Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qut_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 GLU 106.A O no hydrogen 2.892 N/A ARG 3.A NH2 GLU 106.A O no hydrogen 3.211 N/A LYS 5.A N HIS 1.A O no hydrogen 3.198 N/A LYS 5.A NZ ASP 166.A OD2 no hydrogen 3.271 N/A LEU 6.A N MET 2.A O no hydrogen 2.883 N/A LYS 7.A N GLU 167.A O no hydrogen 2.742 N/A LYS 7.A NZ GLU 167.A OE2 no hydrogen 3.145 N/A ALA 8.A N GLU 167.A O no hydrogen 3.110 N/A VAL 9.A N THR 109.A O no hydrogen 2.991 N/A LEU 10.A N VAL 169.A O no hydrogen 2.763 N/A PHE 11.A N MET 111.A O no hydrogen 2.797 N/A ASP 12.A N ILE 171.A O no hydrogen 3.031 N/A GLY 15.A N PHE 18.A O no hydrogen 2.888 N/A VAL 16.A N MET 13.A O no hydrogen 3.168 N/A LEU 17.A N MET 13.A O no hydrogen 2.855 N/A PHE 18.A N MET 13.A O no hydrogen 3.130 N/A ASN 19.A N GLU 91.A O no hydrogen 2.787 N/A ASN 19.A ND2 GLU 91.A OE1 no hydrogen 2.908 N/A SER 20.A OG ASN 14.A OD1 no hydrogen 2.699 N/A TYR 23.A N SER 20.A O no hydrogen 3.048 N/A HIS 24.A N SER 20.A O no hydrogen 3.021 N/A SER 25.A N MET 21.A O no hydrogen 2.809 N/A SER 25.A OG ARG 41.A O no hydrogen 2.779 N/A GLU 26.A N PRO 22.A O no hydrogen 2.948 N/A ALA 27.A N TYR 23.A O no hydrogen 2.969 N/A TRP 28.A N HIS 24.A O no hydrogen 2.993 N/A HIS 29.A N SER 25.A O no hydrogen 2.863 N/A HIS 29.A ND1 LEU 39.A O no hydrogen 2.847 N/A GLN 30.A N GLU 26.A O no hydrogen 2.819 N/A VAL 31.A N ALA 27.A O no hydrogen 2.903 N/A MET 32.A N TRP 28.A O no hydrogen 3.177 N/A LYS 33.A N HIS 29.A O no hydrogen 3.026 N/A THR 34.A N GLN 30.A O no hydrogen 2.973 N/A THR 34.A OG1 VAL 31.A O no hydrogen 2.885 N/A THR 34.A OG1 GLU 79.A OE2.A no hydrogen 3.550 N/A HIS 35.A N VAL 31.A O no hydrogen 3.261 N/A HIS 35.A NE2 GLU 79.A OE1.A no hydrogen 2.566 N/A HIS 35.A NE2 GLU 79.A OE1.B no hydrogen 2.580 N/A GLY 36.A N LYS 33.A O no hydrogen 2.853 N/A LEU 37.A N MET 32.A O no hydrogen 2.847 N/A ASP 38.A N GLU 63.A OE2 no hydrogen 2.746 N/A ARG 41.A NE GLU 26.A OE1 no hydrogen 2.714 N/A ARG 41.A NE GLU 26.A OE2 no hydrogen 3.400 N/A ARG 41.A NH2 GLU 26.A OE2 no hydrogen 2.867 N/A GLU 43.A N SER 40.A OG no hydrogen 2.881 N/A ALA 44.A N SER 40.A O no hydrogen 3.025 N/A MET 46.A N GLU 42.A O no hydrogen 3.268 N/A HIS 47.A N GLU 43.A O no hydrogen 3.196 N/A HIS 47.A NE2 GLU 43.A OE2 no hydrogen 2.782 N/A GLU 48.A N TYR 45.A O no hydrogen 3.208 N/A ARG 50.A N HIS 47.A O no hydrogen 2.908 N/A ARG 50.A NE HIS 47.A ND1 no hydrogen 2.965 N/A SER 54.A N THR 51.A OG1 no hydrogen 2.980 N/A THR 55.A N THR 51.A O no hydrogen 3.033 N/A THR 55.A OG1 THR 51.A O no hydrogen 2.958 N/A ILE 56.A N GLY 52.A O no hydrogen 2.908 N/A ASN 57.A N ALA 53.A O no hydrogen 2.943 N/A ILE 58.A N SER 54.A O no hydrogen 2.990 N/A VAL 59.A N THR 55.A O no hydrogen 3.359 N/A PHE 60.A N ILE 56.A O no hydrogen 2.827 N/A GLN 61.A N ASN 57.A O no hydrogen 2.794 N/A ARG 62.A N ILE 58.A O no hydrogen 3.317 N/A ARG 62.A NH1 GLU 43.A OE2 no hydrogen 2.813 N/A ARG 62.A NH2 ASP 38.A O no hydrogen 2.946 N/A ARG 62.A NH2 GLU 43.A OE1 no hydrogen 2.681 N/A ARG 62.A NH2 GLU 43.A OE2 no hydrogen 3.501 N/A GLU 63.A N VAL 59.A O no hydrogen 2.984 N/A LEU 64.A N PHE 60.A O no hydrogen 2.806 N/A GLY 65.A N GLN 61.A O no hydrogen 3.200 N/A ALA 68.A N ASN 57.A OD1 no hydrogen 2.870 N/A THR 69.A N GLU 72.A OE1 no hydrogen 2.808 N/A THR 69.A OG1 GLU 71.A OE2 no hydrogen 3.250 N/A GLU 72.A N THR 69.A OG1 no hydrogen 2.944 N/A ILE 73.A N THR 69.A O no hydrogen 2.933 N/A GLU 74.A N GLN 70.A O no hydrogen 2.982 N/A SER 75.A N GLU 71.A O no hydrogen 3.156 N/A SER 75.A OG GLU 71.A O no hydrogen 3.134 N/A SER 75.A OG GLU 72.A O no hydrogen 3.185 N/A ILE 76.A N GLU 72.A O no hydrogen 2.942 N/A TYR 77.A N ILE 73.A O no hydrogen 2.981 N/A HIS 78.A N GLU 74.A O no hydrogen 3.051 N/A GLU 79.A N SER 75.A O no hydrogen 2.967 N/A LYS 80.A N ILE 76.A O no hydrogen 2.811 N/A LYS 80.A NZ HIS 24.A ND1 no hydrogen 2.875 N/A SER 81.A N TYR 77.A O no hydrogen 3.012 N/A SER 81.A OG.B TYR 77.A O no hydrogen 2.937 N/A ILE 82.A N HIS 78.A O no hydrogen 2.923 N/A LEU 83.A N GLU 79.A O no hydrogen 3.045 N/A PHE 84.A N LYS 80.A O no hydrogen 2.843 N/A ASN 85.A N SER 81.A O no hydrogen 2.927 N/A SER 86.A N ILE 82.A O no hydrogen 3.061 N/A SER 86.A N LEU 83.A O no hydrogen 3.006 N/A SER 86.A OG LEU 83.A O no hydrogen 2.691 N/A TYR 87.A N PHE 84.A O no hydrogen 3.238 N/A GLU 91.A N GLU 91.A OE2 no hydrogen 2.710 N/A MET 93.A N LEU 17.A O no hydrogen 2.875 N/A ALA 96.A N MET 93.A O no hydrogen 2.969 N/A TRP 97.A NE1 GLN 101.A OE1 no hydrogen 2.919 N/A GLU 98.A N GLU 98.A OE2 no hydrogen 2.774 N/A LEU 99.A N GLY 95.A O no hydrogen 2.935 N/A LEU 100.A N ALA 96.A O no hydrogen 2.970 N/A GLN 101.A N TRP 97.A O no hydrogen 2.828 N/A LYS 102.A N GLU 98.A O no hydrogen 2.935 N/A LYS 102.A NZ ASP 221.A OD1 no hydrogen 3.136 N/A LYS 102.A NZ ASP 221.A OD2 no hydrogen 3.456 N/A VAL 103.A N LEU 99.A O no hydrogen 2.875 N/A LYS 104.A N LEU 100.A O no hydrogen 2.931 N/A SER 105.A N GLN 101.A O no hydrogen 2.918 N/A SER 105.A OG GLN 101.A O no hydrogen 3.564 N/A SER 105.A OG LYS 102.A O no hydrogen 2.701 N/A GLU 106.A N LYS 102.A O no hydrogen 3.180 N/A GLU 106.A N VAL 103.A O no hydrogen 3.131 N/A GLY 107.A N LYS 104.A O no hydrogen 2.928 N/A LEU 108.A N VAL 103.A O no hydrogen 3.067 N/A THR 109.A N LYS 7.A O no hydrogen 2.863 N/A THR 109.A OG1 LYS 7.A O no hydrogen 3.517 N/A MET 111.A N VAL 9.A O no hydrogen 2.888 N/A VAL 113.A N PHE 11.A O no hydrogen 2.887 N/A THR 114.A N VAL 139.A O no hydrogen 2.864 N/A SER 116.A N THR 114.A OG1 no hydrogen 2.979 N/A SER 116.A OG.B THR 114.A OG1 no hydrogen 3.364 N/A GLN 118.A N SER 116.A OG.A no hydrogen 3.332 N/A LEU 121.A N GLN 118.A O no hydrogen 3.105 N/A LEU 122.A N GLN 118.A O no hydrogen 3.191 N/A GLU 123.A N LEU 119.A O no hydrogen 3.335 N/A ARG 124.A N LEU 121.A O no hydrogen 3.134 N/A ARG 124.A NH1.B ALA 90.A O no hydrogen 2.774 N/A ARG 124.A NH2.B ALA 90.A O no hydrogen 2.774 N/A LEU 125.A N LEU 122.A O no hydrogen 3.197 N/A ASN 128.A N ARG 124.A O no hydrogen 2.904 N/A ASN 128.A ND2 ARG 124.A O no hydrogen 2.825 N/A PHE 129.A N LEU 125.A O no hydrogen 2.994 N/A MET 132.A N PHE 129.A O no hydrogen 3.036 N/A GLU 136.A N GLU 136.A OE2 no hydrogen 2.795 N/A LEU 137.A N HIS 134.A O no hydrogen 2.817 N/A VAL 139.A N VAL 112.A O no hydrogen 2.855 N/A THR 140.A N ASP 143.A OD2 no hydrogen 2.898 N/A ALA 141.A N SER 116.A O no hydrogen 2.964 N/A PHE 142.A N THR 140.A OG1 no hydrogen 3.168 N/A ASP 143.A N THR 140.A O no hydrogen 3.016 N/A LYS 145.A N GLU 152.A OE2 no hydrogen 2.949 N/A LYS 145.A NZ TYR 146.A OH no hydrogen 2.793 N/A TYR 146.A N GLU 152.A OE1 no hydrogen 2.788 N/A LYS 148.A NZ VAL 113.A O no hydrogen 2.899 N/A LYS 148.A NZ TYR 154.A OH no hydrogen 3.521 N/A LYS 148.A NZ GLU 172.A OE2 no hydrogen 2.772 N/A ASN 150.A N GLY 147.A O no hydrogen 2.959 N/A GLU 152.A N ASN 150.A OD1 no hydrogen 2.911 N/A TYR 154.A OH GLU 172.A OE2 no hydrogen 2.608 N/A LEU 155.A N PRO 151.A O no hydrogen 2.953 N/A MET 156.A N GLU 152.A O no hydrogen 2.760 N/A ALA 157.A N PRO 153.A O no hydrogen 3.018 N/A LEU 158.A N TYR 154.A O no hydrogen 3.051 N/A LYS 159.A N LEU 155.A O no hydrogen 3.081 N/A LYS 160.A N MET 156.A O no hydrogen 2.881 N/A LYS 160.A NZ MET 138.A O no hydrogen 2.794 N/A LYS 160.A NZ ASP 143.A OD2 no hydrogen 3.381 N/A GLY 161.A N ALA 157.A O no hydrogen 2.971 N/A GLY 162.A N LYS 159.A O no hydrogen 3.084 N/A LEU 163.A N LEU 158.A O no hydrogen 2.823 N/A LYS 164.A N GLU 167.A OE1 no hydrogen 2.910 N/A GLU 167.A N LYS 164.A O no hydrogen 2.922 N/A ALA 168.A N ALA 165.A O no hydrogen 3.245 N/A VAL 169.A N ALA 8.A O no hydrogen 3.223 N/A VAL 170.A N PHE 187.A O no hydrogen 2.919 N/A ILE 171.A N LEU 10.A O no hydrogen 2.881 N/A GLU 172.A N ILE 189.A O no hydrogen 3.008 N/A ASN 173.A N GLU 172.A OE1 no hydrogen 3.250 N/A ASN 173.A ND2 GLU 48.A OE1 no hydrogen 2.844 N/A ASN 173.A ND2 GLU 48.A OE2 no hydrogen 3.480 N/A VAL 178.A N ALA 174.A O no hydrogen 2.836 N/A GLU 179.A N PRO 175.A O no hydrogen 3.011 N/A ALA 180.A N LEU 176.A O no hydrogen 3.154 N/A GLY 181.A N GLY 177.A O no hydrogen 3.048 N/A HIS 182.A N VAL 178.A O no hydrogen 2.911 N/A LYS 183.A N GLU 179.A O no hydrogen 2.842 N/A LYS 183.A NZ.B GLU 179.A OE2 no hydrogen 2.690 N/A ALA 184.A N ALA 180.A O no hydrogen 3.013 N/A ALA 184.A N GLY 181.A O no hydrogen 3.216 N/A GLY 185.A N HIS 182.A O no hydrogen 2.879 N/A ILE 186.A N GLY 181.A O no hydrogen 3.216 N/A THR 188.A N ASP 207.A OD2 no hydrogen 2.822 N/A THR 188.A OG1 ILE 186.A O no hydrogen 2.859 N/A ILE 189.A N VAL 170.A O no hydrogen 2.773 N/A ALA 190.A N LEU 208.A O no hydrogen 2.861 N/A VAL 191.A N GLU 172.A O no hydrogen 2.821 N/A ASN 192.A N PHE 210.A O no hydrogen 2.825 N/A ASN 192.A ND2 LEU 196.A O no hydrogen 2.937 N/A THR 193.A N VAL 191.A O no hydrogen 2.914 N/A THR 193.A OG1 GLY 15.A O no hydrogen 2.721 N/A GLN 199.A N ASP 197.A OD1 no hydrogen 2.895 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 2.849 N/A VAL 200.A N ASP 197.A O no hydrogen 2.984 N/A LEU 201.A N GLY 198.A O no hydrogen 2.973 N/A LEU 202.A N GLY 198.A O no hydrogen 3.152 N/A ASP 203.A N GLN 199.A O no hydrogen 2.772 N/A ALA 204.A N VAL 200.A O no hydrogen 3.098 N/A ALA 204.A N LEU 201.A O no hydrogen 3.228 N/A GLY 205.A N LEU 202.A O no hydrogen 2.997 N/A ALA 206.A N LEU 201.A O no hydrogen 3.259 N/A ASP 207.A N THR 188.A O no hydrogen 2.749 N/A PHE 210.A N ALA 190.A O no hydrogen 2.866 N/A SER 212.A OG THR 215.A OG1 no hydrogen 2.879 N/A GLN 214.A NE2 ASP 218.A OD1 no hydrogen 3.049 N/A THR 215.A N SER 212.A OG no hydrogen 3.100 N/A THR 215.A OG1 SER 212.A OG no hydrogen 2.879 N/A LEU 216.A N SER 212.A O no hydrogen 3.049 N/A CYS 217.A N MET 213.A O no hydrogen 2.921 N/A ASP 218.A N GLN 214.A O no hydrogen 2.876 N/A SER 219.A N THR 215.A O no hydrogen 2.981 N/A SER 219.A N LEU 216.A O no hydrogen 3.100 N/A SER 219.A OG THR 215.A O no hydrogen 3.203 N/A TRP 220.A N CYS 217.A O no hydrogen 3.285 N/A TRP 220.A NE1 GLU 106.A OE1 no hydrogen 2.778 N/A THR 222.A N SER 219.A O no hydrogen 2.990 N/A THR 222.A OG1 SER 219.A O no hydrogen 2.784 N/A ILE 223.A N SER 219.A O no hydrogen 3.310 N/A ILE 223.A N TRP 220.A O no hydrogen 3.163 N/A MET 224.A N TRP 220.A O no hydrogen 3.327 N/A