Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N LYS 1.A O no hydrogen 3.353 N/A VAL 6.A N GLU 2.A O no hydrogen 3.351 N/A GLU 7.A N PHE 3.A O no hydrogen 2.938 N/A GLU 8.A N GLN 4.A O no hydrogen 2.894 N/A GLU 9.A N SER 5.A O no hydrogen 3.091 N/A MET 10.A N VAL 6.A O no hydrogen 2.967 N/A GLN 11.A N GLU 7.A O no hydrogen 2.903 N/A GLN 11.A NE2 TYR 30.A O no hydrogen 2.909 N/A SER 12.A N GLU 8.A O no hydrogen 2.876 N/A SER 12.A OG GLU 8.A O no hydrogen 2.929 N/A THR 13.A OG1 GLU 9.A O no hydrogen 2.750 N/A THR 13.A OG1 SER 103.A OG no hydrogen 3.352 N/A VAL 14.A N GLN 11.A O no hydrogen 3.463 N/A ARG 15.A N SER 104.A OG no hydrogen 2.939 N/A ARG 15.A NH1 SER 12.A O no hydrogen 3.028 N/A ARG 15.A NH1 VAL 14.A O no hydrogen 2.781 N/A HIS 17.A NE2 SER 104.A OG no hydrogen 2.874 N/A GLY 20.A N HIS 17.A O no hydrogen 3.095 N/A GLY 21.A N ASP 19.A OD1 no hydrogen 2.959 N/A HIS 22.A N ASP 19.A O no hydrogen 3.337 N/A ALA 23.A N ASP 19.A OD2 no hydrogen 2.744 N/A GLY 25.A N GLY 21.A O no hydrogen 2.885 N/A ILE 26.A N SER 126.A OG no hydrogen 3.063 N/A ARG 29.A NE TYR 30.A O no hydrogen 3.013 N/A ARG 29.A NH2 TYR 30.A O no hydrogen 2.919 N/A TYR 30.A N GLN 11.A OE1 no hydrogen 2.923 N/A TYR 30.A OH SER 103.A OG no hydrogen 2.945 N/A ASN 31.A N GLN 193.A O no hydrogen 2.874 N/A ASN 31.A ND2 GLN 193.A OE1 no hydrogen 3.203 N/A LEU 33.A N THR 191.A O no hydrogen 2.847 N/A LYS 34.A N THR 191.A O no hydrogen 3.023 N/A GLN 36.A N LEU 189.A O no hydrogen 2.842 N/A LYS 37.A NZ GLU 2.A OE2 no hydrogen 2.867 N/A VAL 38.A N GLU 187.A O no hydrogen 2.825 N/A CYS 39.A SG LYS 37.A O no hydrogen 3.828 N/A ASN 40.A N TYR 185.A OH no hydrogen 3.050 N/A ASN 40.A ND2 ILE 78.A O no hydrogen 3.002 N/A ASN 40.A ND2 HIS 79.A O no hydrogen 3.145 N/A LEU 43.A N ASN 40.A OD1 no hydrogen 3.178 N/A TRP 44.A N ASN 40.A O no hydrogen 2.858 N/A GLU 45.A N LYS 41.A O no hydrogen 3.017 N/A ARG 46.A N LYS 42.A O no hydrogen 3.180 N/A ARG 46.A NH1 LYS 80.A O no hydrogen 3.302 N/A ARG 46.A NH2 PHE 82.A O no hydrogen 3.288 N/A TYR 47.A N LEU 43.A O no hydrogen 3.000 N/A TYR 47.A OH GLU 64.A OE1 no hydrogen 2.702 N/A TYR 47.A OH THR 140.A OG1 no hydrogen 2.749 N/A THR 48.A N TRP 44.A O no hydrogen 2.812 N/A THR 48.A OG1 TRP 44.A O no hydrogen 3.017 N/A THR 48.A OG1 GLU 45.A O no hydrogen 3.181 N/A HIS 49.A N GLU 45.A O no hydrogen 2.881 N/A ARG 50.A N ARG 46.A O no hydrogen 3.314 N/A ARG 50.A NE GLN 183.A OE1 no hydrogen 2.853 N/A ARG 50.A NH1 GLU 53.A OE1 no hydrogen 3.411 N/A ARG 50.A NH2 GLN 183.A OE1 no hydrogen 2.888 N/A ARG 51.A N TYR 47.A O no hydrogen 2.817 N/A ARG 51.A NH1 GLU 64.A OE1 no hydrogen 2.816 N/A LYS 52.A N THR 48.A O no hydrogen 3.037 N/A LYS 52.A NZ GLU 56.A OE1 no hydrogen 2.827 N/A GLU 53.A N HIS 49.A O no hydrogen 3.280 N/A VAL 54.A N ARG 50.A O no hydrogen 2.939 N/A SER 55.A N ARG 51.A O no hydrogen 2.943 N/A SER 55.A OG ARG 51.A O no hydrogen 2.852 N/A GLU 56.A N LYS 52.A O no hydrogen 3.131 N/A GLU 57.A N GLU 53.A O no hydrogen 3.319 N/A GLU 57.A N VAL 54.A O no hydrogen 3.014 N/A ASN 58.A N SER 55.A O no hydrogen 3.059 N/A ASN 58.A ND2 HIS 61.A O no hydrogen 2.757 N/A HIS 61.A N ASN 58.A O no hydrogen 2.978 N/A ASN 63.A ND2 GLY 142.A O no hydrogen 2.813 N/A ARG 65.A N VAL 139.A O no hydrogen 2.878 N/A ARG 65.A NH1 GLU 101.A OE1 no hydrogen 3.352 N/A ARG 65.A NH2 GLU 101.A OE1 no hydrogen 2.986 N/A LEU 67.A N CYS 137.A O no hydrogen 2.822 N/A PHE 68.A N ALA 100.A O no hydrogen 2.770 N/A HIS 69.A N LEU 135.A O no hydrogen 2.944 N/A HIS 69.A ND1 TYR 98.A O no hydrogen 2.741 N/A PHE 73.A N SER 71.A OG no hydrogen 3.040 N/A ILE 77.A N PHE 73.A O no hydrogen 3.069 N/A ILE 78.A N VAL 74.A O no hydrogen 2.943 N/A HIS 79.A ND1 ASN 75.A O no hydrogen 2.580 N/A LYS 80.A N ALA 76.A O no hydrogen 2.799 N/A GLY 81.A N ILE 77.A O no hydrogen 2.761 N/A GLU 84.A N GLU 84.A OE2 no hydrogen 2.832 N/A ARG 85.A N ASP 83.A OD1 no hydrogen 3.251 N/A ARG 85.A NE ASP 83.A OD1 no hydrogen 2.895 N/A ARG 85.A NE ASP 83.A OD2 no hydrogen 3.293 N/A ARG 85.A NH2 ASP 83.A OD2 no hydrogen 3.254 N/A HIS 86.A N ASP 83.A O no hydrogen 3.123 N/A ALA 87.A N GLU 84.A O no hydrogen 3.026 N/A GLY 91.A N TYR 88.A O no hydrogen 3.362 N/A PHE 93.A N TYR 98.A OH no hydrogen 2.832 N/A GLY 94.A N GLY 91.A O no hydrogen 2.958 N/A ALA 95.A N MET 153.A O no hydrogen 2.861 N/A GLY 96.A N GLY 94.A O no hydrogen 2.825 N/A ILE 97.A N ILE 178.A O no hydrogen 2.816 N/A TYR 98.A OH GLY 94.A O no hydrogen 2.798 N/A PHE 99.A N TYR 176.A O no hydrogen 2.783 N/A ALA 100.A N PHE 68.A O no hydrogen 2.974 N/A ASN 102.A ND2 THR 13.A O no hydrogen 2.957 N/A SER 103.A N THR 13.A OG1 no hydrogen 3.095 N/A SER 103.A OG MET 10.A O no hydrogen 2.604 N/A SER 103.A OG THR 13.A OG1 no hydrogen 3.352 N/A SER 103.A OG TYR 30.A OH no hydrogen 2.945 N/A SER 104.A OG HIS 17.A NE2 no hydrogen 2.874 N/A LYS 105.A N ASN 102.A O no hydrogen 2.995 N/A LYS 105.A NZ LEU 173.A O no hydrogen 3.168 N/A LYS 105.A NZ ALA 174.A O no hydrogen 3.171 N/A LYS 105.A NZ GLU 175.A OE1 no hydrogen 2.741 N/A SER 106.A N ASN 102.A O no hydrogen 3.470 N/A ASN 107.A N SER 103.A O no hydrogen 2.948 N/A ASN 107.A ND2 GLY 24.A O no hydrogen 3.034 N/A GLN 108.A N LYS 105.A O no hydrogen 3.218 N/A TYR 109.A N SER 106.A O no hydrogen 3.114 N/A GLY 112.A N TYR 109.A O no hydrogen 3.332 N/A GLY 115.A N GLY 112.A O no hydrogen 2.975 N/A GLY 116.A N ILE 113.A O no hydrogen 3.263 N/A GLY 118.A N GLY 115.A O no hydrogen 3.005 N/A CYS 119.A N ASP 124.A O no hydrogen 3.222 N/A CYS 119.A SG HIS 122.A ND1 no hydrogen 3.842 N/A CYS 119.A SG ASP 124.A O no hydrogen 3.712 N/A LYS 123.A N CYS 119.A O no hydrogen 3.048 N/A LYS 123.A NZ PRO 120.A O no hydrogen 2.933 N/A ARG 125.A NE HIS 22.A O no hydrogen 2.901 N/A ARG 125.A NH1 GLY 116.A O no hydrogen 2.853 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.887 N/A SER 126.A OG TYR 128.A OH no hydrogen 3.230 N/A CYS 127.A N ASP 124.A O no hydrogen 3.391 N/A CYS 127.A SG HIS 122.A ND1 no hydrogen 3.471 N/A TYR 128.A OH ILE 26.A O no hydrogen 2.691 N/A CYS 130.A SG HIS 122.A ND1 no hydrogen 3.505 N/A ARG 132.A N TYR 192.A O no hydrogen 2.621 N/A ARG 132.A NH1 GLY 24.A O no hydrogen 2.926 N/A ARG 132.A NH1 ASN 107.A OD1 no hydrogen 3.185 N/A ARG 132.A NH2 ARG 125.A O no hydrogen 2.747 N/A ARG 132.A NH2 CYS 127.A O no hydrogen 3.195 N/A GLN 133.A NE2 THR 191.A OG1 no hydrogen 3.228 N/A LEU 134.A N ILE 190.A O no hydrogen 2.969 N/A LEU 135.A N HIS 69.A O no hydrogen 3.019 N/A PHE 136.A N TYR 188.A O no hydrogen 2.871 N/A CYS 137.A N LEU 67.A O no hydrogen 2.735 N/A ARG 138.A N TYR 185.A O no hydrogen 2.993 N/A ARG 138.A NE GLU 187.A OE1 no hydrogen 2.854 N/A ARG 138.A NH1 GLU 64.A OE2 no hydrogen 2.932 N/A ARG 138.A NH2 GLU 187.A OE1 no hydrogen 3.252 N/A ARG 138.A NH2 GLU 187.A OE2 no hydrogen 3.129 N/A VAL 139.A N ARG 65.A O no hydrogen 2.794 N/A THR 140.A N GLN 183.A O no hydrogen 2.786 N/A THR 140.A OG1 TYR 47.A OH no hydrogen 2.749 N/A LEU 141.A N ASN 63.A O no hydrogen 3.079 N/A GLY 142.A N ALA 62.A O no hydrogen 2.919 N/A LYS 143.A N HIS 161.A ND1 no hydrogen 2.994 N/A LYS 143.A NZ ASN 58.A OD1 no hydrogen 3.198 N/A LYS 143.A NZ HIS 59.A NE2 no hydrogen 3.477 N/A SER 144.A OG SER 162.A OG no hydrogen 2.799 N/A SER 144.A OG THR 164.A OG1 no hydrogen 2.619 N/A PHE 145.A N SER 162.A O no hydrogen 2.810 N/A GLN 147.A N THR 164.A O no hydrogen 2.910 N/A GLN 147.A NE2 SER 149.A O no hydrogen 3.174 N/A MET 151.A N MET 92.A O no hydrogen 3.051 N/A LYS 152.A NZ GLY 90.A O no hydrogen 3.342 N/A HIS 160.A N PRO 157.A O no hydrogen 2.968 N/A HIS 160.A ND1 PRO 158.A O no hydrogen 2.938 N/A HIS 161.A N LYS 143.A O no hydrogen 2.863 N/A HIS 161.A NE2 GLU 57.A OE1 no hydrogen 2.916 N/A SER 162.A OG LEU 141.A O no hydrogen 2.644 N/A SER 162.A OG SER 144.A OG no hydrogen 2.799 N/A VAL 163.A N VAL 177.A O no hydrogen 2.918 N/A THR 164.A N PHE 145.A O no hydrogen 2.776 N/A THR 164.A OG1 SER 144.A OG no hydrogen 2.619 N/A GLY 165.A N GLU 175.A O no hydrogen 2.725 N/A ARG 166.A N GLN 147.A O no hydrogen 2.857 N/A SER 168.A N LEU 171.A O no hydrogen 3.233 N/A GLU 175.A N GLY 165.A O no hydrogen 3.131 N/A TYR 176.A N PHE 99.A O no hydrogen 2.890 N/A TYR 176.A OH GLU 101.A OE1 no hydrogen 2.896 N/A VAL 177.A N VAL 163.A O no hydrogen 2.811 N/A ILE 178.A N ILE 97.A O no hydrogen 3.041 N/A TYR 179.A OH PHE 93.A O no hydrogen 2.546 N/A ARG 180.A NH2 GLU 182.A OE2 no hydrogen 3.136 N/A GLY 181.A N GLU 84.A OE2 no hydrogen 2.933 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.823 N/A GLN 183.A N ARG 180.A O no hydrogen 3.102 N/A GLN 183.A NE2 THR 140.A O no hydrogen 3.055 N/A GLN 183.A NE2 HIS 161.A O no hydrogen 2.882 N/A TYR 185.A N ARG 138.A O no hydrogen 2.840 N/A TYR 185.A OH VAL 38.A O no hydrogen 2.651 N/A TYR 188.A N PHE 136.A O no hydrogen 2.944 N/A TYR 188.A OH GLU 2.A OE2 no hydrogen 2.500 N/A LEU 189.A N GLN 36.A O no hydrogen 2.759 N/A ILE 190.A N LEU 134.A O no hydrogen 2.887 N/A THR 191.A N LYS 34.A O no hydrogen 2.735 N/A TYR 192.A N ARG 132.A O no hydrogen 2.855 N/A TYR 192.A OH ASN 107.A OD1 no hydrogen 2.644 N/A GLN 193.A N ASN 31.A O no hydrogen 3.074 N/A GLN 193.A NE2 ILE 129.A O no hydrogen 2.933 N/A MET 195.A N ARG 29.A O no hydrogen 3.117 N/A