O no hydrogen 2.834 N/A LEU 180.A N GLN 177.A O no hydrogen 3.157 N/A TYR 181.A N TYR 151.A O no hydrogen 2.790 N/A THR 182.A N VAL 175.A O no hydrogen 2.943 N/A LEU 183.A N VAL 148.A O no hydrogen 2.798 N/A SER 185.A N CYS 146.A O no hydrogen 3.002 N/A SER 185.A OG HIS 170.A O no hydrogen 3.354 N/A SER 185.A OG THR 171.A OG1 no hydrogen 2.784 N/A SER 186.A N HIS 170.A O no hydrogen 2.813 N/A VAL 187.A N LEU 144.A O no hydrogen 2.812 N/A THR 188.A N GLY 168.A O no hydrogen 2.942 N/A THR 188.A OG1 THR 143.A OG1 no hydrogen 2.839 N/A VAL 189.A N VAL 142.A O no hydrogen 2.953 N/A SER 191.A N SER 140.A O no hydrogen 2.713 N/A SER 191.A OG THR 137.A O no hydrogen 2.831 N/A THR 193.A N THR 190.A O no hydrogen 2.931 N/A THR 193.A OG1 THR 190.A O no hydrogen 2.547 N/A TRP 194.A N SER 191.A O no hydrogen 3.085 N/A GLN 197.A N THR 193.A O no hydrogen 2.796 N/A THR 200.A N ASN 161.A OD1 no hydrogen 2.979 N/A CYS 201.A N LYS 214.A O no hydrogen 2.833 N/A CYS 201.A SG.B LYS 214.A O no hydrogen 3.750 N/A ASN 202.A N THR 159.A O no hydrogen 2.752 N/A ASN 202.A ND2 ASP 213.A OD1 no hydrogen 2.840 N/A VAL 203.A N VAL 212.A O no hydrogen 2.779 N/A ALA 204.A N THR 157.A O no hydrogen 2.946 N/A HIS 205.A N THR 210.A O no hydrogen 2.884 N/A HIS 205.A ND1 SER 208.A OG no hydrogen 2.749 N/A HIS 205.A NE2 PRO 153.A O no hydrogen 2.865 N/A SER 208.A N HIS 205.A O no hydrogen 3.045 N/A SER 208.A OG HIS 205.A ND1 no hydrogen 2.749 N/A SER 208.A OG HIS 205.A O no hydrogen 3.413 N/A SER 208.A OG THR 210.A OG1 no hydrogen 3.089 N/A SER 209.A N PRO 206.A O no hydrogen 2.979 N/A THR 210.A N HIS 205.A O no hydrogen 3.322 N/A THR 210.A OG1 SER 208.A O no hydrogen 3.037 N/A THR 210.A OG1 SER 208.A OG no hydrogen 3.089 N/A VAL 212.A N VAL 203.A O no hydrogen 2.889 N/A LYS 214.A N CYS 201.A O no hydrogen 2.842 N/A ILE 216.A N ILE 199.A O no hydrogen 2.785 N/A ASN 36A.A N ALA 97.A O no hydrogen 2.751 N/A ASN 36A.A ND2 ALA 97.A O no hydrogen 3.064 N/A ASN 84A.A N ARG 67.A O no hydrogen 2.851 N/A GLY 105A.A N ASP 103.A OD1 no hydrogen 2.880 N/A VAL 86C.A N GLN 16.A O no hydrogen 2.984 N/A