Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u53_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 7.A ND2 GLU 57.A OE1 no hydrogen 2.823 N/A MET 9.A N ASN 7.A OD1 no hydrogen 3.035 N/A ALA 13.A N SER 10.A OG no hydrogen 3.094 N/A ARG 14.A N SER 10.A O no hydrogen 2.991 N/A ARG 14.A NE GLU 57.A OE1 no hydrogen 3.465 N/A ARG 14.A NE GLU 57.A OE2 no hydrogen 2.732 N/A ARG 14.A NH1 GLU 11.A OE1 no hydrogen 3.019 N/A ARG 14.A NH2 PRO 5.A O no hydrogen 3.024 N/A ARG 14.A NH2 GLU 57.A OE1 no hydrogen 2.877 N/A GLN 15.A N GLU 11.A O no hydrogen 2.865 N/A LYS 16.A N GLU 12.A O no hydrogen 2.888 N/A PHE 17.A N ALA 13.A O no hydrogen 2.917 N/A LEU 18.A N ARG 14.A O no hydrogen 3.067 N/A GLU 19.A N GLN 15.A O no hydrogen 2.844 N/A MET 20.A N LYS 16.A O no hydrogen 2.943 N/A HIS 21.A N PHE 17.A O no hydrogen 2.950 N/A HIS 21.A ND1 PHE 17.A O no hydrogen 2.892 N/A HIS 21.A NE2 TYR 160.A OH no hydrogen 2.807 N/A ASN 22.A N LEU 18.A O no hydrogen 2.929 N/A ASN 22.A ND2 MET 50.A O no hydrogen 3.073 N/A SER 23.A N GLU 19.A O no hydrogen 2.752 N/A LEU 24.A N MET 20.A O no hydrogen 3.034 N/A ARG 25.A N HIS 21.A O no hydrogen 2.883 N/A ARG 25.A NE LYS 48.A O no hydrogen 2.948 N/A ARG 25.A NH1 MET 135.A O no hydrogen 2.885 N/A ARG 25.A NH1 TRP 137.A O no hydrogen 2.843 N/A ARG 25.A NH2 LYS 48.A O no hydrogen 2.759 N/A ARG 25.A NH2 TRP 137.A O no hydrogen 3.080 N/A ARG 25.A NH2 GLN 138.A O no hydrogen 3.227 N/A SER 26.A N ASN 22.A O no hydrogen 2.878 N/A SER 26.A OG LYS 188.A O no hydrogen 2.614 N/A SER 27.A N SER 23.A O no hydrogen 2.881 N/A SER 27.A OG LEU 24.A O no hydrogen 2.816 N/A VAL 28.A N LEU 24.A O no hydrogen 2.982 N/A ALA 29.A N ARG 25.A O no hydrogen 2.905 N/A LEU 30.A N SER 26.A O no hydrogen 2.930 N/A GLY 31.A N VAL 28.A O no hydrogen 2.990 N/A GLN 32.A N SER 27.A O no hydrogen 2.908 N/A LYS 34.A NZ ASP 35.A O no hydrogen 2.916 N/A LYS 34.A NZ GLY 39.A O no hydrogen 2.927 N/A ASP 35.A N GLY 39.A O no hydrogen 2.931 N/A GLY 36.A N LEU 109.A O no hydrogen 2.919 N/A ALA 37.A N ASP 35.A OD1 no hydrogen 2.879 N/A GLY 38.A N ASP 35.A O no hydrogen 2.943 N/A ASN 40.A ND2 GLY 31.A O no hydrogen 2.845 N/A ALA 41.A N ALA 33.A O no hydrogen 2.766 N/A ALA 44.A N ALA 29.A O no hydrogen 3.117 N/A ALA 45.A N GLU 173.A O no hydrogen 2.926 N/A LYS 48.A NZ GLU 139.A OE1 no hydrogen 2.923 N/A LYS 48.A NZ GLU 139.A OE2 no hydrogen 3.499 N/A THR 49.A N CYS 191.A O no hydrogen 2.796 N/A THR 49.A OG1 CYS 191.A O no hydrogen 3.417 N/A MET 50.A N ASN 22.A OD1 no hydrogen 2.886 N/A ALA 51.A N VAL 141.A O no hydrogen 2.933 N/A TYR 52.A OH GLU 57.A OE2 no hydrogen 2.546 N/A ASP 53.A N LEU 143.A O no hydrogen 2.853 N/A GLU 55.A N ASP 53.A OD1 no hydrogen 2.820 N/A VAL 56.A N ASP 53.A OD1 no hydrogen 3.225 N/A GLU 57.A N ASP 53.A O no hydrogen 3.018 N/A LYS 58.A N CYS 54.A O no hydrogen 3.040 N/A THR 59.A N GLU 55.A O no hydrogen 3.234 N/A THR 59.A OG1 GLU 55.A O no hydrogen 3.510 N/A THR 59.A OG1 VAL 56.A O no hydrogen 3.202 N/A THR 59.A OG1 GLN 159.A OE1 no hydrogen 2.777 N/A ALA 60.A N VAL 56.A O no hydrogen 2.984 N/A MET 61.A N GLU 57.A O no hydrogen 2.733 N/A ASN 62.A N LYS 58.A O no hydrogen 2.995 N/A ASN 63.A N THR 59.A O no hydrogen 3.338 N/A ASN 63.A ND2 LYS 70.A O no hydrogen 3.110 N/A ASN 63.A ND2 GLU 82.A OE2 no hydrogen 2.959 N/A ALA 64.A N ALA 60.A O no hydrogen 2.865 N/A LYS 65.A N MET 61.A O no hydrogen 2.795 N/A LYS 65.A NZ TYR 146.A OH no hydrogen 3.077 N/A LYS 65.A NZ GLU 148.A OE1 no hydrogen 2.869 N/A LYS 65.A NZ GLU 148.A OE2 no hydrogen 3.360 N/A GLN 66.A N ASN 63.A O no hydrogen 2.992 N/A GLN 66.A NE2 ASN 62.A O no hydrogen 2.986 N/A CYS 67.A N ALA 64.A O no hydrogen 3.056 N/A CYS 67.A SG ALA 64.A O no hydrogen 3.940 N/A CYS 67.A SG LYS 65.A O no hydrogen 3.938 N/A LYS 70.A N TYR 155.A OH no hydrogen 3.215 N/A SER 72.A N GLU 82.A OE1 no hydrogen 2.870 N/A SER 72.A OG GLU 82.A OE1 no hydrogen 3.368 N/A SER 72.A OG GLU 82.A OE2 no hydrogen 2.615 N/A GLN 76.A N GLN 73.A O no hydrogen 2.832 N/A ARG 77.A N PRO 74.A O no hydrogen 3.010 N/A ARG 77.A NE SER 72.A O no hydrogen 3.219 N/A ARG 77.A NE SER 72.A OG no hydrogen 2.820 N/A ARG 77.A NH1 LEU 80.A O no hydrogen 3.085 N/A ARG 77.A NH2 SER 72.A O no hydrogen 2.909 N/A LEU 80.A N ARG 77.A O no hydrogen 2.918 N/A GLY 81.A N TYR 160.A O no hydrogen 2.694 N/A ASN 83.A N CYS 158.A O no hydrogen 2.964 N/A ASN 83.A ND2 HIS 131.A O no hydrogen 3.147 N/A ASN 83.A ND2 TYR 160.A OH no hydrogen 3.035 N/A PHE 85.A N VAL 156.A O no hydrogen 2.888 N/A SER 87.A N CYS 154.A O no hydrogen 3.011 N/A ASP 89.A N SER 87.A OG no hydrogen 3.056 N/A SER 90.A OG CYS 150.A O no hydrogen 3.163 N/A SER 90.A OG SER 151.A O no hydrogen 3.353 N/A MET 92.A N ASP 89.A O no hydrogen 3.053 N/A LYS 94.A NZ GLY 8.A O no hydrogen 3.105 N/A LYS 96.A N ASP 93.A OD2 no hydrogen 2.911 N/A ALA 97.A N ASP 93.A O no hydrogen 2.947 N/A ALA 98.A N LYS 94.A O no hydrogen 2.973 N/A GLU 99.A N ALA 95.A O no hydrogen 3.078 N/A GLN 100.A N LYS 96.A O no hydrogen 2.905 N/A ALA 101.A N ALA 97.A O no hydrogen 2.887 N/A SER 102.A N ALA 98.A O no hydrogen 3.047 N/A SER 102.A OG ALA 98.A O no hydrogen 2.808 N/A LYS 103.A N GLU 99.A O no hydrogen 2.963 N/A ALA 104.A N GLN 100.A O no hydrogen 2.947 N/A TRP 105.A N ALA 101.A O no hydrogen 2.961 N/A TRP 105.A NE1 ILE 84.A O no hydrogen 2.921 N/A PHE 106.A N SER 102.A O no hydrogen 2.985 N/A GLY 107.A N LYS 103.A O no hydrogen 2.847 N/A GLU 108.A N TRP 105.A O no hydrogen 3.369 N/A LEU 109.A N PHE 106.A O no hydrogen 3.185 N/A GLU 111.A N GLY 107.A O no hydrogen 2.954 N/A LYS 112.A N GLU 108.A O no hydrogen 2.919 N/A LYS 112.A NZ GLU 111.A OE2 no hydrogen 3.210 N/A GLY 113.A N GLU 108.A O no hydrogen 3.378 N/A GLY 113.A N LEU 109.A O no hydrogen 3.033 N/A VAL 114.A N ASP 35.A OD1 no hydrogen 2.875 N/A GLY 115.A N ASP 35.A OD2 no hydrogen 2.857 N/A GLN 116.A NE2 ASN 40.A O no hydrogen 3.335 N/A LYS 119.A N ASN 117.A OD1 no hydrogen 2.985 N/A LEU 120.A N LYS 169.A O no hydrogen 2.877 N/A THR 121.A N LYS 119.A O no hydrogen 2.800 N/A LEU 124.A N THR 121.A OG1 no hydrogen 2.767 N/A PHE 125.A N THR 121.A O no hydrogen 2.959 N/A SER 126.A N GLY 122.A O no hydrogen 2.933 N/A SER 126.A OG GLY 122.A O no hydrogen 3.301 N/A SER 126.A OG GLY 123.A O no hydrogen 2.726 N/A ARG 127.A N LEU 124.A O no hydrogen 2.865 N/A GLY 128.A N PHE 125.A O no hydrogen 2.753 N/A HIS 131.A N GLU 108.A OE1 no hydrogen 2.903 N/A HIS 131.A ND1 GLU 108.A OE2 no hydrogen 2.577 N/A TYR 132.A N GLU 108.A OE1 no hydrogen 3.031 N/A THR 133.A N VAL 129.A O no hydrogen 2.997 N/A THR 133.A OG1 VAL 129.A O no hydrogen 3.425 N/A THR 133.A OG1 GLY 130.A O no hydrogen 3.279 N/A THR 133.A OG1 ASN 165.A OD1 no hydrogen 2.709 N/A GLN 134.A N GLY 130.A O no hydrogen 3.366 N/A MET 135.A N HIS 131.A O no hydrogen 3.168 N/A VAL 136.A N TYR 132.A O no hydrogen 3.097 N/A TRP 137.A N GLN 134.A O no hydrogen 3.355 N/A GLN 138.A N ILE 171.A O no hydrogen 2.944 N/A GLN 138.A NE2 GLU 139.A OE2 no hydrogen 2.781 N/A THR 140.A N TRP 137.A O no hydrogen 3.094 N/A THR 140.A OG1 GLN 134.A OE1 no hydrogen 3.049 N/A THR 140.A OG1 PRO 162.A O no hydrogen 2.735 N/A VAL 141.A N GLY 161.A O no hydrogen 2.876 N/A LYS 142.A N GLY 161.A O no hydrogen 2.881 N/A LYS 142.A NZ ASP 53.A OD2 no hydrogen 2.862 N/A LEU 143.A N ALA 51.A O no hydrogen 3.007 N/A GLY 144.A N GLN 159.A O no hydrogen 3.115 N/A CYS 145.A N TYR 52.A OH no hydrogen 2.896 N/A TYR 146.A N VAL 157.A O no hydrogen 2.836 N/A TYR 146.A OH ASN 7.A O no hydrogen 2.698 N/A GLU 148.A N TYR 155.A O no hydrogen 2.833 N/A CYS 150.A N MET 153.A O no hydrogen 2.860 N/A CYS 150.A SG GLU 148.A O no hydrogen 4.014 N/A CYS 154.A N SER 87.A O no hydrogen 2.789 N/A TYR 155.A N GLU 148.A O no hydrogen 2.861 N/A TYR 155.A OH ASN 63.A OD1 no hydrogen 2.724 N/A VAL 156.A N PHE 85.A O no hydrogen 2.863 N/A VAL 157.A N TYR 146.A O no hydrogen 2.956 N/A CYS 158.A N ASN 83.A O no hydrogen 3.015 N/A GLN 159.A N GLY 144.A O no hydrogen 2.782 N/A GLN 159.A NE2 THR 59.A O no hydrogen 3.478 N/A GLN 159.A NE2 GLU 82.A OE2 no hydrogen 2.802 N/A TYR 160.A N GLY 81.A O no hydrogen 3.058 N/A TYR 160.A OH HIS 21.A NE2 no hydrogen 2.807 N/A GLY 161.A N LYS 142.A O no hydrogen 2.932 N/A ALA 163.A N GLY 79.A O no hydrogen 3.206 N/A ASN 165.A ND2 GLY 130.A O no hydrogen 2.943 N/A GLY 168.A N LEU 120.A O no hydrogen 2.898 N/A LYS 169.A N MET 166.A O no hydrogen 3.099 N/A ILE 171.A N LEU 118.A O no hydrogen 2.949 N/A TYR 172.A OH PRO 42.A O no hydrogen 2.663 N/A GLU 173.A N GLN 138.A OE1 no hydrogen 2.935 N/A LYS 174.A NZ GLN 116.A O no hydrogen 2.831 N/A GLY 175.A N LYS 43.A O no hydrogen 3.047 N/A CYS 178.A SG ASP 185.A O no hydrogen 4.012 N/A CYS 178.A SG LEU 190.A O no hydrogen 3.830 N/A SER 179.A N GLU 176.A O no hydrogen 2.993 N/A SER 179.A OG GLU 176.A O no hydrogen 2.495 N/A LYS 180.A N ALA 45.A O no hydrogen 3.011 N/A LYS 180.A NZ GLU 173.A OE1 no hydrogen 3.364 N/A LYS 180.A NZ GLU 173.A OE2 no hydrogen 2.552 N/A CYS 181.A N CYS 178.A O no hydrogen 2.985 N/A CYS 181.A SG ALA 193.A O no hydrogen 2.706 N/A ASP 185.A N LEU 190.A O no hydrogen 2.671 N/A LYS 188.A N ASP 185.A O no hydrogen 3.202 N/A LYS 188.A NZ ASP 185.A OD1 no hydrogen 3.190 N/A LYS 188.A NZ ASP 185.A OD2 no hydrogen 2.903 N/A GLY 189.A N ASP 185.A O no hydrogen 2.840 N/A LEU 190.A N ASP 185.A O no hydrogen 3.314 N/A CYS 191.A N MET 47.A O no hydrogen 2.742 N/A CYS 191.A SG ASN 183.A O no hydrogen 3.914 N/A CYS 191.A SG ALA 193.A O no hydrogen 1.590 N/A SER 192.A N ASN 183.A O no hydrogen 2.902 N/A SER 192.A OG ASN 183.A O no hydrogen 3.216 N/A