Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qxt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N GLU 2.A O no hydrogen 3.296 N/A THR 6.A OG1 GLU 3.A O no hydrogen 3.237 N/A VAL 9.A N GLY 32.A O no hydrogen 2.997 N/A ILE 11.A N GLY 30.A O no hydrogen 2.715 N/A LEU 12.A N LEU 116.A O no hydrogen 2.989 N/A VAL 13.A N GLY 28.A O no hydrogen 2.786 N/A GLU 14.A N ASN 118.A O no hydrogen 2.895 N/A LEU 15.A N VAL 26.A O no hydrogen 2.857 N/A ASP 16.A N ILE 120.A O no hydrogen 2.990 N/A GLY 17.A N PHE 24.A O no hydrogen 2.824 N/A ASP 18.A N LEU 122.A O no hydrogen 2.974 N/A VAL 19.A N HIS 22.A O no hydrogen 3.029 N/A ASN 20.A N GLY 124.A O no hydrogen 3.324 N/A ASN 20.A ND2 PHE 127.A O no hydrogen 2.952 N/A HIS 22.A N VAL 19.A O no hydrogen 2.997 N/A PHE 24.A N GLY 17.A O no hydrogen 2.969 N/A SER 25.A N THR 47.A OG1 no hydrogen 3.238 N/A SER 25.A OG ASP 16.A OD2 no hydrogen 2.787 N/A VAL 26.A N LEU 15.A O no hydrogen 2.899 N/A SER 27.A N ILE 44.A O no hydrogen 2.857 N/A SER 27.A OG GLU 14.A OE2 no hydrogen 2.855 N/A GLY 28.A N VAL 13.A O no hydrogen 2.634 N/A GLU 29.A N LYS 42.A O no hydrogen 3.165 N/A GLY 30.A N ILE 11.A O no hydrogen 3.180 N/A GLU 31.A N THR 40.A O no hydrogen 3.028 N/A GLY 32.A N VAL 9.A O no hydrogen 2.909 N/A ASP 33.A N LYS 38.A O no hydrogen 2.786 N/A THR 35.A OG1 THR 6.A O no hydrogen 3.530 N/A TYR 36.A N ASP 33.A O no hydrogen 3.135 N/A GLY 37.A N ALA 34.A O no hydrogen 3.206 N/A LYS 38.A N ASP 33.A O no hydrogen 3.034 N/A LEU 39.A N GLU 219.A O no hydrogen 2.880 N/A THR 40.A N GLU 31.A O no hydrogen 3.084 N/A THR 40.A OG1 GLU 31.A O no hydrogen 3.417 N/A LEU 41.A N LEU 217.A O no hydrogen 2.843 N/A LYS 42.A N GLU 29.A O no hydrogen 2.884 N/A LYS 42.A NZ ASP 207.A OD2 no hydrogen 3.485 N/A LYS 42.A NZ GLU 210.A OE1 no hydrogen 2.895 N/A PHE 43.A N MET 215.A O no hydrogen 2.725 N/A ILE 44.A N SER 27.A O no hydrogen 2.774 N/A CYS 45.A N ASP 213.A O no hydrogen 2.918 N/A CYS 45.A SG SER 25.A O no hydrogen 3.631 N/A CYS 45.A SG THR 47.A OG1 no hydrogen 3.509 N/A CYS 45.A SG GLY 48.A O no hydrogen 3.084 N/A THR 46.A N SER 25.A O no hydrogen 3.075 N/A THR 46.A OG1 SER 25.A O no hydrogen 3.408 N/A LEU 50.A N ASP 213.A OD2 no hydrogen 2.868 N/A TRP 54.A NE1 ASP 213.A OD1 no hydrogen 3.009 N/A THR 56.A N PRO 53.A O no hydrogen 3.256 N/A THR 56.A OG1 PRO 53.A O no hydrogen 2.618 N/A THR 56.A OG1 TYR 103.A OH no hydrogen 2.931 N/A LEU 57.A N TRP 54.A O no hydrogen 3.096 N/A VAL 58.A N PRO 55.A O no hydrogen 3.349 N/A THR 59.A OG1 HIS 178.A ND1 no hydrogen 3.188 N/A LEU 61.A N LEU 57.A O no hydrogen 2.885 N/A THR 62.A N VAL 58.A O no hydrogen 2.919 N/A THR 62.A OG1 VAL 58.A O no hydrogen 2.523 N/A TYR 63.A N THR 59.A O no hydrogen 2.848 N/A VAL 65.A N THR 62.A O no hydrogen 3.063 N/A GLN 66.A NE2 GLN 180.A OE1 no hydrogen 3.240 N/A PHE 68.A N VAL 65.A O no hydrogen 3.133 N/A SER 69.A N GLN 66.A O no hydrogen 3.357 N/A SER 69.A OG GLN 66.A O no hydrogen 2.714 N/A ARG 70.A N VAL 221.A O no hydrogen 2.917 N/A TYR 71.A OH HIS 196.A NE2 no hydrogen 2.676 N/A HIS 74.A NE2 ILE 226.A O no hydrogen 2.818 N/A MET 75.A N PRO 72.A O no hydrogen 2.912 N/A LYS 76.A N ASP 73.A O no hydrogen 3.148 N/A LYS 76.A NZ TYR 71.A O no hydrogen 3.359 N/A GLN 77.A N GLN 77.A OE1 no hydrogen 2.808 N/A GLN 77.A NE2 HIS 74.A O no hydrogen 3.583 N/A HIS 78.A N MET 75.A O no hydrogen 2.938 N/A ASP 79.A N LYS 76.A O no hydrogen 3.398 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 3.281 N/A LYS 82.A NZ CYS 67.A O no hydrogen 2.932 N/A LYS 82.A NZ SER 69.A O no hydrogen 2.773 N/A LYS 82.A NZ ASP 79.A OD2 no hydrogen 2.916 N/A SER 83.A OG ASP 79.A O no hydrogen 3.494 N/A SER 83.A OG PHE 80.A O no hydrogen 2.624 N/A ALA 84.A N PHE 80.A O no hydrogen 3.242 N/A MET 85.A N LYS 82.A O no hydrogen 3.198 N/A GLU 87.A N GLU 87.A OE2 no hydrogen 2.917 N/A GLY 88.A N ALA 84.A O no hydrogen 2.706 N/A TYR 89.A N VAL 109.A O no hydrogen 2.861 N/A VAL 90.A N THR 183.A O no hydrogen 2.854 N/A GLN 91.A N ALA 107.A O no hydrogen 2.814 N/A GLU 92.A N GLN 181.A O no hydrogen 2.898 N/A ALA 93.A N THR 105.A O no hydrogen 2.996 N/A THR 94.A N TYR 179.A O no hydrogen 2.986 N/A ILE 95.A N TYR 103.A O no hydrogen 2.918 N/A SER 96.A N ASP 177.A O no hydrogen 2.826 N/A PHE 97.A N GLY 101.A O no hydrogen 2.922 N/A LYS 98.A N LEU 175.A O no hydrogen 3.016 N/A LYS 98.A NZ ASP 99.A OD2 no hydrogen 3.213 N/A ASP 100.A N PHE 97.A O no hydrogen 3.049 N/A GLY 101.A N ASP 100.A OD1 no hydrogen 2.925 N/A ASN 102.A N ILE 125.A O no hydrogen 3.034 N/A TYR 103.A N ILE 95.A O no hydrogen 2.825 N/A TYR 103.A OH THR 56.A OG1 no hydrogen 2.931 N/A LYS 104.A N LYS 123.A O no hydrogen 2.788 N/A THR 105.A N ALA 93.A O no hydrogen 2.754 N/A THR 105.A OG1 TYR 63.A OH no hydrogen 2.806 N/A THR 105.A OG1 ALA 93.A O no hydrogen 3.073 N/A ARG 106.A N GLU 121.A O no hydrogen 3.064 N/A ALA 107.A N GLN 91.A O no hydrogen 2.754 N/A GLU 108.A N ARG 119.A O no hydrogen 2.891 N/A VAL 109.A N TYR 89.A O no hydrogen 2.946 N/A LYS 110.A N VAL 117.A O no hydrogen 3.203 N/A PHE 111.A N PRO 86.A O no hydrogen 3.020 N/A GLU 112.A N THR 115.A O no hydrogen 2.809 N/A LEU 116.A N PRO 10.A O no hydrogen 3.030 N/A VAL 117.A N LYS 110.A O no hydrogen 2.859 N/A ASN 118.A N LEU 12.A O no hydrogen 2.852 N/A ASN 118.A ND2 GLY 64.A O no hydrogen 3.283 N/A ARG 119.A N GLU 108.A O no hydrogen 2.995 N/A ARG 119.A NH2 GLU 108.A OE1 no hydrogen 3.059 N/A ARG 119.A NH2 GLU 108.A OE2 no hydrogen 3.156 N/A ILE 120.A N GLU 14.A O no hydrogen 2.776 N/A GLU 121.A N ARG 106.A O no hydrogen 2.890 N/A LEU 122.A N ASP 16.A O no hydrogen 2.906 N/A LYS 123.A N LYS 104.A O no hydrogen 2.902 N/A GLY 124.A N ASP 18.A O no hydrogen 2.686 N/A ILE 125.A N ASN 102.A O no hydrogen 2.933 N/A LYS 128.A N ASP 100.A OD1 no hydrogen 2.927 N/A LYS 128.A NZ ASP 99.A O no hydrogen 2.838 N/A GLY 131.A N LYS 128.A O no hydrogen 3.007 N/A ASN 132.A ND2 GLN 174.A OE1 no hydrogen 2.807 N/A GLY 135.A N GLY 131.A O no hydrogen 3.089 N/A HIS 136.A N ILE 133.A O no hydrogen 3.171 N/A LYS 137.A N ASN 132.A O no hydrogen 3.116 N/A LYS 137.A NZ ASP 130.A O no hydrogen 2.863 N/A GLU 139.A N ASN 167.A O no hydrogen 2.805 N/A TYR 140.A OH SER 205.A O no hydrogen 2.638 N/A ASN 141.A N GLU 139.A O no hydrogen 3.015 N/A ASN 141.A ND2 GLU 139.A OE1 no hydrogen 2.988 N/A TYR 142.A OH HIS 145.A NE2 no hydrogen 2.892 N/A ASN 143.A ND2 ASN 167.A OD1 no hydrogen 3.454 N/A HIS 145.A N THR 200.A O no hydrogen 3.126 N/A HIS 145.A ND1 ASN 146.A O no hydrogen 3.114 N/A ASN 146.A ND2 TYR 148.A OH no hydrogen 3.170 N/A VAL 147.A N LEU 198.A O no hydrogen 2.837 N/A TYR 148.A N ASN 161.A O no hydrogen 3.118 N/A ILE 149.A N HIS 196.A O no hydrogen 2.824 N/A THR 150.A N LYS 159.A O no hydrogen 2.958 N/A THR 150.A OG1 ASN 195.A OD1 no hydrogen 2.968 N/A ASP 152.A N GLY 157.A O no hydrogen 2.859 N/A LYS 155.A NZ GLN 181.A OE1 no hydrogen 3.458 N/A ASN 156.A N LYS 153.A O no hydrogen 3.424 N/A GLY 157.A N ASP 152.A O no hydrogen 2.991 N/A ILE 158.A N ASN 182.A O no hydrogen 3.188 N/A LYS 159.A N THR 150.A O no hydrogen 2.909 N/A ALA 160.A N GLN 180.A O no hydrogen 2.850 N/A ASN 161.A N TYR 148.A O no hydrogen 2.898 N/A ASN 161.A ND2 ASP 177.A OD1 no hydrogen 3.397 N/A ASN 161.A ND2 ASP 177.A OD2 no hydrogen 3.354 N/A ASN 161.A ND2 HIS 178.A O no hydrogen 2.961 N/A PHE 162.A N HIS 178.A O no hydrogen 3.238 N/A LYS 163.A NZ ASP 177.A OD2 no hydrogen 2.897 N/A ILE 164.A N ALA 176.A O no hydrogen 2.676 N/A ARG 165.A NH1 LYS 163.A O no hydrogen 2.854 N/A HIS 166.A N GLN 174.A O no hydrogen 2.914 N/A ASN 167.A ND2 ASN 141.A OD1 no hydrogen 2.885 N/A ASN 167.A ND2 ASN 143.A OD1 no hydrogen 2.847 N/A ILE 168.A N SER 172.A O no hydrogen 2.859 N/A GLU 169.A N LYS 137.A O no hydrogen 2.987 N/A GLY 171.A N ILE 168.A O no hydrogen 3.051 N/A SER 172.A N ASP 170.A OD1 no hydrogen 3.033 N/A GLN 174.A N HIS 166.A O no hydrogen 2.709 N/A GLN 174.A NE2 LYS 98.A O no hydrogen 2.960 N/A GLN 174.A NE2 LEU 175.A O no hydrogen 2.991 N/A ALA 176.A N ILE 164.A O no hydrogen 2.973 N/A ASP 177.A N SER 96.A O no hydrogen 2.912 N/A HIS 178.A N PHE 162.A O no hydrogen 3.036 N/A TYR 179.A N THR 94.A O no hydrogen 3.012 N/A GLN 180.A N ALA 160.A O no hydrogen 2.688 N/A GLN 180.A NE2 GLN 66.A OE1 no hydrogen 2.825 N/A GLN 180.A NE2 ASN 182.A OD1 no hydrogen 2.765 N/A GLN 181.A N GLU 92.A O no hydrogen 2.890 N/A ASN 182.A N ILE 158.A O no hydrogen 2.913 N/A ASN 182.A ND2 GLN 91.A OE1 no hydrogen 3.327 N/A THR 183.A N VAL 90.A O no hydrogen 2.917 N/A ILE 185.A N GLY 88.A O no hydrogen 2.954 N/A LEU 191.A N SER 83.A OG no hydrogen 3.081 N/A ASP 194.A N HIS 78.A ND1 no hydrogen 3.338 N/A HIS 196.A N ILE 149.A O no hydrogen 3.235 N/A HIS 196.A ND1 ASP 194.A O no hydrogen 2.990 N/A HIS 196.A NE2 TYR 71.A OH no hydrogen 2.676 N/A TYR 197.A N ALA 224.A O no hydrogen 2.982 N/A LEU 198.A N VAL 147.A O no hydrogen 2.957 N/A SER 199.A N THR 222.A O no hydrogen 2.671 N/A THR 200.A N HIS 145.A O no hydrogen 2.836 N/A THR 200.A OG1 HIS 145.A O no hydrogen 2.930 N/A GLN 201.A N PHE 220.A O no hydrogen 3.078 N/A SER 202.A OG GLU 219.A OE2 no hydrogen 3.185 N/A ALA 203.A N LEU 218.A O no hydrogen 2.927 N/A SER 205.A N VAL 216.A O no hydrogen 2.916 N/A LYS 206.A NZ HIS 214.A O no hydrogen 2.815 N/A ASP 207.A N HIS 214.A NE2 no hydrogen 2.823 N/A ASN 209.A N ASP 207.A OD1 no hydrogen 3.177 N/A GLU 210.A N ASP 207.A O no hydrogen 3.099 N/A ARG 212.A N GLU 210.A OE2 no hydrogen 3.122 N/A ARG 212.A NE GLU 210.A OE2 no hydrogen 2.734 N/A ARG 212.A NH2 GLU 210.A OE1 no hydrogen 2.770 N/A ARG 212.A NH2 GLU 210.A OE2 no hydrogen 3.489 N/A HIS 214.A ND1 ARG 212.A O no hydrogen 2.831 N/A MET 215.A N PHE 43.A O no hydrogen 2.828 N/A VAL 216.A N SER 205.A O no hydrogen 3.062 N/A LEU 217.A N LEU 41.A O no hydrogen 2.765 N/A LEU 218.A N ALA 203.A O no hydrogen 3.098 N/A GLU 219.A N LEU 39.A O no hydrogen 2.855 N/A PHE 220.A N GLN 201.A O no hydrogen 2.974 N/A VAL 221.A N GLY 37.A O no hydrogen 2.904 N/A THR 222.A N SER 199.A O no hydrogen 2.948 N/A ALA 223.A N ARG 70.A O no hydrogen 2.857 N/A ALA 224.A N TYR 197.A O no hydrogen 2.838 N/A