Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nqe_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 25.A OD2 no hydrogen 3.497 N/A GLY 2.A N ASP 25.A OD1 no hydrogen 2.899 N/A THR 4.A N ALA 23.A O no hydrogen 2.932 N/A GLN 5.A NE2 TYR 88.A O no hydrogen 2.952 N/A GLN 5.A NE2 SER 109.A OG no hydrogen 2.984 N/A THR 6.A N GLN 21.A O no hydrogen 3.168 N/A LYS 8.A NZ GLU 107.A OE1 no hydrogen 2.688 N/A GLN 10.A N ARG 110.A O no hydrogen 2.901 N/A GLN 10.A NE2 VAL 11.A O no hydrogen 2.896 N/A LEU 12.A N THR 112.A O no hydrogen 2.844 N/A LYS 13.A N GLN 16.A OE1 no hydrogen 2.950 N/A THR 14.A N LEU 114.A O no hydrogen 2.778 N/A THR 14.A OG1 LEU 114.A O no hydrogen 3.459 N/A THR 14.A OG1 GLU 115.A OE2 no hydrogen 2.601 N/A GLY 15.A N ALA 80.A O no hydrogen 2.887 N/A GLN 16.A N LYS 13.A O no hydrogen 3.056 N/A SER 17.A OG GLU 78.A O no hydrogen 2.699 N/A SER 17.A OG GLU 78.A OE2 no hydrogen 3.442 N/A MET 18.A N LEU 77.A O no hydrogen 2.828 N/A LEU 20.A N LEU 75.A O no hydrogen 2.692 N/A GLN 21.A N THR 6.A O no hydrogen 3.088 N/A ALA 23.A N THR 4.A O no hydrogen 2.911 N/A GLN 24.A N ARG 71.A O no hydrogen 2.909 N/A GLN 24.A NE2 HIS 28.A O no hydrogen 3.130 N/A GLN 24.A NE2 LYS 70.A O no hydrogen 3.054 N/A ASP 25.A N GLY 2.A O no hydrogen 3.203 N/A MET 26.A N GLN 24.A OE1 no hydrogen 3.048 N/A HIS 28.A N GLN 24.A OE1 no hydrogen 2.968 N/A HIS 28.A ND1 SER 92.A OG no hydrogen 2.673 N/A ASN 29.A N VAL 94.A O no hydrogen 2.994 N/A ASN 29.A ND2 VAL 94.A O no hydrogen 3.035 N/A SER 30.A N SER 93.A O no hydrogen 3.183 N/A SER 30.A OG ALA 49.A O no hydrogen 2.824 N/A SER 30.A OG THR 96.A OG1 no hydrogen 2.575 N/A MET 31.A N SER 48.A O no hydrogen 2.910 N/A TYR 32.A N ALA 91.A O no hydrogen 2.933 N/A TYR 32.A OH SER 93.A OG no hydrogen 2.903 N/A TRP 33.A N TYR 46.A O no hydrogen 3.033 N/A TRP 33.A NE1 PHE 73.A O no hydrogen 2.878 N/A TYR 34.A N PHE 89.A O no hydrogen 2.786 N/A ARG 35.A N ARG 43.A O no hydrogen 2.975 N/A ARG 35.A NE ASP 37.A OD2 no hydrogen 3.005 N/A ARG 35.A NH1 SER 83.A O no hydrogen 3.303 N/A ARG 35.A NH2 ASP 37.A OD1 no hydrogen 2.936 N/A ARG 35.A NH2 ASP 37.A OD2 no hydrogen 3.514 N/A ARG 35.A NH2 SER 83.A O no hydrogen 2.867 N/A GLN 36.A N VAL 87.A O no hydrogen 2.761 N/A MET 40.A N ASP 37.A O no hydrogen 3.374 N/A ARG 43.A N ARG 35.A O no hydrogen 3.043 N/A ARG 43.A NH2 ASP 37.A OD2 no hydrogen 2.922 N/A ILE 45.A N TRP 33.A O no hydrogen 2.976 N/A TYR 46.A OH TYR 63.A O no hydrogen 3.373 N/A TYR 47.A N ASP 55.A O no hydrogen 2.890 N/A SER 48.A N MET 31.A O no hydrogen 2.753 N/A SER 48.A OG SER 50.A O no hydrogen 3.045 N/A SER 48.A OG THR 53.A O no hydrogen 2.639 N/A THR 53.A N SER 50.A O no hydrogen 3.361 N/A ASP 55.A N TYR 47.A O no hydrogen 2.901 N/A LYS 56.A NZ TYR 46.A OH no hydrogen 3.358 N/A GLY 57.A N ILE 45.A O no hydrogen 2.816 N/A GLU 58.A N LEU 44.A O no hydrogen 2.678 N/A VAL 59.A N LEU 44.A O no hydrogen 2.941 N/A TYR 63.A N PRO 60.A O no hydrogen 3.141 N/A TYR 63.A OH TYR 88.A OH no hydrogen 2.657 N/A ASN 64.A N ARG 76.A O no hydrogen 3.078 N/A SER 66.A N SER 74.A O no hydrogen 3.079 N/A ARG 67.A NE ASN 69.A O no hydrogen 2.920 N/A ARG 67.A NH1 ASN 29.A O no hydrogen 2.968 N/A ARG 67.A NH1 LYS 70.A O no hydrogen 2.808 N/A ARG 67.A NH2 ASN 29.A O no hydrogen 2.928 N/A ARG 67.A NH2 SER 48.A OG no hydrogen 2.721 N/A ASN 69.A ND2 GLU 72.A OE1 no hydrogen 3.039 N/A LYS 70.A NZ ASN 27.A OD1 no hydrogen 2.886 N/A ARG 71.A N ASN 69.A OD1 no hydrogen 2.837 N/A ARG 71.A NH1 GLN 24.A O no hydrogen 3.504 N/A GLU 72.A N ASN 69.A OD1 no hydrogen 3.056 N/A PHE 73.A N CYS 22.A O no hydrogen 2.957 N/A SER 74.A N SER 66.A O no hydrogen 2.897 N/A LEU 75.A N LEU 20.A O no hydrogen 2.783 N/A ARG 76.A N ASN 64.A O no hydrogen 2.801 N/A ARG 76.A NE GLU 78.A OE1 no hydrogen 2.764 N/A ARG 76.A NH1 THR 19.A OG1 no hydrogen 2.948 N/A ARG 76.A NH2 GLU 78.A OE1 no hydrogen 2.809 N/A LEU 77.A N MET 18.A O no hydrogen 2.833 N/A ALA 80.A N GLN 16.A O no hydrogen 2.793 N/A ALA 81.A N GLN 84.A OE1 no hydrogen 2.902 N/A GLN 84.A N ALA 81.A O no hydrogen 2.816 N/A GLN 84.A NE2 GLY 62.A O no hydrogen 3.109 N/A THR 85.A N PRO 82.A O no hydrogen 3.193 N/A THR 85.A OG1 PRO 82.A O no hydrogen 2.969 N/A SER 86.A N LEU 111.A O no hydrogen 2.983 N/A SER 86.A OG GLN 36.A O no hydrogen 3.111 N/A SER 86.A OG ASP 37.A OD1 no hydrogen 2.937 N/A SER 86.A OG VAL 87.A O no hydrogen 3.414 N/A VAL 87.A N GLN 36.A O no hydrogen 3.399 N/A TYR 88.A N SER 109.A O no hydrogen 2.834 N/A TYR 88.A OH TYR 63.A OH no hydrogen 2.657 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.584 N/A PHE 89.A N TYR 34.A O no hydrogen 2.811 N/A CYS 90.A N GLN 5.A OE1 no hydrogen 2.956 N/A CYS 90.A SG TYR 32.A O no hydrogen 3.712 N/A ALA 91.A N TYR 32.A O no hydrogen 2.930 N/A SER 92.A N PHE 104.A O no hydrogen 2.849 N/A SER 92.A OG HIS 28.A ND1 no hydrogen 2.673 N/A SER 93.A N SER 30.A O no hydrogen 3.057 N/A SER 93.A OG TYR 32.A OH no hydrogen 2.903 N/A SER 93.A OG TRP 95.A O no hydrogen 2.873 N/A THR 96.A OG1 SER 30.A OG no hydrogen 2.575 N/A THR 96.A OG1 ALA 49.A O no hydrogen 3.404 N/A SER 100.A N GLU 98.A OE2 no hydrogen 3.032 N/A SER 100.A OG GLU 98.A OE1 no hydrogen 3.338 N/A SER 100.A OG GLU 98.A OE2 no hydrogen 2.600 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.931 N/A PHE 104.A N SER 92.A O no hydrogen 2.772 N/A GLY 106.A N CYS 90.A O no hydrogen 2.724 N/A SER 109.A N TYR 88.A O no hydrogen 2.835 N/A SER 109.A OG PRO 7.A O no hydrogen 2.609 N/A ARG 110.A N LYS 8.A O no hydrogen 2.750 N/A LEU 111.A N SER 86.A O no hydrogen 2.944 N/A THR 112.A N GLN 10.A O no hydrogen 2.930 N/A THR 112.A OG1 HIS 154.A NE2 no hydrogen 2.829 N/A VAL 113.A N THR 85.A OG1 no hydrogen 2.902 N/A LEU 114.A N LEU 12.A O no hydrogen 2.744 N/A LYS 118.A N ASP 116.A OD1 no hydrogen 2.953 N/A VAL 120.A N LEU 117.A O no hydrogen 3.067 N/A PHE 121.A N TYR 151.A O no hydrogen 2.868 N/A GLU 124.A N THR 148.A O no hydrogen 3.036 N/A ALA 126.A N LEU 146.A O no hydrogen 3.042 N/A PHE 128.A N VAL 144.A O no hydrogen 2.783 N/A GLU 134.A N SER 131.A OG no hydrogen 2.994 N/A ILE 135.A N SER 131.A O no hydrogen 3.237 N/A SER 136.A N GLU 132.A O no hydrogen 3.152 N/A SER 136.A OG GLU 132.A O no hydrogen 3.234 N/A SER 136.A OG ALA 133.A O no hydrogen 3.077 N/A HIS 137.A N ALA 133.A O no hydrogen 2.984 N/A THR 138.A N GLU 134.A O no hydrogen 2.821 N/A THR 138.A OG1 GLU 134.A O no hydrogen 2.757 N/A GLN 139.A N ILE 135.A O no hydrogen 2.907 N/A LYS 140.A N THR 138.A OG1 no hydrogen 3.207 N/A LYS 140.A NZ THR 138.A O no hydrogen 3.360 N/A ALA 141.A N VAL 196.A O no hydrogen 2.801 N/A THR 142.A N GLU 134.A OE1 no hydrogen 2.910 N/A THR 142.A OG1 GLU 134.A OE1 no hydrogen 3.342 N/A THR 142.A OG1 GLU 134.A OE2 no hydrogen 2.512 N/A LEU 143.A N LEU 194.A O no hydrogen 2.902 N/A VAL 144.A N PHE 128.A O no hydrogen 2.992 N/A CYS 145.A N SER 192.A O no hydrogen 2.892 N/A CYS 145.A SG ALA 126.A O no hydrogen 3.994 N/A LEU 146.A N ALA 126.A O no hydrogen 2.961 N/A ALA 147.A N LEU 190.A O no hydrogen 2.872 N/A THR 148.A N GLU 124.A O no hydrogen 2.948 N/A GLY 149.A N GLU 179.A OE2 no hydrogen 2.932 N/A PHE 150.A N TYR 188.A O no hydrogen 3.234 N/A TYR 151.A N PHE 121.A O no hydrogen 3.016 N/A HIS 154.A N PRO 152.A O no hydrogen 2.830 N/A HIS 154.A NE2 THR 112.A OG1 no hydrogen 2.829 N/A GLU 156.A N GLN 213.A O no hydrogen 2.898 N/A SER 158.A N GLN 211.A O no hydrogen 2.802 N/A TRP 159.A NE1 SER 192.A OG no hydrogen 2.868 N/A TRP 160.A N ARG 209.A O no hydrogen 2.740 N/A TRP 160.A NE1 SER 158.A OG no hydrogen 2.951 N/A VAL 161.A N LYS 164.A O no hydrogen 2.771 N/A ASN 162.A N HIS 207.A O no hydrogen 2.885 N/A ASN 162.A ND2 ASN 206.A OD1 no hydrogen 2.661 N/A LYS 164.A N VAL 161.A O no hydrogen 3.031 N/A VAL 166.A N TRP 159.A O no hydrogen 3.052 N/A VAL 170.A N HIS 167.A O no hydrogen 3.432 N/A CYS 171.A N ARG 193.A O no hydrogen 2.950 N/A THR 172.A OG1 SER 192.A OG no hydrogen 2.627 N/A ASP 173.A N SER 191.A O no hydrogen 3.046 N/A LEU 177.A N ALA 189.A O no hydrogen 2.749 N/A LYS 178.A NZ LEU 183.A O no hydrogen 3.452 N/A GLU 179.A N ARG 187.A O no hydrogen 3.081 N/A GLN 180.A N SER 186.A OG no hydrogen 2.870 N/A LEU 183.A N GLN 180.A O no hydrogen 3.208 N/A SER 186.A OG GLN 180.A O no hydrogen 3.282 N/A SER 186.A OG ARG 187.A O no hydrogen 2.917 N/A ARG 187.A NE GLY 149.A O no hydrogen 2.688 N/A ARG 187.A NH1 GLY 149.A O no hydrogen 3.010 N/A TYR 188.A N PHE 150.A O no hydrogen 2.661 N/A ALA 189.A N LEU 177.A O no hydrogen 2.850 N/A LEU 190.A N ALA 147.A O no hydrogen 2.763 N/A SER 191.A N ASP 173.A OD2 no hydrogen 2.994 N/A SER 191.A OG ASP 173.A OD1 no hydrogen 3.225 N/A SER 191.A OG ASP 173.A OD2 no hydrogen 2.650 N/A SER 192.A N CYS 145.A O no hydrogen 2.964 N/A SER 192.A OG CYS 171.A O no hydrogen 3.220 N/A SER 192.A OG THR 172.A OG1 no hydrogen 2.627 N/A ARG 193.A N CYS 171.A O no hydrogen 2.771 N/A ARG 193.A NH1 ASP 173.A OD1 no hydrogen 3.235 N/A ARG 193.A NH2 CYS 171.A O no hydrogen 3.550 N/A ARG 193.A NH2 ASP 173.A OD1 no hydrogen 2.830 N/A LEU 194.A N LEU 143.A O no hydrogen 3.063 N/A ARG 195.A N GLY 169.A O no hydrogen 2.793 N/A ARG 195.A NE GLU 134.A OE2 no hydrogen 3.047 N/A ARG 195.A NH2 GLU 134.A OE2 no hydrogen 2.854 N/A VAL 196.A N ALA 141.A O no hydrogen 2.934 N/A SER 197.A OG THR 199.A OG1 no hydrogen 3.264 N/A ALA 198.A N GLN 139.A O no hydrogen 2.896 N/A THR 199.A OG1 SER 197.A OG no hydrogen 3.264 N/A PHE 200.A N SER 197.A OG no hydrogen 3.139 N/A TRP 201.A N SER 197.A O no hydrogen 3.134 N/A GLN 202.A N ALA 198.A O no hydrogen 2.806 N/A ASN 203.A N PHE 200.A O no hydrogen 3.370 N/A ARG 205.A N ASN 203.A OD1 no hydrogen 3.096 N/A ASN 206.A N ASN 203.A O no hydrogen 3.142 N/A ASN 206.A ND2 PHE 200.A O no hydrogen 2.810 N/A HIS 207.A N ASN 162.A OD1 no hydrogen 2.785 N/A HIS 207.A NE2 GLU 238.A OE1 no hydrogen 2.782 N/A PHE 208.A N ALA 239.A O no hydrogen 2.735 N/A ARG 209.A N TRP 160.A O no hydrogen 2.803 N/A CYS 210.A N ALA 237.A O no hydrogen 2.849 N/A GLN 211.A N SER 158.A O no hydrogen 2.733 N/A VAL 212.A N VAL 235.A O no hydrogen 2.792 N/A GLN 213.A N GLU 156.A O no hydrogen 2.871 N/A GLN 213.A NE2 PHE 214.A O no hydrogen 3.245 N/A PHE 214.A N GLN 233.A O no hydrogen 2.742 N/A TYR 215.A N HIS 154.A O no hydrogen 3.081 N/A TYR 215.A OH GLU 156.A OE1 no hydrogen 2.608 N/A GLY 216.A N THR 232.A OG1 no hydrogen 2.811 N/A LEU 217.A N PRO 230.A O no hydrogen 3.046 N/A SER 218.A N ASP 221.A OD2 no hydrogen 2.812 N/A SER 218.A OG ASP 221.A OD2 no hydrogen 3.347 N/A ASP 221.A N SER 218.A O no hydrogen 3.138 N/A TRP 223.A NE1 ARG 227.A O no hydrogen 2.923 N/A ARG 227.A NH1 VAL 120.A O no hydrogen 2.907 N/A ARG 227.A NH2 LYS 118.A O no hydrogen 2.686 N/A ARG 227.A NH2 VAL 120.A O no hydrogen 2.842 N/A LYS 229.A NZ SER 218.A O no hydrogen 2.993 N/A LYS 229.A NZ ASP 221.A O no hydrogen 2.739 N/A VAL 231.A N LYS 229.A O no hydrogen 2.849 N/A THR 232.A N LEU 217.A O no hydrogen 3.236 N/A GLN 233.A N PHE 214.A O no hydrogen 3.039 N/A GLN 233.A NE2 VAL 231.A O no hydrogen 2.783 N/A VAL 235.A N VAL 212.A O no hydrogen 2.902 N/A ALA 237.A N CYS 210.A O no hydrogen 2.957 N/A ALA 239.A N PHE 208.A O no hydrogen 2.766 N/A GLY 241.A N ASN 206.A O no hydrogen 2.912 N/A ARG 242.A N TRP 201.A O no hydrogen 2.948 N/A ARG 242.A NE GLU 129.A OE1 no hydrogen 3.215 N/A ARG 242.A NH2 GLU 129.A OE1 no hydrogen 3.187 N/A